A0A096MQ70_PAPAN Loading...

Carboxypeptidase

May be involved in the digestion of phagocytosed particles in the lysosome, participation in an inflammatory protease cascade, and trimming of peptides for antigen presentation.

AlphaFold DB , UniProt , Accession A0A096MQ70, Species PAPAN (Papio anubis, Olive baboon), Gene CPVL, Length 476 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	29.9	Very low	237 Å²	237	150.8 Å²	150.8	100%	1.167	82%	0.815	S	S	*	*				0	82.4	0	-76	-178.2	-86.9	0	0	106.4
2	V	30.5	Very low	29.6	Very low	152 Å²	152	150.5 Å²	150.5	92%	0.921	81%	0.811	S	S	*	*				63	109.4	82.9	-175.4	0	0	0	0	112.2
3	G	28.3	Very low	29.4	Very low	65 Å²	65	148.1 Å²	148.1	67%	0.67	81%	0.805	S	S	*	*			trans	117.8	133.5	142	0	0	0	0	0	115.3
4	T	32.8	Very low	29.1	Very low	137 Å²	137	147.9 Å²	147.9	84%	0.84	80%	0.801	S	S	*	*			cis	-164.2	120.8	-4.6	-60.7	0	0	0	0	105.8
5	M	29.5	Very low	28.9	Very low	169 Å²	169	148.4 Å²	148.4	83%	0.833	80%	0.802	S	S	*	*			trans	-75.5	126	167.4	-83.3	170.1	65.9	0	0	108.9	K7	M5-K7 PolarHBondContact O-N 3.41Å
6	W	28.5	Very low	28.7	Very low	254 Å²	254	146.7 Å²	146.7	96%	0.962	80%	0.798	S	S	*	*			trans	-73.9	106.5	169.8	-143.2	-23.6	0	0	0	108.5
7	K	28.1	Very low	28.7	Very low	169 Å²	169	145.2 Å²	145.2	74%	0.735	80%	0.797	S	S	*	*			trans	-83.7	117.5	166.8	-74.3	-178	175.8	-178.9	0	108	M5 I9	M5-K7 PolarHBondContact O-N 3.41Å; K7-I9 PolarHBondContact O-N 3.04Å
8	V	29.6	Very low	28.7	Very low	125 Å²	125	140.6 Å²	140.6	76%	0.758	79%	0.788	S	S	*	*			trans	-74.3	111.5	163.7	176.3	0	0	0	0	106.8	V10	V8-V10 HydrophobicContact CG1-CG2 4.2Å; V8-V10 PolarHBondContact O-N 3.16Å
9	I	28.7	Very low	29.2	Very low	144 Å²	144	139.3 Å²	139.3	74%	0.738	79%	0.787	S	S	*	*			trans	-81.4	103.9	168.8	-65.6	174.1	0	0	0	106.2	K7 S11	K7-I9 PolarHBondContact O-N 3.04Å; I9-S11 PolarHBondContact O-N 2.89Å
10	V	29.3	Very low	29.7	Very low	112 Å²	112	136.6 Å²	136.6	68%	0.679	78%	0.776	S	S	*	*			trans	-79	101.6	161.8	177.5	0	0	0	0	106	V8 L12	V8-V10 HydrophobicContact CG1-CG2 4.2Å; V8-V10 PolarHBondContact O-N 3.16Å; V10-L12 PolarHBondContact O-N 3.15Å
11	S	26.4	Very low	30.3	Very low	95 Å²	95	134 Å²	134	66%	0.664	76%	0.76	S	S	*	*			trans	-67.3	102.5	165.8	-73.8	0	0	0	0	108.1	I9 V13	I9-S11 PolarHBondContact O-N 2.89Å; S11-V13 VanDerWaalsContact C-N 3.35Å; S11-V13 PolarHBondContact O-N 3.41Å
12	L	26.2	Very low	30.4	Very low	147 Å²	147	122.9 Å²	122.9	77%	0.77	71%	0.706	S	S	*	*			trans	-62.1	101	158.8	-107.9	98.3	0	0	0	107.1	V10 L14	V10-L12 PolarHBondContact O-N 3.15Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 3.4Å; L12-L14 VanDerWaalsContact O-N 3.12Å
13	V	27.4	Very low	30.9	Very low	119 Å²	119	116.2 Å²	116.2	72%	0.721	67%	0.665	S	S	*	*			trans	-70.7	100.8	156.7	176.7	0	0	0	0	105.1	S11 L15	S11-V13 VanDerWaalsContact C-N 3.35Å; S11-V13 PolarHBondContact O-N 3.41Å; V13-L15 HydrophobicContact CG1-CG 4.49Å; V13-L15 PolarHBondContact O-N 3.19Å
14	L	25	Very low	31.7	Very low	145 Å²	145	114 Å²	114	76%	0.759	64%	0.637	S	S	*	*			trans	-61.6	93.7	161.3	-82.3	157.7	0	0	0	106.7	L12 V16	L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 3.4Å; L12-L14 VanDerWaalsContact O-N 3.12Å; L14-V16 VanDerWaalsContact C-N 3.28Å; L14-V16 PolarHBondContact O-N 3.05Å
15	L	26.8	Very low	32.2	Very low	156 Å²	156	114.4 Å²	114.4	82%	0.817	62%	0.623	S	S	*	*			trans	-63.9	97.8	159.3	-89.3	154.2	0	0	0	106.2	V13 P17	V13-L15 HydrophobicContact CG1-CG 4.49Å; V13-L15 PolarHBondContact O-N 3.19Å; L15-P17 WeakPolarHBondContact O-CD 3.42Å
16	V	24.7	Very low	32.8	Very low	121 Å²	121	109.3 Å²	109.3	73%	0.733	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-62.9	120.6	163	-179.6	0	0	0	0	106	L14 G18	L14-V16 VanDerWaalsContact C-N 3.28Å; L14-V16 PolarHBondContact O-N 3.05Å; V16-G18 PolarHBondContact O-N 3.37Å
17	P	29.1	Very low	33.6	Very low	121 Å²	121	97.4 Å²	97.4	79%	0.786	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-67.2	117.4	170.2	0.6	13.6	0	0	0	106.9	L15	L15-P17 WeakPolarHBondContact O-CD 3.42Å
18	G	29.4	Very low	34.5	Very low	62 Å²	62	89.6 Å²	89.6	64%	0.639	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-66.4	153.5	165	0	0	0	0	0	110.3	V16	V16-G18 PolarHBondContact O-N 3.37Å
19	P	37.4	Very low	35.6	Very low	117 Å²	117	91.8 Å²	91.8	76%	0.76	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-78.2	133.8	-172	30.3	-31.4	0	0	0	112.8
20	C	40.6	Very low	36.5	Very low	84 Å²	84	87.9 Å²	87.9	57%	0.568	51%	0.506	S	S	*	.			trans	31.8	114.4	153.6	-58	0	0	0	0	118.4	L298	C20-L298 HydrophobicContact CB-CD2 4.35Å; C20-L298 PolarHBondContact SG-O 3.21Å
21	D	42.1	Very low	37.8	Very low	82 Å²	82	84.3 Å²	84.3	44%	0.439	48%	0.484	S	S	.	.			trans	-120.7	126.4	-176.2	-67.8	-27.2	0	0	0	110.8	R25 D297	D21-R25 IonicContact OD2-CZ 3.73Å; D21-R25 IonicContact OD2-NH1 3.84Å; D21-R25 IonicContact OD2-NH2 2.86Å; D21-D297 CarbonylContact O-C 3.53Å
22	G	37.6	Very low	39	Very low	4 Å²	4	84.7 Å²	84.7	4%	0.041	49%	0.487	C	S	.	.			trans	-78.1	177.7	-159.8	0	0	0	0	0	122.5	F24 R25 E356	G22-F24 VanDerWaalsContact C-N 3.32Å; G22-F24 PolarHBondContact O-N 3.45Å; G22-R25 PolarHBondContact O-N 2.97Å; G22-E356 WeakPolarHBondContact CA-OE1 3.17Å; G22-E356 VanDerWaalsContact CA-OE2 3.27Å; G22-E356 WeakPolarHBondContact CA-OE2 3.13Å
23	L	42.7	Very low	40.4	Very low	12 Å²	12	83.6 Å²	83.6	6%	0.063	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-37.4	-20.9	-172.8	-166.7	63.6	0	0	0	120.7	F287 D295 D297 E356	L23-F287 HydrophobicContact CD2-CE2 4.39Å; L23-D295 HydrophobicContact CD1-CB 3.35Å; L23-D295 WeakPolarHBondContact CD1-OD2 3.11Å; L23-D297 VanDerWaalsContact CA-OD1 3.31Å; L23-D297 WeakPolarHBondContact CA-OD1 3.35Å; L23-D297 WeakPolarHBondContact CA-OD2 3.37Å; L23-D297 WeakPolarHBondContact CB-OD2 3.43Å; L23-D297 WeakPolarHBondContact CD1-OD2 3.31Å; L23-D297 VanDerWaalsContact N-CB 3.28Å; L23-D297 PolarHBondContact N-OD2 2.99Å; L23-E356 HydrophobicContact CB-CG 3.9Å; L23-E356 WeakPolarHBondContact CB-OE1 3.11Å; L23-E356 WeakPolarHBondContact CB-OE2 3.22Å; L23-E356 HydrophobicContact CD2-CG 4.36Å; L23-E356 PolarHBondContact N-OE1 3.45Å; L23-E356 PolarHBondContact N-OE2 3.02Å
24	F	43.6	Very low	41.6	Very low	18 Å²	18	79.2 Å²	79.2	8%	0.079	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	16.7	-174.4	-62	-79.4	0	0	0	115.1	G22 S26 L27 Y28 G111 Y315	G22-F24 VanDerWaalsContact C-N 3.32Å; G22-F24 PolarHBondContact O-N 3.45Å; F24-S26 PolarHBondContact O-N 3.48Å; F24-L27 PolarHBondContact O-N 2.73Å; F24-Y28 HydrophobicContact CB-CD2 3.74Å; F24-Y28 HydrophobicContact CB-CE2 4.1Å; F24-Y28 PolarHBondContact O-N 3.11Å; F24-Y28 VanDerWaalsContact O-N 3.16Å; F24-G111 VanDerWaalsContact CD2-CA 3.46Å; F24-G111 WeakPolarHBondContact CE2-O 3.49Å; F24-G111 VanDerWaalsContact CZ-CA 3.43Å; F24-G111 WeakPolarHBondContact CZ-O 2.82Å; F24-Y315 WeakPolarHBondContact CD1-OH 3.24Å; F24-Y315 WeakPolarHBondContact CE1-OH 3.38Å
25	R	42.8	Very low	43.1	Very low	146 Å²	146	76 Å²	76	55%	0.551	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-22.8	-179.1	-152.7	-174.9	-172.3	-169.8	12.2	113.6	D21 G22	D21-R25 IonicContact OD2-CZ 3.73Å; D21-R25 IonicContact OD2-NH1 3.84Å; D21-R25 IonicContact OD2-NH2 2.86Å; G22-R25 PolarHBondContact O-N 2.97Å
26	S	42.7	Very low	45	Very low	63 Å²	63	78.8 Å²	78.8	44%	0.441	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-44.3	178	-165.1	0	0	0	0	112.1	F24 E322	F24-S26 PolarHBondContact O-N 3.48Å; S26-E322 WeakPolarHBondContact CB-OE1 3.5Å; S26-E322 VanDerWaalsContact O-OE2 3.13Å; S26-E322 PolarHBondContact OG-OE1 2.97Å; S26-E322 PolarHBondContact OG-OE2 2.77Å; S26-E322 VanDerWaalsContact OG-OE2 3.11Å
27	L	45.1	Very low	47.4	Very low	4 Å²	4	75.7 Å²	75.7	2%	0.021	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-27.5	-177.3	-73.3	171	0	0	0	114.6	F24 F118 Y315 E322 L327	F24-L27 PolarHBondContact O-N 2.73Å; L27-F118 HydrophobicContact CD2-CE2 3.74Å; L27-F118 HydrophobicContact CD2-CZ 3.81Å; L27-Y315 HydrophobicContact CD1-CD2 4.26Å; L27-Y315 HydrophobicContact CD1-CE1 4.43Å; L27-Y315 HydrophobicContact CD1-CE2 3.42Å; L27-Y315 VanDerWaalsContact CD1-CE2 3.42Å; L27-Y315 WeakPolarHBondContact CD1-OH 3.04Å; L27-Y315 HydrophobicContact CD2-CE2 4.4Å; L27-Y315 HydrophobicContact CG-CE2 3.84Å; L27-E322 HydrophobicContact CD2-CG 4.39Å; L27-E322 WeakPolarHBondContact CD2-OE2 3.25Å; L27-E322 WeakPolarHBondContact CG-OE2 3.3Å; L27-L327 WeakPolarHBondContact O-CD2 3.44Å
28	Y	47.8	Very low	50.2	Low	4 Å²	4	75.3 Å²	75.3	2%	0.016	43%	0.43	C	S	.	.			trans	-126	94.5	-171.6	-50.2	-87	0	0	0	109.2	F24 Q109 F118 Y329 D351	F24-Y28 HydrophobicContact CB-CD2 3.74Å; F24-Y28 HydrophobicContact CB-CE2 4.1Å; F24-Y28 PolarHBondContact O-N 3.11Å; F24-Y28 VanDerWaalsContact O-N 3.16Å; Y28-Q109 WeakPolarHBondContact OH-CG 3.3Å; Y28-F118 HydrophobicContact CE1-CB 3.79Å; Y28-F118 HydrophobicContact CE1-CD2 4.04Å; Y28-F118 HydrophobicContact CE1-CG 4.08Å; Y28-Y329 WeakPolarHBondContact CD1-OH 3.22Å; Y28-D351 WeakPolarHBondContact O-CB 3.16Å
29	R	52	Low	53.1	Low	172 Å²	172	72.7 Å²	72.7	65%	0.649	40%	0.403	S	S	*	.			trans	-85.7	132.1	167	-73.1	-172	-179.6	-165.2	1.2	109.2	V330	R29-V330 WeakPolarHBondContact O-CG1 3.15Å
30	S	49.2	Very low	55.8	Low	62 Å²	62	68.1 Å²	68.1	43%	0.434	38%	0.376	S	S	.	.			trans	-66.5	145.5	172.4	40.5	0	0	0	0	110.5	D351	S30-D351 WeakPolarHBondContact CB-OD2 3.41Å; S30-D351 PolarHBondContact N-OD2 3.38Å; S30-D351 PolarHBondContact OG-OD2 2.99Å
31	V	54.9	Low	58.4	Low	36 Å²	36	71.5 Å²	71.5	22%	0.218	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-113.7	110.7	162.8	174.1	0	0	0	0	107.7	M33 V330 F349	V31-M33 PolarHBondContact O-N 2.61Å; V31-V330 HydrophobicContact CB-CG1 4.43Å; V31-V330 HydrophobicContact CG2-CG1 3.47Å; V31-V330 VanDerWaalsContact CG2-CG1 3.47Å; V31-F349 PolarHBondContact N-O 3.28Å
32	S	52.8	Low	61	Low	104 Å²	104	68.6 Å²	68.6	73%	0.727	37%	0.369	S	S	*	.			trans	-84.3	107.2	174.8	50.4	0	0	0	0	110.3
33	M	54.8	Low	63.9	Low	123 Å²	123	69.4 Å²	69.4	61%	0.606	37%	0.373	S	S	*	.	S	Bend	trans	58.3	140.5	175.1	-63	-137.8	-61.9	0	0	116.6	V31	V31-M33 PolarHBondContact O-N 2.61Å
34	P	53.4	Low	66.6	Low	27 Å²	27	71.2 Å²	71.2	18%	0.175	38%	0.38	C	S	.	.			trans	-61.5	139.8	179.4	23.1	-30.7	0	0	0	110.7	S39 P336	P34-S39 WeakPolarHBondContact CG-OG 3.5Å; P34-P336 HydrophobicContact CB-CG 4.37Å
35	P	56.8	Low	69.2	Low	77 Å²	77	70.4 Å²	70.4	50%	0.5	38%	0.376	S	S	.	.	S	Bend	trans	-56.6	148.9	162.6	25.3	-31.6	0	0	0	109.2	G37 P336	P35-G37 PolarHBondContact O-N 3.42Å; P35-P336 WeakPolarHBondContact O-CG 3.33Å
36	K	65.6	Low	71.9	Confident	216 Å²	216	63.8 Å²	63.8	94%	0.939	35%	0.352	S	S	*	.	S	Bend	trans	-26.6	118.8	-177.1	-65.8	177.9	178	178	0	113.8
37	G	75.3	Confident	74.6	Confident	55 Å²	55	64.2 Å²	64.2	57%	0.567	35%	0.354	S	S	*	.	S	Bend	trans	164.7	165	174.6	0	0	0	0	0	112.1	P35 S39	P35-G37 PolarHBondContact O-N 3.42Å; G37-S39 PolarHBondContact O-N 2.73Å
38	D	87.6	Confident	77.1	Confident	113 Å²	113	67.3 Å²	67.3	60%	0.604	37%	0.366	S	S	*	.			trans	-80.5	115.1	174.8	-175.3	5.9	0	0	0	109.6	G40 P336	D38-G40 PolarHBondContact OD1-N 3.48Å; D38-P336 WeakPolarHBondContact O-CB 3.16Å
39	S	91.2	Very high	79.5	Confident	8 Å²	8	68.1 Å²	68.1	6%	0.056	37%	0.37	C	S	.	.			trans	-99.2	6.7	177.2	-53.7	0	0	0	0	112.7	P34 G37 Q340 G345	P34-S39 WeakPolarHBondContact CG-OG 3.5Å; G37-S39 PolarHBondContact O-N 2.73Å; S39-Q340 VanDerWaalsContact O-CA 3.26Å; S39-Q340 WeakPolarHBondContact O-CA 3.29Å; S39-Q340 PolarHBondContact O-N 3.26Å; S39-G345 WeakPolarHBondContact CB-O 3.33Å; S39-G345 VanDerWaalsContact O-CA 3.24Å; S39-G345 WeakPolarHBondContact O-CA 3.08Å
40	G	93.5	Very high	81.7	Confident	20 Å²	20	65.3 Å²	65.3	21%	0.206	36%	0.364	C	S	.	.			trans	67.7	-162.1	-173.9	0	0	0	0	0	113.7	D38 G345	D38-G40 PolarHBondContact OD1-N 3.48Å; G40-G345 WeakPolarHBondContact O-CA 3.29Å
41	Q	95.2	Very high	84.1	Confident	156 Å²	156	65.1 Å²	65.1	73%	0.729	37%	0.366	S	S	*	.			trans	-113	146.9	177.5	-65.6	-60	-45.7	0	0	110.4
42	P	97.4	Very high	86.1	Confident	21 Å²	21	66.3 Å²	66.3	14%	0.136	39%	0.385	C	S	.	.			trans	-64.8	136.9	174.5	27.1	-32.9	0	0	0	111.2	F44 F77 H343 R347	P42-F44 HydrophobicContact CB-CE2 3.97Å; P42-F44 HydrophobicContact CB-CZ 4.1Å; P42-F44 HydrophobicContact CG-CE2 3.8Å; P42-F44 HydrophobicContact CG-CZ 4.13Å; P42-F77 HydrophobicContact CB-CD2 4.09Å; P42-F77 HydrophobicContact CB-CE2 3.74Å; P42-H343 VanDerWaalsContact CA-O 3.28Å; P42-H343 WeakPolarHBondContact CA-O 3.47Å; P42-R347 HydrophobicContact CB-CG 4.29Å
43	L	98.7	Very high	88.3	Confident	21 Å²	21	67.3 Å²	67.3	11%	0.11	38%	0.377	C	S	.	.			trans	-96.2	115.6	176.1	178.2	65.6	0	0	0	111.1	L45 Y48 L60 F77 H343	L43-L45 HydrophobicContact CD1-CD2 4.33Å; L43-L45 HydrophobicContact CD2-CD2 3.75Å; L43-L45 HydrophobicContact CG-CD2 3.86Å; L43-Y48 HydrophobicContact CD1-CE2 4.09Å; L43-L60 HydrophobicContact CD1-CB 4.06Å; L43-L60 HydrophobicContact CD1-CD1 4.34Å; L43-L60 VanDerWaalsContact CD2-C 3.43Å; L43-L60 HydrophobicContact CD2-CB 3.86Å; L43-L60 VanDerWaalsContact CD2-O 3.31Å; L43-L60 WeakPolarHBondContact CD2-O 3.43Å; L43-F77 WeakPolarHBondContact O-CD2 3.42Å; L43-F77 PolarHBondContact O-N 2.93Å; L43-H343 HydrophobicContact CB-CB 3.56Å; L43-H343 HydrophobicContact CD2-CB 4.39Å; L43-H343 PolarHBondContact N-O 3.03Å
44	F	98.8	Very high	90.4	Very high	50 Å²	50	63.7 Å²	63.7	22%	0.219	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-98.7	123.1	170.9	-57.6	-83.8	0	0	0	109.7	P42 P47 Y48 F77 N87 F161	P42-F44 HydrophobicContact CB-CE2 3.97Å; P42-F44 HydrophobicContact CB-CZ 4.1Å; P42-F44 HydrophobicContact CG-CE2 3.8Å; P42-F44 HydrophobicContact CG-CZ 4.13Å; F44-P47 HydrophobicContact CB-CG 4.42Å; F44-P47 WeakPolarHBondContact O-CD 3.31Å; F44-Y48 WeakPolarHBondContact O-CD2 3.21Å; F44-F77 HydrophobicContact CD1-CB 3.53Å; F44-F77 HydrophobicContact CD1-CD2 4.44Å; F44-F77 HydrophobicContact CD1-CG 4.18Å; F44-F77 HydrophobicContact CE1-CB 3.86Å; F44-F77 HydrophobicContact CE1-CD2 4.21Å; F44-F77 HydrophobicContact CE1-CG 4.02Å; F44-F77 HydrophobicContact CG-CB 4.37Å; F44-N87 WeakPolarHBondContact CD1-OD1 3.48Å; F44-N87 HydrophobicContact CE1-CB 4.37Å; F44-F161 HydrophobicContact CE1-CE1 4.04Å; F44-F161 AromaticContact CE1-CZ 3.79Å; F44-F161 HydrophobicContact CE1-CZ 3.79Å; F44-F161 HydrophobicContact CZ-CE1 4.27Å; F44-F161 AromaticContact CZ-CZ 3.89Å; F44-F161 HydrophobicContact CZ-CZ 3.89Å
45	L	98.8	Very high	92.5	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	38%	0.376	C	S	.	.			trans	-89.1	-25.9	-177	-63	-179.4	0	0	0	113.3	L43 P47 Y48 I49 G57 F77 L78 F90 I189	L43-L45 HydrophobicContact CD1-CD2 4.33Å; L43-L45 HydrophobicContact CD2-CD2 3.75Å; L43-L45 HydrophobicContact CG-CD2 3.86Å; L45-P47 VanDerWaalsContact C-CD 3.5Å; L45-Y48 WeakPolarHBondContact O-CA 3.43Å; L45-Y48 WeakPolarHBondContact O-CB 3.39Å; L45-Y48 PolarHBondContact O-N 3.04Å; L45-I49 PolarHBondContact O-N 2.85Å; L45-I49 VanDerWaalsContact O-N 3.09Å; L45-G57 WeakPolarHBondContact CD2-O 3.43Å; L45-F77 PolarHBondContact N-O 3.49Å; L45-L78 HydrophobicContact CB-CD2 3.97Å; L45-L78 HydrophobicContact CD1-CD2 4.43Å; L45-F90 HydrophobicContact CD1-CE1 3.54Å; L45-F90 HydrophobicContact CD1-CZ 3.66Å; L45-I189 HydrophobicContact CB-CD1 4.42Å; L45-I189 HydrophobicContact CB-CG1 4.44Å; L45-I189 HydrophobicContact CD1-CG1 4.38Å; L45-I189 HydrophobicContact CD1-CG2 4.46Å
46	T	98.8	Very high	94.5	Very high	7 Å²	7	69 Å²	69	4%	0.043	37%	0.373	C	S	.	.	H	α-helix	trans	-51	-44.6	179	-49.6	0	0	0	0	113.3	Y48 I49 E50 T79 Q185	T46-Y48 VanDerWaalsContact C-N 3.26Å; T46-Y48 PolarHBondContact O-N 2.66Å; T46-I49 WeakPolarHBondContact O-CB 3.19Å; T46-I49 PolarHBondContact O-N 3.45Å; T46-I49 VanDerWaalsContact O-N 3.15Å; T46-E50 HydrophobicContact CG2-CG 4.35Å; T46-E50 WeakPolarHBondContact O-CG 3.48Å; T46-E50 PolarHBondContact O-N 2.83Å; T46-T79 WeakPolarHBondContact OG1-CB 3.15Å; T46-T79 PolarHBondContact OG1-N 2.83Å; T46-Q185 PolarHBondContact OG1-OE1 3.27Å
47	P	98.6	Very high	96.1	Very high	72 Å²	72	58.7 Å²	58.7	47%	0.468	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-30.5	176.2	-24.6	36	0	0	0	114.3	F44 L45 A51	F44-P47 HydrophobicContact CB-CG 4.42Å; F44-P47 WeakPolarHBondContact O-CD 3.31Å; L45-P47 VanDerWaalsContact C-CD 3.5Å; P47-A51 VanDerWaalsContact O-CB 3.25Å; P47-A51 WeakPolarHBondContact O-CB 3.44Å; P47-A51 PolarHBondContact O-N 3.25Å
48	Y	98.8	Very high	97.2	Very high	70 Å²	70	57.5 Å²	57.5	28%	0.275	31%	0.308	S	S	.	.	H	α-helix	trans	-75.1	-37.8	176.1	-65.4	-88.2	0	0	0	111.5	L43 F44 L45 T46 A51 G52 K53 K56 L60	L43-Y48 HydrophobicContact CD1-CE2 4.09Å; F44-Y48 WeakPolarHBondContact O-CD2 3.21Å; L45-Y48 WeakPolarHBondContact O-CA 3.43Å; L45-Y48 WeakPolarHBondContact O-CB 3.39Å; L45-Y48 PolarHBondContact O-N 3.04Å; T46-Y48 VanDerWaalsContact C-N 3.26Å; T46-Y48 PolarHBondContact O-N 2.66Å; Y48-A51 PolarHBondContact O-N 2.89Å; Y48-G52 PolarHBondContact O-N 2.82Å; Y48-K53 HydrophobicContact CD1-CB 4.19Å; Y48-K53 WeakPolarHBondContact O-CA 3.26Å; Y48-K53 PolarHBondContact O-N 2.66Å; Y48-K56 HydrophobicContact CD1-CB 4.42Å; Y48-K56 HydrophobicContact CD1-CG 4.2Å; Y48-K56 HydrophobicContact CE1-CG 4.01Å; Y48-L60 HydrophobicContact CD1-CD1 4.47Å; Y48-L60 HydrophobicContact CE1-CD1 3.62Å; Y48-L60 HydrophobicContact CE2-CD1 4.04Å; Y48-L60 WeakPolarHBondContact OH-CD1 3.48Å
49	I	98.3	Very high	97.7	Very high	20 Å²	20	56.9 Å²	56.9	10%	0.103	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-53	173.8	-63.4	169.5	0	0	0	110	L45 T46 A51 G52 I54 L78 Q185 Q188 I189	L45-I49 PolarHBondContact O-N 2.85Å; L45-I49 VanDerWaalsContact O-N 3.09Å; T46-I49 WeakPolarHBondContact O-CB 3.19Å; T46-I49 PolarHBondContact O-N 3.45Å; T46-I49 VanDerWaalsContact O-N 3.15Å; I49-A51 VanDerWaalsContact C-N 3.26Å; I49-A51 PolarHBondContact O-N 3.25Å; I49-G52 PolarHBondContact O-N 2.55Å; I49-I54 HydrophobicContact CB-CD1 4.39Å; I49-I54 HydrophobicContact CG1-CD1 4.33Å; I49-I54 HydrophobicContact CG2-CD1 4.45Å; I49-L78 HydrophobicContact CD1-CD2 4.3Å; I49-Q185 HydrophobicContact CD1-CB 3.56Å; I49-Q185 HydrophobicContact CD1-CG 3.88Å; I49-Q188 HydrophobicContact CG2-CB 4.25Å; I49-I189 HydrophobicContact CD1-CD1 4.07Å; I49-I189 HydrophobicContact CD1-CG1 3.67Å; I49-I189 HydrophobicContact CG1-CD1 3.49Å; I49-I189 VanDerWaalsContact CG1-CD1 3.49Å; I49-I189 HydrophobicContact CG1-CG1 3.66Å
50	E	98.3	Very high	98	Very high	114 Å²	114	59 Å²	59	53%	0.533	31%	0.312	S	S	.	.	H	α-helix	trans	-64.6	-30.8	-177.5	-68.7	177.9	171	0	0	113.1	T46 G52 K82	T46-E50 HydrophobicContact CG2-CG 4.35Å; T46-E50 WeakPolarHBondContact O-CG 3.48Å; T46-E50 PolarHBondContact O-N 2.83Å; E50-G52 VanDerWaalsContact C-N 3.27Å; E50-G52 PolarHBondContact O-N 2.93Å; E50-K82 WeakPolarHBondContact OE1-CE 3.44Å; E50-K82 IonicContact OE1-NZ 2.9Å; E50-K82 PolarHBondContact OE1-NZ 3.25Å; E50-K82 IonicContact OE2-NZ 2.78Å; E50-K82 PolarHBondContact OE2-NZ 2.71Å
51	A	98.4	Very high	98.3	Very high	58 Å²	58	58.1 Å²	58.1	48%	0.479	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	0.7	175.2	0	0	0	0	0	113.8	P47 Y48 I49 K53	P47-A51 VanDerWaalsContact O-CB 3.25Å; P47-A51 WeakPolarHBondContact O-CB 3.44Å; P47-A51 PolarHBondContact O-N 3.25Å; Y48-A51 PolarHBondContact O-N 2.89Å; I49-A51 VanDerWaalsContact C-N 3.26Å; I49-A51 PolarHBondContact O-N 3.25Å; A51-K53 HydrophobicContact CB-CD 4.12Å; A51-K53 HydrophobicContact CB-CG 4.05Å; A51-K53 PolarHBondContact O-N 2.9Å
52	G	97.9	Very high	98.4	Very high	60 Å²	60	54.3 Å²	54.3	62%	0.619	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	16.7	-174.7	0	0	0	0	0	114.1	Y48 I49 E50 I54	Y48-G52 PolarHBondContact O-N 2.82Å; I49-G52 PolarHBondContact O-N 2.55Å; E50-G52 VanDerWaalsContact C-N 3.27Å; E50-G52 PolarHBondContact O-N 2.93Å; G52-I54 VanDerWaalsContact C-N 3.28Å; G52-I54 PolarHBondContact O-N 2.85Å
53	K	98.4	Very high	98.5	Very high	126 Å²	126	53.8 Å²	53.8	55%	0.548	28%	0.283	S	S	.	.			trans	-93.9	46.5	-177.1	-64.6	-179.4	-178.2	174.7	0	111.6	Y48 A51 Q55 K56 G57	Y48-K53 HydrophobicContact CD1-CB 4.19Å; Y48-K53 WeakPolarHBondContact O-CA 3.26Å; Y48-K53 PolarHBondContact O-N 2.66Å; A51-K53 HydrophobicContact CB-CD 4.12Å; A51-K53 HydrophobicContact CB-CG 4.05Å; A51-K53 PolarHBondContact O-N 2.9Å; K53-Q55 PolarHBondContact O-N 2.93Å; K53-K56 HydrophobicContact CB-CB 4.36Å; K53-K56 PolarHBondContact O-N 2.83Å; K53-K56 VanDerWaalsContact O-N 3.15Å; K53-G57 PolarHBondContact O-N 3.19Å
54	I	98	Very high	98.4	Very high	46 Å²	46	55.9 Å²	55.9	24%	0.236	30%	0.3	C	S	.	.	H	α-helix	trans	-54.4	-54.2	-172.2	-57.7	-49.9	0	0	0	112.4	I49 G52 K56 G57 K58 Q188	I49-I54 HydrophobicContact CB-CD1 4.39Å; I49-I54 HydrophobicContact CG1-CD1 4.33Å; I49-I54 HydrophobicContact CG2-CD1 4.45Å; G52-I54 VanDerWaalsContact C-N 3.28Å; G52-I54 PolarHBondContact O-N 2.85Å; I54-K56 PolarHBondContact O-N 3.15Å; I54-G57 PolarHBondContact O-N 3.2Å; I54-G57 VanDerWaalsContact O-N 3.09Å; I54-K58 PolarHBondContact O-N 3.01Å; I54-Q188 WeakPolarHBondContact CG2-O 3.4Å
55	Q	98.1	Very high	98.1	Very high	114 Å²	114	58.4 Å²	58.4	53%	0.533	32%	0.321	S	S	.	.	H	α-helix	trans	-57.8	-39.4	-179	-178.8	58.4	28.3	0	0	111.9	K53 K58 E59	K53-Q55 PolarHBondContact O-N 2.93Å; Q55-K58 PolarHBondContact O-N 3.3Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.31Å; Q55-E59 PolarHBondContact NE2-OE1 3.49Å; Q55-E59 VanDerWaalsContact O-CG 3.3Å; Q55-E59 WeakPolarHBondContact O-CG 3.29Å; Q55-E59 PolarHBondContact O-N 2.9Å
56	K	98.5	Very high	97.9	Very high	101 Å²	101	59.2 Å²	59.2	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-68.5	-41.7	177.9	-176.4	57.4	179.4	172.2	0	112	Y48 K53 I54 K58 E59 L60	Y48-K56 HydrophobicContact CD1-CB 4.42Å; Y48-K56 HydrophobicContact CD1-CG 4.2Å; Y48-K56 HydrophobicContact CE1-CG 4.01Å; K53-K56 HydrophobicContact CB-CB 4.36Å; K53-K56 PolarHBondContact O-N 2.83Å; K53-K56 VanDerWaalsContact O-N 3.15Å; I54-K56 PolarHBondContact O-N 3.15Å; K56-K58 VanDerWaalsContact C-N 3.35Å; K56-E59 PolarHBondContact O-N 2.86Å; K56-L60 HydrophobicContact CD-CD1 4.31Å; K56-L60 HydrophobicContact CD-CG 4.31Å; K56-L60 HydrophobicContact CG-CD1 4.12Å; K56-L60 VanDerWaalsContact O-CG 3.28Å; K56-L60 WeakPolarHBondContact O-CG 3.27Å; K56-L60 PolarHBondContact O-N 2.73Å
57	G	98.6	Very high	97.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-45.8	175	0	0	0	0	0	111.7	L45 K53 I54 L60 S61	L45-G57 WeakPolarHBondContact CD2-O 3.43Å; K53-G57 PolarHBondContact O-N 3.19Å; I54-G57 PolarHBondContact O-N 3.2Å; I54-G57 VanDerWaalsContact O-N 3.09Å; G57-L60 PolarHBondContact O-N 3.27Å; G57-S61 PolarHBondContact O-N 3.22Å
58	K	98.6	Very high	97.2	Very high	30 Å²	30	59.5 Å²	59.5	13%	0.13	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-41.1	175.8	-175.9	-178.9	179.2	178.1	0	113.6	I54 Q55 K56 L60 S61 Y74 I189 F190 E192	I54-K58 PolarHBondContact O-N 3.01Å; Q55-K58 PolarHBondContact O-N 3.3Å; K56-K58 VanDerWaalsContact C-N 3.35Å; K58-L60 VanDerWaalsContact C-N 3.34Å; K58-S61 PolarHBondContact O-N 3.13Å; K58-S61 PolarHBondContact O-OG 2.93Å; K58-Y74 HydrophobicContact CG-CE1 4.28Å; K58-I189 HydrophobicContact CB-CG2 4.02Å; K58-I189 HydrophobicContact CG-CG2 4.48Å; K58-F190 HydrophobicContact CD-CD1 4.32Å; K58-F190 HydrophobicContact CG-CD1 4.24Å; K58-F190 HydrophobicContact CG-CE1 3.97Å; K58-E192 VanDerWaalsContact CE-OE1 3.26Å; K58-E192 WeakPolarHBondContact CE-OE1 3.33Å; K58-E192 IonicContact NZ-OE1 2.55Å; K58-E192 PolarHBondContact NZ-OE1 3.07Å; K58-E192 IonicContact NZ-OE2 2.82Å; K58-E192 PolarHBondContact NZ-OE2 3.32Å
59	E	98.4	Very high	96.9	Very high	101 Å²	101	56.3 Å²	56.3	47%	0.472	32%	0.317	S	S	.	.	H	α-helix	trans	-64.9	-40	175.9	-77.3	167.4	-168.7	0	0	112	Q55 K56 L62	Q55-E59 WeakPolarHBondContact CG-OE1 3.31Å; Q55-E59 PolarHBondContact NE2-OE1 3.49Å; Q55-E59 VanDerWaalsContact O-CG 3.3Å; Q55-E59 WeakPolarHBondContact O-CG 3.29Å; Q55-E59 PolarHBondContact O-N 2.9Å; K56-E59 PolarHBondContact O-N 2.86Å; E59-L62 WeakPolarHBondContact O-CB 3.45Å; E59-L62 PolarHBondContact O-N 2.94Å
60	L	98.5	Very high	96.5	Very high	53 Å²	53	61.6 Å²	61.6	28%	0.277	35%	0.346	S	S	.	.	H	α-helix	trans	-71	-30.3	179.3	-71.1	170.3	0	0	0	112.7	L43 Y48 K56 G57 K58 L62 H343	L43-L60 HydrophobicContact CD1-CB 4.06Å; L43-L60 HydrophobicContact CD1-CD1 4.34Å; L43-L60 VanDerWaalsContact CD2-C 3.43Å; L43-L60 HydrophobicContact CD2-CB 3.86Å; L43-L60 VanDerWaalsContact CD2-O 3.31Å; L43-L60 WeakPolarHBondContact CD2-O 3.43Å; Y48-L60 HydrophobicContact CD1-CD1 4.47Å; Y48-L60 HydrophobicContact CE1-CD1 3.62Å; Y48-L60 HydrophobicContact CE2-CD1 4.04Å; Y48-L60 WeakPolarHBondContact OH-CD1 3.48Å; K56-L60 HydrophobicContact CD-CD1 4.31Å; K56-L60 HydrophobicContact CD-CG 4.31Å; K56-L60 HydrophobicContact CG-CD1 4.12Å; K56-L60 VanDerWaalsContact O-CG 3.28Å; K56-L60 WeakPolarHBondContact O-CG 3.27Å; K56-L60 PolarHBondContact O-N 2.73Å; G57-L60 PolarHBondContact O-N 3.27Å; K58-L60 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 3.31Å; L60-H343 PolarHBondContact O-CE1 2.99Å; L60-H343 PolarHBondContact O-NE2 3.38Å
61	S	98.7	Very high	96.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.5	178.8	62.8	0	0	0	0	113.8	G57 K58 V63 Y74 A75	G57-S61 PolarHBondContact O-N 3.22Å; K58-S61 PolarHBondContact O-N 3.13Å; K58-S61 PolarHBondContact O-OG 2.93Å; S61-V63 PolarHBondContact O-N 2.83Å; S61-Y74 CarbonylContact O-C 3.52Å; S61-Y74 WeakPolarHBondContact O-CA 3.33Å; S61-Y74 WeakPolarHBondContact OG-CD1 3.23Å; S61-A75 WeakPolarHBondContact CA-O 3.32Å; S61-A75 WeakPolarHBondContact CB-O 3.2Å; S61-A75 PolarHBondContact O-N 3.27Å
62	L	98.6	Very high	96.3	Very high	77 Å²	77	60.8 Å²	60.8	40%	0.403	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-57.6	124.7	178.7	-175.1	68.7	0	0	0	110.7	E59 L60 K72 Y74 H343	E59-L62 WeakPolarHBondContact O-CB 3.45Å; E59-L62 PolarHBondContact O-N 2.94Å; L60-L62 PolarHBondContact O-N 3.31Å; L62-K72 HydrophobicContact CD1-CG 3.93Å; L62-Y74 HydrophobicContact CB-CD1 4.29Å; L62-Y74 HydrophobicContact CB-CE1 4.25Å; L62-Y74 HydrophobicContact CD1-CD1 4.27Å; L62-Y74 HydrophobicContact CD1-CE1 3.86Å; L62-H343 PolarHBondContact O-NE2 3.26Å
63	V	98.4	Very high	96.3	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.055	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-78.9	130	178.5	174	0	0	0	0	109.6	S61 F66 L69 S73 A75 W91 A341 I342	S61-V63 PolarHBondContact O-N 2.83Å; V63-F66 HydrophobicContact CG1-CD1 4.42Å; V63-F66 HydrophobicContact CG1-CE1 3.95Å; V63-L69 HydrophobicContact CG1-CD2 4.11Å; V63-S73 WeakPolarHBondContact CB-OG 3.48Å; V63-S73 PolarHBondContact N-O 3.05Å; V63-A75 HydrophobicContact CG2-CB 3.63Å; V63-W91 HydrophobicContact CG1-CZ2 4.15Å; V63-A341 WeakPolarHBondContact CA-O 3.47Å; V63-A341 HydrophobicContact CG1-CB 4.44Å; V63-I342 HydrophobicContact CG1-CG2 4.06Å
64	S	96	Very high	96.3	Very high	66 Å²	66	52.6 Å²	52.6	46%	0.462	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-74.6	146.7	175.9	-64.2	0	0	0	0	110.7	F66	S64-F66 WeakPolarHBondContact O-CD1 3.22Å
65	P	94.5	Very high	96.4	Very high	102 Å²	102	50.4 Å²	50.4	66%	0.662	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-58.8	139.3	173.9	-25	35	0	0	0	112.2	L69	P65-L69 WeakPolarHBondContact CA-O 3.47Å; P65-L69 WeakPolarHBondContact CB-O 3.45Å
66	F	93.1	Very high	96.4	Very high	17 Å²	17	45 Å²	45	8%	0.075	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-153.8	143.3	174.5	64.3	-94.3	0	0	0	110.6	V63 S64 G68 L69 W91 L135 V338 A341 I342	V63-F66 HydrophobicContact CG1-CD1 4.42Å; V63-F66 HydrophobicContact CG1-CE1 3.95Å; S64-F66 WeakPolarHBondContact O-CD1 3.22Å; F66-G68 PolarHBondContact O-N 3.3Å; F66-L69 HydrophobicContact CD1-CB 4.3Å; F66-L69 HydrophobicContact CE1-CB 4.19Å; F66-L69 HydrophobicContact CE1-CD1 3.87Å; F66-L69 HydrophobicContact CE1-CD2 4.33Å; F66-L69 HydrophobicContact CE1-CG 4.35Å; F66-L69 HydrophobicContact CE2-CB 4.4Å; F66-L69 HydrophobicContact CG-CB 4.47Å; F66-L69 HydrophobicContact CZ-CB 4.24Å; F66-L69 HydrophobicContact CZ-CD1 3.8Å; F66-L69 VanDerWaalsContact O-CB 3.3Å; F66-L69 WeakPolarHBondContact O-CB 3.29Å; F66-L69 PolarHBondContact O-N 3.08Å; F66-W91 HydrophobicContact CE1-CH2 4.3Å; F66-W91 HydrophobicContact CE1-CZ2 4.33Å; F66-W91 AromaticContact CZ-CH2 3.87Å; F66-W91 HydrophobicContact CZ-CH2 3.87Å; F66-W91 HydrophobicContact CZ-CZ2 4.3Å; F66-L135 HydrophobicContact CE2-CD1 3.87Å; F66-L135 HydrophobicContact CZ-CD1 4.38Å; F66-V338 HydrophobicContact CD2-CB 4.35Å; F66-V338 HydrophobicContact CD2-CG1 4.39Å; F66-V338 HydrophobicContact CD2-CG2 3.66Å; F66-V338 HydrophobicContact CE2-CB 4.24Å; F66-V338 HydrophobicContact CE2-CG1 3.79Å; F66-V338 HydrophobicContact CE2-CG2 3.77Å; F66-V338 HydrophobicContact CG-CG2 4.44Å; F66-V338 HydrophobicContact CZ-CG1 3.9Å; F66-A341 HydrophobicContact CB-CB 4.44Å; F66-A341 HydrophobicContact CD1-CB 3.38Å; F66-A341 HydrophobicContact CE1-CB 3.94Å; F66-A341 HydrophobicContact CG-CB 4.2Å; F66-I342 HydrophobicContact CE1-CG2 3.93Å; F66-I342 HydrophobicContact CZ-CG2 4.29Å
67	L	91.7	Very high	96.4	Very high	53 Å²	53	40.2 Å²	40.2	28%	0.277	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.9	33.2	167.1	-55.8	173	0	0	0	116.4	L135 L332 L335 E337 V338	L67-L135 PolarHBondContact O-N 2.88Å; L67-L332 HydrophobicContact CD1-CD1 3.71Å; L67-L335 HydrophobicContact CD1-CD1 3.56Å; L67-E337 HydrophobicContact CD1-CG 4.4Å; L67-E337 WeakPolarHBondContact CD1-OE1 3.13Å; L67-E337 WeakPolarHBondContact CD2-OE1 3.42Å; L67-V338 HydrophobicContact CD1-CG2 3.68Å
68	G	90.6	Very high	96.4	Very high	33 Å²	33	40.3 Å²	40.3	34%	0.34	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	-7.6	-178.2	0	0	0	0	0	115.6	F66 N70	F66-G68 PolarHBondContact O-N 3.3Å; G68-N70 PolarHBondContact O-N 3.12Å; G68-N70 PolarHBondContact O-ND2 2.94Å
69	L	93	Very high	96.4	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-71.8	112.4	169	-169	135.6	0	0	0	110.1	V63 P65 F66 W91 Y127 L135	V63-L69 HydrophobicContact CG1-CD2 4.11Å; P65-L69 WeakPolarHBondContact CA-O 3.47Å; P65-L69 WeakPolarHBondContact CB-O 3.45Å; F66-L69 HydrophobicContact CD1-CB 4.3Å; F66-L69 HydrophobicContact CE1-CB 4.19Å; F66-L69 HydrophobicContact CE1-CD1 3.87Å; F66-L69 HydrophobicContact CE1-CD2 4.33Å; F66-L69 HydrophobicContact CE1-CG 4.35Å; F66-L69 HydrophobicContact CE2-CB 4.4Å; F66-L69 HydrophobicContact CG-CB 4.47Å; F66-L69 HydrophobicContact CZ-CB 4.24Å; F66-L69 HydrophobicContact CZ-CD1 3.8Å; F66-L69 VanDerWaalsContact O-CB 3.3Å; F66-L69 WeakPolarHBondContact O-CB 3.29Å; F66-L69 PolarHBondContact O-N 3.08Å; L69-W91 HydrophobicContact CD1-CH2 4.12Å; L69-W91 HydrophobicContact CD1-CZ2 3.64Å; L69-Y127 HydrophobicContact CB-CE2 4.41Å; L69-Y127 HydrophobicContact CD1-CD2 4.24Å; L69-Y127 HydrophobicContact CD1-CE2 3.9Å; L69-Y127 HydrophobicContact CG-CE2 3.82Å; L69-L135 HydrophobicContact CB-CD1 3.71Å; L69-L135 HydrophobicContact CD1-CD1 4.15Å; L69-L135 HydrophobicContact CG-CD1 4.49Å
70	N	90.8	Very high	96.5	Very high	131 Å²	131	35.9 Å²	35.9	70%	0.701	20%	0.203	S	C	*	.			trans	-121.6	-12.4	179.5	-62	-41.6	0	0	0	112.7	G68 Y127	G68-N70 PolarHBondContact O-N 3.12Å; G68-N70 PolarHBondContact O-ND2 2.94Å; N70-Y127 PolarHBondContact N-OH 3.15Å; N70-Y127 VanDerWaalsContact N-OH 3.1Å
71	M	94.4	Very high	96.4	Very high	28 Å²	28	35 Å²	35	14%	0.138	20%	0.198	C	C	.	.	S	Bend	trans	-75.8	132.7	-179.8	-175.6	169.1	-177.8	0	0	110.5	S73 F93 P94 Q96 P126 Y127	M71-S73 PolarHBondContact O-N 3.45Å; M71-F93 HydrophobicContact CE-CB 4.25Å; M71-F93 HydrophobicContact CE-CD1 4.43Å; M71-F93 HydrophobicContact CG-CD1 4.14Å; M71-F93 HydrophobicContact SD-CD1 3.91Å; M71-P94 WeakPolarHBondContact CE-O 3.35Å; M71-Q96 HydrophobicContact CE-CG 3.58Å; M71-Q96 HydrophobicContact SD-CG 4.1Å; M71-P126 HydrophobicContact SD-CB 3.87Å; M71-P126 HydrophobicContact SD-CG 4.09Å; M71-Y127 HydrophobicContact CB-CE2 4.21Å; M71-Y127 WeakPolarHBondContact CB-OH 2.98Å; M71-Y127 PolarHBondContact N-OH 2.99Å
72	K	96.9	Very high	96.4	Very high	126 Å²	126	41.3 Å²	41.3	55%	0.548	23%	0.226	S	C	.	.			trans	-57.6	124.7	173.5	-167.9	-173.2	-168.1	-161.9	0	109.5	L62 Y74 P94	L62-K72 HydrophobicContact CD1-CG 3.93Å; K72-Y74 WeakPolarHBondContact CE-OH 3.34Å; K72-Y74 HydrophobicContact CG-CE2 4.37Å; K72-Y74 PolarHBondContact NZ-OH 3.18Å; K72-P94 WeakPolarHBondContact O-CD 3.4Å
73	S	98.6	Very high	96.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.			trans	-152.1	165.7	179.1	61.7	0	0	0	0	110.9	V63 M71 W91 F92 F93	V63-S73 WeakPolarHBondContact CB-OG 3.48Å; V63-S73 PolarHBondContact N-O 3.05Å; M71-S73 PolarHBondContact O-N 3.45Å; S73-W91 PolarHBondContact OG-NE1 3.34Å; S73-F92 CarbonylContact C-O 3.46Å; S73-F92 WeakPolarHBondContact CA-O 3.44Å; S73-F92 VanDerWaalsContact CB-O 3.25Å; S73-F92 WeakPolarHBondContact CB-O 3.4Å; S73-F93 VanDerWaalsContact CB-CE1 3.46Å
74	Y	98.9	Very high	96.3	Very high	15 Å²	15	46.1 Å²	46.1	6%	0.059	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.2	-174.5	-57.4	-94.5	0	0	0	110.9	K58 S61 L62 K72 W91 F92 P94 F190	K58-Y74 HydrophobicContact CG-CE1 4.28Å; S61-Y74 CarbonylContact O-C 3.52Å; S61-Y74 WeakPolarHBondContact O-CA 3.33Å; S61-Y74 WeakPolarHBondContact OG-CD1 3.23Å; L62-Y74 HydrophobicContact CB-CD1 4.29Å; L62-Y74 HydrophobicContact CB-CE1 4.25Å; L62-Y74 HydrophobicContact CD1-CD1 4.27Å; L62-Y74 HydrophobicContact CD1-CE1 3.86Å; K72-Y74 WeakPolarHBondContact CE-OH 3.34Å; K72-Y74 HydrophobicContact CG-CE2 4.37Å; K72-Y74 PolarHBondContact NZ-OH 3.18Å; Y74-W91 CarbonylContact O-C 3.4Å; Y74-W91 WeakPolarHBondContact O-CA 3.27Å; Y74-W91 VanDerWaalsContact O-CD1 3.31Å; Y74-F92 HydrophobicContact CD2-CD1 4.01Å; Y74-F92 PolarHBondContact N-O 2.8Å; Y74-F92 PolarHBondContact O-N 2.84Å; Y74-P94 HydrophobicContact CE2-CG 4.15Å; Y74-F190 AromaticContact CD1-CE1 3.88Å; Y74-F190 HydrophobicContact CD1-CE1 3.88Å; Y74-F190 HydrophobicContact CD1-CZ 4.13Å; Y74-F190 AromaticContact CD2-CE1 3.84Å; Y74-F190 HydrophobicContact CD2-CE1 3.84Å; Y74-F190 HydrophobicContact CD2-CZ 4.23Å; Y74-F190 HydrophobicContact CE1-CE1 4.21Å; Y74-F190 HydrophobicContact CE2-CE1 4.18Å; Y74-F190 AromaticContact CG-CE1 3.66Å; Y74-F190 HydrophobicContact CG-CE1 3.66Å; Y74-F190 AromaticContact CG-CZ 3.74Å; Y74-F190 HydrophobicContact CG-CZ 3.74Å
75	A	98.9	Very high	96.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	157.5	-179	0	0	0	0	0	111.9	S61 V63 F89 F90 W91 I342 H343	S61-A75 WeakPolarHBondContact CA-O 3.32Å; S61-A75 WeakPolarHBondContact CB-O 3.2Å; S61-A75 PolarHBondContact O-N 3.27Å; V63-A75 HydrophobicContact CG2-CB 3.63Å; A75-F89 HydrophobicContact CB-CE2 3.99Å; A75-F89 HydrophobicContact CB-CZ 3.97Å; A75-F90 VanDerWaalsContact CA-O 3.29Å; A75-F90 WeakPolarHBondContact CA-O 3.49Å; A75-W91 HydrophobicContact CB-CB 4.42Å; A75-W91 HydrophobicContact CB-CD2 4.46Å; A75-W91 HydrophobicContact CB-CG 4.03Å; A75-I342 HydrophobicContact CB-CB 4.25Å; A75-I342 WeakPolarHBondContact CB-O 3.5Å; A75-H343 PolarHBondContact O-CD2 3.17Å
76	G	98.8	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.5	-173.1	176.2	0	0	0	0	0	112.2	F89 F90	G76-F89 WeakPolarHBondContact O-CD2 3.47Å; G76-F90 PolarHBondContact N-O 2.93Å; G76-F90 WeakPolarHBondContact O-CD1 3.45Å; G76-F90 PolarHBondContact O-N 2.9Å
77	F	98.9	Very high	96.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.4	-179.9	-65.9	-82.6	0	0	0	112.5	P42 L43 F44 L45 N87 L88 F89 F159 F161 V344 R347	P42-F77 HydrophobicContact CB-CD2 4.09Å; P42-F77 HydrophobicContact CB-CE2 3.74Å; L43-F77 WeakPolarHBondContact O-CD2 3.42Å; L43-F77 PolarHBondContact O-N 2.93Å; F44-F77 HydrophobicContact CD1-CB 3.53Å; F44-F77 HydrophobicContact CD1-CD2 4.44Å; F44-F77 HydrophobicContact CD1-CG 4.18Å; F44-F77 HydrophobicContact CE1-CB 3.86Å; F44-F77 HydrophobicContact CE1-CD2 4.21Å; F44-F77 HydrophobicContact CE1-CG 4.02Å; F44-F77 HydrophobicContact CG-CB 4.37Å; L45-F77 PolarHBondContact N-O 3.49Å; F77-N87 HydrophobicContact CB-CB 4.37Å; F77-N87 HydrophobicContact CD1-CB 4.15Å; F77-L88 WeakPolarHBondContact CA-O 3.33Å; F77-F89 HydrophobicContact CD1-CB 3.99Å; F77-F89 HydrophobicContact CD1-CD2 4.49Å; F77-F89 HydrophobicContact CE1-CB 3.71Å; F77-F89 HydrophobicContact CE1-CD2 4.16Å; F77-F89 HydrophobicContact CE1-CG 4.36Å; F77-F89 HydrophobicContact CE2-CD2 4.47Å; F77-F89 HydrophobicContact CZ-CB 4.45Å; F77-F89 HydrophobicContact CZ-CD2 4.14Å; F77-F159 HydrophobicContact CE1-CB 4.21Å; F77-F159 VanDerWaalsContact CE1-O 3.31Å; F77-F159 WeakPolarHBondContact CE1-O 3.45Å; F77-F159 HydrophobicContact CZ-CB 4.2Å; F77-F161 HydrophobicContact CD1-CE1 4.13Å; F77-F161 HydrophobicContact CE1-CD1 4.09Å; F77-F161 AromaticContact CE1-CE1 3.98Å; F77-F161 HydrophobicContact CE1-CE1 3.98Å; F77-F161 HydrophobicContact CZ-CE1 4.42Å; F77-V344 HydrophobicContact CE2-CB 4.46Å; F77-V344 HydrophobicContact CE2-CG1 4.3Å; F77-V344 HydrophobicContact CZ-CB 4.36Å; F77-V344 HydrophobicContact CZ-CG1 4.11Å; F77-R347 HydrophobicContact CZ-CB 4.47Å; F77-R347 HydrophobicContact CZ-CG 4.16Å
78	L	98.9	Very high	97.2	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.5	169.6	-61.4	175.4	0	0	0	108.6	L45 I49 V80 N87 L88 F90 A182 Q185 F186	L45-L78 HydrophobicContact CB-CD2 3.97Å; L45-L78 HydrophobicContact CD1-CD2 4.43Å; I49-L78 HydrophobicContact CD1-CD2 4.3Å; L78-V80 PolarHBondContact O-N 3.27Å; L78-N87 CarbonylContact O-C 3.47Å; L78-N87 WeakPolarHBondContact O-CA 3.28Å; L78-L88 PolarHBondContact N-O 2.89Å; L78-L88 PolarHBondContact O-N 3.08Å; L78-F90 HydrophobicContact CD1-CD1 4.04Å; L78-F90 HydrophobicContact CD1-CE1 4.43Å; L78-F90 HydrophobicContact CG-CD1 4.02Å; L78-F90 HydrophobicContact CG-CE1 4.21Å; L78-A182 HydrophobicContact CB-CB 4.36Å; L78-A182 HydrophobicContact CD1-CB 3.95Å; L78-A182 VanDerWaalsContact CD1-O 3.32Å; L78-A182 WeakPolarHBondContact CD1-O 3.17Å; L78-Q185 HydrophobicContact CD1-CB 4.27Å; L78-Q185 HydrophobicContact CD2-CB 3.88Å; L78-F186 HydrophobicContact CD1-CB 4.39Å
79	T	98.9	Very high	97.6	Very high	20 Å²	20	35.8 Å²	35.8	12%	0.123	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	113.9	175.6	-50.4	0	0	0	0	109	T46 K82 S86 N87 Q185	T46-T79 WeakPolarHBondContact OG1-CB 3.15Å; T46-T79 PolarHBondContact OG1-N 2.83Å; T79-K82 HydrophobicContact CG2-CG 3.98Å; T79-S86 WeakPolarHBondContact CA-O 3.47Å; T79-N87 VanDerWaalsContact CA-OD1 3.29Å; T79-N87 WeakPolarHBondContact CA-OD1 3.45Å; T79-N87 WeakPolarHBondContact CB-OD1 3.39Å; T79-N87 PolarHBondContact OG1-OD1 2.79Å; T79-Q185 PolarHBondContact O-NE2 2.88Å
80	V	98.7	Very high	97.9	Very high	18 Å²	18	35.8 Å²	35.8	11%	0.109	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-25.8	-176.7	-64.5	0	0	0	0	112.3	L78 S86 L88 V155 D178 A182	L78-V80 PolarHBondContact O-N 3.27Å; V80-S86 WeakPolarHBondContact CG2-O 3.48Å; V80-S86 PolarHBondContact N-O 2.95Å; V80-L88 HydrophobicContact CG1-CB 4.4Å; V80-L88 HydrophobicContact CG1-CD1 3.91Å; V80-L88 HydrophobicContact CG1-CG 3.9Å; V80-L88 HydrophobicContact CG2-CG 4.18Å; V80-V155 HydrophobicContact CG2-CG2 3.86Å; V80-D178 HydrophobicContact CB-CB 4.1Å; V80-D178 VanDerWaalsContact CG1-O 3.25Å; V80-D178 WeakPolarHBondContact CG1-O 3.41Å; V80-D178 HydrophobicContact CG2-CB 3.92Å; V80-A182 HydrophobicContact CG1-CB 3.96Å
81	N	98.1	Very high	98.3	Very high	34 Å²	34	29.5 Å²	29.5	18%	0.182	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	108.9	173.4	-172.6	-29.9	0	0	0	110.7	T83 Y84 N85 S86	N81-T83 VanDerWaalsContact C-N 3.35Å; N81-T83 PolarHBondContact O-N 3.2Å; N81-T83 VanDerWaalsContact OD1-CB 3.3Å; N81-T83 WeakPolarHBondContact OD1-CB 3.36Å; N81-T83 PolarHBondContact OD1-N 3.33Å; N81-Y84 WeakPolarHBondContact ND2-CD2 3.39Å; N81-Y84 PolarHBondContact OD1-N 2.91Å; N81-N85 WeakPolarHBondContact O-CA 3.39Å; N81-N85 PolarHBondContact O-N 3Å; N81-S86 PolarHBondContact N-O 3.19Å; N81-S86 PolarHBondContact O-N 3.02Å
82	K	97.9	Very high	98.5	Very high	133 Å²	133	28.2 Å²	28.2	58%	0.578	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-29.6	-179.5	-71.1	-177.3	174.2	-173.4	0	113.7	E50 T79 Y84 N85	E50-K82 WeakPolarHBondContact OE1-CE 3.44Å; E50-K82 IonicContact OE1-NZ 2.9Å; E50-K82 PolarHBondContact OE1-NZ 3.25Å; E50-K82 IonicContact OE2-NZ 2.78Å; E50-K82 PolarHBondContact OE2-NZ 2.71Å; T79-K82 HydrophobicContact CG2-CG 3.98Å; K82-Y84 VanDerWaalsContact C-N 3.29Å; K82-Y84 PolarHBondContact O-N 3.32Å; K82-N85 PolarHBondContact O-N 2.81Å
83	T	97.8	Very high	98.6	Very high	116 Å²	116	22.2 Å²	22.2	71%	0.712	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-39.7	-177	-55.8	0	0	0	0	111.2	N81	N81-T83 VanDerWaalsContact C-N 3.35Å; N81-T83 PolarHBondContact O-N 3.2Å; N81-T83 VanDerWaalsContact OD1-CB 3.3Å; N81-T83 WeakPolarHBondContact OD1-CB 3.36Å; N81-T83 PolarHBondContact OD1-N 3.33Å
84	Y	97.7	Very high	98.6	Very high	70 Å²	70	22.8 Å²	22.8	28%	0.275	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	2.7	-177.5	-56.7	-46.1	0	0	0	113.5	N81 K82 S86 T162 D163 D164 H166	N81-Y84 WeakPolarHBondContact ND2-CD2 3.39Å; N81-Y84 PolarHBondContact OD1-N 2.91Å; K82-Y84 VanDerWaalsContact C-N 3.29Å; K82-Y84 PolarHBondContact O-N 3.32Å; Y84-S86 PolarHBondContact O-N 3.37Å; Y84-T162 PolarHBondContact O-OG1 3.45Å; Y84-D163 PolarHBondContact O-N 3.01Å; Y84-D163 VanDerWaalsContact O-N 3.09Å; Y84-D164 HydrophobicContact CD1-CB 3.66Å; Y84-D164 HydrophobicContact CG-CB 4.11Å; Y84-H166 HydrophobicContact CD1-CB 4.17Å; Y84-H166 HydrophobicContact CD2-CB 4.35Å; Y84-H166 HydrophobicContact CE1-CB 3.67Å; Y84-H166 HydrophobicContact CE2-CB 3.88Å; Y84-H166 WeakPolarHBondContact CE2-O 3.21Å; Y84-H166 HydrophobicContact CG-CB 4.49Å
85	N	98	Very high	98.6	Very high	52 Å²	52	22.3 Å²	22.3	28%	0.278	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	43.9	-168.7	-166.8	28.1	0	0	0	112.2	N81 K82 N87 D163	N81-N85 WeakPolarHBondContact O-CA 3.39Å; N81-N85 PolarHBondContact O-N 3Å; K82-N85 PolarHBondContact O-N 2.81Å; N85-N87 PolarHBondContact O-ND2 3.11Å; N85-N87 PolarHBondContact OD1-ND2 3.02Å; N85-D163 HydrophobicContact CB-CB 4.3Å; N85-D163 PolarHBondContact ND2-OD2 3.06Å
86	S	98.7	Very high	98.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.6	175.7	-53.7	0	0	0	0	110.2	T79 V80 N81 Y84 F161	T79-S86 WeakPolarHBondContact CA-O 3.47Å; V80-S86 WeakPolarHBondContact CG2-O 3.48Å; V80-S86 PolarHBondContact N-O 2.95Å; N81-S86 PolarHBondContact N-O 3.19Å; N81-S86 PolarHBondContact O-N 3.02Å; Y84-S86 PolarHBondContact O-N 3.37Å; S86-F161 CarbonylContact C-O 3.51Å; S86-F161 WeakPolarHBondContact CA-O 3.34Å
87	N	98.8	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.3	-176.4	-64.7	-86.7	0	0	0	110.4	F44 F77 L78 T79 N85 S160 F161	F44-N87 WeakPolarHBondContact CD1-OD1 3.48Å; F44-N87 HydrophobicContact CE1-CB 4.37Å; F77-N87 HydrophobicContact CB-CB 4.37Å; F77-N87 HydrophobicContact CD1-CB 4.15Å; L78-N87 CarbonylContact O-C 3.47Å; L78-N87 WeakPolarHBondContact O-CA 3.28Å; T79-N87 VanDerWaalsContact CA-OD1 3.29Å; T79-N87 WeakPolarHBondContact CA-OD1 3.45Å; T79-N87 WeakPolarHBondContact CB-OD1 3.39Å; T79-N87 PolarHBondContact OG1-OD1 2.79Å; N85-N87 PolarHBondContact O-ND2 3.11Å; N85-N87 PolarHBondContact OD1-ND2 3.02Å; N87-S160 VanDerWaalsContact O-CA 3.31Å; N87-S160 WeakPolarHBondContact O-CA 3.47Å; N87-S160 WeakPolarHBondContact O-CB 3.48Å; N87-F161 HydrophobicContact CB-CD1 4.31Å; N87-F161 HydrophobicContact CB-CE1 3.88Å; N87-F161 HydrophobicContact CB-CZ 4.09Å; N87-F161 PolarHBondContact N-O 3.19Å; N87-F161 WeakPolarHBondContact ND2-CZ 3.28Å; N87-F161 PolarHBondContact O-N 2.78Å
88	L	98.9	Very high	98.2	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.8	170.9	-64	-176	0	0	0	110.4	F77 L78 V80 I151 V155 S160 L179 A182	F77-L88 WeakPolarHBondContact CA-O 3.33Å; L78-L88 PolarHBondContact N-O 2.89Å; L78-L88 PolarHBondContact O-N 3.08Å; V80-L88 HydrophobicContact CG1-CB 4.4Å; V80-L88 HydrophobicContact CG1-CD1 3.91Å; V80-L88 HydrophobicContact CG1-CG 3.9Å; V80-L88 HydrophobicContact CG2-CG 4.18Å; L88-I151 HydrophobicContact CB-CG2 4.15Å; L88-I151 HydrophobicContact CD1-CG2 4.15Å; L88-V155 HydrophobicContact CD2-CB 4.38Å; L88-V155 HydrophobicContact CD2-CG2 3.63Å; L88-V155 HydrophobicContact CG-CG2 4.31Å; L88-S160 WeakPolarHBondContact CA-OG 3.43Å; L88-L179 HydrophobicContact CD1-CD2 4.26Å; L88-A182 HydrophobicContact CD1-CB 3.95Å
89	F	98.9	Very high	98.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	135.6	169.1	177.4	-106.2	0	0	0	110.1	A75 G76 F77 W91 M117 D152 F159 S160 I342 V344	A75-F89 HydrophobicContact CB-CE2 3.99Å; A75-F89 HydrophobicContact CB-CZ 3.97Å; G76-F89 WeakPolarHBondContact O-CD2 3.47Å; F77-F89 HydrophobicContact CD1-CB 3.99Å; F77-F89 HydrophobicContact CD1-CD2 4.49Å; F77-F89 HydrophobicContact CE1-CB 3.71Å; F77-F89 HydrophobicContact CE1-CD2 4.16Å; F77-F89 HydrophobicContact CE1-CG 4.36Å; F77-F89 HydrophobicContact CE2-CD2 4.47Å; F77-F89 HydrophobicContact CZ-CB 4.45Å; F77-F89 HydrophobicContact CZ-CD2 4.14Å; F89-W91 HydrophobicContact CE1-CB 4.35Å; F89-W91 HydrophobicContact CZ-CB 4.45Å; F89-W91 HydrophobicContact CZ-CE3 4.49Å; F89-M117 HydrophobicContact CE1-CE 4.18Å; F89-M117 HydrophobicContact CE1-SD 3.92Å; F89-D152 HydrophobicContact CB-CB 4.39Å; F89-D152 PolarHBondContact O-N 3.26Å; F89-F159 HydrophobicContact CB-CB 3.72Å; F89-F159 HydrophobicContact CD1-CB 4.02Å; F89-F159 AromaticContact CD1-CD2 3.94Å; F89-F159 HydrophobicContact CD1-CD2 3.94Å; F89-F159 HydrophobicContact CD1-CG 4.47Å; F89-F159 HydrophobicContact CD2-CB 4.29Å; F89-F159 AromaticContact CE1-CD2 3.93Å; F89-F159 HydrophobicContact CE1-CD2 3.93Å; F89-F159 HydrophobicContact CG-CB 3.74Å; F89-F159 HydrophobicContact CG-CD2 4.35Å; F89-F159 HydrophobicContact CG-CG 4.5Å; F89-F159 HydrophobicContact CZ-CD2 4.33Å; F89-S160 PolarHBondContact N-OG 3.13Å; F89-I342 HydrophobicContact CZ-CB 4.45Å; F89-I342 HydrophobicContact CZ-CD1 4.12Å; F89-I342 HydrophobicContact CZ-CG1 4.48Å; F89-V344 HydrophobicContact CD2-CG1 3.67Å; F89-V344 HydrophobicContact CE2-CG1 3.31Å; F89-V344 HydrophobicContact CG-CG1 4.47Å; F89-V344 HydrophobicContact CZ-CG1 3.85Å
90	F	98.9	Very high	97.9	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.6	171.5	81	-80	0	0	0	111.5	L45 A75 G76 L78 F92 L149 Y150 I151 F186 F190	L45-F90 HydrophobicContact CD1-CE1 3.54Å; L45-F90 HydrophobicContact CD1-CZ 3.66Å; A75-F90 VanDerWaalsContact CA-O 3.29Å; A75-F90 WeakPolarHBondContact CA-O 3.49Å; G76-F90 PolarHBondContact N-O 2.93Å; G76-F90 WeakPolarHBondContact O-CD1 3.45Å; G76-F90 PolarHBondContact O-N 2.9Å; L78-F90 HydrophobicContact CD1-CD1 4.04Å; L78-F90 HydrophobicContact CD1-CE1 4.43Å; L78-F90 HydrophobicContact CG-CD1 4.02Å; L78-F90 HydrophobicContact CG-CE1 4.21Å; F90-F92 HydrophobicContact CD2-CB 4.07Å; F90-F92 HydrophobicContact CE2-CB 4.01Å; F90-L149 HydrophobicContact CB-CD1 3.96Å; F90-L149 HydrophobicContact CD2-CD1 3.72Å; F90-L149 HydrophobicContact CG-CD1 4.21Å; F90-Y150 CarbonylContact C-O 3.6Å; F90-Y150 VanDerWaalsContact CA-O 3.23Å; F90-Y150 WeakPolarHBondContact CA-O 3.4Å; F90-I151 HydrophobicContact CB-CG1 3.99Å; F90-F186 HydrophobicContact CD2-CD2 4.41Å; F90-F186 HydrophobicContact CE2-CD2 4.37Å; F90-F190 AromaticContact CE2-CE2 3.87Å; F90-F190 HydrophobicContact CE2-CE2 3.87Å; F90-F190 HydrophobicContact CE2-CZ 4.26Å; F90-F190 HydrophobicContact CZ-CE2 4.01Å; F90-F190 HydrophobicContact CZ-CZ 4.4Å
91	W	98.9	Very high	97.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	119.2	166.9	-158.4	-15.6	0	0	0	110.2	V63 F66 L69 S73 Y74 A75 F89 F93 M117 L120 F121 Y150 I342	V63-W91 HydrophobicContact CG1-CZ2 4.15Å; F66-W91 HydrophobicContact CE1-CH2 4.3Å; F66-W91 HydrophobicContact CE1-CZ2 4.33Å; F66-W91 AromaticContact CZ-CH2 3.87Å; F66-W91 HydrophobicContact CZ-CH2 3.87Å; F66-W91 HydrophobicContact CZ-CZ2 4.3Å; L69-W91 HydrophobicContact CD1-CH2 4.12Å; L69-W91 HydrophobicContact CD1-CZ2 3.64Å; S73-W91 PolarHBondContact OG-NE1 3.34Å; Y74-W91 CarbonylContact O-C 3.4Å; Y74-W91 WeakPolarHBondContact O-CA 3.27Å; Y74-W91 VanDerWaalsContact O-CD1 3.31Å; A75-W91 HydrophobicContact CB-CB 4.42Å; A75-W91 HydrophobicContact CB-CD2 4.46Å; A75-W91 HydrophobicContact CB-CG 4.03Å; F89-W91 HydrophobicContact CE1-CB 4.35Å; F89-W91 HydrophobicContact CZ-CB 4.45Å; F89-W91 HydrophobicContact CZ-CE3 4.49Å; W91-F93 HydrophobicContact CB-CE2 4.34Å; W91-F93 AromaticContact CD1-CE2 3.27Å; W91-F93 AromaticContact CD1-CZ 3.78Å; W91-F93 AromaticContact CD2-CE2 3.85Å; W91-F93 HydrophobicContact CD2-CE2 3.85Å; W91-F93 HydrophobicContact CD2-CZ 4.07Å; W91-F93 AromaticContact CE2-CE2 3.69Å; W91-F93 AromaticContact CE2-CZ 3.47Å; W91-F93 VanDerWaalsContact CE2-CZ 3.47Å; W91-F93 HydrophobicContact CG-CD2 4.49Å; W91-F93 AromaticContact CG-CE2 3.59Å; W91-F93 HydrophobicContact CG-CE2 3.59Å; W91-F93 HydrophobicContact CG-CZ 4.23Å; W91-F93 HydrophobicContact CZ2-CE2 4.44Å; W91-F93 AromaticContact CZ2-CZ 3.82Å; W91-F93 HydrophobicContact CZ2-CZ 3.82Å; W91-F93 AromaticContact NE1-CE2 3.33Å; W91-F93 VanDerWaalsContact NE1-CE2 3.33Å; W91-F93 AromaticContact NE1-CZ 3.3Å; W91-F93 VanDerWaalsContact NE1-CZ 3.3Å; W91-M117 HydrophobicContact CB-CE 4.1Å; W91-M117 HydrophobicContact CE3-SD 3.55Å; W91-M117 VanDerWaalsContact CE3-SD 3.55Å; W91-M117 HydrophobicContact CZ3-SD 4.13Å; W91-L120 HydrophobicContact CB-CD1 4.43Å; W91-L120 HydrophobicContact CD2-CD1 4.13Å; W91-L120 HydrophobicContact CE3-CD1 4.06Å; W91-L120 HydrophobicContact CG-CD1 4.33Å; W91-F121 AromaticContact CH2-CZ 3.86Å; W91-F121 HydrophobicContact CH2-CZ 3.86Å; W91-F121 AromaticContact CZ3-CE2 3.99Å; W91-F121 HydrophobicContact CZ3-CE2 3.99Å; W91-F121 AromaticContact CZ3-CZ 3.74Å; W91-F121 HydrophobicContact CZ3-CZ 3.74Å; W91-Y150 PolarHBondContact N-O 3.01Å; W91-Y150 PolarHBondContact O-N 2.98Å; W91-I342 HydrophobicContact CD2-CG2 4.43Å; W91-I342 HydrophobicContact CE3-CG2 4.23Å; W91-I342 HydrophobicContact CH2-CG2 3.47Å; W91-I342 VanDerWaalsContact CH2-CG2 3.47Å; W91-I342 HydrophobicContact CZ2-CG2 3.6Å; W91-I342 HydrophobicContact CZ3-CD1 4.37Å; W91-I342 HydrophobicContact CZ3-CG2 3.78Å
92	F	98.9	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.4	-174.5	177.5	-120.1	0	0	0	112.4	S73 Y74 F90 P94 V104 M148 L149 F186 F190 Y193	S73-F92 CarbonylContact C-O 3.46Å; S73-F92 WeakPolarHBondContact CA-O 3.44Å; S73-F92 VanDerWaalsContact CB-O 3.25Å; S73-F92 WeakPolarHBondContact CB-O 3.4Å; Y74-F92 HydrophobicContact CD2-CD1 4.01Å; Y74-F92 PolarHBondContact N-O 2.8Å; Y74-F92 PolarHBondContact O-N 2.84Å; F90-F92 HydrophobicContact CD2-CB 4.07Å; F90-F92 HydrophobicContact CE2-CB 4.01Å; F92-P94 HydrophobicContact CD1-CG 4.43Å; F92-P94 HydrophobicContact CE1-CG 3.89Å; F92-P94 HydrophobicContact CZ-CG 4.4Å; F92-V104 HydrophobicContact CE2-CG1 4.47Å; F92-M148 WeakPolarHBondContact CA-O 2.99Å; F92-M148 VanDerWaalsContact CD2-O 3.25Å; F92-M148 WeakPolarHBondContact CD2-O 3.27Å; F92-L149 HydrophobicContact CB-CD1 4.17Å; F92-L149 HydrophobicContact CD2-CB 4.05Å; F92-F186 HydrophobicContact CB-CE2 3.99Å; F92-F186 HydrophobicContact CD1-CE2 4.08Å; F92-F186 HydrophobicContact CD1-CZ 4.21Å; F92-F186 AromaticContact CD2-CE2 3.91Å; F92-F186 HydrophobicContact CD2-CE2 3.91Å; F92-F186 AromaticContact CD2-CZ 3.75Å; F92-F186 HydrophobicContact CD2-CZ 3.75Å; F92-F186 HydrophobicContact CE1-CZ 4.28Å; F92-F186 HydrophobicContact CE2-CE2 4.44Å; F92-F186 AromaticContact CE2-CZ 3.83Å; F92-F186 HydrophobicContact CE2-CZ 3.83Å; F92-F186 AromaticContact CG-CE2 3.73Å; F92-F186 HydrophobicContact CG-CE2 3.73Å; F92-F186 AromaticContact CG-CZ 3.95Å; F92-F186 HydrophobicContact CG-CZ 3.95Å; F92-F186 HydrophobicContact CZ-CZ 4.1Å; F92-F190 HydrophobicContact CD1-CD1 4.42Å; F92-F190 HydrophobicContact CD1-CE1 4.22Å; F92-F190 HydrophobicContact CD1-CZ 4.29Å; F92-F190 HydrophobicContact CE1-CD1 4.46Å; F92-Y193 HydrophobicContact CE1-CD2 4.29Å; F92-Y193 AromaticContact CE1-CE2 3.72Å; F92-Y193 HydrophobicContact CE1-CE2 3.72Å; F92-Y193 AromaticContact CE1-CZ 3.87Å; F92-Y193 HydrophobicContact CZ-CD1 4.32Å; F92-Y193 HydrophobicContact CZ-CD2 4.24Å; F92-Y193 AromaticContact CZ-CE1 3.96Å; F92-Y193 HydrophobicContact CZ-CE1 3.96Å; F92-Y193 AromaticContact CZ-CE2 3.88Å; F92-Y193 HydrophobicContact CZ-CE2 3.88Å; F92-Y193 HydrophobicContact CZ-CG 4.44Å; F92-Y193 AromaticContact CZ-CZ 3.73Å
93	F	98.8	Very high	97.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	108.3	177.9	-69.9	-102.1	0	0	0	109.4	M71 S73 W91 L120 P126 Y127 T143 S147 M148 Y150	M71-F93 HydrophobicContact CE-CB 4.25Å; M71-F93 HydrophobicContact CE-CD1 4.43Å; M71-F93 HydrophobicContact CG-CD1 4.14Å; M71-F93 HydrophobicContact SD-CD1 3.91Å; S73-F93 VanDerWaalsContact CB-CE1 3.46Å; W91-F93 HydrophobicContact CB-CE2 4.34Å; W91-F93 AromaticContact CD1-CE2 3.27Å; W91-F93 AromaticContact CD1-CZ 3.78Å; W91-F93 AromaticContact CD2-CE2 3.85Å; W91-F93 HydrophobicContact CD2-CE2 3.85Å; W91-F93 HydrophobicContact CD2-CZ 4.07Å; W91-F93 AromaticContact CE2-CE2 3.69Å; W91-F93 AromaticContact CE2-CZ 3.47Å; W91-F93 VanDerWaalsContact CE2-CZ 3.47Å; W91-F93 HydrophobicContact CG-CD2 4.49Å; W91-F93 AromaticContact CG-CE2 3.59Å; W91-F93 HydrophobicContact CG-CE2 3.59Å; W91-F93 HydrophobicContact CG-CZ 4.23Å; W91-F93 HydrophobicContact CZ2-CE2 4.44Å; W91-F93 AromaticContact CZ2-CZ 3.82Å; W91-F93 HydrophobicContact CZ2-CZ 3.82Å; W91-F93 AromaticContact NE1-CE2 3.33Å; W91-F93 VanDerWaalsContact NE1-CE2 3.33Å; W91-F93 AromaticContact NE1-CZ 3.3Å; W91-F93 VanDerWaalsContact NE1-CZ 3.3Å; F93-L120 HydrophobicContact CD2-CD1 4.12Å; F93-L120 HydrophobicContact CE2-CD1 3.31Å; F93-L120 HydrophobicContact CE2-CG 4.34Å; F93-L120 HydrophobicContact CZ-CD1 3.89Å; F93-P126 HydrophobicContact CD1-CG 3.72Å; F93-P126 HydrophobicContact CE1-CG 3.68Å; F93-P126 HydrophobicContact CG-CG 4.42Å; F93-P126 HydrophobicContact CZ-CG 4.39Å; F93-Y127 HydrophobicContact CE1-CE2 4.44Å; F93-T143 HydrophobicContact CB-CG2 3.69Å; F93-T143 HydrophobicContact CG-CG2 4.34Å; F93-S147 CarbonylContact O-C 3.46Å; F93-S147 WeakPolarHBondContact O-CA 3.37Å; F93-M148 PolarHBondContact N-O 3.41Å; F93-M148 PolarHBondContact O-N 2.92Å; F93-Y150 HydrophobicContact CD2-CD2 4.29Å; F93-Y150 HydrophobicContact CD2-CE2 4.27Å
94	P	98.6	Very high	97.9	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.084	19%	0.191	C	C	.	.			trans	-55.1	149.5	169.4	-26.5	36.1	0	0	0	112.2	M71 K72 Y74 F92 P99 Y193	M71-P94 WeakPolarHBondContact CE-O 3.35Å; K72-P94 WeakPolarHBondContact O-CD 3.4Å; Y74-P94 HydrophobicContact CE2-CG 4.15Å; F92-P94 HydrophobicContact CD1-CG 4.43Å; F92-P94 HydrophobicContact CE1-CG 3.89Å; F92-P94 HydrophobicContact CZ-CG 4.4Å; P94-P99 HydrophobicContact CB-CB 4.07Å; P94-Y193 WeakPolarHBondContact CB-OH 3.42Å
95	A	98.5	Very high	97.9	Very high	5 Å²	5	35 Å²	35	4%	0.041	18%	0.178	C	C	.	.			trans	-59.2	145.4	174.6	0	0	0	0	0	111.8	P99 A102 T143 S147	A95-P99 VanDerWaalsContact O-CB 3.31Å; A95-P99 WeakPolarHBondContact O-CB 3.41Å; A95-A102 HydrophobicContact CB-CB 3.39Å; A95-T143 CarbonylContact C-O 3.48Å; A95-T143 WeakPolarHBondContact CA-O 3.15Å; A95-S147 PolarHBondContact N-OG 3.31Å
96	Q	97.5	Very high	98	Very high	109 Å²	109	32.5 Å²	32.5	51%	0.509	17%	0.165	S	C	.	.	S	Bend	trans	-72.7	-34.1	176.6	-64.2	179.7	18.2	0	0	111.7	M71 T143	M71-Q96 HydrophobicContact CE-CG 3.58Å; M71-Q96 HydrophobicContact SD-CG 4.1Å; Q96-T143 WeakPolarHBondContact CG-O 3.36Å; Q96-T143 PolarHBondContact N-O 3.41Å
97	I	96.6	Very high	98	Very high	93 Å²	93	32.5 Å²	32.5	48%	0.477	17%	0.165	S	C	.	.	S	Bend	trans	-105.7	123.5	177.6	-58.7	176.4	0	0	0	108.6	T144	I97-T144 WeakPolarHBondContact CB-O 2.85Å; I97-T144 HydrophobicContact CD1-CG2 3.88Å; I97-T144 HydrophobicContact CG1-CG2 4.46Å; I97-T144 WeakPolarHBondContact CG1-O 3.32Å; I97-T144 PolarHBondContact N-O 3.3Å
98	Q	95.2	Very high	98	Very high	141 Å²	141	32.5 Å²	32.5	66%	0.659	17%	0.165	S	C	*	.	S	Bend	trans	50.3	54.6	175.7	-63.1	175.6	-9.5	0	0	113.8	E100 D101 A102	Q98-E100 PolarHBondContact O-N 2.74Å; Q98-E100 VanDerWaalsContact O-N 3.15Å; Q98-D101 PolarHBondContact O-N 2.87Å; Q98-D101 VanDerWaalsContact O-N 3.16Å; Q98-A102 WeakPolarHBondContact O-CB 3.41Å; Q98-A102 PolarHBondContact O-N 3.32Å
99	P	95.6	Very high	98	Very high	42 Å²	42	32.6 Å²	32.6	27%	0.273	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.8	-175.4	17.7	-30.1	0	0	0	114.7	P94 A95 D101 Y193	P94-P99 HydrophobicContact CB-CB 4.07Å; A95-P99 VanDerWaalsContact O-CB 3.31Å; A95-P99 WeakPolarHBondContact O-CB 3.41Å; P99-D101 VanDerWaalsContact C-N 3.3Å; P99-D101 PolarHBondContact O-N 2.73Å; P99-Y193 WeakPolarHBondContact O-CE1 3.4Å
100	E	95.4	Very high	97.8	Very high	131 Å²	131	32.6 Å²	32.6	61%	0.612	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-36.5	-177.7	-52.4	-77.4	-179.6	0	0	111.7	Q98 N196	Q98-E100 PolarHBondContact O-N 2.74Å; Q98-E100 VanDerWaalsContact O-N 3.15Å; E100-N196 PolarHBondContact O-ND2 3.05Å
101	D	95.3	Very high	97.4	Very high	133 Å²	133	32.6 Å²	32.6	71%	0.711	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-10.7	-176.5	-59.4	-53.3	0	0	0	113	Q98 P99	Q98-D101 PolarHBondContact O-N 2.87Å; Q98-D101 VanDerWaalsContact O-N 3.16Å; P99-D101 VanDerWaalsContact C-N 3.3Å; P99-D101 PolarHBondContact O-N 2.73Å
102	A	98.3	Very high	97.2	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.025	17%	0.167	C	C	.	.	S	Bend	trans	-67.4	138.8	-174.2	0	0	0	0	0	111.7	A95 Q98 N196	A95-A102 HydrophobicContact CB-CB 3.39Å; Q98-A102 WeakPolarHBondContact O-CB 3.41Å; Q98-A102 PolarHBondContact O-N 3.32Å; A102-N196 PolarHBondContact O-ND2 2.99Å
103	P	98.8	Very high	97	Very high	7 Å²	7	32.7 Å²	32.7	5%	0.045	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-56.3	140.8	174	-26.9	36.8	0	0	0	112.1	L146 S147 D197 Y199 I466 Y467	P103-L146 HydrophobicContact CB-CD2 4.43Å; P103-S147 PolarHBondContact O-N 2.82Å; P103-D197 CarbonylContact C-O 3.56Å; P103-D197 VanDerWaalsContact CA-O 3.22Å; P103-D197 WeakPolarHBondContact CA-O 3.25Å; P103-D197 HydrophobicContact CB-CB 4.14Å; P103-D197 WeakPolarHBondContact CB-O 3.28Å; P103-D197 HydrophobicContact CG-CB 4.29Å; P103-Y199 HydrophobicContact CB-CD2 4.18Å; P103-Y199 HydrophobicContact CB-CE2 4.25Å; P103-I466 HydrophobicContact CB-CG2 4.03Å; P103-I466 HydrophobicContact CG-CG2 3.66Å; P103-Y467 VanDerWaalsContact CD-OH 3.31Å; P103-Y467 WeakPolarHBondContact CD-OH 3.42Å; P103-Y467 HydrophobicContact CG-CE1 4.2Å
104	V	98.9	Very high	96.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.4	170.2	179	0	0	0	0	108.9	F92 S147 F186 Y193 N196 D197 F198 Y199	F92-V104 HydrophobicContact CE2-CG1 4.47Å; V104-S147 CarbonylContact C-O 3.44Å; V104-S147 WeakPolarHBondContact CA-O 3.49Å; V104-F186 HydrophobicContact CG1-CE1 4.19Å; V104-Y193 HydrophobicContact CG2-CD1 3.57Å; V104-Y193 HydrophobicContact CG2-CG 3.94Å; V104-N196 HydrophobicContact CG2-CB 4.26Å; V104-D197 PolarHBondContact N-O 2.91Å; V104-F198 HydrophobicContact CB-CD2 4.06Å; V104-F198 HydrophobicContact CG1-CD2 3.92Å; V104-F198 HydrophobicContact CG1-CE2 4.12Å; V104-F198 WeakPolarHBondContact O-CA 3.36Å; V104-F198 WeakPolarHBondContact O-CD2 3.27Å; V104-Y199 PolarHBondContact O-N 3.44Å
105	V	98.9	Very high	96.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	110.3	-176.5	-178	0	0	0	0	109	L146 S147 M148 L149 Y199 T201 I466	V105-L146 HydrophobicContact CG2-CB 4.04Å; V105-L146 HydrophobicContact CG2-CD1 4.12Å; V105-L146 HydrophobicContact CG2-CD2 4.1Å; V105-L146 HydrophobicContact CG2-CG 4.3Å; V105-S147 PolarHBondContact N-O 3.07Å; V105-M148 HydrophobicContact CB-CE 4.29Å; V105-M148 HydrophobicContact CB-SD 3.78Å; V105-M148 HydrophobicContact CG1-CE 4.04Å; V105-M148 HydrophobicContact CG1-SD 4.05Å; V105-L149 PolarHBondContact O-N 2.81Å; V105-Y199 WeakPolarHBondContact CA-O 3.33Å; V105-T201 HydrophobicContact CG1-CG2 3.61Å; V105-T201 WeakPolarHBondContact CG1-OG1 3.44Å; V105-I466 HydrophobicContact CG2-CD1 4.47Å
106	L	98.9	Very high	96.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.8	167.5	171	61.3	0	0	0	108.8	L108 L149 I151 L183 F198 Y199 V200 T201	L106-L108 HydrophobicContact CD1-CD2 3.79Å; L106-L108 HydrophobicContact CD1-CG 4.27Å; L106-L108 HydrophobicContact CD2-CD1 4.21Å; L106-L108 HydrophobicContact CD2-CD2 4.15Å; L106-L108 HydrophobicContact CD2-CG 4.16Å; L106-L108 HydrophobicContact CG-CD2 4.05Å; L106-L108 HydrophobicContact CG-CG 4.01Å; L106-L149 CarbonylContact C-O 3.56Å; L106-L149 WeakPolarHBondContact CA-O 3.2Å; L106-L149 HydrophobicContact CD1-CD2 4.26Å; L106-L149 HydrophobicContact CD1-CG 4.09Å; L106-L149 WeakPolarHBondContact CD1-O 3.19Å; L106-I151 HydrophobicContact CD1-CB 4.2Å; L106-I151 HydrophobicContact CD1-CD1 3.68Å; L106-I151 HydrophobicContact CD1-CG1 3.73Å; L106-L183 HydrophobicContact CD2-CD1 4.21Å; L106-L183 HydrophobicContact CD2-CD2 4.22Å; L106-F198 HydrophobicContact CB-CE2 3.93Å; L106-F198 HydrophobicContact CB-CZ 3.76Å; L106-F198 HydrophobicContact CD2-CZ 4.28Å; L106-Y199 PolarHBondContact N-O 2.99Å; L106-V200 HydrophobicContact CD2-CG1 4.06Å; L106-T201 CarbonylContact O-C 3.55Å; L106-T201 WeakPolarHBondContact O-CA 3.24Å; L106-T201 WeakPolarHBondContact O-CB 3.46Å; L106-T201 PolarHBondContact O-N 3.38Å; L106-T201 VanDerWaalsContact O-O 3.09Å; L106-T201 PolarHBondContact O-OG1 3.21Å
107	W	98.9	Very high	96.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.7	168.3	178.8	-93.1	0	0	0	110.4	S116 E123 H124 W142 M148 L149 Y150 T201 E203	W107-S116 PolarHBondContact O-OG 3.18Å; W107-E123 WeakPolarHBondContact CZ2-OE1 3.33Å; W107-E123 WeakPolarHBondContact CZ2-OE2 3.25Å; W107-H124 AromaticContact CD2-CE1 3.67Å; W107-H124 AromaticContact CD2-NE2 3.17Å; W107-H124 AromaticContact CE2-NE2 3.3Å; W107-H124 VanDerWaalsContact CE2-NE2 3.3Å; W107-H124 AromaticContact CE3-CE1 3.78Å; W107-H124 AromaticContact CE3-NE2 3.28Å; W107-H124 VanDerWaalsContact CE3-NE2 3.28Å; W107-H124 AromaticContact CG-CE1 3.95Å; W107-H124 AromaticContact CG-NE2 3.84Å; W107-H124 AromaticContact CH2-NE2 3.6Å; W107-H124 AromaticContact CZ2-NE2 3.52Å; W107-H124 AromaticContact CZ3-NE2 3.5Å; W107-H124 WeakPolarHBondContact CZ3-NE2 3.47Å; W107-H124 AromaticContact NE1-NE2 3.98Å; W107-W142 HydrophobicContact CE3-CH2 4.46Å; W107-W142 HydrophobicContact CE3-CZ3 4.06Å; W107-W142 AromaticContact CZ3-CH2 3.96Å; W107-W142 HydrophobicContact CZ3-CH2 3.96Å; W107-W142 HydrophobicContact CZ3-CZ3 4.04Å; W107-M148 HydrophobicContact CB-CE 4.1Å; W107-L149 PolarHBondContact N-O 2.83Å; W107-Y150 HydrophobicContact CB-CD1 3.78Å; W107-Y150 HydrophobicContact CB-CE1 3.89Å; W107-Y150 AromaticContact CD1-CD1 3.61Å; W107-Y150 AromaticContact CD1-CE1 3.83Å; W107-Y150 AromaticContact CG-CD1 3.92Å; W107-Y150 HydrophobicContact CG-CD1 3.92Å; W107-Y150 AromaticContact CG-CE1 3.89Å; W107-Y150 HydrophobicContact CG-CE1 3.89Å; W107-T201 CarbonylContact C-O 3.59Å; W107-T201 WeakPolarHBondContact CA-O 3.49Å; W107-E203 HydrophobicContact CH2-CB 4.05Å; W107-E203 HydrophobicContact CH2-CG 4.05Å; W107-E203 HydrophobicContact CZ2-CB 4.27Å; W107-E203 HydrophobicContact CZ2-CG 3.77Å
108	L	98.9	Very high	96.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116	175.1	-59.4	177.7	0	0	0	109.2	L106 I151 N153 L179 V200 T201 G202 E203 A206 V210	L106-L108 HydrophobicContact CD1-CD2 3.79Å; L106-L108 HydrophobicContact CD1-CG 4.27Å; L106-L108 HydrophobicContact CD2-CD1 4.21Å; L106-L108 HydrophobicContact CD2-CD2 4.15Å; L106-L108 HydrophobicContact CD2-CG 4.16Å; L106-L108 HydrophobicContact CG-CD2 4.05Å; L106-L108 HydrophobicContact CG-CG 4.01Å; L108-I151 HydrophobicContact CD2-CB 4.36Å; L108-N153 HydrophobicContact CD2-CB 3.98Å; L108-L179 HydrophobicContact CD1-CD1 3.81Å; L108-L179 HydrophobicContact CD2-CD1 4.41Å; L108-L179 HydrophobicContact CD2-CD2 4.02Å; L108-V200 HydrophobicContact CD1-CG1 4.36Å; L108-T201 PolarHBondContact N-O 3.23Å; L108-G202 WeakPolarHBondContact O-CA 3.45Å; L108-E203 PolarHBondContact O-N 3.22Å; L108-A206 HydrophobicContact CB-CB 4.04Å; L108-A206 VanDerWaalsContact O-CB 3.23Å; L108-A206 WeakPolarHBondContact O-CB 3.38Å; L108-V210 HydrophobicContact CD1-CG2 4.38Å
109	Q	98.1	Very high	97.1	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.019	8%	0.083	C	C	.	.			trans	-71	154.6	165.4	-171	47.1	-95	0	0	109.8	Y28 S116 F118 E123 E203	Y28-Q109 WeakPolarHBondContact OH-CG 3.3Å; Q109-S116 PolarHBondContact N-OG 2.99Å; Q109-S116 VanDerWaalsContact N-OG 3.07Å; Q109-F118 HydrophobicContact CG-CB 4.42Å; Q109-E123 PolarHBondContact NE2-OE1 3.01Å; Q109-E203 PolarHBondContact NE2-OE1 3.03Å; Q109-E203 PolarHBondContact OE1-OE1 2.95Å
110	G	96.1	Very high	97.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.071	C	C	.	.			trans	-86.2	-116.1	-178.2	0	0	0	0	0	113	G113 G114 E203	G110-G113 PolarHBondContact O-N 3.03Å; G110-G114 PolarHBondContact O-N 2.87Å; G110-E203 WeakPolarHBondContact CA-O 3.34Å; G110-E203 PolarHBondContact N-O 3.01Å
111	G	90.8	Very high	97.3	Very high	4 Å²	4	7.6 Å²	7.6	4%	0.041	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.5	-120.4	-162.8	0	0	0	0	0	110.3	F24 Y205	F24-G111 VanDerWaalsContact CD2-CA 3.46Å; F24-G111 WeakPolarHBondContact CE2-O 3.49Å; F24-G111 VanDerWaalsContact CZ-CA 3.43Å; F24-G111 WeakPolarHBondContact CZ-O 2.82Å; G111-Y205 VanDerWaalsContact C-CB 3.49Å; G111-Y205 WeakPolarHBondContact O-CB 3.37Å
112	P	93.9	Very high	97.5	Very high	1 Å²	1	1.7 Å²	1.7	1%	0.006	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	cis	-80.6	145.7	34.9	27.7	-36.8	0	0	0	113.9	Y205 Y209 V355 E356 L359	P112-Y205 HydrophobicContact CB-CD1 3.91Å; P112-Y205 HydrophobicContact CB-CE1 3.8Å; P112-Y205 HydrophobicContact CB-CG 4.33Å; P112-Y205 HydrophobicContact CG-CD1 4.46Å; P112-Y205 HydrophobicContact CG-CD2 4.43Å; P112-Y205 HydrophobicContact CG-CE1 4.19Å; P112-Y205 HydrophobicContact CG-CE2 4.1Å; P112-Y209 WeakPolarHBondContact CA-OH 3.36Å; P112-Y209 WeakPolarHBondContact CB-OH 3.17Å; P112-V355 HydrophobicContact CB-CG1 4.44Å; P112-E356 HydrophobicContact CG-CB 4.16Å; P112-E356 HydrophobicContact CG-CG 3.98Å; P112-L359 HydrophobicContact CB-CB 4.09Å; P112-L359 HydrophobicContact CB-CD1 3.65Å; P112-L359 HydrophobicContact CG-CB 3.97Å; P112-L359 HydrophobicContact CG-CD1 4.45Å
113	G	94.3	Very high	97.5	Very high	1 Å²	1	1.5 Å²	1.5	1%	0.01	1%	0.01	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.6	1.8	178.3	0	0	0	0	0	115.6	G110 T157 G352	G110-G113 PolarHBondContact O-N 3.03Å; G113-T157 VanDerWaalsContact CA-OG1 3.31Å; G113-T157 WeakPolarHBondContact CA-OG1 3.48Å; G113-T157 VanDerWaalsContact O-CG2 3.3Å; G113-T157 WeakPolarHBondContact O-CG2 3.42Å; G113-G352 WeakPolarHBondContact O-CA 3.24Å
114	G	94.8	Very high	97.5	Very high	0 Å²	0	1.2 Å²	1.2	0%	0	1%	0.008	C	C	.	.			trans	-74.3	130.3	178.5	0	0	0	0	0	111.9	G110 T157	G110-G114 PolarHBondContact O-N 2.87Å; G114-T157 VanDerWaalsContact C-CG2 3.49Å; G114-T157 VanDerWaalsContact O-CG2 3.31Å; G114-T157 WeakPolarHBondContact O-CG2 3.45Å
115	S	98.1	Very high	97.5	Very high	1 Å²	1	1.2 Å²	1.2	1%	0.007	1%	0.008	C	C	.	.			trans	-70.3	134.5	-180	171.1	0	0	0	0	111.9	M117 F118 D152 F349	S115-M117 PolarHBondContact O-N 3.44Å; S115-M117 VanDerWaalsContact O-N 3.15Å; S115-M117 VanDerWaalsContact OG-CB 3.29Å; S115-M117 WeakPolarHBondContact OG-CB 3.03Å; S115-M117 WeakPolarHBondContact OG-CG 3.37Å; S115-M117 PolarHBondContact OG-N 2.92Å; S115-M117 VanDerWaalsContact OG-N 3.14Å; S115-F118 WeakPolarHBondContact O-CB 3.33Å; S115-F118 PolarHBondContact O-N 3.19Å; S115-D152 WeakPolarHBondContact CA-OD1 3.15Å; S115-D152 WeakPolarHBondContact CB-OD1 3.4Å; S115-D152 PolarHBondContact OG-OD1 2.99Å; S115-F349 WeakPolarHBondContact OG-CZ 3.26Å
116	S	98.8	Very high	97.4	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.6	174.1	-67.1	0	0	0	0	113	W107 Q109 F118 G119 L120 Y150 I151 D152	W107-S116 PolarHBondContact O-OG 3.18Å; Q109-S116 PolarHBondContact N-OG 2.99Å; Q109-S116 VanDerWaalsContact N-OG 3.07Å; S116-F118 PolarHBondContact O-N 3.46Å; S116-G119 PolarHBondContact O-N 2.95Å; S116-L120 PolarHBondContact O-N 3.31Å; S116-Y150 WeakPolarHBondContact O-CD1 3.34Å; S116-I151 WeakPolarHBondContact CB-O 3.37Å; S116-I151 PolarHBondContact OG-O 3.4Å; S116-D152 PolarHBondContact N-OD1 3.19Å
117	M	98.5	Very high	97.4	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-64.1	-24.3	167.1	-58.6	-58.1	96.5	0	0	111.9	F89 W91 S115 L120 F121 Y329 L333 F349	F89-M117 HydrophobicContact CE1-CE 4.18Å; F89-M117 HydrophobicContact CE1-SD 3.92Å; W91-M117 HydrophobicContact CB-CE 4.1Å; W91-M117 HydrophobicContact CE3-SD 3.55Å; W91-M117 VanDerWaalsContact CE3-SD 3.55Å; W91-M117 HydrophobicContact CZ3-SD 4.13Å; S115-M117 PolarHBondContact O-N 3.44Å; S115-M117 VanDerWaalsContact O-N 3.15Å; S115-M117 VanDerWaalsContact OG-CB 3.29Å; S115-M117 WeakPolarHBondContact OG-CB 3.03Å; S115-M117 WeakPolarHBondContact OG-CG 3.37Å; S115-M117 PolarHBondContact OG-N 2.92Å; S115-M117 VanDerWaalsContact OG-N 3.14Å; M117-L120 HydrophobicContact CE-CD1 4.39Å; M117-L120 PolarHBondContact O-N 2.82Å; M117-L120 HydrophobicContact SD-CD1 4.41Å; M117-F121 HydrophobicContact CB-CD2 4.29Å; M117-F121 HydrophobicContact CB-CE2 4.48Å; M117-F121 VanDerWaalsContact O-CD2 3.27Å; M117-F121 WeakPolarHBondContact O-CD2 3.37Å; M117-F121 PolarHBondContact O-N 2.88Å; M117-Y329 HydrophobicContact CB-CD2 4.11Å; M117-Y329 HydrophobicContact CB-CE2 4.07Å; M117-L333 HydrophobicContact CB-CD1 3.97Å; M117-L333 HydrophobicContact CG-CD1 4.08Å; M117-F349 HydrophobicContact CG-CE2 4.33Å
118	F	98.4	Very high	97.3	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-61	-51.3	170.8	-174.2	-86	0	0	0	111	L27 Y28 Q109 S115 S116 L120 F121 V122 E123 Q326 Y329 I449	L27-F118 HydrophobicContact CD2-CE2 3.74Å; L27-F118 HydrophobicContact CD2-CZ 3.81Å; Y28-F118 HydrophobicContact CE1-CB 3.79Å; Y28-F118 HydrophobicContact CE1-CD2 4.04Å; Y28-F118 HydrophobicContact CE1-CG 4.08Å; Q109-F118 HydrophobicContact CG-CB 4.42Å; S115-F118 WeakPolarHBondContact O-CB 3.33Å; S115-F118 PolarHBondContact O-N 3.19Å; S116-F118 PolarHBondContact O-N 3.46Å; F118-L120 PolarHBondContact O-N 3.42Å; F118-F121 PolarHBondContact O-N 3.28Å; F118-V122 HydrophobicContact CD1-CB 4.17Å; F118-V122 HydrophobicContact CD1-CG2 4.46Å; F118-V122 HydrophobicContact CD2-CB 4.36Å; F118-V122 HydrophobicContact CD2-CG2 3.8Å; F118-V122 HydrophobicContact CE1-CB 4.02Å; F118-V122 HydrophobicContact CE1-CG1 3.97Å; F118-V122 HydrophobicContact CE1-CG2 4.48Å; F118-V122 HydrophobicContact CE2-CB 4.21Å; F118-V122 HydrophobicContact CE2-CG1 4.19Å; F118-V122 HydrophobicContact CE2-CG2 3.82Å; F118-V122 HydrophobicContact CG-CB 4.33Å; F118-V122 HydrophobicContact CG-CG2 4.14Å; F118-V122 HydrophobicContact CZ-CB 4.05Å; F118-V122 HydrophobicContact CZ-CG1 3.73Å; F118-V122 HydrophobicContact CZ-CG2 4.17Å; F118-V122 WeakPolarHBondContact O-CA 3.36Å; F118-V122 WeakPolarHBondContact O-CB 3.47Å; F118-V122 PolarHBondContact O-N 3.49Å; F118-E123 HydrophobicContact CD1-CG 4.16Å; F118-E123 WeakPolarHBondContact CD1-OE1 3.5Å; F118-E123 HydrophobicContact CE1-CG 4.05Å; F118-Q326 HydrophobicContact CE2-CB 4.08Å; F118-Q326 HydrophobicContact CZ-CB 4.43Å; F118-Y329 HydrophobicContact CB-CE1 4.47Å; F118-Y329 AromaticContact CD2-CE1 3.7Å; F118-Y329 HydrophobicContact CD2-CE1 3.7Å; F118-I449 HydrophobicContact CE1-CD1 3.93Å; F118-I449 HydrophobicContact CE1-CG1 4.3Å; F118-I449 HydrophobicContact CE1-CG2 3.7Å; F118-I449 HydrophobicContact CZ-CD1 4.23Å; F118-I449 HydrophobicContact CZ-CG1 4.31Å; F118-I449 HydrophobicContact CZ-CG2 4.16Å
119	G	98.4	Very high	97.2	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.018	C	C	.	.	I	π-helix	trans	-63.5	-31.3	177	0	0	0	0	0	114.1	S116 E123 H124 G125	S116-G119 PolarHBondContact O-N 2.95Å; G119-E123 WeakPolarHBondContact CA-OE1 3.27Å; G119-E123 PolarHBondContact N-OE1 3.03Å; G119-E123 PolarHBondContact O-N 3.39Å; G119-H124 PolarHBondContact O-N 3.45Å; G119-H124 VanDerWaalsContact O-N 3.08Å; G119-G125 PolarHBondContact O-N 2.91Å
120	L	98.7	Very high	97.2	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.005	3%	0.027	C	C	.	.	I	π-helix	trans	-66.4	-47	174.2	-175.9	150.7	0	0	0	112.4	W91 F93 S116 M117 F118 G125 Y150	W91-L120 HydrophobicContact CB-CD1 4.43Å; W91-L120 HydrophobicContact CD2-CD1 4.13Å; W91-L120 HydrophobicContact CE3-CD1 4.06Å; W91-L120 HydrophobicContact CG-CD1 4.33Å; F93-L120 HydrophobicContact CD2-CD1 4.12Å; F93-L120 HydrophobicContact CE2-CD1 3.31Å; F93-L120 HydrophobicContact CE2-CG 4.34Å; F93-L120 HydrophobicContact CZ-CD1 3.89Å; S116-L120 PolarHBondContact O-N 3.31Å; M117-L120 HydrophobicContact CE-CD1 4.39Å; M117-L120 PolarHBondContact O-N 2.82Å; M117-L120 HydrophobicContact SD-CD1 4.41Å; F118-L120 PolarHBondContact O-N 3.42Å; L120-G125 WeakPolarHBondContact O-CA 3.45Å; L120-G125 PolarHBondContact O-N 3.36Å; L120-Y150 HydrophobicContact CB-CD1 3.92Å; L120-Y150 HydrophobicContact CB-CD2 4.28Å; L120-Y150 HydrophobicContact CB-CE1 3.89Å; L120-Y150 HydrophobicContact CB-CE2 4.24Å; L120-Y150 HydrophobicContact CB-CG 4.12Å; L120-Y150 HydrophobicContact CD1-CD2 3.68Å; L120-Y150 HydrophobicContact CD1-CE2 3.97Å; L120-Y150 HydrophobicContact CD1-CG 4.08Å; L120-Y150 HydrophobicContact CG-CD2 4.33Å; L120-Y150 HydrophobicContact CG-CE2 4.21Å
121	F	98.4	Very high	97.1	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.018	5%	0.053	C	C	.	.	I	π-helix	trans	-98.6	-26.1	-171.2	-73.5	-62.4	0	0	0	115.1	W91 M117 F118 V129 L135 R138 Y329 L332 L333	W91-F121 AromaticContact CH2-CZ 3.86Å; W91-F121 HydrophobicContact CH2-CZ 3.86Å; W91-F121 AromaticContact CZ3-CE2 3.99Å; W91-F121 HydrophobicContact CZ3-CE2 3.99Å; W91-F121 AromaticContact CZ3-CZ 3.74Å; W91-F121 HydrophobicContact CZ3-CZ 3.74Å; M117-F121 HydrophobicContact CB-CD2 4.29Å; M117-F121 HydrophobicContact CB-CE2 4.48Å; M117-F121 VanDerWaalsContact O-CD2 3.27Å; M117-F121 WeakPolarHBondContact O-CD2 3.37Å; M117-F121 PolarHBondContact O-N 2.88Å; F118-F121 PolarHBondContact O-N 3.28Å; F121-V129 HydrophobicContact CB-CG2 3.86Å; F121-V129 HydrophobicContact CD1-CG2 3.52Å; F121-V129 HydrophobicContact CE1-CG2 4.28Å; F121-V129 HydrophobicContact CG-CG2 3.82Å; F121-L135 HydrophobicContact CD1-CD2 3.96Å; F121-L135 HydrophobicContact CE1-CD1 4.39Å; F121-L135 HydrophobicContact CE1-CD2 3.69Å; F121-R138 PolarHBondContact O-NH2 3.06Å; F121-Y329 VanDerWaalsContact CB-CB 3.48Å; F121-Y329 HydrophobicContact CB-CG 4.16Å; F121-Y329 HydrophobicContact CD2-CD2 4.09Å; F121-Y329 HydrophobicContact CD2-CG 4.22Å; F121-L332 HydrophobicContact CE1-CD2 3.99Å; F121-L332 HydrophobicContact CZ-CD2 4.13Å; F121-L333 HydrophobicContact CE2-CD1 4.49Å; F121-L333 HydrophobicContact CE2-CD2 4.07Å; F121-L333 HydrophobicContact CE2-CG 4.36Å
122	V	98.3	Very high	97.3	Very high	9 Å²	9	14.3 Å²	14.3	6%	0.055	9%	0.085	C	C	.	.	I	π-helix	trans	-99.2	-45.1	-175.5	-178.5	0	0	0	0	110.4	F118 R138 Q326 Y329 I449 Y452	F118-V122 HydrophobicContact CD1-CB 4.17Å; F118-V122 HydrophobicContact CD1-CG2 4.46Å; F118-V122 HydrophobicContact CD2-CB 4.36Å; F118-V122 HydrophobicContact CD2-CG2 3.8Å; F118-V122 HydrophobicContact CE1-CB 4.02Å; F118-V122 HydrophobicContact CE1-CG1 3.97Å; F118-V122 HydrophobicContact CE1-CG2 4.48Å; F118-V122 HydrophobicContact CE2-CB 4.21Å; F118-V122 HydrophobicContact CE2-CG1 4.19Å; F118-V122 HydrophobicContact CE2-CG2 3.82Å; F118-V122 HydrophobicContact CG-CB 4.33Å; F118-V122 HydrophobicContact CG-CG2 4.14Å; F118-V122 HydrophobicContact CZ-CB 4.05Å; F118-V122 HydrophobicContact CZ-CG1 3.73Å; F118-V122 HydrophobicContact CZ-CG2 4.17Å; F118-V122 WeakPolarHBondContact O-CA 3.36Å; F118-V122 WeakPolarHBondContact O-CB 3.47Å; F118-V122 PolarHBondContact O-N 3.49Å; V122-R138 PolarHBondContact O-NH1 2.97Å; V122-R138 PolarHBondContact O-NH2 3.02Å; V122-Q326 HydrophobicContact CG1-CB 4.24Å; V122-Q326 HydrophobicContact CG1-CG 3.76Å; V122-Q326 HydrophobicContact CG2-CB 4.46Å; V122-Y329 HydrophobicContact CG2-CD1 4.01Å; V122-Y329 HydrophobicContact CG2-CE1 4.41Å; V122-I449 HydrophobicContact CG1-CG2 4.43Å; V122-Y452 HydrophobicContact CG1-CD2 3.73Å; V122-Y452 HydrophobicContact CG1-CE2 4.37Å; V122-Y452 HydrophobicContact CG1-CG 4.23Å
123	E	98.6	Very high	97.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-94.1	-73	-164.9	-58.2	179.5	-110.6	0	0	113.8	W107 Q109 F118 G119 R138 E203 I449 P451	W107-E123 WeakPolarHBondContact CZ2-OE1 3.33Å; W107-E123 WeakPolarHBondContact CZ2-OE2 3.25Å; Q109-E123 PolarHBondContact NE2-OE1 3.01Å; F118-E123 HydrophobicContact CD1-CG 4.16Å; F118-E123 WeakPolarHBondContact CD1-OE1 3.5Å; F118-E123 HydrophobicContact CE1-CG 4.05Å; G119-E123 WeakPolarHBondContact CA-OE1 3.27Å; G119-E123 PolarHBondContact N-OE1 3.03Å; G119-E123 PolarHBondContact O-N 3.39Å; E123-R138 VanDerWaalsContact O-CZ 3.3Å; E123-R138 PolarHBondContact O-NH1 3.47Å; E123-E203 VanDerWaalsContact OE2-OE2 3.09Å; E123-I449 HydrophobicContact CG-CG2 3.56Å; E123-P451 HydrophobicContact CB-CB 4.07Å; E123-P451 HydrophobicContact CB-CG 4.32Å
124	H	98.6	Very high	97.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.11	C	C	.	.	S	Bend	trans	-145	4.1	-162.6	62	75	0	0	0	114.7	W107 G119 P141 W142 Y150 P451	W107-H124 AromaticContact CD2-CE1 3.67Å; W107-H124 AromaticContact CD2-NE2 3.17Å; W107-H124 AromaticContact CE2-NE2 3.3Å; W107-H124 VanDerWaalsContact CE2-NE2 3.3Å; W107-H124 AromaticContact CE3-CE1 3.78Å; W107-H124 AromaticContact CE3-NE2 3.28Å; W107-H124 VanDerWaalsContact CE3-NE2 3.28Å; W107-H124 AromaticContact CG-CE1 3.95Å; W107-H124 AromaticContact CG-NE2 3.84Å; W107-H124 AromaticContact CH2-NE2 3.6Å; W107-H124 AromaticContact CZ2-NE2 3.52Å; W107-H124 AromaticContact CZ3-NE2 3.5Å; W107-H124 WeakPolarHBondContact CZ3-NE2 3.47Å; W107-H124 AromaticContact NE1-NE2 3.98Å; G119-H124 PolarHBondContact O-N 3.45Å; G119-H124 VanDerWaalsContact O-N 3.08Å; H124-P141 WeakPolarHBondContact O-CA 3.16Å; H124-W142 HydrophobicContact CB-CB 4.5Å; H124-W142 HydrophobicContact CB-CD2 4.06Å; H124-W142 HydrophobicContact CB-CG 3.83Å; H124-W142 AromaticContact CE1-CE3 3.85Å; H124-W142 AromaticContact CG-CD2 3.77Å; H124-W142 AromaticContact CG-CE2 3.94Å; H124-W142 AromaticContact CG-CG 3.93Å; H124-W142 AromaticContact ND1-CD2 3.61Å; H124-W142 AromaticContact ND1-CE3 3.73Å; H124-W142 AromaticContact ND1-CG 3.73Å; H124-W142 PolarHBondContact O-N 3.27Å; H124-Y150 AromaticContact CE1-CE1 3.7Å; H124-Y150 AromaticContact CE1-CZ 3.95Å; H124-Y150 PolarHBondContact CE1-OH 3.29Å; H124-Y150 PolarHBondContact ND1-OH 2.91Å; H124-P451 HydrophobicContact CB-CB 3.84Å; H124-P451 HydrophobicContact CB-CG 4.47Å
125	G	98.4	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-68.7	176.4	168.9	0	0	0	0	0	112.7	G119 L120 Y127 R138 Y150	G119-G125 PolarHBondContact O-N 2.91Å; L120-G125 WeakPolarHBondContact O-CA 3.45Å; L120-G125 PolarHBondContact O-N 3.36Å; G125-Y127 PolarHBondContact O-N 3.01Å; G125-Y127 VanDerWaalsContact O-N 3.12Å; G125-R138 VanDerWaalsContact O-CD 3.23Å; G125-R138 WeakPolarHBondContact O-CD 3.48Å; G125-R138 PolarHBondContact O-NE 3.47Å; G125-Y150 VanDerWaalsContact CA-OH 3.29Å; G125-Y150 WeakPolarHBondContact CA-OH 3.46Å
126	P	97.9	Very high	97.5	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.013	14%	0.137	C	C	.	.	S	Bend	trans	-64.7	-20.3	-169.8	20.4	-27.7	0	0	0	114.3	M71 F93 R138 T143	M71-P126 HydrophobicContact SD-CB 3.87Å; M71-P126 HydrophobicContact SD-CG 4.09Å; F93-P126 HydrophobicContact CD1-CG 3.72Å; F93-P126 HydrophobicContact CE1-CG 3.68Å; F93-P126 HydrophobicContact CG-CG 4.42Å; F93-P126 HydrophobicContact CZ-CG 4.39Å; P126-R138 PolarHBondContact O-N 3.09Å; P126-T143 HydrophobicContact CG-CG2 4.36Å
127	Y	97.9	Very high	97.5	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	155.4	-168.7	-58.8	-66.5	0	0	0	113.3	L69 N70 M71 F93 G125 L135 R136 D137 R138	L69-Y127 HydrophobicContact CB-CE2 4.41Å; L69-Y127 HydrophobicContact CD1-CD2 4.24Å; L69-Y127 HydrophobicContact CD1-CE2 3.9Å; L69-Y127 HydrophobicContact CG-CE2 3.82Å; N70-Y127 PolarHBondContact N-OH 3.15Å; N70-Y127 VanDerWaalsContact N-OH 3.1Å; M71-Y127 HydrophobicContact CB-CE2 4.21Å; M71-Y127 WeakPolarHBondContact CB-OH 2.98Å; M71-Y127 PolarHBondContact N-OH 2.99Å; F93-Y127 HydrophobicContact CE1-CE2 4.44Å; G125-Y127 PolarHBondContact O-N 3.01Å; G125-Y127 VanDerWaalsContact O-N 3.12Å; Y127-L135 HydrophobicContact CD1-CB 4.17Å; Y127-L135 HydrophobicContact CD2-CD1 4.3Å; Y127-L135 HydrophobicContact CG-CB 4.2Å; Y127-L135 HydrophobicContact CG-CD1 4.31Å; Y127-R136 CarbonylContact C-O 3.6Å; Y127-R136 VanDerWaalsContact CA-O 3.26Å; Y127-R136 WeakPolarHBondContact CA-O 3.44Å; Y127-D137 VanDerWaalsContact CE1-OD1 3.23Å; Y127-D137 WeakPolarHBondContact CE1-OD1 3.35Å; Y127-R138 PolarHBondContact O-NH2 3.24Å
128	V	97.1	Very high	97.4	Very high	20 Å²	20	32.2 Å²	32.2	12%	0.121	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.9	165.1	179.5	0	0	0	0	108	R136 R138	V128-R136 HydrophobicContact CB-CG 3.91Å; V128-R136 PolarHBondContact N-O 3.29Å; V128-R136 PolarHBondContact O-N 2.8Å; V128-R138 HydrophobicContact CG2-CB 4.25Å; V128-R138 HydrophobicContact CG2-CG 4.37Å
129	V	97.8	Very high	97.4	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.055	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.5	175	-170.6	0	0	0	0	109.3	F121 L135 L332	F121-V129 HydrophobicContact CB-CG2 3.86Å; F121-V129 HydrophobicContact CD1-CG2 3.52Å; F121-V129 HydrophobicContact CE1-CG2 4.28Å; F121-V129 HydrophobicContact CG-CG2 3.82Å; V129-L135 HydrophobicContact CG2-CD2 3.81Å; V129-L332 HydrophobicContact CG1-CB 4Å; V129-L332 HydrophobicContact CG1-CD2 4.15Å; V129-L332 HydrophobicContact CG2-CD2 3.87Å
130	T	96.8	Very high	97.3	Very high	32 Å²	32	41.7 Å²	41.7	20%	0.196	22%	0.218	C	C	.	.			trans	-85.8	165.2	176.8	74.5	0	0	0	0	111.1	N132 L133 T134 R136	T130-N132 PolarHBondContact O-N 2.87Å; T130-N132 VanDerWaalsContact O-N 3.13Å; T130-N132 PolarHBondContact OG1-N 3.43Å; T130-L133 PolarHBondContact O-N 2.87Å; T130-T134 PolarHBondContact N-O 2.85Å; T130-T134 PolarHBondContact OG1-N 2.94Å; T130-T134 PolarHBondContact OG1-O 2.88Å; T130-T134 PolarHBondContact OG1-OG1 3.29Å; T130-R136 HydrophobicContact CG2-CB 4.45Å; T130-R136 HydrophobicContact CG2-CG 4.21Å
131	S	95.3	Very high	97.3	Very high	79 Å²	79	42 Å²	42	55%	0.552	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.9	174.3	52.8	0	0	0	0	113.7	L133 Y328	S131-L133 VanDerWaalsContact C-N 3.26Å; S131-L133 PolarHBondContact O-N 2.74Å; S131-Y328 VanDerWaalsContact CA-CE2 3.4Å
132	N	95.4	Very high	97.3	Very high	133 Å²	133	41.9 Å²	41.9	71%	0.711	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	9.6	175.7	-66.9	-16.2	0	0	0	113	T130 T134	T130-N132 PolarHBondContact O-N 2.87Å; T130-N132 VanDerWaalsContact O-N 3.13Å; T130-N132 PolarHBondContact OG1-N 3.43Å; N132-T134 VanDerWaalsContact C-N 3.29Å; N132-T134 PolarHBondContact O-N 2.93Å
133	L	95	Very high	97.4	Very high	40 Å²	40	41.5 Å²	41.5	21%	0.209	22%	0.217	C	C	.	.	S	Bend	trans	57.8	40	-178.2	-49	-177.9	0	0	0	112.9	T130 S131 K331 L332 L335	T130-L133 PolarHBondContact O-N 2.87Å; S131-L133 VanDerWaalsContact C-N 3.26Å; S131-L133 PolarHBondContact O-N 2.74Å; L133-K331 HydrophobicContact CD1-CB 4.1Å; L133-K331 HydrophobicContact CD2-CB 3.6Å; L133-K331 HydrophobicContact CD2-CD 4.39Å; L133-L332 HydrophobicContact CB-CD1 4.29Å; L133-L332 WeakPolarHBondContact O-CD1 3.36Å; L133-L335 HydrophobicContact CB-CD1 4.26Å
134	T	96.1	Very high	97.4	Very high	56 Å²	56	42.9 Å²	42.9	34%	0.344	23%	0.226	S	C	.	.			trans	-117	164.1	169.2	60.4	0	0	0	0	109.8	T130 N132	T130-T134 PolarHBondContact N-O 2.85Å; T130-T134 PolarHBondContact OG1-N 2.94Å; T130-T134 PolarHBondContact OG1-O 2.88Å; T130-T134 PolarHBondContact OG1-OG1 3.29Å; N132-T134 VanDerWaalsContact C-N 3.29Å; N132-T134 PolarHBondContact O-N 2.93Å
135	L	97.6	Very high	97.4	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.073	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.2	178.1	-61.6	175.3	0	0	0	111.1	F66 L67 L69 F121 Y127 V129 L332	F66-L135 HydrophobicContact CE2-CD1 3.87Å; F66-L135 HydrophobicContact CZ-CD1 4.38Å; L67-L135 PolarHBondContact O-N 2.88Å; L69-L135 HydrophobicContact CB-CD1 3.71Å; L69-L135 HydrophobicContact CD1-CD1 4.15Å; L69-L135 HydrophobicContact CG-CD1 4.49Å; F121-L135 HydrophobicContact CD1-CD2 3.96Å; F121-L135 HydrophobicContact CE1-CD1 4.39Å; F121-L135 HydrophobicContact CE1-CD2 3.69Å; Y127-L135 HydrophobicContact CD1-CB 4.17Å; Y127-L135 HydrophobicContact CD2-CD1 4.3Å; Y127-L135 HydrophobicContact CG-CB 4.2Å; Y127-L135 HydrophobicContact CG-CD1 4.31Å; V129-L135 HydrophobicContact CG2-CD2 3.81Å; L135-L332 HydrophobicContact CD2-CD2 3.56Å; L135-L332 HydrophobicContact CG-CD2 4.14Å
136	R	96.5	Very high	97.4	Very high	128 Å²	128	43.7 Å²	43.7	48%	0.483	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153.9	166	68.4	174.6	-176.2	87	-7.1	109.9	Y127 V128 T130	Y127-R136 CarbonylContact C-O 3.6Å; Y127-R136 VanDerWaalsContact CA-O 3.26Å; Y127-R136 WeakPolarHBondContact CA-O 3.44Å; V128-R136 HydrophobicContact CB-CG 3.91Å; V128-R136 PolarHBondContact N-O 3.29Å; V128-R136 PolarHBondContact O-N 2.8Å; T130-R136 HydrophobicContact CG2-CB 4.45Å; T130-R136 HydrophobicContact CG2-CG 4.21Å
137	D	97.3	Very high	97.4	Very high	112 Å²	112	43.6 Å²	43.6	60%	0.599	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	144.7	175.6	-61.9	-36.4	0	0	0	111.5	Y127	Y127-D137 VanDerWaalsContact CE1-OD1 3.23Å; Y127-D137 WeakPolarHBondContact CE1-OD1 3.35Å
138	R	97.4	Very high	97.5	Very high	29 Å²	29	43.3 Å²	43.3	11%	0.109	23%	0.229	C	C	.	.			trans	-90.5	144.8	170.2	-172.7	177.9	-58.5	-90.4	-8.4	109.5	F121 V122 E123 G125 P126 Y127 V128 P141	F121-R138 PolarHBondContact O-NH2 3.06Å; V122-R138 PolarHBondContact O-NH1 2.97Å; V122-R138 PolarHBondContact O-NH2 3.02Å; E123-R138 VanDerWaalsContact O-CZ 3.3Å; E123-R138 PolarHBondContact O-NH1 3.47Å; G125-R138 VanDerWaalsContact O-CD 3.23Å; G125-R138 WeakPolarHBondContact O-CD 3.48Å; G125-R138 PolarHBondContact O-NE 3.47Å; P126-R138 PolarHBondContact O-N 3.09Å; Y127-R138 PolarHBondContact O-NH2 3.24Å; V128-R138 HydrophobicContact CG2-CB 4.25Å; V128-R138 HydrophobicContact CG2-CG 4.37Å; R138-P141 HydrophobicContact CB-CB 4.31Å; R138-P141 WeakPolarHBondContact O-CD 3.35Å
139	D	97.1	Very high	97.6	Very high	130 Å²	130	42.3 Å²	42.3	70%	0.695	22%	0.223	S	C	*	.	S	Bend	trans	-72.3	-34.4	-176.7	-59.6	-33.6	0	0	0	113.4	P141	D139-P141 VanDerWaalsContact C-CD 3.48Å
140	F	98.2	Very high	97.6	Very high	70 Å²	70	41.9 Å²	41.9	31%	0.307	22%	0.22	S	C	.	.	S	Bend	trans	-129.4	59.5	-177.4	-54	-72.5	0	0	0	112.5	P455 L456 F459	F140-P455 HydrophobicContact CB-CB 4.41Å; F140-P455 HydrophobicContact CD2-CB 4.15Å; F140-P455 HydrophobicContact CD2-CG 4.38Å; F140-L456 HydrophobicContact CD1-CB 4.38Å; F140-L456 HydrophobicContact CD1-CD1 3.81Å; F140-L456 HydrophobicContact CD2-CB 3.87Å; F140-L456 HydrophobicContact CE1-CB 4.28Å; F140-L456 HydrophobicContact CE1-CD1 3.53Å; F140-L456 HydrophobicContact CE1-CG 4.35Å; F140-L456 HydrophobicContact CE2-CB 3.75Å; F140-L456 HydrophobicContact CG-CB 4.19Å; F140-L456 HydrophobicContact CG-CD1 4.43Å; F140-L456 HydrophobicContact CZ-CB 3.96Å; F140-L456 HydrophobicContact CZ-CD1 3.93Å; F140-L456 HydrophobicContact CZ-CD2 4.33Å; F140-L456 HydrophobicContact CZ-CG 4.27Å; F140-F459 HydrophobicContact CB-CB 3.9Å; F140-F459 HydrophobicContact CB-CG 4.16Å
141	P	98.3	Very high	97.7	Very high	8 Å²	8	40.4 Å²	40.4	5%	0.052	21%	0.211	C	C	.	.			trans	-77.5	138.3	-177.9	32.2	-29.1	0	0	0	110.1	H124 R138 D139 T143 T144 F459	H124-P141 WeakPolarHBondContact O-CA 3.16Å; R138-P141 HydrophobicContact CB-CB 4.31Å; R138-P141 WeakPolarHBondContact O-CD 3.35Å; D139-P141 VanDerWaalsContact C-CD 3.48Å; P141-T143 PolarHBondContact O-N 3.03Å; P141-T144 WeakPolarHBondContact CD-OG1 3.47Å; P141-T144 WeakPolarHBondContact CG-OG1 3.26Å; P141-T144 WeakPolarHBondContact O-CB 3.44Å; P141-T144 PolarHBondContact O-N 2.79Å; P141-T144 PolarHBondContact O-OG1 3.26Å; P141-F459 VanDerWaalsContact O-CE2 3.27Å; P141-F459 WeakPolarHBondContact O-CE2 3.48Å
142	W	98.8	Very high	97.9	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-62.1	-27.6	177.2	-75.2	20.2	0	0	0	112	W107 H124 T144 T145 L146 M148 P451 I462	W107-W142 HydrophobicContact CE3-CH2 4.46Å; W107-W142 HydrophobicContact CE3-CZ3 4.06Å; W107-W142 AromaticContact CZ3-CH2 3.96Å; W107-W142 HydrophobicContact CZ3-CH2 3.96Å; W107-W142 HydrophobicContact CZ3-CZ3 4.04Å; H124-W142 HydrophobicContact CB-CB 4.5Å; H124-W142 HydrophobicContact CB-CD2 4.06Å; H124-W142 HydrophobicContact CB-CG 3.83Å; H124-W142 AromaticContact CE1-CE3 3.85Å; H124-W142 AromaticContact CG-CD2 3.77Å; H124-W142 AromaticContact CG-CE2 3.94Å; H124-W142 AromaticContact CG-CG 3.93Å; H124-W142 AromaticContact ND1-CD2 3.61Å; H124-W142 AromaticContact ND1-CE3 3.73Å; H124-W142 AromaticContact ND1-CG 3.73Å; H124-W142 PolarHBondContact O-N 3.27Å; W142-T144 PolarHBondContact O-N 3.48Å; W142-T145 PolarHBondContact O-N 3.45Å; W142-L146 HydrophobicContact CB-CD1 4.31Å; W142-L146 HydrophobicContact CE3-CD1 4.38Å; W142-L146 WeakPolarHBondContact O-CB 3.23Å; W142-L146 PolarHBondContact O-N 3.25Å; W142-M148 HydrophobicContact CB-CG 4.27Å; W142-M148 HydrophobicContact CB-SD 3.87Å; W142-M148 HydrophobicContact CE3-CE 3.8Å; W142-M148 HydrophobicContact CE3-SD 4.08Å; W142-M148 HydrophobicContact CZ3-CE 4.48Å; W142-P451 HydrophobicContact CZ2-CG 4.4Å; W142-I462 HydrophobicContact CD2-CB 4.41Å; W142-I462 HydrophobicContact CD2-CG1 4.31Å; W142-I462 HydrophobicContact CD2-CG2 3.83Å; W142-I462 HydrophobicContact CE3-CG1 4.04Å; W142-I462 HydrophobicContact CE3-CG2 4.39Å; W142-I462 HydrophobicContact CG-CG2 4.15Å; W142-I462 HydrophobicContact CH2-CB 4.09Å; W142-I462 HydrophobicContact CH2-CD1 3.96Å; W142-I462 HydrophobicContact CH2-CG1 3.84Å; W142-I462 HydrophobicContact CZ2-CB 3.84Å; W142-I462 HydrophobicContact CZ2-CG1 4.09Å; W142-I462 HydrophobicContact CZ2-CG2 3.94Å; W142-I462 HydrophobicContact CZ3-CB 4.46Å; W142-I462 HydrophobicContact CZ3-CD1 4.05Å; W142-I462 HydrophobicContact CZ3-CG1 3.81Å
143	T	98.6	Very high	98	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-62.5	-8.6	173.8	56	0	0	0	0	114.4	F93 A95 Q96 P126 P141 T145 L146 M148	F93-T143 HydrophobicContact CB-CG2 3.69Å; F93-T143 HydrophobicContact CG-CG2 4.34Å; A95-T143 CarbonylContact C-O 3.48Å; A95-T143 WeakPolarHBondContact CA-O 3.15Å; Q96-T143 WeakPolarHBondContact CG-O 3.36Å; Q96-T143 PolarHBondContact N-O 3.41Å; P126-T143 HydrophobicContact CG-CG2 4.36Å; P141-T143 PolarHBondContact O-N 3.03Å; T143-T145 VanDerWaalsContact C-N 3.29Å; T143-T145 PolarHBondContact O-N 2.99Å; T143-L146 WeakPolarHBondContact CA-O 3.41Å; T143-M148 HydrophobicContact CG2-CB 3.86Å; T143-M148 HydrophobicContact CG2-CG 3.57Å
144	T	98.5	Very high	98.2	Very high	30 Å²	30	28.6 Å²	28.6	18%	0.184	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-57.6	-45	171.2	-54.2	0	0	0	0	111.1	I97 P141 W142 F459	I97-T144 WeakPolarHBondContact CB-O 2.85Å; I97-T144 HydrophobicContact CD1-CG2 3.88Å; I97-T144 HydrophobicContact CG1-CG2 4.46Å; I97-T144 WeakPolarHBondContact CG1-O 3.32Å; I97-T144 PolarHBondContact N-O 3.3Å; P141-T144 WeakPolarHBondContact CD-OG1 3.47Å; P141-T144 WeakPolarHBondContact CG-OG1 3.26Å; P141-T144 WeakPolarHBondContact O-CB 3.44Å; P141-T144 PolarHBondContact O-N 2.79Å; P141-T144 PolarHBondContact O-OG1 3.26Å; W142-T144 PolarHBondContact O-N 3.48Å; T144-F459 HydrophobicContact CG2-CZ 4.33Å
145	T	98.6	Very high	98.3	Very high	18 Å²	18	26 Å²	26	11%	0.11	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-5.3	-172	56.1	0	0	0	0	114	W142 T143 F459 N463 Y467	W142-T145 PolarHBondContact O-N 3.45Å; T143-T145 VanDerWaalsContact C-N 3.29Å; T143-T145 PolarHBondContact O-N 2.99Å; T145-F459 HydrophobicContact CG2-CZ 4.35Å; T145-N463 WeakPolarHBondContact CB-OD1 3.3Å; T145-N463 PolarHBondContact OG1-ND2 3.23Å; T145-N463 PolarHBondContact OG1-OD1 3.22Å; T145-Y467 PolarHBondContact O-OH 2.86Å
146	L	98.8	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-126.4	139.8	-175.5	-54.8	172.9	0	0	0	110.1	P103 V105 W142 T143 M148 I462 I466 Y467	P103-L146 HydrophobicContact CB-CD2 4.43Å; V105-L146 HydrophobicContact CG2-CB 4.04Å; V105-L146 HydrophobicContact CG2-CD1 4.12Å; V105-L146 HydrophobicContact CG2-CD2 4.1Å; V105-L146 HydrophobicContact CG2-CG 4.3Å; W142-L146 HydrophobicContact CB-CD1 4.31Å; W142-L146 HydrophobicContact CE3-CD1 4.38Å; W142-L146 WeakPolarHBondContact O-CB 3.23Å; W142-L146 PolarHBondContact O-N 3.25Å; T143-L146 WeakPolarHBondContact CA-O 3.41Å; L146-M148 HydrophobicContact CB-CG 4.39Å; L146-M148 HydrophobicContact CB-SD 3.79Å; L146-M148 HydrophobicContact CD1-SD 4.28Å; L146-M148 PolarHBondContact O-N 2.83Å; L146-I462 HydrophobicContact CD1-CG1 4.03Å; L146-I462 HydrophobicContact CD1-CG2 4.25Å; L146-I466 HydrophobicContact CD2-CB 4.35Å; L146-I466 HydrophobicContact CD2-CG1 4.25Å; L146-I466 HydrophobicContact CD2-CG2 3.87Å; L146-Y467 HydrophobicContact CD2-CE2 4.13Å
147	S	98.9	Very high	98.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	99.6	171.9	-69.9	0	0	0	0	108.4	F93 A95 P103 V104 V105	F93-S147 CarbonylContact O-C 3.46Å; F93-S147 WeakPolarHBondContact O-CA 3.37Å; A95-S147 PolarHBondContact N-OG 3.31Å; P103-S147 PolarHBondContact O-N 2.82Å; V104-S147 CarbonylContact C-O 3.44Å; V104-S147 WeakPolarHBondContact CA-O 3.49Å; V105-S147 PolarHBondContact N-O 3.07Å
148	M	98.9	Very high	98.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	125.7	-169.1	-62.9	-62.2	-55.4	0	0	111.9	F92 F93 V105 W107 W142 T143 L146 Y150	F92-M148 WeakPolarHBondContact CA-O 2.99Å; F92-M148 VanDerWaalsContact CD2-O 3.25Å; F92-M148 WeakPolarHBondContact CD2-O 3.27Å; F93-M148 PolarHBondContact N-O 3.41Å; F93-M148 PolarHBondContact O-N 2.92Å; V105-M148 HydrophobicContact CB-CE 4.29Å; V105-M148 HydrophobicContact CB-SD 3.78Å; V105-M148 HydrophobicContact CG1-CE 4.04Å; V105-M148 HydrophobicContact CG1-SD 4.05Å; W107-M148 HydrophobicContact CB-CE 4.1Å; W142-M148 HydrophobicContact CB-CG 4.27Å; W142-M148 HydrophobicContact CB-SD 3.87Å; W142-M148 HydrophobicContact CE3-CE 3.8Å; W142-M148 HydrophobicContact CE3-SD 4.08Å; W142-M148 HydrophobicContact CZ3-CE 4.48Å; T143-M148 HydrophobicContact CG2-CB 3.86Å; T143-M148 HydrophobicContact CG2-CG 3.57Å; L146-M148 HydrophobicContact CB-CG 4.39Å; L146-M148 HydrophobicContact CB-SD 3.79Å; L146-M148 HydrophobicContact CD1-SD 4.28Å; L146-M148 PolarHBondContact O-N 2.83Å; M148-Y150 HydrophobicContact CB-CD2 4.29Å; M148-Y150 HydrophobicContact CB-CE2 3.54Å; M148-Y150 HydrophobicContact CG-CE2 4.45Å
149	L	98.9	Very high	98.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.7	173.4	172.9	60.5	0	0	0	109.4	F90 F92 V105 L106 W107 I151 L183 F186	F90-L149 HydrophobicContact CB-CD1 3.96Å; F90-L149 HydrophobicContact CD2-CD1 3.72Å; F90-L149 HydrophobicContact CG-CD1 4.21Å; F92-L149 HydrophobicContact CB-CD1 4.17Å; F92-L149 HydrophobicContact CD2-CB 4.05Å; V105-L149 PolarHBondContact O-N 2.81Å; L106-L149 CarbonylContact C-O 3.56Å; L106-L149 WeakPolarHBondContact CA-O 3.2Å; L106-L149 HydrophobicContact CD1-CD2 4.26Å; L106-L149 HydrophobicContact CD1-CG 4.09Å; L106-L149 WeakPolarHBondContact CD1-O 3.19Å; W107-L149 PolarHBondContact N-O 2.83Å; L149-I151 HydrophobicContact CD1-CG1 4.14Å; L149-I151 HydrophobicContact CD2-CD1 4.12Å; L149-I151 HydrophobicContact CD2-CG1 4.47Å; L149-I151 HydrophobicContact CG-CD1 4.24Å; L149-I151 HydrophobicContact CG-CG1 4.04Å; L149-L183 HydrophobicContact CD2-CD2 3.88Å; L149-F186 HydrophobicContact CD1-CD2 3.89Å; L149-F186 HydrophobicContact CD1-CE2 3.8Å; L149-F186 HydrophobicContact CD1-CZ 4.45Å; L149-F186 HydrophobicContact CD2-CD1 3.96Å; L149-F186 HydrophobicContact CD2-CD2 4Å; L149-F186 HydrophobicContact CD2-CE1 4.07Å; L149-F186 HydrophobicContact CD2-CE2 4.12Å; L149-F186 HydrophobicContact CD2-CG 3.94Å; L149-F186 HydrophobicContact CD2-CZ 4.15Å; L149-F186 HydrophobicContact CG-CE2 4.45Å
150	Y	98.9	Very high	98.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.6	174.6	-60.2	-92.3	0	0	0	109	F90 W91 F93 W107 S116 L120 H124 G125 M148	F90-Y150 CarbonylContact C-O 3.6Å; F90-Y150 VanDerWaalsContact CA-O 3.23Å; F90-Y150 WeakPolarHBondContact CA-O 3.4Å; W91-Y150 PolarHBondContact N-O 3.01Å; W91-Y150 PolarHBondContact O-N 2.98Å; F93-Y150 HydrophobicContact CD2-CD2 4.29Å; F93-Y150 HydrophobicContact CD2-CE2 4.27Å; W107-Y150 HydrophobicContact CB-CD1 3.78Å; W107-Y150 HydrophobicContact CB-CE1 3.89Å; W107-Y150 AromaticContact CD1-CD1 3.61Å; W107-Y150 AromaticContact CD1-CE1 3.83Å; W107-Y150 AromaticContact CG-CD1 3.92Å; W107-Y150 HydrophobicContact CG-CD1 3.92Å; W107-Y150 AromaticContact CG-CE1 3.89Å; W107-Y150 HydrophobicContact CG-CE1 3.89Å; S116-Y150 WeakPolarHBondContact O-CD1 3.34Å; L120-Y150 HydrophobicContact CB-CD1 3.92Å; L120-Y150 HydrophobicContact CB-CD2 4.28Å; L120-Y150 HydrophobicContact CB-CE1 3.89Å; L120-Y150 HydrophobicContact CB-CE2 4.24Å; L120-Y150 HydrophobicContact CB-CG 4.12Å; L120-Y150 HydrophobicContact CD1-CD2 3.68Å; L120-Y150 HydrophobicContact CD1-CE2 3.97Å; L120-Y150 HydrophobicContact CD1-CG 4.08Å; L120-Y150 HydrophobicContact CG-CD2 4.33Å; L120-Y150 HydrophobicContact CG-CE2 4.21Å; H124-Y150 AromaticContact CE1-CE1 3.7Å; H124-Y150 AromaticContact CE1-CZ 3.95Å; H124-Y150 PolarHBondContact CE1-OH 3.29Å; H124-Y150 PolarHBondContact ND1-OH 2.91Å; G125-Y150 VanDerWaalsContact CA-OH 3.29Å; G125-Y150 WeakPolarHBondContact CA-OH 3.46Å; M148-Y150 HydrophobicContact CB-CD2 4.29Å; M148-Y150 HydrophobicContact CB-CE2 3.54Å; M148-Y150 HydrophobicContact CG-CE2 4.45Å
151	I	98.9	Very high	98.4	Very high	1 Å²	1	4 Å²	4	1%	0.005	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.8	176.2	-59.3	-177.8	0	0	0	109.1	L88 F90 L106 L108 S116 L149 N153 L179	L88-I151 HydrophobicContact CB-CG2 4.15Å; L88-I151 HydrophobicContact CD1-CG2 4.15Å; F90-I151 HydrophobicContact CB-CG1 3.99Å; L106-I151 HydrophobicContact CD1-CB 4.2Å; L106-I151 HydrophobicContact CD1-CD1 3.68Å; L106-I151 HydrophobicContact CD1-CG1 3.73Å; L108-I151 HydrophobicContact CD2-CB 4.36Å; S116-I151 WeakPolarHBondContact CB-O 3.37Å; S116-I151 PolarHBondContact OG-O 3.4Å; L149-I151 HydrophobicContact CD1-CG1 4.14Å; L149-I151 HydrophobicContact CD2-CD1 4.12Å; L149-I151 HydrophobicContact CD2-CG1 4.47Å; L149-I151 HydrophobicContact CG-CD1 4.24Å; L149-I151 HydrophobicContact CG-CG1 4.04Å; I151-N153 HydrophobicContact CG2-CB 4.38Å; I151-N153 PolarHBondContact O-N 3.18Å; I151-L179 HydrophobicContact CD1-CD2 4.31Å; I151-L179 HydrophobicContact CG2-CD2 4.15Å
152	D	98.8	Very high	98.4	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.026	C	C	.	.			trans	-70.5	101.6	168.5	-84.6	-14.5	0	0	0	108.7	F89 S115 S116 T157 G158 F159 S160	F89-D152 HydrophobicContact CB-CB 4.39Å; F89-D152 PolarHBondContact O-N 3.26Å; S115-D152 WeakPolarHBondContact CA-OD1 3.15Å; S115-D152 WeakPolarHBondContact CB-OD1 3.4Å; S115-D152 PolarHBondContact OG-OD1 2.99Å; S116-D152 PolarHBondContact N-OD1 3.19Å; D152-T157 HydrophobicContact CB-CG2 4.22Å; D152-T157 WeakPolarHBondContact CB-O 3.37Å; D152-G158 WeakPolarHBondContact OD2-CA 3.47Å; D152-F159 PolarHBondContact OD2-N 2.96Å; D152-S160 VanDerWaalsContact CB-OG 3.32Å; D152-S160 WeakPolarHBondContact CB-OG 3.15Å; D152-S160 WeakPolarHBondContact O-CB 3.45Å; D152-S160 PolarHBondContact O-OG 2.91Å
153	N	97.8	Very high	98.3	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.005	5%	0.054	C	C	.	.			trans	-125.3	147.8	-172.2	169.3	75.8	0	0	0	109.8	L108 I151 T157 V175 L179 Y209	L108-N153 HydrophobicContact CD2-CB 3.98Å; I151-N153 HydrophobicContact CG2-CB 4.38Å; I151-N153 PolarHBondContact O-N 3.18Å; N153-T157 WeakPolarHBondContact O-CB 3.34Å; N153-T157 WeakPolarHBondContact O-CG2 3.36Å; N153-T157 PolarHBondContact O-OG1 3.4Å; N153-V175 WeakPolarHBondContact OD1-CG1 3.22Å; N153-L179 HydrophobicContact CB-CD2 4.08Å; N153-L179 WeakPolarHBondContact OD1-CD1 3.46Å; N153-L179 VanDerWaalsContact OD1-CG 3.29Å; N153-L179 WeakPolarHBondContact OD1-CG 3.35Å; N153-Y209 WeakPolarHBondContact ND2-CD2 3.28Å
154	P	98.4	Very high	98.2	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.019	7%	0.069	C	C	.	.	S	Bend	cis	-69.4	-172.2	-16.6	-24.5	36.3	0	0	0	115	G156 T157 A169 V175 Y209 V355 L359	P154-G156 PolarHBondContact O-N 3.42Å; P154-T157 WeakPolarHBondContact O-CB 3.32Å; P154-T157 PolarHBondContact O-N 3.02Å; P154-T157 PolarHBondContact O-OG1 3.4Å; P154-T157 VanDerWaalsContact O-OG1 3.13Å; P154-A169 HydrophobicContact CB-CB 4.22Å; P154-V175 HydrophobicContact CB-CG2 4.15Å; P154-V175 HydrophobicContact CG-CG1 4.19Å; P154-V175 HydrophobicContact CG-CG2 3.58Å; P154-Y209 WeakPolarHBondContact CD-OH 3.12Å; P154-Y209 HydrophobicContact CG-CE1 4.13Å; P154-V355 HydrophobicContact CB-CG1 4.39Å; P154-V355 HydrophobicContact CG-CG1 4.14Å; P154-L359 HydrophobicContact CG-CD1 3.99Å
155	V	98.3	Very high	98.2	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.012	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	125.1	170.4	175.4	0	0	0	0	109.6	V80 L88 F161 T162 Y168 V355	V80-V155 HydrophobicContact CG2-CG2 3.86Å; L88-V155 HydrophobicContact CD2-CB 4.38Å; L88-V155 HydrophobicContact CD2-CG2 3.63Å; L88-V155 HydrophobicContact CG-CG2 4.31Å; V155-F161 WeakPolarHBondContact CG1-O 3.34Å; V155-T162 HydrophobicContact CG1-CG2 3.82Å; V155-Y168 WeakPolarHBondContact O-CD1 3.36Å; V155-V355 WeakPolarHBondContact O-CG2 3.41Å
156	G	96.9	Very high	98.1	Very high	3 Å²	3	20.3 Å²	20.3	3%	0.031	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.5	-8.7	-173.8	0	0	0	0	0	115	P154 S160 N350 V355	P154-G156 PolarHBondContact O-N 3.42Å; G156-S160 CarbonylContact C-O 3.52Å; G156-S160 VanDerWaalsContact CA-O 3.24Å; G156-S160 WeakPolarHBondContact CA-O 3.33Å; G156-S160 PolarHBondContact N-O 3.13Å; G156-N350 WeakPolarHBondContact O-CB 3.13Å; G156-V355 VanDerWaalsContact C-CG2 3.43Å
157	T	97.9	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	137.8	174.7	-65	0	0	0	0	111.3	G113 G114 D152 N153 P154 F159 S160	G113-T157 VanDerWaalsContact CA-OG1 3.31Å; G113-T157 WeakPolarHBondContact CA-OG1 3.48Å; G113-T157 VanDerWaalsContact O-CG2 3.3Å; G113-T157 WeakPolarHBondContact O-CG2 3.42Å; G114-T157 VanDerWaalsContact C-CG2 3.49Å; G114-T157 VanDerWaalsContact O-CG2 3.31Å; G114-T157 WeakPolarHBondContact O-CG2 3.45Å; D152-T157 HydrophobicContact CB-CG2 4.22Å; D152-T157 WeakPolarHBondContact CB-O 3.37Å; N153-T157 WeakPolarHBondContact O-CB 3.34Å; N153-T157 WeakPolarHBondContact O-CG2 3.36Å; N153-T157 PolarHBondContact O-OG1 3.4Å; P154-T157 WeakPolarHBondContact O-CB 3.32Å; P154-T157 PolarHBondContact O-N 3.02Å; P154-T157 PolarHBondContact O-OG1 3.4Å; P154-T157 VanDerWaalsContact O-OG1 3.13Å; T157-F159 PolarHBondContact O-N 3.34Å; T157-S160 WeakPolarHBondContact O-CA 3.25Å; T157-S160 WeakPolarHBondContact O-CB 3.43Å; T157-S160 PolarHBondContact O-N 3.46Å
158	G	97.6	Very high	98	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.5	-124.3	172.8	0	0	0	0	0	111.8	D152 N350	D152-G158 WeakPolarHBondContact OD2-CA 3.47Å; G158-N350 WeakPolarHBondContact CA-O 3.2Å; G158-N350 PolarHBondContact N-O 2.96Å; G158-N350 VanDerWaalsContact N-O 3.15Å; G158-N350 PolarHBondContact O-N 2.72Å; G158-N350 PolarHBondContact O-ND2 2.64Å
159	F	98.3	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-16.4	175.5	-71	-57.6	0	0	0	114.7	F77 F89 D152 T157 L333 I342 V344 F349	F77-F159 HydrophobicContact CE1-CB 4.21Å; F77-F159 VanDerWaalsContact CE1-O 3.31Å; F77-F159 WeakPolarHBondContact CE1-O 3.45Å; F77-F159 HydrophobicContact CZ-CB 4.2Å; F89-F159 HydrophobicContact CB-CB 3.72Å; F89-F159 HydrophobicContact CD1-CB 4.02Å; F89-F159 AromaticContact CD1-CD2 3.94Å; F89-F159 HydrophobicContact CD1-CD2 3.94Å; F89-F159 HydrophobicContact CD1-CG 4.47Å; F89-F159 HydrophobicContact CD2-CB 4.29Å; F89-F159 AromaticContact CE1-CD2 3.93Å; F89-F159 HydrophobicContact CE1-CD2 3.93Å; F89-F159 HydrophobicContact CG-CB 3.74Å; F89-F159 HydrophobicContact CG-CD2 4.35Å; F89-F159 HydrophobicContact CG-CG 4.5Å; F89-F159 HydrophobicContact CZ-CD2 4.33Å; D152-F159 PolarHBondContact OD2-N 2.96Å; T157-F159 PolarHBondContact O-N 3.34Å; F159-L333 HydrophobicContact CE2-CB 4.5Å; F159-L333 HydrophobicContact CE2-CD1 4.19Å; F159-L333 HydrophobicContact CE2-CD2 4.13Å; F159-L333 HydrophobicContact CZ-CB 4.21Å; F159-I342 HydrophobicContact CD2-CD1 4.41Å; F159-I342 HydrophobicContact CE2-CD1 3.71Å; F159-I342 HydrophobicContact CZ-CD1 4.32Å; F159-V344 HydrophobicContact CB-CG1 4.16Å; F159-V344 HydrophobicContact CD1-CB 4Å; F159-V344 HydrophobicContact CD1-CG1 4.08Å; F159-V344 HydrophobicContact CD1-CG2 4.24Å; F159-V344 HydrophobicContact CD2-CB 4.4Å; F159-V344 HydrophobicContact CD2-CG1 3.68Å; F159-V344 HydrophobicContact CE1-CB 4.13Å; F159-V344 HydrophobicContact CE1-CG1 4.42Å; F159-V344 HydrophobicContact CE1-CG2 3.84Å; F159-V344 HydrophobicContact CE2-CB 4.5Å; F159-V344 HydrophobicContact CE2-CG1 4.03Å; F159-V344 HydrophobicContact CE2-CG2 4.2Å; F159-V344 HydrophobicContact CG-CB 4.15Å; F159-V344 HydrophobicContact CG-CG1 3.7Å; F159-V344 HydrophobicContact CZ-CB 4.37Å; F159-V344 HydrophobicContact CZ-CG1 4.39Å; F159-V344 HydrophobicContact CZ-CG2 3.81Å; F159-F349 HydrophobicContact CD1-CB 4.2Å; F159-F349 AromaticContact CD1-CD2 3.85Å; F159-F349 HydrophobicContact CD1-CD2 3.85Å; F159-F349 AromaticContact CD2-CD2 3.72Å; F159-F349 HydrophobicContact CD2-CD2 3.72Å; F159-F349 HydrophobicContact CD2-CE2 4.04Å; F159-F349 HydrophobicContact CE1-CB 3.74Å; F159-F349 AromaticContact CE1-CD2 3.66Å; F159-F349 HydrophobicContact CE1-CD2 3.66Å; F159-F349 HydrophobicContact CE1-CG 4.18Å; F159-F349 AromaticContact CE2-CD2 3.55Å; F159-F349 HydrophobicContact CE2-CD2 3.55Å; F159-F349 AromaticContact CE2-CE2 3.96Å; F159-F349 HydrophobicContact CE2-CE2 3.96Å; F159-F349 AromaticContact CG-CD2 3.88Å; F159-F349 HydrophobicContact CG-CD2 3.88Å; F159-F349 HydrophobicContact CZ-CB 4.2Å; F159-F349 AromaticContact CZ-CD2 3.52Å; F159-F349 HydrophobicContact CZ-CD2 3.52Å; F159-F349 HydrophobicContact CZ-CE2 4.34Å; F159-F349 HydrophobicContact CZ-CG 4.25Å
160	S	98.6	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.			trans	-64.8	140.8	177.5	-60.6	0	0	0	0	111.2	N87 L88 F89 D152 G156 T157 N350	N87-S160 VanDerWaalsContact O-CA 3.31Å; N87-S160 WeakPolarHBondContact O-CA 3.47Å; N87-S160 WeakPolarHBondContact O-CB 3.48Å; L88-S160 WeakPolarHBondContact CA-OG 3.43Å; F89-S160 PolarHBondContact N-OG 3.13Å; D152-S160 VanDerWaalsContact CB-OG 3.32Å; D152-S160 WeakPolarHBondContact CB-OG 3.15Å; D152-S160 WeakPolarHBondContact O-CB 3.45Å; D152-S160 PolarHBondContact O-OG 2.91Å; G156-S160 CarbonylContact C-O 3.52Å; G156-S160 VanDerWaalsContact CA-O 3.24Å; G156-S160 WeakPolarHBondContact CA-O 3.33Å; G156-S160 PolarHBondContact N-O 3.13Å; T157-S160 WeakPolarHBondContact O-CA 3.25Å; T157-S160 WeakPolarHBondContact O-CB 3.43Å; T157-S160 PolarHBondContact O-N 3.46Å; S160-N350 PolarHBondContact O-ND2 3.08Å
161	F	98.1	Very high	97.9	Very high	18 Å²	18	28.3 Å²	28.3	8%	0.079	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-152.5	162.5	-171.8	73.3	-86.4	0	0	0	112.9	F44 F77 S86 N87 V155 R347	F44-F161 HydrophobicContact CE1-CE1 4.04Å; F44-F161 AromaticContact CE1-CZ 3.79Å; F44-F161 HydrophobicContact CE1-CZ 3.79Å; F44-F161 HydrophobicContact CZ-CE1 4.27Å; F44-F161 AromaticContact CZ-CZ 3.89Å; F44-F161 HydrophobicContact CZ-CZ 3.89Å; F77-F161 HydrophobicContact CD1-CE1 4.13Å; F77-F161 HydrophobicContact CE1-CD1 4.09Å; F77-F161 AromaticContact CE1-CE1 3.98Å; F77-F161 HydrophobicContact CE1-CE1 3.98Å; F77-F161 HydrophobicContact CZ-CE1 4.42Å; S86-F161 CarbonylContact C-O 3.51Å; S86-F161 WeakPolarHBondContact CA-O 3.34Å; N87-F161 HydrophobicContact CB-CD1 4.31Å; N87-F161 HydrophobicContact CB-CE1 3.88Å; N87-F161 HydrophobicContact CB-CZ 4.09Å; N87-F161 PolarHBondContact N-O 3.19Å; N87-F161 WeakPolarHBondContact ND2-CZ 3.28Å; N87-F161 PolarHBondContact O-N 2.78Å; V155-F161 WeakPolarHBondContact CG1-O 3.34Å; F161-R347 HydrophobicContact CE1-CG 4.35Å; F161-R347 VanDerWaalsContact CE2-NH1 3.32Å
162	T	98.1	Very high	97.9	Very high	15 Å²	15	28.3 Å²	28.3	9%	0.092	15%	0.152	C	C	.	.			trans	-135.4	151.4	168.4	174.8	0	0	0	0	108.3	Y84 V155 D164 Y168	Y84-T162 PolarHBondContact O-OG1 3.45Å; V155-T162 HydrophobicContact CG1-CG2 3.82Å; T162-D164 WeakPolarHBondContact CG2-O 3.41Å; T162-D164 PolarHBondContact OG1-N 2.89Å; T162-D164 VanDerWaalsContact OG1-N 3.13Å; T162-D164 PolarHBondContact OG1-O 3.41Å; T162-Y168 HydrophobicContact CG2-CD1 4.34Å; T162-Y168 HydrophobicContact CG2-CD2 3.96Å; T162-Y168 HydrophobicContact CG2-CE1 4.1Å; T162-Y168 HydrophobicContact CG2-CE2 3.64Å; T162-Y168 HydrophobicContact CG2-CG 4.27Å
163	D	96.1	Very high	97.9	Very high	112 Å²	112	33 Å²	33	60%	0.599	18%	0.177	S	C	*	.	S	Bend	trans	-94.2	-4.8	173.5	-66.3	-23	0	0	0	111.9	Y84 N85	Y84-D163 PolarHBondContact O-N 3.01Å; Y84-D163 VanDerWaalsContact O-N 3.09Å; N85-D163 HydrophobicContact CB-CB 4.3Å; N85-D163 PolarHBondContact ND2-OD2 3.06Å
164	D	97.6	Very high	97.9	Very high	60 Å²	60	34.3 Å²	34.3	32%	0.321	18%	0.184	S	C	.	.	S	Bend	trans	-128.2	139.6	178.5	-165.3	-55.4	0	0	0	111.4	Y84 T162 H166 G167	Y84-D164 HydrophobicContact CD1-CB 3.66Å; Y84-D164 HydrophobicContact CG-CB 4.11Å; T162-D164 WeakPolarHBondContact CG2-O 3.41Å; T162-D164 PolarHBondContact OG1-N 2.89Å; T162-D164 VanDerWaalsContact OG1-N 3.13Å; T162-D164 PolarHBondContact OG1-O 3.41Å; D164-H166 PolarHBondContact O-N 2.86Å; D164-H166 WeakPolarHBondContact OD1-CB 3.45Å; D164-H166 IonicContact OD1-CE1 3.55Å; D164-H166 IonicContact OD1-CG 3.38Å; D164-H166 PolarHBondContact OD1-N 2.96Å; D164-H166 IonicContact OD1-ND1 2.84Å; D164-H166 PolarHBondContact OD1-ND1 3.27Å; D164-H166 IonicContact OD2-ND1 3.7Å; D164-G167 PolarHBondContact O-N 3.19Å
165	T	97	Very high	97.9	Very high	79 Å²	79	34.2 Å²	34.2	49%	0.485	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-61	-24.6	177.3	47.7	0	0	0	0	114.3	G167 Y168 Y358	T165-G167 PolarHBondContact O-N 3.36Å; T165-Y168 WeakPolarHBondContact O-CD2 3.32Å; T165-Y358 WeakPolarHBondContact CB-OH 3.18Å
166	H	97.4	Very high	98	Very high	132 Å²	132	34.3 Å²	34.3	61%	0.611	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-76.5	-6.3	174.3	-56.5	94.9	0	0	0	112.6	Y84 D164	Y84-H166 HydrophobicContact CD1-CB 4.17Å; Y84-H166 HydrophobicContact CD2-CB 4.35Å; Y84-H166 HydrophobicContact CE1-CB 3.67Å; Y84-H166 HydrophobicContact CE2-CB 3.88Å; Y84-H166 WeakPolarHBondContact CE2-O 3.21Å; Y84-H166 HydrophobicContact CG-CB 4.49Å; D164-H166 PolarHBondContact O-N 2.86Å; D164-H166 WeakPolarHBondContact OD1-CB 3.45Å; D164-H166 IonicContact OD1-CE1 3.55Å; D164-H166 IonicContact OD1-CG 3.38Å; D164-H166 PolarHBondContact OD1-N 2.96Å; D164-H166 IonicContact OD1-ND1 2.84Å; D164-H166 PolarHBondContact OD1-ND1 3.27Å; D164-H166 IonicContact OD2-ND1 3.7Å
167	G	97.6	Very high	98.1	Very high	4 Å²	4	39.7 Å²	39.7	4%	0.041	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-84.6	-6.8	174.3	0	0	0	0	0	114.6	D164 T165	D164-G167 PolarHBondContact O-N 3.19Å; T165-G167 PolarHBondContact O-N 3.36Å
168	Y	98.3	Very high	98.1	Very high	42 Å²	42	40 Å²	40	17%	0.165	21%	0.205	C	C	.	.	S	Bend	trans	-80.6	137.1	172.7	-66.8	-79.5	0	0	0	110.4	V155 T162 T165 V354 V355 Y358	V155-Y168 WeakPolarHBondContact O-CD1 3.36Å; T162-Y168 HydrophobicContact CG2-CD1 4.34Å; T162-Y168 HydrophobicContact CG2-CD2 3.96Å; T162-Y168 HydrophobicContact CG2-CE1 4.1Å; T162-Y168 HydrophobicContact CG2-CE2 3.64Å; T162-Y168 HydrophobicContact CG2-CG 4.27Å; T165-Y168 WeakPolarHBondContact O-CD2 3.32Å; Y168-V354 HydrophobicContact CD1-CG1 4.15Å; Y168-V354 HydrophobicContact CD2-CG1 4.37Å; Y168-V354 HydrophobicContact CE1-CB 4.18Å; Y168-V354 HydrophobicContact CE1-CG1 3.61Å; Y168-V354 HydrophobicContact CE2-CG1 3.91Å; Y168-V355 HydrophobicContact CD1-CG2 4.28Å; Y168-V355 HydrophobicContact CE1-CG2 4.45Å; Y168-Y358 HydrophobicContact CD1-CD2 4.46Å; Y168-Y358 HydrophobicContact CD2-CD2 4.09Å; Y168-Y358 AromaticContact CD2-CE2 3.71Å; Y168-Y358 HydrophobicContact CD2-CE2 3.71Å; Y168-Y358 AromaticContact CD2-CZ 3.99Å; Y168-Y358 HydrophobicContact CE2-CE2 4.31Å; Y168-Y358 AromaticContact CG-CD2 3.88Å; Y168-Y358 HydrophobicContact CG-CD2 3.88Å; Y168-Y358 AromaticContact CG-CE2 4Å; Y168-Y358 HydrophobicContact CG-CE2 4Å; Y168-Y358 HydrophobicContact CG-CG 4.32Å
169	A	98.3	Very high	98.2	Very high	5 Å²	5	40 Å²	40	4%	0.041	21%	0.205	C	C	.	.			trans	-68.1	138.6	173.8	0	0	0	0	0	110.9	P154 D174 V175 Y358	P154-A169 HydrophobicContact CB-CB 4.22Å; A169-D174 HydrophobicContact CB-CB 3.64Å; A169-V175 HydrophobicContact CB-CG2 3.64Å; A169-Y358 WeakPolarHBondContact O-CB 3.43Å
170	V	97.8	Very high	98.2	Very high	70 Å²	70	41.3 Å²	41.3	42%	0.424	21%	0.21	S	C	.	.			trans	-113.7	-5	175.6	-65.6	0	0	0	0	113.4	D174 Y358	V170-D174 VanDerWaalsContact CG2-OD2 3.32Å; V170-D174 WeakPolarHBondContact CG2-OD2 3Å; V170-D174 PolarHBondContact N-OD2 3.28Å; V170-Y358 HydrophobicContact CG1-CD1 3.82Å
171	N	98.3	Very high	98.2	Very high	47 Å²	47	43 Å²	43	25%	0.251	22%	0.222	S	C	.	.	S	Bend	trans	-158.6	174.7	175.2	57.9	52.4	0	0	0	110.6	D173 D174 V175 D362	N171-D173 VanDerWaalsContact C-N 3.32Å; N171-D173 PolarHBondContact O-N 3.38Å; N171-D173 WeakPolarHBondContact OD1-CB 3.25Å; N171-D173 PolarHBondContact OD1-N 3.06Å; N171-D174 WeakPolarHBondContact O-CB 3.42Å; N171-D174 PolarHBondContact O-N 2.87Å; N171-D174 PolarHBondContact OD1-N 3.18Å; N171-V175 PolarHBondContact O-N 2.91Å; N171-D362 WeakPolarHBondContact CA-OD1 3.33Å
172	E	98.6	Very high	98.2	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-68.7	-21.7	-179.4	-65.9	-59.9	125.5	0	0	115.4	V175 A176 K208 Y209 A212 D362 V367 W370	E172-V175 PolarHBondContact O-N 3.14Å; E172-A176 VanDerWaalsContact O-CB 3.27Å; E172-A176 WeakPolarHBondContact O-CB 3.34Å; E172-A176 PolarHBondContact O-N 3.22Å; E172-K208 VanDerWaalsContact CD-CB 3.48Å; E172-K208 HydrophobicContact CG-CB 3.94Å; E172-Y209 WeakPolarHBondContact OE1-CD1 3.11Å; E172-Y209 VanDerWaalsContact OE1-CE1 3.26Å; E172-Y209 WeakPolarHBondContact OE1-CE1 3.29Å; E172-Y209 VanDerWaalsContact OE2-CA 3.27Å; E172-Y209 WeakPolarHBondContact OE2-CA 3.44Å; E172-Y209 VanDerWaalsContact OE2-CD1 3.24Å; E172-Y209 WeakPolarHBondContact OE2-CD1 3.23Å; E172-Y209 PolarHBondContact OE2-N 2.85Å; E172-Y209 VanDerWaalsContact OE2-N 3.12Å; E172-A212 HydrophobicContact CB-CB 3.89Å; E172-D362 PolarHBondContact N-OD1 3.48Å; E172-V367 HydrophobicContact CG-CG1 4.01Å; E172-W370 HydrophobicContact CB-CH2 3.98Å; E172-W370 HydrophobicContact CB-CZ3 3.53Å; E172-W370 HydrophobicContact CG-CZ3 4.45Å
173	D	98.7	Very high	98.3	Very high	99 Å²	99	41.5 Å²	41.5	53%	0.529	22%	0.215	S	C	.	.	H	α-helix	trans	-67.6	-40.8	172.8	-71.5	-61.2	0	0	0	111.1	N171 R177	N171-D173 VanDerWaalsContact C-N 3.32Å; N171-D173 PolarHBondContact O-N 3.38Å; N171-D173 WeakPolarHBondContact OD1-CB 3.25Å; N171-D173 PolarHBondContact OD1-N 3.06Å; D173-R177 WeakPolarHBondContact O-CB 3.35Å; D173-R177 PolarHBondContact O-N 3.01Å
174	D	98.7	Very high	98.4	Very high	28 Å²	28	37.8 Å²	37.8	15%	0.15	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-46.1	173.8	-72.3	-37	0	0	0	111.4	A169 V170 N171 R177 D178	A169-D174 HydrophobicContact CB-CB 3.64Å; V170-D174 VanDerWaalsContact CG2-OD2 3.32Å; V170-D174 WeakPolarHBondContact CG2-OD2 3Å; V170-D174 PolarHBondContact N-OD2 3.28Å; N171-D174 WeakPolarHBondContact O-CB 3.42Å; N171-D174 PolarHBondContact O-N 2.87Å; N171-D174 PolarHBondContact OD1-N 3.18Å; D174-R177 PolarHBondContact O-N 2.9Å; D174-R177 IonicContact OD1-CZ 2.78Å; D174-R177 IonicContact OD1-NH1 2.6Å; D174-R177 PolarHBondContact OD1-NH1 3.23Å; D174-R177 IonicContact OD1-NH2 2.69Å; D174-R177 PolarHBondContact OD1-NH2 3.21Å; D174-D178 PolarHBondContact O-N 2.91Å; D174-D178 VanDerWaalsContact O-N 3.13Å
175	V	98.8	Very high	98.4	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-50.2	177.8	177.1	0	0	0	0	110.7	N153 P154 A169 N171 E172 R177 D178 L179 Y209	N153-V175 WeakPolarHBondContact OD1-CG1 3.22Å; P154-V175 HydrophobicContact CB-CG2 4.15Å; P154-V175 HydrophobicContact CG-CG1 4.19Å; P154-V175 HydrophobicContact CG-CG2 3.58Å; A169-V175 HydrophobicContact CB-CG2 3.64Å; N171-V175 PolarHBondContact O-N 2.91Å; E172-V175 PolarHBondContact O-N 3.14Å; V175-R177 PolarHBondContact O-N 3.25Å; V175-D178 PolarHBondContact O-N 3.47Å; V175-L179 HydrophobicContact CG1-CD1 3.84Å; V175-L179 HydrophobicContact CG1-CG 4.43Å; V175-L179 WeakPolarHBondContact O-CB 3.48Å; V175-L179 WeakPolarHBondContact O-CG 3.38Å; V175-L179 PolarHBondContact O-N 3.44Å; V175-Y209 HydrophobicContact CB-CD1 4.43Å; V175-Y209 HydrophobicContact CG1-CD1 3.69Å; V175-Y209 HydrophobicContact CG1-CE1 4.15Å; V175-Y209 HydrophobicContact CG1-CG 4.29Å; V175-Y209 HydrophobicContact CG2-CD1 4.38Å; V175-Y209 HydrophobicContact CG2-CE1 4.16Å
176	A	98.9	Very high	98.5	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.033	16%	0.159	C	C	.	.	H	α-helix	trans	-61.7	-42.6	-179.9	0	0	0	0	0	111.9	E172 D178 Y180 A212 I213 L216	E172-A176 VanDerWaalsContact O-CB 3.27Å; E172-A176 WeakPolarHBondContact O-CB 3.34Å; E172-A176 PolarHBondContact O-N 3.22Å; A176-D178 PolarHBondContact O-N 2.88Å; A176-Y180 VanDerWaalsContact O-CB 3.23Å; A176-Y180 WeakPolarHBondContact O-CB 3.44Å; A176-Y180 PolarHBondContact O-N 2.94Å; A176-A212 HydrophobicContact CB-CB 4.04Å; A176-I213 WeakPolarHBondContact O-CD1 3.18Å; A176-L216 VanDerWaalsContact C-CD2 3.48Å; A176-L216 HydrophobicContact CB-CB 4.18Å; A176-L216 HydrophobicContact CB-CD2 3.88Å; A176-L216 WeakPolarHBondContact O-CD2 3.37Å
177	R	98.8	Very high	98.6	Very high	115 Å²	115	26.4 Å²	26.4	43%	0.434	13%	0.134	S	C	.	.	H	α-helix	trans	-57.9	-49	177.6	176.3	-168.6	61.9	-126	-3.7	111.7	D173 D174 V175 Y180 S181	D173-R177 WeakPolarHBondContact O-CB 3.35Å; D173-R177 PolarHBondContact O-N 3.01Å; D174-R177 PolarHBondContact O-N 2.9Å; D174-R177 IonicContact OD1-CZ 2.78Å; D174-R177 IonicContact OD1-NH1 2.6Å; D174-R177 PolarHBondContact OD1-NH1 3.23Å; D174-R177 IonicContact OD1-NH2 2.69Å; D174-R177 PolarHBondContact OD1-NH2 3.21Å; V175-R177 PolarHBondContact O-N 3.25Å; R177-Y180 PolarHBondContact O-N 3.42Å; R177-S181 PolarHBondContact O-N 3.37Å
178	D	98.8	Very high	98.6	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.043	15%	0.148	C	C	.	.	H	α-helix	trans	-71.3	-41.3	-174.9	-71.6	5.6	0	0	0	110.8	V80 D174 V175 A176 Y180 S181 A182	V80-D178 HydrophobicContact CB-CB 4.1Å; V80-D178 VanDerWaalsContact CG1-O 3.25Å; V80-D178 WeakPolarHBondContact CG1-O 3.41Å; V80-D178 HydrophobicContact CG2-CB 3.92Å; D174-D178 PolarHBondContact O-N 2.91Å; D174-D178 VanDerWaalsContact O-N 3.13Å; V175-D178 PolarHBondContact O-N 3.47Å; A176-D178 PolarHBondContact O-N 2.88Å; D178-Y180 PolarHBondContact O-N 3.17Å; D178-S181 WeakPolarHBondContact O-CB 3.48Å; D178-S181 PolarHBondContact O-N 2.93Å; D178-A182 PolarHBondContact O-N 3.04Å
179	L	98.9	Very high	98.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-42.9	171.3	-80.2	174.4	0	0	0	112.4	L88 L108 I151 N153 V175 S181 A182 L183 I213	L88-L179 HydrophobicContact CD1-CD2 4.26Å; L108-L179 HydrophobicContact CD1-CD1 3.81Å; L108-L179 HydrophobicContact CD2-CD1 4.41Å; L108-L179 HydrophobicContact CD2-CD2 4.02Å; I151-L179 HydrophobicContact CD1-CD2 4.31Å; I151-L179 HydrophobicContact CG2-CD2 4.15Å; N153-L179 HydrophobicContact CB-CD2 4.08Å; N153-L179 WeakPolarHBondContact OD1-CD1 3.46Å; N153-L179 VanDerWaalsContact OD1-CG 3.29Å; N153-L179 WeakPolarHBondContact OD1-CG 3.35Å; V175-L179 HydrophobicContact CG1-CD1 3.84Å; V175-L179 HydrophobicContact CG1-CG 4.43Å; V175-L179 WeakPolarHBondContact O-CB 3.48Å; V175-L179 WeakPolarHBondContact O-CG 3.38Å; V175-L179 PolarHBondContact O-N 3.44Å; L179-S181 VanDerWaalsContact C-N 3.34Å; L179-S181 PolarHBondContact O-N 3.43Å; L179-A182 PolarHBondContact O-N 3.29Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 2.96Å; L179-I213 HydrophobicContact CB-CD1 3.82Å; L179-I213 HydrophobicContact CB-CG1 4.07Å; L179-I213 HydrophobicContact CD1-CB 4.21Å; L179-I213 HydrophobicContact CD1-CG2 4.5Å
180	Y	98.9	Very high	98.6	Very high	27 Å²	27	27.5 Å²	27.5	11%	0.106	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-43.7	177.8	-176.9	-88.3	0	0	0	111.1	A176 R177 D178 A182 L183 I184 I213 L216 I217 L220 I228	A176-Y180 VanDerWaalsContact O-CB 3.23Å; A176-Y180 WeakPolarHBondContact O-CB 3.44Å; A176-Y180 PolarHBondContact O-N 2.94Å; R177-Y180 PolarHBondContact O-N 3.42Å; D178-Y180 PolarHBondContact O-N 3.17Å; Y180-A182 VanDerWaalsContact C-N 3.33Å; Y180-A182 PolarHBondContact O-N 3.46Å; Y180-L183 PolarHBondContact O-N 2.84Å; Y180-I184 HydrophobicContact CD1-CG1 4.01Å; Y180-I184 HydrophobicContact CE1-CD1 4.07Å; Y180-I184 HydrophobicContact CE1-CG1 3.57Å; Y180-I184 HydrophobicContact CE2-CD1 4.5Å; Y180-I184 WeakPolarHBondContact O-CG1 3.49Å; Y180-I184 PolarHBondContact O-N 3.03Å; Y180-I213 HydrophobicContact CD2-CD1 4.47Å; Y180-L216 HydrophobicContact CD2-CD2 4.45Å; Y180-L216 HydrophobicContact CD2-CG 4.35Å; Y180-L216 HydrophobicContact CG-CD2 4.16Å; Y180-L216 HydrophobicContact CG-CG 4.49Å; Y180-I217 HydrophobicContact CD2-CG1 3.89Å; Y180-I217 HydrophobicContact CE2-CG1 4.15Å; Y180-L220 HydrophobicContact CD1-CD1 4.12Å; Y180-L220 HydrophobicContact CD2-CD1 4.18Å; Y180-L220 HydrophobicContact CE1-CD1 3.73Å; Y180-L220 HydrophobicContact CE2-CB 4.23Å; Y180-L220 HydrophobicContact CE2-CD1 3.77Å; Y180-L220 HydrophobicContact CG-CD1 4.34Å; Y180-I228 HydrophobicContact CD2-CD1 4.45Å; Y180-I228 HydrophobicContact CE2-CD1 4.24Å
181	S	98.7	Very high	98.6	Very high	36 Å²	36	27.6 Å²	27.6	25%	0.252	14%	0.14	S	C	.	.	H	α-helix	trans	-57.7	-44.9	174	-177.2	0	0	0	0	111.8	R177 D178 L179 Q185	R177-S181 PolarHBondContact O-N 3.37Å; D178-S181 WeakPolarHBondContact O-CB 3.48Å; D178-S181 PolarHBondContact O-N 2.93Å; L179-S181 VanDerWaalsContact C-N 3.34Å; L179-S181 PolarHBondContact O-N 3.43Å; S181-Q185 WeakPolarHBondContact O-CG 3.42Å; S181-Q185 PolarHBondContact O-N 2.77Å; S181-Q185 PolarHBondContact O-NE2 2.84Å; S181-Q185 PolarHBondContact OG-NE2 2.94Å
182	A	98.9	Very high	98.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-65	-41.7	176.1	0	0	0	0	0	112.6	L78 V80 L88 D178 L179 Y180 Q185 F186	L78-A182 HydrophobicContact CB-CB 4.36Å; L78-A182 HydrophobicContact CD1-CB 3.95Å; L78-A182 VanDerWaalsContact CD1-O 3.32Å; L78-A182 WeakPolarHBondContact CD1-O 3.17Å; V80-A182 HydrophobicContact CG1-CB 3.96Å; L88-A182 HydrophobicContact CD1-CB 3.95Å; D178-A182 PolarHBondContact O-N 3.04Å; L179-A182 PolarHBondContact O-N 3.29Å; Y180-A182 VanDerWaalsContact C-N 3.33Å; Y180-A182 PolarHBondContact O-N 3.46Å; A182-Q185 PolarHBondContact O-N 3.34Å; A182-F186 WeakPolarHBondContact O-CB 3.4Å; A182-F186 PolarHBondContact O-N 2.92Å
183	L	98.9	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-42.3	179.1	-74.4	174.2	0	0	0	112.5	L106 L149 L179 Y180 Q185 F186 F187 F198 I213 I217 I228	L106-L183 HydrophobicContact CD2-CD1 4.21Å; L106-L183 HydrophobicContact CD2-CD2 4.22Å; L149-L183 HydrophobicContact CD2-CD2 3.88Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 2.96Å; Y180-L183 PolarHBondContact O-N 2.84Å; L183-Q185 VanDerWaalsContact C-N 3.32Å; L183-Q185 PolarHBondContact O-N 3.48Å; L183-F186 WeakPolarHBondContact O-CB 3.48Å; L183-F186 PolarHBondContact O-N 2.92Å; L183-F187 WeakPolarHBondContact O-CD2 3.32Å; L183-F187 PolarHBondContact O-N 2.81Å; L183-F198 HydrophobicContact CD1-CE1 4.11Å; L183-F198 HydrophobicContact CD1-CZ 3.91Å; L183-F198 HydrophobicContact CD2-CE2 4.14Å; L183-F198 HydrophobicContact CD2-CZ 3.68Å; L183-F198 HydrophobicContact CG-CZ 4.46Å; L183-I213 HydrophobicContact CD1-CD1 4.14Å; L183-I213 HydrophobicContact CD1-CG1 3.91Å; L183-I217 HydrophobicContact CD1-CD1 4.04Å; L183-I228 HydrophobicContact CB-CD1 3.83Å; L183-I228 HydrophobicContact CD1-CD1 4.35Å
184	I	98.6	Very high	98.3	Very high	33 Å²	33	27.5 Å²	27.5	17%	0.169	13%	0.134	C	C	.	.	H	α-helix	trans	-59.7	-45.9	174.5	-66.5	-62	0	0	0	110.5	Y180 F186 F187 Q188 E226 I228	Y180-I184 HydrophobicContact CD1-CG1 4.01Å; Y180-I184 HydrophobicContact CE1-CD1 4.07Å; Y180-I184 HydrophobicContact CE1-CG1 3.57Å; Y180-I184 HydrophobicContact CE2-CD1 4.5Å; Y180-I184 WeakPolarHBondContact O-CG1 3.49Å; Y180-I184 PolarHBondContact O-N 3.03Å; I184-F186 PolarHBondContact O-N 2.99Å; I184-F187 PolarHBondContact O-N 2.84Å; I184-Q188 VanDerWaalsContact O-CG 3.3Å; I184-Q188 WeakPolarHBondContact O-CG 3.16Å; I184-Q188 PolarHBondContact O-N 2.9Å; I184-E226 HydrophobicContact CD1-CB 4.35Å; I184-I228 HydrophobicContact CD1-CD1 4.1Å; I184-I228 HydrophobicContact CD1-CG1 4.22Å
185	Q	98.7	Very high	98.2	Very high	14 Å²	14	32.9 Å²	32.9	7%	0.065	16%	0.163	C	C	.	.	H	α-helix	trans	-65.2	-37.5	177.5	-72.2	-179.1	75.6	0	0	112.9	T46 I49 L78 T79 S181 A182 L183 Q188 I189	T46-Q185 PolarHBondContact OG1-OE1 3.27Å; I49-Q185 HydrophobicContact CD1-CB 3.56Å; I49-Q185 HydrophobicContact CD1-CG 3.88Å; L78-Q185 HydrophobicContact CD1-CB 4.27Å; L78-Q185 HydrophobicContact CD2-CB 3.88Å; T79-Q185 PolarHBondContact O-NE2 2.88Å; S181-Q185 WeakPolarHBondContact O-CG 3.42Å; S181-Q185 PolarHBondContact O-N 2.77Å; S181-Q185 PolarHBondContact O-NE2 2.84Å; S181-Q185 PolarHBondContact OG-NE2 2.94Å; A182-Q185 PolarHBondContact O-N 3.34Å; L183-Q185 VanDerWaalsContact C-N 3.32Å; L183-Q185 PolarHBondContact O-N 3.48Å; Q185-Q188 WeakPolarHBondContact O-CB 3.21Å; Q185-Q188 PolarHBondContact O-N 2.68Å; Q185-I189 PolarHBondContact O-N 2.85Å
186	F	98.8	Very high	98.2	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-51.9	174.6	170.2	-94.8	0	0	0	110.8	L78 F90 F92 V104 L149 A182 L183 I184 Q188 I189 F190	L78-F186 HydrophobicContact CD1-CB 4.39Å; F90-F186 HydrophobicContact CD2-CD2 4.41Å; F90-F186 HydrophobicContact CE2-CD2 4.37Å; F92-F186 HydrophobicContact CB-CE2 3.99Å; F92-F186 HydrophobicContact CD1-CE2 4.08Å; F92-F186 HydrophobicContact CD1-CZ 4.21Å; F92-F186 AromaticContact CD2-CE2 3.91Å; F92-F186 HydrophobicContact CD2-CE2 3.91Å; F92-F186 AromaticContact CD2-CZ 3.75Å; F92-F186 HydrophobicContact CD2-CZ 3.75Å; F92-F186 HydrophobicContact CE1-CZ 4.28Å; F92-F186 HydrophobicContact CE2-CE2 4.44Å; F92-F186 AromaticContact CE2-CZ 3.83Å; F92-F186 HydrophobicContact CE2-CZ 3.83Å; F92-F186 AromaticContact CG-CE2 3.73Å; F92-F186 HydrophobicContact CG-CE2 3.73Å; F92-F186 AromaticContact CG-CZ 3.95Å; F92-F186 HydrophobicContact CG-CZ 3.95Å; F92-F186 HydrophobicContact CZ-CZ 4.1Å; V104-F186 HydrophobicContact CG1-CE1 4.19Å; L149-F186 HydrophobicContact CD1-CD2 3.89Å; L149-F186 HydrophobicContact CD1-CE2 3.8Å; L149-F186 HydrophobicContact CD1-CZ 4.45Å; L149-F186 HydrophobicContact CD2-CD1 3.96Å; L149-F186 HydrophobicContact CD2-CD2 4Å; L149-F186 HydrophobicContact CD2-CE1 4.07Å; L149-F186 HydrophobicContact CD2-CE2 4.12Å; L149-F186 HydrophobicContact CD2-CG 3.94Å; L149-F186 HydrophobicContact CD2-CZ 4.15Å; L149-F186 HydrophobicContact CG-CE2 4.45Å; A182-F186 WeakPolarHBondContact O-CB 3.4Å; A182-F186 PolarHBondContact O-N 2.92Å; L183-F186 WeakPolarHBondContact O-CB 3.48Å; L183-F186 PolarHBondContact O-N 2.92Å; I184-F186 PolarHBondContact O-N 2.99Å; F186-Q188 PolarHBondContact O-N 2.78Å; F186-I189 PolarHBondContact O-N 2.93Å; F186-F190 AromaticContact CD2-CD2 3.48Å; F186-F190 HydrophobicContact CD2-CD2 3.48Å; F186-F190 VanDerWaalsContact CD2-CD2 3.48Å; F186-F190 AromaticContact CD2-CE2 3.75Å; F186-F190 HydrophobicContact CD2-CE2 3.75Å; F186-F190 AromaticContact CE2-CD2 3.31Å; F186-F190 HydrophobicContact CE2-CD2 3.31Å; F186-F190 AromaticContact CE2-CE2 3.61Å; F186-F190 HydrophobicContact CE2-CE2 3.61Å; F186-F190 HydrophobicContact CE2-CG 4.15Å; F186-F190 HydrophobicContact CG-CD2 4.2Å; F186-F190 HydrophobicContact CZ-CB 4.42Å; F186-F190 AromaticContact CZ-CD2 3.92Å; F186-F190 HydrophobicContact CZ-CD2 3.92Å; F186-F190 HydrophobicContact CZ-CG 4.37Å; F186-F190 WeakPolarHBondContact O-CD2 3.46Å; F186-F190 PolarHBondContact O-N 2.88Å
187	F	98.5	Very high	98.2	Very high	17 Å²	17	36.5 Å²	36.5	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-67.6	-21.4	177.9	-71	-63.2	0	0	0	113.3	L183 I184 F190 P191 F198 I228	L183-F187 WeakPolarHBondContact O-CD2 3.32Å; L183-F187 PolarHBondContact O-N 2.81Å; I184-F187 PolarHBondContact O-N 2.84Å; F187-F190 CarbonylContact O-C 3.51Å; F187-P191 VanDerWaalsContact O-CA 3.23Å; F187-P191 WeakPolarHBondContact O-CA 3.37Å; F187-F198 HydrophobicContact CE2-CD2 4.37Å; F187-F198 HydrophobicContact CE2-CE2 4.48Å; F187-F198 AromaticContact CZ-CD2 3.74Å; F187-F198 HydrophobicContact CZ-CD2 3.74Å; F187-F198 HydrophobicContact CZ-CE2 4.14Å; F187-F198 HydrophobicContact CZ-CG 4.15Å; F187-I228 HydrophobicContact CD2-CD1 4.48Å; F187-I228 HydrophobicContact CD2-CG1 4.08Å; F187-I228 HydrophobicContact CE2-CD1 4.37Å; F187-I228 HydrophobicContact CE2-CG1 4.04Å; F187-I228 HydrophobicContact CE2-CG2 3.89Å; F187-I228 HydrophobicContact CZ-CG2 4.45Å
188	Q	98.1	Very high	98.2	Very high	72 Å²	72	31.1 Å²	31.1	34%	0.336	16%	0.161	S	C	.	.	H	α-helix	trans	-72.3	-37.7	169.2	-73.7	172	-32.4	0	0	112.5	I49 I54 I184 Q185 F186	I49-Q188 HydrophobicContact CG2-CB 4.25Å; I54-Q188 WeakPolarHBondContact CG2-O 3.4Å; I184-Q188 VanDerWaalsContact O-CG 3.3Å; I184-Q188 WeakPolarHBondContact O-CG 3.16Å; I184-Q188 PolarHBondContact O-N 2.9Å; Q185-Q188 WeakPolarHBondContact O-CB 3.21Å; Q185-Q188 PolarHBondContact O-N 2.68Å; F186-Q188 PolarHBondContact O-N 2.78Å
189	I	98.4	Very high	98.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-74.4	-34.9	175.9	-70.5	-68	0	0	0	112.1	L45 I49 K58 Q185 F186 P191	L45-I189 HydrophobicContact CB-CD1 4.42Å; L45-I189 HydrophobicContact CB-CG1 4.44Å; L45-I189 HydrophobicContact CD1-CG1 4.38Å; L45-I189 HydrophobicContact CD1-CG2 4.46Å; I49-I189 HydrophobicContact CD1-CD1 4.07Å; I49-I189 HydrophobicContact CD1-CG1 3.67Å; I49-I189 HydrophobicContact CG1-CD1 3.49Å; I49-I189 VanDerWaalsContact CG1-CD1 3.49Å; I49-I189 HydrophobicContact CG1-CG1 3.66Å; K58-I189 HydrophobicContact CB-CG2 4.02Å; K58-I189 HydrophobicContact CG-CG2 4.48Å; Q185-I189 PolarHBondContact O-N 2.85Å; F186-I189 PolarHBondContact O-N 2.93Å; I189-P191 WeakPolarHBondContact O-CD 3.38Å
190	F	98.1	Very high	98.2	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	16%	0.16	C	C	.	.			trans	-118.2	62	-178.1	-57.5	-79.5	0	0	0	111.1	K58 Y74 F90 F92 F186 F187 E192 Y193	K58-F190 HydrophobicContact CD-CD1 4.32Å; K58-F190 HydrophobicContact CG-CD1 4.24Å; K58-F190 HydrophobicContact CG-CE1 3.97Å; Y74-F190 AromaticContact CD1-CE1 3.88Å; Y74-F190 HydrophobicContact CD1-CE1 3.88Å; Y74-F190 HydrophobicContact CD1-CZ 4.13Å; Y74-F190 AromaticContact CD2-CE1 3.84Å; Y74-F190 HydrophobicContact CD2-CE1 3.84Å; Y74-F190 HydrophobicContact CD2-CZ 4.23Å; Y74-F190 HydrophobicContact CE1-CE1 4.21Å; Y74-F190 HydrophobicContact CE2-CE1 4.18Å; Y74-F190 AromaticContact CG-CE1 3.66Å; Y74-F190 HydrophobicContact CG-CE1 3.66Å; Y74-F190 AromaticContact CG-CZ 3.74Å; Y74-F190 HydrophobicContact CG-CZ 3.74Å; F90-F190 AromaticContact CE2-CE2 3.87Å; F90-F190 HydrophobicContact CE2-CE2 3.87Å; F90-F190 HydrophobicContact CE2-CZ 4.26Å; F90-F190 HydrophobicContact CZ-CE2 4.01Å; F90-F190 HydrophobicContact CZ-CZ 4.4Å; F92-F190 HydrophobicContact CD1-CD1 4.42Å; F92-F190 HydrophobicContact CD1-CE1 4.22Å; F92-F190 HydrophobicContact CD1-CZ 4.29Å; F92-F190 HydrophobicContact CE1-CD1 4.46Å; F186-F190 AromaticContact CD2-CD2 3.48Å; F186-F190 HydrophobicContact CD2-CD2 3.48Å; F186-F190 VanDerWaalsContact CD2-CD2 3.48Å; F186-F190 AromaticContact CD2-CE2 3.75Å; F186-F190 HydrophobicContact CD2-CE2 3.75Å; F186-F190 AromaticContact CE2-CD2 3.31Å; F186-F190 HydrophobicContact CE2-CD2 3.31Å; F186-F190 AromaticContact CE2-CE2 3.61Å; F186-F190 HydrophobicContact CE2-CE2 3.61Å; F186-F190 HydrophobicContact CE2-CG 4.15Å; F186-F190 HydrophobicContact CG-CD2 4.2Å; F186-F190 HydrophobicContact CZ-CB 4.42Å; F186-F190 AromaticContact CZ-CD2 3.92Å; F186-F190 HydrophobicContact CZ-CD2 3.92Å; F186-F190 HydrophobicContact CZ-CG 4.37Å; F186-F190 WeakPolarHBondContact O-CD2 3.46Å; F186-F190 PolarHBondContact O-N 2.88Å; F187-F190 CarbonylContact O-C 3.51Å; F190-E192 PolarHBondContact O-N 2.92Å; F190-E192 VanDerWaalsContact O-N 3.15Å; F190-Y193 HydrophobicContact CB-CD2 3.86Å; F190-Y193 HydrophobicContact CB-CE2 4.48Å; F190-Y193 PolarHBondContact O-N 3.15Å; F190-Y193 VanDerWaalsContact O-N 3.07Å
191	P	96.9	Very high	98.2	Very high	71 Å²	71	29.6 Å²	29.6	46%	0.461	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-63.7	-22.8	-173	28	-36.5	0	0	0	113.1	F187 I189 Y193 K194	F187-P191 VanDerWaalsContact O-CA 3.23Å; F187-P191 WeakPolarHBondContact O-CA 3.37Å; I189-P191 WeakPolarHBondContact O-CD 3.38Å; P191-Y193 PolarHBondContact O-N 3.09Å; P191-K194 WeakPolarHBondContact O-CB 3.27Å; P191-K194 PolarHBondContact O-N 3.24Å
192	E	96.9	Very high	98.2	Very high	68 Å²	68	27.9 Å²	27.9	32%	0.318	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-63.8	-17.9	176	70.6	-88.3	-158.1	0	0	113.8	K58 F190 N196	K58-E192 VanDerWaalsContact CE-OE1 3.26Å; K58-E192 WeakPolarHBondContact CE-OE1 3.33Å; K58-E192 IonicContact NZ-OE1 2.55Å; K58-E192 PolarHBondContact NZ-OE1 3.07Å; K58-E192 IonicContact NZ-OE2 2.82Å; K58-E192 PolarHBondContact NZ-OE2 3.32Å; F190-E192 PolarHBondContact O-N 2.92Å; F190-E192 VanDerWaalsContact O-N 3.15Å; E192-N196 PolarHBondContact O-OD1 3.16Å
193	Y	97.9	Very high	98.2	Very high	13 Å²	13	27.9 Å²	27.9	5%	0.051	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-98.2	1.5	177.8	-66.2	-85.4	0	0	0	114	F92 P94 P99 V104 F190 P191 D195 N196	F92-Y193 HydrophobicContact CE1-CD2 4.29Å; F92-Y193 AromaticContact CE1-CE2 3.72Å; F92-Y193 HydrophobicContact CE1-CE2 3.72Å; F92-Y193 AromaticContact CE1-CZ 3.87Å; F92-Y193 HydrophobicContact CZ-CD1 4.32Å; F92-Y193 HydrophobicContact CZ-CD2 4.24Å; F92-Y193 AromaticContact CZ-CE1 3.96Å; F92-Y193 HydrophobicContact CZ-CE1 3.96Å; F92-Y193 AromaticContact CZ-CE2 3.88Å; F92-Y193 HydrophobicContact CZ-CE2 3.88Å; F92-Y193 HydrophobicContact CZ-CG 4.44Å; F92-Y193 AromaticContact CZ-CZ 3.73Å; P94-Y193 WeakPolarHBondContact CB-OH 3.42Å; P99-Y193 WeakPolarHBondContact O-CE1 3.4Å; V104-Y193 HydrophobicContact CG2-CD1 3.57Å; V104-Y193 HydrophobicContact CG2-CG 3.94Å; F190-Y193 HydrophobicContact CB-CD2 3.86Å; F190-Y193 HydrophobicContact CB-CE2 4.48Å; F190-Y193 PolarHBondContact O-N 3.15Å; F190-Y193 VanDerWaalsContact O-N 3.07Å; P191-Y193 PolarHBondContact O-N 3.09Å; Y193-D195 VanDerWaalsContact C-N 3.26Å; Y193-D195 PolarHBondContact O-N 3.17Å; Y193-N196 WeakPolarHBondContact CA-OD1 3.3Å; Y193-N196 WeakPolarHBondContact O-CB 3.37Å; Y193-N196 PolarHBondContact O-N 2.81Å
194	K	95.8	Very high	98.2	Very high	66 Å²	66	28.3 Å²	28.3	29%	0.287	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-33.9	-173.2	-178.3	174.9	170.1	178.3	0	112.8	P191 E226	P191-K194 WeakPolarHBondContact O-CB 3.27Å; P191-K194 PolarHBondContact O-N 3.24Å; K194-E226 VanDerWaalsContact CE-OE2 3.25Å; K194-E226 WeakPolarHBondContact CE-OE2 3.47Å; K194-E226 IonicContact NZ-OE1 3.42Å; K194-E226 PolarHBondContact NZ-OE1 3.28Å; K194-E226 IonicContact NZ-OE2 2.61Å; K194-E226 PolarHBondContact NZ-OE2 2.89Å
195	D	96.3	Very high	98.2	Very high	141 Å²	141	27 Å²	27	75%	0.754	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.8	-179.2	-65.3	-35.6	0	0	0	112.8	Y193 N229	Y193-D195 VanDerWaalsContact C-N 3.26Å; Y193-D195 PolarHBondContact O-N 3.17Å; D195-N229 PolarHBondContact O-ND2 3.27Å
196	N	98.6	Very high	98.2	Very high	17 Å²	17	26.4 Å²	26.4	9%	0.091	14%	0.136	C	C	.	.	S	Bend	trans	-63.9	150.8	178.3	-63.3	47.3	0	0	0	110.4	E100 A102 V104 E192 Y193 F198 N229	E100-N196 PolarHBondContact O-ND2 3.05Å; A102-N196 PolarHBondContact O-ND2 2.99Å; V104-N196 HydrophobicContact CG2-CB 4.26Å; E192-N196 PolarHBondContact O-OD1 3.16Å; Y193-N196 WeakPolarHBondContact CA-OD1 3.3Å; Y193-N196 WeakPolarHBondContact O-CB 3.37Å; Y193-N196 PolarHBondContact O-N 2.81Å; N196-F198 PolarHBondContact O-N 2.94Å; N196-N229 WeakPolarHBondContact O-CB 3.35Å; N196-N229 PolarHBondContact O-ND2 3.08Å; N196-N229 VanDerWaalsContact O-ND2 3.11Å
197	D	98.8	Very high	98.1	Very high	64 Å²	64	26.3 Å²	26.3	34%	0.342	14%	0.135	S	C	.	.			trans	-60.3	126.3	172.1	-77.1	-3.8	0	0	0	109.6	P103 V104 Y199 N229 K231	P103-D197 CarbonylContact C-O 3.56Å; P103-D197 VanDerWaalsContact CA-O 3.22Å; P103-D197 WeakPolarHBondContact CA-O 3.25Å; P103-D197 HydrophobicContact CB-CB 4.14Å; P103-D197 WeakPolarHBondContact CB-O 3.28Å; P103-D197 HydrophobicContact CG-CB 4.29Å; V104-D197 PolarHBondContact N-O 2.91Å; D197-Y199 HydrophobicContact CB-CE2 4Å; D197-N229 PolarHBondContact OD1-ND2 3.25Å; D197-K231 HydrophobicContact CB-CG 3.63Å; D197-K231 VanDerWaalsContact CG-CG 3.45Å; D197-K231 WeakPolarHBondContact OD1-CE 3.48Å; D197-K231 IonicContact OD1-NZ 3.89Å
198	F	98.9	Very high	98.1	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.4	179.9	-178.2	-110.8	0	0	0	111.4	V104 L106 L183 F187 N196 V200 I217 I228 N229 L230 K231	V104-F198 HydrophobicContact CB-CD2 4.06Å; V104-F198 HydrophobicContact CG1-CD2 3.92Å; V104-F198 HydrophobicContact CG1-CE2 4.12Å; V104-F198 WeakPolarHBondContact O-CA 3.36Å; V104-F198 WeakPolarHBondContact O-CD2 3.27Å; L106-F198 HydrophobicContact CB-CE2 3.93Å; L106-F198 HydrophobicContact CB-CZ 3.76Å; L106-F198 HydrophobicContact CD2-CZ 4.28Å; L183-F198 HydrophobicContact CD1-CE1 4.11Å; L183-F198 HydrophobicContact CD1-CZ 3.91Å; L183-F198 HydrophobicContact CD2-CE2 4.14Å; L183-F198 HydrophobicContact CD2-CZ 3.68Å; L183-F198 HydrophobicContact CG-CZ 4.46Å; F187-F198 HydrophobicContact CE2-CD2 4.37Å; F187-F198 HydrophobicContact CE2-CE2 4.48Å; F187-F198 AromaticContact CZ-CD2 3.74Å; F187-F198 HydrophobicContact CZ-CD2 3.74Å; F187-F198 HydrophobicContact CZ-CE2 4.14Å; F187-F198 HydrophobicContact CZ-CG 4.15Å; N196-F198 PolarHBondContact O-N 2.94Å; F198-V200 HydrophobicContact CD1-CG2 4.3Å; F198-V200 HydrophobicContact CE1-CG2 3.5Å; F198-V200 VanDerWaalsContact CE1-CG2 3.5Å; F198-V200 HydrophobicContact CZ-CG2 4.02Å; F198-I217 HydrophobicContact CE1-CD1 4.04Å; F198-I228 HydrophobicContact CB-CG2 4.11Å; F198-I228 HydrophobicContact CD1-CG2 3.31Å; F198-I228 HydrophobicContact CE1-CG2 3.85Å; F198-I228 HydrophobicContact CG-CG2 3.83Å; F198-N229 WeakPolarHBondContact CB-O 3.29Å; F198-N229 PolarHBondContact N-O 2.93Å; F198-L230 HydrophobicContact CD1-CD1 4.09Å; F198-L230 WeakPolarHBondContact O-CA 3.27Å; F198-K231 PolarHBondContact O-N 2.86Å
199	Y	98.9	Very high	98.2	Very high	4 Å²	4	22 Å²	22	2%	0.016	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.9	175.2	-69.1	-94.7	0	0	0	110.8	P103 V104 V105 L106 D197 K231 G232 K379 F465 I466	P103-Y199 HydrophobicContact CB-CD2 4.18Å; P103-Y199 HydrophobicContact CB-CE2 4.25Å; V104-Y199 PolarHBondContact O-N 3.44Å; V105-Y199 WeakPolarHBondContact CA-O 3.33Å; L106-Y199 PolarHBondContact N-O 2.99Å; D197-Y199 HydrophobicContact CB-CE2 4Å; Y199-K231 HydrophobicContact CD2-CB 4.48Å; Y199-K231 HydrophobicContact CE1-CB 3.89Å; Y199-K231 HydrophobicContact CE2-CB 3.86Å; Y199-K231 HydrophobicContact CE2-CG 4.46Å; Y199-G232 WeakPolarHBondContact CA-O 3.25Å; Y199-G232 WeakPolarHBondContact CD1-O 3.21Å; Y199-K379 PolarHBondContact OH-NZ 2.89Å; Y199-F465 AromaticContact CD1-CE1 3.94Å; Y199-F465 HydrophobicContact CD1-CE1 3.94Å; Y199-F465 HydrophobicContact CD1-CZ 4.49Å; Y199-F465 AromaticContact CE1-CE1 3.95Å; Y199-F465 HydrophobicContact CE1-CE1 3.95Å; Y199-F465 HydrophobicContact CE1-CZ 4.28Å; Y199-I466 HydrophobicContact CD1-CD1 3.49Å; Y199-I466 VanDerWaalsContact CD1-CD1 3.49Å; Y199-I466 HydrophobicContact CD2-CD1 3.42Å; Y199-I466 VanDerWaalsContact CD2-CD1 3.42Å; Y199-I466 HydrophobicContact CD2-CG2 4.45Å; Y199-I466 HydrophobicContact CE1-CD1 3.75Å; Y199-I466 HydrophobicContact CE2-CD1 3.65Å; Y199-I466 HydrophobicContact CE2-CG2 3.96Å; Y199-I466 HydrophobicContact CG-CD1 3.33Å
200	V	98.9	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.7	171.1	-174.2	0	0	0	0	108.2	L106 L108 F198 V210 I213 L230 G232 I233 A234	L106-V200 HydrophobicContact CD2-CG1 4.06Å; L108-V200 HydrophobicContact CD1-CG1 4.36Å; F198-V200 HydrophobicContact CD1-CG2 4.3Å; F198-V200 HydrophobicContact CE1-CG2 3.5Å; F198-V200 VanDerWaalsContact CE1-CG2 3.5Å; F198-V200 HydrophobicContact CZ-CG2 4.02Å; V200-V210 HydrophobicContact CB-CG1 4.17Å; V200-V210 HydrophobicContact CG1-CB 4.13Å; V200-V210 HydrophobicContact CG1-CG1 3.81Å; V200-V210 HydrophobicContact CG1-CG2 3.99Å; V200-I213 HydrophobicContact CB-CG2 4.37Å; V200-I213 HydrophobicContact CG1-CG2 3.49Å; V200-I213 VanDerWaalsContact CG1-CG2 3.49Å; V200-I213 HydrophobicContact CG2-CG2 4.15Å; V200-L230 HydrophobicContact CG2-CD1 4Å; V200-G232 PolarHBondContact N-O 3Å; V200-I233 HydrophobicContact CB-CG2 4.11Å; V200-I233 CarbonylContact O-C 3.52Å; V200-I233 WeakPolarHBondContact O-CA 3.35Å; V200-I233 WeakPolarHBondContact O-CB 3.46Å; V200-A234 PolarHBondContact O-N 2.69Å; V200-A234 VanDerWaalsContact O-N 3.07Å
201	T	98.9	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	157.3	-178.5	70.2	0	0	0	0	111.3	V105 L106 W107 L108 A234	V105-T201 HydrophobicContact CG1-CG2 3.61Å; V105-T201 WeakPolarHBondContact CG1-OG1 3.44Å; L106-T201 CarbonylContact O-C 3.55Å; L106-T201 WeakPolarHBondContact O-CA 3.24Å; L106-T201 WeakPolarHBondContact O-CB 3.46Å; L106-T201 PolarHBondContact O-N 3.38Å; L106-T201 VanDerWaalsContact O-O 3.09Å; L106-T201 PolarHBondContact O-OG1 3.21Å; W107-T201 CarbonylContact C-O 3.59Å; W107-T201 WeakPolarHBondContact CA-O 3.49Å; L108-T201 PolarHBondContact N-O 3.23Å; T201-A234 WeakPolarHBondContact CA-O 3.36Å; T201-A234 HydrophobicContact CG2-CB 3.69Å
202	G	98.8	Very high	98.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	177.6	178.8	0	0	0	0	0	111.8	L108 A234 I235 G236	L108-G202 WeakPolarHBondContact O-CA 3.45Å; G202-A234 PolarHBondContact N-O 3.2Å; G202-A234 VanDerWaalsContact N-O 3.16Å; G202-I235 WeakPolarHBondContact O-CA 3.29Å; G202-G236 PolarHBondContact O-N 2.79Å
203	E	98.6	Very high	98.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	167	180	70.2	175.7	-163.5	0	0	114.5	W107 L108 Q109 G110 E123 Y205 A206 G236	W107-E203 HydrophobicContact CH2-CB 4.05Å; W107-E203 HydrophobicContact CH2-CG 4.05Å; W107-E203 HydrophobicContact CZ2-CB 4.27Å; W107-E203 HydrophobicContact CZ2-CG 3.77Å; L108-E203 PolarHBondContact O-N 3.22Å; Q109-E203 PolarHBondContact NE2-OE1 3.03Å; Q109-E203 PolarHBondContact OE1-OE1 2.95Å; G110-E203 WeakPolarHBondContact CA-O 3.34Å; G110-E203 PolarHBondContact N-O 3.01Å; E123-E203 VanDerWaalsContact OE2-OE2 3.09Å; E203-Y205 PolarHBondContact O-N 2.63Å; E203-A206 WeakPolarHBondContact O-CA 3.23Å; E203-A206 WeakPolarHBondContact O-CB 3.32Å; E203-A206 PolarHBondContact O-N 3.25Å; E203-G236 CarbonylContact C-O 3.4Å; E203-G236 WeakPolarHBondContact CA-O 3.21Å; E203-G236 WeakPolarHBondContact CB-O 2.97Å
204	S	97.9	Very high	98.5	Very high	10 Å²	10	14.8 Å²	14.8	7%	0.07	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-124	173.6	-163.2	0	0	0	0	111.6	A206 G207 G236 D237 G238 Y239 H448	S204-A206 PolarHBondContact O-N 2.84Å; S204-G207 PolarHBondContact O-N 2.69Å; S204-G236 PolarHBondContact N-O 3.48Å; S204-D237 VanDerWaalsContact CA-O 3.29Å; S204-D237 WeakPolarHBondContact CA-O 3.36Å; S204-D237 PolarHBondContact N-O 2.99Å; S204-G238 WeakPolarHBondContact O-CA 3.44Å; S204-Y239 PolarHBondContact O-N 2.89Å; S204-H448 WeakPolarHBondContact CB-NE2 3.27Å; S204-H448 PolarHBondContact OG-CE1 2.78Å; S204-H448 PolarHBondContact OG-NE2 2.95Å
205	Y	98.4	Very high	98.6	Very high	6 Å²	6	13.3 Å²	13.3	2%	0.024	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.8	173.6	-158.8	-88.3	0	0	0	114.4	G111 P112 E203 G207 K208 Y209 L359 D362 T363	G111-Y205 VanDerWaalsContact C-CB 3.49Å; G111-Y205 WeakPolarHBondContact O-CB 3.37Å; P112-Y205 HydrophobicContact CB-CD1 3.91Å; P112-Y205 HydrophobicContact CB-CE1 3.8Å; P112-Y205 HydrophobicContact CB-CG 4.33Å; P112-Y205 HydrophobicContact CG-CD1 4.46Å; P112-Y205 HydrophobicContact CG-CD2 4.43Å; P112-Y205 HydrophobicContact CG-CE1 4.19Å; P112-Y205 HydrophobicContact CG-CE2 4.1Å; E203-Y205 PolarHBondContact O-N 2.63Å; Y205-G207 PolarHBondContact O-N 3.44Å; Y205-K208 HydrophobicContact CD1-CB 4.42Å; Y205-K208 HydrophobicContact CD1-CD 3.94Å; Y205-K208 HydrophobicContact CD2-CD 3.91Å; Y205-K208 HydrophobicContact CE1-CB 4.36Å; Y205-K208 HydrophobicContact CE1-CD 3.6Å; Y205-K208 HydrophobicContact CE2-CD 3.61Å; Y205-K208 HydrophobicContact CG-CD 4.11Å; Y205-K208 VanDerWaalsContact CZ-CD 3.47Å; Y205-K208 WeakPolarHBondContact O-CB 3.37Å; Y205-K208 PolarHBondContact O-N 3.02Å; Y205-Y209 HydrophobicContact CD1-CD1 4.27Å; Y205-Y209 AromaticContact CD1-CE1 3.56Å; Y205-Y209 HydrophobicContact CD1-CE1 3.56Å; Y205-Y209 HydrophobicContact CD1-CE2 4Å; Y205-Y209 AromaticContact CD1-CZ 3.42Å; Y205-Y209 VanDerWaalsContact CD1-CZ 3.42Å; Y205-Y209 HydrophobicContact CE1-CD1 4.46Å; Y205-Y209 AromaticContact CE1-CE1 3.63Å; Y205-Y209 HydrophobicContact CE1-CE1 3.63Å; Y205-Y209 AromaticContact CE1-CZ 3.85Å; Y205-L359 PolarHBondContact OH-O 3.31Å; Y205-D362 PolarHBondContact OH-OD2 3.3Å; Y205-T363 HydrophobicContact CE2-CG2 4.01Å; Y205-T363 WeakPolarHBondContact CE2-OG1 3.42Å; Y205-T363 WeakPolarHBondContact OH-CA 3.23Å; Y205-T363 PolarHBondContact OH-N 3.35Å; Y205-T363 PolarHBondContact OH-OG1 2.93Å
206	A	98.7	Very high	98.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.5	-8.9	166.9	0	0	0	0	0	112.3	L108 E203 S204 K208 Y209 V210	L108-A206 HydrophobicContact CB-CB 4.04Å; L108-A206 VanDerWaalsContact O-CB 3.23Å; L108-A206 WeakPolarHBondContact O-CB 3.38Å; E203-A206 WeakPolarHBondContact O-CA 3.23Å; E203-A206 WeakPolarHBondContact O-CB 3.32Å; E203-A206 PolarHBondContact O-N 3.25Å; S204-A206 PolarHBondContact O-N 2.84Å; A206-K208 PolarHBondContact O-N 3.48Å; A206-K208 VanDerWaalsContact O-N 3.08Å; A206-Y209 HydrophobicContact CB-CD2 3.84Å; A206-Y209 HydrophobicContact CB-CG 4.44Å; A206-Y209 PolarHBondContact O-N 3.47Å; A206-V210 HydrophobicContact CB-CG2 4.1Å; A206-V210 WeakPolarHBondContact O-CB 3.31Å; A206-V210 WeakPolarHBondContact O-CG2 3.47Å; A206-V210 PolarHBondContact O-N 3.44Å
207	G	98.4	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-55.1	-15.2	159.6	0	0	0	0	0	114.5	S204 Y205 P211 S240 V367	S204-G207 PolarHBondContact O-N 2.69Å; Y205-G207 PolarHBondContact O-N 3.44Å; G207-P211 VanDerWaalsContact O-CD 3.25Å; G207-P211 WeakPolarHBondContact O-CD 3.41Å; G207-P211 VanDerWaalsContact O-CG 3.27Å; G207-P211 WeakPolarHBondContact O-CG 3.29Å; G207-S240 WeakPolarHBondContact O-CB 3.33Å; G207-S240 PolarHBondContact O-OG 3.21Å; G207-V367 WeakPolarHBondContact O-CG2 3.3Å
208	K	98.8	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-99.5	-49.1	168.2	-71.2	153.9	158.2	-78.8	0	112.5	E172 Y205 A206 V210 P211 A212 Y239 D362 T363 Q365 V367	E172-K208 VanDerWaalsContact CD-CB 3.48Å; E172-K208 HydrophobicContact CG-CB 3.94Å; Y205-K208 HydrophobicContact CD1-CB 4.42Å; Y205-K208 HydrophobicContact CD1-CD 3.94Å; Y205-K208 HydrophobicContact CD2-CD 3.91Å; Y205-K208 HydrophobicContact CE1-CB 4.36Å; Y205-K208 HydrophobicContact CE1-CD 3.6Å; Y205-K208 HydrophobicContact CE2-CD 3.61Å; Y205-K208 HydrophobicContact CG-CD 4.11Å; Y205-K208 VanDerWaalsContact CZ-CD 3.47Å; Y205-K208 WeakPolarHBondContact O-CB 3.37Å; Y205-K208 PolarHBondContact O-N 3.02Å; A206-K208 PolarHBondContact O-N 3.48Å; A206-K208 VanDerWaalsContact O-N 3.08Å; K208-V210 VanDerWaalsContact C-N 3.33Å; K208-V210 PolarHBondContact O-N 2.8Å; K208-P211 VanDerWaalsContact O-CD 3.28Å; K208-P211 WeakPolarHBondContact O-CD 3.5Å; K208-A212 WeakPolarHBondContact O-CB 3.33Å; K208-A212 PolarHBondContact O-N 2.94Å; K208-A212 VanDerWaalsContact O-N 3.07Å; K208-Y239 WeakPolarHBondContact CG-O 3.39Å; K208-D362 PolarHBondContact NZ-O 3Å; K208-D362 IonicContact NZ-OD2 3.44Å; K208-D362 PolarHBondContact NZ-OD2 3.21Å; K208-T363 WeakPolarHBondContact CE-O 3.26Å; K208-T363 PolarHBondContact NZ-O 3.4Å; K208-Q365 PolarHBondContact NZ-O 3.39Å; K208-V367 HydrophobicContact CB-CG1 4.05Å; K208-V367 HydrophobicContact CB-CG2 4.36Å; K208-V367 HydrophobicContact CG-CG1 3.94Å; K208-V367 HydrophobicContact CG-CG2 3.97Å
209	Y	98.8	Very high	98.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-56.7	-46.5	-178.9	-54.4	-32.1	0	0	0	112.4	P112 N153 P154 E172 V175 Y205 A206 A212 I213 L359	P112-Y209 WeakPolarHBondContact CA-OH 3.36Å; P112-Y209 WeakPolarHBondContact CB-OH 3.17Å; N153-Y209 WeakPolarHBondContact ND2-CD2 3.28Å; P154-Y209 WeakPolarHBondContact CD-OH 3.12Å; P154-Y209 HydrophobicContact CG-CE1 4.13Å; E172-Y209 WeakPolarHBondContact OE1-CD1 3.11Å; E172-Y209 VanDerWaalsContact OE1-CE1 3.26Å; E172-Y209 WeakPolarHBondContact OE1-CE1 3.29Å; E172-Y209 VanDerWaalsContact OE2-CA 3.27Å; E172-Y209 WeakPolarHBondContact OE2-CA 3.44Å; E172-Y209 VanDerWaalsContact OE2-CD1 3.24Å; E172-Y209 WeakPolarHBondContact OE2-CD1 3.23Å; E172-Y209 PolarHBondContact OE2-N 2.85Å; E172-Y209 VanDerWaalsContact OE2-N 3.12Å; V175-Y209 HydrophobicContact CB-CD1 4.43Å; V175-Y209 HydrophobicContact CG1-CD1 3.69Å; V175-Y209 HydrophobicContact CG1-CE1 4.15Å; V175-Y209 HydrophobicContact CG1-CG 4.29Å; V175-Y209 HydrophobicContact CG2-CD1 4.38Å; V175-Y209 HydrophobicContact CG2-CE1 4.16Å; Y205-Y209 HydrophobicContact CD1-CD1 4.27Å; Y205-Y209 AromaticContact CD1-CE1 3.56Å; Y205-Y209 HydrophobicContact CD1-CE1 3.56Å; Y205-Y209 HydrophobicContact CD1-CE2 4Å; Y205-Y209 AromaticContact CD1-CZ 3.42Å; Y205-Y209 VanDerWaalsContact CD1-CZ 3.42Å; Y205-Y209 HydrophobicContact CE1-CD1 4.46Å; Y205-Y209 AromaticContact CE1-CE1 3.63Å; Y205-Y209 HydrophobicContact CE1-CE1 3.63Å; Y205-Y209 AromaticContact CE1-CZ 3.85Å; A206-Y209 HydrophobicContact CB-CD2 3.84Å; A206-Y209 HydrophobicContact CB-CG 4.44Å; A206-Y209 PolarHBondContact O-N 3.47Å; Y209-A212 PolarHBondContact O-N 3.07Å; Y209-I213 VanDerWaalsContact O-CG2 3.3Å; Y209-I213 WeakPolarHBondContact O-CG2 3.41Å; Y209-I213 PolarHBondContact O-N 3.48Å; Y209-L359 HydrophobicContact CE1-CD1 4.42Å
210	V	98.9	Very high	98.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.5	-51.4	-174.5	172.2	0	0	0	0	111.3	L108 V200 A206 K208 A212 I213 A214 I233 I235	L108-V210 HydrophobicContact CD1-CG2 4.38Å; V200-V210 HydrophobicContact CB-CG1 4.17Å; V200-V210 HydrophobicContact CG1-CB 4.13Å; V200-V210 HydrophobicContact CG1-CG1 3.81Å; V200-V210 HydrophobicContact CG1-CG2 3.99Å; A206-V210 HydrophobicContact CB-CG2 4.1Å; A206-V210 WeakPolarHBondContact O-CB 3.31Å; A206-V210 WeakPolarHBondContact O-CG2 3.47Å; A206-V210 PolarHBondContact O-N 3.44Å; K208-V210 VanDerWaalsContact C-N 3.33Å; K208-V210 PolarHBondContact O-N 2.8Å; V210-A212 VanDerWaalsContact C-N 3.32Å; V210-A212 PolarHBondContact O-N 3.35Å; V210-I213 WeakPolarHBondContact O-CG2 3.49Å; V210-A214 WeakPolarHBondContact O-CB 3.47Å; V210-A214 PolarHBondContact O-N 2.6Å; V210-I233 HydrophobicContact CG1-CB 3.66Å; V210-I233 HydrophobicContact CG1-CD1 4.21Å; V210-I233 HydrophobicContact CG1-CG2 3.81Å; V210-I235 HydrophobicContact CB-CD1 4.23Å; V210-I235 HydrophobicContact CB-CG1 4.05Å; V210-I235 HydrophobicContact CG1-CD1 4.07Å; V210-I235 HydrophobicContact CG1-CG1 3.76Å
211	P	98.8	Very high	98.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.1	-40	171.9	-28.1	36.9	0	0	0	113.7	G207 K208 A214 H215 I235 V367 W370 L371	G207-P211 VanDerWaalsContact O-CD 3.25Å; G207-P211 WeakPolarHBondContact O-CD 3.41Å; G207-P211 VanDerWaalsContact O-CG 3.27Å; G207-P211 WeakPolarHBondContact O-CG 3.29Å; K208-P211 VanDerWaalsContact O-CD 3.28Å; K208-P211 WeakPolarHBondContact O-CD 3.5Å; P211-A214 PolarHBondContact O-N 3.04Å; P211-H215 WeakPolarHBondContact O-CB 3.23Å; P211-H215 PolarHBondContact O-N 3.46Å; P211-I235 HydrophobicContact CG-CD1 3.84Å; P211-V367 HydrophobicContact CB-CG2 4.36Å; P211-V367 HydrophobicContact CG-CG2 4.26Å; P211-W370 HydrophobicContact CB-CB 4.4Å; P211-L371 HydrophobicContact CB-CB 4.14Å; P211-L371 HydrophobicContact CG-CB 4.11Å; P211-L371 HydrophobicContact CG-CD1 4.1Å
212	A	98.8	Very high	98.6	Very high	2 Å²	2	16.9 Å²	16.9	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-63.1	-51.7	-176.9	0	0	0	0	0	112.1	E172 A176 K208 Y209 V210 H215 L216 W370	E172-A212 HydrophobicContact CB-CB 3.89Å; A176-A212 HydrophobicContact CB-CB 4.04Å; K208-A212 WeakPolarHBondContact O-CB 3.33Å; K208-A212 PolarHBondContact O-N 2.94Å; K208-A212 VanDerWaalsContact O-N 3.07Å; Y209-A212 PolarHBondContact O-N 3.07Å; V210-A212 VanDerWaalsContact C-N 3.32Å; V210-A212 PolarHBondContact O-N 3.35Å; A212-H215 PolarHBondContact O-N 3.07Å; A212-L216 PolarHBondContact O-N 3.17Å; A212-W370 HydrophobicContact CB-CE3 3.92Å; A212-W370 HydrophobicContact CB-CZ3 3.7Å
213	I	98.9	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.4	-39.4	177.8	-174.7	55.7	0	0	0	112	A176 L179 Y180 L183 V200 Y209 V210 H215 L216 I217	A176-I213 WeakPolarHBondContact O-CD1 3.18Å; L179-I213 HydrophobicContact CB-CD1 3.82Å; L179-I213 HydrophobicContact CB-CG1 4.07Å; L179-I213 HydrophobicContact CD1-CB 4.21Å; L179-I213 HydrophobicContact CD1-CG2 4.5Å; Y180-I213 HydrophobicContact CD2-CD1 4.47Å; L183-I213 HydrophobicContact CD1-CD1 4.14Å; L183-I213 HydrophobicContact CD1-CG1 3.91Å; V200-I213 HydrophobicContact CB-CG2 4.37Å; V200-I213 HydrophobicContact CG1-CG2 3.49Å; V200-I213 VanDerWaalsContact CG1-CG2 3.49Å; V200-I213 HydrophobicContact CG2-CG2 4.15Å; Y209-I213 VanDerWaalsContact O-CG2 3.3Å; Y209-I213 WeakPolarHBondContact O-CG2 3.41Å; Y209-I213 PolarHBondContact O-N 3.48Å; V210-I213 WeakPolarHBondContact O-CG2 3.49Å; I213-H215 VanDerWaalsContact C-N 3.33Å; I213-H215 PolarHBondContact O-N 3.46Å; I213-L216 PolarHBondContact O-N 2.97Å; I213-I217 HydrophobicContact CD1-CD1 4.28Å; I213-I217 HydrophobicContact CD1-CG1 4.27Å; I213-I217 HydrophobicContact CG1-CD1 3.99Å; I213-I217 HydrophobicContact CG1-CG1 4.45Å; I213-I217 VanDerWaalsContact O-CG1 3.27Å; I213-I217 WeakPolarHBondContact O-CG1 3.27Å; I213-I217 PolarHBondContact O-N 3.47Å
214	A	98.9	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-41.9	177.5	0	0	0	0	0	111.6	V210 P211 I217 H218 L230 I233 I374	V210-A214 WeakPolarHBondContact O-CB 3.47Å; V210-A214 PolarHBondContact O-N 2.6Å; P211-A214 PolarHBondContact O-N 3.04Å; A214-I217 PolarHBondContact O-N 3.25Å; A214-H218 WeakPolarHBondContact O-CB 3.38Å; A214-H218 PolarHBondContact O-N 3.29Å; A214-L230 HydrophobicContact CB-CD2 4.09Å; A214-I233 HydrophobicContact CB-CG2 3.65Å; A214-I374 HydrophobicContact CB-CD1 4Å; A214-I374 HydrophobicContact CB-CG1 3.96Å
215	H	98.8	Very high	97.9	Very high	35 Å²	35	35.7 Å²	35.7	16%	0.162	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-45.7	176.5	173.3	-92.7	0	0	0	111	P211 A212 I213 I217 H218 S219 W370 E373 I374	P211-H215 WeakPolarHBondContact O-CB 3.23Å; P211-H215 PolarHBondContact O-N 3.46Å; A212-H215 PolarHBondContact O-N 3.07Å; I213-H215 VanDerWaalsContact C-N 3.33Å; I213-H215 PolarHBondContact O-N 3.46Å; H215-I217 PolarHBondContact O-N 2.73Å; H215-H218 WeakPolarHBondContact O-CB 3.23Å; H215-H218 PolarHBondContact O-N 3.1Å; H215-H218 VanDerWaalsContact O-N 3.13Å; H215-S219 PolarHBondContact O-N 3.03Å; H215-S219 PolarHBondContact O-OG 3.49Å; H215-S219 VanDerWaalsContact O-OG 3.06Å; H215-W370 HydrophobicContact CB-CB 3.9Å; H215-W370 HydrophobicContact CB-CG 4.09Å; H215-W370 AromaticContact CD2-CD1 3.54Å; H215-W370 AromaticContact CE1-CD1 3.56Å; H215-W370 AromaticContact CE1-NE1 3.61Å; H215-W370 AromaticContact CG-CD1 3.6Å; H215-W370 AromaticContact CG-CG 3.79Å; H215-W370 AromaticContact ND1-CD1 3.61Å; H215-W370 AromaticContact ND1-NE1 3.75Å; H215-W370 AromaticContact NE2-CD1 3.5Å; H215-W370 AromaticContact NE2-NE1 3.97Å; H215-E373 IonicContact CD2-OE2 3.22Å; H215-E373 PolarHBondContact CD2-OE2 3.09Å; H215-E373 IonicContact NE2-OE2 3.14Å; H215-E373 PolarHBondContact NE2-OE2 3.19Å; H215-E373 VanDerWaalsContact NE2-OE2 3.14Å; H215-I374 HydrophobicContact CB-CD1 4.43Å
216	L	98.8	Very high	97.5	Very high	45 Å²	45	39.3 Å²	39.3	24%	0.236	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-42	176.9	-175.8	60.4	0	0	0	112.4	A176 Y180 A212 I213 S219 L220	A176-L216 VanDerWaalsContact C-CD2 3.48Å; A176-L216 HydrophobicContact CB-CB 4.18Å; A176-L216 HydrophobicContact CB-CD2 3.88Å; A176-L216 WeakPolarHBondContact O-CD2 3.37Å; Y180-L216 HydrophobicContact CD2-CD2 4.45Å; Y180-L216 HydrophobicContact CD2-CG 4.35Å; Y180-L216 HydrophobicContact CG-CD2 4.16Å; Y180-L216 HydrophobicContact CG-CG 4.49Å; A212-L216 PolarHBondContact O-N 3.17Å; I213-L216 PolarHBondContact O-N 2.97Å; L216-S219 PolarHBondContact O-N 3.3Å; L216-L220 HydrophobicContact CD1-CD1 3.73Å; L216-L220 HydrophobicContact CD1-CG 3.98Å; L216-L220 HydrophobicContact CG-CD1 3.93Å; L216-L220 HydrophobicContact CG-CG 4.46Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 WeakPolarHBondContact O-CG 3.34Å; L216-L220 PolarHBondContact O-N 2.89Å
217	I	98.8	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-46.4	173.4	-67.8	167.2	0	0	0	110.6	Y180 L183 F198 I213 A214 H215 S219 L220 N221 I228 L230	Y180-I217 HydrophobicContact CD2-CG1 3.89Å; Y180-I217 HydrophobicContact CE2-CG1 4.15Å; L183-I217 HydrophobicContact CD1-CD1 4.04Å; F198-I217 HydrophobicContact CE1-CD1 4.04Å; I213-I217 HydrophobicContact CD1-CD1 4.28Å; I213-I217 HydrophobicContact CD1-CG1 4.27Å; I213-I217 HydrophobicContact CG1-CD1 3.99Å; I213-I217 HydrophobicContact CG1-CG1 4.45Å; I213-I217 VanDerWaalsContact O-CG1 3.27Å; I213-I217 WeakPolarHBondContact O-CG1 3.27Å; I213-I217 PolarHBondContact O-N 3.47Å; A214-I217 PolarHBondContact O-N 3.25Å; H215-I217 PolarHBondContact O-N 2.73Å; I217-S219 PolarHBondContact O-N 2.81Å; I217-L220 PolarHBondContact O-N 3.44Å; I217-N221 WeakPolarHBondContact CG2-ND2 3.5Å; I217-N221 VanDerWaalsContact O-CB 3.28Å; I217-N221 WeakPolarHBondContact O-CB 2.98Å; I217-N221 VanDerWaalsContact O-CG 3.25Å; I217-N221 PolarHBondContact O-N 2.96Å; I217-I228 HydrophobicContact CD1-CD1 4.09Å; I217-I228 HydrophobicContact CD1-CG2 4.28Å; I217-I228 HydrophobicContact CG1-CD1 4.08Å; I217-I228 HydrophobicContact CG2-CB 3.97Å; I217-I228 HydrophobicContact CG2-CG2 4.36Å; I217-L230 HydrophobicContact CB-CD2 4.23Å; I217-L230 HydrophobicContact CG2-CB 3.94Å; I217-L230 HydrophobicContact CG2-CD2 4.02Å
218	H	98.6	Very high	97.4	Very high	39 Å²	39	45.1 Å²	45.1	18%	0.181	23%	0.233	C	C	.	.	H	α-helix	trans	-57.8	-46.3	177.9	176.5	67.9	0	0	0	112.1	A214 H215 P222 E373 I374 Y378	A214-H218 WeakPolarHBondContact O-CB 3.38Å; A214-H218 PolarHBondContact O-N 3.29Å; H215-H218 WeakPolarHBondContact O-CB 3.23Å; H215-H218 PolarHBondContact O-N 3.1Å; H215-H218 VanDerWaalsContact O-N 3.13Å; H218-P222 WeakPolarHBondContact O-CD 3.11Å; H218-E373 IonicContact CD2-OE1 3.31Å; H218-E373 PolarHBondContact CD2-OE1 2.76Å; H218-E373 VanDerWaalsContact CD2-OE1 3.31Å; H218-E373 IonicContact NE2-OE1 3.41Å; H218-E373 PolarHBondContact NE2-OE1 2.86Å; H218-I374 HydrophobicContact CB-CD1 4.14Å; H218-Y378 HydrophobicContact CB-CE2 3.89Å; H218-Y378 WeakPolarHBondContact CB-OH 3.42Å; H218-Y378 AromaticContact CG-CE2 3.84Å; H218-Y378 AromaticContact ND1-CE2 3.45Å; H218-Y378 WeakPolarHBondContact ND1-CE2 3.38Å; H218-Y378 AromaticContact ND1-CZ 3.59Å; H218-Y378 PolarHBondContact ND1-OH 3.49Å
219	S	98.4	Very high	97.4	Very high	54 Å²	54	47.3 Å²	47.3	38%	0.378	24%	0.244	S	C	.	.	H	α-helix	trans	-69.6	-32	-179.6	-51.2	0	0	0	0	113.2	H215 L216 I217	H215-S219 PolarHBondContact O-N 3.03Å; H215-S219 PolarHBondContact O-OG 3.49Å; H215-S219 VanDerWaalsContact O-OG 3.06Å; L216-S219 PolarHBondContact O-N 3.3Å; I217-S219 PolarHBondContact O-N 2.81Å
220	L	98.3	Very high	97.4	Very high	40 Å²	40	47.8 Å²	47.8	21%	0.209	25%	0.247	C	C	.	.	H	α-helix	trans	-89.8	-31	-176	-69.2	-177.4	0	0	0	114.1	Y180 L216 I217 P222 V223 K224	Y180-L220 HydrophobicContact CD1-CD1 4.12Å; Y180-L220 HydrophobicContact CD2-CD1 4.18Å; Y180-L220 HydrophobicContact CE1-CD1 3.73Å; Y180-L220 HydrophobicContact CE2-CB 4.23Å; Y180-L220 HydrophobicContact CE2-CD1 3.77Å; Y180-L220 HydrophobicContact CG-CD1 4.34Å; L216-L220 HydrophobicContact CD1-CD1 3.73Å; L216-L220 HydrophobicContact CD1-CG 3.98Å; L216-L220 HydrophobicContact CG-CD1 3.93Å; L216-L220 HydrophobicContact CG-CG 4.46Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 WeakPolarHBondContact O-CG 3.34Å; L216-L220 PolarHBondContact O-N 2.89Å; I217-L220 PolarHBondContact O-N 3.44Å; L220-P222 VanDerWaalsContact C-CD 3.43Å; L220-P222 VanDerWaalsContact C-N 3.3Å; L220-V223 HydrophobicContact CD2-CG2 4.32Å; L220-V223 WeakPolarHBondContact O-CG2 3.08Å; L220-V223 PolarHBondContact O-N 2.66Å; L220-K224 HydrophobicContact CB-CG 4Å; L220-K224 WeakPolarHBondContact O-CB 3.4Å; L220-K224 WeakPolarHBondContact O-CG 3.35Å; L220-K224 PolarHBondContact O-N 3.48Å
221	N	97.9	Very high	97.4	Very high	24 Å²	24	51.4 Å²	51.4	13%	0.128	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-36.4	-179.4	-90.3	-8	0	0	0	114.9	I217 V223 K227 I228	I217-N221 WeakPolarHBondContact CG2-ND2 3.5Å; I217-N221 VanDerWaalsContact O-CB 3.28Å; I217-N221 WeakPolarHBondContact O-CB 2.98Å; I217-N221 VanDerWaalsContact O-CG 3.25Å; I217-N221 PolarHBondContact O-N 2.96Å; N221-V223 VanDerWaalsContact C-N 3.33Å; N221-V223 PolarHBondContact O-N 3.19Å; N221-K227 WeakPolarHBondContact O-CD 3.35Å; N221-K227 WeakPolarHBondContact O-CE 3.44Å; N221-K227 WeakPolarHBondContact OD1-CA 3.34Å; N221-I228 PolarHBondContact ND2-O 3.31Å; N221-I228 PolarHBondContact OD1-N 3.12Å
222	P	97.6	Very high	97.4	Very high	100 Å²	100	51.4 Å²	51.4	65%	0.649	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-24.8	176.1	-24.3	35.5	0	0	0	114.8	H218 L220	H218-P222 WeakPolarHBondContact O-CD 3.11Å; L220-P222 VanDerWaalsContact C-CD 3.43Å; L220-P222 VanDerWaalsContact C-N 3.3Å
223	V	97.1	Very high	97.4	Very high	112 Å²	112	51.3 Å²	51.3	68%	0.679	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-9.3	-170.9	-60.8	0	0	0	0	114.1	L220 N221	L220-V223 HydrophobicContact CD2-CG2 4.32Å; L220-V223 WeakPolarHBondContact O-CG2 3.08Å; L220-V223 PolarHBondContact O-N 2.66Å; N221-V223 VanDerWaalsContact C-N 3.33Å; N221-V223 PolarHBondContact O-N 3.19Å
224	K	94.2	Very high	97.4	Very high	104 Å²	104	51.3 Å²	51.3	45%	0.452	26%	0.262	S	S	.	.			trans	-100.7	144.2	176.5	-65	-64.9	-175.1	176.8	0	111.4	L220	L220-K224 HydrophobicContact CB-CG 4Å; L220-K224 WeakPolarHBondContact O-CB 3.4Å; L220-K224 WeakPolarHBondContact O-CG 3.35Å; L220-K224 PolarHBondContact O-N 3.48Å
225	E	90.6	Very high	97.4	Very high	188 Å²	188	51.3 Å²	51.3	88%	0.879	26%	0.262	S	S	*	.	S	Bend	trans	-69.9	-46.9	172.6	-65.3	-177.3	170.6	0	0	110.9	K227	E225-K227 PolarHBondContact O-N 2.9Å
226	E	90	Very high	97.4	Very high	83 Å²	83	49.7 Å²	49.7	39%	0.388	25%	0.254	S	S	.	.	S	Bend	trans	-77.6	108.3	172.1	-66.7	-61.6	152.8	0	0	109.4	I184 K194	I184-E226 HydrophobicContact CD1-CB 4.35Å; K194-E226 VanDerWaalsContact CE-OE2 3.25Å; K194-E226 WeakPolarHBondContact CE-OE2 3.47Å; K194-E226 IonicContact NZ-OE1 3.42Å; K194-E226 PolarHBondContact NZ-OE1 3.28Å; K194-E226 IonicContact NZ-OE2 2.61Å; K194-E226 PolarHBondContact NZ-OE2 2.89Å
227	K	95.9	Very high	97.3	Very high	118 Å²	118	47.5 Å²	47.5	51%	0.513	24%	0.243	S	C	.	.			trans	-106.2	147.3	180	-59.1	-175.1	-174.3	-171.8	0	110.4	N221 E225	N221-K227 WeakPolarHBondContact O-CD 3.35Å; N221-K227 WeakPolarHBondContact O-CE 3.44Å; N221-K227 WeakPolarHBondContact OD1-CA 3.34Å; E225-K227 PolarHBondContact O-N 2.9Å
228	I	98.3	Very high	97.3	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.015	25%	0.245	C	C	.	.			trans	-101.9	126	169.3	-63.7	171.5	0	0	0	107.6	Y180 L183 I184 F187 F198 I217 N221 L230	Y180-I228 HydrophobicContact CD2-CD1 4.45Å; Y180-I228 HydrophobicContact CE2-CD1 4.24Å; L183-I228 HydrophobicContact CB-CD1 3.83Å; L183-I228 HydrophobicContact CD1-CD1 4.35Å; I184-I228 HydrophobicContact CD1-CD1 4.1Å; I184-I228 HydrophobicContact CD1-CG1 4.22Å; F187-I228 HydrophobicContact CD2-CD1 4.48Å; F187-I228 HydrophobicContact CD2-CG1 4.08Å; F187-I228 HydrophobicContact CE2-CD1 4.37Å; F187-I228 HydrophobicContact CE2-CG1 4.04Å; F187-I228 HydrophobicContact CE2-CG2 3.89Å; F187-I228 HydrophobicContact CZ-CG2 4.45Å; F198-I228 HydrophobicContact CB-CG2 4.11Å; F198-I228 HydrophobicContact CD1-CG2 3.31Å; F198-I228 HydrophobicContact CE1-CG2 3.85Å; F198-I228 HydrophobicContact CG-CG2 3.83Å; I217-I228 HydrophobicContact CD1-CD1 4.09Å; I217-I228 HydrophobicContact CD1-CG2 4.28Å; I217-I228 HydrophobicContact CG1-CD1 4.08Å; I217-I228 HydrophobicContact CG2-CB 3.97Å; I217-I228 HydrophobicContact CG2-CG2 4.36Å; N221-I228 PolarHBondContact ND2-O 3.31Å; N221-I228 PolarHBondContact OD1-N 3.12Å; I228-L230 PolarHBondContact O-N 2.83Å
229	N	98.3	Very high	97.3	Very high	46 Å²	46	46.5 Å²	46.5	25%	0.246	24%	0.239	C	C	.	.			trans	-75.1	57.9	-177.7	-175	27.7	0	0	0	112.5	D195 N196 D197 F198 K231	D195-N229 PolarHBondContact O-ND2 3.27Å; N196-N229 WeakPolarHBondContact O-CB 3.35Å; N196-N229 PolarHBondContact O-ND2 3.08Å; N196-N229 VanDerWaalsContact O-ND2 3.11Å; D197-N229 PolarHBondContact OD1-ND2 3.25Å; F198-N229 WeakPolarHBondContact CB-O 3.29Å; F198-N229 PolarHBondContact N-O 2.93Å; N229-K231 PolarHBondContact O-N 2.85Å; N229-K231 WeakPolarHBondContact OD1-CE 3.48Å; N229-K231 PolarHBondContact OD1-NZ 3.18Å
230	L	98.9	Very high	97.2	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.052	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	122.4	-179.3	-179.5	65.4	0	0	0	110.7	F198 V200 A214 I217 I228 Y378	F198-L230 HydrophobicContact CD1-CD1 4.09Å; F198-L230 WeakPolarHBondContact O-CA 3.27Å; V200-L230 HydrophobicContact CG2-CD1 4Å; A214-L230 HydrophobicContact CB-CD2 4.09Å; I217-L230 HydrophobicContact CB-CD2 4.23Å; I217-L230 HydrophobicContact CG2-CB 3.94Å; I217-L230 HydrophobicContact CG2-CD2 4.02Å; I228-L230 PolarHBondContact O-N 2.83Å; L230-Y378 HydrophobicContact CB-CE1 4.15Å; L230-Y378 HydrophobicContact CD2-CD1 4.38Å; L230-Y378 HydrophobicContact CD2-CE1 3.99Å; L230-Y378 HydrophobicContact CD2-CE2 4.17Å; L230-Y378 HydrophobicContact CG-CD1 4.14Å; L230-Y378 HydrophobicContact CG-CE1 3.94Å; L230-Y378 VanDerWaalsContact O-CE1 3.27Å; L230-Y378 WeakPolarHBondContact O-CE1 3.43Å
231	K	98.8	Very high	97.1	Very high	77 Å²	77	42.5 Å²	42.5	34%	0.335	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-24.2	177.6	-63.7	-46.2	-164.9	-165.9	0	114	D197 F198 Y199 N229 K379	D197-K231 HydrophobicContact CB-CG 3.63Å; D197-K231 VanDerWaalsContact CG-CG 3.45Å; D197-K231 WeakPolarHBondContact OD1-CE 3.48Å; D197-K231 IonicContact OD1-NZ 3.89Å; F198-K231 PolarHBondContact O-N 2.86Å; Y199-K231 HydrophobicContact CD2-CB 4.48Å; Y199-K231 HydrophobicContact CE1-CB 3.89Å; Y199-K231 HydrophobicContact CE2-CB 3.86Å; Y199-K231 HydrophobicContact CE2-CG 4.46Å; N229-K231 PolarHBondContact O-N 2.85Å; N229-K231 WeakPolarHBondContact OD1-CE 3.48Å; N229-K231 PolarHBondContact OD1-NZ 3.18Å; K231-K379 PolarHBondContact O-N 2.89Å
232	G	98.9	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.5	-179.2	179.6	0	0	0	0	0	114.5	Y199 V200 K379	Y199-G232 WeakPolarHBondContact CA-O 3.25Å; Y199-G232 WeakPolarHBondContact CD1-O 3.21Å; V200-G232 PolarHBondContact N-O 3Å; G232-K379 CarbonylContact C-O 3.43Å; G232-K379 WeakPolarHBondContact CA-O 3.39Å
233	I	98.9	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.9	178.1	61.3	164.4	0	0	0	111.7	V200 V210 A214 I235 L371 I374 K379 V380 L381 F465	V200-I233 HydrophobicContact CB-CG2 4.11Å; V200-I233 CarbonylContact O-C 3.52Å; V200-I233 WeakPolarHBondContact O-CA 3.35Å; V200-I233 WeakPolarHBondContact O-CB 3.46Å; V210-I233 HydrophobicContact CG1-CB 3.66Å; V210-I233 HydrophobicContact CG1-CD1 4.21Å; V210-I233 HydrophobicContact CG1-CG2 3.81Å; A214-I233 HydrophobicContact CB-CG2 3.65Å; I233-I235 HydrophobicContact CD1-CD1 3.96Å; I233-I235 HydrophobicContact CD1-CG1 4.44Å; I233-L371 HydrophobicContact CD1-CD1 3.77Å; I233-I374 HydrophobicContact CD1-CB 4.43Å; I233-I374 HydrophobicContact CD1-CG2 3.59Å; I233-I374 HydrophobicContact CG1-CG2 3.82Å; I233-I374 HydrophobicContact CG2-CG2 4.27Å; I233-K379 PolarHBondContact N-O 3.1Å; I233-V380 HydrophobicContact CD1-CG1 4.15Å; I233-V380 HydrophobicContact CD1-CG2 4.16Å; I233-V380 HydrophobicContact CG1-CB 4.22Å; I233-V380 HydrophobicContact CG1-CG1 4.04Å; I233-V380 HydrophobicContact CG1-CG2 3.78Å; I233-V380 WeakPolarHBondContact O-CA 3.45Å; I233-L381 PolarHBondContact O-N 3.25Å; I233-F465 VanDerWaalsContact O-CZ 3.23Å; I233-F465 WeakPolarHBondContact O-CZ 3.32Å
234	A	98.9	Very high	97	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.2	168.5	0	0	0	0	0	110.6	V200 T201 G202 L381 Y383 I462 F465	V200-A234 PolarHBondContact O-N 2.69Å; V200-A234 VanDerWaalsContact O-N 3.07Å; T201-A234 WeakPolarHBondContact CA-O 3.36Å; T201-A234 HydrophobicContact CG2-CB 3.69Å; G202-A234 PolarHBondContact N-O 3.2Å; G202-A234 VanDerWaalsContact N-O 3.16Å; A234-L381 CarbonylContact C-O 3.49Å; A234-L381 VanDerWaalsContact CA-O 3.27Å; A234-L381 WeakPolarHBondContact CA-O 3.48Å; A234-L381 HydrophobicContact CB-CB 3.92Å; A234-L381 HydrophobicContact CB-CD2 4.03Å; A234-L381 HydrophobicContact CB-CG 4.31Å; A234-Y383 HydrophobicContact CB-CE1 4.32Å; A234-I462 HydrophobicContact CB-CD1 4.1Å; A234-F465 HydrophobicContact CB-CD1 4.38Å; A234-F465 HydrophobicContact CB-CE1 4.12Å
235	I	98.9	Very high	97.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117.1	-176	-54.6	175.6	0	0	0	108.8	G202 V210 P211 I233 L371 L381 M382 Y383	G202-I235 WeakPolarHBondContact O-CA 3.29Å; V210-I235 HydrophobicContact CB-CD1 4.23Å; V210-I235 HydrophobicContact CB-CG1 4.05Å; V210-I235 HydrophobicContact CG1-CD1 4.07Å; V210-I235 HydrophobicContact CG1-CG1 3.76Å; P211-I235 HydrophobicContact CG-CD1 3.84Å; I233-I235 HydrophobicContact CD1-CD1 3.96Å; I233-I235 HydrophobicContact CD1-CG1 4.44Å; I235-L371 HydrophobicContact CD1-CD1 4.24Å; I235-L381 PolarHBondContact N-O 3.34Å; I235-M382 HydrophobicContact CB-CE 4.18Å; I235-M382 HydrophobicContact CB-SD 3.8Å; I235-M382 HydrophobicContact CD1-SD 3.9Å; I235-M382 HydrophobicContact CG1-SD 4.22Å; I235-M382 HydrophobicContact CG2-CE 4.25Å; I235-M382 HydrophobicContact CG2-SD 4.49Å; I235-Y383 WeakPolarHBondContact O-CD1 3.42Å; I235-Y383 PolarHBondContact O-N 2.89Å
236	G	98.7	Very high	97.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.2	173.7	0	0	0	0	0	111.8	G202 E203 S204 G238 Y383	G202-G236 PolarHBondContact O-N 2.79Å; E203-G236 CarbonylContact C-O 3.4Å; E203-G236 WeakPolarHBondContact CA-O 3.21Å; E203-G236 WeakPolarHBondContact CB-O 2.97Å; S204-G236 PolarHBondContact N-O 3.48Å; G236-G238 PolarHBondContact O-N 3.27Å; G236-Y383 CarbonylContact C-O 3.53Å; G236-Y383 WeakPolarHBondContact CA-O 3.19Å; G236-Y383 VanDerWaalsContact N-CE1 3.34Å
237	D	98.5	Very high	97.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	45.9	46.3	171.8	-61.9	-102.3	0	0	0	111.6	S204 Y383 N384 G385 D388 V391 H448	S204-D237 VanDerWaalsContact CA-O 3.29Å; S204-D237 WeakPolarHBondContact CA-O 3.36Å; S204-D237 PolarHBondContact N-O 2.99Å; D237-Y383 PolarHBondContact N-O 3.13Å; D237-N384 VanDerWaalsContact OD2-CA 3.27Å; D237-N384 WeakPolarHBondContact OD2-CA 3.4Å; D237-G385 PolarHBondContact OD1-N 3.28Å; D237-G385 PolarHBondContact OD2-N 3.37Å; D237-D388 WeakPolarHBondContact OD1-CB 3.38Å; D237-V391 HydrophobicContact CB-CB 4.39Å; D237-V391 WeakPolarHBondContact O-CB 3.47Å; D237-V391 WeakPolarHBondContact O-CG1 3.48Å; D237-V391 VanDerWaalsContact O-CG2 3.29Å; D237-V391 WeakPolarHBondContact O-CG2 3.4Å; D237-H448 WeakPolarHBondContact CB-ND1 3.44Å
238	G	97.7	Very high	98	Very high	3 Å²	3	14 Å²	14	3%	0.031	8%	0.08	C	C	.	.			trans	-88.6	124.2	-159.9	0	0	0	0	0	115.8	S204 G236 S240 V391	S204-G238 WeakPolarHBondContact O-CA 3.44Å; G236-G238 PolarHBondContact O-N 3.27Å; G238-S240 PolarHBondContact O-N 3.39Å; G238-V391 WeakPolarHBondContact O-CG1 3.27Å
239	Y	97.8	Very high	98	Very high	14 Å²	14	14 Å²	14	6%	0.055	8%	0.08	C	C	.	.			trans	-87.9	85.3	179.9	-166.6	-103.6	0	0	0	112	S204 K208 P242 I245 T363 V391	S204-Y239 PolarHBondContact O-N 2.89Å; K208-Y239 WeakPolarHBondContact CG-O 3.39Å; Y239-P242 HydrophobicContact CD1-CG 4.43Å; Y239-P242 HydrophobicContact CE1-CB 4.11Å; Y239-P242 HydrophobicContact CE1-CG 3.64Å; Y239-P242 WeakPolarHBondContact OH-CB 3.49Å; Y239-I245 HydrophobicContact CD2-CD1 3.63Å; Y239-I245 HydrophobicContact CD2-CG2 4.03Å; Y239-I245 HydrophobicContact CE2-CB 4.11Å; Y239-I245 HydrophobicContact CE2-CD1 3.99Å; Y239-I245 HydrophobicContact CE2-CG2 3.67Å; Y239-I245 HydrophobicContact CG-CD1 4.31Å; Y239-T363 HydrophobicContact CE1-CG2 4.35Å; Y239-T363 VanDerWaalsContact CE1-O 3.27Å; Y239-T363 WeakPolarHBondContact CE1-O 3.27Å; Y239-V391 HydrophobicContact CD2-CG2 4.24Å
240	S	96.3	Very high	98	Very high	4 Å²	4	12.1 Å²	12.1	3%	0.028	7%	0.071	C	C	.	.			trans	-110.5	-23.7	-172.8	-51.5	0	0	0	0	115.6	G207 G238 V367	G207-S240 WeakPolarHBondContact O-CB 3.33Å; G207-S240 PolarHBondContact O-OG 3.21Å; G238-S240 PolarHBondContact O-N 3.39Å; S240-V367 WeakPolarHBondContact O-CG2 3.49Å; S240-V367 PolarHBondContact O-N 3.25Å; S240-V367 VanDerWaalsContact O-N 3.16Å
241	D	96.9	Very high	98	Very high	7 Å²	7	13.8 Å²	13.8	4%	0.037	9%	0.086	C	C	.	.			trans	-136.1	78.8	-172.5	-175.9	21.2	0	0	0	111.1	E243 S244 I245 S366 K368 S399	D241-E243 PolarHBondContact O-N 3.49Å; D241-S244 PolarHBondContact O-N 3.5Å; D241-S244 WeakPolarHBondContact OD2-CB 3.34Å; D241-S244 PolarHBondContact OD2-OG 3.31Å; D241-I245 WeakPolarHBondContact O-CG1 3.36Å; D241-I245 PolarHBondContact O-N 3.07Å; D241-I245 VanDerWaalsContact O-N 3.11Å; D241-S366 PolarHBondContact OD1-OG 3.21Å; D241-K368 IonicContact OD2-NZ 3.97Å; D241-S399 WeakPolarHBondContact CB-OG 3.4Å; D241-S399 PolarHBondContact OD2-OG 3.39Å
242	P	97	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-52.8	-46.1	-171.3	-32	38.9	0	0	0	114.2	Y239 S244 I245 I246 I278 Q365	Y239-P242 HydrophobicContact CD1-CG 4.43Å; Y239-P242 HydrophobicContact CE1-CB 4.11Å; Y239-P242 HydrophobicContact CE1-CG 3.64Å; Y239-P242 WeakPolarHBondContact OH-CB 3.49Å; P242-S244 VanDerWaalsContact C-N 3.34Å; P242-S244 PolarHBondContact O-N 2.85Å; P242-I245 PolarHBondContact O-N 2.86Å; P242-I246 HydrophobicContact CB-CD1 4.03Å; P242-I246 VanDerWaalsContact O-CB 3.22Å; P242-I246 WeakPolarHBondContact O-CB 3.38Å; P242-I246 WeakPolarHBondContact O-CD1 3.46Å; P242-I246 WeakPolarHBondContact O-CG1 3.38Å; P242-I246 PolarHBondContact O-N 3.07Å; P242-I278 HydrophobicContact CB-CD1 4.34Å; P242-Q365 WeakPolarHBondContact CG-O 3.49Å
243	E	97.1	Very high	97.9	Very high	66 Å²	66	11 Å²	11	31%	0.308	7%	0.074	S	C	.	.	H	α-helix	trans	-58.2	-45.3	-178.3	-72.3	-166.9	-127.8	0	0	112.5	D241 G247 I275 I278 R279	D241-E243 PolarHBondContact O-N 3.49Å; E243-G247 PolarHBondContact O-N 3.49Å; E243-G247 VanDerWaalsContact O-N 3.13Å; E243-I275 HydrophobicContact CG-CG2 4.37Å; E243-I278 HydrophobicContact CG-CB 4.4Å; E243-I278 HydrophobicContact CG-CD1 4.4Å; E243-I278 HydrophobicContact CG-CG2 3.63Å; E243-R279 IonicContact OE2-CZ 3.83Å; E243-R279 IonicContact OE2-NE 3.72Å; E243-R279 PolarHBondContact OE2-NE 3.06Å; E243-R279 IonicContact OE2-NH2 3.94Å
244	S	97.2	Very high	97.9	Very high	23 Å²	23	15 Å²	15	16%	0.161	9%	0.09	C	C	.	.	H	α-helix	trans	-67.3	-45	179.8	-64.9	0	0	0	0	111.5	D241 P242 R398	D241-S244 PolarHBondContact O-N 3.5Å; D241-S244 WeakPolarHBondContact OD2-CB 3.34Å; D241-S244 PolarHBondContact OD2-OG 3.31Å; P242-S244 VanDerWaalsContact C-N 3.34Å; P242-S244 PolarHBondContact O-N 2.85Å; S244-R398 WeakPolarHBondContact O-CD 3.41Å; S244-R398 PolarHBondContact O-NE 2.79Å
245	I	97.6	Very high	97.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-65.3	-52.6	-178.2	-67	169.5	0	0	0	110.2	Y239 D241 P242 G247 G248 Y249 V391 L395	Y239-I245 HydrophobicContact CD2-CD1 3.63Å; Y239-I245 HydrophobicContact CD2-CG2 4.03Å; Y239-I245 HydrophobicContact CE2-CB 4.11Å; Y239-I245 HydrophobicContact CE2-CD1 3.99Å; Y239-I245 HydrophobicContact CE2-CG2 3.67Å; Y239-I245 HydrophobicContact CG-CD1 4.31Å; D241-I245 WeakPolarHBondContact O-CG1 3.36Å; D241-I245 PolarHBondContact O-N 3.07Å; D241-I245 VanDerWaalsContact O-N 3.11Å; P242-I245 PolarHBondContact O-N 2.86Å; I245-G247 VanDerWaalsContact C-N 3.25Å; I245-G247 PolarHBondContact O-N 3.4Å; I245-G248 PolarHBondContact O-N 2.65Å; I245-Y249 HydrophobicContact CG2-CE2 4.2Å; I245-V391 HydrophobicContact CD1-CG1 4.44Å; I245-L395 HydrophobicContact CG1-CB 4.49Å; I245-L395 HydrophobicContact CG2-CB 4.08Å; I245-L395 HydrophobicContact CG2-CD1 4Å
246	I	98.2	Very high	97.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-57.3	-41.2	179.7	-66.9	164.3	0	0	0	110.9	P242 G248 Y249 C271 C274 I275 I278 L290	P242-I246 HydrophobicContact CB-CD1 4.03Å; P242-I246 VanDerWaalsContact O-CB 3.22Å; P242-I246 WeakPolarHBondContact O-CB 3.38Å; P242-I246 WeakPolarHBondContact O-CD1 3.46Å; P242-I246 WeakPolarHBondContact O-CG1 3.38Å; P242-I246 PolarHBondContact O-N 3.07Å; I246-G248 PolarHBondContact O-N 2.99Å; I246-Y249 HydrophobicContact CB-CD2 4.47Å; I246-Y249 HydrophobicContact CB-CE2 4.46Å; I246-Y249 HydrophobicContact CG1-CE2 4.12Å; I246-Y249 PolarHBondContact O-N 2.91Å; I246-C271 HydrophobicContact CG2-CB 3.79Å; I246-C271 PolarHBondContact O-SG 2.79Å; I246-C271 VanDerWaalsContact O-SG 3.35Å; I246-C274 HydrophobicContact CG2-CB 4.39Å; I246-I275 HydrophobicContact CB-CD1 4.4Å; I246-I275 HydrophobicContact CB-CG1 4.32Å; I246-I275 HydrophobicContact CG2-CD1 4.13Å; I246-I275 HydrophobicContact CG2-CG1 3.99Å; I246-I278 HydrophobicContact CD1-CD1 3.72Å; I246-L290 HydrophobicContact CD1-CD1 4.46Å; I246-L290 HydrophobicContact CD1-CD2 4.23Å; I246-L290 HydrophobicContact CG1-CD1 4.11Å; I246-L290 HydrophobicContact CG1-CD2 4.49Å
247	G	97.6	Very high	97.6	Very high	32 Å²	32	28.1 Å²	28.1	33%	0.33	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.8	178.6	0	0	0	0	0	114.8	E243 I245	E243-G247 PolarHBondContact O-N 3.49Å; E243-G247 VanDerWaalsContact O-N 3.13Å; I245-G247 VanDerWaalsContact C-N 3.25Å; I245-G247 PolarHBondContact O-N 3.4Å
248	G	97.8	Very high	97.5	Very high	7 Å²	7	30.6 Å²	30.6	7%	0.072	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-20.9	-179.4	0	0	0	0	0	115.7	I245 I246 A250 A251 F252	I245-G248 PolarHBondContact O-N 2.65Å; I246-G248 PolarHBondContact O-N 2.99Å; G248-A250 PolarHBondContact O-N 2.99Å; G248-A251 PolarHBondContact O-N 3.07Å; G248-F252 PolarHBondContact O-N 2.91Å; G248-F252 VanDerWaalsContact O-N 3.09Å
249	Y	98.1	Very high	97.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-54.5	-50.2	-169.9	-77.6	-57.8	0	0	0	113.8	I245 I246 A251 F252 L253 L290 L294 I390 L395	I245-Y249 HydrophobicContact CG2-CE2 4.2Å; I246-Y249 HydrophobicContact CB-CD2 4.47Å; I246-Y249 HydrophobicContact CB-CE2 4.46Å; I246-Y249 HydrophobicContact CG1-CE2 4.12Å; I246-Y249 PolarHBondContact O-N 2.91Å; Y249-A251 VanDerWaalsContact C-N 3.3Å; Y249-A251 PolarHBondContact O-N 2.89Å; Y249-F252 PolarHBondContact O-N 2.88Å; Y249-L253 WeakPolarHBondContact O-CB 3.13Å; Y249-L253 WeakPolarHBondContact O-CG 3.37Å; Y249-L253 PolarHBondContact O-N 3.45Å; Y249-L290 HydrophobicContact CE2-CD1 4.09Å; Y249-L294 HydrophobicContact CD1-CD1 4.22Å; Y249-L294 HydrophobicContact CD2-CD1 3.96Å; Y249-L294 HydrophobicContact CE1-CD1 3.81Å; Y249-L294 HydrophobicContact CE2-CD1 3.51Å; Y249-L294 HydrophobicContact CG-CD1 4.31Å; Y249-L294 VanDerWaalsContact CZ-CD1 3.42Å; Y249-I390 WeakPolarHBondContact CE1-O 3.48Å; Y249-I390 PolarHBondContact OH-O 2.95Å; Y249-L395 HydrophobicContact CD1-CD1 3.47Å; Y249-L395 VanDerWaalsContact CD1-CD1 3.47Å; Y249-L395 HydrophobicContact CE1-CD1 3.28Å; Y249-L395 HydrophobicContact CG-CD1 4.34Å
250	A	98.1	Very high	97.5	Very high	7 Å²	7	33.9 Å²	33.9	6%	0.058	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-42.4	-175.4	0	0	0	0	0	112.6	G248 Y254 K264 F267 Q268	G248-A250 PolarHBondContact O-N 2.99Å; A250-Y254 WeakPolarHBondContact O-CB 3.17Å; A250-Y254 PolarHBondContact O-N 2.95Å; A250-K264 HydrophobicContact CB-CG 4.47Å; A250-F267 HydrophobicContact CB-CB 3.83Å; A250-Q268 HydrophobicContact CB-CB 3.79Å
251	A	98.3	Very high	97.6	Very high	45 Å²	45	37.7 Å²	37.7	37%	0.372	22%	0.218	S	C	.	.	H	α-helix	trans	-71.5	-44	179.4	0	0	0	0	0	111.4	G248 Y249 Q255	G248-A251 PolarHBondContact O-N 3.07Å; Y249-A251 VanDerWaalsContact C-N 3.3Å; Y249-A251 PolarHBondContact O-N 2.89Å; A251-Q255 WeakPolarHBondContact O-CB 3.37Å; A251-Q255 VanDerWaalsContact O-CG 3.24Å; A251-Q255 WeakPolarHBondContact O-CG 3.13Å; A251-Q255 PolarHBondContact O-N 3.27Å
252	F	98.2	Very high	97.7	Very high	20 Å²	20	45.6 Å²	45.6	9%	0.088	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-55.8	179.6	168.7	-109.4	0	0	0	111.7	G248 Y249 Y254 Q255 I256 I389 A392 A394 L395	G248-F252 PolarHBondContact O-N 2.91Å; G248-F252 VanDerWaalsContact O-N 3.09Å; Y249-F252 PolarHBondContact O-N 2.88Å; F252-Y254 VanDerWaalsContact C-N 3.26Å; F252-Y254 PolarHBondContact O-N 2.98Å; F252-Q255 PolarHBondContact O-N 2.94Å; F252-I256 HydrophobicContact CD2-CG2 4.25Å; F252-I256 HydrophobicContact CE1-CD1 3.83Å; F252-I256 HydrophobicContact CE2-CD1 4.34Å; F252-I256 HydrophobicContact CE2-CG2 3.77Å; F252-I256 HydrophobicContact CZ-CD1 3.72Å; F252-I256 HydrophobicContact CZ-CG2 4.21Å; F252-I256 WeakPolarHBondContact O-CG1 3.26Å; F252-I256 PolarHBondContact O-N 3.04Å; F252-I256 VanDerWaalsContact O-N 3.09Å; F252-I389 HydrophobicContact CE1-CB 4.41Å; F252-I389 HydrophobicContact CE1-CG1 4.45Å; F252-I389 HydrophobicContact CE1-CG2 4.26Å; F252-A392 HydrophobicContact CD1-CB 4.06Å; F252-A392 HydrophobicContact CD2-CB 4.26Å; F252-A392 HydrophobicContact CE1-CB 3.55Å; F252-A392 HydrophobicContact CE2-CB 3.77Å; F252-A392 HydrophobicContact CG-CB 4.39Å; F252-A392 HydrophobicContact CZ-CB 3.37Å; F252-A394 HydrophobicContact CD2-CB 4.12Å; F252-L395 HydrophobicContact CB-CD2 4.16Å
253	L	97.9	Very high	97.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.9	-35.9	-177.8	-70.2	173.8	0	0	0	112.5	Y249 I256 G257 L258 L259 F267 F305 I389	Y249-L253 WeakPolarHBondContact O-CB 3.13Å; Y249-L253 WeakPolarHBondContact O-CG 3.37Å; Y249-L253 PolarHBondContact O-N 3.45Å; L253-I256 HydrophobicContact CD2-CD1 4.49Å; L253-I256 WeakPolarHBondContact O-CG1 3.32Å; L253-G257 PolarHBondContact O-N 2.69Å; L253-L258 HydrophobicContact CD2-CD1 3.94Å; L253-L258 PolarHBondContact O-N 3.32Å; L253-L259 HydrophobicContact CB-CD1 3.46Å; L253-L259 VanDerWaalsContact CB-CD1 3.46Å; L253-L259 HydrophobicContact CB-CG 3.7Å; L253-L259 HydrophobicContact CD1-CD1 3.93Å; L253-L259 HydrophobicContact CG-CD1 4.36Å; L253-L259 PolarHBondContact O-N 2.89Å; L253-F267 HydrophobicContact CD1-CD1 4.01Å; L253-F267 HydrophobicContact CD1-CD2 4.48Å; L253-F267 HydrophobicContact CD1-CE1 3.47Å; L253-F267 VanDerWaalsContact CD1-CE1 3.47Å; L253-F267 HydrophobicContact CD1-CE2 3.98Å; L253-F267 HydrophobicContact CD1-CG 4.49Å; L253-F267 HydrophobicContact CD1-CZ 3.47Å; L253-F267 VanDerWaalsContact CD1-CZ 3.47Å; L253-F305 HydrophobicContact CD1-CD2 4.42Å; L253-F305 HydrophobicContact CD2-CD2 4.37Å; L253-F305 HydrophobicContact CD2-CE2 3.99Å; L253-I389 HydrophobicContact CD2-CG2 3.57Å
254	Y	98.3	Very high	97.8	Very high	84 Å²	84	46.7 Å²	46.7	33%	0.329	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-45.7	171.7	172.1	-95.2	0	0	0	112.4	A250 F252 I256 G257 L259 E261 K264	A250-Y254 WeakPolarHBondContact O-CB 3.17Å; A250-Y254 PolarHBondContact O-N 2.95Å; F252-Y254 VanDerWaalsContact C-N 3.26Å; F252-Y254 PolarHBondContact O-N 2.98Å; Y254-I256 VanDerWaalsContact C-N 3.28Å; Y254-I256 PolarHBondContact O-N 2.95Å; Y254-G257 PolarHBondContact O-N 2.82Å; Y254-L259 WeakPolarHBondContact CD2-O 3.39Å; Y254-E261 HydrophobicContact CE2-CG 4.14Å; Y254-E261 WeakPolarHBondContact CE2-OE1 3.33Å; Y254-E261 PolarHBondContact OH-OE1 2.98Å; Y254-K264 HydrophobicContact CD1-CD 4.17Å; Y254-K264 HydrophobicContact CD2-CB 4.22Å; Y254-K264 HydrophobicContact CD2-CD 3.71Å; Y254-K264 HydrophobicContact CD2-CG 4.46Å; Y254-K264 HydrophobicContact CE2-CD 4.26Å; Y254-K264 HydrophobicContact CG-CD 3.64Å; Y254-K264 HydrophobicContact CG-CG 4.38Å
255	Q	97.8	Very high	97.9	Very high	150 Å²	150	52 Å²	52	70%	0.701	28%	0.276	S	S	*	.	H	α-helix	trans	-65.8	-29.5	-176.7	-78.1	173.9	-20.5	0	0	113.3	A251 F252 G257	A251-Q255 WeakPolarHBondContact O-CB 3.37Å; A251-Q255 VanDerWaalsContact O-CG 3.24Å; A251-Q255 WeakPolarHBondContact O-CG 3.13Å; A251-Q255 PolarHBondContact O-N 3.27Å; F252-Q255 PolarHBondContact O-N 2.94Å; Q255-G257 VanDerWaalsContact C-N 3.29Å
256	I	96.3	Very high	97.9	Very high	61 Å²	61	56.5 Å²	56.5	31%	0.313	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.4	174.3	65.2	165.8	0	0	0	113.2	F252 L253 Y254 L258 F317 I389	F252-I256 HydrophobicContact CD2-CG2 4.25Å; F252-I256 HydrophobicContact CE1-CD1 3.83Å; F252-I256 HydrophobicContact CE2-CD1 4.34Å; F252-I256 HydrophobicContact CE2-CG2 3.77Å; F252-I256 HydrophobicContact CZ-CD1 3.72Å; F252-I256 HydrophobicContact CZ-CG2 4.21Å; F252-I256 WeakPolarHBondContact O-CG1 3.26Å; F252-I256 PolarHBondContact O-N 3.04Å; F252-I256 VanDerWaalsContact O-N 3.09Å; L253-I256 HydrophobicContact CD2-CD1 4.49Å; L253-I256 WeakPolarHBondContact O-CG1 3.32Å; Y254-I256 VanDerWaalsContact C-N 3.28Å; Y254-I256 PolarHBondContact O-N 2.95Å; I256-L258 HydrophobicContact CD1-CD1 3.58Å; I256-L258 HydrophobicContact CD1-CG 3.94Å; I256-L258 HydrophobicContact CG1-CD1 4.2Å; I256-L258 HydrophobicContact CG1-CG 4.04Å; I256-F317 HydrophobicContact CD1-CD1 4.17Å; I256-I389 HydrophobicContact CD1-CG1 4.5Å
257	G	96.5	Very high	97.9	Very high	64 Å²	64	56.4 Å²	56.4	66%	0.66	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	12.3	172.6	0	0	0	0	0	115.7	L253 Y254 Q255	L253-G257 PolarHBondContact O-N 2.69Å; Y254-G257 PolarHBondContact O-N 2.82Å; Q255-G257 VanDerWaalsContact C-N 3.29Å
258	L	96.6	Very high	98	Very high	51 Å²	51	60.4 Å²	60.4	27%	0.267	30%	0.304	S	S	.	.	S	Bend	trans	-82.6	-21.5	178	-67.1	-177	0	0	0	113.3	L253 I256 F305 T309 I389	L253-L258 HydrophobicContact CD2-CD1 3.94Å; L253-L258 PolarHBondContact O-N 3.32Å; I256-L258 HydrophobicContact CD1-CD1 3.58Å; I256-L258 HydrophobicContact CD1-CG 3.94Å; I256-L258 HydrophobicContact CG1-CD1 4.2Å; I256-L258 HydrophobicContact CG1-CG 4.04Å; L258-F305 HydrophobicContact CD1-CE2 4.11Å; L258-F305 HydrophobicContact CD1-CZ 4.48Å; L258-T309 HydrophobicContact CB-CG2 4.11Å; L258-T309 HydrophobicContact CD2-CG2 4.45Å; L258-I389 HydrophobicContact CD1-CD1 3.93Å; L258-I389 HydrophobicContact CD1-CG1 4.43Å
259	L	98	Very high	98	Very high	9 Å²	9	66.5 Å²	66.5	5%	0.047	33%	0.328	C	S	.	.			trans	-123.7	142	178.4	-55.4	178.1	0	0	0	111.9	L253 Y254 Q263 F267 V308	L253-L259 HydrophobicContact CB-CD1 3.46Å; L253-L259 VanDerWaalsContact CB-CD1 3.46Å; L253-L259 HydrophobicContact CB-CG 3.7Å; L253-L259 HydrophobicContact CD1-CD1 3.93Å; L253-L259 HydrophobicContact CG-CD1 4.36Å; L253-L259 PolarHBondContact O-N 2.89Å; Y254-L259 WeakPolarHBondContact CD2-O 3.39Å; L259-Q263 HydrophobicContact CB-CB 4.01Å; L259-Q263 HydrophobicContact CD2-CB 3.98Å; L259-Q263 HydrophobicContact CG-CB 4.45Å; L259-F267 HydrophobicContact CD1-CB 4.15Å; L259-F267 HydrophobicContact CD1-CD2 3.46Å; L259-F267 VanDerWaalsContact CD1-CD2 3.46Å; L259-F267 HydrophobicContact CD1-CE2 3.96Å; L259-F267 HydrophobicContact CD1-CG 3.84Å; L259-F267 HydrophobicContact CD2-CD2 4.05Å; L259-F267 HydrophobicContact CD2-CE2 3.98Å; L259-F267 HydrophobicContact CG-CD2 4.44Å; L259-V308 HydrophobicContact CD2-CG2 3.56Å
260	D	98.1	Very high	98	Very high	77 Å²	77	67.9 Å²	67.9	41%	0.412	33%	0.334	S	S	.	.			trans	-80.3	178.3	163.4	82.4	11.5	0	0	0	112.3	K262 Q263 K264	D260-K262 VanDerWaalsContact C-N 3.32Å; D260-K262 PolarHBondContact O-N 3.32Å; D260-K262 WeakPolarHBondContact OD1-CA 3.27Å; D260-K262 WeakPolarHBondContact OD1-CB 3.44Å; D260-K262 PolarHBondContact OD1-N 2.97Å; D260-Q263 PolarHBondContact O-N 2.99Å; D260-Q263 WeakPolarHBondContact OD1-CB 3.37Å; D260-Q263 WeakPolarHBondContact OD1-CG 3.29Å; D260-Q263 PolarHBondContact OD1-N 3.31Å; D260-K264 WeakPolarHBondContact O-CB 3Å; D260-K264 PolarHBondContact O-N 3.27Å
261	E	98.3	Very high	98.1	Very high	85 Å²	85	67.8 Å²	67.8	40%	0.397	33%	0.334	S	S	.	.	H	α-helix	trans	-62.7	-32.6	179.8	-76.1	-65.2	161.5	0	0	114.4	Y254 K265	Y254-E261 HydrophobicContact CE2-CG 4.14Å; Y254-E261 WeakPolarHBondContact CE2-OE1 3.33Å; Y254-E261 PolarHBondContact OH-OE1 2.98Å; E261-K265 VanDerWaalsContact O-CG 3.26Å; E261-K265 WeakPolarHBondContact O-CG 3.42Å; E261-K265 PolarHBondContact O-N 3.07Å
262	K	98.5	Very high	98.1	Very high	173 Å²	173	71.1 Å²	71.1	75%	0.752	34%	0.341	S	S	*	.	H	α-helix	trans	-74.7	-45.6	179.3	-68	178.9	-179.3	174.3	0	110	D260 K265 Y266	D260-K262 VanDerWaalsContact C-N 3.32Å; D260-K262 PolarHBondContact O-N 3.32Å; D260-K262 WeakPolarHBondContact OD1-CA 3.27Å; D260-K262 WeakPolarHBondContact OD1-CB 3.44Å; D260-K262 PolarHBondContact OD1-N 2.97Å; K262-K265 PolarHBondContact O-N 3.24Å; K262-Y266 PolarHBondContact O-N 2.83Å; K262-Y266 VanDerWaalsContact O-N 3.07Å
263	Q	98.5	Very high	98.1	Very high	43 Å²	43	73.9 Å²	73.9	20%	0.201	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-43.5	178.3	-65.7	164.8	-24.6	0	0	110.9	L259 D260 K265 Y266 F267 Y304 V308	L259-Q263 HydrophobicContact CB-CB 4.01Å; L259-Q263 HydrophobicContact CD2-CB 3.98Å; L259-Q263 HydrophobicContact CG-CB 4.45Å; D260-Q263 PolarHBondContact O-N 2.99Å; D260-Q263 WeakPolarHBondContact OD1-CB 3.37Å; D260-Q263 WeakPolarHBondContact OD1-CG 3.29Å; D260-Q263 PolarHBondContact OD1-N 3.31Å; Q263-K265 PolarHBondContact O-N 3.18Å; Q263-Y266 WeakPolarHBondContact O-CB 3.35Å; Q263-Y266 PolarHBondContact O-N 3.28Å; Q263-F267 PolarHBondContact O-N 3.12Å; Q263-Y304 WeakPolarHBondContact CA-OH 3.29Å; Q263-V308 HydrophobicContact CG-CB 4.45Å; Q263-V308 HydrophobicContact CG-CG1 4.16Å
264	K	98.6	Very high	98.1	Very high	46 Å²	46	74 Å²	74	20%	0.2	36%	0.355	C	S	.	.	H	α-helix	trans	-55.4	-47.8	172	176.9	-169.5	-175.8	175.7	0	112.5	A250 Y254 D260 Y266 F267 Q268	A250-K264 HydrophobicContact CB-CG 4.47Å; Y254-K264 HydrophobicContact CD1-CD 4.17Å; Y254-K264 HydrophobicContact CD2-CB 4.22Å; Y254-K264 HydrophobicContact CD2-CD 3.71Å; Y254-K264 HydrophobicContact CD2-CG 4.46Å; Y254-K264 HydrophobicContact CE2-CD 4.26Å; Y254-K264 HydrophobicContact CG-CD 3.64Å; Y254-K264 HydrophobicContact CG-CG 4.38Å; D260-K264 WeakPolarHBondContact O-CB 3Å; D260-K264 PolarHBondContact O-N 3.27Å; K264-Y266 VanDerWaalsContact C-N 3.31Å; K264-Y266 PolarHBondContact O-N 3.08Å; K264-F267 PolarHBondContact O-N 2.83Å; K264-Q268 WeakPolarHBondContact O-CB 3.47Å; K264-Q268 PolarHBondContact O-N 2.63Å
265	K	98.6	Very high	98.1	Very high	135 Å²	135	70.6 Å²	70.6	59%	0.587	34%	0.343	S	S	*	.	H	α-helix	trans	-62.4	-39.1	179	-76.4	172.7	-175.3	178.2	0	111.9	E261 K262 Q263 K269	E261-K265 VanDerWaalsContact O-CG 3.26Å; E261-K265 WeakPolarHBondContact O-CG 3.42Å; E261-K265 PolarHBondContact O-N 3.07Å; K262-K265 PolarHBondContact O-N 3.24Å; Q263-K265 PolarHBondContact O-N 3.18Å; K265-K269 PolarHBondContact O-N 3.06Å
266	Y	98.6	Very high	98.2	Very high	94 Å²	94	66.2 Å²	66.2	37%	0.369	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-51.7	174.3	177.4	-94.4	0	0	0	111.3	K262 Q263 K264 Q268 K269 Q270 L293 Y304	K262-Y266 PolarHBondContact O-N 2.83Å; K262-Y266 VanDerWaalsContact O-N 3.07Å; Q263-Y266 WeakPolarHBondContact O-CB 3.35Å; Q263-Y266 PolarHBondContact O-N 3.28Å; K264-Y266 VanDerWaalsContact C-N 3.31Å; K264-Y266 PolarHBondContact O-N 3.08Å; Y266-Q268 VanDerWaalsContact C-N 3.29Å; Y266-Q268 PolarHBondContact O-N 3.02Å; Y266-K269 WeakPolarHBondContact O-CB 3.45Å; Y266-K269 PolarHBondContact O-N 3.36Å; Y266-K269 VanDerWaalsContact O-N 3.07Å; Y266-Q270 HydrophobicContact CD1-CG 4.22Å; Y266-Q270 HydrophobicContact CE1-CG 3.73Å; Y266-Q270 HydrophobicContact CE2-CG 4.1Å; Y266-Q270 PolarHBondContact O-N 3.13Å; Y266-L293 HydrophobicContact CE1-CD1 4.17Å; Y266-Y304 AromaticContact CD1-CD1 3.81Å; Y266-Y304 HydrophobicContact CD1-CD1 3.81Å; Y266-Y304 AromaticContact CD1-CD2 3.84Å; Y266-Y304 HydrophobicContact CD1-CD2 3.84Å; Y266-Y304 AromaticContact CD1-CE1 3.5Å; Y266-Y304 HydrophobicContact CD1-CE1 3.5Å; Y266-Y304 VanDerWaalsContact CD1-CE1 3.5Å; Y266-Y304 AromaticContact CD1-CE2 3.52Å; Y266-Y304 HydrophobicContact CD1-CE2 3.52Å; Y266-Y304 AromaticContact CD1-CG 3.96Å; Y266-Y304 HydrophobicContact CD1-CG 3.96Å; Y266-Y304 AromaticContact CD1-CZ 3.32Å; Y266-Y304 AromaticContact CE1-CD1 3.85Å; Y266-Y304 HydrophobicContact CE1-CD1 3.85Å; Y266-Y304 AromaticContact CE1-CD2 3.41Å; Y266-Y304 HydrophobicContact CE1-CD2 3.41Å; Y266-Y304 VanDerWaalsContact CE1-CD2 3.41Å; Y266-Y304 AromaticContact CE1-CE1 4Å; Y266-Y304 HydrophobicContact CE1-CE1 4Å; Y266-Y304 AromaticContact CE1-CE2 3.56Å; Y266-Y304 HydrophobicContact CE1-CE2 3.56Å; Y266-Y304 AromaticContact CE1-CG 3.55Å; Y266-Y304 HydrophobicContact CE1-CG 3.55Å; Y266-Y304 AromaticContact CE1-CZ 3.84Å; Y266-Y304 HydrophobicContact CG-CE1 4.46Å; Y266-Y304 HydrophobicContact CG-CE2 4.19Å; Y266-Y304 AromaticContact CG-CZ 3.98Å
267	F	98	Very high	98.3	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-52.1	-48.3	175.3	-114.9	-86.2	0	0	0	111.6	A250 L253 L259 Q263 K264 K269 Q270 C271 L293 L294 Y304 F305	A250-F267 HydrophobicContact CB-CB 3.83Å; L253-F267 HydrophobicContact CD1-CD1 4.01Å; L253-F267 HydrophobicContact CD1-CD2 4.48Å; L253-F267 HydrophobicContact CD1-CE1 3.47Å; L253-F267 VanDerWaalsContact CD1-CE1 3.47Å; L253-F267 HydrophobicContact CD1-CE2 3.98Å; L253-F267 HydrophobicContact CD1-CG 4.49Å; L253-F267 HydrophobicContact CD1-CZ 3.47Å; L253-F267 VanDerWaalsContact CD1-CZ 3.47Å; L259-F267 HydrophobicContact CD1-CB 4.15Å; L259-F267 HydrophobicContact CD1-CD2 3.46Å; L259-F267 VanDerWaalsContact CD1-CD2 3.46Å; L259-F267 HydrophobicContact CD1-CE2 3.96Å; L259-F267 HydrophobicContact CD1-CG 3.84Å; L259-F267 HydrophobicContact CD2-CD2 4.05Å; L259-F267 HydrophobicContact CD2-CE2 3.98Å; L259-F267 HydrophobicContact CG-CD2 4.44Å; Q263-F267 PolarHBondContact O-N 3.12Å; K264-F267 PolarHBondContact O-N 2.83Å; F267-K269 VanDerWaalsContact C-N 3.32Å; F267-K269 PolarHBondContact O-N 3.36Å; F267-Q270 PolarHBondContact O-N 3.44Å; F267-C271 WeakPolarHBondContact O-CB 3.17Å; F267-C271 PolarHBondContact O-N 3.4Å; F267-C271 PolarHBondContact O-SG 2.89Å; F267-L293 HydrophobicContact CD1-CD1 3.75Å; F267-L293 HydrophobicContact CD1-CD2 3.63Å; F267-L293 HydrophobicContact CD1-CG 3.79Å; F267-L293 HydrophobicContact CD2-CD1 3.96Å; F267-L293 HydrophobicContact CE1-CD1 3.66Å; F267-L293 HydrophobicContact CE1-CD2 3.64Å; F267-L293 HydrophobicContact CE1-CG 3.4Å; F267-L293 HydrophobicContact CE2-CD1 3.9Å; F267-L293 HydrophobicContact CE2-CG 4.45Å; F267-L293 HydrophobicContact CG-CD1 3.89Å; F267-L293 HydrophobicContact CG-CD2 4.46Å; F267-L293 HydrophobicContact CG-CG 4.44Å; F267-L293 HydrophobicContact CZ-CD1 3.72Å; F267-L293 HydrophobicContact CZ-CD2 4.47Å; F267-L293 HydrophobicContact CZ-CG 3.76Å; F267-L294 HydrophobicContact CE1-CD2 3.85Å; F267-L294 HydrophobicContact CE1-CG 4.43Å; F267-L294 HydrophobicContact CZ-CD2 3.91Å; F267-Y304 AromaticContact CD2-CD1 3.75Å; F267-Y304 HydrophobicContact CD2-CD1 3.75Å; F267-Y304 AromaticContact CD2-CE1 3.7Å; F267-Y304 HydrophobicContact CD2-CE1 3.7Å; F267-Y304 AromaticContact CE2-CD1 3.5Å; F267-Y304 HydrophobicContact CE2-CD1 3.5Å; F267-Y304 VanDerWaalsContact CE2-CD1 3.5Å; F267-Y304 AromaticContact CE2-CE1 3.85Å; F267-Y304 HydrophobicContact CE2-CE1 3.85Å; F267-Y304 HydrophobicContact CZ-CD1 4.46Å; F267-F305 HydrophobicContact CZ-CB 4.27Å
268	Q	98.6	Very high	98.4	Very high	116 Å²	116	62.7 Å²	62.7	54%	0.542	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-40.1	179.8	-174.3	175.9	-1.4	0	0	112.1	A250 K264 Y266 H272	A250-Q268 HydrophobicContact CB-CB 3.79Å; K264-Q268 WeakPolarHBondContact O-CB 3.47Å; K264-Q268 PolarHBondContact O-N 2.63Å; Y266-Q268 VanDerWaalsContact C-N 3.29Å; Y266-Q268 PolarHBondContact O-N 3.02Å; Q268-H272 WeakPolarHBondContact O-CB 3.22Å; Q268-H272 PolarHBondContact O-N 3.22Å
269	K	98.7	Very high	98.5	Very high	135 Å²	135	67.3 Å²	67.3	59%	0.587	30%	0.301	S	S	*	.	H	α-helix	trans	-62.8	-47.9	175.8	-176.3	-170.2	172.4	-164.5	0	111.2	K265 Y266 F267 H272 E273	K265-K269 PolarHBondContact O-N 3.06Å; Y266-K269 WeakPolarHBondContact O-CB 3.45Å; Y266-K269 PolarHBondContact O-N 3.36Å; Y266-K269 VanDerWaalsContact O-N 3.07Å; F267-K269 VanDerWaalsContact C-N 3.32Å; F267-K269 PolarHBondContact O-N 3.36Å; K269-H272 PolarHBondContact O-N 3.48Å; K269-E273 PolarHBondContact O-N 3.3Å
270	Q	98.5	Very high	98.5	Very high	30 Å²	30	73.1 Å²	73.1	14%	0.14	33%	0.326	C	S	.	.	H	α-helix	trans	-65.7	-40.8	179.9	-62	-57.9	-94.9	0	0	112	Y266 F267 H272 E273 C274 I289 L293	Y266-Q270 HydrophobicContact CD1-CG 4.22Å; Y266-Q270 HydrophobicContact CE1-CG 3.73Å; Y266-Q270 HydrophobicContact CE2-CG 4.1Å; Y266-Q270 PolarHBondContact O-N 3.13Å; F267-Q270 PolarHBondContact O-N 3.44Å; Q270-H272 VanDerWaalsContact C-N 3.33Å; Q270-H272 PolarHBondContact O-N 3.29Å; Q270-E273 PolarHBondContact NE2-OE2 3Å; Q270-E273 VanDerWaalsContact NE2-OE2 3.13Å; Q270-E273 PolarHBondContact O-N 2.96Å; Q270-C274 WeakPolarHBondContact O-CB 3.42Å; Q270-C274 PolarHBondContact O-N 3.04Å; Q270-I289 HydrophobicContact CB-CG2 4.12Å; Q270-I289 WeakPolarHBondContact O-CG2 3.35Å; Q270-L293 HydrophobicContact CB-CD1 4.18Å; Q270-L293 HydrophobicContact CB-CD2 3.97Å; Q270-L293 HydrophobicContact CG-CD1 4.38Å
271	C	98.4	Very high	98.5	Very high	6 Å²	6	76.1 Å²	76.1	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-42.8	173.5	-66.3	0	0	0	0	111.8	I246 F267 C274 I275	I246-C271 HydrophobicContact CG2-CB 3.79Å; I246-C271 PolarHBondContact O-SG 2.79Å; I246-C271 VanDerWaalsContact O-SG 3.35Å; F267-C271 WeakPolarHBondContact O-CB 3.17Å; F267-C271 PolarHBondContact O-N 3.4Å; F267-C271 PolarHBondContact O-SG 2.89Å; C271-C274 PolarHBondContact O-N 2.98Å; C271-I275 WeakPolarHBondContact O-CD1 3.28Å; C271-I275 VanDerWaalsContact O-CG1 3.27Å; C271-I275 WeakPolarHBondContact O-CG1 3.39Å; C271-I275 PolarHBondContact O-N 3.02Å
272	H	98.6	Very high	98.4	Very high	115 Å²	115	75.1 Å²	75.1	53%	0.532	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-44.9	176.9	-178.5	61.3	0	0	0	112	Q268 K269 Q270 I275 E276	Q268-H272 WeakPolarHBondContact O-CB 3.22Å; Q268-H272 PolarHBondContact O-N 3.22Å; K269-H272 PolarHBondContact O-N 3.48Å; Q270-H272 VanDerWaalsContact C-N 3.33Å; Q270-H272 PolarHBondContact O-N 3.29Å; H272-I275 PolarHBondContact O-N 3.14Å; H272-E276 IonicContact CE1-OE1 3.19Å; H272-E276 WeakPolarHBondContact O-CG 3.42Å; H272-E276 PolarHBondContact O-N 3.16Å
273	E	98.6	Very high	98.4	Very high	77 Å²	77	69.4 Å²	69.4	36%	0.36	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-46.2	177.1	-168.7	173.9	179.6	0	0	111.8	K269 Q270 I275 E276 H277 I289	K269-E273 PolarHBondContact O-N 3.3Å; Q270-E273 PolarHBondContact NE2-OE2 3Å; Q270-E273 VanDerWaalsContact NE2-OE2 3.13Å; Q270-E273 PolarHBondContact O-N 2.96Å; E273-I275 PolarHBondContact O-N 3.25Å; E273-E276 PolarHBondContact O-N 2.59Å; E273-H277 PolarHBondContact O-CD2 2.69Å; E273-H277 VanDerWaalsContact O-CD2 3.25Å; E273-H277 PolarHBondContact O-N 3.39Å; E273-I289 HydrophobicContact CB-CD1 4.31Å; E273-I289 HydrophobicContact CG-CD1 3.81Å
274	C	98.6	Very high	98.2	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.014	31%	0.31	C	S	.	.	H	α-helix	trans	-55.5	-50.7	174.1	-178.3	0	0	0	0	111.5	I246 Q270 C271 E276 H277 I278 A286 I289	I246-C274 HydrophobicContact CG2-CB 4.39Å; Q270-C274 WeakPolarHBondContact O-CB 3.42Å; Q270-C274 PolarHBondContact O-N 3.04Å; C271-C274 PolarHBondContact O-N 2.98Å; C274-E276 VanDerWaalsContact C-N 3.31Å; C274-E276 PolarHBondContact O-N 2.87Å; C274-H277 WeakPolarHBondContact O-CA 3.27Å; C274-H277 WeakPolarHBondContact O-CB 3.14Å; C274-H277 PolarHBondContact O-N 2.79Å; C274-I278 WeakPolarHBondContact O-CG1 3.13Å; C274-I278 PolarHBondContact O-N 3.03Å; C274-A286 PolarHBondContact SG-O 2.86Å; C274-I289 HydrophobicContact CB-CB 4.21Å; C274-I289 HydrophobicContact CB-CG2 3.86Å
275	I	98.6	Very high	98.2	Very high	14 Å²	14	71.7 Å²	71.7	7%	0.072	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-38.3	178.6	-69.4	166	0	0	0	111.9	E243 I246 C271 H272 E273 H277 I278 R279	E243-I275 HydrophobicContact CG-CG2 4.37Å; I246-I275 HydrophobicContact CB-CD1 4.4Å; I246-I275 HydrophobicContact CB-CG1 4.32Å; I246-I275 HydrophobicContact CG2-CD1 4.13Å; I246-I275 HydrophobicContact CG2-CG1 3.99Å; C271-I275 WeakPolarHBondContact O-CD1 3.28Å; C271-I275 VanDerWaalsContact O-CG1 3.27Å; C271-I275 WeakPolarHBondContact O-CG1 3.39Å; C271-I275 PolarHBondContact O-N 3.02Å; H272-I275 PolarHBondContact O-N 3.14Å; E273-I275 PolarHBondContact O-N 3.25Å; I275-H277 VanDerWaalsContact C-N 3.31Å; I275-H277 PolarHBondContact O-N 3.4Å; I275-I278 WeakPolarHBondContact O-CB 3.42Å; I275-I278 PolarHBondContact O-N 2.84Å; I275-R279 WeakPolarHBondContact O-CG 3.41Å; I275-R279 PolarHBondContact O-N 2.76Å
276	E	98.6	Very high	98.1	Very high	58 Å²	58	65.3 Å²	65.3	27%	0.271	29%	0.291	S	S	.	.	H	α-helix	trans	-66	-33.5	175.5	-72.4	-61.8	120.4	0	0	112.5	H272 E273 C274 R279 K280	H272-E276 IonicContact CE1-OE1 3.19Å; H272-E276 WeakPolarHBondContact O-CG 3.42Å; H272-E276 PolarHBondContact O-N 3.16Å; E273-E276 PolarHBondContact O-N 2.59Å; C274-E276 VanDerWaalsContact C-N 3.31Å; C274-E276 PolarHBondContact O-N 2.87Å; E276-R279 IonicContact OE1-CZ 3.4Å; E276-R279 IonicContact OE1-NH1 3.12Å; E276-R279 PolarHBondContact OE1-NH1 3.12Å; E276-K280 WeakPolarHBondContact O-CD 3.36Å; E276-K280 VanDerWaalsContact O-CG 3.29Å; E276-K280 WeakPolarHBondContact O-CG 3.45Å; E276-K280 PolarHBondContact O-N 2.84Å
277	H	98.7	Very high	98	Very high	44 Å²	44	61 Å²	61	20%	0.204	27%	0.274	C	S	.	.	H	α-helix	trans	-68.4	-42.8	170.9	-82.8	-79.9	0	0	0	112.1	E273 C274 I275 R279 K280 Q281 N282 Q285 A286	E273-H277 PolarHBondContact O-CD2 2.69Å; E273-H277 VanDerWaalsContact O-CD2 3.25Å; E273-H277 PolarHBondContact O-N 3.39Å; C274-H277 WeakPolarHBondContact O-CA 3.27Å; C274-H277 WeakPolarHBondContact O-CB 3.14Å; C274-H277 PolarHBondContact O-N 2.79Å; I275-H277 VanDerWaalsContact C-N 3.31Å; I275-H277 PolarHBondContact O-N 3.4Å; H277-R279 VanDerWaalsContact C-N 3.35Å; H277-R279 PolarHBondContact O-N 3.03Å; H277-K280 CarbonylContact O-C 3.47Å; H277-K280 PolarHBondContact O-N 3.41Å; H277-K280 VanDerWaalsContact O-N 3.14Å; H277-Q281 PolarHBondContact O-N 3.15Å; H277-Q281 VanDerWaalsContact O-N 3.13Å; H277-N282 HydrophobicContact CB-CB 4.13Å; H277-N282 WeakPolarHBondContact ND1-CB 3.48Å; H277-N282 PolarHBondContact O-N 3.35Å; H277-Q285 WeakPolarHBondContact ND1-CB 3.33Å; H277-A286 HydrophobicContact CB-CB 3.75Å
278	I	98.5	Very high	97.8	Very high	7 Å²	7	63.6 Å²	63.6	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-55.7	-49.8	174.5	-67.2	175.3	0	0	0	110.3	P242 E243 I246 C274 I275 K280 Q281 W283 A286 V364	P242-I278 HydrophobicContact CB-CD1 4.34Å; E243-I278 HydrophobicContact CG-CB 4.4Å; E243-I278 HydrophobicContact CG-CD1 4.4Å; E243-I278 HydrophobicContact CG-CG2 3.63Å; I246-I278 HydrophobicContact CD1-CD1 3.72Å; C274-I278 WeakPolarHBondContact O-CG1 3.13Å; C274-I278 PolarHBondContact O-N 3.03Å; I275-I278 WeakPolarHBondContact O-CB 3.42Å; I275-I278 PolarHBondContact O-N 2.84Å; I278-K280 PolarHBondContact O-N 3.2Å; I278-Q281 WeakPolarHBondContact O-CA 3.44Å; I278-Q281 PolarHBondContact O-N 3.07Å; I278-W283 HydrophobicContact CB-CZ3 4.19Å; I278-W283 HydrophobicContact CG2-CZ3 3.75Å; I278-W283 WeakPolarHBondContact O-CH2 3.31Å; I278-W283 WeakPolarHBondContact O-CZ3 3.45Å; I278-A286 HydrophobicContact CG1-CB 3.63Å; I278-V364 HydrophobicContact CD1-CB 3.98Å; I278-V364 HydrophobicContact CD1-CG1 4.45Å; I278-V364 HydrophobicContact CG1-CB 3.98Å; I278-V364 HydrophobicContact CG1-CG2 4.45Å
279	R	98.1	Very high	97.7	Very high	147 Å²	147	59 Å²	59	56%	0.555	27%	0.266	S	S	*	.	H	α-helix	trans	-63.3	-26.2	180	-71.7	169.1	-179.8	174.9	-5.7	114.2	E243 I275 E276 H277 Q281	E243-R279 IonicContact OE2-CZ 3.83Å; E243-R279 IonicContact OE2-NE 3.72Å; E243-R279 PolarHBondContact OE2-NE 3.06Å; E243-R279 IonicContact OE2-NH2 3.94Å; I275-R279 WeakPolarHBondContact O-CG 3.41Å; I275-R279 PolarHBondContact O-N 2.76Å; E276-R279 IonicContact OE1-CZ 3.4Å; E276-R279 IonicContact OE1-NH1 3.12Å; E276-R279 PolarHBondContact OE1-NH1 3.12Å; H277-R279 VanDerWaalsContact C-N 3.35Å; H277-R279 PolarHBondContact O-N 3.03Å; R279-Q281 VanDerWaalsContact C-N 3.32Å
280	K	98.3	Very high	97.5	Very high	132 Å²	132	53 Å²	53	57%	0.574	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	1.6	174.8	-68.4	169.7	-171.3	165.8	0	112.8	E276 H277 I278 N282	E276-K280 WeakPolarHBondContact O-CD 3.36Å; E276-K280 VanDerWaalsContact O-CG 3.29Å; E276-K280 WeakPolarHBondContact O-CG 3.45Å; E276-K280 PolarHBondContact O-N 2.84Å; H277-K280 CarbonylContact O-C 3.47Å; H277-K280 PolarHBondContact O-N 3.41Å; H277-K280 VanDerWaalsContact O-N 3.14Å; I278-K280 PolarHBondContact O-N 3.2Å; K280-N282 PolarHBondContact O-N 3.23Å
281	Q	97.8	Very high	97.2	Very high	139 Å²	139	51.7 Å²	51.7	65%	0.65	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	26.2	-174.9	-50.9	-175.3	-27	0	0	113.6	H277 I278 R279 W283	H277-Q281 PolarHBondContact O-N 3.15Å; H277-Q281 VanDerWaalsContact O-N 3.13Å; I278-Q281 WeakPolarHBondContact O-CA 3.44Å; I278-Q281 PolarHBondContact O-N 3.07Å; R279-Q281 VanDerWaalsContact C-N 3.32Å; Q281-W283 HydrophobicContact CB-CD2 4.45Å; Q281-W283 HydrophobicContact CB-CH2 4.02Å; Q281-W283 HydrophobicContact CB-CZ2 3.5Å; Q281-W283 VanDerWaalsContact CB-CZ2 3.5Å; Q281-W283 HydrophobicContact CG-CH2 3.8Å; Q281-W283 HydrophobicContact CG-CZ2 3.51Å; Q281-W283 PolarHBondContact O-N 3.06Å; Q281-W283 VanDerWaalsContact O-N 3.1Å
282	N	98	Very high	97	Very high	65 Å²	65	56.1 Å²	56.1	35%	0.348	25%	0.253	S	S	.	.			trans	-86.8	64.8	173.8	-68.8	-18.1	0	0	0	109.2	H277 K280 F284 Q285 A286	H277-N282 HydrophobicContact CB-CB 4.13Å; H277-N282 WeakPolarHBondContact ND1-CB 3.48Å; H277-N282 PolarHBondContact O-N 3.35Å; K280-N282 PolarHBondContact O-N 3.23Å; N282-F284 PolarHBondContact O-N 2.98Å; N282-Q285 PolarHBondContact O-N 3.26Å; N282-A286 PolarHBondContact O-N 2.9Å; N282-A286 VanDerWaalsContact O-N 3.07Å
283	W	97.5	Very high	96.8	Very high	52 Å²	52	50.9 Å²	50.9	20%	0.197	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-45.6	-167.4	-50.7	131.4	0	0	0	113.5	I278 Q281 Q285 A286 F287 E361 V364 Q365	I278-W283 HydrophobicContact CB-CZ3 4.19Å; I278-W283 HydrophobicContact CG2-CZ3 3.75Å; I278-W283 WeakPolarHBondContact O-CH2 3.31Å; I278-W283 WeakPolarHBondContact O-CZ3 3.45Å; Q281-W283 HydrophobicContact CB-CD2 4.45Å; Q281-W283 HydrophobicContact CB-CH2 4.02Å; Q281-W283 HydrophobicContact CB-CZ2 3.5Å; Q281-W283 VanDerWaalsContact CB-CZ2 3.5Å; Q281-W283 HydrophobicContact CG-CH2 3.8Å; Q281-W283 HydrophobicContact CG-CZ2 3.51Å; Q281-W283 PolarHBondContact O-N 3.06Å; Q281-W283 VanDerWaalsContact O-N 3.1Å; W283-Q285 PolarHBondContact O-N 2.96Å; W283-A286 PolarHBondContact O-N 3.22Å; W283-F287 PolarHBondContact O-N 3.35Å; W283-E361 HydrophobicContact CB-CB 3.75Å; W283-E361 HydrophobicContact CB-CG 3.99Å; W283-E361 HydrophobicContact CG-CB 4.49Å; W283-V364 HydrophobicContact CB-CG2 4Å; W283-V364 HydrophobicContact CE3-CG2 3.9Å; W283-Q365 HydrophobicContact CD2-CG 3.89Å; W283-Q365 HydrophobicContact CE3-CG 4.07Å; W283-Q365 HydrophobicContact CG-CG 4.4Å; W283-Q365 HydrophobicContact CH2-CG 4.27Å; W283-Q365 HydrophobicContact CZ2-CG 4.09Å; W283-Q365 HydrophobicContact CZ3-CG 4.25Å
284	F	95.4	Very high	96.4	Very high	54 Å²	54	47.4 Å²	47.4	24%	0.237	21%	0.212	C	C	.	.	H	α-helix	trans	-60.5	-46.1	-179	-177.7	-105.9	0	0	0	112	N282 A286 F287 E288 R360 E361	N282-F284 PolarHBondContact O-N 2.98Å; F284-A286 PolarHBondContact O-N 3.45Å; F284-F287 PolarHBondContact O-N 2.85Å; F284-E288 HydrophobicContact CD1-CG 4.42Å; F284-E288 HydrophobicContact CE1-CG 3.92Å; F284-E288 WeakPolarHBondContact CE1-OE2 3.34Å; F284-E288 HydrophobicContact CE2-CG 4.3Å; F284-E288 HydrophobicContact CZ-CG 3.86Å; F284-E288 PolarHBondContact O-N 2.93Å; F284-R360 VanDerWaalsContact CE2-NH1 3.32Å; F284-E361 HydrophobicContact CB-CG 4.23Å
285	Q	97.1	Very high	95.6	Very high	84 Å²	84	48.4 Å²	48.4	39%	0.393	22%	0.218	S	C	.	.	H	α-helix	trans	-66.2	-37.6	177.7	-69.8	79.7	8.4	0	0	112.2	H277 N282 W283 E288 I289	H277-Q285 WeakPolarHBondContact ND1-CB 3.33Å; N282-Q285 PolarHBondContact O-N 3.26Å; W283-Q285 PolarHBondContact O-N 2.96Å; Q285-E288 PolarHBondContact O-N 2.8Å; Q285-I289 WeakPolarHBondContact O-CG1 3.17Å; Q285-I289 PolarHBondContact O-N 3.3Å
286	A	97.8	Very high	94.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-44.6	174.4	0	0	0	0	0	111.7	C274 H277 I278 N282 W283 F284 I289 L290 V364	C274-A286 PolarHBondContact SG-O 2.86Å; H277-A286 HydrophobicContact CB-CB 3.75Å; I278-A286 HydrophobicContact CG1-CB 3.63Å; N282-A286 PolarHBondContact O-N 2.9Å; N282-A286 VanDerWaalsContact O-N 3.07Å; W283-A286 PolarHBondContact O-N 3.22Å; F284-A286 PolarHBondContact O-N 3.45Å; A286-I289 PolarHBondContact O-N 3.03Å; A286-L290 PolarHBondContact O-N 2.9Å; A286-L290 VanDerWaalsContact O-N 3.16Å; A286-V364 HydrophobicContact CB-CB 4.29Å; A286-V364 HydrophobicContact CB-CG1 4.19Å; A286-V364 HydrophobicContact CB-CG2 4.04Å
287	F	95.3	Very high	93.4	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-49.3	175.8	177.6	-94	0	0	0	111.5	L23 W283 F284 I289 L290 D291 L298 R360 T363 V364	L23-F287 HydrophobicContact CD2-CE2 4.39Å; W283-F287 PolarHBondContact O-N 3.35Å; F284-F287 PolarHBondContact O-N 2.85Å; F287-I289 PolarHBondContact O-N 2.89Å; F287-L290 PolarHBondContact O-N 2.98Å; F287-D291 HydrophobicContact CE1-CB 4.21Å; F287-D291 HydrophobicContact CZ-CB 4.46Å; F287-D291 WeakPolarHBondContact O-CB 3.33Å; F287-D291 PolarHBondContact O-N 3.15Å; F287-L298 HydrophobicContact CD1-CD1 4.08Å; F287-L298 HydrophobicContact CE1-CD1 3.57Å; F287-L298 HydrophobicContact CE1-CG 4.11Å; F287-R360 HydrophobicContact CD1-CB 4.07Å; F287-R360 HydrophobicContact CD2-CB 4.29Å; F287-R360 WeakPolarHBondContact CD2-O 3.38Å; F287-R360 HydrophobicContact CE1-CB 4Å; F287-R360 HydrophobicContact CE2-CB 4.21Å; F287-R360 HydrophobicContact CG-CB 4.22Å; F287-R360 WeakPolarHBondContact CG-O 3.36Å; F287-R360 HydrophobicContact CZ-CB 4.06Å; F287-T363 HydrophobicContact CD2-CG2 3.98Å; F287-T363 HydrophobicContact CE2-CG2 4.07Å; F287-V364 HydrophobicContact CB-CG1 4.32Å
288	E	94.2	Very high	91.9	Very high	55 Å²	55	47.1 Å²	47.1	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-57.6	-35.8	179.2	-76.5	-165.7	87.3	0	0	113.3	F284 Q285 K292	F284-E288 HydrophobicContact CD1-CG 4.42Å; F284-E288 HydrophobicContact CE1-CG 3.92Å; F284-E288 WeakPolarHBondContact CE1-OE2 3.34Å; F284-E288 HydrophobicContact CE2-CG 4.3Å; F284-E288 HydrophobicContact CZ-CG 3.86Å; F284-E288 PolarHBondContact O-N 2.93Å; Q285-E288 PolarHBondContact O-N 2.8Å; E288-K292 WeakPolarHBondContact O-CB 3.32Å; E288-K292 WeakPolarHBondContact O-CD 3.45Å; E288-K292 WeakPolarHBondContact O-CG 3.37Å; E288-K292 PolarHBondContact O-N 3.32Å; E288-K292 IonicContact OE1-NZ 3.77Å; E288-K292 PolarHBondContact OE1-NZ 3.38Å
289	I	96.3	Very high	90.4	Very high	20 Å²	20	48.6 Å²	48.6	10%	0.103	23%	0.226	C	C	.	.	H	α-helix	trans	-68.6	-44.3	176.8	-67.5	163.7	0	0	0	110.4	Q270 E273 C274 Q285 A286 F287 L293	Q270-I289 HydrophobicContact CB-CG2 4.12Å; Q270-I289 WeakPolarHBondContact O-CG2 3.35Å; E273-I289 HydrophobicContact CB-CD1 4.31Å; E273-I289 HydrophobicContact CG-CD1 3.81Å; C274-I289 HydrophobicContact CB-CB 4.21Å; C274-I289 HydrophobicContact CB-CG2 3.86Å; Q285-I289 WeakPolarHBondContact O-CG1 3.17Å; Q285-I289 PolarHBondContact O-N 3.3Å; A286-I289 PolarHBondContact O-N 3.03Å; F287-I289 PolarHBondContact O-N 2.89Å; I289-L293 VanDerWaalsContact O-CB 3.27Å; I289-L293 WeakPolarHBondContact O-CB 3.21Å; I289-L293 PolarHBondContact O-N 2.86Å
290	L	94.6	Very high	89.5	Confident	10 Å²	10	47.3 Å²	47.3	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-47.3	-179.4	-175.6	63.2	0	0	0	111.1	I246 Y249 A286 F287 L293 L294 V364	I246-L290 HydrophobicContact CD1-CD1 4.46Å; I246-L290 HydrophobicContact CD1-CD2 4.23Å; I246-L290 HydrophobicContact CG1-CD1 4.11Å; I246-L290 HydrophobicContact CG1-CD2 4.49Å; Y249-L290 HydrophobicContact CE2-CD1 4.09Å; A286-L290 PolarHBondContact O-N 2.9Å; A286-L290 VanDerWaalsContact O-N 3.16Å; F287-L290 PolarHBondContact O-N 2.98Å; L290-L293 WeakPolarHBondContact O-CB 3.31Å; L290-L293 PolarHBondContact O-N 2.55Å; L290-L294 HydrophobicContact CD1-CD1 3.79Å; L290-L294 PolarHBondContact O-N 3.14Å; L290-V364 HydrophobicContact CD2-CG1 4.46Å
291	D	91.8	Very high	88.7	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.011	24%	0.241	C	C	.	.	H	α-helix	trans	-54.5	-55.4	177.1	173.9	40.1	0	0	0	111.1	F287 L293 L294 D295 G296 D297 L298	F287-D291 HydrophobicContact CE1-CB 4.21Å; F287-D291 HydrophobicContact CZ-CB 4.46Å; F287-D291 WeakPolarHBondContact O-CB 3.33Å; F287-D291 PolarHBondContact O-N 3.15Å; D291-L293 PolarHBondContact O-N 2.77Å; D291-L294 PolarHBondContact O-N 2.76Å; D291-D295 CarbonylContact O-C 3.51Å; D291-D295 PolarHBondContact O-N 2.87Å; D291-G296 PolarHBondContact O-N 2.87Å; D291-G296 WeakPolarHBondContact OD1-CA 3.46Å; D291-G296 PolarHBondContact OD1-N 3.03Å; D291-D297 PolarHBondContact OD1-N 2.86Å; D291-L298 VanDerWaalsContact OD2-CB 3.27Å; D291-L298 WeakPolarHBondContact OD2-CB 3.31Å; D291-L298 PolarHBondContact OD2-N 3.34Å
292	K	93.7	Very high	88.2	Confident	99 Å²	99	42.5 Å²	42.5	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-56.4	-28.6	176.2	-78.7	164	-170.2	155.3	0	113.8	E288 T299 S303 Y304	E288-K292 WeakPolarHBondContact O-CB 3.32Å; E288-K292 WeakPolarHBondContact O-CD 3.45Å; E288-K292 WeakPolarHBondContact O-CG 3.37Å; E288-K292 PolarHBondContact O-N 3.32Å; E288-K292 IonicContact OE1-NZ 3.77Å; E288-K292 PolarHBondContact OE1-NZ 3.38Å; K292-T299 HydrophobicContact CD-CG2 4.32Å; K292-T299 HydrophobicContact CG-CG2 3.52Å; K292-S303 WeakPolarHBondContact O-CA 3.1Å; K292-Y304 PolarHBondContact O-N 3.28Å
293	L	94.5	Very high	88	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-83.7	-41.7	-173.7	-174.5	63	0	0	0	112.4	Y266 F267 Q270 I289 L290 D291 Y304 F305	Y266-L293 HydrophobicContact CE1-CD1 4.17Å; F267-L293 HydrophobicContact CD1-CD1 3.75Å; F267-L293 HydrophobicContact CD1-CD2 3.63Å; F267-L293 HydrophobicContact CD1-CG 3.79Å; F267-L293 HydrophobicContact CD2-CD1 3.96Å; F267-L293 HydrophobicContact CE1-CD1 3.66Å; F267-L293 HydrophobicContact CE1-CD2 3.64Å; F267-L293 HydrophobicContact CE1-CG 3.4Å; F267-L293 HydrophobicContact CE2-CD1 3.9Å; F267-L293 HydrophobicContact CE2-CG 4.45Å; F267-L293 HydrophobicContact CG-CD1 3.89Å; F267-L293 HydrophobicContact CG-CD2 4.46Å; F267-L293 HydrophobicContact CG-CG 4.44Å; F267-L293 HydrophobicContact CZ-CD1 3.72Å; F267-L293 HydrophobicContact CZ-CD2 4.47Å; F267-L293 HydrophobicContact CZ-CG 3.76Å; Q270-L293 HydrophobicContact CB-CD1 4.18Å; Q270-L293 HydrophobicContact CB-CD2 3.97Å; Q270-L293 HydrophobicContact CG-CD1 4.38Å; I289-L293 VanDerWaalsContact O-CB 3.27Å; I289-L293 WeakPolarHBondContact O-CB 3.21Å; I289-L293 PolarHBondContact O-N 2.86Å; L290-L293 WeakPolarHBondContact O-CB 3.31Å; L290-L293 PolarHBondContact O-N 2.55Å; D291-L293 PolarHBondContact O-N 2.77Å; L293-Y304 HydrophobicContact CD1-CD1 4.12Å; L293-Y304 HydrophobicContact CD1-CG 4.41Å; L293-F305 WeakPolarHBondContact O-CB 3.19Å; L293-F305 PolarHBondContact O-N 2.89Å
294	L	91.2	Very high	87.8	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-114.6	-48.3	-172.6	-71.2	171.3	0	0	0	113.1	Y249 F267 L290 D291 S303 F305 I390	Y249-L294 HydrophobicContact CD1-CD1 4.22Å; Y249-L294 HydrophobicContact CD2-CD1 3.96Å; Y249-L294 HydrophobicContact CE1-CD1 3.81Å; Y249-L294 HydrophobicContact CE2-CD1 3.51Å; Y249-L294 HydrophobicContact CG-CD1 4.31Å; Y249-L294 VanDerWaalsContact CZ-CD1 3.42Å; F267-L294 HydrophobicContact CE1-CD2 3.85Å; F267-L294 HydrophobicContact CE1-CG 4.43Å; F267-L294 HydrophobicContact CZ-CD2 3.91Å; L290-L294 HydrophobicContact CD1-CD1 3.79Å; L290-L294 PolarHBondContact O-N 3.14Å; D291-L294 PolarHBondContact O-N 2.76Å; L294-S303 VanDerWaalsContact C-CB 3.47Å; L294-S303 WeakPolarHBondContact O-CB 3.29Å; L294-S303 PolarHBondContact O-OG 2.89Å; L294-F305 HydrophobicContact CD2-CB 4.29Å; L294-F305 HydrophobicContact CD2-CD2 4.45Å; L294-F305 HydrophobicContact CD2-CG 4.5Å; L294-I390 HydrophobicContact CD1-CD1 4.11Å
295	D	82.4	Confident	87.8	Confident	24 Å²	24	37.2 Å²	37.2	13%	0.128	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-65.7	-161.4	-51.2	-52.5	0	0	0	111.6	L23 D291 D297 S303 Y314	L23-D295 HydrophobicContact CD1-CB 3.35Å; L23-D295 WeakPolarHBondContact CD1-OD2 3.11Å; D291-D295 CarbonylContact O-C 3.51Å; D291-D295 PolarHBondContact O-N 2.87Å; D295-D297 WeakPolarHBondContact CB-OD2 3.46Å; D295-S303 WeakPolarHBondContact O-CB 3.44Å; D295-Y314 WeakPolarHBondContact OD1-CE1 3.26Å
296	G	79.9	Confident	87.7	Confident	12 Å²	12	36.4 Å²	36.4	12%	0.124	20%	0.199	C	C	.	.			trans	96.9	35.1	167.9	0	0	0	0	0	113.8	D291 T299	D291-G296 PolarHBondContact O-N 2.87Å; D291-G296 WeakPolarHBondContact OD1-CA 3.46Å; D291-G296 PolarHBondContact OD1-N 3.03Å; G296-T299 VanDerWaalsContact CA-OG1 3.31Å; G296-T299 WeakPolarHBondContact CA-OG1 3.42Å; G296-T299 PolarHBondContact O-OG1 2.58Å
297	D	69.9	Low	87.5	Confident	27 Å²	27	41.3 Å²	41.3	14%	0.144	23%	0.225	C	C	.	.	S	Bend	trans	-94.4	-38	-165.6	-44.2	-67	0	0	0	113.3	D21 L23 D291 D295 T299	D21-D297 CarbonylContact O-C 3.53Å; L23-D297 VanDerWaalsContact CA-OD1 3.31Å; L23-D297 WeakPolarHBondContact CA-OD1 3.35Å; L23-D297 WeakPolarHBondContact CA-OD2 3.37Å; L23-D297 WeakPolarHBondContact CB-OD2 3.43Å; L23-D297 WeakPolarHBondContact CD1-OD2 3.31Å; L23-D297 VanDerWaalsContact N-CB 3.28Å; L23-D297 PolarHBondContact N-OD2 2.99Å; D291-D297 PolarHBondContact OD1-N 2.86Å; D295-D297 WeakPolarHBondContact CB-OD2 3.46Å; D297-T299 PolarHBondContact O-N 2.94Å
298	L	67.8	Low	87.5	Confident	49 Å²	49	42.9 Å²	42.9	26%	0.257	23%	0.234	S	C	.	.	S	Bend	trans	-79.7	1.5	171.8	-56.9	-171.8	0	0	0	111.7	C20 F287 D291	C20-L298 HydrophobicContact CB-CD2 4.35Å; C20-L298 PolarHBondContact SG-O 3.21Å; F287-L298 HydrophobicContact CD1-CD1 4.08Å; F287-L298 HydrophobicContact CE1-CD1 3.57Å; F287-L298 HydrophobicContact CE1-CG 4.11Å; D291-L298 VanDerWaalsContact OD2-CB 3.27Å; D291-L298 WeakPolarHBondContact OD2-CB 3.31Å; D291-L298 PolarHBondContact OD2-N 3.34Å
299	T	67.7	Low	87.5	Confident	39 Å²	39	41.7 Å²	41.7	24%	0.239	23%	0.231	C	C	.	.	S	Bend	trans	-106	145.5	-179.5	54.1	0	0	0	0	113	K292 G296 D297 D301	K292-T299 HydrophobicContact CD-CG2 4.32Å; K292-T299 HydrophobicContact CG-CG2 3.52Å; G296-T299 VanDerWaalsContact CA-OG1 3.31Å; G296-T299 WeakPolarHBondContact CA-OG1 3.42Å; G296-T299 PolarHBondContact O-OG1 2.58Å; D297-T299 PolarHBondContact O-N 2.94Å; T299-D301 PolarHBondContact O-N 3.43Å; T299-D301 PolarHBondContact OG1-O 3.2Å
300	S	77.7	Confident	87.3	Confident	119 Å²	119	43.9 Å²	43.9	83%	0.832	26%	0.259	S	S	*	.	S	Bend	trans	-75.1	-14.9	169.5	54.1	0	0	0	0	113.2
301	D	81.2	Confident	87.1	Confident	112 Å²	112	44.7 Å²	44.7	60%	0.599	27%	0.265	S	S	*	.	S	Bend	trans	-108.2	154.3	-176.9	-61.2	-41.6	0	0	0	110.2	T299	T299-D301 PolarHBondContact O-N 3.43Å; T299-D301 PolarHBondContact OG1-O 3.2Å
302	P	88.4	Confident	86.9	Confident	58 Å²	58	47.2 Å²	47.2	38%	0.377	28%	0.283	S	S	.	.			trans	-57.3	149.6	172.8	-23.8	34	0	0	0	112.5	Q306 N307	P302-Q306 HydrophobicContact CB-CB 4.14Å; P302-Q306 HydrophobicContact CB-CG 4.11Å; P302-N307 PolarHBondContact O-ND2 2.83Å
303	S	92.9	Very high	86.6	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.021	26%	0.263	C	S	.	.			trans	-58.1	160	174.1	75.1	0	0	0	0	112.1	K292 L294 D295 F305 Q306 N307	K292-S303 WeakPolarHBondContact O-CA 3.1Å; L294-S303 VanDerWaalsContact C-CB 3.47Å; L294-S303 WeakPolarHBondContact O-CB 3.29Å; L294-S303 PolarHBondContact O-OG 2.89Å; D295-S303 WeakPolarHBondContact O-CB 3.44Å; S303-F305 VanDerWaalsContact C-N 3.26Å; S303-F305 PolarHBondContact O-N 2.9Å; S303-Q306 PolarHBondContact O-N 3.42Å; S303-Q306 PolarHBondContact OG-N 2.85Å; S303-Q306 VanDerWaalsContact OG-N 3.12Å; S303-N307 WeakPolarHBondContact O-CB 3.5Å; S303-N307 PolarHBondContact O-N 2.81Å; S303-N307 PolarHBondContact O-ND2 3.31Å; S303-N307 VanDerWaalsContact O-ND2 3.12Å
304	Y	95	Very high	86.4	Confident	54 Å²	54	43.5 Å²	43.5	21%	0.212	27%	0.266	C	S	.	.	H	α-helix	trans	-57.9	-42.7	174.3	-175.3	-94	0	0	0	111.3	Q263 Y266 F267 K292 L293 Q306 N307 V308	Q263-Y304 WeakPolarHBondContact CA-OH 3.29Å; Y266-Y304 AromaticContact CD1-CD1 3.81Å; Y266-Y304 HydrophobicContact CD1-CD1 3.81Å; Y266-Y304 AromaticContact CD1-CD2 3.84Å; Y266-Y304 HydrophobicContact CD1-CD2 3.84Å; Y266-Y304 AromaticContact CD1-CE1 3.5Å; Y266-Y304 HydrophobicContact CD1-CE1 3.5Å; Y266-Y304 VanDerWaalsContact CD1-CE1 3.5Å; Y266-Y304 AromaticContact CD1-CE2 3.52Å; Y266-Y304 HydrophobicContact CD1-CE2 3.52Å; Y266-Y304 AromaticContact CD1-CG 3.96Å; Y266-Y304 HydrophobicContact CD1-CG 3.96Å; Y266-Y304 AromaticContact CD1-CZ 3.32Å; Y266-Y304 AromaticContact CE1-CD1 3.85Å; Y266-Y304 HydrophobicContact CE1-CD1 3.85Å; Y266-Y304 AromaticContact CE1-CD2 3.41Å; Y266-Y304 HydrophobicContact CE1-CD2 3.41Å; Y266-Y304 VanDerWaalsContact CE1-CD2 3.41Å; Y266-Y304 AromaticContact CE1-CE1 4Å; Y266-Y304 HydrophobicContact CE1-CE1 4Å; Y266-Y304 AromaticContact CE1-CE2 3.56Å; Y266-Y304 HydrophobicContact CE1-CE2 3.56Å; Y266-Y304 AromaticContact CE1-CG 3.55Å; Y266-Y304 HydrophobicContact CE1-CG 3.55Å; Y266-Y304 AromaticContact CE1-CZ 3.84Å; Y266-Y304 HydrophobicContact CG-CE1 4.46Å; Y266-Y304 HydrophobicContact CG-CE2 4.19Å; Y266-Y304 AromaticContact CG-CZ 3.98Å; F267-Y304 AromaticContact CD2-CD1 3.75Å; F267-Y304 HydrophobicContact CD2-CD1 3.75Å; F267-Y304 AromaticContact CD2-CE1 3.7Å; F267-Y304 HydrophobicContact CD2-CE1 3.7Å; F267-Y304 AromaticContact CE2-CD1 3.5Å; F267-Y304 HydrophobicContact CE2-CD1 3.5Å; F267-Y304 VanDerWaalsContact CE2-CD1 3.5Å; F267-Y304 AromaticContact CE2-CE1 3.85Å; F267-Y304 HydrophobicContact CE2-CE1 3.85Å; F267-Y304 HydrophobicContact CZ-CD1 4.46Å; K292-Y304 PolarHBondContact O-N 3.28Å; L293-Y304 HydrophobicContact CD1-CD1 4.12Å; L293-Y304 HydrophobicContact CD1-CG 4.41Å; Y304-Q306 PolarHBondContact O-N 3.08Å; Y304-N307 PolarHBondContact O-N 2.87Å; Y304-V308 HydrophobicContact CD1-CG1 4.1Å; Y304-V308 HydrophobicContact CD1-CG2 4.27Å; Y304-V308 HydrophobicContact CD2-CG1 4.36Å; Y304-V308 HydrophobicContact CE1-CB 4.46Å; Y304-V308 HydrophobicContact CE1-CG1 3.6Å; Y304-V308 HydrophobicContact CE1-CG2 4.09Å; Y304-V308 HydrophobicContact CE2-CG1 3.9Å; Y304-V308 HydrophobicContact CG-CG1 4.46Å; Y304-V308 VanDerWaalsContact O-CG2 3.32Å; Y304-V308 WeakPolarHBondContact O-CG2 3.26Å; Y304-V308 PolarHBondContact O-N 3.48Å
305	F	95	Very high	86.6	Confident	3 Å²	3	43.8 Å²	43.8	1%	0.013	27%	0.267	C	S	.	.	H	α-helix	trans	-53.5	-51.8	174.2	173.1	-95.1	0	0	0	112.1	L253 L258 F267 L293 L294 S303 N307 V308 T309 C311 I389	L253-F305 HydrophobicContact CD1-CD2 4.42Å; L253-F305 HydrophobicContact CD2-CD2 4.37Å; L253-F305 HydrophobicContact CD2-CE2 3.99Å; L258-F305 HydrophobicContact CD1-CE2 4.11Å; L258-F305 HydrophobicContact CD1-CZ 4.48Å; F267-F305 HydrophobicContact CZ-CB 4.27Å; L293-F305 WeakPolarHBondContact O-CB 3.19Å; L293-F305 PolarHBondContact O-N 2.89Å; L294-F305 HydrophobicContact CD2-CB 4.29Å; L294-F305 HydrophobicContact CD2-CD2 4.45Å; L294-F305 HydrophobicContact CD2-CG 4.5Å; S303-F305 VanDerWaalsContact C-N 3.26Å; S303-F305 PolarHBondContact O-N 2.9Å; F305-N307 VanDerWaalsContact C-N 3.33Å; F305-N307 PolarHBondContact O-N 3.41Å; F305-V308 WeakPolarHBondContact O-CG2 3.39Å; F305-V308 PolarHBondContact O-N 2.84Å; F305-T309 HydrophobicContact CD2-CG2 3.9Å; F305-T309 HydrophobicContact CE2-CG2 3.65Å; F305-T309 HydrophobicContact CG-CG2 4.46Å; F305-T309 HydrophobicContact CZ-CG2 4.01Å; F305-T309 WeakPolarHBondContact O-CB 3.47Å; F305-T309 WeakPolarHBondContact O-CG2 3.4Å; F305-T309 PolarHBondContact O-N 3.39Å; F305-T309 PolarHBondContact O-OG1 2.87Å; F305-C311 WeakPolarHBondContact CE1-O 3.41Å; F305-I389 HydrophobicContact CE2-CD1 4.23Å; F305-I389 HydrophobicContact CE2-CG2 4.22Å; F305-I389 HydrophobicContact CZ-CD1 3.8Å
306	Q	93.9	Very high	87.2	Confident	68 Å²	68	43 Å²	43	32%	0.318	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-41.4	-179.9	-177.1	177.3	-5.6	0	0	111.5	P302 S303 Y304 V308 G310	P302-Q306 HydrophobicContact CB-CB 4.14Å; P302-Q306 HydrophobicContact CB-CG 4.11Å; S303-Q306 PolarHBondContact O-N 3.42Å; S303-Q306 PolarHBondContact OG-N 2.85Å; S303-Q306 VanDerWaalsContact OG-N 3.12Å; Y304-Q306 PolarHBondContact O-N 3.08Å; Q306-V308 VanDerWaalsContact C-N 3.33Å; Q306-V308 PolarHBondContact O-N 2.92Å; Q306-G310 VanDerWaalsContact O-CA 3.32Å; Q306-G310 WeakPolarHBondContact O-CA 3.44Å; Q306-G310 PolarHBondContact O-N 3.26Å
307	N	94.3	Very high	87.9	Confident	103 Å²	103	45.8 Å²	45.8	55%	0.551	27%	0.272	S	S	*	.	H	α-helix	trans	-63.3	-36.6	179.8	-77.7	-41.4	0	0	0	113.2	P302 S303 Y304 F305	P302-N307 PolarHBondContact O-ND2 2.83Å; S303-N307 WeakPolarHBondContact O-CB 3.5Å; S303-N307 PolarHBondContact O-N 2.81Å; S303-N307 PolarHBondContact O-ND2 3.31Å; S303-N307 VanDerWaalsContact O-ND2 3.12Å; Y304-N307 PolarHBondContact O-N 2.87Å; F305-N307 VanDerWaalsContact C-N 3.33Å; F305-N307 PolarHBondContact O-N 3.41Å
308	V	95.6	Very high	89.1	Confident	35 Å²	35	50.5 Å²	50.5	21%	0.212	30%	0.296	C	S	.	.	H	α-helix	trans	-90	-26.2	-176.8	-60.3	0	0	0	0	114	L259 Q263 Y304 F305 Q306	L259-V308 HydrophobicContact CD2-CG2 3.56Å; Q263-V308 HydrophobicContact CG-CB 4.45Å; Q263-V308 HydrophobicContact CG-CG1 4.16Å; Y304-V308 HydrophobicContact CD1-CG1 4.1Å; Y304-V308 HydrophobicContact CD1-CG2 4.27Å; Y304-V308 HydrophobicContact CD2-CG1 4.36Å; Y304-V308 HydrophobicContact CE1-CB 4.46Å; Y304-V308 HydrophobicContact CE1-CG1 3.6Å; Y304-V308 HydrophobicContact CE1-CG2 4.09Å; Y304-V308 HydrophobicContact CE2-CG1 3.9Å; Y304-V308 HydrophobicContact CG-CG1 4.46Å; Y304-V308 VanDerWaalsContact O-CG2 3.32Å; Y304-V308 WeakPolarHBondContact O-CG2 3.26Å; Y304-V308 PolarHBondContact O-N 3.48Å; F305-V308 WeakPolarHBondContact O-CG2 3.39Å; F305-V308 PolarHBondContact O-N 2.84Å; Q306-V308 VanDerWaalsContact C-N 3.33Å; Q306-V308 PolarHBondContact O-N 2.92Å
309	T	93.6	Very high	90.2	Very high	31 Å²	31	52.4 Å²	52.4	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-96.4	-23.7	179.7	64.8	0	0	0	0	113.2	L258 F305 C311	L258-T309 HydrophobicContact CB-CG2 4.11Å; L258-T309 HydrophobicContact CD2-CG2 4.45Å; F305-T309 HydrophobicContact CD2-CG2 3.9Å; F305-T309 HydrophobicContact CE2-CG2 3.65Å; F305-T309 HydrophobicContact CG-CG2 4.46Å; F305-T309 HydrophobicContact CZ-CG2 4.01Å; F305-T309 WeakPolarHBondContact O-CB 3.47Å; F305-T309 WeakPolarHBondContact O-CG2 3.4Å; F305-T309 PolarHBondContact O-N 3.39Å; F305-T309 PolarHBondContact O-OG1 2.87Å; T309-C311 PolarHBondContact O-N 3.26Å; T309-C311 PolarHBondContact OG1-N 2.94Å; T309-C311 PolarHBondContact OG1-O 3.44Å
310	G	92.2	Very high	91.3	Very high	66 Å²	66	53.4 Å²	53.4	68%	0.68	31%	0.308	S	S	*	.	S	Bend	trans	73.9	6.1	-170.8	0	0	0	0	0	114.1	Q306	Q306-G310 VanDerWaalsContact O-CA 3.32Å; Q306-G310 WeakPolarHBondContact O-CA 3.44Å; Q306-G310 PolarHBondContact O-N 3.26Å
311	C	90.9	Very high	91.8	Very high	27 Å²	27	52.5 Å²	52.5	18%	0.182	30%	0.297	C	S	.	.			trans	-122.8	131.6	-175.1	-60.1	0	0	0	0	109.7	F305 T309 C320	F305-C311 WeakPolarHBondContact CE1-O 3.41Å; T309-C311 PolarHBondContact O-N 3.26Å; T309-C311 PolarHBondContact OG1-N 2.94Å; T309-C311 PolarHBondContact OG1-O 3.44Å; C311-C320 HydrophobicContact CB-CB 3.5Å; C311-C320 WeakPolarHBondContact CB-SG 3.3Å; C311-C320 WeakPolarHBondContact SG-CB 3.49Å; C311-C320 CovalentContact SG-SG 2.05Å; C311-C320 PolarHBondContact SG-SG 3.17Å
312	S	86.3	Confident	92.1	Very high	55 Å²	55	48.8 Å²	48.8	39%	0.385	28%	0.276	S	S	.	.			trans	-91.6	-20	177.9	59.5	0	0	0	0	112.5	Y314 C320	S312-Y314 PolarHBondContact O-N 3.18Å; S312-C320 PolarHBondContact N-O 3.28Å; S312-C320 PolarHBondContact OG-O 2.73Å
313	N	88.3	Confident	92.3	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.027	27%	0.266	C	S	.	.			trans	-84.2	112.4	178.9	-176	0.8	0	0	0	111.3	Y315 R319 C320 T321	N313-Y315 WeakPolarHBondContact OD1-CA 3.01Å; N313-Y315 VanDerWaalsContact OD1-CB 3.29Å; N313-Y315 WeakPolarHBondContact OD1-CB 3.17Å; N313-Y315 PolarHBondContact OD1-N 3.43Å; N313-R319 WeakPolarHBondContact CB-O 3.49Å; N313-C320 VanDerWaalsContact CB-C 3.47Å; N313-C320 WeakPolarHBondContact CB-O 3.43Å; N313-C320 PolarHBondContact N-O 2.78Å; N313-C320 VanDerWaalsContact N-O 3.14Å; N313-T321 PolarHBondContact ND2-O 2.68Å
314	Y	91.1	Very high	92.2	Very high	20 Å²	20	53 Å²	53	8%	0.078	29%	0.293	C	S	.	.			trans	-99.7	0.9	173.1	48.5	-111.1	0	0	0	113.4	D295 S312 I389 I390	D295-Y314 WeakPolarHBondContact OD1-CE1 3.26Å; S312-Y314 PolarHBondContact O-N 3.18Å; Y314-I389 VanDerWaalsContact O-CB 3.23Å; Y314-I389 WeakPolarHBondContact O-CB 3.42Å; Y314-I389 PolarHBondContact O-N 3.28Å; Y314-I389 VanDerWaalsContact O-N 3.09Å; Y314-I390 HydrophobicContact CD2-CB 3.53Å; Y314-I390 HydrophobicContact CD2-CD1 4.37Å; Y314-I390 HydrophobicContact CD2-CG1 4.06Å; Y314-I390 HydrophobicContact CD2-CG2 3.77Å; Y314-I390 HydrophobicContact CE2-CB 4Å; Y314-I390 HydrophobicContact CE2-CD1 4.38Å; Y314-I390 HydrophobicContact CE2-CG1 4.04Å; Y314-I390 HydrophobicContact CE2-CG2 4.12Å; Y314-I390 HydrophobicContact CG-CB 4.29Å; Y314-I390 PolarHBondContact O-N 3.5Å
315	Y	94.3	Very high	92.1	Very high	10 Å²	10	53.4 Å²	53.4	4%	0.039	30%	0.298	C	S	.	.	S	Bend	trans	-80.9	-21.5	179.3	-61.7	-54.2	0	0	0	113.5	F24 L27 N313 E322 I390 G447 H448	F24-Y315 WeakPolarHBondContact CD1-OH 3.24Å; F24-Y315 WeakPolarHBondContact CE1-OH 3.38Å; L27-Y315 HydrophobicContact CD1-CD2 4.26Å; L27-Y315 HydrophobicContact CD1-CE1 4.43Å; L27-Y315 HydrophobicContact CD1-CE2 3.42Å; L27-Y315 VanDerWaalsContact CD1-CE2 3.42Å; L27-Y315 WeakPolarHBondContact CD1-OH 3.04Å; L27-Y315 HydrophobicContact CD2-CE2 4.4Å; L27-Y315 HydrophobicContact CG-CE2 3.84Å; N313-Y315 WeakPolarHBondContact OD1-CA 3.01Å; N313-Y315 VanDerWaalsContact OD1-CB 3.29Å; N313-Y315 WeakPolarHBondContact OD1-CB 3.17Å; N313-Y315 PolarHBondContact OD1-N 3.43Å; Y315-E322 HydrophobicContact CD2-CG 4.32Å; Y315-E322 WeakPolarHBondContact CE2-OE1 3.35Å; Y315-I390 HydrophobicContact CD1-CG2 3.96Å; Y315-I390 HydrophobicContact CE1-CG2 4.07Å; Y315-G447 CarbonylContact O-C 3.49Å; Y315-G447 VanDerWaalsContact O-CA 3.27Å; Y315-G447 WeakPolarHBondContact O-CA 3.43Å; Y315-H448 HydrophobicContact CD1-CB 3.52Å; Y315-H448 AromaticContact CD1-CD2 3.31Å; Y315-H448 WeakPolarHBondContact CD1-CD2 3.37Å; Y315-H448 AromaticContact CD1-CG 3.48Å; Y315-H448 VanDerWaalsContact CD1-CG 3.48Å; Y315-H448 AromaticContact CE1-CD2 3.48Å; Y315-H448 VanDerWaalsContact CE1-CD2 3.48Å; Y315-H448 WeakPolarHBondContact CE1-CD2 3.37Å; Y315-H448 AromaticContact CE1-NE2 3.91Å; Y315-H448 HydrophobicContact CG-CB 4.05Å; Y315-H448 PolarHBondContact O-N 3.28Å
316	N	95.7	Very high	92.1	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.032	30%	0.299	C	S	.	.			trans	-156.1	109.5	175.4	-171.7	-41.7	0	0	0	109.2	L318 R319 L387 D453	N316-L318 PolarHBondContact O-N 3.48Å; N316-L318 WeakPolarHBondContact OD1-CB 3.4Å; N316-L318 PolarHBondContact OD1-N 3.3Å; N316-L318 VanDerWaalsContact OD1-N 3.08Å; N316-R319 PolarHBondContact O-N 2.97Å; N316-L387 WeakPolarHBondContact CA-O 3.37Å; N316-D453 PolarHBondContact ND2-OD2 3.24Å
317	F	93.9	Very high	91.9	Very high	72 Å²	72	52 Å²	52	32%	0.316	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-5.5	-174.3	63.1	-116.4	0	0	0	114.9	I256 R319 L387 I389	I256-F317 HydrophobicContact CD1-CD1 4.17Å; F317-R319 VanDerWaalsContact C-N 3.32Å; F317-L387 HydrophobicContact CD1-CB 4.3Å; F317-L387 WeakPolarHBondContact CD1-O 3.43Å; F317-L387 VanDerWaalsContact CE1-CA 3.43Å; F317-L387 HydrophobicContact CE1-CB 4.09Å; F317-L387 HydrophobicContact CE1-CD2 3.88Å; F317-L387 HydrophobicContact CE2-CD2 3.69Å; F317-L387 HydrophobicContact CZ-CB 4.28Å; F317-L387 HydrophobicContact CZ-CD2 3.26Å; F317-L387 HydrophobicContact CZ-CG 4.36Å; F317-L387 PolarHBondContact N-O 3.39Å; F317-L387 VanDerWaalsContact N-O 3.08Å; F317-I389 HydrophobicContact CB-CD1 3.58Å; F317-I389 HydrophobicContact CB-CG1 3.88Å; F317-I389 HydrophobicContact CD1-CG1 4.34Å
318	L	94.5	Very high	92	Very high	126 Å²	126	48.8 Å²	48.8	66%	0.66	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-9.6	170.6	-57.9	-176.6	0	0	0	113.2	N316 L387	N316-L318 PolarHBondContact O-N 3.48Å; N316-L318 WeakPolarHBondContact OD1-CB 3.4Å; N316-L318 PolarHBondContact OD1-N 3.3Å; N316-L318 VanDerWaalsContact OD1-N 3.08Å; L318-L387 HydrophobicContact CD1-CD1 3.51Å; L318-L387 HydrophobicContact CG-CD1 3.98Å
319	R	92.2	Very high	92	Very high	89 Å²	89	47.2 Å²	47.2	34%	0.336	26%	0.264	S	S	.	.			trans	-127.4	136.2	-176.7	-58.8	-178.9	-177.4	143.5	5	109.2	N313 N316 F317 D453	N313-R319 WeakPolarHBondContact CB-O 3.49Å; N316-R319 PolarHBondContact O-N 2.97Å; F317-R319 VanDerWaalsContact C-N 3.32Å; R319-D453 IonicContact CZ-OD1 2.93Å; R319-D453 IonicContact NH1-OD1 2.74Å; R319-D453 PolarHBondContact NH1-OD1 2.98Å; R319-D453 IonicContact NH2-OD1 3.98Å; R319-D453 PolarHBondContact NH2-OD1 3.12Å; R319-D453 VanDerWaalsContact NH2-OD1 3.12Å
320	C	89.4	Confident	91.9	Very high	60 Å²	60	46 Å²	46	41%	0.405	26%	0.257	S	S	.	.	S	Bend	trans	-94.4	-12.7	175.6	-64.3	0	0	0	0	113.6	C311 S312 N313	C311-C320 HydrophobicContact CB-CB 3.5Å; C311-C320 WeakPolarHBondContact CB-SG 3.3Å; C311-C320 WeakPolarHBondContact SG-CB 3.49Å; C311-C320 CovalentContact SG-SG 2.05Å; C311-C320 PolarHBondContact SG-SG 3.17Å; S312-C320 PolarHBondContact N-O 3.28Å; S312-C320 PolarHBondContact OG-O 2.73Å; N313-C320 VanDerWaalsContact CB-C 3.47Å; N313-C320 WeakPolarHBondContact CB-O 3.43Å; N313-C320 PolarHBondContact N-O 2.78Å; N313-C320 VanDerWaalsContact N-O 3.14Å
321	T	88.6	Confident	92	Very high	100 Å²	100	47.5 Å²	47.5	61%	0.613	24%	0.244	S	C	*	.	S	Bend	trans	-132.2	158.1	175.8	60.4	0	0	0	0	110	N313	N313-T321 PolarHBondContact ND2-O 2.68Å
322	E	87.9	Confident	92.2	Very high	33 Å²	33	46.2 Å²	46.2	15%	0.154	24%	0.235	C	C	.	.			trans	-74.4	148.7	173	-73.5	166.1	-152.5	0	0	111.6	S26 L27 Y315	S26-E322 WeakPolarHBondContact CB-OE1 3.5Å; S26-E322 VanDerWaalsContact O-OE2 3.13Å; S26-E322 PolarHBondContact OG-OE1 2.97Å; S26-E322 PolarHBondContact OG-OE2 2.77Å; S26-E322 VanDerWaalsContact OG-OE2 3.11Å; L27-E322 HydrophobicContact CD2-CG 4.39Å; L27-E322 WeakPolarHBondContact CD2-OE2 3.25Å; L27-E322 WeakPolarHBondContact CG-OE2 3.3Å; Y315-E322 HydrophobicContact CD2-CG 4.32Å; Y315-E322 WeakPolarHBondContact CE2-OE1 3.35Å
323	P	92	Very high	92.7	Very high	24 Å²	24	43.6 Å²	43.6	16%	0.156	22%	0.217	C	C	.	.			trans	-64.1	133.2	172	-19.3	32.2	0	0	0	112.2	D325 Q326 Y452	P323-D325 VanDerWaalsContact C-N 3.25Å; P323-D325 WeakPolarHBondContact CB-OD1 3.31Å; P323-D325 PolarHBondContact O-N 3.35Å; P323-Q326 HydrophobicContact CB-CG 4.15Å; P323-Q326 HydrophobicContact CG-CG 4.4Å; P323-Q326 WeakPolarHBondContact O-CB 3.37Å; P323-Q326 PolarHBondContact O-N 2.8Å; P323-Y452 WeakPolarHBondContact CB-OH 3.07Å; P323-Y452 HydrophobicContact CG-CE1 4.03Å
324	E	91.4	Very high	92.9	Very high	127 Å²	127	44.2 Å²	44.2	59%	0.593	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-63	-31.3	-175.7	-164.8	-164.4	157.8	0	0	113.2	Q326 L327 Y328	E324-Q326 PolarHBondContact O-N 3.27Å; E324-L327 PolarHBondContact O-N 3.11Å; E324-Y328 HydrophobicContact CG-CE1 4.1Å
325	D	93.8	Very high	93.1	Very high	61 Å²	61	45.1 Å²	45.1	33%	0.326	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-65.8	-22	-178.9	62.9	-39.9	0	0	0	113	P323 L327 Y328 Y452	P323-D325 VanDerWaalsContact C-N 3.25Å; P323-D325 WeakPolarHBondContact CB-OD1 3.31Å; P323-D325 PolarHBondContact O-N 3.35Å; D325-L327 PolarHBondContact O-N 3.36Å; D325-L327 VanDerWaalsContact O-N 3.14Å; D325-Y328 HydrophobicContact CB-CD2 3.91Å; D325-Y328 HydrophobicContact CB-CE2 3.76Å; D325-Y328 HydrophobicContact CB-CG 4.47Å; D325-Y328 WeakPolarHBondContact O-CB 3.16Å; D325-Y328 PolarHBondContact O-N 3.19Å; D325-Y328 VanDerWaalsContact O-N 3.12Å; D325-Y452 PolarHBondContact OD1-OH 3.43Å; D325-Y452 PolarHBondContact OD2-OH 3.49Å
326	Q	93.6	Very high	93.1	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.023	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-62.5	-17.7	172	-61.3	-171.2	-8.9	0	0	112.8	F118 V122 P323 E324 Y329 Y452	F118-Q326 HydrophobicContact CE2-CB 4.08Å; F118-Q326 HydrophobicContact CZ-CB 4.43Å; V122-Q326 HydrophobicContact CG1-CB 4.24Å; V122-Q326 HydrophobicContact CG1-CG 3.76Å; V122-Q326 HydrophobicContact CG2-CB 4.46Å; P323-Q326 HydrophobicContact CB-CG 4.15Å; P323-Q326 HydrophobicContact CG-CG 4.4Å; P323-Q326 WeakPolarHBondContact O-CB 3.37Å; P323-Q326 PolarHBondContact O-N 2.8Å; E324-Q326 PolarHBondContact O-N 3.27Å; Q326-Y329 WeakPolarHBondContact O-CD1 3.39Å; Q326-Y329 WeakPolarHBondContact O-CE1 3.14Å; Q326-Y452 HydrophobicContact CG-CE2 4.4Å
327	L	91.3	Very high	93	Very high	36 Å²	36	50.2 Å²	50.2	19%	0.188	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-99.1	-2.3	178	-63.5	177	0	0	0	113.8	L27 E324 D325 Y329 V330	L27-L327 WeakPolarHBondContact O-CD2 3.44Å; E324-L327 PolarHBondContact O-N 3.11Å; D325-L327 PolarHBondContact O-N 3.36Å; D325-L327 VanDerWaalsContact O-N 3.14Å; L327-Y329 VanDerWaalsContact C-N 3.31Å; L327-Y329 PolarHBondContact O-N 3.07Å; L327-V330 PolarHBondContact O-N 3.33Å
328	Y	95.3	Very high	93.1	Very high	37 Å²	37	46.8 Å²	46.8	15%	0.145	24%	0.239	C	C	.	.	H	α-helix	trans	-67.6	-32.2	-176.2	-69	-4.3	0	0	0	112.6	S131 E324 D325 V330 K331 L332	S131-Y328 VanDerWaalsContact CA-CE2 3.4Å; E324-Y328 HydrophobicContact CG-CE1 4.1Å; D325-Y328 HydrophobicContact CB-CD2 3.91Å; D325-Y328 HydrophobicContact CB-CE2 3.76Å; D325-Y328 HydrophobicContact CB-CG 4.47Å; D325-Y328 WeakPolarHBondContact O-CB 3.16Å; D325-Y328 PolarHBondContact O-N 3.19Å; D325-Y328 VanDerWaalsContact O-N 3.12Å; Y328-V330 VanDerWaalsContact C-N 3.31Å; Y328-V330 PolarHBondContact O-N 3.21Å; Y328-K331 WeakPolarHBondContact O-CB 3.37Å; Y328-K331 PolarHBondContact O-N 3.28Å; Y328-L332 PolarHBondContact O-N 3.13Å
329	Y	95.6	Very high	93.3	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-36.6	179.8	82	-80.8	0	0	0	112.8	Y28 M117 F118 F121 V122 Q326 L327 K331 L332 L333 F349	Y28-Y329 WeakPolarHBondContact CD1-OH 3.22Å; M117-Y329 HydrophobicContact CB-CD2 4.11Å; M117-Y329 HydrophobicContact CB-CE2 4.07Å; F118-Y329 HydrophobicContact CB-CE1 4.47Å; F118-Y329 AromaticContact CD2-CE1 3.7Å; F118-Y329 HydrophobicContact CD2-CE1 3.7Å; F121-Y329 VanDerWaalsContact CB-CB 3.48Å; F121-Y329 HydrophobicContact CB-CG 4.16Å; F121-Y329 HydrophobicContact CD2-CD2 4.09Å; F121-Y329 HydrophobicContact CD2-CG 4.22Å; V122-Y329 HydrophobicContact CG2-CD1 4.01Å; V122-Y329 HydrophobicContact CG2-CE1 4.41Å; Q326-Y329 WeakPolarHBondContact O-CD1 3.39Å; Q326-Y329 WeakPolarHBondContact O-CE1 3.14Å; L327-Y329 VanDerWaalsContact C-N 3.31Å; L327-Y329 PolarHBondContact O-N 3.07Å; Y329-K331 VanDerWaalsContact C-N 3.28Å; Y329-K331 PolarHBondContact O-N 3.05Å; Y329-L332 WeakPolarHBondContact O-CB 3.49Å; Y329-L332 PolarHBondContact O-N 2.9Å; Y329-L332 VanDerWaalsContact O-N 3.17Å; Y329-L333 HydrophobicContact CD2-CD1 3.81Å; Y329-L333 HydrophobicContact CE2-CD1 4.26Å; Y329-L333 WeakPolarHBondContact O-CB 3.39Å; Y329-L333 VanDerWaalsContact O-CG 3.29Å; Y329-L333 WeakPolarHBondContact O-CG 3.27Å; Y329-L333 PolarHBondContact O-N 3.03Å; Y329-F349 HydrophobicContact CE2-CE1 4.29Å; Y329-F349 AromaticContact CE2-CZ 3.95Å; Y329-F349 HydrophobicContact CE2-CZ 3.95Å
330	V	92.8	Very high	93.5	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-42.2	176.8	-171.3	0	0	0	0	110.3	R29 V31 L327 Y328 L333 S334 F349	R29-V330 WeakPolarHBondContact O-CG1 3.15Å; V31-V330 HydrophobicContact CB-CG1 4.43Å; V31-V330 HydrophobicContact CG2-CG1 3.47Å; V31-V330 VanDerWaalsContact CG2-CG1 3.47Å; L327-V330 PolarHBondContact O-N 3.33Å; Y328-V330 VanDerWaalsContact C-N 3.31Å; Y328-V330 PolarHBondContact O-N 3.21Å; V330-L333 PolarHBondContact O-N 2.93Å; V330-S334 PolarHBondContact O-N 2.84Å; V330-F349 HydrophobicContact CG1-CD1 4.2Å; V330-F349 HydrophobicContact CG1-CE1 4.32Å; V330-F349 HydrophobicContact CG2-CE1 4.48Å
331	K	93.6	Very high	93.8	Very high	96 Å²	96	38.5 Å²	38.5	42%	0.417	20%	0.196	S	C	.	.	H	α-helix	trans	-65.8	-41.1	176.3	-63.2	176.3	-174.9	169.4	0	111.2	L133 Y328 Y329 S334	L133-K331 HydrophobicContact CD1-CB 4.1Å; L133-K331 HydrophobicContact CD2-CB 3.6Å; L133-K331 HydrophobicContact CD2-CD 4.39Å; Y328-K331 WeakPolarHBondContact O-CB 3.37Å; Y328-K331 PolarHBondContact O-N 3.28Å; Y329-K331 VanDerWaalsContact C-N 3.28Å; Y329-K331 PolarHBondContact O-N 3.05Å; K331-S334 WeakPolarHBondContact O-CB 3.32Å; K331-S334 PolarHBondContact O-N 3.36Å; K331-S334 PolarHBondContact O-OG 3.3Å
332	L	95.3	Very high	94.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-48	174.7	-179.4	76.3	0	0	0	111.4	L67 F121 V129 L133 L135 Y328 Y329 S334 L335 V338	L67-L332 HydrophobicContact CD1-CD1 3.71Å; F121-L332 HydrophobicContact CE1-CD2 3.99Å; F121-L332 HydrophobicContact CZ-CD2 4.13Å; V129-L332 HydrophobicContact CG1-CB 4Å; V129-L332 HydrophobicContact CG1-CD2 4.15Å; V129-L332 HydrophobicContact CG2-CD2 3.87Å; L133-L332 HydrophobicContact CB-CD1 4.29Å; L133-L332 WeakPolarHBondContact O-CD1 3.36Å; L135-L332 HydrophobicContact CD2-CD2 3.56Å; L135-L332 HydrophobicContact CG-CD2 4.14Å; Y328-L332 PolarHBondContact O-N 3.13Å; Y329-L332 WeakPolarHBondContact O-CB 3.49Å; Y329-L332 PolarHBondContact O-N 2.9Å; Y329-L332 VanDerWaalsContact O-N 3.17Å; L332-S334 PolarHBondContact O-N 3.17Å; L332-S334 VanDerWaalsContact O-N 3.11Å; L332-L335 HydrophobicContact CD1-CD1 4.18Å; L332-L335 WeakPolarHBondContact O-CB 3.36Å; L332-L335 WeakPolarHBondContact O-CG 3.35Å; L332-L335 PolarHBondContact O-N 3.22Å; L332-V338 HydrophobicContact CD1-CG2 4.05Å; L332-V338 HydrophobicContact CG-CG2 4.18Å; L332-V338 WeakPolarHBondContact O-CG2 3.47Å
333	L	95.5	Very high	94.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-12	179.1	-69	178.1	0	0	0	113.8	M117 F121 F159 Y329 V330 V338 R339 I342 F349	M117-L333 HydrophobicContact CB-CD1 3.97Å; M117-L333 HydrophobicContact CG-CD1 4.08Å; F121-L333 HydrophobicContact CE2-CD1 4.49Å; F121-L333 HydrophobicContact CE2-CD2 4.07Å; F121-L333 HydrophobicContact CE2-CG 4.36Å; F159-L333 HydrophobicContact CE2-CB 4.5Å; F159-L333 HydrophobicContact CE2-CD1 4.19Å; F159-L333 HydrophobicContact CE2-CD2 4.13Å; F159-L333 HydrophobicContact CZ-CB 4.21Å; Y329-L333 HydrophobicContact CD2-CD1 3.81Å; Y329-L333 HydrophobicContact CE2-CD1 4.26Å; Y329-L333 WeakPolarHBondContact O-CB 3.39Å; Y329-L333 VanDerWaalsContact O-CG 3.29Å; Y329-L333 WeakPolarHBondContact O-CG 3.27Å; Y329-L333 PolarHBondContact O-N 3.03Å; V330-L333 PolarHBondContact O-N 2.93Å; L333-V338 HydrophobicContact CD2-CG1 4.07Å; L333-R339 WeakPolarHBondContact O-CD 3.42Å; L333-R339 WeakPolarHBondContact O-CG 3.37Å; L333-I342 HydrophobicContact CD2-CD1 3.88Å; L333-F349 HydrophobicContact CD1-CD2 4.17Å; L333-F349 HydrophobicContact CD1-CE2 3.62Å; L333-F349 HydrophobicContact CD1-CZ 3.87Å
334	S	93.3	Very high	95.1	Very high	18 Å²	18	32.7 Å²	32.7	13%	0.126	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.8	172.6	80.9	0	0	0	0	113.7	V330 K331 L332	V330-S334 PolarHBondContact O-N 2.84Å; K331-S334 WeakPolarHBondContact O-CB 3.32Å; K331-S334 PolarHBondContact O-N 3.36Å; K331-S334 PolarHBondContact O-OG 3.3Å; L332-S334 PolarHBondContact O-N 3.17Å; L332-S334 VanDerWaalsContact O-N 3.11Å
335	L	94.4	Very high	95.2	Very high	39 Å²	39	26.6 Å²	26.6	20%	0.204	13%	0.131	C	C	.	.	S	Bend	trans	-71	130.9	-174.3	-61.6	179.2	0	0	0	111	L67 L133 L332 E337 V338 R339	L67-L335 HydrophobicContact CD1-CD1 3.56Å; L133-L335 HydrophobicContact CB-CD1 4.26Å; L332-L335 HydrophobicContact CD1-CD1 4.18Å; L332-L335 WeakPolarHBondContact O-CB 3.36Å; L332-L335 WeakPolarHBondContact O-CG 3.35Å; L332-L335 PolarHBondContact O-N 3.22Å; L335-E337 VanDerWaalsContact C-N 3.31Å; L335-E337 HydrophobicContact CB-CG 4.43Å; L335-E337 PolarHBondContact O-N 2.95Å; L335-V338 HydrophobicContact CB-CB 4.22Å; L335-V338 HydrophobicContact CB-CG2 3.81Å; L335-V338 HydrophobicContact CD1-CG2 4.24Å; L335-V338 WeakPolarHBondContact O-CB 3.44Å; L335-V338 PolarHBondContact O-N 3.49Å; L335-V338 VanDerWaalsContact O-N 3.11Å; L335-R339 VanDerWaalsContact O-CG 3.3Å; L335-R339 WeakPolarHBondContact O-CG 3.35Å; L335-R339 PolarHBondContact O-N 2.87Å
336	P	94.4	Very high	95.2	Very high	23 Å²	23	28.1 Å²	28.1	15%	0.149	14%	0.139	C	C	.	.	H	α-helix	trans	-54.9	-41.5	-178.7	-28.2	34.6	0	0	0	114.2	P34 P35 D38 V338 R339 Q340	P34-P336 HydrophobicContact CB-CG 4.37Å; P35-P336 WeakPolarHBondContact O-CG 3.33Å; D38-P336 WeakPolarHBondContact O-CB 3.16Å; P336-V338 PolarHBondContact O-N 3.37Å; P336-R339 PolarHBondContact O-N 2.87Å; P336-Q340 WeakPolarHBondContact O-CB 3.46Å; P336-Q340 PolarHBondContact O-N 3.29Å
337	E	94.9	Very high	95.2	Very high	99 Å²	99	31 Å²	31	46%	0.463	15%	0.15	S	C	.	.	H	α-helix	trans	-64.6	-37.2	178.9	66.8	-167.6	169.2	0	0	112.8	L67 L335 A341	L67-E337 HydrophobicContact CD1-CG 4.4Å; L67-E337 WeakPolarHBondContact CD1-OE1 3.13Å; L67-E337 WeakPolarHBondContact CD2-OE1 3.42Å; L335-E337 VanDerWaalsContact C-N 3.31Å; L335-E337 HydrophobicContact CB-CG 4.43Å; L335-E337 PolarHBondContact O-N 2.95Å; E337-A341 VanDerWaalsContact O-CB 3.32Å; E337-A341 WeakPolarHBondContact O-CB 3.35Å; E337-A341 PolarHBondContact O-N 3.02Å
338	V	96.3	Very high	95.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66	-48.9	175.1	176.8	0	0	0	0	109.2	F66 L67 L332 L333 L335 P336 Q340 A341 I342	F66-V338 HydrophobicContact CD2-CB 4.35Å; F66-V338 HydrophobicContact CD2-CG1 4.39Å; F66-V338 HydrophobicContact CD2-CG2 3.66Å; F66-V338 HydrophobicContact CE2-CB 4.24Å; F66-V338 HydrophobicContact CE2-CG1 3.79Å; F66-V338 HydrophobicContact CE2-CG2 3.77Å; F66-V338 HydrophobicContact CG-CG2 4.44Å; F66-V338 HydrophobicContact CZ-CG1 3.9Å; L67-V338 HydrophobicContact CD1-CG2 3.68Å; L332-V338 HydrophobicContact CD1-CG2 4.05Å; L332-V338 HydrophobicContact CG-CG2 4.18Å; L332-V338 WeakPolarHBondContact O-CG2 3.47Å; L333-V338 HydrophobicContact CD2-CG1 4.07Å; L335-V338 HydrophobicContact CB-CB 4.22Å; L335-V338 HydrophobicContact CB-CG2 3.81Å; L335-V338 HydrophobicContact CD1-CG2 4.24Å; L335-V338 WeakPolarHBondContact O-CB 3.44Å; L335-V338 PolarHBondContact O-N 3.49Å; L335-V338 VanDerWaalsContact O-N 3.11Å; P336-V338 PolarHBondContact O-N 3.37Å; V338-Q340 VanDerWaalsContact C-N 3.33Å; V338-Q340 PolarHBondContact O-N 3.37Å; V338-A341 PolarHBondContact O-N 3.11Å; V338-A341 VanDerWaalsContact O-N 3.14Å; V338-I342 WeakPolarHBondContact O-CG1 3.46Å; V338-I342 PolarHBondContact O-N 2.86Å
339	R	97.1	Very high	95.2	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-38.4	-178.6	-65.9	173.3	65.7	81.2	19.4	113	L333 L335 P336 H343 V344 G345 R347	L333-R339 WeakPolarHBondContact O-CD 3.42Å; L333-R339 WeakPolarHBondContact O-CG 3.37Å; L335-R339 VanDerWaalsContact O-CG 3.3Å; L335-R339 WeakPolarHBondContact O-CG 3.35Å; L335-R339 PolarHBondContact O-N 2.87Å; P336-R339 PolarHBondContact O-N 2.87Å; R339-H343 PolarHBondContact O-N 3.11Å; R339-V344 HydrophobicContact CB-CG2 3.7Å; R339-V344 HydrophobicContact CG-CG2 3.97Å; R339-V344 WeakPolarHBondContact O-CG2 3.3Å; R339-V344 PolarHBondContact O-N 3.4Å; R339-G345 VanDerWaalsContact CZ-O 3.28Å; R339-G345 PolarHBondContact NE-O 3.38Å; R339-G345 PolarHBondContact NH2-O 3.27Å; R339-R347 PolarHBondContact NH1-O 2.85Å; R339-R347 PolarHBondContact NH2-O 3.4Å
340	Q	96.3	Very high	95.1	Very high	94 Å²	94	32.6 Å²	32.6	44%	0.439	16%	0.163	S	C	.	.	H	α-helix	trans	-64.6	-46.2	173.2	-175.5	177.5	26.1	0	0	110.7	S39 P336 V338 I342 H343	S39-Q340 VanDerWaalsContact O-CA 3.26Å; S39-Q340 WeakPolarHBondContact O-CA 3.29Å; S39-Q340 PolarHBondContact O-N 3.26Å; P336-Q340 WeakPolarHBondContact O-CB 3.46Å; P336-Q340 PolarHBondContact O-N 3.29Å; V338-Q340 VanDerWaalsContact C-N 3.33Å; V338-Q340 PolarHBondContact O-N 3.37Å; Q340-I342 VanDerWaalsContact C-N 3.32Å; Q340-I342 PolarHBondContact O-N 3.46Å; Q340-H343 PolarHBondContact O-N 3.48Å
341	A	97.4	Very high	94.8	Very high	6 Å²	6	33.7 Å²	33.7	5%	0.05	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-34.4	-177.6	0	0	0	0	0	113.5	V63 F66 E337 V338 H343	V63-A341 WeakPolarHBondContact CA-O 3.47Å; V63-A341 HydrophobicContact CG1-CB 4.44Å; F66-A341 HydrophobicContact CB-CB 4.44Å; F66-A341 HydrophobicContact CD1-CB 3.38Å; F66-A341 HydrophobicContact CE1-CB 3.94Å; F66-A341 HydrophobicContact CG-CB 4.2Å; E337-A341 VanDerWaalsContact O-CB 3.32Å; E337-A341 WeakPolarHBondContact O-CB 3.35Å; E337-A341 PolarHBondContact O-N 3.02Å; V338-A341 PolarHBondContact O-N 3.11Å; V338-A341 VanDerWaalsContact O-N 3.14Å; A341-H343 PolarHBondContact O-NE2 3.41Å
342	I	98.1	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	8.7	179.4	72	173.9	0	0	0	113.5	V63 F66 A75 F89 W91 F159 L333 V338 Q340 V344	V63-I342 HydrophobicContact CG1-CG2 4.06Å; F66-I342 HydrophobicContact CE1-CG2 3.93Å; F66-I342 HydrophobicContact CZ-CG2 4.29Å; A75-I342 HydrophobicContact CB-CB 4.25Å; A75-I342 WeakPolarHBondContact CB-O 3.5Å; F89-I342 HydrophobicContact CZ-CB 4.45Å; F89-I342 HydrophobicContact CZ-CD1 4.12Å; F89-I342 HydrophobicContact CZ-CG1 4.48Å; W91-I342 HydrophobicContact CD2-CG2 4.43Å; W91-I342 HydrophobicContact CE3-CG2 4.23Å; W91-I342 HydrophobicContact CH2-CG2 3.47Å; W91-I342 VanDerWaalsContact CH2-CG2 3.47Å; W91-I342 HydrophobicContact CZ2-CG2 3.6Å; W91-I342 HydrophobicContact CZ3-CD1 4.37Å; W91-I342 HydrophobicContact CZ3-CG2 3.78Å; F159-I342 HydrophobicContact CD2-CD1 4.41Å; F159-I342 HydrophobicContact CE2-CD1 3.71Å; F159-I342 HydrophobicContact CZ-CD1 4.32Å; L333-I342 HydrophobicContact CD2-CD1 3.88Å; V338-I342 WeakPolarHBondContact O-CG1 3.46Å; V338-I342 PolarHBondContact O-N 2.86Å; Q340-I342 VanDerWaalsContact C-N 3.32Å; Q340-I342 PolarHBondContact O-N 3.46Å; I342-V344 HydrophobicContact CD1-CG1 3.94Å; I342-V344 HydrophobicContact CD1-CG2 3.94Å; I342-V344 HydrophobicContact CG1-CB 4.35Å; I342-V344 HydrophobicContact CG1-CG1 3.85Å; I342-V344 HydrophobicContact CG1-CG2 3.75Å; I342-V344 PolarHBondContact O-N 3.17Å
343	H	98.3	Very high	94.3	Very high	34 Å²	34	30.7 Å²	30.7	16%	0.157	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	35.2	173.3	-45.5	-68.6	0	0	0	115.2	P42 L43 L60 L62 A75 R339 Q340 A341	P42-H343 VanDerWaalsContact CA-O 3.28Å; P42-H343 WeakPolarHBondContact CA-O 3.47Å; L43-H343 HydrophobicContact CB-CB 3.56Å; L43-H343 HydrophobicContact CD2-CB 4.39Å; L43-H343 PolarHBondContact N-O 3.03Å; L60-H343 PolarHBondContact O-CE1 2.99Å; L60-H343 PolarHBondContact O-NE2 3.38Å; L62-H343 PolarHBondContact O-NE2 3.26Å; A75-H343 PolarHBondContact O-CD2 3.17Å; R339-H343 PolarHBondContact O-N 3.11Å; Q340-H343 PolarHBondContact O-N 3.48Å; A341-H343 PolarHBondContact O-NE2 3.41Å
344	V	97.7	Very high	94.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.			trans	-97.4	-9.9	177.8	-63.6	0	0	0	0	113.6	F77 F89 F159 R339 I342 N346 R347	F77-V344 HydrophobicContact CE2-CB 4.46Å; F77-V344 HydrophobicContact CE2-CG1 4.3Å; F77-V344 HydrophobicContact CZ-CB 4.36Å; F77-V344 HydrophobicContact CZ-CG1 4.11Å; F89-V344 HydrophobicContact CD2-CG1 3.67Å; F89-V344 HydrophobicContact CE2-CG1 3.31Å; F89-V344 HydrophobicContact CG-CG1 4.47Å; F89-V344 HydrophobicContact CZ-CG1 3.85Å; F159-V344 HydrophobicContact CB-CG1 4.16Å; F159-V344 HydrophobicContact CD1-CB 4Å; F159-V344 HydrophobicContact CD1-CG1 4.08Å; F159-V344 HydrophobicContact CD1-CG2 4.24Å; F159-V344 HydrophobicContact CD2-CB 4.4Å; F159-V344 HydrophobicContact CD2-CG1 3.68Å; F159-V344 HydrophobicContact CE1-CB 4.13Å; F159-V344 HydrophobicContact CE1-CG1 4.42Å; F159-V344 HydrophobicContact CE1-CG2 3.84Å; F159-V344 HydrophobicContact CE2-CB 4.5Å; F159-V344 HydrophobicContact CE2-CG1 4.03Å; F159-V344 HydrophobicContact CE2-CG2 4.2Å; F159-V344 HydrophobicContact CG-CB 4.15Å; F159-V344 HydrophobicContact CG-CG1 3.7Å; F159-V344 HydrophobicContact CZ-CB 4.37Å; F159-V344 HydrophobicContact CZ-CG1 4.39Å; F159-V344 HydrophobicContact CZ-CG2 3.81Å; R339-V344 HydrophobicContact CB-CG2 3.7Å; R339-V344 HydrophobicContact CG-CG2 3.97Å; R339-V344 WeakPolarHBondContact O-CG2 3.3Å; R339-V344 PolarHBondContact O-N 3.4Å; I342-V344 HydrophobicContact CD1-CG1 3.94Å; I342-V344 HydrophobicContact CD1-CG2 3.94Å; I342-V344 HydrophobicContact CG1-CB 4.35Å; I342-V344 HydrophobicContact CG1-CG1 3.85Å; I342-V344 HydrophobicContact CG1-CG2 3.75Å; I342-V344 PolarHBondContact O-N 3.17Å; V344-N346 PolarHBondContact O-N 3.22Å; V344-R347 WeakPolarHBondContact O-CB 3.45Å; V344-R347 VanDerWaalsContact O-CG 3.31Å; V344-R347 WeakPolarHBondContact O-CG 3.4Å; V344-R347 PolarHBondContact O-N 3.12Å
345	G	95.1	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	-133.8	178.8	0	0	0	0	0	111.9	S39 G40 R339	S39-G345 WeakPolarHBondContact CB-O 3.33Å; S39-G345 VanDerWaalsContact O-CA 3.24Å; S39-G345 WeakPolarHBondContact O-CA 3.08Å; G40-G345 WeakPolarHBondContact O-CA 3.29Å; R339-G345 VanDerWaalsContact CZ-O 3.28Å; R339-G345 PolarHBondContact NE-O 3.38Å; R339-G345 PolarHBondContact NH2-O 3.27Å
346	N	92.6	Very high	94.2	Very high	93 Å²	93	31.4 Å²	31.4	50%	0.497	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	12.4	176.4	68.6	-12.3	0	0	0	114.4	V344	V344-N346 PolarHBondContact O-N 3.22Å
347	R	93.5	Very high	94.1	Very high	65 Å²	65	36.9 Å²	36.9	25%	0.245	19%	0.185	C	C	.	.			trans	-59.5	135.1	-178.9	-67	-67.9	177.5	179.4	-0.7	112.9	P42 F77 F161 R339 V344 F349	P42-R347 HydrophobicContact CB-CG 4.29Å; F77-R347 HydrophobicContact CZ-CB 4.47Å; F77-R347 HydrophobicContact CZ-CG 4.16Å; F161-R347 HydrophobicContact CE1-CG 4.35Å; F161-R347 VanDerWaalsContact CE2-NH1 3.32Å; R339-R347 PolarHBondContact NH1-O 2.85Å; R339-R347 PolarHBondContact NH2-O 3.4Å; V344-R347 WeakPolarHBondContact O-CB 3.45Å; V344-R347 VanDerWaalsContact O-CG 3.31Å; V344-R347 WeakPolarHBondContact O-CG 3.4Å; V344-R347 PolarHBondContact O-N 3.12Å; R347-F349 PolarHBondContact O-N 3.14Å
348	T	92.4	Very high	94.2	Very high	62 Å²	62	35.6 Å²	35.6	38%	0.38	18%	0.177	S	C	.	.			trans	-57.6	139	177	-55.1	0	0	0	0	110.9
349	F	95.1	Very high	94.2	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.013	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-92.8	102.6	165.7	-170.7	-96.5	0	0	0	107.9	V31 S115 M117 F159 Y329 V330 L333 R347	V31-F349 PolarHBondContact N-O 3.28Å; S115-F349 WeakPolarHBondContact OG-CZ 3.26Å; M117-F349 HydrophobicContact CG-CE2 4.33Å; F159-F349 HydrophobicContact CD1-CB 4.2Å; F159-F349 AromaticContact CD1-CD2 3.85Å; F159-F349 HydrophobicContact CD1-CD2 3.85Å; F159-F349 AromaticContact CD2-CD2 3.72Å; F159-F349 HydrophobicContact CD2-CD2 3.72Å; F159-F349 HydrophobicContact CD2-CE2 4.04Å; F159-F349 HydrophobicContact CE1-CB 3.74Å; F159-F349 AromaticContact CE1-CD2 3.66Å; F159-F349 HydrophobicContact CE1-CD2 3.66Å; F159-F349 HydrophobicContact CE1-CG 4.18Å; F159-F349 AromaticContact CE2-CD2 3.55Å; F159-F349 HydrophobicContact CE2-CD2 3.55Å; F159-F349 AromaticContact CE2-CE2 3.96Å; F159-F349 HydrophobicContact CE2-CE2 3.96Å; F159-F349 AromaticContact CG-CD2 3.88Å; F159-F349 HydrophobicContact CG-CD2 3.88Å; F159-F349 HydrophobicContact CZ-CB 4.2Å; F159-F349 AromaticContact CZ-CD2 3.52Å; F159-F349 HydrophobicContact CZ-CD2 3.52Å; F159-F349 HydrophobicContact CZ-CE2 4.34Å; F159-F349 HydrophobicContact CZ-CG 4.25Å; Y329-F349 HydrophobicContact CE2-CE1 4.29Å; Y329-F349 AromaticContact CE2-CZ 3.95Å; Y329-F349 HydrophobicContact CE2-CZ 3.95Å; V330-F349 HydrophobicContact CG1-CD1 4.2Å; V330-F349 HydrophobicContact CG1-CE1 4.32Å; V330-F349 HydrophobicContact CG2-CE1 4.48Å; L333-F349 HydrophobicContact CD1-CD2 4.17Å; L333-F349 HydrophobicContact CD1-CE2 3.62Å; L333-F349 HydrophobicContact CD1-CZ 3.87Å; R347-F349 PolarHBondContact O-N 3.14Å
350	N	93.1	Very high	94	Very high	43 Å²	43	39 Å²	39	23%	0.23	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	144.4	-175.5	-57.2	-72.3	0	0	0	111.1	G156 G158 S160 G352	G156-N350 WeakPolarHBondContact O-CB 3.13Å; G158-N350 WeakPolarHBondContact CA-O 3.2Å; G158-N350 PolarHBondContact N-O 2.96Å; G158-N350 VanDerWaalsContact N-O 3.15Å; G158-N350 PolarHBondContact O-N 2.72Å; G158-N350 PolarHBondContact O-ND2 2.64Å; S160-N350 PolarHBondContact O-ND2 3.08Å; N350-G352 VanDerWaalsContact C-N 3.35Å
351	D	86.4	Confident	94	Very high	30 Å²	30	38.3 Å²	38.3	16%	0.16	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-1	178.5	45	20.3	0	0	0	114.3	Y28 S30 T353	Y28-D351 WeakPolarHBondContact O-CB 3.16Å; S30-D351 WeakPolarHBondContact CB-OD2 3.41Å; S30-D351 PolarHBondContact N-OD2 3.38Å; S30-D351 PolarHBondContact OG-OD2 2.99Å; D351-T353 VanDerWaalsContact C-N 3.34Å; D351-T353 PolarHBondContact O-N 2.87Å; D351-T353 PolarHBondContact OD1-N 2.91Å; D351-T353 PolarHBondContact OD1-OG1 3.08Å
352	G	89.3	Confident	94	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.021	19%	0.185	C	C	.	.	S	Bend	trans	87.1	-7	178	0	0	0	0	0	115.2	G113 N350 V354 V355 E356	G113-G352 WeakPolarHBondContact O-CA 3.24Å; N350-G352 VanDerWaalsContact C-N 3.35Å; G352-V354 PolarHBondContact O-N 3.4Å; G352-V354 VanDerWaalsContact O-N 3.15Å; G352-V355 WeakPolarHBondContact O-CB 3.08Å; G352-V355 PolarHBondContact O-N 3.15Å; G352-E356 PolarHBondContact O-N 3.09Å
353	T	88.9	Confident	93.8	Very high	31 Å²	31	38.7 Å²	38.7	19%	0.19	19%	0.188	C	C	.	.	H	α-helix	trans	-57.6	-35.9	-177.1	-59	0	0	0	0	113.1	D351 K357	D351-T353 VanDerWaalsContact C-N 3.34Å; D351-T353 PolarHBondContact O-N 2.87Å; D351-T353 PolarHBondContact OD1-N 2.91Å; D351-T353 PolarHBondContact OD1-OG1 3.08Å; T353-K357 PolarHBondContact O-N 3.21Å
354	V	93.5	Very high	93.7	Very high	65 Å²	65	37.1 Å²	37.1	39%	0.394	18%	0.18	S	C	.	.	H	α-helix	trans	-68.6	-47.1	176.1	-176.3	0	0	0	0	110.4	Y168 G352 E356 K357 Y358	Y168-V354 HydrophobicContact CD1-CG1 4.15Å; Y168-V354 HydrophobicContact CD2-CG1 4.37Å; Y168-V354 HydrophobicContact CE1-CB 4.18Å; Y168-V354 HydrophobicContact CE1-CG1 3.61Å; Y168-V354 HydrophobicContact CE2-CG1 3.91Å; G352-V354 PolarHBondContact O-N 3.4Å; G352-V354 VanDerWaalsContact O-N 3.15Å; V354-E356 VanDerWaalsContact C-N 3.31Å; V354-E356 PolarHBondContact O-N 3.35Å; V354-K357 WeakPolarHBondContact O-CB 3.24Å; V354-K357 PolarHBondContact O-N 3.47Å; V354-Y358 HydrophobicContact CG1-CD2 3.99Å; V354-Y358 HydrophobicContact CG1-CE2 3.8Å; V354-Y358 VanDerWaalsContact O-CD2 3.28Å; V354-Y358 WeakPolarHBondContact O-CD2 3.41Å; V354-Y358 PolarHBondContact O-N 3.19Å
355	V	95.8	Very high	93.7	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-56.1	-48.3	179.1	170.8	0	0	0	0	110.9	P112 P154 V155 G156 Y168 G352 K357 Y358 L359	P112-V355 HydrophobicContact CB-CG1 4.44Å; P154-V355 HydrophobicContact CB-CG1 4.39Å; P154-V355 HydrophobicContact CG-CG1 4.14Å; V155-V355 WeakPolarHBondContact O-CG2 3.41Å; G156-V355 VanDerWaalsContact C-CG2 3.43Å; Y168-V355 HydrophobicContact CD1-CG2 4.28Å; Y168-V355 HydrophobicContact CE1-CG2 4.45Å; G352-V355 WeakPolarHBondContact O-CB 3.08Å; G352-V355 PolarHBondContact O-N 3.15Å; V355-K357 VanDerWaalsContact C-N 3.32Å; V355-K357 PolarHBondContact O-N 3.09Å; V355-Y358 PolarHBondContact O-N 3.09Å; V355-L359 HydrophobicContact CG1-CD1 3.9Å; V355-L359 PolarHBondContact O-N 3.46Å
356	E	91.5	Very high	93.8	Very high	5 Å²	5	42.7 Å²	42.7	2%	0.023	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-42.2	179.4	-173.6	-149	136.3	0	0	112.7	G22 L23 P112 G352 V354 Y358 L359 R360	G22-E356 WeakPolarHBondContact CA-OE1 3.17Å; G22-E356 VanDerWaalsContact CA-OE2 3.27Å; G22-E356 WeakPolarHBondContact CA-OE2 3.13Å; L23-E356 HydrophobicContact CB-CG 3.9Å; L23-E356 WeakPolarHBondContact CB-OE1 3.11Å; L23-E356 WeakPolarHBondContact CB-OE2 3.22Å; L23-E356 HydrophobicContact CD2-CG 4.36Å; L23-E356 PolarHBondContact N-OE1 3.45Å; L23-E356 PolarHBondContact N-OE2 3.02Å; P112-E356 HydrophobicContact CG-CB 4.16Å; P112-E356 HydrophobicContact CG-CG 3.98Å; G352-E356 PolarHBondContact O-N 3.09Å; V354-E356 VanDerWaalsContact C-N 3.31Å; V354-E356 PolarHBondContact O-N 3.35Å; E356-Y358 PolarHBondContact O-N 3.23Å; E356-L359 CarbonylContact O-C 3.6Å; E356-L359 PolarHBondContact O-N 3.04Å; E356-L359 VanDerWaalsContact O-N 3.09Å; E356-R360 PolarHBondContact O-N 2.98Å
357	K	92.6	Very high	94.1	Very high	137 Å²	137	38.4 Å²	38.4	60%	0.596	19%	0.19	S	C	*	.	H	α-helix	trans	-57.4	-37.9	174.7	178.7	-177.7	175.1	-177.8	0	112.5	T353 V354 V355 R360	T353-K357 PolarHBondContact O-N 3.21Å; V354-K357 WeakPolarHBondContact O-CB 3.24Å; V354-K357 PolarHBondContact O-N 3.47Å; V355-K357 VanDerWaalsContact C-N 3.32Å; V355-K357 PolarHBondContact O-N 3.09Å; K357-R360 WeakPolarHBondContact O-CD 3.49Å; K357-R360 WeakPolarHBondContact O-CG 3.43Å
358	Y	96.4	Very high	94.2	Very high	73 Å²	73	37.5 Å²	37.5	29%	0.286	19%	0.188	S	C	.	.	H	α-helix	trans	-76.7	-28.7	177.8	-80	-90.7	0	0	0	112.6	T165 Y168 A169 V170 V354 V355 E356	T165-Y358 WeakPolarHBondContact CB-OH 3.18Å; Y168-Y358 HydrophobicContact CD1-CD2 4.46Å; Y168-Y358 HydrophobicContact CD2-CD2 4.09Å; Y168-Y358 AromaticContact CD2-CE2 3.71Å; Y168-Y358 HydrophobicContact CD2-CE2 3.71Å; Y168-Y358 AromaticContact CD2-CZ 3.99Å; Y168-Y358 HydrophobicContact CE2-CE2 4.31Å; Y168-Y358 AromaticContact CG-CD2 3.88Å; Y168-Y358 HydrophobicContact CG-CD2 3.88Å; Y168-Y358 AromaticContact CG-CE2 4Å; Y168-Y358 HydrophobicContact CG-CE2 4Å; Y168-Y358 HydrophobicContact CG-CG 4.32Å; A169-Y358 WeakPolarHBondContact O-CB 3.43Å; V170-Y358 HydrophobicContact CG1-CD1 3.82Å; V354-Y358 HydrophobicContact CG1-CD2 3.99Å; V354-Y358 HydrophobicContact CG1-CE2 3.8Å; V354-Y358 VanDerWaalsContact O-CD2 3.28Å; V354-Y358 WeakPolarHBondContact O-CD2 3.41Å; V354-Y358 PolarHBondContact O-N 3.19Å; V355-Y358 PolarHBondContact O-N 3.09Å; E356-Y358 PolarHBondContact O-N 3.23Å
359	L	96.6	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-96.8	-0.6	-179.8	-75.7	172.1	0	0	0	115.2	P112 P154 Y205 Y209 V355 E356 E361 D362 T363	P112-L359 HydrophobicContact CB-CB 4.09Å; P112-L359 HydrophobicContact CB-CD1 3.65Å; P112-L359 HydrophobicContact CG-CB 3.97Å; P112-L359 HydrophobicContact CG-CD1 4.45Å; P154-L359 HydrophobicContact CG-CD1 3.99Å; Y205-L359 PolarHBondContact OH-O 3.31Å; Y209-L359 HydrophobicContact CE1-CD1 4.42Å; V355-L359 HydrophobicContact CG1-CD1 3.9Å; V355-L359 PolarHBondContact O-N 3.46Å; E356-L359 CarbonylContact O-C 3.6Å; E356-L359 PolarHBondContact O-N 3.04Å; E356-L359 VanDerWaalsContact O-N 3.09Å; L359-E361 PolarHBondContact O-N 3.13Å; L359-E361 VanDerWaalsContact O-N 3.11Å; L359-D362 HydrophobicContact CD2-CB 3.94Å; L359-D362 WeakPolarHBondContact O-CA 3.31Å; L359-D362 VanDerWaalsContact O-CB 3.3Å; L359-D362 WeakPolarHBondContact O-CB 3.44Å; L359-D362 PolarHBondContact O-N 2.82Å; L359-T363 PolarHBondContact O-N 2.91Å; L359-T363 PolarHBondContact O-OG1 3.26Å
360	R	93.6	Very high	94.6	Very high	74 Å²	74	41.3 Å²	41.3	28%	0.279	21%	0.206	S	C	.	.	H	α-helix	trans	-53.7	-36.3	-176.2	70.5	-171.6	-177.8	174.5	5.2	114.5	F284 F287 E356 K357 T363	F284-R360 VanDerWaalsContact CE2-NH1 3.32Å; F287-R360 HydrophobicContact CD1-CB 4.07Å; F287-R360 HydrophobicContact CD2-CB 4.29Å; F287-R360 WeakPolarHBondContact CD2-O 3.38Å; F287-R360 HydrophobicContact CE1-CB 4Å; F287-R360 HydrophobicContact CE2-CB 4.21Å; F287-R360 HydrophobicContact CG-CB 4.22Å; F287-R360 WeakPolarHBondContact CG-O 3.36Å; F287-R360 HydrophobicContact CZ-CB 4.06Å; E356-R360 PolarHBondContact O-N 2.98Å; K357-R360 WeakPolarHBondContact O-CD 3.49Å; K357-R360 WeakPolarHBondContact O-CG 3.43Å; R360-T363 WeakPolarHBondContact O-CB 3.09Å
361	E	95.8	Very high	94.9	Very high	79 Å²	79	39.4 Å²	39.4	37%	0.369	20%	0.196	S	C	.	.	H	α-helix	trans	-77.7	-30.8	177.3	-69.9	-173.1	-156.7	0	0	111.7	W283 F284 L359 T363 Q365	W283-E361 HydrophobicContact CB-CB 3.75Å; W283-E361 HydrophobicContact CB-CG 3.99Å; W283-E361 HydrophobicContact CG-CB 4.49Å; F284-E361 HydrophobicContact CB-CG 4.23Å; L359-E361 PolarHBondContact O-N 3.13Å; L359-E361 VanDerWaalsContact O-N 3.11Å; E361-T363 VanDerWaalsContact C-N 3.28Å; E361-T363 PolarHBondContact O-N 3.28Å; E361-Q365 PolarHBondContact O-NE2 3.09Å
362	D	97.6	Very high	95.4	Very high	6 Å²	6	39 Å²	39	3%	0.032	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-36.2	171.7	-171.5	96.3	0	0	0	111	N171 E172 Y205 K208 L359 V364 Q365	N171-D362 WeakPolarHBondContact CA-OD1 3.33Å; E172-D362 PolarHBondContact N-OD1 3.48Å; Y205-D362 PolarHBondContact OH-OD2 3.3Å; K208-D362 PolarHBondContact NZ-O 3Å; K208-D362 IonicContact NZ-OD2 3.44Å; K208-D362 PolarHBondContact NZ-OD2 3.21Å; L359-D362 HydrophobicContact CD2-CB 3.94Å; L359-D362 WeakPolarHBondContact O-CA 3.31Å; L359-D362 VanDerWaalsContact O-CB 3.3Å; L359-D362 WeakPolarHBondContact O-CB 3.44Å; L359-D362 PolarHBondContact O-N 2.82Å; D362-V364 PolarHBondContact O-N 2.73Å; D362-Q365 WeakPolarHBondContact O-CA 3.39Å; D362-Q365 VanDerWaalsContact O-CB 3.31Å; D362-Q365 WeakPolarHBondContact O-CB 3.23Å; D362-Q365 PolarHBondContact O-N 3.09Å
363	T	94.4	Very high	95.9	Very high	8 Å²	8	42.1 Å²	42.1	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-45.2	-44.9	-176.3	-62.2	0	0	0	0	113	Y205 K208 Y239 F287 L359 R360 E361	Y205-T363 HydrophobicContact CE2-CG2 4.01Å; Y205-T363 WeakPolarHBondContact CE2-OG1 3.42Å; Y205-T363 WeakPolarHBondContact OH-CA 3.23Å; Y205-T363 PolarHBondContact OH-N 3.35Å; Y205-T363 PolarHBondContact OH-OG1 2.93Å; K208-T363 WeakPolarHBondContact CE-O 3.26Å; K208-T363 PolarHBondContact NZ-O 3.4Å; Y239-T363 HydrophobicContact CE1-CG2 4.35Å; Y239-T363 VanDerWaalsContact CE1-O 3.27Å; Y239-T363 WeakPolarHBondContact CE1-O 3.27Å; F287-T363 HydrophobicContact CD2-CG2 3.98Å; F287-T363 HydrophobicContact CE2-CG2 4.07Å; L359-T363 PolarHBondContact O-N 2.91Å; L359-T363 PolarHBondContact O-OG1 3.26Å; R360-T363 WeakPolarHBondContact O-CB 3.09Å; E361-T363 VanDerWaalsContact C-N 3.28Å; E361-T363 PolarHBondContact O-N 3.28Å
364	V	96.3	Very high	96.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-0.7	-178.3	-64.6	0	0	0	0	115	I278 W283 A286 F287 L290 D362	I278-V364 HydrophobicContact CD1-CB 3.98Å; I278-V364 HydrophobicContact CD1-CG1 4.45Å; I278-V364 HydrophobicContact CG1-CB 3.98Å; I278-V364 HydrophobicContact CG1-CG2 4.45Å; W283-V364 HydrophobicContact CB-CG2 4Å; W283-V364 HydrophobicContact CE3-CG2 3.9Å; A286-V364 HydrophobicContact CB-CB 4.29Å; A286-V364 HydrophobicContact CB-CG1 4.19Å; A286-V364 HydrophobicContact CB-CG2 4.04Å; F287-V364 HydrophobicContact CB-CG1 4.32Å; L290-V364 HydrophobicContact CD2-CG1 4.46Å; D362-V364 PolarHBondContact O-N 2.73Å
365	Q	97.8	Very high	96.6	Very high	62 Å²	62	37.7 Å²	37.7	29%	0.29	18%	0.182	S	C	.	.	S	Bend	trans	-82.2	149.1	172.9	-63.3	-179.9	59.7	0	0	111.6	K208 P242 W283 E361 D362	K208-Q365 PolarHBondContact NZ-O 3.39Å; P242-Q365 WeakPolarHBondContact CG-O 3.49Å; W283-Q365 HydrophobicContact CD2-CG 3.89Å; W283-Q365 HydrophobicContact CE3-CG 4.07Å; W283-Q365 HydrophobicContact CG-CG 4.4Å; W283-Q365 HydrophobicContact CH2-CG 4.27Å; W283-Q365 HydrophobicContact CZ2-CG 4.09Å; W283-Q365 HydrophobicContact CZ3-CG 4.25Å; E361-Q365 PolarHBondContact O-NE2 3.09Å; D362-Q365 WeakPolarHBondContact O-CA 3.39Å; D362-Q365 VanDerWaalsContact O-CB 3.31Å; D362-Q365 WeakPolarHBondContact O-CB 3.23Å; D362-Q365 PolarHBondContact O-N 3.09Å
366	S	97.1	Very high	96.7	Very high	54 Å²	54	39.9 Å²	39.9	38%	0.378	19%	0.194	S	C	.	.			trans	-98.6	133.8	-174.9	-171.1	0	0	0	0	112	D241 K368	D241-S366 PolarHBondContact OD1-OG 3.21Å; S366-K368 WeakPolarHBondContact OG-CB 3.42Å; S366-K368 PolarHBondContact OG-N 2.95Å
367	V	97.9	Very high	97	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.024	22%	0.215	C	C	.	.			trans	-98.8	10.2	169.5	-64.3	0	0	0	0	112.3	E172 G207 K208 P211 S240 P369 W370 L371	E172-V367 HydrophobicContact CG-CG1 4.01Å; G207-V367 WeakPolarHBondContact O-CG2 3.3Å; K208-V367 HydrophobicContact CB-CG1 4.05Å; K208-V367 HydrophobicContact CB-CG2 4.36Å; K208-V367 HydrophobicContact CG-CG1 3.94Å; K208-V367 HydrophobicContact CG-CG2 3.97Å; P211-V367 HydrophobicContact CB-CG2 4.36Å; P211-V367 HydrophobicContact CG-CG2 4.26Å; S240-V367 WeakPolarHBondContact O-CG2 3.49Å; S240-V367 PolarHBondContact O-N 3.25Å; S240-V367 VanDerWaalsContact O-N 3.16Å; V367-P369 VanDerWaalsContact C-N 3.3Å; V367-W370 HydrophobicContact CB-CE3 4Å; V367-W370 HydrophobicContact CG1-CE3 3.81Å; V367-W370 HydrophobicContact CG1-CZ3 3.87Å; V367-W370 PolarHBondContact O-N 3.03Å; V367-W370 VanDerWaalsContact O-N 3.09Å; V367-L371 PolarHBondContact O-N 3.13Å
368	K	96.6	Very high	97.3	Very high	46 Å²	46	39 Å²	39	20%	0.2	19%	0.193	C	C	.	.	H	α-helix	trans	-49.5	-39.6	-179.3	177.2	176.3	-177	166.9	0	114.3	D241 S366 L371 T372 G402 M403	D241-K368 IonicContact OD2-NZ 3.97Å; S366-K368 WeakPolarHBondContact OG-CB 3.42Å; S366-K368 PolarHBondContact OG-N 2.95Å; K368-L371 PolarHBondContact O-N 3.06Å; K368-T372 WeakPolarHBondContact O-CB 3.12Å; K368-T372 PolarHBondContact O-N 3.38Å; K368-T372 PolarHBondContact O-OG1 3.11Å; K368-G402 WeakPolarHBondContact CE-O 3.24Å; K368-G402 PolarHBondContact NZ-O 3.39Å; K368-M403 HydrophobicContact CB-CE 4.46Å; K368-M403 HydrophobicContact CG-CE 3.77Å
369	P	97.6	Very high	97.4	Very high	90 Å²	90	37.4 Å²	37.4	58%	0.584	19%	0.188	S	C	*	.	H	α-helix	trans	-60.7	-46.8	176.5	-24.7	36	0	0	0	112.9	V367 T372 E373	V367-P369 VanDerWaalsContact C-N 3.3Å; P369-T372 WeakPolarHBondContact O-CB 3.31Å; P369-T372 PolarHBondContact O-N 3Å; P369-E373 PolarHBondContact O-N 2.88Å
370	W	98.6	Very high	97.6	Very high	54 Å²	54	37.5 Å²	37.5	21%	0.205	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-43.8	178	-60.4	-27.3	0	0	0	111.8	E172 P211 A212 H215 V367 T372 E373 I374	E172-W370 HydrophobicContact CB-CH2 3.98Å; E172-W370 HydrophobicContact CB-CZ3 3.53Å; E172-W370 HydrophobicContact CG-CZ3 4.45Å; P211-W370 HydrophobicContact CB-CB 4.4Å; A212-W370 HydrophobicContact CB-CE3 3.92Å; A212-W370 HydrophobicContact CB-CZ3 3.7Å; H215-W370 HydrophobicContact CB-CB 3.9Å; H215-W370 HydrophobicContact CB-CG 4.09Å; H215-W370 AromaticContact CD2-CD1 3.54Å; H215-W370 AromaticContact CE1-CD1 3.56Å; H215-W370 AromaticContact CE1-NE1 3.61Å; H215-W370 AromaticContact CG-CD1 3.6Å; H215-W370 AromaticContact CG-CG 3.79Å; H215-W370 AromaticContact ND1-CD1 3.61Å; H215-W370 AromaticContact ND1-NE1 3.75Å; H215-W370 AromaticContact NE2-CD1 3.5Å; H215-W370 AromaticContact NE2-NE1 3.97Å; V367-W370 HydrophobicContact CB-CE3 4Å; V367-W370 HydrophobicContact CG1-CE3 3.81Å; V367-W370 HydrophobicContact CG1-CZ3 3.87Å; V367-W370 PolarHBondContact O-N 3.03Å; V367-W370 VanDerWaalsContact O-N 3.09Å; W370-T372 VanDerWaalsContact C-N 3.28Å; W370-T372 PolarHBondContact O-N 2.8Å; W370-E373 PolarHBondContact O-N 3.24Å; W370-I374 WeakPolarHBondContact O-CG1 3.22Å; W370-I374 PolarHBondContact O-N 3.09Å
371	L	98.5	Very high	97.8	Very high	3 Å²	3	34 Å²	34	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-39.9	175.9	-179.8	57.3	0	0	0	111.5	P211 I233 I235 V367 K368 E373 I374 M375 M403	P211-L371 HydrophobicContact CB-CB 4.14Å; P211-L371 HydrophobicContact CG-CB 4.11Å; P211-L371 HydrophobicContact CG-CD1 4.1Å; I233-L371 HydrophobicContact CD1-CD1 3.77Å; I235-L371 HydrophobicContact CD1-CD1 4.24Å; V367-L371 PolarHBondContact O-N 3.13Å; K368-L371 PolarHBondContact O-N 3.06Å; L371-E373 PolarHBondContact O-N 3.37Å; L371-I374 PolarHBondContact O-N 3.49Å; L371-M375 HydrophobicContact CD1-CG 4.19Å; L371-M375 HydrophobicContact CD1-SD 4.32Å; L371-M375 HydrophobicContact CG-CG 4.38Å; L371-M375 HydrophobicContact CG-SD 3.93Å; L371-M375 WeakPolarHBondContact O-CB 2.72Å; L371-M375 WeakPolarHBondContact O-CG 2.91Å; L371-M375 PolarHBondContact O-N 2.74Å; L371-M403 HydrophobicContact CB-CE 3.98Å; L371-M403 HydrophobicContact CD2-CE 3.62Å; L371-M403 HydrophobicContact CD2-SD 4.24Å; L371-M403 HydrophobicContact CG-CE 3.73Å
372	T	98.3	Very high	98	Very high	22 Å²	22	30.5 Å²	30.5	14%	0.135	16%	0.159	C	C	.	.	H	α-helix	trans	-60.7	-44.3	175.9	-60.9	0	0	0	0	111.6	K368 P369 W370 M375 N376 D404 W405	K368-T372 WeakPolarHBondContact O-CB 3.12Å; K368-T372 PolarHBondContact O-N 3.38Å; K368-T372 PolarHBondContact O-OG1 3.11Å; P369-T372 WeakPolarHBondContact O-CB 3.31Å; P369-T372 PolarHBondContact O-N 3Å; W370-T372 VanDerWaalsContact C-N 3.28Å; W370-T372 PolarHBondContact O-N 2.8Å; T372-M375 PolarHBondContact O-N 2.83Å; T372-N376 VanDerWaalsContact O-CG 3.28Å; T372-N376 PolarHBondContact O-N 3.47Å; T372-N376 VanDerWaalsContact O-N 3.11Å; T372-N376 PolarHBondContact O-ND2 2.83Å; T372-D404 WeakPolarHBondContact CG2-O 3.3Å; T372-W405 HydrophobicContact CG2-CB 4.03Å
373	E	98.4	Very high	98	Very high	67 Å²	67	30.2 Å²	30.2	31%	0.313	16%	0.157	S	C	.	.	H	α-helix	trans	-63.2	-41.7	176.2	-175.3	165.9	-177.5	0	0	111.9	H215 H218 P369 W370 L371 N376 N377	H215-E373 IonicContact CD2-OE2 3.22Å; H215-E373 PolarHBondContact CD2-OE2 3.09Å; H215-E373 IonicContact NE2-OE2 3.14Å; H215-E373 PolarHBondContact NE2-OE2 3.19Å; H215-E373 VanDerWaalsContact NE2-OE2 3.14Å; H218-E373 IonicContact CD2-OE1 3.31Å; H218-E373 PolarHBondContact CD2-OE1 2.76Å; H218-E373 VanDerWaalsContact CD2-OE1 3.31Å; H218-E373 IonicContact NE2-OE1 3.41Å; H218-E373 PolarHBondContact NE2-OE1 2.86Å; P369-E373 PolarHBondContact O-N 2.88Å; W370-E373 PolarHBondContact O-N 3.24Å; L371-E373 PolarHBondContact O-N 3.37Å; E373-N376 WeakPolarHBondContact O-CB 3.17Å; E373-N376 PolarHBondContact O-N 3.02Å; E373-N377 PolarHBondContact O-N 3.02Å; E373-N377 PolarHBondContact O-ND2 3.34Å
374	I	98.6	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.9	-43.4	175.9	-64.4	-48	0	0	0	111.9	A214 H215 H218 I233 W370 L371 N376 N377 Y378 V380	A214-I374 HydrophobicContact CB-CD1 4Å; A214-I374 HydrophobicContact CB-CG1 3.96Å; H215-I374 HydrophobicContact CB-CD1 4.43Å; H218-I374 HydrophobicContact CB-CD1 4.14Å; I233-I374 HydrophobicContact CD1-CB 4.43Å; I233-I374 HydrophobicContact CD1-CG2 3.59Å; I233-I374 HydrophobicContact CG1-CG2 3.82Å; I233-I374 HydrophobicContact CG2-CG2 4.27Å; W370-I374 WeakPolarHBondContact O-CG1 3.22Å; W370-I374 PolarHBondContact O-N 3.09Å; L371-I374 PolarHBondContact O-N 3.49Å; I374-N376 PolarHBondContact O-N 3.35Å; I374-N377 PolarHBondContact O-N 3.05Å; I374-Y378 HydrophobicContact CD1-CD2 3.93Å; I374-Y378 HydrophobicContact CD1-CE2 3.88Å; I374-Y378 HydrophobicContact CG2-CD2 4.12Å; I374-Y378 PolarHBondContact O-N 2.92Å; I374-V380 HydrophobicContact CG2-CG2 4.03Å
375	M	98.5	Very high	98.3	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.02	16%	0.155	C	C	.	.	H	α-helix	trans	-60.5	-25.8	175.1	-69.7	168	75.2	0	0	113.1	L371 T372 V380 L400 M403 W405 F438	L371-M375 HydrophobicContact CD1-CG 4.19Å; L371-M375 HydrophobicContact CD1-SD 4.32Å; L371-M375 HydrophobicContact CG-CG 4.38Å; L371-M375 HydrophobicContact CG-SD 3.93Å; L371-M375 WeakPolarHBondContact O-CB 2.72Å; L371-M375 WeakPolarHBondContact O-CG 2.91Å; L371-M375 PolarHBondContact O-N 2.74Å; T372-M375 PolarHBondContact O-N 2.83Å; M375-V380 HydrophobicContact CB-CG2 4.39Å; M375-V380 HydrophobicContact CG-CB 4.3Å; M375-V380 HydrophobicContact CG-CG1 4.15Å; M375-V380 HydrophobicContact CG-CG2 3.9Å; M375-L400 HydrophobicContact CE-CD2 4.39Å; M375-M403 HydrophobicContact CE-SD 4.28Å; M375-M403 HydrophobicContact SD-CE 3.94Å; M375-M403 HydrophobicContact SD-SD 3.81Å; M375-W405 HydrophobicContact CB-CB 4.25Å; M375-W405 HydrophobicContact CB-CD2 4.42Å; M375-W405 HydrophobicContact CB-CE3 4.36Å; M375-W405 HydrophobicContact CB-CG 4.37Å; M375-W405 HydrophobicContact CE-CB 4.46Å; M375-W405 HydrophobicContact CE-CD2 3.68Å; M375-W405 HydrophobicContact CE-CE3 4.44Å; M375-W405 HydrophobicContact CE-CG 3.63Å; M375-W405 HydrophobicContact CE-CZ2 4.22Å; M375-W405 VanDerWaalsContact CE-NE1 3.33Å; M375-W405 HydrophobicContact SD-CG 4.45Å; M375-F438 HydrophobicContact CE-CD2 3.59Å; M375-F438 HydrophobicContact CE-CE2 3.56Å; M375-F438 HydrophobicContact CE-CG 4.23Å; M375-F438 HydrophobicContact CE-CZ 4.18Å; M375-F438 HydrophobicContact CG-CD2 4.32Å; M375-F438 HydrophobicContact SD-CE2 4.48Å
376	N	98.5	Very high	98.3	Very high	49 Å²	49	30.4 Å²	30.4	26%	0.262	16%	0.158	S	C	.	.	H	α-helix	trans	-78.9	-21	176.3	-72.4	-30.4	0	0	0	113.3	T372 E373 I374 K406	T372-N376 VanDerWaalsContact O-CG 3.28Å; T372-N376 PolarHBondContact O-N 3.47Å; T372-N376 VanDerWaalsContact O-N 3.11Å; T372-N376 PolarHBondContact O-ND2 2.83Å; E373-N376 WeakPolarHBondContact O-CB 3.17Å; E373-N376 PolarHBondContact O-N 3.02Å; I374-N376 PolarHBondContact O-N 3.35Å; N376-K406 HydrophobicContact CB-CD 4.45Å; N376-K406 VanDerWaalsContact O-CE 3.29Å; N376-K406 WeakPolarHBondContact O-CE 3.44Å; N376-K406 PolarHBondContact O-NZ 3.5Å; N376-K406 WeakPolarHBondContact OD1-CB 3.49Å; N376-K406 WeakPolarHBondContact OD1-CG 3.24Å; N376-K406 PolarHBondContact OD1-N 3.33Å
377	N	98.5	Very high	98.4	Very high	88 Å²	88	28.6 Å²	28.6	47%	0.471	14%	0.144	S	C	.	.	H	α-helix	trans	-121	-20.9	-167.6	-70.6	-73.9	0	0	0	114.8	E373 I374	E373-N377 PolarHBondContact O-N 3.02Å; E373-N377 PolarHBondContact O-ND2 3.34Å; I374-N377 PolarHBondContact O-N 3.05Å
378	Y	98.8	Very high	98.4	Very high	36 Å²	36	28.4 Å²	28.4	14%	0.141	14%	0.142	C	C	.	.	S	Bend	trans	-136.4	171.4	-172.5	-58.4	-86.3	0	0	0	113.1	H218 L230 I374	H218-Y378 HydrophobicContact CB-CE2 3.89Å; H218-Y378 WeakPolarHBondContact CB-OH 3.42Å; H218-Y378 AromaticContact CG-CE2 3.84Å; H218-Y378 AromaticContact ND1-CE2 3.45Å; H218-Y378 WeakPolarHBondContact ND1-CE2 3.38Å; H218-Y378 AromaticContact ND1-CZ 3.59Å; H218-Y378 PolarHBondContact ND1-OH 3.49Å; L230-Y378 HydrophobicContact CB-CE1 4.15Å; L230-Y378 HydrophobicContact CD2-CD1 4.38Å; L230-Y378 HydrophobicContact CD2-CE1 3.99Å; L230-Y378 HydrophobicContact CD2-CE2 4.17Å; L230-Y378 HydrophobicContact CG-CD1 4.14Å; L230-Y378 HydrophobicContact CG-CE1 3.94Å; L230-Y378 VanDerWaalsContact O-CE1 3.27Å; L230-Y378 WeakPolarHBondContact O-CE1 3.43Å; I374-Y378 HydrophobicContact CD1-CD2 3.93Å; I374-Y378 HydrophobicContact CD1-CE2 3.88Å; I374-Y378 HydrophobicContact CG2-CD2 4.12Å; I374-Y378 PolarHBondContact O-N 2.92Å
379	K	98.7	Very high	98.4	Very high	39 Å²	39	26.3 Å²	26.3	17%	0.17	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	133.8	167.2	-65.8	171	63.3	-178.6	0	110	Y199 K231 G232 I233 D437 F465 I466	Y199-K379 PolarHBondContact OH-NZ 2.89Å; K231-K379 PolarHBondContact O-N 2.89Å; G232-K379 CarbonylContact C-O 3.43Å; G232-K379 WeakPolarHBondContact CA-O 3.39Å; I233-K379 PolarHBondContact N-O 3.1Å; K379-D437 HydrophobicContact CB-CB 4.48Å; K379-D437 HydrophobicContact CG-CB 4Å; K379-F465 HydrophobicContact CB-CE2 3.79Å; K379-F465 HydrophobicContact CB-CZ 3.83Å; K379-F465 VanDerWaalsContact CE-O 3.29Å; K379-F465 WeakPolarHBondContact CE-O 3.26Å; K379-F465 PolarHBondContact NZ-O 3.12Å; K379-I466 PolarHBondContact NZ-O 2.95Å
380	V	98.9	Very high	98.3	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.1	178.7	178.2	0	0	0	0	109.5	I233 I374 M375 M382 D437 F438 H439	I233-V380 HydrophobicContact CD1-CG1 4.15Å; I233-V380 HydrophobicContact CD1-CG2 4.16Å; I233-V380 HydrophobicContact CG1-CB 4.22Å; I233-V380 HydrophobicContact CG1-CG1 4.04Å; I233-V380 HydrophobicContact CG1-CG2 3.78Å; I233-V380 WeakPolarHBondContact O-CA 3.45Å; I374-V380 HydrophobicContact CG2-CG2 4.03Å; M375-V380 HydrophobicContact CB-CG2 4.39Å; M375-V380 HydrophobicContact CG-CB 4.3Å; M375-V380 HydrophobicContact CG-CG1 4.15Å; M375-V380 HydrophobicContact CG-CG2 3.9Å; V380-M382 HydrophobicContact CG1-CG 4.26Å; V380-M382 HydrophobicContact CG1-SD 4.42Å; V380-D437 PolarHBondContact N-O 3.39Å; V380-D437 VanDerWaalsContact N-O 3.08Å; V380-F438 HydrophobicContact CB-CD2 3.88Å; V380-F438 HydrophobicContact CB-CE2 4.42Å; V380-F438 HydrophobicContact CG1-CD2 3.85Å; V380-F438 HydrophobicContact CG1-CE2 3.88Å; V380-F438 CarbonylContact O-C 3.58Å; V380-F438 WeakPolarHBondContact O-CA 3Å; V380-H439 PolarHBondContact O-N 3.31Å
381	L	98.9	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.2	168.8	173.7	65.7	0	0	0	109	I233 A234 I235 Y383 H439 V441 M461 I462 F465	I233-L381 PolarHBondContact O-N 3.25Å; A234-L381 CarbonylContact C-O 3.49Å; A234-L381 VanDerWaalsContact CA-O 3.27Å; A234-L381 WeakPolarHBondContact CA-O 3.48Å; A234-L381 HydrophobicContact CB-CB 3.92Å; A234-L381 HydrophobicContact CB-CD2 4.03Å; A234-L381 HydrophobicContact CB-CG 4.31Å; I235-L381 PolarHBondContact N-O 3.34Å; L381-Y383 HydrophobicContact CD2-CD1 3.9Å; L381-Y383 HydrophobicContact CG-CD1 3.96Å; L381-H439 CarbonylContact C-O 3.54Å; L381-H439 WeakPolarHBondContact CA-O 3.4Å; L381-H439 HydrophobicContact CD1-CB 3.71Å; L381-V441 HydrophobicContact CD1-CB 4.16Å; L381-V441 HydrophobicContact CD1-CG2 3.47Å; L381-V441 VanDerWaalsContact CD1-CG2 3.47Å; L381-M461 HydrophobicContact CD2-CE 4.06Å; L381-M461 HydrophobicContact CD2-CG 4.15Å; L381-M461 HydrophobicContact CD2-SD 4.08Å; L381-I462 HydrophobicContact CD2-CD1 4.48Å; L381-F465 HydrophobicContact CB-CD1 3.99Å; L381-F465 HydrophobicContact CB-CD2 3.62Å; L381-F465 HydrophobicContact CB-CE1 4.02Å; L381-F465 HydrophobicContact CB-CE2 3.64Å; L381-F465 HydrophobicContact CB-CG 3.78Å; L381-F465 HydrophobicContact CB-CZ 3.85Å; L381-F465 HydrophobicContact CD2-CB 3.87Å; L381-F465 HydrophobicContact CD2-CD1 4.11Å; L381-F465 HydrophobicContact CD2-CD2 4.48Å; L381-F465 HydrophobicContact CD2-CG 3.9Å; L381-F465 HydrophobicContact CG-CD2 4.49Å; L381-F465 HydrophobicContact CG-CG 4.37Å
382	M	98.8	Very high	98.1	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.03	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.9	164	-62	-63.3	-62.8	0	0	107.4	I235 V380 T396 L400 F438 H439 Q440 V441	I235-M382 HydrophobicContact CB-CE 4.18Å; I235-M382 HydrophobicContact CB-SD 3.8Å; I235-M382 HydrophobicContact CD1-SD 3.9Å; I235-M382 HydrophobicContact CG1-SD 4.22Å; I235-M382 HydrophobicContact CG2-CE 4.25Å; I235-M382 HydrophobicContact CG2-SD 4.49Å; V380-M382 HydrophobicContact CG1-CG 4.26Å; V380-M382 HydrophobicContact CG1-SD 4.42Å; M382-T396 HydrophobicContact CE-CG2 4.25Å; M382-L400 HydrophobicContact CG-CD2 4.33Å; M382-F438 HydrophobicContact CB-CE2 4.41Å; M382-F438 HydrophobicContact CB-CZ 4.26Å; M382-F438 HydrophobicContact CG-CE2 3.66Å; M382-F438 HydrophobicContact CG-CZ 3.89Å; M382-H439 PolarHBondContact N-O 3.01Å; M382-Q440 CarbonylContact O-C 3.51Å; M382-Q440 VanDerWaalsContact O-CA 3.26Å; M382-Q440 WeakPolarHBondContact O-CA 3.22Å; M382-V441 PolarHBondContact O-N 3.07Å
383	Y	98.8	Very high	98.1	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.8	177.7	67.9	-93.3	0	0	0	111.9	A234 I235 G236 D237 L381 V441 L450 M461	A234-Y383 HydrophobicContact CB-CE1 4.32Å; I235-Y383 WeakPolarHBondContact O-CD1 3.42Å; I235-Y383 PolarHBondContact O-N 2.89Å; G236-Y383 CarbonylContact C-O 3.53Å; G236-Y383 WeakPolarHBondContact CA-O 3.19Å; G236-Y383 VanDerWaalsContact N-CE1 3.34Å; D237-Y383 PolarHBondContact N-O 3.13Å; L381-Y383 HydrophobicContact CD2-CD1 3.9Å; L381-Y383 HydrophobicContact CG-CD1 3.96Å; Y383-V441 CarbonylContact C-O 3.54Å; Y383-V441 WeakPolarHBondContact CA-O 3.22Å; Y383-L450 HydrophobicContact CD2-CD1 3.57Å; Y383-L450 HydrophobicContact CE2-CB 4.47Å; Y383-L450 HydrophobicContact CE2-CD1 3.98Å; Y383-M461 WeakPolarHBondContact CB-SD 3.41Å; Y383-M461 HydrophobicContact CD1-CE 3.63Å; Y383-M461 HydrophobicContact CD1-SD 4.16Å; Y383-M461 HydrophobicContact CD2-CE 3.79Å; Y383-M461 HydrophobicContact CD2-SD 4.22Å; Y383-M461 HydrophobicContact CE1-CE 3.92Å; Y383-M461 HydrophobicContact CE2-CE 4.06Å; Y383-M461 HydrophobicContact CG-CE 3.54Å; Y383-M461 HydrophobicContact CG-SD 3.7Å
384	N	98.8	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.9	178.8	-66.2	97.8	0	0	0	111.8	D237 V391 A393 T396 V441 I442 I443	D237-N384 VanDerWaalsContact OD2-CA 3.27Å; D237-N384 WeakPolarHBondContact OD2-CA 3.4Å; N384-V391 PolarHBondContact ND2-O 3.19Å; N384-A393 HydrophobicContact CB-CB 3.73Å; N384-T396 PolarHBondContact ND2-OG1 3.06Å; N384-T396 WeakPolarHBondContact OD1-CB 3.46Å; N384-T396 WeakPolarHBondContact OD1-CG2 3.42Å; N384-T396 PolarHBondContact OD1-OG1 3.26Å; N384-V441 PolarHBondContact N-O 3.32Å; N384-I442 WeakPolarHBondContact O-CA 3.37Å; N384-I443 PolarHBondContact O-N 3.02Å
385	G	98.6	Very high	98	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	134.4	160.1	0	0	0	0	0	110.8	D237 L387 G446 G447	D237-G385 PolarHBondContact OD1-N 3.28Å; D237-G385 PolarHBondContact OD2-N 3.37Å; G385-L387 PolarHBondContact O-N 3.14Å; G385-G446 CarbonylContact C-O 3.54Å; G385-G446 WeakPolarHBondContact CA-O 3.38Å; G385-G447 WeakPolarHBondContact CA-O 3.44Å
386	Q	97.7	Very high	98	Very high	75 Å²	75	19.6 Å²	19.6	35%	0.35	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.8	175.2	-174.6	177.3	35.4	0	0	113.2	I442 I443 G446	Q386-I442 HydrophobicContact CB-CG2 4.23Å; Q386-I443 WeakPolarHBondContact CB-O 3.42Å; Q386-I443 PolarHBondContact N-O 3.22Å; Q386-G446 PolarHBondContact N-O 3.3Å
387	L	97.9	Very high	97.9	Very high	16 Å²	16	19.1 Å²	19.1	8%	0.084	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	0.8	-171.8	-51	178.2	0	0	0	113.7	N316 F317 L318 G385 G446	N316-L387 WeakPolarHBondContact CA-O 3.37Å; F317-L387 HydrophobicContact CD1-CB 4.3Å; F317-L387 WeakPolarHBondContact CD1-O 3.43Å; F317-L387 VanDerWaalsContact CE1-CA 3.43Å; F317-L387 HydrophobicContact CE1-CB 4.09Å; F317-L387 HydrophobicContact CE1-CD2 3.88Å; F317-L387 HydrophobicContact CE2-CD2 3.69Å; F317-L387 HydrophobicContact CZ-CB 4.28Å; F317-L387 HydrophobicContact CZ-CD2 3.26Å; F317-L387 HydrophobicContact CZ-CG 4.36Å; F317-L387 PolarHBondContact N-O 3.39Å; F317-L387 VanDerWaalsContact N-O 3.08Å; L318-L387 HydrophobicContact CD1-CD1 3.51Å; L318-L387 HydrophobicContact CG-CD1 3.98Å; G385-L387 PolarHBondContact O-N 3.14Å; L387-G446 WeakPolarHBondContact CB-O 3.47Å; L387-G446 PolarHBondContact N-O 2.05Å
388	D	98.1	Very high	97.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.			trans	-69.1	142.8	176.9	-174.5	23.5	0	0	0	111.4	D237 I390 V391 A392 H448	D237-D388 WeakPolarHBondContact OD1-CB 3.38Å; D388-I390 WeakPolarHBondContact OD1-CG2 3.18Å; D388-I390 PolarHBondContact OD1-N 3.44Å; D388-I390 VanDerWaalsContact OD1-N 3.09Å; D388-V391 VanDerWaalsContact OD2-CA 3.26Å; D388-V391 WeakPolarHBondContact OD2-CA 3.38Å; D388-V391 PolarHBondContact OD2-N 3.46Å; D388-A392 WeakPolarHBondContact O-CB 3.42Å; D388-H448 HydrophobicContact CB-CB 4.29Å; D388-H448 VanDerWaalsContact CG-ND1 3.27Å; D388-H448 WeakPolarHBondContact OD1-CB 3.33Å; D388-H448 IonicContact OD1-CG 2.66Å; D388-H448 IonicContact OD1-ND1 3.27Å; D388-H448 PolarHBondContact OD1-ND1 3.33Å; D388-H448 IonicContact OD2-CE1 3.22Å; D388-H448 IonicContact OD2-CG 3.56Å; D388-H448 IonicContact OD2-ND1 3.19Å; D388-H448 PolarHBondContact OD2-ND1 3.14Å
389	I	96.5	Very high	97.8	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	10%	0.101	C	C	.	.	S	Bend	trans	-102.5	-46.2	171.2	-63.1	157.2	0	0	0	111.1	F252 L253 I256 L258 F305 Y314 F317 V391	F252-I389 HydrophobicContact CE1-CB 4.41Å; F252-I389 HydrophobicContact CE1-CG1 4.45Å; F252-I389 HydrophobicContact CE1-CG2 4.26Å; L253-I389 HydrophobicContact CD2-CG2 3.57Å; I256-I389 HydrophobicContact CD1-CG1 4.5Å; L258-I389 HydrophobicContact CD1-CD1 3.93Å; L258-I389 HydrophobicContact CD1-CG1 4.43Å; F305-I389 HydrophobicContact CE2-CD1 4.23Å; F305-I389 HydrophobicContact CE2-CG2 4.22Å; F305-I389 HydrophobicContact CZ-CD1 3.8Å; Y314-I389 VanDerWaalsContact O-CB 3.23Å; Y314-I389 WeakPolarHBondContact O-CB 3.42Å; Y314-I389 PolarHBondContact O-N 3.28Å; Y314-I389 VanDerWaalsContact O-N 3.09Å; F317-I389 HydrophobicContact CB-CD1 3.58Å; F317-I389 HydrophobicContact CB-CG1 3.88Å; F317-I389 HydrophobicContact CD1-CG1 4.34Å; I389-V391 PolarHBondContact O-N 3.39Å
390	I	95.4	Very high	97.7	Very high	20 Å²	20	18.2 Å²	18.2	10%	0.103	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-37.6	-167.6	-172	64.9	0	0	0	111.7	Y249 L294 Y314 Y315 D388 H448	Y249-I390 WeakPolarHBondContact CE1-O 3.48Å; Y249-I390 PolarHBondContact OH-O 2.95Å; L294-I390 HydrophobicContact CD1-CD1 4.11Å; Y314-I390 HydrophobicContact CD2-CB 3.53Å; Y314-I390 HydrophobicContact CD2-CD1 4.37Å; Y314-I390 HydrophobicContact CD2-CG1 4.06Å; Y314-I390 HydrophobicContact CD2-CG2 3.77Å; Y314-I390 HydrophobicContact CE2-CB 4Å; Y314-I390 HydrophobicContact CE2-CD1 4.38Å; Y314-I390 HydrophobicContact CE2-CG1 4.04Å; Y314-I390 HydrophobicContact CE2-CG2 4.12Å; Y314-I390 HydrophobicContact CG-CB 4.29Å; Y314-I390 PolarHBondContact O-N 3.5Å; Y315-I390 HydrophobicContact CD1-CG2 3.96Å; Y315-I390 HydrophobicContact CE1-CG2 4.07Å; D388-I390 WeakPolarHBondContact OD1-CG2 3.18Å; D388-I390 PolarHBondContact OD1-N 3.44Å; D388-I390 VanDerWaalsContact OD1-N 3.09Å; I390-H448 WeakPolarHBondContact CG2-ND1 3.5Å
391	V	96.6	Very high	97.5	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.4	52	172.9	-162.3	0	0	0	0	110.4	D237 G238 Y239 I245 N384 D388 I389	D237-V391 HydrophobicContact CB-CB 4.39Å; D237-V391 WeakPolarHBondContact O-CB 3.47Å; D237-V391 WeakPolarHBondContact O-CG1 3.48Å; D237-V391 VanDerWaalsContact O-CG2 3.29Å; D237-V391 WeakPolarHBondContact O-CG2 3.4Å; G238-V391 WeakPolarHBondContact O-CG1 3.27Å; Y239-V391 HydrophobicContact CD2-CG2 4.24Å; I245-V391 HydrophobicContact CD1-CG1 4.44Å; N384-V391 PolarHBondContact ND2-O 3.19Å; D388-V391 VanDerWaalsContact OD2-CA 3.26Å; D388-V391 WeakPolarHBondContact OD2-CA 3.38Å; D388-V391 PolarHBondContact OD2-N 3.46Å; I389-V391 PolarHBondContact O-N 3.39Å
392	A	97.8	Very high	97.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	13%	0.132	C	C	.	.			trans	-52.9	148.8	-174.5	0	0	0	0	0	113.9	F252 D388 A394 L395 T396	F252-A392 HydrophobicContact CD1-CB 4.06Å; F252-A392 HydrophobicContact CD2-CB 4.26Å; F252-A392 HydrophobicContact CE1-CB 3.55Å; F252-A392 HydrophobicContact CE2-CB 3.77Å; F252-A392 HydrophobicContact CG-CB 4.39Å; F252-A392 HydrophobicContact CZ-CB 3.37Å; D388-A392 WeakPolarHBondContact O-CB 3.42Å; A392-A394 PolarHBondContact O-N 3.22Å; A392-L395 HydrophobicContact CB-CD1 4.17Å; A392-L395 HydrophobicContact CB-CG 4.11Å; A392-L395 WeakPolarHBondContact O-CA 3.48Å; A392-L395 WeakPolarHBondContact O-CB 3.5Å; A392-L395 PolarHBondContact O-N 3.13Å; A392-T396 PolarHBondContact O-N 3.26Å; A392-T396 VanDerWaalsContact O-N 3.08Å
393	A	97.7	Very high	97.1	Very high	14 Å²	14	23.7 Å²	23.7	12%	0.116	13%	0.132	C	C	.	.	H	α-helix	trans	-51.9	-34.3	179.4	0	0	0	0	0	114	N384 E397 I442	N384-A393 HydrophobicContact CB-CB 3.73Å; A393-E397 WeakPolarHBondContact O-CB 3.05Å; A393-E397 PolarHBondContact O-N 2.6Å; A393-I442 HydrophobicContact CB-CD1 4.29Å; A393-I442 HydrophobicContact CB-CG1 4.13Å; A393-I442 HydrophobicContact CB-CG2 4.29Å
394	A	97.4	Very high	96.9	Very high	55 Å²	55	29.7 Å²	29.7	46%	0.455	16%	0.164	S	C	.	.	H	α-helix	trans	-69.6	-32.5	177	0	0	0	0	0	113.1	F252 A392 R398	F252-A394 HydrophobicContact CD2-CB 4.12Å; A392-A394 PolarHBondContact O-N 3.22Å; A394-R398 WeakPolarHBondContact O-CB 3.45Å; A394-R398 PolarHBondContact O-N 2.98Å
395	L	98.2	Very high	96.8	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-75.1	-41	177.5	-52.4	179.2	0	0	0	110.6	I245 Y249 F252 A392 R398 S399	I245-L395 HydrophobicContact CG1-CB 4.49Å; I245-L395 HydrophobicContact CG2-CB 4.08Å; I245-L395 HydrophobicContact CG2-CD1 4Å; Y249-L395 HydrophobicContact CD1-CD1 3.47Å; Y249-L395 VanDerWaalsContact CD1-CD1 3.47Å; Y249-L395 HydrophobicContact CE1-CD1 3.28Å; Y249-L395 HydrophobicContact CG-CD1 4.34Å; F252-L395 HydrophobicContact CB-CD2 4.16Å; A392-L395 HydrophobicContact CB-CD1 4.17Å; A392-L395 HydrophobicContact CB-CG 4.11Å; A392-L395 WeakPolarHBondContact O-CA 3.48Å; A392-L395 WeakPolarHBondContact O-CB 3.5Å; A392-L395 PolarHBondContact O-N 3.13Å; L395-R398 WeakPolarHBondContact O-CB 3.37Å; L395-R398 PolarHBondContact O-N 2.83Å; L395-S399 PolarHBondContact O-N 3.48Å
396	T	97.8	Very high	96.7	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-45	172.8	-58.6	0	0	0	0	111.1	M382 N384 A392 R398 S399 L400	M382-T396 HydrophobicContact CE-CG2 4.25Å; N384-T396 PolarHBondContact ND2-OG1 3.06Å; N384-T396 WeakPolarHBondContact OD1-CB 3.46Å; N384-T396 WeakPolarHBondContact OD1-CG2 3.42Å; N384-T396 PolarHBondContact OD1-OG1 3.26Å; A392-T396 PolarHBondContact O-N 3.26Å; A392-T396 VanDerWaalsContact O-N 3.08Å; T396-R398 VanDerWaalsContact C-N 3.29Å; T396-R398 PolarHBondContact O-N 3.22Å; T396-S399 PolarHBondContact O-N 3.44Å; T396-L400 HydrophobicContact CG2-CD1 4.05Å; T396-L400 HydrophobicContact CG2-CG 4.38Å; T396-L400 WeakPolarHBondContact O-CG 3.21Å; T396-L400 PolarHBondContact O-N 3.45Å
397	E	96.9	Very high	96.7	Very high	38 Å²	38	33.8 Å²	33.8	18%	0.178	18%	0.181	C	C	.	.	H	α-helix	trans	-56.9	-43.2	173.2	177.5	74.2	154.2	0	0	111.9	A393 S399 L400 M401 Y411 R433 Q440	A393-E397 WeakPolarHBondContact O-CB 3.05Å; A393-E397 PolarHBondContact O-N 2.6Å; E397-S399 VanDerWaalsContact C-N 3.34Å; E397-S399 PolarHBondContact O-N 3.3Å; E397-L400 PolarHBondContact O-N 3.16Å; E397-M401 HydrophobicContact CG-CG 4.4Å; E397-M401 WeakPolarHBondContact O-CB 3.29Å; E397-M401 WeakPolarHBondContact O-CG 3.42Å; E397-M401 PolarHBondContact O-N 3.11Å; E397-Y411 PolarHBondContact OE2-OH 3.38Å; E397-R433 IonicContact OE1-CZ 3.26Å; E397-R433 VanDerWaalsContact OE1-CZ 3.26Å; E397-R433 IonicContact OE1-NH1 2.69Å; E397-R433 PolarHBondContact OE1-NH1 2.96Å; E397-R433 IonicContact OE1-NH2 2.89Å; E397-R433 PolarHBondContact OE1-NH2 2.88Å; E397-R433 IonicContact OE2-NH1 2.99Å; E397-R433 PolarHBondContact OE2-NH1 3.21Å; E397-Q440 PolarHBondContact OE2-NE2 2.9Å; E397-Q440 PolarHBondContact OE2-OE1 3.44Å
398	R	96.6	Very high	96.7	Very high	133 Å²	133	33.2 Å²	33.2	50%	0.502	18%	0.179	S	C	.	.	H	α-helix	trans	-59.9	-43.7	176.8	176.8	177.3	177	80.7	3.2	111.9	S244 A394 L395 T396 G402	S244-R398 WeakPolarHBondContact O-CD 3.41Å; S244-R398 PolarHBondContact O-NE 2.79Å; A394-R398 WeakPolarHBondContact O-CB 3.45Å; A394-R398 PolarHBondContact O-N 2.98Å; L395-R398 WeakPolarHBondContact O-CB 3.37Å; L395-R398 PolarHBondContact O-N 2.83Å; T396-R398 VanDerWaalsContact C-N 3.29Å; T396-R398 PolarHBondContact O-N 3.22Å; R398-G402 PolarHBondContact O-N 2.96Å
399	S	96.8	Very high	96.7	Very high	8 Å²	8	38.5 Å²	38.5	6%	0.056	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-52	174.8	177.1	0	0	0	0	111.5	D241 L395 T396 E397 M401 G402 M403	D241-S399 WeakPolarHBondContact CB-OG 3.4Å; D241-S399 PolarHBondContact OD2-OG 3.39Å; L395-S399 PolarHBondContact O-N 3.48Å; T396-S399 PolarHBondContact O-N 3.44Å; E397-S399 VanDerWaalsContact C-N 3.34Å; E397-S399 PolarHBondContact O-N 3.3Å; S399-M401 VanDerWaalsContact C-N 3.28Å; S399-M401 PolarHBondContact O-N 3.07Å; S399-G402 CarbonylContact O-C 3.16Å; S399-G402 WeakPolarHBondContact O-CA 3.49Å; S399-G402 PolarHBondContact O-N 2.55Å; S399-M403 WeakPolarHBondContact O-CG 3.29Å; S399-M403 PolarHBondContact O-N 2.96Å; S399-M403 VanDerWaalsContact O-N 3.17Å
400	L	97.1	Very high	96.8	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-57.5	-38.8	-178.3	-70.3	172.7	0	0	0	112.8	M375 M382 T396 E397 G402 M403 Y411 F438 Q440	M375-L400 HydrophobicContact CE-CD2 4.39Å; M382-L400 HydrophobicContact CG-CD2 4.33Å; T396-L400 HydrophobicContact CG2-CD1 4.05Å; T396-L400 HydrophobicContact CG2-CG 4.38Å; T396-L400 WeakPolarHBondContact O-CG 3.21Å; T396-L400 PolarHBondContact O-N 3.45Å; E397-L400 PolarHBondContact O-N 3.16Å; L400-G402 PolarHBondContact O-N 3.46Å; L400-M403 HydrophobicContact CD2-SD 3.83Å; L400-M403 PolarHBondContact O-N 3.45Å; L400-Y411 HydrophobicContact CB-CE1 3.89Å; L400-Y411 WeakPolarHBondContact CD1-OH 3.16Å; L400-F438 HydrophobicContact CD1-CE1 4.5Å; L400-F438 HydrophobicContact CD1-CZ 3.94Å; L400-F438 HydrophobicContact CD2-CE2 4.15Å; L400-F438 HydrophobicContact CD2-CZ 3.62Å; L400-F438 HydrophobicContact CG-CZ 4.42Å; L400-Q440 HydrophobicContact CD1-CB 4.44Å; L400-Q440 HydrophobicContact CD1-CG 4.06Å
401	M	96.1	Very high	96.9	Very high	75 Å²	75	43.5 Å²	43.5	37%	0.369	23%	0.227	S	C	.	.	H	α-helix	trans	-65.7	-24.2	176.3	-70.9	-65	-78	0	0	113.3	E397 S399 Y411 K412	E397-M401 HydrophobicContact CG-CG 4.4Å; E397-M401 WeakPolarHBondContact O-CB 3.29Å; E397-M401 WeakPolarHBondContact O-CG 3.42Å; E397-M401 PolarHBondContact O-N 3.11Å; S399-M401 VanDerWaalsContact C-N 3.28Å; S399-M401 PolarHBondContact O-N 3.07Å; M401-Y411 HydrophobicContact SD-CD1 4.07Å; M401-Y411 HydrophobicContact SD-CE1 3.95Å; M401-K412 HydrophobicContact CE-CB 4.42Å; M401-K412 HydrophobicContact CE-CG 3.88Å; M401-K412 VanDerWaalsContact O-CE 3.28Å; M401-K412 WeakPolarHBondContact O-CE 3.31Å; M401-K412 HydrophobicContact SD-CG 4.02Å
402	G	92.8	Very high	96.9	Very high	43 Å²	43	48 Å²	48	44%	0.443	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	0.1	175.6	0	0	0	0	0	114.8	K368 R398 S399 L400	K368-G402 WeakPolarHBondContact CE-O 3.24Å; K368-G402 PolarHBondContact NZ-O 3.39Å; R398-G402 PolarHBondContact O-N 2.96Å; S399-G402 CarbonylContact O-C 3.16Å; S399-G402 WeakPolarHBondContact O-CA 3.49Å; S399-G402 PolarHBondContact O-N 2.55Å; L400-G402 PolarHBondContact O-N 3.46Å
403	M	94.6	Very high	96.9	Very high	3 Å²	3	56 Å²	56	2%	0.015	28%	0.281	C	S	.	.			trans	-83.2	145.5	176.5	-60.8	-170.4	94	0	0	111.6	K368 L371 M375 S399 L400 S408	K368-M403 HydrophobicContact CB-CE 4.46Å; K368-M403 HydrophobicContact CG-CE 3.77Å; L371-M403 HydrophobicContact CB-CE 3.98Å; L371-M403 HydrophobicContact CD2-CE 3.62Å; L371-M403 HydrophobicContact CD2-SD 4.24Å; L371-M403 HydrophobicContact CG-CE 3.73Å; M375-M403 HydrophobicContact CE-SD 4.28Å; M375-M403 HydrophobicContact SD-CE 3.94Å; M375-M403 HydrophobicContact SD-SD 3.81Å; S399-M403 WeakPolarHBondContact O-CG 3.29Å; S399-M403 PolarHBondContact O-N 2.96Å; S399-M403 VanDerWaalsContact O-N 3.17Å; L400-M403 HydrophobicContact CD2-SD 3.83Å; L400-M403 PolarHBondContact O-N 3.45Å; M403-S408 WeakPolarHBondContact O-CB 3.49Å
404	D	94.7	Very high	96.9	Very high	128 Å²	128	56.7 Å²	56.7	68%	0.684	29%	0.286	S	S	*	.			trans	-116.2	80.9	179.1	-167.8	25.4	0	0	0	111.2	T372	T372-D404 WeakPolarHBondContact CG2-O 3.3Å
405	W	97.3	Very high	96.8	Very high	11 Å²	11	61.8 Å²	61.8	4%	0.042	30%	0.3	C	S	.	.	S	Bend	trans	-115.9	169.2	175.4	65.2	-79.6	0	0	0	109.7	T372 M375 G407 S408 Y411 V435 F438	T372-W405 HydrophobicContact CG2-CB 4.03Å; M375-W405 HydrophobicContact CB-CB 4.25Å; M375-W405 HydrophobicContact CB-CD2 4.42Å; M375-W405 HydrophobicContact CB-CE3 4.36Å; M375-W405 HydrophobicContact CB-CG 4.37Å; M375-W405 HydrophobicContact CE-CB 4.46Å; M375-W405 HydrophobicContact CE-CD2 3.68Å; M375-W405 HydrophobicContact CE-CE3 4.44Å; M375-W405 HydrophobicContact CE-CG 3.63Å; M375-W405 HydrophobicContact CE-CZ2 4.22Å; M375-W405 VanDerWaalsContact CE-NE1 3.33Å; M375-W405 HydrophobicContact SD-CG 4.45Å; W405-G407 VanDerWaalsContact CH2-CA 3.5Å; W405-G407 VanDerWaalsContact CZ3-N 3.33Å; W405-G407 PolarHBondContact O-N 3.39Å; W405-S408 WeakPolarHBondContact O-CB 3.49Å; W405-S408 PolarHBondContact O-N 3.02Å; W405-S408 PolarHBondContact O-OG 3.46Å; W405-S408 VanDerWaalsContact O-OG 3.08Å; W405-Y411 HydrophobicContact CZ2-CD2 4.5Å; W405-Y411 HydrophobicContact CZ2-CG 4.45Å; W405-V435 HydrophobicContact CH2-CB 3.91Å; W405-V435 HydrophobicContact CH2-CG1 3.71Å; W405-V435 HydrophobicContact CZ2-CB 4.49Å; W405-V435 HydrophobicContact CZ2-CG1 4.47Å; W405-V435 HydrophobicContact CZ3-CG1 4.47Å; W405-F438 HydrophobicContact CH2-CB 3.54Å; W405-F438 HydrophobicContact CH2-CD1 4.21Å; W405-F438 AromaticContact CH2-CG 3.98Å; W405-F438 HydrophobicContact CH2-CG 3.98Å; W405-F438 HydrophobicContact CZ2-CB 4.1Å; W405-F438 AromaticContact CZ2-CD1 3.95Å; W405-F438 HydrophobicContact CZ2-CD1 3.95Å; W405-F438 HydrophobicContact CZ2-CG 4.01Å; W405-F438 HydrophobicContact CZ3-CB 4.02Å
406	K	97.5	Very high	96.7	Very high	145 Å²	145	65.2 Å²	65.2	63%	0.63	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.4	-172.2	67.7	-176.4	-179.3	-177.6	0	114.6	N376	N376-K406 HydrophobicContact CB-CD 4.45Å; N376-K406 VanDerWaalsContact O-CE 3.29Å; N376-K406 WeakPolarHBondContact O-CE 3.44Å; N376-K406 PolarHBondContact O-NZ 3.5Å; N376-K406 WeakPolarHBondContact OD1-CB 3.49Å; N376-K406 WeakPolarHBondContact OD1-CG 3.24Å; N376-K406 PolarHBondContact OD1-N 3.33Å
407	G	97.8	Very high	96.7	Very high	4 Å²	4	71.8 Å²	71.8	4%	0.041	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	9.8	178.8	0	0	0	0	0	114.6	W405 Q409 E410 Y411	W405-G407 VanDerWaalsContact CH2-CA 3.5Å; W405-G407 VanDerWaalsContact CZ3-N 3.33Å; W405-G407 PolarHBondContact O-N 3.39Å; G407-Q409 VanDerWaalsContact C-N 3.3Å; G407-Q409 PolarHBondContact O-N 3.34Å; G407-E410 PolarHBondContact O-N 3.06Å; G407-E410 VanDerWaalsContact O-N 3.13Å; G407-Y411 WeakPolarHBondContact O-CB 3.33Å; G407-Y411 PolarHBondContact O-N 3.35Å
408	S	97.3	Very high	96.7	Very high	5 Å²	5	74.4 Å²	74.4	4%	0.035	36%	0.362	C	S	.	.	H	α-helix	trans	-58.5	-38.1	-175.1	68.1	0	0	0	0	113.4	M403 W405 Y411 K412	M403-S408 WeakPolarHBondContact O-CB 3.49Å; W405-S408 WeakPolarHBondContact O-CB 3.49Å; W405-S408 PolarHBondContact O-N 3.02Å; W405-S408 PolarHBondContact O-OG 3.46Å; W405-S408 VanDerWaalsContact O-OG 3.08Å; S408-Y411 PolarHBondContact O-N 2.62Å; S408-K412 WeakPolarHBondContact O-CG 3.1Å; S408-K412 PolarHBondContact O-N 2.96Å
409	Q	97.8	Very high	96.8	Very high	110 Å²	110	68.1 Å²	68.1	51%	0.514	34%	0.338	S	S	.	.	H	α-helix	trans	-73.1	-33.7	178.5	-62.5	-59.1	-33.2	0	0	112.8	G407 K413	G407-Q409 VanDerWaalsContact C-N 3.3Å; G407-Q409 PolarHBondContact O-N 3.34Å; Q409-K413 WeakPolarHBondContact O-CG 3.46Å
410	E	98.3	Very high	96.8	Very high	128 Å²	128	70.6 Å²	70.6	60%	0.598	35%	0.348	S	S	*	.	H	α-helix	trans	-71.6	-40.9	173.2	-68.1	-179.1	177.4	0	0	110.4	G407 K412 K413 A414 V435	G407-E410 PolarHBondContact O-N 3.06Å; G407-E410 VanDerWaalsContact O-N 3.13Å; E410-K412 VanDerWaalsContact C-N 3.31Å; E410-K412 PolarHBondContact O-N 3.38Å; E410-K413 CarbonylContact O-C 3.5Å; E410-K413 WeakPolarHBondContact O-CA 3.04Å; E410-K413 PolarHBondContact O-N 3.01Å; E410-A414 WeakPolarHBondContact O-CB 3.41Å; E410-A414 PolarHBondContact O-N 3.19Å; E410-V435 HydrophobicContact CB-CG1 3.76Å; E410-V435 HydrophobicContact CB-CG2 4.29Å; E410-V435 WeakPolarHBondContact OE2-CG1 3.11Å
411	Y	98.1	Very high	96.9	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-57.9	-41.8	177.8	-175.9	-98.1	0	0	0	112.8	E397 L400 M401 W405 G407 S408 K413 A414 R433 V435 F438 Q440	E397-Y411 PolarHBondContact OE2-OH 3.38Å; L400-Y411 HydrophobicContact CB-CE1 3.89Å; L400-Y411 WeakPolarHBondContact CD1-OH 3.16Å; M401-Y411 HydrophobicContact SD-CD1 4.07Å; M401-Y411 HydrophobicContact SD-CE1 3.95Å; W405-Y411 HydrophobicContact CZ2-CD2 4.5Å; W405-Y411 HydrophobicContact CZ2-CG 4.45Å; G407-Y411 WeakPolarHBondContact O-CB 3.33Å; G407-Y411 PolarHBondContact O-N 3.35Å; S408-Y411 PolarHBondContact O-N 2.62Å; Y411-K413 PolarHBondContact O-N 3.26Å; Y411-A414 PolarHBondContact O-N 3.15Å; Y411-R433 HydrophobicContact CD2-CG 4.33Å; Y411-R433 VanDerWaalsContact CE1-NH1 3.34Å; Y411-R433 HydrophobicContact CE2-CB 4.44Å; Y411-R433 HydrophobicContact CE2-CG 4.05Å; Y411-R433 PolarHBondContact OH-NH1 3.12Å; Y411-V435 HydrophobicContact CD2-CG2 4.29Å; Y411-F438 AromaticContact CD2-CD1 3.97Å; Y411-F438 HydrophobicContact CD2-CD1 3.97Å; Y411-F438 AromaticContact CD2-CE1 3.82Å; Y411-F438 HydrophobicContact CD2-CE1 3.82Å; Y411-F438 HydrophobicContact CE2-CD1 4.02Å; Y411-F438 AromaticContact CE2-CE1 3.43Å; Y411-F438 HydrophobicContact CE2-CE1 3.43Å; Y411-F438 VanDerWaalsContact CE2-CE1 3.43Å; Y411-F438 HydrophobicContact CE2-CZ 4.49Å; Y411-Q440 HydrophobicContact CE2-CB 4.3Å; Y411-Q440 PolarHBondContact OH-NE2 3.23Å; Y411-Q440 PolarHBondContact OH-OE1 3.2Å
412	K	96.8	Very high	96.9	Very high	97 Å²	97	70.9 Å²	70.9	42%	0.422	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.3	175.6	-71.9	168.4	-175.4	170.8	0	113.6	M401 S408 E410	M401-K412 HydrophobicContact CE-CB 4.42Å; M401-K412 HydrophobicContact CE-CG 3.88Å; M401-K412 VanDerWaalsContact O-CE 3.28Å; M401-K412 WeakPolarHBondContact O-CE 3.31Å; M401-K412 HydrophobicContact SD-CG 4.02Å; S408-K412 WeakPolarHBondContact O-CG 3.1Å; S408-K412 PolarHBondContact O-N 2.96Å; E410-K412 VanDerWaalsContact C-N 3.31Å; E410-K412 PolarHBondContact O-N 3.38Å
413	K	97.1	Very high	97.1	Very high	169 Å²	169	76.1 Å²	76.1	74%	0.735	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-20.9	179.6	-61.5	172.6	-173	173.5	0	112.5	Q409 E410 Y411 E415	Q409-K413 WeakPolarHBondContact O-CG 3.46Å; E410-K413 CarbonylContact O-C 3.5Å; E410-K413 WeakPolarHBondContact O-CA 3.04Å; E410-K413 PolarHBondContact O-N 3.01Å; Y411-K413 PolarHBondContact O-N 3.26Å; K413-E415 PolarHBondContact O-N 3.2Å
414	A	97.5	Very high	97.1	Very high	27 Å²	27	80.2 Å²	80.2	22%	0.223	39%	0.387	C	S	.	.			trans	-67.9	129.2	-174.2	0	0	0	0	0	111.2	E410 Y411 R433 V435	E410-A414 WeakPolarHBondContact O-CB 3.41Å; E410-A414 PolarHBondContact O-N 3.19Å; Y411-A414 PolarHBondContact O-N 3.15Å; A414-R433 HydrophobicContact CB-CG 3.83Å; A414-R433 WeakPolarHBondContact O-CD 3.01Å; A414-R433 PolarHBondContact O-NE 3.49Å; A414-V435 HydrophobicContact CB-CG2 3.71Å
415	E	96.1	Very high	97.2	Very high	162 Å²	162	76.4 Å²	76.4	76%	0.757	37%	0.367	S	S	*	.			trans	-72.6	143.9	177.7	-64.7	-177.2	172.8	0	0	111.2	K413	K413-E415 PolarHBondContact O-N 3.2Å
416	K	95.8	Very high	97.1	Very high	76 Å²	76	83.3 Å²	83.3	33%	0.33	40%	0.404	S	S	.	.			trans	-85.1	114.7	171.6	-177.7	169	-71.2	176.3	0	108.4	Y431 V432 I442	K416-Y431 HydrophobicContact CD-CG 4.48Å; K416-V432 CarbonylContact C-O 3.49Å; K416-V432 WeakPolarHBondContact CA-O 3.37Å; K416-I442 HydrophobicContact CD-CD1 4.24Å
417	K	97.4	Very high	97	Very high	141 Å²	141	81.3 Å²	81.3	61%	0.613	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	149	-178.6	-63	-176.7	179.7	-179.9	0	111.2	Y431 V432	K417-Y431 CarbonylContact O-C 3.55Å; K417-Y431 VanDerWaalsContact O-CA 3.27Å; K417-Y431 WeakPolarHBondContact O-CA 3.43Å; K417-V432 PolarHBondContact N-O 3.16Å; K417-V432 PolarHBondContact O-N 3.05Å
418	V	98	Very high	97	Very high	94 Å²	94	82.6 Å²	82.6	57%	0.57	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	130	171.2	177.7	0	0	0	0	108.8	V428 Y431	V418-V428 HydrophobicContact CG1-CB 4.31Å; V418-V428 HydrophobicContact CG1-CG1 3.72Å; V418-V428 HydrophobicContact CG1-CG2 3.58Å; V418-Y431 HydrophobicContact CG2-CD1 4.35Å; V418-Y431 HydrophobicContact CG2-CE1 4.31Å
419	W	98	Very high	97.1	Very high	1 Å²	1	82.5 Å²	82.5	0%	0.004	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.1	175.7	164.8	55.2	0	0	0	111	I421 V428 A429 G430 V432 V441 I443 R457 D460 M461 W471	W419-I421 HydrophobicContact CZ2-CG1 4.04Å; W419-V428 WeakPolarHBondContact O-CG1 3.34Å; W419-A429 HydrophobicContact CD2-CB 3.88Å; W419-A429 HydrophobicContact CE3-CB 3.78Å; W419-A429 HydrophobicContact CH2-CB 4.1Å; W419-A429 HydrophobicContact CZ2-CB 4.19Å; W419-A429 HydrophobicContact CZ3-CB 3.9Å; W419-A429 WeakPolarHBondContact O-CB 3.18Å; W419-A429 PolarHBondContact O-N 2.83Å; W419-G430 PolarHBondContact N-O 2.77Å; W419-G430 PolarHBondContact O-N 3.48Å; W419-V432 HydrophobicContact CB-CG2 3.66Å; W419-V432 HydrophobicContact CD2-CG2 4.48Å; W419-V432 HydrophobicContact CG-CG2 4.16Å; W419-V441 HydrophobicContact CE3-CG1 4.34Å; W419-V441 HydrophobicContact CZ3-CG1 4.2Å; W419-I443 HydrophobicContact CZ3-CG1 4.25Å; W419-R457 HydrophobicContact CH2-CB 4.11Å; W419-R457 WeakPolarHBondContact CH2-O 3.34Å; W419-D460 HydrophobicContact CZ2-CB 4.16Å; W419-D460 VanDerWaalsContact CZ2-OD2 3.24Å; W419-D460 WeakPolarHBondContact CZ2-OD2 3.32Å; W419-D460 PolarHBondContact NE1-OD2 2.99Å; W419-M461 HydrophobicContact CH2-CB 3.93Å; W419-W471 HydrophobicContact CD2-CE3 4.1Å; W419-W471 HydrophobicContact CD2-CZ3 4.13Å; W419-W471 HydrophobicContact CE3-CZ3 4.41Å; W419-W471 HydrophobicContact CG-CE3 4.04Å; W419-W471 HydrophobicContact CZ2-CZ3 4.34Å
420	K	97.9	Very high	97.1	Very high	59 Å²	59	77.2 Å²	77.2	26%	0.257	38%	0.379	S	S	.	.			trans	-121.6	149.9	168.2	-68.8	-173.9	169.8	-167.9	0	107.9	D425 P473	K420-D425 HydrophobicContact CD-CB 4.4Å; K420-D425 WeakPolarHBondContact CE-O 3.27Å; K420-D425 PolarHBondContact NZ-O 3.34Å; K420-P473 HydrophobicContact CB-CB 4.22Å; K420-P473 WeakPolarHBondContact O-CB 3.32Å
421	I	97.6	Very high	97.1	Very high	7 Å²	7	74.8 Å²	74.8	4%	0.036	37%	0.365	C	S	.	.	S	Bend	trans	-74.5	-53.9	176.5	-59.6	-178.7	0	0	0	108.3	W419 D425 A429 L456 R457 D460 P473 Y474	W419-I421 HydrophobicContact CZ2-CG1 4.04Å; I421-D425 PolarHBondContact N-OD2 3.44Å; I421-A429 HydrophobicContact CG1-CB 4.03Å; I421-L456 HydrophobicContact CD1-CD1 4.28Å; I421-L456 HydrophobicContact CD1-CD2 4.14Å; I421-L456 HydrophobicContact CD1-CG 3.71Å; I421-R457 HydrophobicContact CD1-CG 4.12Å; I421-D460 HydrophobicContact CD1-CB 4.08Å; I421-D460 HydrophobicContact CG1-CB 4.3Å; I421-D460 HydrophobicContact CG2-CB 4.46Å; I421-P473 WeakPolarHBondContact O-CA 3.28Å; I421-Y474 HydrophobicContact CG2-CD2 4.06Å; I421-Y474 HydrophobicContact CG2-CE2 4.16Å; I421-Y474 WeakPolarHBondContact O-CD2 3.49Å; I421-Y474 PolarHBondContact O-N 3.06Å
422	F	97.3	Very high	97.1	Very high	78 Å²	78	75 Å²	75	34%	0.342	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-111.8	148.5	175.1	-57.7	-81.9	0	0	0	111.3	S424 D425 Y474	F422-S424 PolarHBondContact O-N 3.03Å; F422-D425 PolarHBondContact N-OD2 2.94Å; F422-D425 WeakPolarHBondContact O-CB 3.4Å; F422-D425 PolarHBondContact O-N 3.37Å; F422-Y474 HydrophobicContact CD1-CD2 4.41Å; F422-Y474 HydrophobicContact CE1-CD2 4.2Å
423	K	95.9	Very high	97.2	Very high	153 Å²	153	71.8 Å²	71.8	67%	0.665	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.3	177.5	-171.7	174.9	-180	178.7	0	112.1	D425 P473 Y474	K423-D425 VanDerWaalsContact C-N 3.31Å; K423-P473 HydrophobicContact CB-CB 4.37Å; K423-P473 HydrophobicContact CB-CG 4.34Å; K423-Y474 PolarHBondContact N-O 3.38Å
424	S	95.9	Very high	97.2	Very high	90 Å²	90	68.2 Å²	68.2	63%	0.629	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.1	176.5	51.9	0	0	0	0	114.1	F422 N426	F422-S424 PolarHBondContact O-N 3.03Å; S424-N426 PolarHBondContact O-N 3.02Å
425	D	96.3	Very high	97.2	Very high	48 Å²	48	67.5 Å²	67.5	26%	0.257	33%	0.33	S	S	.	.			trans	-62.8	128.4	-179.4	-70.4	-20.5	0	0	0	110.1	K420 I421 F422 K423 E427	K420-D425 HydrophobicContact CD-CB 4.4Å; K420-D425 WeakPolarHBondContact CE-O 3.27Å; K420-D425 PolarHBondContact NZ-O 3.34Å; I421-D425 PolarHBondContact N-OD2 3.44Å; F422-D425 PolarHBondContact N-OD2 2.94Å; F422-D425 WeakPolarHBondContact O-CB 3.4Å; F422-D425 PolarHBondContact O-N 3.37Å; K423-D425 VanDerWaalsContact C-N 3.31Å; D425-E427 VanDerWaalsContact C-N 3.33Å
426	N	95	Very high	97.3	Very high	156 Å²	156	62.4 Å²	62.4	83%	0.834	32%	0.321	S	S	*	.	S	Bend	trans	-69.7	-37	173.1	-69.1	-36.6	0	0	0	110.9	S424	S424-N426 PolarHBondContact O-N 3.02Å
427	E	96.1	Very high	97.3	Very high	102 Å²	102	63 Å²	63	48%	0.477	33%	0.328	S	S	.	.	S	Bend	trans	-92.5	152.1	-177.4	-67.1	-65.8	133.7	0	0	112.5	D425 R444	D425-E427 VanDerWaalsContact C-N 3.33Å; E427-R444 IonicContact OE2-CZ 3.75Å; E427-R444 VanDerWaalsContact OE2-CZ 3.27Å; E427-R444 IonicContact OE2-NH1 3.03Å; E427-R444 PolarHBondContact OE2-NH1 2.86Å; E427-R444 IonicContact OE2-NH2 3.57Å; E427-R444 PolarHBondContact OE2-NH2 3.26Å
428	V	97.4	Very high	97.4	Very high	32 Å²	32	56.5 Å²	56.5	19%	0.194	30%	0.3	C	S	.	.			trans	-82.7	133.6	169.9	172.8	0	0	0	0	109.2	V418 W419 G430 Y431	V418-V428 HydrophobicContact CG1-CB 4.31Å; V418-V428 HydrophobicContact CG1-CG1 3.72Å; V418-V428 HydrophobicContact CG1-CG2 3.58Å; W419-V428 WeakPolarHBondContact O-CG1 3.34Å; V428-G430 WeakPolarHBondContact CG1-O 3.45Å; V428-Y431 HydrophobicContact CG1-CE1 4.31Å
429	A	98.2	Very high	97.4	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.017	28%	0.275	C	S	.	.			trans	-76.6	-38.6	175.1	0	0	0	0	0	111.1	W419 I421 R444 R457	W419-A429 HydrophobicContact CD2-CB 3.88Å; W419-A429 HydrophobicContact CE3-CB 3.78Å; W419-A429 HydrophobicContact CH2-CB 4.1Å; W419-A429 HydrophobicContact CZ2-CB 4.19Å; W419-A429 HydrophobicContact CZ3-CB 3.9Å; W419-A429 WeakPolarHBondContact O-CB 3.18Å; W419-A429 PolarHBondContact O-N 2.83Å; I421-A429 HydrophobicContact CG1-CB 4.03Å; A429-R444 PolarHBondContact O-N 2.87Å; A429-R457 HydrophobicContact CB-CG 4.14Å
430	G	98.2	Very high	97.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.8	-158	178.8	0	0	0	0	0	113.3	W419 V428 I442	W419-G430 PolarHBondContact N-O 2.77Å; W419-G430 PolarHBondContact O-N 3.48Å; V428-G430 WeakPolarHBondContact CG1-O 3.45Å; G430-I442 CarbonylContact C-O 3.58Å; G430-I442 WeakPolarHBondContact CA-O 3.35Å
431	Y	98.6	Very high	97.5	Very high	76 Å²	76	49.8 Å²	49.8	30%	0.298	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.6	-178.5	-51	-82.8	0	0	0	110.4	K416 K417 V418 V428 V441 I442	K416-Y431 HydrophobicContact CD-CG 4.48Å; K417-Y431 CarbonylContact O-C 3.55Å; K417-Y431 VanDerWaalsContact O-CA 3.27Å; K417-Y431 WeakPolarHBondContact O-CA 3.43Å; V418-Y431 HydrophobicContact CG2-CD1 4.35Å; V418-Y431 HydrophobicContact CG2-CE1 4.31Å; V428-Y431 HydrophobicContact CG1-CE1 4.31Å; Y431-V441 CarbonylContact O-C 3.59Å; Y431-V441 WeakPolarHBondContact O-CA 3.34Å; Y431-I442 HydrophobicContact CD2-CB 4.41Å; Y431-I442 HydrophobicContact CD2-CG2 4.47Å; Y431-I442 PolarHBondContact N-O 3.25Å; Y431-I442 PolarHBondContact O-N 2.89Å
432	V	98.4	Very high	97.5	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.7	-173.3	-175.6	0	0	0	0	109.8	K416 K417 W419 Q440 V441 W471	K416-V432 CarbonylContact C-O 3.49Å; K416-V432 WeakPolarHBondContact CA-O 3.37Å; K417-V432 PolarHBondContact N-O 3.16Å; K417-V432 PolarHBondContact O-N 3.05Å; W419-V432 HydrophobicContact CB-CG2 3.66Å; W419-V432 HydrophobicContact CD2-CG2 4.48Å; W419-V432 HydrophobicContact CG-CG2 4.16Å; V432-Q440 CarbonylContact C-O 3.58Å; V432-Q440 WeakPolarHBondContact CA-O 3.4Å; V432-V441 HydrophobicContact CG1-CG2 4.26Å; V432-V441 HydrophobicContact CG2-CG1 4.4Å; V432-V441 HydrophobicContact CG2-CG2 4.22Å; V432-W471 HydrophobicContact CB-CD2 4.27Å; V432-W471 HydrophobicContact CB-CE3 4.48Å; V432-W471 HydrophobicContact CB-CG 4.36Å; V432-W471 HydrophobicContact CG1-CD2 3.74Å; V432-W471 HydrophobicContact CG1-CE3 4.34Å; V432-W471 HydrophobicContact CG1-CG 3.82Å; V432-W471 HydrophobicContact CG1-CZ2 4.34Å; V432-W471 HydrophobicContact CG2-CD2 3.72Å; V432-W471 HydrophobicContact CG2-CE3 3.47Å; V432-W471 VanDerWaalsContact CG2-CE3 3.47Å; V432-W471 HydrophobicContact CG2-CG 4.2Å; V432-W471 HydrophobicContact CG2-CZ3 3.93Å
433	R	98.1	Very high	97.6	Very high	30 Å²	30	46.6 Å²	46.6	11%	0.113	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.7	164.2	-172.1	-170.6	-74.7	144.3	-1.4	107.9	E397 Y411 A414 Q440	E397-R433 IonicContact OE1-CZ 3.26Å; E397-R433 VanDerWaalsContact OE1-CZ 3.26Å; E397-R433 IonicContact OE1-NH1 2.69Å; E397-R433 PolarHBondContact OE1-NH1 2.96Å; E397-R433 IonicContact OE1-NH2 2.89Å; E397-R433 PolarHBondContact OE1-NH2 2.88Å; E397-R433 IonicContact OE2-NH1 2.99Å; E397-R433 PolarHBondContact OE2-NH1 3.21Å; Y411-R433 HydrophobicContact CD2-CG 4.33Å; Y411-R433 VanDerWaalsContact CE1-NH1 3.34Å; Y411-R433 HydrophobicContact CE2-CB 4.44Å; Y411-R433 HydrophobicContact CE2-CG 4.05Å; Y411-R433 PolarHBondContact OH-NH1 3.12Å; A414-R433 HydrophobicContact CB-CG 3.83Å; A414-R433 WeakPolarHBondContact O-CD 3.01Å; A414-R433 PolarHBondContact O-NE 3.49Å; R433-Q440 HydrophobicContact CB-CB 4.41Å; R433-Q440 PolarHBondContact N-O 3.4Å; R433-Q440 PolarHBondContact O-N 3.48Å
434	Q	97.9	Very high	97.7	Very high	93 Å²	93	43.4 Å²	43.4	44%	0.435	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.5	-177.4	-179	-177.6	-3.8	0	0	110.5	G436 F438 H439	Q434-G436 PolarHBondContact NE2-O 3.25Å; Q434-F438 WeakPolarHBondContact CA-O 3.15Å; Q434-H439 PolarHBondContact NE2-NE2 3.3Å; Q434-H439 VanDerWaalsContact NE2-NE2 3.13Å
435	V	98.1	Very high	97.8	Very high	12 Å²	12	40.2 Å²	40.2	7%	0.073	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	107.4	170.9	172.8	0	0	0	0	108.1	W405 E410 Y411 A414 D437 F438	W405-V435 HydrophobicContact CH2-CB 3.91Å; W405-V435 HydrophobicContact CH2-CG1 3.71Å; W405-V435 HydrophobicContact CZ2-CB 4.49Å; W405-V435 HydrophobicContact CZ2-CG1 4.47Å; W405-V435 HydrophobicContact CZ3-CG1 4.47Å; E410-V435 HydrophobicContact CB-CG1 3.76Å; E410-V435 HydrophobicContact CB-CG2 4.29Å; E410-V435 WeakPolarHBondContact OE2-CG1 3.11Å; Y411-V435 HydrophobicContact CD2-CG2 4.29Å; A414-V435 HydrophobicContact CB-CG2 3.71Å; V435-D437 PolarHBondContact O-N 3.02Å; V435-F438 PolarHBondContact N-O 3.07Å; V435-F438 WeakPolarHBondContact O-CB 3.38Å; V435-F438 PolarHBondContact O-N 3.06Å
436	G	96.5	Very high	97.9	Very high	55 Å²	55	37.9 Å²	37.9	57%	0.567	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	-121	-171.8	0	0	0	0	0	111.3	Q434	Q434-G436 PolarHBondContact NE2-O 3.25Å
437	D	97.1	Very high	98	Very high	89 Å²	89	30.5 Å²	30.5	48%	0.476	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.4	-179.5	-63.8	-46.4	0	0	0	114.4	K379 V380 V435 H439	K379-D437 HydrophobicContact CB-CB 4.48Å; K379-D437 HydrophobicContact CG-CB 4Å; V380-D437 PolarHBondContact N-O 3.39Å; V380-D437 VanDerWaalsContact N-O 3.08Å; V435-D437 PolarHBondContact O-N 3.02Å; D437-H439 PolarHBondContact O-ND1 3.31Å; D437-H439 VanDerWaalsContact O-ND1 3.12Å
438	F	98.6	Very high	98.1	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.1	174.7	179.1	-96.9	0	0	0	111.5	M375 V380 M382 L400 W405 Y411 Q434 V435 Q440	M375-F438 HydrophobicContact CE-CD2 3.59Å; M375-F438 HydrophobicContact CE-CE2 3.56Å; M375-F438 HydrophobicContact CE-CG 4.23Å; M375-F438 HydrophobicContact CE-CZ 4.18Å; M375-F438 HydrophobicContact CG-CD2 4.32Å; M375-F438 HydrophobicContact SD-CE2 4.48Å; V380-F438 HydrophobicContact CB-CD2 3.88Å; V380-F438 HydrophobicContact CB-CE2 4.42Å; V380-F438 HydrophobicContact CG1-CD2 3.85Å; V380-F438 HydrophobicContact CG1-CE2 3.88Å; V380-F438 CarbonylContact O-C 3.58Å; V380-F438 WeakPolarHBondContact O-CA 3Å; M382-F438 HydrophobicContact CB-CE2 4.41Å; M382-F438 HydrophobicContact CB-CZ 4.26Å; M382-F438 HydrophobicContact CG-CE2 3.66Å; M382-F438 HydrophobicContact CG-CZ 3.89Å; L400-F438 HydrophobicContact CD1-CE1 4.5Å; L400-F438 HydrophobicContact CD1-CZ 3.94Å; L400-F438 HydrophobicContact CD2-CE2 4.15Å; L400-F438 HydrophobicContact CD2-CZ 3.62Å; L400-F438 HydrophobicContact CG-CZ 4.42Å; W405-F438 HydrophobicContact CH2-CB 3.54Å; W405-F438 HydrophobicContact CH2-CD1 4.21Å; W405-F438 AromaticContact CH2-CG 3.98Å; W405-F438 HydrophobicContact CH2-CG 3.98Å; W405-F438 HydrophobicContact CZ2-CB 4.1Å; W405-F438 AromaticContact CZ2-CD1 3.95Å; W405-F438 HydrophobicContact CZ2-CD1 3.95Å; W405-F438 HydrophobicContact CZ2-CG 4.01Å; W405-F438 HydrophobicContact CZ3-CB 4.02Å; Y411-F438 AromaticContact CD2-CD1 3.97Å; Y411-F438 HydrophobicContact CD2-CD1 3.97Å; Y411-F438 AromaticContact CD2-CE1 3.82Å; Y411-F438 HydrophobicContact CD2-CE1 3.82Å; Y411-F438 HydrophobicContact CE2-CD1 4.02Å; Y411-F438 AromaticContact CE2-CE1 3.43Å; Y411-F438 HydrophobicContact CE2-CE1 3.43Å; Y411-F438 VanDerWaalsContact CE2-CE1 3.43Å; Y411-F438 HydrophobicContact CE2-CZ 4.49Å; Q434-F438 WeakPolarHBondContact CA-O 3.15Å; V435-F438 PolarHBondContact N-O 3.07Å; V435-F438 WeakPolarHBondContact O-CB 3.38Å; V435-F438 PolarHBondContact O-N 3.06Å; F438-Q440 HydrophobicContact CE1-CB 4.15Å; F438-Q440 HydrophobicContact CZ-CB 4.46Å
439	H	98.6	Very high	98.1	Very high	13 Å²	13	24.4 Å²	24.4	6%	0.06	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.4	-179.4	-57.2	80.3	0	0	0	110.2	V380 L381 M382 Q434 D437 F465 W471	V380-H439 PolarHBondContact O-N 3.31Å; L381-H439 CarbonylContact C-O 3.54Å; L381-H439 WeakPolarHBondContact CA-O 3.4Å; L381-H439 HydrophobicContact CD1-CB 3.71Å; M382-H439 PolarHBondContact N-O 3.01Å; Q434-H439 PolarHBondContact NE2-NE2 3.3Å; Q434-H439 VanDerWaalsContact NE2-NE2 3.13Å; D437-H439 PolarHBondContact O-ND1 3.31Å; D437-H439 VanDerWaalsContact O-ND1 3.12Å; H439-F465 AromaticContact ND1-CD2 3.88Å; H439-W471 AromaticContact CD2-CE2 3.94Å; H439-W471 AromaticContact CD2-NE1 3.22Å; H439-W471 PolarHBondContact CD2-NE1 3.12Å; H439-W471 AromaticContact NE2-NE1 3.71Å
440	Q	98.7	Very high	98	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.1	162.7	-174.1	-164.6	46.6	0	0	108.9	M382 E397 L400 Y411 V432 R433 F438	M382-Q440 CarbonylContact O-C 3.51Å; M382-Q440 VanDerWaalsContact O-CA 3.26Å; M382-Q440 WeakPolarHBondContact O-CA 3.22Å; E397-Q440 PolarHBondContact OE2-NE2 2.9Å; E397-Q440 PolarHBondContact OE2-OE1 3.44Å; L400-Q440 HydrophobicContact CD1-CB 4.44Å; L400-Q440 HydrophobicContact CD1-CG 4.06Å; Y411-Q440 HydrophobicContact CE2-CB 4.3Å; Y411-Q440 PolarHBondContact OH-NE2 3.23Å; Y411-Q440 PolarHBondContact OH-OE1 3.2Å; V432-Q440 CarbonylContact C-O 3.58Å; V432-Q440 WeakPolarHBondContact CA-O 3.4Å; R433-Q440 HydrophobicContact CB-CB 4.41Å; R433-Q440 PolarHBondContact N-O 3.4Å; R433-Q440 PolarHBondContact O-N 3.48Å; F438-Q440 HydrophobicContact CE1-CB 4.15Å; F438-Q440 HydrophobicContact CZ-CB 4.46Å
441	V	98.8	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.5	178.9	-177	0	0	0	0	110.8	L381 M382 Y383 N384 W419 Y431 V432 I443 M461 W471	L381-V441 HydrophobicContact CD1-CB 4.16Å; L381-V441 HydrophobicContact CD1-CG2 3.47Å; L381-V441 VanDerWaalsContact CD1-CG2 3.47Å; M382-V441 PolarHBondContact O-N 3.07Å; Y383-V441 CarbonylContact C-O 3.54Å; Y383-V441 WeakPolarHBondContact CA-O 3.22Å; N384-V441 PolarHBondContact N-O 3.32Å; W419-V441 HydrophobicContact CE3-CG1 4.34Å; W419-V441 HydrophobicContact CZ3-CG1 4.2Å; Y431-V441 CarbonylContact O-C 3.59Å; Y431-V441 WeakPolarHBondContact O-CA 3.34Å; V432-V441 HydrophobicContact CG1-CG2 4.26Å; V432-V441 HydrophobicContact CG2-CG1 4.4Å; V432-V441 HydrophobicContact CG2-CG2 4.22Å; V441-I443 HydrophobicContact CG1-CG1 4.07Å; V441-M461 HydrophobicContact CB-CG 4.43Å; V441-M461 HydrophobicContact CB-SD 3.99Å; V441-M461 HydrophobicContact CG1-CG 4.07Å; V441-M461 HydrophobicContact CG1-SD 3.81Å; V441-M461 HydrophobicContact CG2-CG 4.36Å; V441-M461 HydrophobicContact CG2-SD 4.45Å; V441-W471 HydrophobicContact CG2-CH2 3.49Å; V441-W471 VanDerWaalsContact CG2-CH2 3.49Å; V441-W471 HydrophobicContact CG2-CZ2 3.78Å; V441-W471 HydrophobicContact CG2-CZ3 4.12Å
442	I	98.8	Very high	98	Very high	17 Å²	17	23.3 Å²	23.3	9%	0.087	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.4	172.3	-60.4	164.1	0	0	0	107.3	N384 Q386 A393 K416 G430 Y431	N384-I442 WeakPolarHBondContact O-CA 3.37Å; Q386-I442 HydrophobicContact CB-CG2 4.23Å; A393-I442 HydrophobicContact CB-CD1 4.29Å; A393-I442 HydrophobicContact CB-CG1 4.13Å; A393-I442 HydrophobicContact CB-CG2 4.29Å; K416-I442 HydrophobicContact CD-CD1 4.24Å; G430-I442 CarbonylContact C-O 3.58Å; G430-I442 WeakPolarHBondContact CA-O 3.35Å; Y431-I442 HydrophobicContact CD2-CB 4.41Å; Y431-I442 HydrophobicContact CD2-CG2 4.47Å; Y431-I442 PolarHBondContact N-O 3.25Å; Y431-I442 PolarHBondContact O-N 2.89Å
443	I	98.7	Very high	97.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.3	179.5	-56.1	-171.4	0	0	0	109.1	N384 Q386 W419 V441 G445 G446 L450 Q454 R457 M461	N384-I443 PolarHBondContact O-N 3.02Å; Q386-I443 WeakPolarHBondContact CB-O 3.42Å; Q386-I443 PolarHBondContact N-O 3.22Å; W419-I443 HydrophobicContact CZ3-CG1 4.25Å; V441-I443 HydrophobicContact CG1-CG1 4.07Å; I443-G445 PolarHBondContact O-N 3.29Å; I443-G446 PolarHBondContact O-N 3.42Å; I443-L450 HydrophobicContact CB-CD1 3.93Å; I443-L450 HydrophobicContact CB-CD2 3.84Å; I443-L450 HydrophobicContact CB-CG 4.25Å; I443-L450 HydrophobicContact CD1-CD1 3.86Å; I443-L450 HydrophobicContact CD1-CD2 3.38Å; I443-L450 HydrophobicContact CD1-CG 4.3Å; I443-L450 HydrophobicContact CG1-CD1 3.98Å; I443-L450 HydrophobicContact CG1-CD2 4.04Å; I443-L450 HydrophobicContact CG2-CD2 3.91Å; I443-Q454 HydrophobicContact CG2-CB 3.94Å; I443-Q454 HydrophobicContact CG2-CG 4.1Å; I443-R457 HydrophobicContact CG2-CB 3.76Å; I443-R457 HydrophobicContact CG2-CG 4.43Å; I443-M461 HydrophobicContact CD1-CB 4.25Å; I443-M461 HydrophobicContact CD1-CE 4.05Å; I443-M461 HydrophobicContact CD1-CG 4.41Å; I443-M461 HydrophobicContact CD1-SD 3.51Å; I443-M461 VanDerWaalsContact CD1-SD 3.51Å; I443-M461 HydrophobicContact CG1-SD 4.22Å
444	R	98.3	Very high	98	Very high	86 Å²	86	24.9 Å²	24.9	33%	0.325	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	136.6	-179.7	171.4	159.8	178.9	-84.8	3.6	110.1	E427 A429 G446 R457	E427-R444 IonicContact OE2-CZ 3.75Å; E427-R444 VanDerWaalsContact OE2-CZ 3.27Å; E427-R444 IonicContact OE2-NH1 3.03Å; E427-R444 PolarHBondContact OE2-NH1 2.86Å; E427-R444 IonicContact OE2-NH2 3.57Å; E427-R444 PolarHBondContact OE2-NH2 3.26Å; A429-R444 PolarHBondContact O-N 2.87Å; R444-G446 PolarHBondContact O-N 2.99Å; R444-R457 PolarHBondContact O-NH1 2.97Å
445	G	97.3	Very high	98	Very high	23 Å²	23	22.7 Å²	22.7	24%	0.237	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	7.3	175.6	0	0	0	0	0	115.9	I443 Q454	I443-G445 PolarHBondContact O-N 3.29Å; G445-Q454 PolarHBondContact O-NE2 2.94Å
446	G	97.8	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.144	C	C	.	.			trans	-93.7	141.6	168.7	0	0	0	0	0	111	G385 Q386 L387 I443 R444	G385-G446 CarbonylContact C-O 3.54Å; G385-G446 WeakPolarHBondContact CA-O 3.38Å; Q386-G446 PolarHBondContact N-O 3.3Å; L387-G446 WeakPolarHBondContact CB-O 3.47Å; L387-G446 PolarHBondContact N-O 2.05Å; I443-G446 PolarHBondContact O-N 3.42Å; R444-G446 PolarHBondContact O-N 2.99Å
447	G	98.1	Very high	98.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.			trans	-88.4	-156.4	162.4	0	0	0	0	0	111.7	Y315 G385 D453	Y315-G447 CarbonylContact O-C 3.49Å; Y315-G447 VanDerWaalsContact O-CA 3.27Å; Y315-G447 WeakPolarHBondContact O-CA 3.43Å; G385-G447 WeakPolarHBondContact CA-O 3.44Å; G447-D453 WeakPolarHBondContact CA-OD2 3.34Å; G447-D453 PolarHBondContact N-OD2 3.48Å
448	H	98.1	Very high	98.2	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.009	10%	0.101	C	C	.	.	S	Bend	trans	-60.7	-45.6	179.7	-161.6	73.5	0	0	0	112.3	S204 D237 Y315 D388 I390 L450	S204-H448 WeakPolarHBondContact CB-NE2 3.27Å; S204-H448 PolarHBondContact OG-CE1 2.78Å; S204-H448 PolarHBondContact OG-NE2 2.95Å; D237-H448 WeakPolarHBondContact CB-ND1 3.44Å; Y315-H448 HydrophobicContact CD1-CB 3.52Å; Y315-H448 AromaticContact CD1-CD2 3.31Å; Y315-H448 WeakPolarHBondContact CD1-CD2 3.37Å; Y315-H448 AromaticContact CD1-CG 3.48Å; Y315-H448 VanDerWaalsContact CD1-CG 3.48Å; Y315-H448 AromaticContact CE1-CD2 3.48Å; Y315-H448 VanDerWaalsContact CE1-CD2 3.48Å; Y315-H448 WeakPolarHBondContact CE1-CD2 3.37Å; Y315-H448 AromaticContact CE1-NE2 3.91Å; Y315-H448 HydrophobicContact CG-CB 4.05Å; Y315-H448 PolarHBondContact O-N 3.28Å; D388-H448 HydrophobicContact CB-CB 4.29Å; D388-H448 VanDerWaalsContact CG-ND1 3.27Å; D388-H448 WeakPolarHBondContact OD1-CB 3.33Å; D388-H448 IonicContact OD1-CG 2.66Å; D388-H448 IonicContact OD1-ND1 3.27Å; D388-H448 PolarHBondContact OD1-ND1 3.33Å; D388-H448 IonicContact OD2-CE1 3.22Å; D388-H448 IonicContact OD2-CG 3.56Å; D388-H448 IonicContact OD2-ND1 3.19Å; D388-H448 PolarHBondContact OD2-ND1 3.14Å; I390-H448 WeakPolarHBondContact CG2-ND1 3.5Å; H448-L450 PolarHBondContact O-N 2.68Å
449	I	97.4	Very high	98.2	Very high	5 Å²	5	22 Å²	22	3%	0.026	11%	0.108	C	C	.	.	S	Bend	trans	-82.5	69.5	176.6	-44.5	-52.8	0	0	0	108.2	F118 V122 E123 Y452 D453	F118-I449 HydrophobicContact CE1-CD1 3.93Å; F118-I449 HydrophobicContact CE1-CG1 4.3Å; F118-I449 HydrophobicContact CE1-CG2 3.7Å; F118-I449 HydrophobicContact CZ-CD1 4.23Å; F118-I449 HydrophobicContact CZ-CG1 4.31Å; F118-I449 HydrophobicContact CZ-CG2 4.16Å; V122-I449 HydrophobicContact CG1-CG2 4.43Å; E123-I449 HydrophobicContact CG-CG2 3.56Å; I449-Y452 HydrophobicContact CG2-CG 4.37Å; I449-Y452 WeakPolarHBondContact O-CB 3.11Å; I449-Y452 PolarHBondContact O-N 3.24Å; I449-D453 PolarHBondContact O-N 2.87Å; I449-D453 VanDerWaalsContact O-N 3.15Å
450	L	96.4	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66	-49	-160.3	-161.4	173.3	0	0	0	112.3	Y383 I443 H448 Y452 D453 Q454 A458	Y383-L450 HydrophobicContact CD2-CD1 3.57Å; Y383-L450 HydrophobicContact CE2-CB 4.47Å; Y383-L450 HydrophobicContact CE2-CD1 3.98Å; I443-L450 HydrophobicContact CB-CD1 3.93Å; I443-L450 HydrophobicContact CB-CD2 3.84Å; I443-L450 HydrophobicContact CB-CG 4.25Å; I443-L450 HydrophobicContact CD1-CD1 3.86Å; I443-L450 HydrophobicContact CD1-CD2 3.38Å; I443-L450 HydrophobicContact CD1-CG 4.3Å; I443-L450 HydrophobicContact CG1-CD1 3.98Å; I443-L450 HydrophobicContact CG1-CD2 4.04Å; I443-L450 HydrophobicContact CG2-CD2 3.91Å; H448-L450 PolarHBondContact O-N 2.68Å; L450-Y452 PolarHBondContact O-N 3.19Å; L450-D453 PolarHBondContact O-N 2.78Å; L450-Q454 HydrophobicContact CD2-CB 4.31Å; L450-Q454 PolarHBondContact O-N 3.37Å; L450-A458 HydrophobicContact CD2-CB 4.09Å
451	P	97.9	Very high	98.2	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-22.9	-179.6	-18.4	33.3	0	0	0	113.1	E123 H124 W142 P455 A458	E123-P451 HydrophobicContact CB-CB 4.07Å; E123-P451 HydrophobicContact CB-CG 4.32Å; H124-P451 HydrophobicContact CB-CB 3.84Å; H124-P451 HydrophobicContact CB-CG 4.47Å; W142-P451 HydrophobicContact CZ2-CG 4.4Å; P451-P455 WeakPolarHBondContact O-CA 3.19Å; P451-P455 WeakPolarHBondContact O-CB 3.41Å; P451-A458 HydrophobicContact CB-CB 3.81Å; P451-A458 HydrophobicContact CG-CB 4.05Å
452	Y	97.9	Very high	98.2	Very high	53 Å²	53	21.8 Å²	21.8	21%	0.208	11%	0.108	C	C	.	.	H	α-helix	trans	-69.1	-47.6	169.9	172	-93.5	0	0	0	111.8	V122 P323 D325 Q326 I449 L450	V122-Y452 HydrophobicContact CG1-CD2 3.73Å; V122-Y452 HydrophobicContact CG1-CE2 4.37Å; V122-Y452 HydrophobicContact CG1-CG 4.23Å; P323-Y452 WeakPolarHBondContact CB-OH 3.07Å; P323-Y452 HydrophobicContact CG-CE1 4.03Å; D325-Y452 PolarHBondContact OD1-OH 3.43Å; D325-Y452 PolarHBondContact OD2-OH 3.49Å; Q326-Y452 HydrophobicContact CG-CE2 4.4Å; I449-Y452 HydrophobicContact CG2-CG 4.37Å; I449-Y452 WeakPolarHBondContact O-CB 3.11Å; I449-Y452 PolarHBondContact O-N 3.24Å; L450-Y452 PolarHBondContact O-N 3.19Å
453	D	97.9	Very high	98.2	Very high	24 Å²	24	21 Å²	21	13%	0.128	10%	0.104	C	C	.	.	H	α-helix	trans	-75.9	-31.6	-176.9	-77.6	-27.3	0	0	0	113.3	N316 R319 G447 I449 L450	N316-D453 PolarHBondContact ND2-OD2 3.24Å; R319-D453 IonicContact CZ-OD1 2.93Å; R319-D453 IonicContact NH1-OD1 2.74Å; R319-D453 PolarHBondContact NH1-OD1 2.98Å; R319-D453 IonicContact NH2-OD1 3.98Å; R319-D453 PolarHBondContact NH2-OD1 3.12Å; R319-D453 VanDerWaalsContact NH2-OD1 3.12Å; G447-D453 WeakPolarHBondContact CA-OD2 3.34Å; G447-D453 PolarHBondContact N-OD2 3.48Å; I449-D453 PolarHBondContact O-N 2.87Å; I449-D453 VanDerWaalsContact O-N 3.15Å; L450-D453 PolarHBondContact O-N 2.78Å
454	Q	98.3	Very high	98.2	Very high	44 Å²	44	21.2 Å²	21.2	21%	0.206	11%	0.105	C	C	.	.	S	Bend	trans	-138.2	64.2	-175.7	-63.5	-65.9	-34.7	0	0	112.6	I443 G445 L450 L456 R457 A458	I443-Q454 HydrophobicContact CG2-CB 3.94Å; I443-Q454 HydrophobicContact CG2-CG 4.1Å; G445-Q454 PolarHBondContact O-NE2 2.94Å; L450-Q454 HydrophobicContact CD2-CB 4.31Å; L450-Q454 PolarHBondContact O-N 3.37Å; Q454-L456 PolarHBondContact O-N 2.76Å; Q454-R457 HydrophobicContact CB-CB 4.18Å; Q454-R457 HydrophobicContact CB-CG 4.49Å; Q454-R457 PolarHBondContact O-N 3.33Å; Q454-R457 VanDerWaalsContact O-N 3.17Å; Q454-A458 PolarHBondContact O-N 3.03Å
455	P	98.3	Very high	98.2	Very high	48 Å²	48	17.2 Å²	17.2	31%	0.312	9%	0.09	S	C	.	.	H	α-helix	trans	-60.5	-46.4	-167.5	21.5	-33.9	0	0	0	114.2	F140 P451 R457 A458 F459	F140-P455 HydrophobicContact CB-CB 4.41Å; F140-P455 HydrophobicContact CD2-CB 4.15Å; F140-P455 HydrophobicContact CD2-CG 4.38Å; P451-P455 WeakPolarHBondContact O-CA 3.19Å; P451-P455 WeakPolarHBondContact O-CB 3.41Å; P455-R457 VanDerWaalsContact C-N 3.35Å; P455-R457 PolarHBondContact O-N 3.42Å; P455-A458 PolarHBondContact O-N 3.27Å; P455-F459 WeakPolarHBondContact O-CB 3.48Å; P455-F459 PolarHBondContact O-N 2.8Å
456	L	98.4	Very high	98.2	Very high	66 Å²	66	16.5 Å²	16.5	35%	0.346	8%	0.08	S	C	.	.	H	α-helix	trans	-62	-41.2	178.2	172.1	59.2	0	0	0	112.1	F140 I421 Q454 F459 D460	F140-L456 HydrophobicContact CD1-CB 4.38Å; F140-L456 HydrophobicContact CD1-CD1 3.81Å; F140-L456 HydrophobicContact CD2-CB 3.87Å; F140-L456 HydrophobicContact CE1-CB 4.28Å; F140-L456 HydrophobicContact CE1-CD1 3.53Å; F140-L456 HydrophobicContact CE1-CG 4.35Å; F140-L456 HydrophobicContact CE2-CB 3.75Å; F140-L456 HydrophobicContact CG-CB 4.19Å; F140-L456 HydrophobicContact CG-CD1 4.43Å; F140-L456 HydrophobicContact CZ-CB 3.96Å; F140-L456 HydrophobicContact CZ-CD1 3.93Å; F140-L456 HydrophobicContact CZ-CD2 4.33Å; F140-L456 HydrophobicContact CZ-CG 4.27Å; I421-L456 HydrophobicContact CD1-CD1 4.28Å; I421-L456 HydrophobicContact CD1-CD2 4.14Å; I421-L456 HydrophobicContact CD1-CG 3.71Å; Q454-L456 PolarHBondContact O-N 2.76Å; L456-F459 PolarHBondContact O-N 2.78Å; L456-D460 PolarHBondContact O-N 2.75Å
457	R	98.6	Very high	98.3	Very high	41 Å²	41	20.8 Å²	20.8	16%	0.155	10%	0.097	C	C	.	.	H	α-helix	trans	-69.5	-44.2	-179.4	-60.5	178.2	-179.8	172.8	2.8	110.5	W419 I421 A429 I443 R444 Q454 P455 F459 D460 M461	W419-R457 HydrophobicContact CH2-CB 4.11Å; W419-R457 WeakPolarHBondContact CH2-O 3.34Å; I421-R457 HydrophobicContact CD1-CG 4.12Å; A429-R457 HydrophobicContact CB-CG 4.14Å; I443-R457 HydrophobicContact CG2-CB 3.76Å; I443-R457 HydrophobicContact CG2-CG 4.43Å; R444-R457 PolarHBondContact O-NH1 2.97Å; Q454-R457 HydrophobicContact CB-CB 4.18Å; Q454-R457 HydrophobicContact CB-CG 4.49Å; Q454-R457 PolarHBondContact O-N 3.33Å; Q454-R457 VanDerWaalsContact O-N 3.17Å; P455-R457 VanDerWaalsContact C-N 3.35Å; P455-R457 PolarHBondContact O-N 3.42Å; R457-F459 VanDerWaalsContact C-N 3.32Å; R457-F459 PolarHBondContact O-N 2.98Å; R457-D460 PolarHBondContact O-N 2.9Å; R457-M461 VanDerWaalsContact O-CB 3.26Å; R457-M461 WeakPolarHBondContact O-CB 3.33Å; R457-M461 PolarHBondContact O-N 2.86Å
458	A	98.6	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.9	-43.5	175.5	0	0	0	0	0	111.7	L450 P451 Q454 P455 M461 I462	L450-A458 HydrophobicContact CD2-CB 4.09Å; P451-A458 HydrophobicContact CB-CB 3.81Å; P451-A458 HydrophobicContact CG-CB 4.05Å; Q454-A458 PolarHBondContact O-N 3.03Å; P455-A458 PolarHBondContact O-N 3.27Å; A458-M461 PolarHBondContact O-N 3.18Å; A458-I462 PolarHBondContact O-N 2.91Å
459	F	98.8	Very high	98.1	Very high	37 Å²	37	29.5 Å²	29.5	16%	0.162	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-45.7	177.3	180	-96.6	0	0	0	113.2	F140 P141 T144 T145 P455 L456 R457 I462 N463	F140-F459 HydrophobicContact CB-CB 3.9Å; F140-F459 HydrophobicContact CB-CG 4.16Å; P141-F459 VanDerWaalsContact O-CE2 3.27Å; P141-F459 WeakPolarHBondContact O-CE2 3.48Å; T144-F459 HydrophobicContact CG2-CZ 4.33Å; T145-F459 HydrophobicContact CG2-CZ 4.35Å; P455-F459 WeakPolarHBondContact O-CB 3.48Å; P455-F459 PolarHBondContact O-N 2.8Å; L456-F459 PolarHBondContact O-N 2.78Å; R457-F459 VanDerWaalsContact C-N 3.32Å; R457-F459 PolarHBondContact O-N 2.98Å; F459-I462 WeakPolarHBondContact O-CG2 3.34Å; F459-N463 WeakPolarHBondContact CE2-ND2 3.27Å; F459-N463 WeakPolarHBondContact CZ-ND2 3.49Å; F459-N463 WeakPolarHBondContact O-CB 3.32Å; F459-N463 PolarHBondContact O-N 3.29Å; F459-N463 PolarHBondContact O-ND2 2.88Å
460	D	98.8	Very high	98	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.053	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-43	176.6	-176.1	50.5	0	0	0	111.3	W419 I421 L456 R457 I462 N463 R464 Y474	W419-D460 HydrophobicContact CZ2-CB 4.16Å; W419-D460 VanDerWaalsContact CZ2-OD2 3.24Å; W419-D460 WeakPolarHBondContact CZ2-OD2 3.32Å; W419-D460 PolarHBondContact NE1-OD2 2.99Å; I421-D460 HydrophobicContact CD1-CB 4.08Å; I421-D460 HydrophobicContact CG1-CB 4.3Å; I421-D460 HydrophobicContact CG2-CB 4.46Å; L456-D460 PolarHBondContact O-N 2.75Å; R457-D460 PolarHBondContact O-N 2.9Å; D460-I462 PolarHBondContact O-N 3.2Å; D460-N463 PolarHBondContact O-N 3.23Å; D460-R464 VanDerWaalsContact CG-NE 3.29Å; D460-R464 WeakPolarHBondContact O-CB 3.49Å; D460-R464 VanDerWaalsContact O-CG 3.29Å; D460-R464 WeakPolarHBondContact O-CG 3.46Å; D460-R464 PolarHBondContact O-N 3.44Å; D460-R464 IonicContact OD1-CZ 3.91Å; D460-R464 IonicContact OD1-NE 3.25Å; D460-R464 PolarHBondContact OD1-NE 3.2Å; D460-R464 IonicContact OD1-NH2 3.83Å; D460-R464 IonicContact OD2-CZ 3.43Å; D460-R464 IonicContact OD2-NE 2.71Å; D460-R464 PolarHBondContact OD2-NE 3.13Å; D460-R464 IonicContact OD2-NH2 3.25Å; D460-R464 PolarHBondContact OD2-NH2 3.41Å; D460-Y474 WeakPolarHBondContact OD1-CE2 3.46Å; D460-Y474 PolarHBondContact OD1-OH 3.37Å
461	M	98.8	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-55.8	-53.7	177	179.6	-162.9	64.2	0	0	111.8	L381 Y383 W419 V441 I443 R457 A458 N463 R464 F465 W471	L381-M461 HydrophobicContact CD2-CE 4.06Å; L381-M461 HydrophobicContact CD2-CG 4.15Å; L381-M461 HydrophobicContact CD2-SD 4.08Å; Y383-M461 WeakPolarHBondContact CB-SD 3.41Å; Y383-M461 HydrophobicContact CD1-CE 3.63Å; Y383-M461 HydrophobicContact CD1-SD 4.16Å; Y383-M461 HydrophobicContact CD2-CE 3.79Å; Y383-M461 HydrophobicContact CD2-SD 4.22Å; Y383-M461 HydrophobicContact CE1-CE 3.92Å; Y383-M461 HydrophobicContact CE2-CE 4.06Å; Y383-M461 HydrophobicContact CG-CE 3.54Å; Y383-M461 HydrophobicContact CG-SD 3.7Å; W419-M461 HydrophobicContact CH2-CB 3.93Å; V441-M461 HydrophobicContact CB-CG 4.43Å; V441-M461 HydrophobicContact CB-SD 3.99Å; V441-M461 HydrophobicContact CG1-CG 4.07Å; V441-M461 HydrophobicContact CG1-SD 3.81Å; V441-M461 HydrophobicContact CG2-CG 4.36Å; V441-M461 HydrophobicContact CG2-SD 4.45Å; I443-M461 HydrophobicContact CD1-CB 4.25Å; I443-M461 HydrophobicContact CD1-CE 4.05Å; I443-M461 HydrophobicContact CD1-CG 4.41Å; I443-M461 HydrophobicContact CD1-SD 3.51Å; I443-M461 VanDerWaalsContact CD1-SD 3.51Å; I443-M461 HydrophobicContact CG1-SD 4.22Å; R457-M461 VanDerWaalsContact O-CB 3.26Å; R457-M461 WeakPolarHBondContact O-CB 3.33Å; R457-M461 PolarHBondContact O-N 2.86Å; A458-M461 PolarHBondContact O-N 3.18Å; M461-N463 VanDerWaalsContact C-N 3.31Å; M461-N463 PolarHBondContact O-N 2.87Å; M461-R464 PolarHBondContact O-N 3.07Å; M461-F465 PolarHBondContact O-N 3.04Å; M461-W471 HydrophobicContact CB-CH2 4.41Å; M461-W471 HydrophobicContact CG-CH2 3.74Å; M461-W471 HydrophobicContact CG-CZ3 4.22Å
462	I	98.8	Very high	97.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-39.5	-176.7	-166	64.2	0	0	0	110.8	W142 L146 A234 L381 A458 F459 D460 R464 F465 I466	W142-I462 HydrophobicContact CD2-CB 4.41Å; W142-I462 HydrophobicContact CD2-CG1 4.31Å; W142-I462 HydrophobicContact CD2-CG2 3.83Å; W142-I462 HydrophobicContact CE3-CG1 4.04Å; W142-I462 HydrophobicContact CE3-CG2 4.39Å; W142-I462 HydrophobicContact CG-CG2 4.15Å; W142-I462 HydrophobicContact CH2-CB 4.09Å; W142-I462 HydrophobicContact CH2-CD1 3.96Å; W142-I462 HydrophobicContact CH2-CG1 3.84Å; W142-I462 HydrophobicContact CZ2-CB 3.84Å; W142-I462 HydrophobicContact CZ2-CG1 4.09Å; W142-I462 HydrophobicContact CZ2-CG2 3.94Å; W142-I462 HydrophobicContact CZ3-CB 4.46Å; W142-I462 HydrophobicContact CZ3-CD1 4.05Å; W142-I462 HydrophobicContact CZ3-CG1 3.81Å; L146-I462 HydrophobicContact CD1-CG1 4.03Å; L146-I462 HydrophobicContact CD1-CG2 4.25Å; A234-I462 HydrophobicContact CB-CD1 4.1Å; L381-I462 HydrophobicContact CD2-CD1 4.48Å; A458-I462 PolarHBondContact O-N 2.91Å; F459-I462 WeakPolarHBondContact O-CG2 3.34Å; D460-I462 PolarHBondContact O-N 3.2Å; I462-R464 PolarHBondContact O-N 3.37Å; I462-F465 HydrophobicContact CD1-CD1 4.28Å; I462-F465 PolarHBondContact O-N 3.43Å; I462-I466 HydrophobicContact CD1-CG1 4.17Å; I462-I466 HydrophobicContact CG1-CG1 4.06Å; I462-I466 WeakPolarHBondContact O-CB 3.39Å; I462-I466 VanDerWaalsContact O-CG1 3.24Å; I462-I466 WeakPolarHBondContact O-CG1 3.47Å; I462-I466 PolarHBondContact O-N 3.3Å
463	N	98.7	Very high	97.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.011	21%	0.207	C	C	.	.	H	α-helix	trans	-66.7	-38.9	178.3	-85.4	-88.3	0	0	0	112.3	T145 F459 D460 M461 F465 Y467	T145-N463 WeakPolarHBondContact CB-OD1 3.3Å; T145-N463 PolarHBondContact OG1-ND2 3.23Å; T145-N463 PolarHBondContact OG1-OD1 3.22Å; F459-N463 WeakPolarHBondContact CE2-ND2 3.27Å; F459-N463 WeakPolarHBondContact CZ-ND2 3.49Å; F459-N463 WeakPolarHBondContact O-CB 3.32Å; F459-N463 PolarHBondContact O-N 3.29Å; F459-N463 PolarHBondContact O-ND2 2.88Å; D460-N463 PolarHBondContact O-N 3.23Å; M461-N463 VanDerWaalsContact C-N 3.31Å; M461-N463 PolarHBondContact O-N 2.87Å; N463-F465 VanDerWaalsContact C-N 3.33Å; N463-Y467 HydrophobicContact CB-CD2 4.38Å; N463-Y467 WeakPolarHBondContact O-CB 3.4Å; N463-Y467 WeakPolarHBondContact O-CD2 3.34Å; N463-Y467 WeakPolarHBondContact OD1-CE2 3.31Å; N463-Y467 PolarHBondContact O-N 2.98Å
464	R	98.5	Very high	97.6	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-44.1	173.6	-74.9	173.8	-176.4	-89.7	1.8	111.6	D460 M461 I462 G468 R469 G470 W471 D472	D460-R464 VanDerWaalsContact CG-NE 3.29Å; D460-R464 WeakPolarHBondContact O-CB 3.49Å; D460-R464 VanDerWaalsContact O-CG 3.29Å; D460-R464 WeakPolarHBondContact O-CG 3.46Å; D460-R464 PolarHBondContact O-N 3.44Å; D460-R464 IonicContact OD1-CZ 3.91Å; D460-R464 IonicContact OD1-NE 3.25Å; D460-R464 PolarHBondContact OD1-NE 3.2Å; D460-R464 IonicContact OD1-NH2 3.83Å; D460-R464 IonicContact OD2-CZ 3.43Å; D460-R464 IonicContact OD2-NE 2.71Å; D460-R464 PolarHBondContact OD2-NE 3.13Å; D460-R464 IonicContact OD2-NH2 3.25Å; D460-R464 PolarHBondContact OD2-NH2 3.41Å; M461-R464 PolarHBondContact O-N 3.07Å; I462-R464 PolarHBondContact O-N 3.37Å; R464-G468 CarbonylContact O-C 3.58Å; R464-G468 VanDerWaalsContact O-CA 3.27Å; R464-G468 WeakPolarHBondContact O-CA 3.27Å; R464-G468 PolarHBondContact O-N 3.36Å; R464-R469 HydrophobicContact CG-CB 4.28Å; R464-R469 PolarHBondContact O-N 2.91Å; R464-G470 PolarHBondContact NH1-O 3Å; R464-G470 WeakPolarHBondContact CG-O 3.5Å; R464-G470 WeakPolarHBondContact CD-O 3.16Å; R464-G470 VanDerWaalsContact CD-O 3.32Å; R464-W471 HydrophobicContact CB-CH2 4.32Å; R464-W471 HydrophobicContact CB-CZ2 4.49Å; R464-W471 HydrophobicContact CB-CZ3 4.42Å; R464-D472 PolarHBondContact NH1-O 3.02Å; R464-D472 PolarHBondContact NH2-O 3.33Å
465	F	98.8	Very high	97.1	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-54.8	178.8	171.1	-110.7	0	0	0	111.9	Y199 I233 A234 K379 L381 H439 M461 I462 N463 G468	Y199-F465 AromaticContact CD1-CE1 3.94Å; Y199-F465 HydrophobicContact CD1-CE1 3.94Å; Y199-F465 HydrophobicContact CD1-CZ 4.49Å; Y199-F465 AromaticContact CE1-CE1 3.95Å; Y199-F465 HydrophobicContact CE1-CE1 3.95Å; Y199-F465 HydrophobicContact CE1-CZ 4.28Å; I233-F465 VanDerWaalsContact O-CZ 3.23Å; I233-F465 WeakPolarHBondContact O-CZ 3.32Å; A234-F465 HydrophobicContact CB-CD1 4.38Å; A234-F465 HydrophobicContact CB-CE1 4.12Å; K379-F465 HydrophobicContact CB-CE2 3.79Å; K379-F465 HydrophobicContact CB-CZ 3.83Å; K379-F465 VanDerWaalsContact CE-O 3.29Å; K379-F465 WeakPolarHBondContact CE-O 3.26Å; K379-F465 PolarHBondContact NZ-O 3.12Å; L381-F465 HydrophobicContact CB-CD1 3.99Å; L381-F465 HydrophobicContact CB-CD2 3.62Å; L381-F465 HydrophobicContact CB-CE1 4.02Å; L381-F465 HydrophobicContact CB-CE2 3.64Å; L381-F465 HydrophobicContact CB-CG 3.78Å; L381-F465 HydrophobicContact CB-CZ 3.85Å; L381-F465 HydrophobicContact CD2-CB 3.87Å; L381-F465 HydrophobicContact CD2-CD1 4.11Å; L381-F465 HydrophobicContact CD2-CD2 4.48Å; L381-F465 HydrophobicContact CD2-CG 3.9Å; L381-F465 HydrophobicContact CG-CD2 4.49Å; L381-F465 HydrophobicContact CG-CG 4.37Å; H439-F465 AromaticContact ND1-CD2 3.88Å; M461-F465 PolarHBondContact O-N 3.04Å; I462-F465 HydrophobicContact CD1-CD1 4.28Å; I462-F465 PolarHBondContact O-N 3.43Å; N463-F465 VanDerWaalsContact C-N 3.33Å; F465-G468 PolarHBondContact O-N 3.46Å
466	I	98.6	Very high	95.5	Very high	7 Å²	7	48 Å²	48	4%	0.036	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-52.7	-176.2	-64.4	-68.4	0	0	0	110.3	P103 V105 L146 Y199 K379 I462 G468	P103-I466 HydrophobicContact CB-CG2 4.03Å; P103-I466 HydrophobicContact CG-CG2 3.66Å; V105-I466 HydrophobicContact CG2-CD1 4.47Å; L146-I466 HydrophobicContact CD2-CB 4.35Å; L146-I466 HydrophobicContact CD2-CG1 4.25Å; L146-I466 HydrophobicContact CD2-CG2 3.87Å; Y199-I466 HydrophobicContact CD1-CD1 3.49Å; Y199-I466 VanDerWaalsContact CD1-CD1 3.49Å; Y199-I466 HydrophobicContact CD2-CD1 3.42Å; Y199-I466 VanDerWaalsContact CD2-CD1 3.42Å; Y199-I466 HydrophobicContact CD2-CG2 4.45Å; Y199-I466 HydrophobicContact CE1-CD1 3.75Å; Y199-I466 HydrophobicContact CE2-CD1 3.65Å; Y199-I466 HydrophobicContact CE2-CG2 3.96Å; Y199-I466 HydrophobicContact CG-CD1 3.33Å; K379-I466 PolarHBondContact NZ-O 2.95Å; I462-I466 HydrophobicContact CD1-CG1 4.17Å; I462-I466 HydrophobicContact CG1-CG1 4.06Å; I462-I466 WeakPolarHBondContact O-CB 3.39Å; I462-I466 VanDerWaalsContact O-CG1 3.24Å; I462-I466 WeakPolarHBondContact O-CG1 3.47Å; I462-I466 PolarHBondContact O-N 3.3Å; I466-G468 PolarHBondContact O-N 3.19Å
467	Y	98.2	Very high	95.3	Very high	90 Å²	90	47.1 Å²	47.1	35%	0.353	28%	0.281	S	S	.	.	H	α-helix	trans	-87.7	1.4	-175	-64.5	-71.2	0	0	0	114.9	P103 T145 L146 N463 R469	P103-Y467 VanDerWaalsContact CD-OH 3.31Å; P103-Y467 WeakPolarHBondContact CD-OH 3.42Å; P103-Y467 HydrophobicContact CG-CE1 4.2Å; T145-Y467 PolarHBondContact O-OH 2.86Å; L146-Y467 HydrophobicContact CD2-CE2 4.13Å; N463-Y467 HydrophobicContact CB-CD2 4.38Å; N463-Y467 WeakPolarHBondContact O-CB 3.4Å; N463-Y467 WeakPolarHBondContact O-CD2 3.34Å; N463-Y467 WeakPolarHBondContact OD1-CE2 3.31Å; N463-Y467 PolarHBondContact O-N 2.98Å; Y467-R469 PolarHBondContact O-N 3.5Å
468	G	96.8	Very high	95.2	Very high	57 Å²	57	47.4 Å²	47.4	59%	0.588	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	34.3	177.2	0	0	0	0	0	114.4	R464 F465 I466 G470	R464-G468 CarbonylContact O-C 3.58Å; R464-G468 VanDerWaalsContact O-CA 3.27Å; R464-G468 WeakPolarHBondContact O-CA 3.27Å; R464-G468 PolarHBondContact O-N 3.36Å; F465-G468 PolarHBondContact O-N 3.46Å; I466-G468 PolarHBondContact O-N 3.19Å; G468-G470 PolarHBondContact O-N 3.18Å
469	R	95.3	Very high	95	Very high	128 Å²	128	50 Å²	50	48%	0.483	30%	0.303	S	S	.	.			trans	-77.3	2.3	-172.8	-56.8	-178.2	-177.7	178.6	2.9	114.7	R464 Y467	R464-R469 HydrophobicContact CG-CB 4.28Å; R464-R469 PolarHBondContact O-N 2.91Å; Y467-R469 PolarHBondContact O-N 3.5Å
470	G	95.3	Very high	94.8	Very high	33 Å²	33	50.8 Å²	50.8	34%	0.34	31%	0.312	S	S	.	.			trans	66.6	-175.9	-174	0	0	0	0	0	113.3	R464 G468	R464-G470 PolarHBondContact NH1-O 3Å; R464-G470 WeakPolarHBondContact CG-O 3.5Å; R464-G470 WeakPolarHBondContact CD-O 3.16Å; R464-G470 VanDerWaalsContact CD-O 3.32Å; G468-G470 PolarHBondContact O-N 3.18Å
471	W	96.9	Very high	94.5	Very high	25 Å²	25	53.3 Å²	53.3	10%	0.095	33%	0.328	C	S	.	.	S	Bend	trans	-117.1	5.3	-172.6	-62.7	95.8	0	0	0	114.3	W419 V432 H439 V441 M461 R464	W419-W471 HydrophobicContact CD2-CE3 4.1Å; W419-W471 HydrophobicContact CD2-CZ3 4.13Å; W419-W471 HydrophobicContact CE3-CZ3 4.41Å; W419-W471 HydrophobicContact CG-CE3 4.04Å; W419-W471 HydrophobicContact CZ2-CZ3 4.34Å; V432-W471 HydrophobicContact CB-CD2 4.27Å; V432-W471 HydrophobicContact CB-CE3 4.48Å; V432-W471 HydrophobicContact CB-CG 4.36Å; V432-W471 HydrophobicContact CG1-CD2 3.74Å; V432-W471 HydrophobicContact CG1-CE3 4.34Å; V432-W471 HydrophobicContact CG1-CG 3.82Å; V432-W471 HydrophobicContact CG1-CZ2 4.34Å; V432-W471 HydrophobicContact CG2-CD2 3.72Å; V432-W471 HydrophobicContact CG2-CE3 3.47Å; V432-W471 VanDerWaalsContact CG2-CE3 3.47Å; V432-W471 HydrophobicContact CG2-CG 4.2Å; V432-W471 HydrophobicContact CG2-CZ3 3.93Å; H439-W471 AromaticContact CD2-CE2 3.94Å; H439-W471 AromaticContact CD2-NE1 3.22Å; H439-W471 PolarHBondContact CD2-NE1 3.12Å; H439-W471 AromaticContact NE2-NE1 3.71Å; V441-W471 HydrophobicContact CG2-CH2 3.49Å; V441-W471 VanDerWaalsContact CG2-CH2 3.49Å; V441-W471 HydrophobicContact CG2-CZ2 3.78Å; V441-W471 HydrophobicContact CG2-CZ3 4.12Å; M461-W471 HydrophobicContact CB-CH2 4.41Å; M461-W471 HydrophobicContact CG-CH2 3.74Å; M461-W471 HydrophobicContact CG-CZ3 4.22Å; R464-W471 HydrophobicContact CB-CH2 4.32Å; R464-W471 HydrophobicContact CB-CZ2 4.49Å; R464-W471 HydrophobicContact CB-CZ3 4.42Å
472	D	96.1	Very high	94.2	Very high	137 Å²	137	56.9 Å²	56.9	73%	0.733	35%	0.35	S	S	*	.	S	Bend	trans	-68.1	139.7	172	-68.6	-30.9	0	0	0	109.7	R464	R464-D472 PolarHBondContact NH1-O 3.02Å; R464-D472 PolarHBondContact NH2-O 3.33Å
473	P	95.8	Very high	93.9	Very high	50 Å²	50	60.9 Å²	60.9	33%	0.325	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-67.1	145.1	-179.2	27.9	-34.4	0	0	0	110.7	K420 I421 K423	K420-P473 HydrophobicContact CB-CB 4.22Å; K420-P473 WeakPolarHBondContact O-CB 3.32Å; I421-P473 WeakPolarHBondContact O-CA 3.28Å; K423-P473 HydrophobicContact CB-CB 4.37Å; K423-P473 HydrophobicContact CB-CG 4.34Å
474	Y	94.6	Very high	93.5	Very high	73 Å²	73	65.5 Å²	65.5	29%	0.286	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-64.8	141.9	174.5	-54.8	-66.2	0	0	0	110.3	I421 F422 K423 D460 G476	I421-Y474 HydrophobicContact CG2-CD2 4.06Å; I421-Y474 HydrophobicContact CG2-CE2 4.16Å; I421-Y474 WeakPolarHBondContact O-CD2 3.49Å; I421-Y474 PolarHBondContact O-N 3.06Å; F422-Y474 HydrophobicContact CD1-CD2 4.41Å; F422-Y474 HydrophobicContact CE1-CD2 4.2Å; K423-Y474 PolarHBondContact N-O 3.38Å; D460-Y474 WeakPolarHBondContact OD1-CE2 3.46Å; D460-Y474 PolarHBondContact OD1-OH 3.37Å; Y474-G476 PolarHBondContact O-N 3.2Å
475	V	87.5	Confident	93.1	Very high	130 Å²	130	70.6 Å²	70.6	79%	0.788	44%	0.435	S	S	*	.			trans	-83	106.8	167.2	-173.8	0	0	0	0	105.7
476	G	63.9	Low	92.6	Very high	115 Å²	115	76.8 Å²	76.8	100%	1.186	47%	0.474	S	S	*	.			trans	-68.3	0	-178.5	0	0	0	0	0	113.9	Y474	Y474-G476 PolarHBondContact O-N 3.2Å

Retrieved 476 of 476 residues in 135.4 ms (Link to these results)

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