A0A3Q0KNY2_SCHMA Loading...

Sulfatase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 791 aa.

Structure Viewer

Loading PAE data...

(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	31.1	Very low	36.8	Very low	243 Å²	243	191.8 Å²	191.8	100%	1.197	88%	0.883	S	S	*	*				0	33.6	0	-101.7	175.9	169	0	0	112.7	Q3	M1-Q3 PolarHBondContact O-N 3.48Å
2	Y	30	Very low	37.4	Very low	240 Å²	240	189.6 Å²	189.6	94%	0.941	87%	0.87	S	S	*	*			trans	-96.2	21.8	-168.9	-109.5	-84	0	0	0	115.2
3	Q	33.2	Very low	38.3	Very low	182 Å²	182	188.6 Å²	188.6	85%	0.85	87%	0.867	S	S	*	*			trans	-151.2	99.1	174.8	-80.3	-177.4	-17.1	0	0	109.6	M1	M1-Q3 PolarHBondContact O-N 3.48Å
4	K	35	Very low	39.1	Very low	206 Å²	206	190.2 Å²	190.2	90%	0.896	86%	0.864	S	S	*	*			trans	169.5	89.4	155.1	-98.7	168.5	-176.1	-174.9	0	109.3
5	R	41.9	Very low	39.9	Very low	248 Å²	248	184.3 Å²	184.3	94%	0.936	84%	0.836	S	S	*	*			trans	-165.5	15.9	153.5	-109.5	170.4	-167.3	-157.8	3.8	116.3	G7	R5-G7 PolarHBondContact O-N 3.5Å; R5-G7 VanDerWaalsContact O-N 3.16Å
6	F	40.1	Very low	41.7	Very low	221 Å²	221	177.8 Å²	177.8	97%	0.969	81%	0.814	S	S	*	*			trans	-86.1	50.5	163.2	-85.6	-77.3	0	0	0	111.8
7	G	33.5	Very low	43.5	Very low	63 Å²	63	178.5 Å²	178.5	65%	0.649	82%	0.815	S	S	*	*			trans	-106.8	8.1	-173.9	0	0	0	0	0	115.8	R5	R5-G7 PolarHBondContact O-N 3.5Å; R5-G7 VanDerWaalsContact O-N 3.16Å
8	L	39.4	Very low	45.4	Very low	153 Å²	153	174.2 Å²	174.2	80%	0.801	80%	0.804	S	S	*	*	S	Bend	trans	-97.9	3.2	-172.6	-115.6	123	0	0	0	115.6
9	F	41.6	Very low	47	Very low	191 Å²	191	171.4 Å²	171.4	84%	0.838	79%	0.789	S	S	*	*	S	Bend	trans	-105.5	7.6	-179.8	-81.2	-76.3	0	0	0	115.2
10	K	38.6	Very low	48.7	Very low	185 Å²	185	167 Å²	167	80%	0.804	77%	0.771	S	S	*	*	S	Bend	trans	-106	-3.2	179.2	-85.7	-168.9	174.7	-174.8	0	116.4
11	E	40.1	Very low	50.2	Low	178 Å²	178	164.8 Å²	164.8	83%	0.832	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-93.2	0.5	-179.5	-76	-164.9	157.6	0	0	115.7	Q13	E11-Q13 VanDerWaalsContact C-N 3.27Å; E11-Q13 PolarHBondContact O-N 3.45Å
12	F	44.2	Very low	52.8	Low	165 Å²	165	158 Å²	158	72%	0.724	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-81.2	1	175.5	-85.5	-78	0	0	0	114.9	Y14 F15	F12-Y14 PolarHBondContact O-N 3.41Å; F12-F15 HydrophobicContact CD1-CD2 4.43Å; F12-F15 HydrophobicContact CD1-CE2 4.46Å
13	Q	49.1	Very low	55.3	Low	177 Å²	177	152.8 Å²	152.8	83%	0.827	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-85.8	8.3	-175.6	-95.7	-175.2	-19.4	0	0	116.2	E11	E11-Q13 VanDerWaalsContact C-N 3.27Å; E11-Q13 PolarHBondContact O-N 3.45Å
14	Y	49.6	Very low	57.9	Low	211 Å²	211	149.1 Å²	149.1	83%	0.827	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-129.2	34.9	178.3	-109	-82.9	0	0	0	115.1	F12 T16	F12-Y14 PolarHBondContact O-N 3.41Å; Y14-T16 PolarHBondContact O-N 3.35Å
15	F	51.7	Low	60.5	Low	102 Å²	102	144 Å²	144	45%	0.447	68%	0.683	S	S	.	*			trans	-89.2	98.8	163.3	-84	-91.8	0	0	0	109.4	F12 K17 K19 I20	F12-F15 HydrophobicContact CD1-CD2 4.43Å; F12-F15 HydrophobicContact CD1-CE2 4.46Å; F15-K17 PolarHBondContact O-N 3.16Å; F15-K19 HydrophobicContact CD1-CB 3.54Å; F15-K19 HydrophobicContact CD1-CD 4.02Å; F15-K19 HydrophobicContact CD1-CG 4.45Å; F15-K19 HydrophobicContact CE1-CB 4.14Å; F15-K19 HydrophobicContact CE1-CD 4.12Å; F15-I20 HydrophobicContact CB-CD1 4.16Å; F15-I20 HydrophobicContact CB-CG1 3.72Å
16	T	67.9	Low	62.6	Low	80 Å²	80	139.2 Å²	139.2	49%	0.491	67%	0.669	S	S	.	*			trans	-50.7	140.3	167.3	47	0	0	0	0	109.2	Y14 T18 K19 I20	Y14-T16 PolarHBondContact O-N 3.35Å; T16-T18 PolarHBondContact O-N 2.99Å; T16-K19 PolarHBondContact O-N 2.79Å; T16-I20 PolarHBondContact O-N 2.87Å
17	K	73.1	Confident	64.8	Low	190 Å²	190	132.4 Å²	132.4	83%	0.826	64%	0.642	S	S	*	*	H	α-helix	trans	-44.9	-34.1	-174.6	-77.6	-176.5	176.6	179.5	0	113.2	F15 I20 L21	F15-K17 PolarHBondContact O-N 3.16Å; K17-I20 PolarHBondContact O-N 3.01Å; K17-L21 PolarHBondContact O-N 3.4Å
18	T	77.5	Confident	67.4	Low	100 Å²	100	131 Å²	131	61%	0.613	63%	0.628	S	S	*	*	H	α-helix	trans	-61.1	-41.6	176.4	-21.6	0	0	0	0	113.7	T16 L21 L22	T16-T18 PolarHBondContact O-N 2.99Å; T18-L21 PolarHBondContact O-N 3.43Å; T18-L22 PolarHBondContact O-N 3.46Å
19	K	75.9	Confident	69.7	Low	121 Å²	121	127.5 Å²	127.5	53%	0.526	61%	0.609	S	S	.	*	H	α-helix	trans	-72.9	-33.7	178	-72.4	-172	175.8	-178.6	0	112.4	F15 T16 L21 L22 F23	F15-K19 HydrophobicContact CD1-CB 3.54Å; F15-K19 HydrophobicContact CD1-CD 4.02Å; F15-K19 HydrophobicContact CD1-CG 4.45Å; F15-K19 HydrophobicContact CE1-CB 4.14Å; F15-K19 HydrophobicContact CE1-CD 4.12Å; T16-K19 PolarHBondContact O-N 2.79Å; K19-L21 VanDerWaalsContact C-N 3.34Å; K19-L22 PolarHBondContact O-N 3.4Å; K19-F23 WeakPolarHBondContact O-CB 3.38Å; K19-F23 PolarHBondContact O-N 2.92Å
20	I	79.8	Confident	71.7	Confident	84 Å²	84	125.9 Å²	125.9	43%	0.431	60%	0.598	S	S	.	*	H	α-helix	trans	-64.3	-43.8	172.6	-58.3	-179	0	0	0	109.7	F15 T16 K17 L22 F23 L24	F15-I20 HydrophobicContact CB-CD1 4.16Å; F15-I20 HydrophobicContact CB-CG1 3.72Å; T16-I20 PolarHBondContact O-N 2.87Å; K17-I20 PolarHBondContact O-N 3.01Å; I20-L22 PolarHBondContact O-N 3.49Å; I20-F23 PolarHBondContact O-N 3.47Å; I20-L24 HydrophobicContact CG2-CD1 4.07Å; I20-L24 HydrophobicContact CG2-CG 4.41Å; I20-L24 WeakPolarHBondContact O-CG 3.32Å; I20-L24 PolarHBondContact O-N 2.92Å
21	L	81.6	Confident	73.9	Confident	121 Å²	121	120.2 Å²	120.2	63%	0.634	58%	0.579	S	S	*	*	H	α-helix	trans	-61.4	-45.2	177.3	-150.6	92.8	0	0	0	111.3	K17 T18 K19 F23 L24 L25	K17-L21 PolarHBondContact O-N 3.4Å; T18-L21 PolarHBondContact O-N 3.43Å; K19-L21 VanDerWaalsContact C-N 3.34Å; L21-F23 VanDerWaalsContact C-N 3.35Å; L21-F23 PolarHBondContact O-N 3.24Å; L21-L24 PolarHBondContact O-N 2.91Å; L21-L25 VanDerWaalsContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CB 3.39Å; L21-L25 PolarHBondContact O-N 2.89Å
22	L	84.9	Confident	76	Confident	99 Å²	99	116.7 Å²	116.7	52%	0.518	57%	0.566	S	S	.	*	H	α-helix	trans	-61	-40.6	174.9	-85.5	157.7	0	0	0	112.5	T18 K19 I20 L25 F26	T18-L22 PolarHBondContact O-N 3.46Å; K19-L22 PolarHBondContact O-N 3.4Å; I20-L22 PolarHBondContact O-N 3.49Å; L22-L25 PolarHBondContact O-N 3.45Å; L22-F26 WeakPolarHBondContact O-CB 3.48Å; L22-F26 PolarHBondContact O-N 3.4Å
23	F	83.5	Confident	77.8	Confident	132 Å²	132	115.3 Å²	115.3	58%	0.579	56%	0.56	S	S	*	*	H	α-helix	trans	-66.6	-43.6	177.9	-176	-106.1	0	0	0	112.2	K19 I20 L21 L25 F26 I27	K19-F23 WeakPolarHBondContact O-CB 3.38Å; K19-F23 PolarHBondContact O-N 2.92Å; I20-F23 PolarHBondContact O-N 3.47Å; L21-F23 VanDerWaalsContact C-N 3.35Å; L21-F23 PolarHBondContact O-N 3.24Å; F23-L25 VanDerWaalsContact C-N 3.31Å; F23-L25 PolarHBondContact O-N 3.08Å; F23-F26 WeakPolarHBondContact O-CB 3.27Å; F23-F26 PolarHBondContact O-N 3Å; F23-I27 HydrophobicContact CD1-CD1 3.74Å; F23-I27 HydrophobicContact CE1-CD1 3.3Å; F23-I27 HydrophobicContact CE1-CG1 4.3Å; F23-I27 HydrophobicContact CZ-CD1 3.76Å; F23-I27 HydrophobicContact CZ-CG1 4.41Å; F23-I27 WeakPolarHBondContact O-CG1 3.34Å; F23-I27 PolarHBondContact O-N 3.4Å
24	L	86.4	Confident	79.1	Confident	105 Å²	105	110.2 Å²	110.2	55%	0.55	54%	0.537	S	S	.	.	H	α-helix	trans	-64.8	-37.2	175	-70	173.6	0	0	0	111.8	I20 L21 I27 G28	I20-L24 HydrophobicContact CG2-CD1 4.07Å; I20-L24 HydrophobicContact CG2-CG 4.41Å; I20-L24 WeakPolarHBondContact O-CG 3.32Å; I20-L24 PolarHBondContact O-N 2.92Å; L21-L24 PolarHBondContact O-N 2.91Å; L24-I27 PolarHBondContact O-N 2.88Å; L24-G28 PolarHBondContact O-N 3.26Å
25	L	89.1	Confident	80.4	Confident	99 Å²	99	104.7 Å²	104.7	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-67.3	-38.7	175.7	-155.2	151.2	0	0	0	110.9	L21 L22 F23 G28 I29	L21-L25 VanDerWaalsContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CB 3.39Å; L21-L25 PolarHBondContact O-N 2.89Å; L22-L25 PolarHBondContact O-N 3.45Å; F23-L25 VanDerWaalsContact C-N 3.31Å; F23-L25 PolarHBondContact O-N 3.08Å; L25-G28 PolarHBondContact O-N 3.31Å; L25-I29 HydrophobicContact CD2-CD1 3.48Å; L25-I29 VanDerWaalsContact CD2-CD1 3.48Å; L25-I29 HydrophobicContact CD2-CG1 4.14Å; L25-I29 WeakPolarHBondContact O-CB 3.5Å; L25-I29 WeakPolarHBondContact O-CG1 3.48Å; L25-I29 PolarHBondContact O-N 2.92Å
26	F	87.6	Confident	81.6	Confident	147 Å²	147	103.8 Å²	103.8	65%	0.645	52%	0.521	S	S	*	.	H	α-helix	trans	-63	-43.3	171.5	-106.9	-82.8	0	0	0	112.8	L22 F23 G28 I29 Y30	L22-F26 WeakPolarHBondContact O-CB 3.48Å; L22-F26 PolarHBondContact O-N 3.4Å; F23-F26 WeakPolarHBondContact O-CB 3.27Å; F23-F26 PolarHBondContact O-N 3Å; F26-G28 VanDerWaalsContact C-N 3.34Å; F26-I29 PolarHBondContact O-N 3.36Å; F26-Y30 VanDerWaalsContact O-CB 3.28Å; F26-Y30 WeakPolarHBondContact O-CB 3.45Å; F26-Y30 PolarHBondContact O-N 3.27Å
27	I	86.5	Confident	81.5	Confident	77 Å²	77	108.1 Å²	108.1	40%	0.395	53%	0.528	S	S	.	.	H	α-helix	trans	-62.3	-43.7	174.7	-70.3	169.9	0	0	0	110.3	F23 L24 Y30 T31	F23-I27 HydrophobicContact CD1-CD1 3.74Å; F23-I27 HydrophobicContact CE1-CD1 3.3Å; F23-I27 HydrophobicContact CE1-CG1 4.3Å; F23-I27 HydrophobicContact CZ-CD1 3.76Å; F23-I27 HydrophobicContact CZ-CG1 4.41Å; F23-I27 WeakPolarHBondContact O-CG1 3.34Å; F23-I27 PolarHBondContact O-N 3.4Å; L24-I27 PolarHBondContact O-N 2.88Å; I27-Y30 PolarHBondContact O-N 3.48Å; I27-T31 HydrophobicContact CG2-CG2 4.42Å; I27-T31 WeakPolarHBondContact O-CG2 3.37Å; I27-T31 PolarHBondContact O-N 2.89Å; I27-T31 PolarHBondContact O-OG1 2.92Å
28	G	87.4	Confident	81	Confident	35 Å²	35	101.4 Å²	101.4	36%	0.361	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-42.3	177.3	0	0	0	0	0	113	L24 L25 F26 T31 L32	L24-G28 PolarHBondContact O-N 3.26Å; L25-G28 PolarHBondContact O-N 3.31Å; F26-G28 VanDerWaalsContact C-N 3.34Å; G28-T31 PolarHBondContact O-OG1 3.32Å; G28-L32 WeakPolarHBondContact O-CB 3.38Å; G28-L32 PolarHBondContact O-N 3.34Å; G28-L32 VanDerWaalsContact O-N 3.1Å
29	I	87	Confident	80.1	Confident	78 Å²	78	101.3 Å²	101.3	40%	0.4	50%	0.501	S	S	.	.	H	α-helix	trans	-65.2	-43.3	174.5	-71.6	173.8	0	0	0	110.5	L25 F26 L32 F33	L25-I29 HydrophobicContact CD2-CD1 3.48Å; L25-I29 VanDerWaalsContact CD2-CD1 3.48Å; L25-I29 HydrophobicContact CD2-CG1 4.14Å; L25-I29 WeakPolarHBondContact O-CB 3.5Å; L25-I29 WeakPolarHBondContact O-CG1 3.48Å; L25-I29 PolarHBondContact O-N 2.92Å; F26-I29 PolarHBondContact O-N 3.36Å; I29-L32 PolarHBondContact O-N 2.94Å; I29-F33 HydrophobicContact CG2-CD2 3.52Å; I29-F33 HydrophobicContact CG2-CE2 3.47Å; I29-F33 VanDerWaalsContact CG2-CE2 3.47Å; I29-F33 VanDerWaalsContact O-CD2 3.26Å; I29-F33 WeakPolarHBondContact O-CD2 3.43Å; I29-F33 PolarHBondContact O-N 3.01Å
30	Y	85.4	Confident	79.2	Confident	157 Å²	157	99.3 Å²	99.3	62%	0.616	50%	0.499	S	S	*	.	H	α-helix	trans	-63.7	-42.9	-179.6	-175.8	-105.7	0	0	0	112.6	F26 I27 L32 F33 I34	F26-Y30 VanDerWaalsContact O-CB 3.28Å; F26-Y30 WeakPolarHBondContact O-CB 3.45Å; F26-Y30 PolarHBondContact O-N 3.27Å; I27-Y30 PolarHBondContact O-N 3.48Å; Y30-L32 VanDerWaalsContact C-N 3.32Å; Y30-L32 PolarHBondContact O-N 3.46Å; Y30-F33 PolarHBondContact O-N 3.49Å; Y30-I34 HydrophobicContact CD1-CD1 3.69Å; Y30-I34 HydrophobicContact CE1-CD1 3.24Å; Y30-I34 HydrophobicContact CE1-CG1 4.26Å; Y30-I34 HydrophobicContact CE2-CD1 4.47Å; Y30-I34 HydrophobicContact CG-CD1 4.47Å; Y30-I34 WeakPolarHBondContact O-CG1 3.42Å; Y30-I34 PolarHBondContact O-N 3.4Å
31	T	83.7	Confident	77.7	Confident	66 Å²	66	101.2 Å²	101.2	41%	0.405	50%	0.504	S	S	.	.	H	α-helix	trans	-67.2	-34.7	175.3	55.2	0	0	0	0	112	I27 G28 I34 N35	I27-T31 HydrophobicContact CG2-CG2 4.42Å; I27-T31 WeakPolarHBondContact O-CG2 3.37Å; I27-T31 PolarHBondContact O-N 2.89Å; I27-T31 PolarHBondContact O-OG1 2.92Å; G28-T31 PolarHBondContact O-OG1 3.32Å; T31-I34 PolarHBondContact O-N 3.06Å; T31-N35 WeakPolarHBondContact O-CB 3.47Å; T31-N35 PolarHBondContact O-N 2.89Å; T31-N35 PolarHBondContact O-ND2 3.43Å
32	L	84.8	Confident	76	Confident	105 Å²	105	102.9 Å²	102.9	55%	0.55	51%	0.506	S	S	.	.	H	α-helix	trans	-67.4	-39.8	175	-156.2	129.4	0	0	0	111.5	G28 I29 Y30 N35 I36	G28-L32 WeakPolarHBondContact O-CB 3.38Å; G28-L32 PolarHBondContact O-N 3.34Å; G28-L32 VanDerWaalsContact O-N 3.1Å; I29-L32 PolarHBondContact O-N 2.94Å; Y30-L32 VanDerWaalsContact C-N 3.32Å; Y30-L32 PolarHBondContact O-N 3.46Å; L32-N35 PolarHBondContact O-N 3.47Å; L32-I36 HydrophobicContact CD2-CD1 3.57Å; L32-I36 HydrophobicContact CD2-CG1 4.41Å; L32-I36 HydrophobicContact CG-CD1 4.48Å; L32-I36 WeakPolarHBondContact O-CB 3.46Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.41Å; L32-I36 PolarHBondContact O-N 2.69Å
33	F	80.8	Confident	74.1	Confident	136 Å²	136	104.9 Å²	104.9	60%	0.596	52%	0.518	S	S	*	.	H	α-helix	trans	-65.9	-39.4	172	-86.8	-69.6	0	0	0	112.9	I29 Y30 N35 I36 W37	I29-F33 HydrophobicContact CG2-CD2 3.52Å; I29-F33 HydrophobicContact CG2-CE2 3.47Å; I29-F33 VanDerWaalsContact CG2-CE2 3.47Å; I29-F33 VanDerWaalsContact O-CD2 3.26Å; I29-F33 WeakPolarHBondContact O-CD2 3.43Å; I29-F33 PolarHBondContact O-N 3.01Å; Y30-F33 PolarHBondContact O-N 3.49Å; F33-N35 VanDerWaalsContact C-N 3.34Å; F33-I36 PolarHBondContact O-N 3.01Å; F33-W37 WeakPolarHBondContact O-CB 3.28Å; F33-W37 PolarHBondContact O-N 2.88Å
34	I	77.8	Confident	72	Confident	70 Å²	70	102.8 Å²	102.8	36%	0.359	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-43.8	173.9	-73	169.8	0	0	0	110.6	Y30 T31 W37 S38	Y30-I34 HydrophobicContact CD1-CD1 3.69Å; Y30-I34 HydrophobicContact CE1-CD1 3.24Å; Y30-I34 HydrophobicContact CE1-CG1 4.26Å; Y30-I34 HydrophobicContact CE2-CD1 4.47Å; Y30-I34 HydrophobicContact CG-CD1 4.47Å; Y30-I34 WeakPolarHBondContact O-CG1 3.42Å; Y30-I34 PolarHBondContact O-N 3.4Å; T31-I34 PolarHBondContact O-N 3.06Å; I34-W37 PolarHBondContact O-N 3.41Å; I34-S38 WeakPolarHBondContact O-CB 3.37Å; I34-S38 PolarHBondContact O-N 3.09Å
35	N	76.6	Confident	69.4	Low	95 Å²	95	102.7 Å²	102.7	51%	0.508	52%	0.519	S	S	.	.	H	α-helix	trans	-68.7	-40.5	179	-75.5	-25.8	0	0	0	112.1	T31 L32 F33 S38 L39	T31-N35 WeakPolarHBondContact O-CB 3.47Å; T31-N35 PolarHBondContact O-N 2.89Å; T31-N35 PolarHBondContact O-ND2 3.43Å; L32-N35 PolarHBondContact O-N 3.47Å; F33-N35 VanDerWaalsContact C-N 3.34Å; N35-S38 PolarHBondContact O-N 2.98Å; N35-S38 PolarHBondContact O-OG 3.49Å; N35-S38 VanDerWaalsContact O-OG 3.08Å; N35-L39 VanDerWaalsContact O-CB 3.26Å; N35-L39 WeakPolarHBondContact O-CB 3.48Å; N35-L39 WeakPolarHBondContact O-CD1 3.29Å; N35-L39 VanDerWaalsContact O-CG 3.25Å; N35-L39 WeakPolarHBondContact O-CG 3.36Å; N35-L39 PolarHBondContact O-N 3.07Å
36	I	75.6	Confident	66.7	Low	82 Å²	82	103 Å²	103	42%	0.421	53%	0.527	S	S	.	.	H	α-helix	trans	-64.1	-43.5	173.5	-70	171.3	0	0	0	110	L32 F33 S38 L39 T40	L32-I36 HydrophobicContact CD2-CD1 3.57Å; L32-I36 HydrophobicContact CD2-CG1 4.41Å; L32-I36 HydrophobicContact CG-CD1 4.48Å; L32-I36 WeakPolarHBondContact O-CB 3.46Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.41Å; L32-I36 PolarHBondContact O-N 2.69Å; F33-I36 PolarHBondContact O-N 3.01Å; I36-S38 VanDerWaalsContact C-N 3.35Å; I36-S38 PolarHBondContact O-N 3.17Å; I36-L39 PolarHBondContact O-N 3.28Å; I36-T40 HydrophobicContact CG2-CG2 4.37Å; I36-T40 WeakPolarHBondContact O-CG2 3.48Å; I36-T40 PolarHBondContact O-N 3.25Å; I36-T40 PolarHBondContact O-OG1 2.79Å
37	W	66.9	Low	64.2	Low	171 Å²	171	105.5 Å²	105.5	65%	0.648	54%	0.538	S	S	*	.	H	α-helix	trans	-63.1	-41.9	177.5	-173.4	56.5	0	0	0	111.4	F33 I34 T40 K41	F33-W37 WeakPolarHBondContact O-CB 3.28Å; F33-W37 PolarHBondContact O-N 2.88Å; I34-W37 PolarHBondContact O-N 3.41Å; W37-T40 WeakPolarHBondContact CA-OG1 3.26Å; W37-T40 PolarHBondContact O-N 3.09Å; W37-T40 PolarHBondContact O-OG1 2.95Å; W37-K41 WeakPolarHBondContact O-CB 3.09Å; W37-K41 PolarHBondContact O-N 3.14Å
38	S	62.4	Low	61.6	Low	49 Å²	49	107.2 Å²	107.2	34%	0.343	55%	0.547	S	S	.	.	H	α-helix	trans	-65.7	-38.9	174.6	86.8	0	0	0	0	111.7	I34 N35 I36 K41 F42	I34-S38 WeakPolarHBondContact O-CB 3.37Å; I34-S38 PolarHBondContact O-N 3.09Å; N35-S38 PolarHBondContact O-N 2.98Å; N35-S38 PolarHBondContact O-OG 3.49Å; N35-S38 VanDerWaalsContact O-OG 3.08Å; I36-S38 VanDerWaalsContact C-N 3.35Å; I36-S38 PolarHBondContact O-N 3.17Å; S38-K41 PolarHBondContact O-N 3.36Å; S38-F42 WeakPolarHBondContact O-CB 3.41Å; S38-F42 PolarHBondContact O-N 3.1Å
39	L	58.9	Low	58.7	Low	98 Å²	98	111.9 Å²	111.9	51%	0.513	56%	0.564	S	S	.	*	H	α-helix	trans	-67.8	-39.9	176.4	-80.4	160.4	0	0	0	112.3	N35 I36 K41 F42 N43	N35-L39 VanDerWaalsContact O-CB 3.26Å; N35-L39 WeakPolarHBondContact O-CB 3.48Å; N35-L39 WeakPolarHBondContact O-CD1 3.29Å; N35-L39 VanDerWaalsContact O-CG 3.25Å; N35-L39 WeakPolarHBondContact O-CG 3.36Å; N35-L39 PolarHBondContact O-N 3.07Å; I36-L39 PolarHBondContact O-N 3.28Å; L39-K41 VanDerWaalsContact C-N 3.32Å; L39-F42 PolarHBondContact O-N 2.93Å; L39-N43 WeakPolarHBondContact O-CB 3.44Å; L39-N43 PolarHBondContact O-N 3.43Å
40	T	57.2	Low	56.2	Low	80 Å²	80	116.2 Å²	116.2	49%	0.491	58%	0.58	S	S	.	*	H	α-helix	trans	-66.8	-36.8	174.6	52.3	0	0	0	0	111.4	I36 W37 F42 N43 S44	I36-T40 HydrophobicContact CG2-CG2 4.37Å; I36-T40 WeakPolarHBondContact O-CG2 3.48Å; I36-T40 PolarHBondContact O-N 3.25Å; I36-T40 PolarHBondContact O-OG1 2.79Å; W37-T40 WeakPolarHBondContact CA-OG1 3.26Å; W37-T40 PolarHBondContact O-N 3.09Å; W37-T40 PolarHBondContact O-OG1 2.95Å; T40-F42 VanDerWaalsContact C-N 3.34Å; T40-N43 PolarHBondContact O-N 2.75Å; T40-S44 WeakPolarHBondContact O-CB 3.48Å; T40-S44 PolarHBondContact O-N 3Å; T40-S44 PolarHBondContact O-OG 2.8Å; T40-S44 VanDerWaalsContact O-OG 3.1Å
41	K	47.6	Very low	53.6	Low	124 Å²	124	116.1 Å²	116.1	54%	0.539	59%	0.588	S	S	.	*	H	α-helix	trans	-70.1	-33	174.2	-135.1	178.3	-174.4	-178.6	0	111.7	W37 S38 L39 S44 L45	W37-K41 WeakPolarHBondContact O-CB 3.09Å; W37-K41 PolarHBondContact O-N 3.14Å; S38-K41 PolarHBondContact O-N 3.36Å; L39-K41 VanDerWaalsContact C-N 3.32Å; K41-S44 PolarHBondContact O-OG 2.73Å; K41-L45 WeakPolarHBondContact O-CD1 3.33Å; K41-L45 PolarHBondContact O-N 2.96Å
42	F	46.8	Very low	50.9	Low	155 Å²	155	119.6 Å²	119.6	68%	0.68	60%	0.6	S	S	*	*	H	α-helix	trans	-71.3	-38.9	174.5	-109.5	-87.1	0	0	0	112.7	S38 L39 T40 L45	S38-F42 WeakPolarHBondContact O-CB 3.41Å; S38-F42 PolarHBondContact O-N 3.1Å; L39-F42 PolarHBondContact O-N 2.93Å; T40-F42 VanDerWaalsContact C-N 3.34Å; F42-L45 PolarHBondContact O-N 3.25Å
43	N	44.9	Very low	48.4	Very low	141 Å²	141	121.7 Å²	121.7	75%	0.754	61%	0.605	S	S	*	*	H	α-helix	trans	-81.6	-16.9	179.1	-75.6	-12.3	0	0	0	113.4	L39 T40	L39-N43 WeakPolarHBondContact O-CB 3.44Å; L39-N43 PolarHBondContact O-N 3.43Å; T40-N43 PolarHBondContact O-N 2.75Å
44	S	38.3	Very low	45.9	Very low	88 Å²	88	122.8 Å²	122.8	62%	0.615	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	3	169.9	72	0	0	0	0	113.4	T40 K41	T40-S44 WeakPolarHBondContact O-CB 3.48Å; T40-S44 PolarHBondContact O-N 3Å; T40-S44 PolarHBondContact O-OG 2.8Å; T40-S44 VanDerWaalsContact O-OG 3.1Å; K41-S44 PolarHBondContact O-OG 2.73Å
45	L	31.8	Very low	43.7	Very low	103 Å²	103	126.6 Å²	126.6	54%	0.539	63%	0.633	S	S	.	*	S	Bend	trans	-74.2	125.8	163.8	-103.4	82.8	0	0	0	107.9	K41 F42 K47	K41-L45 WeakPolarHBondContact O-CD1 3.33Å; K41-L45 PolarHBondContact O-N 2.96Å; F42-L45 PolarHBondContact O-N 3.25Å; L45-K47 PolarHBondContact O-N 3.37Å
46	P	33.5	Very low	41.3	Very low	107 Å²	107	129.2 Å²	129.2	70%	0.695	65%	0.646	S	S	*	*			trans	-54.8	131.8	174.9	21.8	-30.1	0	0	0	108.7	L48	P46-L48 PolarHBondContact O-N 3.03Å
47	K	35.6	Very low	39	Very low	199 Å²	199	132.6 Å²	132.6	87%	0.865	66%	0.658	S	S	*	*			trans	-47.6	108	170.2	-76.8	176.8	175.9	176.8	0	107.4	L45 N49	L45-K47 PolarHBondContact O-N 3.37Å; K47-N49 PolarHBondContact O-N 3.29Å
48	L	29.9	Very low	37.2	Very low	112 Å²	112	132 Å²	132	59%	0.586	66%	0.662	S	S	*	*			trans	-62.9	93.2	171.7	-100.9	91.5	0	0	0	106.9	P46 F50 F53	P46-L48 PolarHBondContact O-N 3.03Å; L48-F50 PolarHBondContact O-N 3.46Å; L48-F50 VanDerWaalsContact O-N 3.1Å; L48-F53 HydrophobicContact CD2-CE2 4.14Å
49	N	27.9	Very low	35.8	Very low	134 Å²	134	133.5 Å²	133.5	72%	0.717	67%	0.666	S	S	*	*			trans	-60.5	112.3	159.9	-83	-16.4	0	0	0	106.1	K47 I51	K47-N49 PolarHBondContact O-N 3.29Å; N49-I51 PolarHBondContact O-N 3.3Å
50	F	33.1	Very low	34.5	Very low	169 Å²	169	137 Å²	137	74%	0.741	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	22.1	179	-96.8	-88.8	0	0	0	114.5	L48 F53	L48-F50 PolarHBondContact O-N 3.46Å; L48-F50 VanDerWaalsContact O-N 3.1Å; F50-F53 HydrophobicContact CD1-CD2 4.49Å
51	I	31.5	Very low	33.6	Very low	154 Å²	154	137 Å²	137	79%	0.79	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	-3.9	-171.6	-61.9	175.5	0	0	0	112.5	N49	N49-I51 PolarHBondContact O-N 3.3Å
52	Q	28.2	Very low	33.3	Very low	140 Å²	140	140.2 Å²	140.2	65%	0.654	68%	0.684	S	S	*	*			trans	-116.2	20.3	176	-91.4	-177.7	-36.6	0	0	115.9	N54 E55	Q52-N54 PolarHBondContact O-N 2.91Å; Q52-E55 PolarHBondContact O-N 3.49Å
53	F	31.1	Very low	33.4	Very low	149 Å²	149	137.5 Å²	137.5	65%	0.654	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	1.4	169.7	-100.7	-79.4	0	0	0	114.7	L48 F50	L48-F53 HydrophobicContact CD2-CE2 4.14Å; F50-F53 HydrophobicContact CD1-CD2 4.49Å
54	N	28.6	Very low	33.7	Very low	158 Å²	158	135.3 Å²	135.3	85%	0.845	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-5.7	174.3	-79.8	-4.6	0	0	0	114.9	Q52	Q52-N54 PolarHBondContact O-N 2.91Å
55	E	30.7	Very low	35.1	Very low	150 Å²	150	135.9 Å²	135.9	70%	0.701	66%	0.656	S	S	*	*	S	Bend	trans	-114.6	8.9	-177.2	-76.1	-174.6	153.3	0	0	115.8	Q52	Q52-E55 PolarHBondContact O-N 3.49Å
56	L	26.6	Very low	37.4	Very low	150 Å²	150	135 Å²	135	79%	0.785	65%	0.648	S	S	*	*			trans	-114.2	21.8	176.5	-87.2	160.2	0	0	0	115.1	Q58	L56-Q58 PolarHBondContact O-N 3.5Å; L56-Q58 VanDerWaalsContact O-N 3.11Å
57	K	28.3	Very low	40.1	Very low	153 Å²	153	130.4 Å²	130.4	67%	0.665	62%	0.618	S	S	*	*			trans	-79.9	53.5	154.5	-81.6	-173.7	178.8	178.2	0	110.2	I59	K57-I59 PolarHBondContact O-N 3.34Å
58	Q	27.7	Very low	42.5	Very low	158 Å²	158	122.6 Å²	122.6	74%	0.738	59%	0.588	S	S	*	*			trans	-74	83.1	149.4	-80	-171.3	-6.3	0	0	105.7	L56 H60	L56-Q58 PolarHBondContact O-N 3.5Å; L56-Q58 VanDerWaalsContact O-N 3.11Å; Q58-H60 VanDerWaalsContact C-N 3.3Å; Q58-H60 PolarHBondContact O-N 3Å
59	I	33.1	Very low	45	Very low	81 Å²	81	119.1 Å²	119.1	42%	0.415	57%	0.57	S	S	.	*			trans	-55	104.2	163.9	-62.2	169.8	0	0	0	104.2	K57 H61	K57-I59 PolarHBondContact O-N 3.34Å; I59-H61 PolarHBondContact O-N 3.01Å
60	H	32.2	Very low	47.2	Very low	172 Å²	172	113.9 Å²	113.9	80%	0.796	54%	0.543	S	S	*	.			trans	-58.4	97.6	161.4	-91.3	-64.5	0	0	0	105.2	Q58 Y62	Q58-H60 VanDerWaalsContact C-N 3.3Å; Q58-H60 PolarHBondContact O-N 3Å; H60-Y62 PolarHBondContact O-N 2.77Å
61	H	37.4	Very low	49	Very low	80 Å²	80	112.2 Å²	112.2	37%	0.37	53%	0.533	S	S	.	.			trans	-62.1	86.7	172	-84.6	-69.3	0	0	0	106.8	I59 Q63 H729 H738	I59-H61 PolarHBondContact O-N 3.01Å; H61-Q63 PolarHBondContact O-N 2.94Å; H61-H729 AromaticContact CE1-CE1 3.57Å; H61-H729 AromaticContact NE2-CE1 3.76Å; H61-H738 AromaticContact CE1-ND1 3.66Å; H61-H738 AromaticContact NE2-CE1 3.73Å; H61-H738 AromaticContact NE2-ND1 3.58Å
62	Y	41.6	Very low	51.1	Low	192 Å²	192	105.9 Å²	105.9	75%	0.753	50%	0.5	S	S	*	.			trans	-61.9	93.6	156	-119.3	-87.4	0	0	0	104.1	H60 M64	H60-Y62 PolarHBondContact O-N 2.77Å; Y62-M64 VanDerWaalsContact C-N 3.34Å; Y62-M64 PolarHBondContact O-N 2.99Å
63	Q	48.8	Very low	53.1	Low	97 Å²	97	101.3 Å²	101.3	45%	0.453	48%	0.48	S	S	.	.			trans	-50.3	110.3	162.8	-73.9	-177.3	-49	0	0	105	H61 N65 E661	H61-Q63 PolarHBondContact O-N 2.94Å; Q63-N65 VanDerWaalsContact C-N 3.27Å; Q63-N65 PolarHBondContact O-N 3.34Å; Q63-E661 PolarHBondContact NE2-OE1 3.48Å
64	M	52.4	Low	55.1	Low	96 Å²	96	97.8 Å²	97.8	47%	0.473	47%	0.468	S	S	.	.			trans	-67.6	99	175.7	-78.2	-153.2	144.5	0	0	105.7	Y62 K66 L592 R727	Y62-M64 VanDerWaalsContact C-N 3.34Å; Y62-M64 PolarHBondContact O-N 2.99Å; M64-K66 PolarHBondContact O-N 2.91Å; M64-L592 HydrophobicContact CE-CB 4.02Å; M64-L592 HydrophobicContact CE-CD1 3.89Å; M64-L592 HydrophobicContact SD-CB 4.11Å; M64-L592 HydrophobicContact SD-CD1 4Å; M64-R727 PolarHBondContact O-NH1 3.34Å
65	N	68.1	Low	57.1	Low	100 Å²	100	95.2 Å²	95.2	54%	0.535	45%	0.446	S	S	.	.			trans	-70.5	54.5	167.7	-73.2	-11.6	0	0	0	109.3	Q63 C67	Q63-N65 VanDerWaalsContact C-N 3.27Å; Q63-N65 PolarHBondContact O-N 3.34Å; N65-C67 PolarHBondContact O-N 3.34Å
66	K	79.4	Confident	58.6	Low	85 Å²	85	89.6 Å²	89.6	37%	0.37	42%	0.423	S	S	.	.			trans	-68	125.9	176.4	174.8	-178.8	173.8	-168.7	0	108	M64 S68 L592	M64-K66 PolarHBondContact O-N 2.91Å; K66-S68 PolarHBondContact O-N 3.33Å; K66-S68 PolarHBondContact O-OG 3.32Å; K66-S68 VanDerWaalsContact O-OG 3.08Å; K66-L592 VanDerWaalsContact CA-O 3.23Å; K66-L592 WeakPolarHBondContact CA-O 3.32Å; K66-L592 WeakPolarHBondContact CB-O 3.39Å; K66-L592 WeakPolarHBondContact CG-O 3.47Å
67	C	89.8	Confident	59.8	Low	9 Å²	9	86.2 Å²	86.2	6%	0.061	41%	0.405	C	S	.	.			trans	-53.9	118.1	171.2	-179.7	0	0	0	0	109.3	N65 L272 L524 C608	N65-C67 PolarHBondContact O-N 3.34Å; C67-L272 HydrophobicContact CB-CD2 3.97Å; C67-L272 WeakPolarHBondContact O-CD2 3.45Å; C67-L524 HydrophobicContact CB-CB 4Å; C67-L524 HydrophobicContact CB-CD2 4.19Å; C67-C608 HydrophobicContact CB-CB 3.89Å; C67-C608 WeakPolarHBondContact CB-SG 3.26Å; C67-C608 WeakPolarHBondContact SG-CB 3.47Å; C67-C608 CovalentContact SG-SG 2.03Å; C67-C608 PolarHBondContact SG-SG 2.99Å
68	S	85.3	Confident	60.9	Low	36 Å²	36	86 Å²	86	25%	0.252	41%	0.407	S	S	.	.			trans	-126.5	142.9	179.6	-59.8	0	0	0	0	108	K66 C608 L609	K66-S68 PolarHBondContact O-N 3.33Å; K66-S68 PolarHBondContact O-OG 3.32Å; K66-S68 VanDerWaalsContact O-OG 3.08Å; S68-C608 CarbonylContact O-C 3.59Å; S68-C608 WeakPolarHBondContact O-CA 3.41Å; S68-L609 WeakPolarHBondContact O-CB 3.42Å; S68-L609 WeakPolarHBondContact O-CG 3.28Å; S68-L609 PolarHBondContact O-N 2.7Å
69	I	83.9	Confident	61.9	Low	38 Å²	38	82.9 Å²	82.9	20%	0.195	39%	0.391	C	S	.	.			trans	-109.8	151.8	178.5	53	168.8	0	0	0	110.2	M72 L272 L495 V607	I69-M72 HydrophobicContact CD1-CE 4.14Å; I69-L272 HydrophobicContact CB-CD1 4.31Å; I69-L272 HydrophobicContact CD1-CD1 3.97Å; I69-L272 HydrophobicContact CG1-CD1 3.89Å; I69-L272 HydrophobicContact CG2-CD1 3.57Å; I69-L495 HydrophobicContact CB-CD1 4.47Å; I69-L495 HydrophobicContact CD1-CD1 3.77Å; I69-L495 HydrophobicContact CG2-CD1 4.07Å; I69-V607 HydrophobicContact CG2-CB 4.05Å; I69-V607 HydrophobicContact CG2-CG2 3.56Å
70	P	72.7	Confident	62.7	Low	25 Å²	25	86.2 Å²	86.2	16%	0.162	40%	0.404	C	S	.	.			trans	-62.3	155.6	173.5	29	-37.4	0	0	0	110.8	M72 L491 L609 L665	P70-M72 PolarHBondContact O-N 3.49Å; P70-L491 HydrophobicContact CG-CD1 3.38Å; P70-L491 HydrophobicContact CG-CD2 3.85Å; P70-L491 HydrophobicContact CG-CG 4.27Å; P70-L609 HydrophobicContact CB-CD2 4.32Å; P70-L609 HydrophobicContact CG-CD2 4.46Å; P70-L665 HydrophobicContact CB-CD2 4.3Å; P70-L665 HydrophobicContact CG-CD2 3.78Å
71	Y	72	Confident	63.2	Low	134 Å²	134	85.5 Å²	85.5	53%	0.525	41%	0.407	S	S	.	.			trans	-61.7	129.4	170.4	-179.3	-98.5	0	0	0	110.2	N73 M758	Y71-N73 WeakPolarHBondContact CE1-OD1 3.46Å; Y71-M758 HydrophobicContact CD2-CE 4.13Å; Y71-M758 HydrophobicContact CG-CE 4.39Å
72	M	76.2	Confident	63.6	Low	21 Å²	21	86 Å²	86	10%	0.103	41%	0.411	C	S	.	.			trans	-117.3	130.4	177.6	-61.4	-175.4	-65.2	0	0	109.8	I69 P70 L247 L491 L495	I69-M72 HydrophobicContact CD1-CE 4.14Å; P70-M72 PolarHBondContact O-N 3.49Å; M72-L247 HydrophobicContact CB-CD1 3.52Å; M72-L247 HydrophobicContact CE-CD1 4.11Å; M72-L247 HydrophobicContact CE-CG 4.37Å; M72-L247 HydrophobicContact SD-CD1 4.29Å; M72-L491 HydrophobicContact CG-CD1 4.16Å; M72-L491 HydrophobicContact SD-CB 3.65Å; M72-L491 HydrophobicContact SD-CD1 4.19Å; M72-L495 HydrophobicContact CE-CD1 3.64Å; M72-L495 HydrophobicContact SD-CD1 4.06Å
73	N	68.3	Low	63.8	Low	43 Å²	43	83.9 Å²	83.9	23%	0.23	41%	0.412	C	S	.	.			trans	-72.4	138.6	176.2	-70.3	-42.7	0	0	0	110.4	Y71 W75 N77 L247 Q488	Y71-N73 WeakPolarHBondContact CE1-OD1 3.46Å; N73-W75 WeakPolarHBondContact CB-O 3.42Å; N73-W75 PolarHBondContact O-N 2.86Å; N73-N77 PolarHBondContact ND2-OD1 3.17Å; N73-N77 VanDerWaalsContact ND2-OD1 3.12Å; N73-L247 WeakPolarHBondContact O-CD1 3.38Å; N73-Q488 PolarHBondContact O-NE2 2.91Å
74	L	74.5	Confident	63.9	Low	76 Å²	76	89.6 Å²	89.6	40%	0.398	44%	0.436	S	S	.	.	S	Bend	trans	-55.8	-38.8	174.3	179.6	62.4	0	0	0	111.6	L247 R251	L74-L247 HydrophobicContact CD1-CD2 4.32Å; L74-R251 HydrophobicContact CD1-CG 3.95Å; L74-R251 HydrophobicContact CG-CG 4.31Å; L74-R251 VanDerWaalsContact O-CD 3.27Å; L74-R251 WeakPolarHBondContact O-CD 3.43Å; L74-R251 PolarHBondContact O-NH1 3.48Å
75	W	71	Confident	63.9	Low	104 Å²	104	89 Å²	89	39%	0.394	44%	0.437	S	S	.	.	S	Bend	trans	-121.8	129.8	170.2	-66.2	95.5	0	0	0	108.8	N73 F79 R251 Y252	N73-W75 WeakPolarHBondContact CB-O 3.42Å; N73-W75 PolarHBondContact O-N 2.86Å; W75-F79 HydrophobicContact CE3-CB 4.5Å; W75-F79 HydrophobicContact CE3-CG 4.39Å; W75-R251 HydrophobicContact CD2-CG 4.18Å; W75-R251 HydrophobicContact CE3-CG 4.44Å; W75-R251 HydrophobicContact CH2-CB 3.95Å; W75-R251 HydrophobicContact CH2-CG 3.91Å; W75-R251 HydrophobicContact CZ2-CB 3.83Å; W75-R251 HydrophobicContact CZ2-CG 3.59Å; W75-R251 VanDerWaalsContact CZ3-CD 3.49Å; W75-R251 HydrophobicContact CZ3-CG 4.33Å; W75-Y252 AromaticContact CH2-CE1 3.95Å; W75-Y252 HydrophobicContact CH2-CE1 3.95Å
76	P	60.2	Low	63.7	Low	32 Å²	32	93.5 Å²	93.5	21%	0.208	45%	0.453	C	S	.	.			trans	-57.9	146.6	174.1	-20.5	29.2	0	0	0	111.6	H78 F79	P76-H78 PolarHBondContact O-N 3.29Å; P76-H78 VanDerWaalsContact O-N 3.09Å; P76-F79 HydrophobicContact CB-CD2 4.15Å; P76-F79 HydrophobicContact CG-CD2 4Å; P76-F79 HydrophobicContact CG-CE2 4.33Å; P76-F79 WeakPolarHBondContact O-CB 3.48Å; P76-F79 PolarHBondContact O-N 2.82Å
77	N	52.7	Low	63.4	Low	78 Å²	78	91.5 Å²	91.5	42%	0.417	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-54.6	-34.5	-175.3	-70.4	-5.5	0	0	0	113.1	N73 F79 H80 E722	N73-N77 PolarHBondContact ND2-OD1 3.17Å; N73-N77 VanDerWaalsContact ND2-OD1 3.12Å; N77-F79 PolarHBondContact O-N 2.87Å; N77-F79 VanDerWaalsContact O-N 3.14Å; N77-H80 PolarHBondContact O-N 3.16Å; N77-H80 VanDerWaalsContact O-N 3.17Å; N77-E722 PolarHBondContact ND2-OE2 2.97Å; N77-E722 VanDerWaalsContact ND2-OE2 3.15Å
78	H	51.2	Low	63.1	Low	150 Å²	150	97.4 Å²	97.4	69%	0.694	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-63.1	-16.5	176.9	-61.5	-70.4	0	0	0	114.5	P76	P76-H78 PolarHBondContact O-N 3.29Å; P76-H78 VanDerWaalsContact O-N 3.09Å
79	F	49.4	Very low	63.3	Low	92 Å²	92	98.5 Å²	98.5	40%	0.404	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-83.3	-11.3	176.6	-86.5	-86.4	0	0	0	114.2	W75 P76 N77 N81	W75-F79 HydrophobicContact CE3-CB 4.5Å; W75-F79 HydrophobicContact CE3-CG 4.39Å; P76-F79 HydrophobicContact CB-CD2 4.15Å; P76-F79 HydrophobicContact CG-CD2 4Å; P76-F79 HydrophobicContact CG-CE2 4.33Å; P76-F79 WeakPolarHBondContact O-CB 3.48Å; P76-F79 PolarHBondContact O-N 2.82Å; N77-F79 PolarHBondContact O-N 2.87Å; N77-F79 VanDerWaalsContact O-N 3.14Å; F79-N81 PolarHBondContact O-N 3.36Å
80	H	48.8	Very low	63.6	Low	150 Å²	150	97.6 Å²	97.6	69%	0.694	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.1	-178.8	-88.4	-64.9	0	0	0	113.3	N77	N77-H80 PolarHBondContact O-N 3.16Å; N77-H80 VanDerWaalsContact O-N 3.17Å
81	N	44	Very low	64.5	Low	158 Å²	158	104.2 Å²	104.2	85%	0.845	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-18.5	-179.8	-75.7	-12.2	0	0	0	114.6	F79 N83	F79-N81 PolarHBondContact O-N 3.36Å; N81-N83 VanDerWaalsContact C-N 3.32Å; N81-N83 PolarHBondContact O-N 2.89Å
82	I	45.5	Very low	65.3	Low	91 Å²	91	98.5 Å²	98.5	47%	0.467	48%	0.481	S	S	.	.	S	Bend	trans	-81.1	91.5	173.6	-57.2	173.9	0	0	0	106	K84 T85	I82-K84 PolarHBondContact O-N 2.9Å; I82-K84 VanDerWaalsContact O-N 3.15Å; I82-T85 HydrophobicContact CG2-CG2 3.63Å
83	N	45.6	Very low	65.7	Low	146 Å²	146	101.3 Å²	101.3	78%	0.781	49%	0.493	S	S	*	.			trans	-18.5	118.6	162.8	-96.7	-26	0	0	0	109.5	N81 T85	N81-N83 VanDerWaalsContact C-N 3.32Å; N81-N83 PolarHBondContact O-N 2.89Å; N83-T85 WeakPolarHBondContact O-CA 3.33Å; N83-T85 VanDerWaalsContact O-CG2 3.31Å; N83-T85 WeakPolarHBondContact O-CG2 3.47Å; N83-T85 PolarHBondContact O-N 3.35Å
84	K	51	Low	66.1	Low	217 Å²	217	106 Å²	106	94%	0.943	51%	0.513	S	S	*	.			trans	-32.4	89.4	171.7	-72.6	173.7	180	172	0	108.4	I82 K86	I82-K84 PolarHBondContact O-N 2.9Å; I82-K84 VanDerWaalsContact O-N 3.15Å; K84-K86 PolarHBondContact O-N 3.38Å
85	T	52.8	Low	65.8	Low	83 Å²	83	103.5 Å²	103.5	51%	0.509	50%	0.501	S	S	.	.			trans	-63.7	141.9	-161.6	38.3	0	0	0	0	105.5	I82 N83 I87	I82-T85 HydrophobicContact CG2-CG2 3.63Å; N83-T85 WeakPolarHBondContact O-CA 3.33Å; N83-T85 VanDerWaalsContact O-CG2 3.31Å; N83-T85 WeakPolarHBondContact O-CG2 3.47Å; N83-T85 PolarHBondContact O-N 3.35Å; T85-I87 PolarHBondContact O-N 3.25Å
86	K	62.4	Low	65.6	Low	196 Å²	196	99.6 Å²	99.6	85%	0.852	49%	0.489	S	S	*	.			trans	-62.3	87.6	173	-146.3	179.1	-171.4	178.5	0	105.1	K84 N88	K84-K86 PolarHBondContact O-N 3.38Å; K86-N88 PolarHBondContact O-N 2.94Å
87	I	73.7	Confident	65.7	Low	42 Å²	42	98.9 Å²	98.9	22%	0.215	48%	0.483	C	S	.	.			trans	-59.2	113.6	-179.3	-67.6	148.1	0	0	0	104.3	T85 L89 Y252 A427 Y428 K430	T85-I87 PolarHBondContact O-N 3.25Å; I87-L89 VanDerWaalsContact C-N 3.27Å; I87-L89 HydrophobicContact CG2-CD2 3.7Å; I87-L89 HydrophobicContact CG2-CG 4.31Å; I87-L89 PolarHBondContact O-N 2.85Å; I87-Y252 HydrophobicContact CD1-CE1 4.46Å; I87-A427 HydrophobicContact CD1-CB 3.75Å; I87-A427 HydrophobicContact CG1-CB 4.1Å; I87-A427 HydrophobicContact CG2-CB 4.01Å; I87-Y428 HydrophobicContact CG2-CD1 3.99Å; I87-Y428 HydrophobicContact CG2-CE1 3.85Å; I87-K430 HydrophobicContact CD1-CD 4.37Å
88	N	84.2	Confident	65.9	Low	133 Å²	133	95.8 Å²	95.8	71%	0.711	47%	0.466	S	S	*	.			trans	-72.1	92.7	175.6	-76.7	-19.9	0	0	0	107.2	K86 Y428	K86-N88 PolarHBondContact O-N 2.94Å; N88-Y428 VanDerWaalsContact O-CE1 3.29Å; N88-Y428 WeakPolarHBondContact O-CE1 3.36Å; N88-Y428 PolarHBondContact O-OH 2.83Å
89	L	89.1	Confident	66	Low	59 Å²	59	93.7 Å²	93.7	31%	0.309	46%	0.455	S	S	.	.			trans	-70.1	133.1	177.2	-64	175.3	0	0	0	109.2	I87 Y428 L431	I87-L89 VanDerWaalsContact C-N 3.27Å; I87-L89 HydrophobicContact CG2-CD2 3.7Å; I87-L89 HydrophobicContact CG2-CG 4.31Å; I87-L89 PolarHBondContact O-N 2.85Å; L89-Y428 HydrophobicContact CD2-CD1 3.86Å; L89-Y428 HydrophobicContact CD2-CE1 4.47Å; L89-L431 HydrophobicContact CB-CD1 4.12Å; L89-L431 HydrophobicContact CB-CD2 4.24Å; L89-L431 HydrophobicContact CB-CG 4.3Å; L89-L431 HydrophobicContact CD1-CD2 3.98Å; L89-L431 HydrophobicContact CD1-CG 4.25Å; L89-L431 HydrophobicContact CD2-CD1 4.38Å; L89-L431 HydrophobicContact CD2-CG 4.16Å; L89-L431 HydrophobicContact CG-CG 4.47Å
90	P	89.9	Confident	65.9	Low	19 Å²	19	93.2 Å²	93.2	12%	0.123	46%	0.457	C	S	.	.			trans	-53	141.7	170.6	-25.1	33.9	0	0	0	110.6	L384 Y391 L421 Y428	P90-L384 WeakPolarHBondContact CB-O 3.24Å; P90-L384 HydrophobicContact CG-CD2 4.18Å; P90-L384 HydrophobicContact CG-CG 4.46Å; P90-Y391 PolarHBondContact O-OH 2.93Å; P90-Y391 VanDerWaalsContact O-OH 3.12Å; P90-L421 HydrophobicContact CB-CD1 4.41Å; P90-L421 HydrophobicContact CG-CD1 4.1Å; P90-Y428 HydrophobicContact CG-CD2 3.99Å; P90-Y428 HydrophobicContact CG-CE1 4.4Å; P90-Y428 HydrophobicContact CG-CE2 3.8Å; P90-Y428 HydrophobicContact CG-CG 4.36Å
91	K	91.3	Very high	65.6	Low	165 Å²	165	94.2 Å²	94.2	72%	0.717	46%	0.455	S	S	*	.			trans	-126.2	125.8	175.9	-68	-178.1	-178.8	179.5	0	108.6
92	C	90	Very high	65.6	Low	14 Å²	14	88.5 Å²	88.5	10%	0.095	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-67.8	157.3	176.6	-52.3	0	0	0	0	111.7	Q94 C386 S389 R390 Y391	C92-Q94 PolarHBondContact O-N 3.38Å; C92-C386 WeakPolarHBondContact CA-SG 3.35Å; C92-C386 HydrophobicContact CB-CB 3.73Å; C92-C386 WeakPolarHBondContact CB-SG 3.26Å; C92-C386 PolarHBondContact N-SG 2.86Å; C92-C386 VanDerWaalsContact N-SG 3.43Å; C92-C386 WeakPolarHBondContact SG-CB 3.48Å; C92-C386 CovalentContact SG-SG 2.03Å; C92-C386 PolarHBondContact SG-SG 2.94Å; C92-S389 VanDerWaalsContact CB-O 3.26Å; C92-S389 WeakPolarHBondContact CB-O 3.43Å; C92-R390 PolarHBondContact SG-O 3.43Å; C92-Y391 WeakPolarHBondContact SG-CD1 3.47Å; C92-Y391 VanDerWaalsContact SG-CE1 3.59Å; C92-Y391 PolarHBondContact SG-N 3.31Å; C92-Y391 VanDerWaalsContact SG-N 3.45Å
93	K	83.3	Confident	65.6	Low	80 Å²	80	91.2 Å²	91.2	35%	0.348	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-55.9	133.3	177.4	-73	173	178.8	164.6	0	109.6	S380 G381 I383 S389	K93-S380 PolarHBondContact NZ-O 3.01Å; K93-G381 PolarHBondContact NZ-O 2.78Å; K93-I383 HydrophobicContact CD-CD1 4.33Å; K93-I383 HydrophobicContact CG-CD1 3.55Å; K93-S389 VanDerWaalsContact O-CA 3.27Å; K93-S389 WeakPolarHBondContact O-CA 3.49Å; K93-S389 WeakPolarHBondContact O-CB 3.25Å
94	Q	76.7	Confident	65.7	Low	140 Å²	140	87.2 Å²	87.2	65%	0.654	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-100.6	118	169.7	-66.2	-177.5	-13.1	0	0	108	C92	C92-Q94 PolarHBondContact O-N 3.38Å
95	T	69.5	Low	65.6	Low	24 Å²	24	82.5 Å²	82.5	15%	0.147	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-74.4	153.5	176	56.6	0	0	0	0	111.6	E203	T95-E203 HydrophobicContact CG2-CB 4.2Å; T95-E203 HydrophobicContact CG2-CG 4.36Å; T95-E203 WeakPolarHBondContact CG2-OE2 3.36Å; T95-E203 PolarHBondContact OG1-OE1 2.86Å
96	T	65.7	Low	65.5	Low	23 Å²	23	84.9 Å²	84.9	14%	0.141	41%	0.413	C	S	.	.	S	Bend	trans	-90.5	-5.8	172.9	68.4	0	0	0	0	112.5	F98 K99 D200 Q201	T96-F98 PolarHBondContact O-N 2.95Å; T96-F98 VanDerWaalsContact O-N 3.13Å; T96-K99 HydrophobicContact CG2-CD 3.66Å; T96-K99 HydrophobicContact CG2-CG 4.48Å; T96-K99 WeakPolarHBondContact O-CB 3.29Å; T96-K99 PolarHBondContact O-N 3.41Å; T96-D200 WeakPolarHBondContact CG2-OD2 3.42Å; T96-D200 PolarHBondContact N-O 3.49Å; T96-D200 VanDerWaalsContact N-O 3.1Å; T96-D200 VanDerWaalsContact OG1-CG 3.28Å; T96-D200 PolarHBondContact OG1-O 2.99Å; T96-D200 PolarHBondContact OG1-OD2 3.25Å; T96-Q201 WeakPolarHBondContact OG1-CG 3.47Å
97	L	63.2	Low	65	Low	16 Å²	16	79.7 Å²	79.7	8%	0.084	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-41.2	179.5	-179.2	52.1	0	0	0	112.1	V140 C179 P181 Q201 E203	L97-V140 HydrophobicContact CD1-CG2 4.29Å; L97-C179 HydrophobicContact CD2-CB 4.19Å; L97-C179 WeakPolarHBondContact CD2-O 3.02Å; L97-P181 HydrophobicContact CD1-CG 3.73Å; L97-Q201 HydrophobicContact CB-CB 4.27Å; L97-Q201 WeakPolarHBondContact CB-O 3.29Å; L97-Q201 HydrophobicContact CD1-CB 4.25Å; L97-Q201 VanDerWaalsContact CD1-O 3.24Å; L97-Q201 WeakPolarHBondContact CD1-O 3.28Å; L97-Q201 WeakPolarHBondContact CD2-O 3.24Å; L97-Q201 WeakPolarHBondContact CG-O 3.43Å; L97-E203 HydrophobicContact CD2-CB 3.96Å
98	F	57.6	Low	64.2	Low	13 Å²	13	79.5 Å²	79.5	6%	0.057	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	23.1	177.6	-59.1	-80.5	0	0	0	113.7	T96 L100 I110 Y113 L135 V140	T96-F98 PolarHBondContact O-N 2.95Å; T96-F98 VanDerWaalsContact O-N 3.13Å; F98-L100 PolarHBondContact O-N 3.03Å; F98-I110 HydrophobicContact CD2-CB 4.17Å; F98-I110 HydrophobicContact CD2-CG1 4.27Å; F98-I110 HydrophobicContact CE2-CB 3.96Å; F98-I110 HydrophobicContact CE2-CD1 3.61Å; F98-I110 HydrophobicContact CE2-CG1 3.56Å; F98-I110 HydrophobicContact CZ-CD1 4.22Å; F98-I110 HydrophobicContact CZ-CG1 4.12Å; F98-Y113 HydrophobicContact CB-CD2 4.28Å; F98-Y113 HydrophobicContact CB-CE2 3.74Å; F98-Y113 AromaticContact CD1-CD2 3.56Å; F98-Y113 HydrophobicContact CD1-CD2 3.56Å; F98-Y113 AromaticContact CD1-CE2 3.55Å; F98-Y113 HydrophobicContact CD1-CE2 3.55Å; F98-Y113 HydrophobicContact CD1-CG 4.14Å; F98-Y113 HydrophobicContact CD2-CD2 4.33Å; F98-Y113 AromaticContact CE1-CD2 3.91Å; F98-Y113 HydrophobicContact CE1-CD2 3.91Å; F98-Y113 HydrophobicContact CE1-CE2 4.33Å; F98-Y113 HydrophobicContact CE1-CG 4.11Å; F98-Y113 AromaticContact CG-CD2 3.8Å; F98-Y113 HydrophobicContact CG-CD2 3.8Å; F98-Y113 AromaticContact CG-CE2 3.72Å; F98-Y113 HydrophobicContact CG-CE2 3.72Å; F98-Y113 HydrophobicContact CZ-CD2 4.44Å; F98-L135 HydrophobicContact CD1-CD2 4.18Å; F98-V140 HydrophobicContact CE1-CG2 4.33Å; F98-V140 HydrophobicContact CZ-CG1 4.45Å
99	K	52.7	Low	63.3	Low	106 Å²	106	75.9 Å²	75.9	46%	0.461	38%	0.378	S	S	.	.			trans	-70.7	52.6	164	-82.1	-176.4	-175.4	174.6	0	110.7	T96 Y101	T96-K99 HydrophobicContact CG2-CD 3.66Å; T96-K99 HydrophobicContact CG2-CG 4.48Å; T96-K99 WeakPolarHBondContact O-CB 3.29Å; T96-K99 PolarHBondContact O-N 3.41Å; K99-Y101 PolarHBondContact O-N 3.46Å
100	L	47.7	Very low	62.3	Low	83 Å²	83	73.2 Å²	73.2	44%	0.435	36%	0.364	S	S	.	.			trans	-82.6	112.1	159.9	-79.5	160	0	0	0	106.2	F98 N102 L135	F98-L100 PolarHBondContact O-N 3.03Å; L100-N102 PolarHBondContact O-N 3.12Å; L100-L135 HydrophobicContact CD1-CD2 3.23Å; L100-L135 HydrophobicContact CD1-CG 3.6Å
101	Y	42.1	Very low	61.2	Low	170 Å²	170	75.1 Å²	75.1	67%	0.667	37%	0.371	S	S	*	.			trans	-55.1	109.3	173.5	-66.3	-82.6	0	0	0	108.5	K99 N105	K99-Y101 PolarHBondContact O-N 3.46Å; Y101-N105 WeakPolarHBondContact CD1-OD1 3.39Å
102	N	44.1	Very low	60	Low	38 Å²	38	70.5 Å²	70.5	20%	0.203	35%	0.354	C	S	.	.			trans	-61	154.6	149	-158.7	-8.8	0	0	0	107.7	L100 S104 N105 L133	L100-N102 PolarHBondContact O-N 3.12Å; N102-S104 PolarHBondContact O-N 3.22Å; N102-N105 PolarHBondContact O-N 3.33Å; N102-L133 HydrophobicContact CB-CD1 3.62Å; N102-L133 WeakPolarHBondContact OD1-CD1 3.26Å
103	L	45.5	Very low	59.2	Low	149 Å²	149	70.3 Å²	70.3	78%	0.78	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-19.4	175.7	-79.9	155.5	0	0	0	112.6
104	S	46.9	Very low	59.1	Low	62 Å²	62	66.8 Å²	66.8	43%	0.434	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	9	176.8	70.9	0	0	0	0	116	N102 H106	N102-S104 PolarHBondContact O-N 3.22Å; S104-H106 VanDerWaalsContact C-N 3.25Å; S104-H106 PolarHBondContact O-N 3.09Å; S104-H106 PolarHBondContact OG-CD2 3.03Å
105	N	48.6	Very low	59.5	Low	118 Å²	118	61.9 Å²	61.9	63%	0.631	32%	0.318	S	S	*	.			trans	56.9	25.1	-179.1	-73.6	-14.9	0	0	0	115.9	Y101 N102	Y101-N105 WeakPolarHBondContact CD1-OD1 3.39Å; N102-N105 PolarHBondContact O-N 3.33Å
106	H	51.1	Low	60.3	Low	133 Å²	133	61.7 Å²	61.7	62%	0.616	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-86.4	131.8	176.4	-77	-44.9	0	0	0	112.7	S104	S104-H106 VanDerWaalsContact C-N 3.25Å; S104-H106 PolarHBondContact O-N 3.09Å; S104-H106 PolarHBondContact OG-CD2 3.03Å
107	I	52.8	Low	61.4	Low	87 Å²	87	65 Å²	65	45%	0.446	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-76.3	126.2	170.9	-59.6	170.7	0	0	0	108
108	I	56.4	Low	62.4	Low	37 Å²	37	67 Å²	67	19%	0.19	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-98.1	137.3	179.7	-59	168.9	0	0	0	108.8	D112 Y113	I108-D112 HydrophobicContact CG2-CB 3.58Å; I108-D112 VanDerWaalsContact CG2-OD2 3.31Å; I108-D112 WeakPolarHBondContact CG2-OD2 3.25Å; I108-Y113 HydrophobicContact CB-CE2 3.66Å; I108-Y113 WeakPolarHBondContact CB-OH 3.37Å; I108-Y113 WeakPolarHBondContact CD1-OH 2.94Å; I108-Y113 HydrophobicContact CG2-CD2 4.02Å; I108-Y113 HydrophobicContact CG2-CE1 4.39Å; I108-Y113 HydrophobicContact CG2-CE2 3.23Å; I108-Y113 VanDerWaalsContact CG2-CZ 3.47Å
109	S	65.5	Low	63.8	Low	57 Å²	57	66.4 Å²	66.4	40%	0.399	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-74.4	147.6	178.9	-176.3	0	0	0	0	110.2	H111 D112 Y113	S109-H111 PolarHBondContact O-N 3.44Å; S109-H111 VanDerWaalsContact O-N 3.08Å; S109-H111 PolarHBondContact OG-N 3.22Å; S109-D112 PolarHBondContact N-OD2 3.41Å; S109-D112 VanDerWaalsContact N-OD2 3.09Å; S109-D112 WeakPolarHBondContact O-CB 3.44Å; S109-D112 PolarHBondContact O-N 2.98Å; S109-Y113 WeakPolarHBondContact O-CD2 3.45Å
110	I	67.1	Low	65.5	Low	3 Å²	3	66.1 Å²	66.1	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-56.1	-25.5	170.6	-168.2	165.4	0	0	0	112.4	F98 D112 Y113 L114 C179 E203 L205	F98-I110 HydrophobicContact CD2-CB 4.17Å; F98-I110 HydrophobicContact CD2-CG1 4.27Å; F98-I110 HydrophobicContact CE2-CB 3.96Å; F98-I110 HydrophobicContact CE2-CD1 3.61Å; F98-I110 HydrophobicContact CE2-CG1 3.56Å; F98-I110 HydrophobicContact CZ-CD1 4.22Å; F98-I110 HydrophobicContact CZ-CG1 4.12Å; I110-D112 VanDerWaalsContact C-N 3.28Å; I110-D112 PolarHBondContact O-N 3.26Å; I110-Y113 CarbonylContact O-C 3.49Å; I110-Y113 WeakPolarHBondContact O-CA 3.41Å; I110-Y113 WeakPolarHBondContact O-CB 3.29Å; I110-Y113 PolarHBondContact O-N 3.1Å; I110-L114 HydrophobicContact CD1-CD1 3.59Å; I110-L114 HydrophobicContact CD1-CG 4.41Å; I110-L114 HydrophobicContact CG1-CB 4.35Å; I110-L114 HydrophobicContact CG1-CD1 3.78Å; I110-L114 HydrophobicContact CG1-CG 4.06Å; I110-L114 PolarHBondContact O-N 3.01Å; I110-C179 HydrophobicContact CD1-CB 4.23Å; I110-E203 HydrophobicContact CB-CG 4.15Å; I110-E203 HydrophobicContact CD1-CB 3.69Å; I110-E203 HydrophobicContact CD1-CG 3.32Å; I110-E203 HydrophobicContact CG1-CG 4.28Å; I110-E203 HydrophobicContact CG2-CG 3.94Å; I110-L205 HydrophobicContact CD1-CD1 3.84Å; I110-L205 HydrophobicContact CD1-CD2 4.45Å; I110-L205 HydrophobicContact CD1-CG 4.21Å; I110-L205 HydrophobicContact CG1-CD1 4.17Å; I110-L205 HydrophobicContact CG2-CD1 4.34Å; I110-L205 HydrophobicContact CG2-CD2 3.64Å; I110-L205 HydrophobicContact CG2-CG 4.49Å
111	H	66.6	Low	67.4	Low	59 Å²	59	62.1 Å²	62.1	27%	0.273	31%	0.314	S	S	.	.	H	α-helix	trans	-68.4	-25.2	176.1	-69.4	-52	0	0	0	114.9	S109 Y113 R390	S109-H111 PolarHBondContact O-N 3.44Å; S109-H111 VanDerWaalsContact O-N 3.08Å; S109-H111 PolarHBondContact OG-N 3.22Å; H111-Y113 PolarHBondContact O-N 3.5Å; H111-R390 WeakPolarHBondContact CE1-CD 3.44Å; H111-R390 PolarHBondContact CE1-NE 3.19Å; H111-R390 PolarHBondContact CE1-NH2 3.32Å; H111-R390 WeakPolarHBondContact NE2-CD 3.42Å; H111-R390 WeakPolarHBondContact NE2-CG 3.1Å; H111-R390 PolarHBondContact NE2-NE 3.32Å
112	D	67.6	Low	69.6	Low	68 Å²	68	56 Å²	56	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-69.2	-26	172.2	-56.9	-43	0	0	0	109.4	I108 S109 I110 H124 Y126	I108-D112 HydrophobicContact CG2-CB 3.58Å; I108-D112 VanDerWaalsContact CG2-OD2 3.31Å; I108-D112 WeakPolarHBondContact CG2-OD2 3.25Å; S109-D112 PolarHBondContact N-OD2 3.41Å; S109-D112 VanDerWaalsContact N-OD2 3.09Å; S109-D112 WeakPolarHBondContact O-CB 3.44Å; S109-D112 PolarHBondContact O-N 2.98Å; I110-D112 VanDerWaalsContact C-N 3.28Å; I110-D112 PolarHBondContact O-N 3.26Å; D112-H124 VanDerWaalsContact O-CB 3.3Å; D112-H124 WeakPolarHBondContact O-CB 2.99Å; D112-Y126 HydrophobicContact CB-CE2 3.98Å; D112-Y126 WeakPolarHBondContact O-CE2 3.43Å
113	Y	72.4	Confident	71.4	Confident	10 Å²	10	56.1 Å²	56.1	4%	0.039	30%	0.295	C	S	.	.	H	α-helix	trans	-97.4	-38.2	-178.3	-62.8	-67	0	0	0	114.9	F98 I108 S109 I110 H111 I123 H124 Y126 L135	F98-Y113 HydrophobicContact CB-CD2 4.28Å; F98-Y113 HydrophobicContact CB-CE2 3.74Å; F98-Y113 AromaticContact CD1-CD2 3.56Å; F98-Y113 HydrophobicContact CD1-CD2 3.56Å; F98-Y113 AromaticContact CD1-CE2 3.55Å; F98-Y113 HydrophobicContact CD1-CE2 3.55Å; F98-Y113 HydrophobicContact CD1-CG 4.14Å; F98-Y113 HydrophobicContact CD2-CD2 4.33Å; F98-Y113 AromaticContact CE1-CD2 3.91Å; F98-Y113 HydrophobicContact CE1-CD2 3.91Å; F98-Y113 HydrophobicContact CE1-CE2 4.33Å; F98-Y113 HydrophobicContact CE1-CG 4.11Å; F98-Y113 AromaticContact CG-CD2 3.8Å; F98-Y113 HydrophobicContact CG-CD2 3.8Å; F98-Y113 AromaticContact CG-CE2 3.72Å; F98-Y113 HydrophobicContact CG-CE2 3.72Å; F98-Y113 HydrophobicContact CZ-CD2 4.44Å; I108-Y113 HydrophobicContact CB-CE2 3.66Å; I108-Y113 WeakPolarHBondContact CB-OH 3.37Å; I108-Y113 WeakPolarHBondContact CD1-OH 2.94Å; I108-Y113 HydrophobicContact CG2-CD2 4.02Å; I108-Y113 HydrophobicContact CG2-CE1 4.39Å; I108-Y113 HydrophobicContact CG2-CE2 3.23Å; I108-Y113 VanDerWaalsContact CG2-CZ 3.47Å; S109-Y113 WeakPolarHBondContact O-CD2 3.45Å; I110-Y113 CarbonylContact O-C 3.49Å; I110-Y113 WeakPolarHBondContact O-CA 3.41Å; I110-Y113 WeakPolarHBondContact O-CB 3.29Å; I110-Y113 PolarHBondContact O-N 3.1Å; H111-Y113 PolarHBondContact O-N 3.5Å; Y113-I123 CarbonylContact O-C 3.54Å; Y113-I123 VanDerWaalsContact O-CA 3.3Å; Y113-I123 WeakPolarHBondContact O-CA 3.18Å; Y113-H124 PolarHBondContact O-N 3.22Å; Y113-Y126 HydrophobicContact CD1-CD2 4.46Å; Y113-Y126 HydrophobicContact CE1-CD2 4.23Å; Y113-L135 HydrophobicContact CD1-CD1 4.28Å; Y113-L135 HydrophobicContact CE1-CD1 3.29Å; Y113-L135 HydrophobicContact CE1-CD2 4.16Å; Y113-L135 HydrophobicContact CE1-CG 4.36Å; Y113-L135 WeakPolarHBondContact OH-CD1 3.24Å
114	L	81.4	Confident	72.9	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.8	-176.1	-57.3	178.9	0	0	0	109.2	I110 L121 T122 I123 C179 L205	I110-L114 HydrophobicContact CD1-CD1 3.59Å; I110-L114 HydrophobicContact CD1-CG 4.41Å; I110-L114 HydrophobicContact CG1-CB 4.35Å; I110-L114 HydrophobicContact CG1-CD1 3.78Å; I110-L114 HydrophobicContact CG1-CG 4.06Å; I110-L114 PolarHBondContact O-N 3.01Å; L114-L121 HydrophobicContact CB-CD1 4.19Å; L114-L121 HydrophobicContact CD2-CD1 3.85Å; L114-L121 HydrophobicContact CG-CD1 4.47Å; L114-T122 WeakPolarHBondContact CA-O 3.41Å; L114-I123 HydrophobicContact CD2-CB 4.2Å; L114-I123 HydrophobicContact CD2-CD1 4.33Å; L114-I123 HydrophobicContact CD2-CG1 3.67Å; L114-I123 HydrophobicContact CD2-CG2 4.11Å; L114-C179 HydrophobicContact CD1-CB 4.39Å; L114-C179 WeakPolarHBondContact CD1-SG 2.99Å; L114-L205 HydrophobicContact CB-CD1 4.35Å; L114-L205 HydrophobicContact CD1-CD1 4.1Å
115	S	85.6	Confident	74	Confident	37 Å²	37	55 Å²	55	26%	0.259	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.5	168	64.4	0	0	0	0	110	T122 H124	S115-T122 PolarHBondContact N-O 3.43Å; S115-T122 PolarHBondContact O-N 3.11Å; S115-H124 PolarHBondContact OG-NE2 3.09Å
116	F	86.6	Confident	74.5	Confident	20 Å²	20	55.8 Å²	55.8	9%	0.088	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.5	167.9	-70.4	-91	0	0	0	108.4	K120 L121 F175 V177 L205 I207	F116-K120 WeakPolarHBondContact CA-O 3.45Å; F116-L121 HydrophobicContact CD1-CB 4.2Å; F116-L121 HydrophobicContact CD1-CD1 4.48Å; F116-L121 HydrophobicContact CD2-CD1 4.42Å; F116-L121 HydrophobicContact CE1-CB 3.59Å; F116-L121 HydrophobicContact CE1-CD1 3.77Å; F116-L121 HydrophobicContact CE1-CG 4.17Å; F116-L121 HydrophobicContact CE2-CD1 3.68Å; F116-L121 HydrophobicContact CZ-CB 4.02Å; F116-L121 HydrophobicContact CZ-CD1 3.28Å; F116-L121 HydrophobicContact CZ-CD2 4.46Å; F116-L121 HydrophobicContact CZ-CG 4.08Å; F116-F175 AromaticContact CD1-CE2 3.82Å; F116-F175 HydrophobicContact CD1-CE2 3.82Å; F116-F175 AromaticContact CD1-CZ 3.68Å; F116-F175 HydrophobicContact CD1-CZ 3.68Å; F116-F175 AromaticContact CE1-CE2 3.56Å; F116-F175 HydrophobicContact CE1-CE2 3.56Å; F116-F175 AromaticContact CE1-CZ 3.9Å; F116-F175 HydrophobicContact CE1-CZ 3.9Å; F116-F175 HydrophobicContact CG-CZ 4.46Å; F116-F175 HydrophobicContact CZ-CE2 4.2Å; F116-V177 HydrophobicContact CE1-CG2 4.06Å; F116-V177 HydrophobicContact CE2-CG2 4.23Å; F116-V177 HydrophobicContact CZ-CB 4.18Å; F116-V177 HydrophobicContact CZ-CG1 4.27Å; F116-V177 HydrophobicContact CZ-CG2 3.53Å; F116-L205 HydrophobicContact CE2-CD1 4.35Å; F116-I207 HydrophobicContact CB-CD1 3.9Å; F116-I207 HydrophobicContact CB-CG1 4.26Å; F116-I207 HydrophobicContact CB-CG2 4.37Å; F116-I207 HydrophobicContact CD1-CG1 4.23Å; F116-I207 HydrophobicContact CD2-CD1 3.43Å; F116-I207 VanDerWaalsContact CD2-CD1 3.43Å; F116-I207 HydrophobicContact CD2-CG1 3.84Å; F116-I207 HydrophobicContact CE2-CD1 4.14Å; F116-I207 HydrophobicContact CE2-CG1 4.29Å; F116-I207 HydrophobicContact CG-CD1 3.7Å; F116-I207 HydrophobicContact CG-CG1 3.82Å
117	H	87.3	Confident	74.4	Confident	94 Å²	94	57.1 Å²	57.1	44%	0.435	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	117.8	176.4	-176.1	-97.1	0	0	0	108.6	G119 K120 E405	H117-G119 PolarHBondContact O-N 3.3Å; H117-G119 VanDerWaalsContact O-N 3.14Å; H117-K120 PolarHBondContact N-O 3.48Å; H117-K120 VanDerWaalsContact O-CB 3.29Å; H117-K120 WeakPolarHBondContact O-CB 3.31Å; H117-K120 PolarHBondContact O-N 2.97Å; H117-E405 IonicContact CD2-OE2 3.35Å; H117-E405 PolarHBondContact CD2-OE2 3.05Å; H117-E405 IonicContact CE1-OE2 3.73Å; H117-E405 IonicContact NE2-OE1 2.99Å; H117-E405 IonicContact NE2-OE2 2.93Å; H117-E405 PolarHBondContact NE2-OE2 3.11Å
118	L	85.9	Confident	74.1	Confident	58 Å²	58	58.8 Å²	58.8	30%	0.304	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	33.2	-174.6	-64.2	174	0	0	0	112.9	K120 Q169 E402 E405 T406	L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 PolarHBondContact O-N 3.04Å; L118-Q169 PolarHBondContact O-NE2 2.97Å; L118-E402 PolarHBondContact N-OE1 3.23Å; L118-E405 HydrophobicContact CD2-CB 3.75Å; L118-T406 WeakPolarHBondContact CD2-OG1 3.08Å
119	G	85.1	Confident	73.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	-1.6	-176.3	0	0	0	0	0	116.5	H117 Q169 S170 Y211 E402	H117-G119 PolarHBondContact O-N 3.3Å; H117-G119 VanDerWaalsContact O-N 3.14Å; G119-Q169 VanDerWaalsContact C-NE2 3.27Å; G119-S170 PolarHBondContact O-N 2.89Å; G119-Y211 WeakPolarHBondContact CA-OH 3.25Å; G119-E402 PolarHBondContact N-OE1 3.47Å
120	K	89.6	Confident	72.7	Confident	99 Å²	99	65.8 Å²	65.8	43%	0.43	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.4	172.2	-164.4	178	173.2	-176.6	0	109.8	F116 H117 L118 G167 Y168 Q169	F116-K120 WeakPolarHBondContact CA-O 3.45Å; H117-K120 PolarHBondContact N-O 3.48Å; H117-K120 VanDerWaalsContact O-CB 3.29Å; H117-K120 WeakPolarHBondContact O-CB 3.31Å; H117-K120 PolarHBondContact O-N 2.97Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 PolarHBondContact O-N 3.04Å; K120-G167 VanDerWaalsContact CE-CA 3.47Å; K120-Y168 WeakPolarHBondContact CA-O 3.41Å; K120-Q169 VanDerWaalsContact CB-OE1 3.25Å
121	L	87.7	Confident	71.4	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131	166.6	174.7	60	0	0	0	109.4	L114 F116 I123 I164 G167 Y168	L114-L121 HydrophobicContact CB-CD1 4.19Å; L114-L121 HydrophobicContact CD2-CD1 3.85Å; L114-L121 HydrophobicContact CG-CD1 4.47Å; F116-L121 HydrophobicContact CD1-CB 4.2Å; F116-L121 HydrophobicContact CD1-CD1 4.48Å; F116-L121 HydrophobicContact CD2-CD1 4.42Å; F116-L121 HydrophobicContact CE1-CB 3.59Å; F116-L121 HydrophobicContact CE1-CD1 3.77Å; F116-L121 HydrophobicContact CE1-CG 4.17Å; F116-L121 HydrophobicContact CE2-CD1 3.68Å; F116-L121 HydrophobicContact CZ-CB 4.02Å; F116-L121 HydrophobicContact CZ-CD1 3.28Å; F116-L121 HydrophobicContact CZ-CD2 4.46Å; F116-L121 HydrophobicContact CZ-CG 4.08Å; L121-I123 HydrophobicContact CD1-CG1 4.43Å; L121-I123 HydrophobicContact CD2-CD1 4.35Å; L121-I123 HydrophobicContact CD2-CG1 4.22Å; L121-I123 HydrophobicContact CG-CG1 4.17Å; L121-I164 HydrophobicContact CD2-CD1 3.66Å; L121-I164 HydrophobicContact CD2-CG1 3.72Å; L121-G167 WeakPolarHBondContact O-CA 3.33Å; L121-G167 PolarHBondContact O-N 3.22Å; L121-Y168 PolarHBondContact N-O 2.78Å
122	T	87.9	Confident	70.2	Confident	40 Å²	40	75.1 Å²	75.1	25%	0.245	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.1	167.7	-54	0	0	0	0	109	L114 S115 D166	L114-T122 WeakPolarHBondContact CA-O 3.41Å; S115-T122 PolarHBondContact N-O 3.43Å; S115-T122 PolarHBondContact O-N 3.11Å; T122-D166 VanDerWaalsContact CA-OD1 3.3Å; T122-D166 WeakPolarHBondContact CA-OD1 3.45Å
123	I	80.9	Confident	68.9	Low	41 Å²	41	73.6 Å²	73.6	21%	0.21	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	104.5	175.2	-50.2	-176.1	0	0	0	108.3	Y113 L114 L121 H125 D166	Y113-I123 CarbonylContact O-C 3.54Å; Y113-I123 VanDerWaalsContact O-CA 3.3Å; Y113-I123 WeakPolarHBondContact O-CA 3.18Å; L114-I123 HydrophobicContact CD2-CB 4.2Å; L114-I123 HydrophobicContact CD2-CD1 4.33Å; L114-I123 HydrophobicContact CD2-CG1 3.67Å; L114-I123 HydrophobicContact CD2-CG2 4.11Å; L121-I123 HydrophobicContact CD1-CG1 4.43Å; L121-I123 HydrophobicContact CD2-CD1 4.35Å; L121-I123 HydrophobicContact CD2-CG1 4.22Å; L121-I123 HydrophobicContact CG-CG1 4.17Å; I123-H125 PolarHBondContact O-CE1 3.18Å; I123-H125 PolarHBondContact O-N 3.46Å; I123-H125 PolarHBondContact O-ND1 3.42Å; I123-D166 HydrophobicContact CB-CB 4.04Å; I123-D166 HydrophobicContact CD1-CB 4.06Å; I123-D166 HydrophobicContact CG1-CB 3.93Å; I123-D166 PolarHBondContact N-OD1 3.43Å
124	H	78	Confident	67.5	Low	77 Å²	77	83.6 Å²	83.6	36%	0.356	41%	0.413	S	S	.	.			trans	-74.2	120.4	179.3	-64.2	-76.3	0	0	0	110.7	D112 Y113 S115	D112-H124 VanDerWaalsContact O-CB 3.3Å; D112-H124 WeakPolarHBondContact O-CB 2.99Å; Y113-H124 PolarHBondContact O-N 3.22Å; S115-H124 PolarHBondContact OG-NE2 3.09Å
125	H	69.3	Low	65.8	Low	111 Å²	111	85.3 Å²	85.3	51%	0.514	42%	0.422	S	S	.	.			trans	-97.7	105.8	175.9	-66.2	77.8	0	0	0	109.2	I123 H127 S137	I123-H125 PolarHBondContact O-CE1 3.18Å; I123-H125 PolarHBondContact O-N 3.46Å; I123-H125 PolarHBondContact O-ND1 3.42Å; H125-H127 PolarHBondContact O-N 2.98Å; H125-S137 PolarHBondContact NE2-OG 2.9Å
126	Y	59.2	Low	64.1	Low	135 Å²	135	88.5 Å²	88.5	53%	0.529	44%	0.436	S	S	.	.			trans	-78.5	115.8	174.4	-77.7	-82.6	0	0	0	111	D112 Y113	D112-Y126 HydrophobicContact CB-CE2 3.98Å; D112-Y126 WeakPolarHBondContact O-CE2 3.43Å; Y113-Y126 HydrophobicContact CD1-CD2 4.46Å; Y113-Y126 HydrophobicContact CE1-CD2 4.23Å
127	H	50.6	Low	62.4	Low	160 Å²	160	90.5 Å²	90.5	74%	0.741	45%	0.453	S	S	*	.			trans	-97.1	103.8	161.7	-82.7	-78.2	0	0	0	108.6	H125	H125-H127 PolarHBondContact O-N 2.98Å
128	H	45.8	Very low	61.1	Low	122 Å²	122	88.5 Å²	88.5	57%	0.565	45%	0.449	S	S	*	.			trans	-78	129.9	167.2	-143.7	31.7	0	0	0	109	N130	H128-N130 PolarHBondContact O-N 2.85Å; H128-N130 VanDerWaalsContact O-N 3.15Å
129	S	46.8	Very low	60.3	Low	116 Å²	116	89.6 Å²	89.6	81%	0.811	46%	0.455	S	S	*	.	S	Bend	trans	-68.3	-7.5	-174.4	52.6	0	0	0	0	114.3
130	N	45.6	Very low	60	Low	125 Å²	125	91.4 Å²	91.4	67%	0.668	47%	0.466	S	S	*	.	S	Bend	trans	-104.7	119.9	164.7	-73.7	-14.9	0	0	0	108.2	H128	H128-N130 PolarHBondContact O-N 2.85Å; H128-N130 VanDerWaalsContact O-N 3.15Å
131	N	40.3	Very low	59.8	Low	149 Å²	149	87.1 Å²	87.1	80%	0.797	45%	0.448	S	S	*	.	S	Bend	trans	-33.6	139.4	179.2	-76.9	-30.9	0	0	0	113.9
132	T	41.2	Very low	59.9	Low	109 Å²	109	87.4 Å²	87.4	67%	0.669	45%	0.45	S	S	*	.			trans	104.6	33.3	164.3	72.4	0	0	0	0	120.8
133	L	40.6	Very low	60.1	Low	36 Å²	36	86 Å²	86	19%	0.188	44%	0.442	C	S	.	.			trans	-132.2	76.4	148.7	-82	177.1	0	0	0	111.1	N102 L135	N102-L133 HydrophobicContact CB-CD1 3.62Å; N102-L133 WeakPolarHBondContact OD1-CD1 3.26Å; L133-L135 PolarHBondContact O-N 3.48Å
134	R	41.4	Very low	60.7	Low	220 Å²	220	84 Å²	84	83%	0.83	43%	0.432	S	S	*	.			trans	-84.7	100	153.1	-77.1	-175.2	178.8	-178.7	-0.4	105.9	N136	R134-N136 PolarHBondContact O-N 2.91Å; R134-N136 VanDerWaalsContact O-N 3.11Å
135	L	47.5	Very low	61.6	Low	43 Å²	43	82.8 Å²	82.8	23%	0.225	43%	0.425	C	S	.	.			trans	-56.6	119.3	151.6	-82.6	118.5	0	0	0	105.9	F98 L100 Y113 L133 S137	F98-L135 HydrophobicContact CD1-CD2 4.18Å; L100-L135 HydrophobicContact CD1-CD2 3.23Å; L100-L135 HydrophobicContact CD1-CG 3.6Å; Y113-L135 HydrophobicContact CD1-CD1 4.28Å; Y113-L135 HydrophobicContact CE1-CD1 3.29Å; Y113-L135 HydrophobicContact CE1-CD2 4.16Å; Y113-L135 HydrophobicContact CE1-CG 4.36Å; Y113-L135 WeakPolarHBondContact OH-CD1 3.24Å; L133-L135 PolarHBondContact O-N 3.48Å; L135-S137 PolarHBondContact O-N 3.22Å
136	N	48.8	Very low	62.9	Low	104 Å²	104	77.6 Å²	77.6	56%	0.556	40%	0.401	S	S	*	.			trans	-69.9	86.8	163.7	-127	-7.4	0	0	0	105	R134 S138 L139	R134-N136 PolarHBondContact O-N 2.91Å; R134-N136 VanDerWaalsContact O-N 3.11Å; N136-S138 WeakPolarHBondContact CB-OG 3.33Å; N136-S138 PolarHBondContact ND2-OG 2.83Å; N136-S138 PolarHBondContact O-N 3.15Å; N136-S138 PolarHBondContact OD1-OG 3.42Å; N136-L139 HydrophobicContact CB-CD1 3.97Å; N136-L139 HydrophobicContact CB-CG 4.01Å; N136-L139 WeakPolarHBondContact O-CB 3.22Å; N136-L139 PolarHBondContact O-N 3.23Å
137	S	51.4	Low	64.6	Low	62 Å²	62	71.5 Å²	71.5	43%	0.434	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-51.3	-22.9	171.3	55.6	0	0	0	0	111	H125 L135 L139 V140	H125-S137 PolarHBondContact NE2-OG 2.9Å; L135-S137 PolarHBondContact O-N 3.22Å; S137-L139 PolarHBondContact O-N 3.07Å; S137-L139 VanDerWaalsContact O-N 3.12Å; S137-V140 PolarHBondContact O-N 3.12Å
138	S	59	Low	66.7	Low	52 Å²	52	69 Å²	69	36%	0.364	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-55.1	-17.2	168	64.5	0	0	0	0	116	N136 K182	N136-S138 WeakPolarHBondContact CB-OG 3.33Å; N136-S138 PolarHBondContact ND2-OG 2.83Å; N136-S138 PolarHBondContact O-N 3.15Å; N136-S138 PolarHBondContact OD1-OG 3.42Å; S138-K182 WeakPolarHBondContact O-CD 3.3Å; S138-K182 WeakPolarHBondContact O-CE 3.24Å; S138-K182 PolarHBondContact O-NZ 2.71Å
139	L	70.7	Confident	68.9	Low	81 Å²	81	64.7 Å²	64.7	42%	0.424	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-96.4	-19	-178.8	-68.5	175.1	0	0	0	114.5	N136 S137 P181 K182	N136-L139 HydrophobicContact CB-CD1 3.97Å; N136-L139 HydrophobicContact CB-CG 4.01Å; N136-L139 WeakPolarHBondContact O-CB 3.22Å; N136-L139 PolarHBondContact O-N 3.23Å; S137-L139 PolarHBondContact O-N 3.07Å; S137-L139 VanDerWaalsContact O-N 3.12Å; L139-P181 CarbonylContact O-C 3.58Å; L139-P181 WeakPolarHBondContact O-CA 3.44Å; L139-K182 PolarHBondContact O-N 3.07Å
140	V	78.5	Confident	71	Confident	37 Å²	37	62.9 Å²	62.9	22%	0.224	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	146.6	177.1	179.4	0	0	0	0	108.6	L97 F98 S137 C179 Q180	L97-V140 HydrophobicContact CD1-CG2 4.29Å; F98-V140 HydrophobicContact CE1-CG2 4.33Å; F98-V140 HydrophobicContact CZ-CG1 4.45Å; S137-V140 PolarHBondContact O-N 3.12Å; V140-C179 HydrophobicContact CG1-CB 4.21Å; V140-Q180 WeakPolarHBondContact CA-O 3.35Å
141	T	85	Confident	73.2	Confident	9 Å²	9	57.3 Å²	57.3	6%	0.055	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.6	171.9	-179.6	0	0	0	0	108.9	C179 Q180 K182 I185	T141-C179 WeakPolarHBondContact O-CA 3.44Å; T141-Q180 HydrophobicContact CG2-CG 4.26Å; T141-Q180 PolarHBondContact N-O 3.38Å; T141-Q180 PolarHBondContact O-N 2.81Å; T141-K182 HydrophobicContact CG2-CG 3.87Å; T141-I185 HydrophobicContact CG2-CD1 3.41Å; T141-I185 VanDerWaalsContact CG2-CD1 3.41Å; T141-I185 HydrophobicContact CG2-CG1 4.14Å
142	C	88.9	Confident	75.7	Confident	6 Å²	6	50.3 Å²	50.3	4%	0.041	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.5	178.2	-62.9	0	0	0	0	109.8	Q163 I164 V177 I178 C179	C142-Q163 CarbonylContact O-C 3.57Å; C142-Q163 VanDerWaalsContact O-CA 3.24Å; C142-Q163 WeakPolarHBondContact O-CA 3.47Å; C142-Q163 PolarHBondContact O-N 2.98Å; C142-Q163 VanDerWaalsContact O-N 3.16Å; C142-I164 HydrophobicContact CB-CD1 4.14Å; C142-I164 HydrophobicContact CB-CG1 3.8Å; C142-I164 PolarHBondContact O-N 3.23Å; C142-V177 HydrophobicContact CB-CG1 4.01Å; C142-I178 CarbonylContact C-O 3.53Å; C142-I178 WeakPolarHBondContact CA-O 3.03Å; C142-C179 HydrophobicContact CB-CB 4.24Å; C142-C179 WeakPolarHBondContact CB-SG 3.26Å; C142-C179 WeakPolarHBondContact SG-CB 3.48Å; C142-C179 CovalentContact SG-SG 2.05Å; C142-C179 PolarHBondContact SG-SG 3.08Å
143	S	93.1	Very high	78.1	Confident	11 Å²	11	49.1 Å²	49.1	8%	0.077	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140	175.9	-61.1	0	0	0	0	109.5	I161 V177 I178	S143-I161 WeakPolarHBondContact CA-O 3.45Å; S143-V177 WeakPolarHBondContact O-CA 3.49Å; S143-I178 PolarHBondContact N-O 3.3Å; S143-I178 PolarHBondContact O-N 3.07Å
144	L	94.1	Very high	80.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.3	-176.6	-173	149.3	0	0	0	110.8	P146 V160 I161 I164 Y168 F175 V177	L144-P146 HydrophobicContact CD2-CB 4.49Å; L144-P146 HydrophobicContact CD2-CG 3.74Å; L144-V160 CarbonylContact O-C 3.56Å; L144-V160 WeakPolarHBondContact O-CA 3.43Å; L144-I161 HydrophobicContact CB-CB 4.29Å; L144-I161 HydrophobicContact CD2-CD1 4.19Å; L144-I161 PolarHBondContact N-O 3.45Å; L144-I161 PolarHBondContact O-N 3.45Å; L144-I164 HydrophobicContact CB-CD1 4.07Å; L144-I164 HydrophobicContact CB-CG2 4.06Å; L144-Y168 HydrophobicContact CD1-CD1 4.46Å; L144-Y168 HydrophobicContact CD1-CE1 4Å; L144-F175 HydrophobicContact CD1-CB 4.32Å; L144-F175 HydrophobicContact CD1-CD1 4.49Å; L144-F175 HydrophobicContact CD1-CD2 3.29Å; L144-F175 HydrophobicContact CD1-CE2 3.6Å; L144-F175 HydrophobicContact CD1-CG 3.78Å; L144-F175 HydrophobicContact CD1-CZ 4.36Å; L144-F175 HydrophobicContact CD2-CB 3.79Å; L144-F175 HydrophobicContact CD2-CD2 4.29Å; L144-F175 HydrophobicContact CD2-CG 4.13Å; L144-F175 HydrophobicContact CG-CB 3.93Å; L144-F175 HydrophobicContact CG-CD2 3.57Å; L144-F175 HydrophobicContact CG-CE2 4.34Å; L144-F175 HydrophobicContact CG-CG 3.91Å; L144-V177 HydrophobicContact CD1-CG2 4.4Å; L144-V177 HydrophobicContact CG-CG2 4.43Å
145	F	96.3	Very high	83.1	Confident	50 Å²	50	40.1 Å²	40.1	22%	0.219	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	100.6	178.7	-64.7	-99.2	0	0	0	108.5	I147 Y157 V160 F175 M176 I178	F145-I147 PolarHBondContact O-N 3.15Å; F145-Y157 HydrophobicContact CB-CD1 3.69Å; F145-Y157 HydrophobicContact CB-CE1 4.27Å; F145-Y157 HydrophobicContact CB-CG 4.27Å; F145-V160 HydrophobicContact CD1-CB 4.01Å; F145-V160 HydrophobicContact CD1-CG2 4.05Å; F145-V160 HydrophobicContact CD2-CG2 4.21Å; F145-V160 HydrophobicContact CE1-CB 3.73Å; F145-V160 HydrophobicContact CE1-CG2 3.63Å; F145-V160 HydrophobicContact CE2-CG2 3.79Å; F145-V160 HydrophobicContact CG-CG2 4.33Å; F145-V160 HydrophobicContact CZ-CB 4.12Å; F145-V160 HydrophobicContact CZ-CG2 3.49Å; F145-V160 VanDerWaalsContact CZ-CG2 3.49Å; F145-F175 VanDerWaalsContact O-CA 3.3Å; F145-F175 WeakPolarHBondContact O-CA 3.34Å; F145-F175 WeakPolarHBondContact O-CB 3.24Å; F145-M176 HydrophobicContact CB-CB 4.35Å; F145-M176 HydrophobicContact CB-CE 4.04Å; F145-M176 HydrophobicContact CD2-CE 3.92Å; F145-M176 HydrophobicContact CG-CE 3.92Å; F145-M176 PolarHBondContact N-O 3.48Å; F145-M176 PolarHBondContact O-N 3.49Å; F145-I178 HydrophobicContact CD2-CD1 4.12Å; F145-I178 HydrophobicContact CD2-CG1 3.93Å; F145-I178 HydrophobicContact CE2-CB 4Å; F145-I178 HydrophobicContact CE2-CD1 3.56Å; F145-I178 HydrophobicContact CE2-CG1 3.64Å; F145-I178 HydrophobicContact CZ-CD1 3.98Å
146	P	95.8	Very high	85.4	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	137.4	179.1	-19.6	31.8	0	0	0	111.4	L144 Y157 L158 N159 W172	L144-P146 HydrophobicContact CD2-CB 4.49Å; L144-P146 HydrophobicContact CD2-CG 3.74Å; P146-Y157 CarbonylContact O-C 3.24Å; P146-Y157 VanDerWaalsContact O-CA 3.31Å; P146-Y157 WeakPolarHBondContact O-CA 3.39Å; P146-L158 HydrophobicContact CB-CB 4.04Å; P146-L158 HydrophobicContact CB-CD1 4.21Å; P146-L158 HydrophobicContact CB-CG 4.36Å; P146-L158 HydrophobicContact CG-CB 4.3Å; P146-L158 PolarHBondContact O-N 3.48Å; P146-N159 VanDerWaalsContact CD-O 3.31Å; P146-N159 WeakPolarHBondContact CD-O 3.23Å; P146-W172 HydrophobicContact CB-CB 4.06Å; P146-W172 HydrophobicContact CB-CD2 3.66Å; P146-W172 HydrophobicContact CB-CE3 4.31Å; P146-W172 HydrophobicContact CB-CG 3.52Å; P146-W172 HydrophobicContact CG-CD2 4.33Å; P146-W172 HydrophobicContact CG-CG 4.02Å
147	I	96.2	Very high	87.7	Confident	7 Å²	7	39 Å²	39	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.5	-179.7	-64.4	163.4	0	0	0	109.3	F145 Y157 M174 M176 F206 A372	F145-I147 PolarHBondContact O-N 3.15Å; I147-Y157 HydrophobicContact CD1-CE1 4.1Å; I147-Y157 HydrophobicContact CG1-CD1 3.8Å; I147-Y157 HydrophobicContact CG1-CE1 3.6Å; I147-M174 HydrophobicContact CB-CB 4.23Å; I147-M174 PolarHBondContact N-O 3.08Å; I147-M176 HydrophobicContact CD1-CB 4.43Å; I147-F206 HydrophobicContact CD1-CD1 4.02Å; I147-F206 HydrophobicContact CD1-CE1 4.22Å; I147-A372 HydrophobicContact CD1-CB 3.86Å; I147-A372 HydrophobicContact CG1-CB 4.08Å; I147-A372 HydrophobicContact CG2-CB 3.96Å
148	K	93.2	Very high	89.8	Confident	108 Å²	108	38.1 Å²	38.1	47%	0.47	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.2	175.1	-173.7	178.8	178.3	-174.1	0	110.6	S155 I156 L158	K148-S155 WeakPolarHBondContact O-CA 3.49Å; K148-I156 HydrophobicContact CB-CG1 4.13Å; K148-I156 PolarHBondContact N-O 3.41Å; K148-I156 PolarHBondContact O-N 3.08Å; K148-L158 HydrophobicContact CB-CD1 4.14Å; K148-L158 HydrophobicContact CB-CD2 3.95Å; K148-L158 HydrophobicContact CB-CG 4.03Å; K148-L158 HydrophobicContact CD-CD1 4.38Å; K148-L158 HydrophobicContact CD-CD2 3.91Å
149	R	92.6	Very high	91.5	Very high	31 Å²	31	42.7 Å²	42.7	12%	0.117	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.6	170.1	-170.4	-178.2	-177.3	-138.5	-6.6	109.6	N151 D152 G356 N359 N360 P368	R149-N151 WeakPolarHBondContact CG-O 3.47Å; R149-D152 IonicContact CZ-OD1 3.39Å; R149-D152 IonicContact NE-OD1 2.74Å; R149-D152 IonicContact NH2-OD1 3.25Å; R149-D152 PolarHBondContact NH2-OD1 2.8Å; R149-G356 PolarHBondContact NH1-O 3Å; R149-G356 PolarHBondContact NH2-O 2.83Å; R149-N359 PolarHBondContact NH1-O 2.89Å; R149-N360 WeakPolarHBondContact CD-OD1 3.24Å; R149-N360 PolarHBondContact NH1-OD1 2.99Å; R149-P368 HydrophobicContact CB-CB 3.87Å; R149-P368 HydrophobicContact CB-CG 3.65Å; R149-P368 HydrophobicContact CG-CB 4.24Å; R149-P368 HydrophobicContact CG-CG 3.69Å
150	L	91.8	Very high	92.7	Very high	78 Å²	78	41.3 Å²	41.3	41%	0.408	20%	0.203	S	C	.	.	S	Bend	trans	-91.8	-47.3	165	-70.1	-174.1	0	0	0	110.7	Q154 I156 S357	L150-Q154 HydrophobicContact CB-CB 4.31Å; L150-Q154 PolarHBondContact N-O 3.14Å; L150-I156 HydrophobicContact CD1-CG1 4.48Å; L150-I156 HydrophobicContact CD1-CG2 3.48Å; L150-I156 VanDerWaalsContact CD1-CG2 3.48Å; L150-I156 HydrophobicContact CD2-CD1 3.8Å; L150-I156 HydrophobicContact CD2-CG1 4.06Å; L150-I156 HydrophobicContact CG-CD1 4.28Å; L150-I156 HydrophobicContact CG-CG1 4.06Å; L150-I156 HydrophobicContact CG-CG2 3.92Å; L150-S357 WeakPolarHBondContact O-CB 3.39Å
151	N	91.3	Very high	93.4	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.043	20%	0.204	C	C	.	.	S	Bend	trans	-153	-167.7	174.5	56.7	43.4	0	0	0	108.1	R149 Y153 Q154 Q311	R149-N151 WeakPolarHBondContact CG-O 3.47Å; N151-Y153 PolarHBondContact O-N 2.79Å; N151-Y153 WeakPolarHBondContact OD1-CA 3.13Å; N151-Y153 PolarHBondContact OD1-N 3.39Å; N151-Q154 PolarHBondContact N-O 2.83Å; N151-Q154 PolarHBondContact ND2-OE1 2.71Å; N151-Q154 WeakPolarHBondContact OD1-CB 3.46Å; N151-Q154 PolarHBondContact OD1-N 2.81Å; N151-Q311 WeakPolarHBondContact CB-O 3.35Å; N151-Q311 PolarHBondContact ND2-O 3.48Å
152	D	91.6	Very high	93.7	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.011	23%	0.232	C	C	.	.	S	Bend	trans	-74.3	-7.9	-178.5	-136.3	34.7	0	0	0	115.1	R149 Q349 F355 Y365 R367	R149-D152 IonicContact CZ-OD1 3.39Å; R149-D152 IonicContact NE-OD1 2.74Å; R149-D152 IonicContact NH2-OD1 3.25Å; R149-D152 PolarHBondContact NH2-OD1 2.8Å; D152-Q349 WeakPolarHBondContact OD2-CG 3.49Å; D152-Q349 PolarHBondContact OD2-NE2 2.85Å; D152-F355 WeakPolarHBondContact CB-O 3.3Å; D152-F355 PolarHBondContact OD2-N 3.2Å; D152-Y365 VanDerWaalsContact OD1-CE1 3.22Å; D152-Y365 WeakPolarHBondContact OD1-CE1 3.1Å; D152-Y365 PolarHBondContact OD1-OH 3.5Å; D152-Y365 PolarHBondContact OD2-OH 2.76Å; D152-R367 PolarHBondContact O-NE 3.18Å
153	Y	91.9	Very high	93.6	Very high	85 Å²	85	53 Å²	53	33%	0.333	26%	0.255	S	S	.	.	S	Bend	trans	-118.5	-13.9	-174.9	-60.2	-82.5	0	0	0	113.2	N151 K301 Q349 C353	N151-Y153 PolarHBondContact O-N 2.79Å; N151-Y153 WeakPolarHBondContact OD1-CA 3.13Å; N151-Y153 PolarHBondContact OD1-N 3.39Å; Y153-K301 WeakPolarHBondContact OH-CE 3.25Å; Y153-K301 PolarHBondContact OH-NZ 3.46Å; Y153-Q349 HydrophobicContact CE1-CB 3.84Å; Y153-Q349 HydrophobicContact CE1-CG 4.36Å; Y153-C353 PolarHBondContact OH-O 2.94Å
154	Q	92.8	Very high	93.4	Very high	63 Å²	63	52.9 Å²	52.9	29%	0.294	25%	0.254	S	S	.	.			trans	-135.8	131.7	-172.9	-67.4	171.2	-29	0	0	110.9	L150 N151	L150-Q154 HydrophobicContact CB-CB 4.31Å; L150-Q154 PolarHBondContact N-O 3.14Å; N151-Q154 PolarHBondContact N-O 2.83Å; N151-Q154 PolarHBondContact ND2-OE1 2.71Å; N151-Q154 WeakPolarHBondContact OD1-CB 3.46Å; N151-Q154 PolarHBondContact OD1-N 2.81Å
155	S	95	Very high	93	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.8	167.9	-63.5	0	0	0	0	109.7	K148 P368 Q375	K148-S155 WeakPolarHBondContact O-CA 3.49Å; S155-P368 WeakPolarHBondContact CB-O 3.32Å; S155-P368 VanDerWaalsContact OG-CA 3.23Å; S155-P368 WeakPolarHBondContact OG-CA 3.06Å; S155-P368 WeakPolarHBondContact OG-CB 3.18Å; S155-P368 PolarHBondContact OG-O 3.42Å; S155-Q375 PolarHBondContact O-NE2 3.12Å; S155-Q375 VanDerWaalsContact O-NE2 3.16Å; S155-Q375 PolarHBondContact O-OE1 2.82Å
156	I	95.7	Very high	92.6	Very high	65 Å²	65	60.5 Å²	60.5	33%	0.333	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.2	175.4	58.6	167.1	0	0	0	110.2	K148 L150 L158	K148-I156 HydrophobicContact CB-CG1 4.13Å; K148-I156 PolarHBondContact N-O 3.41Å; K148-I156 PolarHBondContact O-N 3.08Å; L150-I156 HydrophobicContact CD1-CG1 4.48Å; L150-I156 HydrophobicContact CD1-CG2 3.48Å; L150-I156 VanDerWaalsContact CD1-CG2 3.48Å; L150-I156 HydrophobicContact CD2-CD1 3.8Å; L150-I156 HydrophobicContact CD2-CG1 4.06Å; L150-I156 HydrophobicContact CG-CD1 4.28Å; L150-I156 HydrophobicContact CG-CG1 4.06Å; L150-I156 HydrophobicContact CG-CG2 3.92Å; I156-L158 HydrophobicContact CD1-CD2 4.25Å
157	Y	97	Very high	92.2	Very high	58 Å²	58	61.8 Å²	61.8	23%	0.227	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	138.2	166	-60.5	-68.8	0	0	0	110.1	F145 P146 I147 M176 F206 A372 E376	F145-Y157 HydrophobicContact CB-CD1 3.69Å; F145-Y157 HydrophobicContact CB-CE1 4.27Å; F145-Y157 HydrophobicContact CB-CG 4.27Å; P146-Y157 CarbonylContact O-C 3.24Å; P146-Y157 VanDerWaalsContact O-CA 3.31Å; P146-Y157 WeakPolarHBondContact O-CA 3.39Å; I147-Y157 HydrophobicContact CD1-CE1 4.1Å; I147-Y157 HydrophobicContact CG1-CD1 3.8Å; I147-Y157 HydrophobicContact CG1-CE1 3.6Å; Y157-M176 HydrophobicContact CE1-CB 3.89Å; Y157-M176 HydrophobicContact CE1-CE 3.88Å; Y157-M176 HydrophobicContact CE1-SD 4.48Å; Y157-M176 HydrophobicContact CE2-CE 4.37Å; Y157-F206 WeakPolarHBondContact OH-CE1 3.38Å; Y157-A372 HydrophobicContact CE1-CB 4.18Å; Y157-A372 PolarHBondContact OH-O 3.35Å; Y157-E376 HydrophobicContact CE2-CG 4.46Å; Y157-E376 WeakPolarHBondContact CE2-OE1 3.48Å; Y157-E376 VanDerWaalsContact OH-CG 3.26Å; Y157-E376 WeakPolarHBondContact OH-CG 3.44Å
158	L	95.5	Very high	92	Very high	45 Å²	45	64.5 Å²	64.5	24%	0.236	32%	0.32	C	S	.	.			trans	-88.7	-175.8	169.6	-55	-179.5	0	0	0	110.3	P146 K148 I156 V160 W172	P146-L158 HydrophobicContact CB-CB 4.04Å; P146-L158 HydrophobicContact CB-CD1 4.21Å; P146-L158 HydrophobicContact CB-CG 4.36Å; P146-L158 HydrophobicContact CG-CB 4.3Å; P146-L158 PolarHBondContact O-N 3.48Å; K148-L158 HydrophobicContact CB-CD1 4.14Å; K148-L158 HydrophobicContact CB-CD2 3.95Å; K148-L158 HydrophobicContact CB-CG 4.03Å; K148-L158 HydrophobicContact CD-CD1 4.38Å; K148-L158 HydrophobicContact CD-CD2 3.91Å; I156-L158 HydrophobicContact CD1-CD2 4.25Å; L158-V160 PolarHBondContact O-N 2.81Å; L158-W172 HydrophobicContact CD1-CD2 4.36Å; L158-W172 HydrophobicContact CD1-CE3 3.96Å; L158-W172 HydrophobicContact CD1-CH2 3.1Å; L158-W172 HydrophobicContact CD1-CZ2 3.53Å; L158-W172 HydrophobicContact CD1-CZ3 3.33Å
159	N	95.2	Very high	91.8	Very high	147 Å²	147	62.9 Å²	62.9	79%	0.786	31%	0.314	S	S	*	.	S	Bend	trans	-50.6	128.6	177.4	-65.4	-0.4	0	0	0	111	P146	P146-N159 VanDerWaalsContact CD-O 3.31Å; P146-N159 WeakPolarHBondContact CD-O 3.23Å
160	V	95	Very high	91.7	Very high	53 Å²	53	61.6 Å²	61.6	32%	0.321	31%	0.31	S	S	.	.			trans	-63.6	143.2	176.5	61.7	0	0	0	0	110.5	L144 F145 L158 E162	L144-V160 CarbonylContact O-C 3.56Å; L144-V160 WeakPolarHBondContact O-CA 3.43Å; F145-V160 HydrophobicContact CD1-CB 4.01Å; F145-V160 HydrophobicContact CD1-CG2 4.05Å; F145-V160 HydrophobicContact CD2-CG2 4.21Å; F145-V160 HydrophobicContact CE1-CB 3.73Å; F145-V160 HydrophobicContact CE1-CG2 3.63Å; F145-V160 HydrophobicContact CE2-CG2 3.79Å; F145-V160 HydrophobicContact CG-CG2 4.33Å; F145-V160 HydrophobicContact CZ-CB 4.12Å; F145-V160 HydrophobicContact CZ-CG2 3.49Å; F145-V160 VanDerWaalsContact CZ-CG2 3.49Å; L158-V160 PolarHBondContact O-N 2.81Å; V160-E162 HydrophobicContact CG1-CG 3.92Å; V160-E162 HydrophobicContact CG2-CG 4.14Å
161	I	93.7	Very high	91.5	Very high	48 Å²	48	60.5 Å²	60.5	25%	0.246	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-106.2	101.3	167.9	-51.1	-178.8	0	0	0	105.7	S143 L144 I164 Y168	S143-I161 WeakPolarHBondContact CA-O 3.45Å; L144-I161 HydrophobicContact CB-CB 4.29Å; L144-I161 HydrophobicContact CD2-CD1 4.19Å; L144-I161 PolarHBondContact N-O 3.45Å; L144-I161 PolarHBondContact O-N 3.45Å; I161-I164 HydrophobicContact CB-CG2 4.4Å; I161-I164 HydrophobicContact CG2-CG2 3.96Å; I161-Y168 WeakPolarHBondContact CD1-OH 3.46Å; I161-Y168 HydrophobicContact CG2-CE2 4.24Å
162	E	91.4	Very high	91.5	Very high	135 Å²	135	64.5 Å²	64.5	63%	0.631	32%	0.324	S	S	*	.			trans	-76.4	150.6	-175	-60.3	-176.1	177.5	0	0	111.4	V160 I164	V160-E162 HydrophobicContact CG1-CG 3.92Å; V160-E162 HydrophobicContact CG2-CG 4.14Å; E162-I164 PolarHBondContact O-N 3.38Å
163	Q	86.5	Confident	91.5	Very high	114 Å²	114	66.4 Å²	66.4	53%	0.533	34%	0.336	S	S	.	.	S	Bend	trans	50.8	55	171.1	-53.1	-173	-7.2	0	0	113.4	C142 D165	C142-Q163 CarbonylContact O-C 3.57Å; C142-Q163 VanDerWaalsContact O-CA 3.24Å; C142-Q163 WeakPolarHBondContact O-CA 3.47Å; C142-Q163 PolarHBondContact O-N 2.98Å; C142-Q163 VanDerWaalsContact O-N 3.16Å; Q163-D165 PolarHBondContact O-N 2.92Å
164	I	89.1	Confident	91.6	Very high	9 Å²	9	63.6 Å²	63.6	5%	0.046	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-68.4	131.1	174	66.4	-175.9	0	0	0	110	L121 C142 L144 I161 E162 Y168 V177	L121-I164 HydrophobicContact CD2-CD1 3.66Å; L121-I164 HydrophobicContact CD2-CG1 3.72Å; C142-I164 HydrophobicContact CB-CD1 4.14Å; C142-I164 HydrophobicContact CB-CG1 3.8Å; C142-I164 PolarHBondContact O-N 3.23Å; L144-I164 HydrophobicContact CB-CD1 4.07Å; L144-I164 HydrophobicContact CB-CG2 4.06Å; I161-I164 HydrophobicContact CB-CG2 4.4Å; I161-I164 HydrophobicContact CG2-CG2 3.96Å; E162-I164 PolarHBondContact O-N 3.38Å; I164-Y168 HydrophobicContact CB-CD1 4.19Å; I164-Y168 HydrophobicContact CB-CD2 4.42Å; I164-Y168 HydrophobicContact CB-CG 3.97Å; I164-Y168 HydrophobicContact CG2-CD1 4.01Å; I164-Y168 HydrophobicContact CG2-CD2 4.27Å; I164-Y168 HydrophobicContact CG2-CE1 4.18Å; I164-Y168 HydrophobicContact CG2-CE2 4.43Å; I164-Y168 HydrophobicContact CG2-CG 4.07Å; I164-V177 HydrophobicContact CD1-CG1 4.03Å; I164-V177 HydrophobicContact CD1-CG2 4.42Å
165	D	86.3	Confident	91.7	Very high	123 Å²	123	60.6 Å²	60.6	66%	0.658	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-92.9	169	179.1	-67	-45.7	0	0	0	112.4	Q163 G167 Y168	Q163-D165 PolarHBondContact O-N 2.92Å; D165-G167 PolarHBondContact O-N 2.95Å; D165-Y168 WeakPolarHBondContact O-CB 3.42Å; D165-Y168 PolarHBondContact O-N 2.93Å; D165-Y168 VanDerWaalsContact O-N 3.1Å
166	D	87	Confident	91.7	Very high	86 Å²	86	60.6 Å²	60.6	46%	0.46	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	134.4	170.5	-177.3	39.7	0	0	0	111.5	T122 I123 Y168	T122-D166 VanDerWaalsContact CA-OD1 3.3Å; T122-D166 WeakPolarHBondContact CA-OD1 3.45Å; I123-D166 HydrophobicContact CB-CB 4.04Å; I123-D166 HydrophobicContact CD1-CB 4.06Å; I123-D166 HydrophobicContact CG1-CB 3.93Å; I123-D166 PolarHBondContact N-OD1 3.43Å; D166-Y168 VanDerWaalsContact C-N 3.31Å
167	G	88.3	Confident	91.5	Very high	29 Å²	29	57.5 Å²	57.5	30%	0.299	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	-0.9	-176.7	0	0	0	0	0	115.5	K120 L121 D165 Q169	K120-G167 VanDerWaalsContact CE-CA 3.47Å; L121-G167 WeakPolarHBondContact O-CA 3.33Å; L121-G167 PolarHBondContact O-N 3.22Å; D165-G167 PolarHBondContact O-N 2.95Å; G167-Q169 PolarHBondContact O-N 2.94Å
168	Y	90.7	Very high	91.2	Very high	65 Å²	65	55.7 Å²	55.7	26%	0.255	29%	0.29	S	S	.	.			trans	-57	124.8	174.9	-178.8	-91.2	0	0	0	111.3	K120 L121 L144 I161 I164 D165 D166	K120-Y168 WeakPolarHBondContact CA-O 3.41Å; L121-Y168 PolarHBondContact N-O 2.78Å; L144-Y168 HydrophobicContact CD1-CD1 4.46Å; L144-Y168 HydrophobicContact CD1-CE1 4Å; I161-Y168 WeakPolarHBondContact CD1-OH 3.46Å; I161-Y168 HydrophobicContact CG2-CE2 4.24Å; I164-Y168 HydrophobicContact CB-CD1 4.19Å; I164-Y168 HydrophobicContact CB-CD2 4.42Å; I164-Y168 HydrophobicContact CB-CG 3.97Å; I164-Y168 HydrophobicContact CG2-CD1 4.01Å; I164-Y168 HydrophobicContact CG2-CD2 4.27Å; I164-Y168 HydrophobicContact CG2-CE1 4.18Å; I164-Y168 HydrophobicContact CG2-CE2 4.43Å; I164-Y168 HydrophobicContact CG2-CG 4.07Å; D165-Y168 WeakPolarHBondContact O-CB 3.42Å; D165-Y168 PolarHBondContact O-N 2.93Å; D165-Y168 VanDerWaalsContact O-N 3.1Å; D166-Y168 VanDerWaalsContact C-N 3.31Å
169	Q	90.2	Very high	90.8	Very high	73 Å²	73	53.6 Å²	53.6	34%	0.341	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-102.6	112.7	176.7	177.5	67.5	50.9	0	0	109.1	L118 G119 K120 G167	L118-Q169 PolarHBondContact O-NE2 2.97Å; G119-Q169 VanDerWaalsContact C-NE2 3.27Å; K120-Q169 VanDerWaalsContact CB-OE1 3.25Å; G167-Q169 PolarHBondContact O-N 2.94Å
170	S	89.3	Confident	90.4	Very high	5 Å²	5	47.9 Å²	47.9	4%	0.035	25%	0.248	C	C	.	.			trans	-66.7	149.8	177.5	161.8	0	0	0	0	111.5	G119 W172 Y211	G119-S170 PolarHBondContact O-N 2.89Å; S170-W172 PolarHBondContact OG-N 3.2Å; S170-W172 PolarHBondContact OG-O 2.8Å; S170-Y211 WeakPolarHBondContact CB-OH 3.26Å; S170-Y211 VanDerWaalsContact O-CE2 3.26Å; S170-Y211 WeakPolarHBondContact O-CE2 3.37Å; S170-Y211 PolarHBondContact OG-OH 3.39Å
171	S	87.6	Confident	89.8	Confident	55 Å²	55	45.9 Å²	45.9	39%	0.385	24%	0.236	S	C	.	.	S	Bend	trans	-96.6	3.4	174.8	59.7	0	0	0	0	112.8	T213	S171-T213 WeakPolarHBondContact O-CG2 3.36Å
172	W	91	Very high	89.1	Confident	92 Å²	92	47.3 Å²	47.3	35%	0.348	24%	0.24	S	C	.	.	S	Bend	trans	-123.3	126.9	-175.8	-60.3	94.1	0	0	0	110	P146 L158 S170 M174 F175 Y211	P146-W172 HydrophobicContact CB-CB 4.06Å; P146-W172 HydrophobicContact CB-CD2 3.66Å; P146-W172 HydrophobicContact CB-CE3 4.31Å; P146-W172 HydrophobicContact CB-CG 3.52Å; P146-W172 HydrophobicContact CG-CD2 4.33Å; P146-W172 HydrophobicContact CG-CG 4.02Å; L158-W172 HydrophobicContact CD1-CD2 4.36Å; L158-W172 HydrophobicContact CD1-CE3 3.96Å; L158-W172 HydrophobicContact CD1-CH2 3.1Å; L158-W172 HydrophobicContact CD1-CZ2 3.53Å; L158-W172 HydrophobicContact CD1-CZ3 3.33Å; S170-W172 PolarHBondContact OG-N 3.2Å; S170-W172 PolarHBondContact OG-O 2.8Å; W172-M174 VanDerWaalsContact C-N 3.25Å; W172-M174 PolarHBondContact O-N 2.98Å; W172-F175 WeakPolarHBondContact O-CD1 3.26Å; W172-Y211 PolarHBondContact O-OH 3.15Å
173	P	91.4	Very high	88.3	Confident	42 Å²	42	45.5 Å²	45.5	27%	0.273	23%	0.232	S	C	.	.	S	Bend	trans	-65	-29.4	-176.2	26.2	-34.7	0	0	0	113.2	G209	P173-G209 CarbonylContact O-C 3.56Å; P173-G209 VanDerWaalsContact O-C 3.26Å; P173-G209 WeakPolarHBondContact O-CA 3.41Å; P173-G209 PolarHBondContact O-N 2.9Å; P173-G209 VanDerWaalsContact O-N 3.07Å
174	M	94.5	Very high	87.8	Confident	25 Å²	25	40.3 Å²	40.3	12%	0.123	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.5	179.8	-63	178.5	-71.9	0	0	110.7	I147 W172 I207 P368 C369	I147-M174 HydrophobicContact CB-CB 4.23Å; I147-M174 PolarHBondContact N-O 3.08Å; W172-M174 VanDerWaalsContact C-N 3.25Å; W172-M174 PolarHBondContact O-N 2.98Å; M174-I207 WeakPolarHBondContact CA-O 3.18Å; M174-P368 HydrophobicContact CE-CB 3.98Å; M174-P368 HydrophobicContact CE-CG 4.08Å; M174-P368 HydrophobicContact SD-CB 4.18Å; M174-P368 HydrophobicContact SD-CG 4.41Å; M174-C369 HydrophobicContact CB-CB 4.25Å; M174-C369 HydrophobicContact CG-CB 4.16Å; M174-C369 HydrophobicContact SD-CB 3.86Å
175	F	95	Very high	87.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	155.2	-178.8	54.6	-79.9	0	0	0	111	F116 L144 F145 W172 V177 I207 Y211	F116-F175 AromaticContact CD1-CE2 3.82Å; F116-F175 HydrophobicContact CD1-CE2 3.82Å; F116-F175 AromaticContact CD1-CZ 3.68Å; F116-F175 HydrophobicContact CD1-CZ 3.68Å; F116-F175 AromaticContact CE1-CE2 3.56Å; F116-F175 HydrophobicContact CE1-CE2 3.56Å; F116-F175 AromaticContact CE1-CZ 3.9Å; F116-F175 HydrophobicContact CE1-CZ 3.9Å; F116-F175 HydrophobicContact CG-CZ 4.46Å; F116-F175 HydrophobicContact CZ-CE2 4.2Å; L144-F175 HydrophobicContact CD1-CB 4.32Å; L144-F175 HydrophobicContact CD1-CD1 4.49Å; L144-F175 HydrophobicContact CD1-CD2 3.29Å; L144-F175 HydrophobicContact CD1-CE2 3.6Å; L144-F175 HydrophobicContact CD1-CG 3.78Å; L144-F175 HydrophobicContact CD1-CZ 4.36Å; L144-F175 HydrophobicContact CD2-CB 3.79Å; L144-F175 HydrophobicContact CD2-CD2 4.29Å; L144-F175 HydrophobicContact CD2-CG 4.13Å; L144-F175 HydrophobicContact CG-CB 3.93Å; L144-F175 HydrophobicContact CG-CD2 3.57Å; L144-F175 HydrophobicContact CG-CE2 4.34Å; L144-F175 HydrophobicContact CG-CG 3.91Å; F145-F175 VanDerWaalsContact O-CA 3.3Å; F145-F175 WeakPolarHBondContact O-CA 3.34Å; F145-F175 WeakPolarHBondContact O-CB 3.24Å; W172-F175 WeakPolarHBondContact O-CD1 3.26Å; F175-V177 HydrophobicContact CD2-CG2 3.5Å; F175-V177 VanDerWaalsContact CD2-CG2 3.5Å; F175-V177 HydrophobicContact CE2-CG2 3.52Å; F175-I207 HydrophobicContact CD1-CB 4.3Å; F175-I207 HydrophobicContact CD2-CB 4.28Å; F175-I207 HydrophobicContact CD2-CG1 4.21Å; F175-I207 HydrophobicContact CE1-CB 3.79Å; F175-I207 HydrophobicContact CE1-CG1 4.39Å; F175-I207 HydrophobicContact CE1-CG2 3.76Å; F175-I207 HydrophobicContact CE2-CB 3.84Å; F175-I207 HydrophobicContact CE2-CG1 3.56Å; F175-I207 HydrophobicContact CE2-CG2 4.42Å; F175-I207 HydrophobicContact CZ-CB 3.58Å; F175-I207 HydrophobicContact CZ-CG1 3.67Å; F175-I207 HydrophobicContact CZ-CG2 3.67Å; F175-I207 PolarHBondContact N-O 2.94Å; F175-I207 VanDerWaalsContact N-O 3.17Å; F175-I207 PolarHBondContact O-N 2.68Å; F175-Y211 AromaticContact CE1-CE1 3.98Å; F175-Y211 HydrophobicContact CE1-CE1 3.98Å; F175-Y211 AromaticContact CE1-CZ 3.93Å; F175-Y211 WeakPolarHBondContact CE1-OH 3.44Å
176	M	94.6	Very high	86.2	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140.7	165.5	178.3	-175.4	59.2	0	0	108.8	F145 I147 Y157 I178 R204 L205 F206 E376	F145-M176 HydrophobicContact CB-CB 4.35Å; F145-M176 HydrophobicContact CB-CE 4.04Å; F145-M176 HydrophobicContact CD2-CE 3.92Å; F145-M176 HydrophobicContact CG-CE 3.92Å; F145-M176 PolarHBondContact N-O 3.48Å; F145-M176 PolarHBondContact O-N 3.49Å; I147-M176 HydrophobicContact CD1-CB 4.43Å; Y157-M176 HydrophobicContact CE1-CB 3.89Å; Y157-M176 HydrophobicContact CE1-CE 3.88Å; Y157-M176 HydrophobicContact CE1-SD 4.48Å; Y157-M176 HydrophobicContact CE2-CE 4.37Å; M176-I178 HydrophobicContact CE-CD1 3.65Å; M176-I178 HydrophobicContact CE-CG1 3.75Å; M176-I178 HydrophobicContact CG-CG1 4.39Å; M176-I178 HydrophobicContact SD-CD1 4.4Å; M176-I178 HydrophobicContact SD-CG1 4.12Å; M176-R204 HydrophobicContact SD-CB 4.23Å; M176-R204 HydrophobicContact SD-CG 3.99Å; M176-L205 CarbonylContact C-O 3.47Å; M176-L205 VanDerWaalsContact CA-O 3.29Å; M176-L205 WeakPolarHBondContact CA-O 3.19Å; M176-F206 HydrophobicContact CB-CD1 4.12Å; M176-F206 HydrophobicContact CB-CE1 3.82Å; M176-F206 HydrophobicContact CB-CZ 4.2Å; M176-F206 HydrophobicContact CG-CD1 4.44Å; M176-F206 HydrophobicContact CG-CE1 4Å; M176-F206 HydrophobicContact CG-CE2 4.2Å; M176-F206 HydrophobicContact CG-CZ 3.85Å; M176-F206 HydrophobicContact SD-CE1 4.08Å; M176-F206 HydrophobicContact SD-CE2 4.09Å; M176-F206 HydrophobicContact SD-CZ 3.53Å; M176-F206 VanDerWaalsContact SD-CZ 3.53Å; M176-E376 HydrophobicContact SD-CG 4.17Å
177	V	92.8	Very high	85.3	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.4	168.5	-179.2	0	0	0	0	108.7	F116 C142 S143 L144 I164 F175 R204 L205	F116-V177 HydrophobicContact CE1-CG2 4.06Å; F116-V177 HydrophobicContact CE2-CG2 4.23Å; F116-V177 HydrophobicContact CZ-CB 4.18Å; F116-V177 HydrophobicContact CZ-CG1 4.27Å; F116-V177 HydrophobicContact CZ-CG2 3.53Å; C142-V177 HydrophobicContact CB-CG1 4.01Å; S143-V177 WeakPolarHBondContact O-CA 3.49Å; L144-V177 HydrophobicContact CD1-CG2 4.4Å; L144-V177 HydrophobicContact CG-CG2 4.43Å; I164-V177 HydrophobicContact CD1-CG1 4.03Å; I164-V177 HydrophobicContact CD1-CG2 4.42Å; F175-V177 HydrophobicContact CD2-CG2 3.5Å; F175-V177 VanDerWaalsContact CD2-CG2 3.5Å; F175-V177 HydrophobicContact CE2-CG2 3.52Å; V177-R204 WeakPolarHBondContact O-CA 3.26Å; V177-L205 PolarHBondContact N-O 3.47Å; V177-L205 PolarHBondContact O-N 3.23Å
178	I	90.7	Very high	84	Confident	21 Å²	21	43.8 Å²	43.8	11%	0.108	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.8	171	-58.9	-169.8	0	0	0	107.8	C142 S143 F145 M176 I202 E203 R204	C142-I178 CarbonylContact C-O 3.53Å; C142-I178 WeakPolarHBondContact CA-O 3.03Å; S143-I178 PolarHBondContact N-O 3.3Å; S143-I178 PolarHBondContact O-N 3.07Å; F145-I178 HydrophobicContact CD2-CD1 4.12Å; F145-I178 HydrophobicContact CD2-CG1 3.93Å; F145-I178 HydrophobicContact CE2-CB 4Å; F145-I178 HydrophobicContact CE2-CD1 3.56Å; F145-I178 HydrophobicContact CE2-CG1 3.64Å; F145-I178 HydrophobicContact CZ-CD1 3.98Å; M176-I178 HydrophobicContact CE-CD1 3.65Å; M176-I178 HydrophobicContact CE-CG1 3.75Å; M176-I178 HydrophobicContact CG-CG1 4.39Å; M176-I178 HydrophobicContact SD-CD1 4.4Å; M176-I178 HydrophobicContact SD-CG1 4.12Å; I178-I202 HydrophobicContact CG2-CG2 3.53Å; I178-E203 CarbonylContact C-O 3.57Å; I178-E203 WeakPolarHBondContact CA-O 3.42Å; I178-R204 HydrophobicContact CG1-CG 4.2Å
179	C	87.5	Confident	82.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.4	169.8	-61.4	0	0	0	0	110	L97 I110 L114 V140 T141 C142 E203	L97-C179 HydrophobicContact CD2-CB 4.19Å; L97-C179 WeakPolarHBondContact CD2-O 3.02Å; I110-C179 HydrophobicContact CD1-CB 4.23Å; L114-C179 HydrophobicContact CD1-CB 4.39Å; L114-C179 WeakPolarHBondContact CD1-SG 2.99Å; V140-C179 HydrophobicContact CG1-CB 4.21Å; T141-C179 WeakPolarHBondContact O-CA 3.44Å; C142-C179 HydrophobicContact CB-CB 4.24Å; C142-C179 WeakPolarHBondContact CB-SG 3.26Å; C142-C179 WeakPolarHBondContact SG-CB 3.48Å; C142-C179 CovalentContact SG-SG 2.05Å; C142-C179 PolarHBondContact SG-SG 3.08Å; C179-E203 PolarHBondContact N-O 3.48Å; C179-E203 PolarHBondContact O-N 3.29Å
180	Q	85.8	Confident	81.3	Confident	28 Å²	28	46.4 Å²	46.4	13%	0.131	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	164.5	-175.9	61.3	-179.7	-26.2	0	0	111.4	V140 T141 I202	V140-Q180 WeakPolarHBondContact CA-O 3.35Å; T141-Q180 HydrophobicContact CG2-CG 4.26Å; T141-Q180 PolarHBondContact N-O 3.38Å; T141-Q180 PolarHBondContact O-N 2.81Å; Q180-I202 HydrophobicContact CB-CG1 4.14Å
181	P	81.7	Confident	79.8	Confident	11 Å²	11	54.5 Å²	54.5	7%	0.071	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	141.8	172.3	-14.1	29.5	0	0	0	110.6	L97 L139 Q183 N184 Q201	L97-P181 HydrophobicContact CD1-CG 3.73Å; L139-P181 CarbonylContact O-C 3.58Å; L139-P181 WeakPolarHBondContact O-CA 3.44Å; P181-Q183 VanDerWaalsContact CB-OE1 3.32Å; P181-Q183 PolarHBondContact O-N 3.13Å; P181-Q183 VanDerWaalsContact O-N 3.14Å; P181-N184 WeakPolarHBondContact O-CB 3.49Å; P181-N184 PolarHBondContact O-N 3.46Å; P181-Q201 HydrophobicContact CG-CB 4Å; P181-Q201 VanDerWaalsContact CG-OE1 3.29Å
182	K	79.1	Confident	78	Confident	78 Å²	78	58.3 Å²	58.3	34%	0.339	29%	0.285	S	S	.	.	H	α-helix	trans	-57.2	-29.3	175.7	-73.8	-173.3	-176.2	171.1	0	112.5	S138 L139 T141 N184 I185 F186	S138-K182 WeakPolarHBondContact O-CD 3.3Å; S138-K182 WeakPolarHBondContact O-CE 3.24Å; S138-K182 PolarHBondContact O-NZ 2.71Å; L139-K182 PolarHBondContact O-N 3.07Å; T141-K182 HydrophobicContact CG2-CG 3.87Å; K182-N184 PolarHBondContact O-N 3.43Å; K182-I185 WeakPolarHBondContact O-CB 3.32Å; K182-I185 PolarHBondContact O-N 3.29Å; K182-I185 VanDerWaalsContact O-N 3.08Å; K182-F186 HydrophobicContact CB-CE2 4.35Å; K182-F186 VanDerWaalsContact O-CD2 3.25Å; K182-F186 WeakPolarHBondContact O-CD2 3.21Å; K182-F186 PolarHBondContact O-N 2.83Å
183	Q	75.5	Confident	76.2	Confident	96 Å²	96	59 Å²	59	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-58.4	-34.5	175.4	-65.2	84.3	4.9	0	0	112.7	P181 I185 F186 L187	P181-Q183 VanDerWaalsContact CB-OE1 3.32Å; P181-Q183 PolarHBondContact O-N 3.13Å; P181-Q183 VanDerWaalsContact O-N 3.14Å; Q183-I185 PolarHBondContact O-N 2.88Å; Q183-F186 PolarHBondContact O-N 3.18Å; Q183-L187 WeakPolarHBondContact O-CG 3.48Å; Q183-L187 PolarHBondContact O-N 3.17Å
184	N	75.9	Confident	74.6	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.027	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-30.6	178	-74	0.6	0	0	0	111.9	P181 K182 L188	P181-N184 WeakPolarHBondContact O-CB 3.49Å; P181-N184 PolarHBondContact O-N 3.46Å; K182-N184 PolarHBondContact O-N 3.43Å; N184-L188 PolarHBondContact O-N 3.09Å
185	I	74.2	Confident	72.6	Confident	39 Å²	39	65.9 Å²	65.9	20%	0.2	34%	0.336	C	S	.	.	H	α-helix	trans	-71.7	-44.3	175.9	-59.1	-170.3	0	0	0	110.9	T141 K182 Q183 L187 L188 Q189	T141-I185 HydrophobicContact CG2-CD1 3.41Å; T141-I185 VanDerWaalsContact CG2-CD1 3.41Å; T141-I185 HydrophobicContact CG2-CG1 4.14Å; K182-I185 WeakPolarHBondContact O-CB 3.32Å; K182-I185 PolarHBondContact O-N 3.29Å; K182-I185 VanDerWaalsContact O-N 3.08Å; Q183-I185 PolarHBondContact O-N 2.88Å; I185-L187 VanDerWaalsContact C-N 3.28Å; I185-L187 PolarHBondContact O-N 3.14Å; I185-L188 WeakPolarHBondContact O-CB 3.08Å; I185-L188 PolarHBondContact O-N 2.94Å; I185-L188 VanDerWaalsContact O-N 3.13Å; I185-Q189 PolarHBondContact O-N 3.05Å
186	F	68.3	Low	70.7	Confident	132 Å²	132	74 Å²	74	58%	0.579	37%	0.368	S	S	*	.	H	α-helix	trans	-64	-33.4	177.9	-66.8	-64.5	0	0	0	112.7	K182 Q183 L188 Q189 S190	K182-F186 HydrophobicContact CB-CE2 4.35Å; K182-F186 VanDerWaalsContact O-CD2 3.25Å; K182-F186 WeakPolarHBondContact O-CD2 3.21Å; K182-F186 PolarHBondContact O-N 2.83Å; Q183-F186 PolarHBondContact O-N 3.18Å; F186-L188 VanDerWaalsContact C-N 3.31Å; F186-L188 PolarHBondContact O-N 2.81Å; F186-Q189 PolarHBondContact O-N 3.25Å; F186-S190 PolarHBondContact O-N 2.74Å; F186-S190 PolarHBondContact O-OG 3.5Å
187	L	66.7	Low	68.9	Low	40 Å²	40	77 Å²	77	21%	0.209	38%	0.379	C	S	.	.	H	α-helix	trans	-68.9	-24.2	174.5	-70.2	171.7	0	0	0	113.6	Q183 I185 Y197	Q183-L187 WeakPolarHBondContact O-CG 3.48Å; Q183-L187 PolarHBondContact O-N 3.17Å; I185-L187 VanDerWaalsContact C-N 3.28Å; I185-L187 PolarHBondContact O-N 3.14Å; L187-Y197 HydrophobicContact CB-CD1 4.32Å; L187-Y197 HydrophobicContact CB-CE1 3.75Å; L187-Y197 PolarHBondContact O-OH 3.5Å; L187-Y197 VanDerWaalsContact O-OH 3.05Å
188	L	62.7	Low	67.5	Low	109 Å²	109	82.3 Å²	82.3	57%	0.571	40%	0.402	S	S	*	.	H	α-helix	trans	-75	-31.7	172.9	-73.7	164.7	0	0	0	112.4	N184 I185 F186 Y197	N184-L188 PolarHBondContact O-N 3.09Å; I185-L188 WeakPolarHBondContact O-CB 3.08Å; I185-L188 PolarHBondContact O-N 2.94Å; I185-L188 VanDerWaalsContact O-N 3.13Å; F186-L188 VanDerWaalsContact C-N 3.31Å; F186-L188 PolarHBondContact O-N 2.81Å; L188-Y197 HydrophobicContact CD2-CE1 4.02Å; L188-Y197 HydrophobicContact CG-CE1 4.03Å
189	Q	63.4	Low	66.3	Low	150 Å²	150	87.2 Å²	87.2	70%	0.701	43%	0.428	S	S	*	.	H	α-helix	trans	-80.7	-27.9	-178.4	-68.7	-178.9	-22	0	0	112.9	I185 F186	I185-Q189 PolarHBondContact O-N 3.05Å; F186-Q189 PolarHBondContact O-N 3.25Å
190	S	59.4	Low	65.4	Low	43 Å²	43	91.4 Å²	91.4	30%	0.301	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	118.2	173.7	56.6	0	0	0	0	106.8	F186 F192	F186-S190 PolarHBondContact O-N 2.74Å; F186-S190 PolarHBondContact O-OG 3.5Å; S190-F192 PolarHBondContact O-N 3.21Å; S190-F192 WeakPolarHBondContact OG-CD2 3.34Å
191	N	57.6	Low	64.9	Low	175 Å²	175	92 Å²	92	94%	0.936	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	54.1	-177.4	-77.6	-24.1	0	0	0	114.4
192	F	51.4	Low	65	Low	136 Å²	136	92.8 Å²	92.8	60%	0.596	46%	0.457	S	S	*	.			trans	-91.3	151.9	-178.2	-88.1	-81.9	0	0	0	111.7	S190	S190-F192 PolarHBondContact O-N 3.21Å; S190-F192 WeakPolarHBondContact OG-CD2 3.34Å
193	N	52.7	Low	65.3	Low	106 Å²	106	89.5 Å²	89.5	57%	0.567	44%	0.443	S	S	*	.			trans	-53.4	134.4	-174.8	-154.2	-4.6	0	0	0	112	N195 Y196	N193-N195 PolarHBondContact O-N 3.09Å; N193-Y196 PolarHBondContact O-N 3.48Å
194	S	56.1	Low	66	Low	75 Å²	75	87.9 Å²	87.9	52%	0.524	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-57.6	-16.1	-175	55	0	0	0	0	114.8	Y196 Y197	S194-Y196 PolarHBondContact O-N 3.29Å; S194-Y197 VanDerWaalsContact O-CD2 3.27Å; S194-Y197 WeakPolarHBondContact O-CD2 3.31Å; S194-Y197 PolarHBondContact O-N 3.32Å
195	N	53.9	Low	66.7	Low	137 Å²	137	87.8 Å²	87.8	73%	0.733	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-68.9	-14.6	-179.5	-68.8	-8.4	0	0	0	114.3	N193	N193-N195 PolarHBondContact O-N 3.09Å
196	Y	54.9	Low	67.7	Low	171 Å²	171	86 Å²	86	67%	0.671	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-90	-9.7	176.9	-80	-81.6	0	0	0	114.3	N193 S194 K198	N193-Y196 PolarHBondContact O-N 3.48Å; S194-Y196 PolarHBondContact O-N 3.29Å; Y196-K198 PolarHBondContact O-N 2.92Å
197	Y	56	Low	68.9	Low	65 Å²	65	79.8 Å²	79.8	26%	0.255	40%	0.395	S	S	.	.			trans	-68.6	116.1	176.4	-66.7	-66.1	0	0	0	110.1	L187 L188 S194 L199	L187-Y197 HydrophobicContact CB-CD1 4.32Å; L187-Y197 HydrophobicContact CB-CE1 3.75Å; L187-Y197 PolarHBondContact O-OH 3.5Å; L187-Y197 VanDerWaalsContact O-OH 3.05Å; L188-Y197 HydrophobicContact CD2-CE1 4.02Å; L188-Y197 HydrophobicContact CG-CE1 4.03Å; S194-Y197 VanDerWaalsContact O-CD2 3.27Å; S194-Y197 WeakPolarHBondContact O-CD2 3.31Å; S194-Y197 PolarHBondContact O-N 3.32Å; Y197-L199 PolarHBondContact O-N 3.39Å
198	K	63.3	Low	70.2	Confident	111 Å²	111	78 Å²	78	48%	0.483	39%	0.386	S	S	.	.			trans	-77.7	70.9	169.7	-62.5	-175	-178.3	-179.9	0	109.4	Y196 D200 Q201	Y196-K198 PolarHBondContact O-N 2.92Å; K198-D200 WeakPolarHBondContact CA-OD1 3.31Å; K198-D200 PolarHBondContact O-N 3.48Å; K198-Q201 HydrophobicContact CB-CB 4.03Å; K198-Q201 HydrophobicContact CB-CG 3.81Å; K198-Q201 HydrophobicContact CD-CG 4.33Å; K198-Q201 WeakPolarHBondContact O-CA 3.42Å; K198-Q201 WeakPolarHBondContact O-CB 3.4Å; K198-Q201 PolarHBondContact O-N 2.95Å
199	L	65.7	Low	71.2	Confident	124 Å²	124	72.9 Å²	72.9	65%	0.649	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-58.6	-27.2	179.8	-75.3	162.6	0	0	0	112.1	Y197 Q201 I202	Y197-L199 PolarHBondContact O-N 3.39Å; L199-Q201 PolarHBondContact O-N 2.91Å; L199-I202 HydrophobicContact CD2-CD1 4.14Å; L199-I202 PolarHBondContact O-N 3.28Å
200	D	68.4	Low	71.7	Confident	89 Å²	89	65.8 Å²	65.8	48%	0.476	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-69.9	-10.2	174	69.1	-45.9	0	0	0	113.9	T96 K198	T96-D200 WeakPolarHBondContact CG2-OD2 3.42Å; T96-D200 PolarHBondContact N-O 3.49Å; T96-D200 VanDerWaalsContact N-O 3.1Å; T96-D200 VanDerWaalsContact OG1-CG 3.28Å; T96-D200 PolarHBondContact OG1-O 2.99Å; T96-D200 PolarHBondContact OG1-OD2 3.25Å; K198-D200 WeakPolarHBondContact CA-OD1 3.31Å; K198-D200 PolarHBondContact O-N 3.48Å
201	Q	76	Confident	72.3	Confident	39 Å²	39	64.2 Å²	64.2	18%	0.182	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-102.5	14.6	176	-62.9	-172.5	-14.4	0	0	113.2	T96 L97 P181 K198 L199	T96-Q201 WeakPolarHBondContact OG1-CG 3.47Å; L97-Q201 HydrophobicContact CB-CB 4.27Å; L97-Q201 WeakPolarHBondContact CB-O 3.29Å; L97-Q201 HydrophobicContact CD1-CB 4.25Å; L97-Q201 VanDerWaalsContact CD1-O 3.24Å; L97-Q201 WeakPolarHBondContact CD1-O 3.28Å; L97-Q201 WeakPolarHBondContact CD2-O 3.24Å; L97-Q201 WeakPolarHBondContact CG-O 3.43Å; P181-Q201 HydrophobicContact CG-CB 4Å; P181-Q201 VanDerWaalsContact CG-OE1 3.29Å; K198-Q201 HydrophobicContact CB-CB 4.03Å; K198-Q201 HydrophobicContact CB-CG 3.81Å; K198-Q201 HydrophobicContact CD-CG 4.33Å; K198-Q201 WeakPolarHBondContact O-CA 3.42Å; K198-Q201 WeakPolarHBondContact O-CB 3.4Å; K198-Q201 PolarHBondContact O-N 2.95Å; L199-Q201 PolarHBondContact O-N 2.91Å
202	I	83	Confident	72.8	Confident	28 Å²	28	58.3 Å²	58.3	14%	0.144	28%	0.28	C	S	.	.			trans	-103.1	120.4	174.9	-57.2	-179.9	0	0	0	108.7	I178 Q180 L199	I178-I202 HydrophobicContact CG2-CG2 3.53Å; Q180-I202 HydrophobicContact CB-CG1 4.14Å; L199-I202 HydrophobicContact CD2-CD1 4.14Å; L199-I202 PolarHBondContact O-N 3.28Å
203	E	86.1	Confident	73.1	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.047	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.9	175.7	-171.9	71.1	124.7	0	0	111.3	T95 L97 I110 I178 C179 L205 S389	T95-E203 HydrophobicContact CG2-CB 4.2Å; T95-E203 HydrophobicContact CG2-CG 4.36Å; T95-E203 WeakPolarHBondContact CG2-OE2 3.36Å; T95-E203 PolarHBondContact OG1-OE1 2.86Å; L97-E203 HydrophobicContact CD2-CB 3.96Å; I110-E203 HydrophobicContact CB-CG 4.15Å; I110-E203 HydrophobicContact CD1-CB 3.69Å; I110-E203 HydrophobicContact CD1-CG 3.32Å; I110-E203 HydrophobicContact CG1-CG 4.28Å; I110-E203 HydrophobicContact CG2-CG 3.94Å; I178-E203 CarbonylContact C-O 3.57Å; I178-E203 WeakPolarHBondContact CA-O 3.42Å; C179-E203 PolarHBondContact N-O 3.48Å; C179-E203 PolarHBondContact O-N 3.29Å; E203-L205 HydrophobicContact CG-CD2 4.17Å; E203-L205 HydrophobicContact CG-CG 4.49Å; E203-S389 WeakPolarHBondContact OE1-CB 3.34Å; E203-S389 PolarHBondContact OE1-OG 3.45Å; E203-S389 WeakPolarHBondContact OE2-CB 3.5Å; E203-S389 PolarHBondContact OE2-OG 3.2Å; E203-S389 VanDerWaalsContact OE2-OG 3.11Å
204	R	89.7	Confident	73.1	Confident	62 Å²	62	54 Å²	54	23%	0.234	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.9	179	-71.7	175.2	178.6	68.7	-0.6	109.6	M176 V177 I178 F206 E376 M388	M176-R204 HydrophobicContact SD-CB 4.23Å; M176-R204 HydrophobicContact SD-CG 3.99Å; V177-R204 WeakPolarHBondContact O-CA 3.26Å; I178-R204 HydrophobicContact CG1-CG 4.2Å; R204-F206 HydrophobicContact CB-CE2 4.33Å; R204-E376 IonicContact CZ-OE2 3.89Å; R204-E376 IonicContact NE-OE2 2.81Å; R204-E376 PolarHBondContact NE-OE2 2.98Å; R204-E376 IonicContact NH2-OE2 3.83Å; R204-M388 HydrophobicContact CB-CB 4.46Å; R204-M388 HydrophobicContact CB-CG 3.84Å; R204-M388 HydrophobicContact CB-SD 4.28Å
205	L	91.5	Very high	72.8	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127	175.7	-55.3	178	0	0	0	110	I110 L114 F116 M176 V177 E203 R390	I110-L205 HydrophobicContact CD1-CD1 3.84Å; I110-L205 HydrophobicContact CD1-CD2 4.45Å; I110-L205 HydrophobicContact CD1-CG 4.21Å; I110-L205 HydrophobicContact CG1-CD1 4.17Å; I110-L205 HydrophobicContact CG2-CD1 4.34Å; I110-L205 HydrophobicContact CG2-CD2 3.64Å; I110-L205 HydrophobicContact CG2-CG 4.49Å; L114-L205 HydrophobicContact CB-CD1 4.35Å; L114-L205 HydrophobicContact CD1-CD1 4.1Å; F116-L205 HydrophobicContact CE2-CD1 4.35Å; M176-L205 CarbonylContact C-O 3.47Å; M176-L205 VanDerWaalsContact CA-O 3.29Å; M176-L205 WeakPolarHBondContact CA-O 3.19Å; V177-L205 PolarHBondContact N-O 3.47Å; V177-L205 PolarHBondContact O-N 3.23Å; E203-L205 HydrophobicContact CG-CD2 4.17Å; E203-L205 HydrophobicContact CG-CG 4.49Å; L205-R390 HydrophobicContact CD2-CG 4.24Å
206	F	94.1	Very high	72.6	Confident	1 Å²	1	59.1 Å²	59.1	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.6	173.8	-72.8	-90.9	0	0	0	109.5	I147 Y157 M176 R204 A372 A373 E376 T387 M388	I147-F206 HydrophobicContact CD1-CD1 4.02Å; I147-F206 HydrophobicContact CD1-CE1 4.22Å; Y157-F206 WeakPolarHBondContact OH-CE1 3.38Å; M176-F206 HydrophobicContact CB-CD1 4.12Å; M176-F206 HydrophobicContact CB-CE1 3.82Å; M176-F206 HydrophobicContact CB-CZ 4.2Å; M176-F206 HydrophobicContact CG-CD1 4.44Å; M176-F206 HydrophobicContact CG-CE1 4Å; M176-F206 HydrophobicContact CG-CE2 4.2Å; M176-F206 HydrophobicContact CG-CZ 3.85Å; M176-F206 HydrophobicContact SD-CE1 4.08Å; M176-F206 HydrophobicContact SD-CE2 4.09Å; M176-F206 HydrophobicContact SD-CZ 3.53Å; M176-F206 VanDerWaalsContact SD-CZ 3.53Å; R204-F206 HydrophobicContact CB-CE2 4.33Å; F206-A372 HydrophobicContact CE1-CB 4.25Å; F206-A373 HydrophobicContact CD1-CB 3.78Å; F206-A373 HydrophobicContact CD2-CB 3.9Å; F206-A373 VanDerWaalsContact CE1-CA 3.46Å; F206-A373 HydrophobicContact CE1-CB 3.78Å; F206-A373 HydrophobicContact CE2-CB 3.9Å; F206-A373 HydrophobicContact CG-CB 3.84Å; F206-A373 HydrophobicContact CZ-CB 3.85Å; F206-E376 HydrophobicContact CZ-CB 4.3Å; F206-E376 HydrophobicContact CZ-CG 3.94Å; F206-T387 HydrophobicContact CB-CG2 4.17Å; F206-T387 HydrophobicContact CD2-CG2 3.71Å; F206-T387 HydrophobicContact CG-CG2 4.17Å; F206-M388 HydrophobicContact CD2-CG 4.24Å; F206-M388 HydrophobicContact CE2-CE 3.94Å; F206-M388 HydrophobicContact CE2-CG 3.84Å; F206-M388 HydrophobicContact CZ-CE 4.45Å
207	I	93.9	Very high	72.2	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	102.6	174.5	-49.9	-57.2	0	0	0	106.7	F116 M174 F175 G209 E398	F116-I207 HydrophobicContact CB-CD1 3.9Å; F116-I207 HydrophobicContact CB-CG1 4.26Å; F116-I207 HydrophobicContact CB-CG2 4.37Å; F116-I207 HydrophobicContact CD1-CG1 4.23Å; F116-I207 HydrophobicContact CD2-CD1 3.43Å; F116-I207 VanDerWaalsContact CD2-CD1 3.43Å; F116-I207 HydrophobicContact CD2-CG1 3.84Å; F116-I207 HydrophobicContact CE2-CD1 4.14Å; F116-I207 HydrophobicContact CE2-CG1 4.29Å; F116-I207 HydrophobicContact CG-CD1 3.7Å; F116-I207 HydrophobicContact CG-CG1 3.82Å; M174-I207 WeakPolarHBondContact CA-O 3.18Å; F175-I207 HydrophobicContact CD1-CB 4.3Å; F175-I207 HydrophobicContact CD2-CB 4.28Å; F175-I207 HydrophobicContact CD2-CG1 4.21Å; F175-I207 HydrophobicContact CE1-CB 3.79Å; F175-I207 HydrophobicContact CE1-CG1 4.39Å; F175-I207 HydrophobicContact CE1-CG2 3.76Å; F175-I207 HydrophobicContact CE2-CB 3.84Å; F175-I207 HydrophobicContact CE2-CG1 3.56Å; F175-I207 HydrophobicContact CE2-CG2 4.42Å; F175-I207 HydrophobicContact CZ-CB 3.58Å; F175-I207 HydrophobicContact CZ-CG1 3.67Å; F175-I207 HydrophobicContact CZ-CG2 3.67Å; F175-I207 PolarHBondContact N-O 2.94Å; F175-I207 VanDerWaalsContact N-O 3.17Å; F175-I207 PolarHBondContact O-N 2.68Å; I207-G209 PolarHBondContact O-N 3.19Å; I207-E398 VanDerWaalsContact CD1-OE1 3.28Å; I207-E398 WeakPolarHBondContact CD1-OE1 3.38Å
208	C	94.8	Very high	71.2	Confident	2 Å²	2	62 Å²	62	1%	0.014	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	44.1	-178.9	-52.8	0	0	0	0	110.6	I339 C369 V395 S399	C208-I339 HydrophobicContact CB-CD1 3.89Å; C208-C369 WeakPolarHBondContact CA-SG 3.49Å; C208-C369 HydrophobicContact CB-CB 3.52Å; C208-C369 WeakPolarHBondContact CB-SG 3.4Å; C208-C369 PolarHBondContact N-SG 2.98Å; C208-C369 WeakPolarHBondContact SG-CB 3.31Å; C208-C369 CovalentContact SG-SG 2.04Å; C208-C369 PolarHBondContact SG-SG 3.36Å; C208-V395 HydrophobicContact CB-CG1 4.36Å; C208-S399 VanDerWaalsContact O-CB 3.22Å; C208-S399 WeakPolarHBondContact O-CB 3.44Å; C208-S399 PolarHBondContact O-OG 3.12Å
209	G	82.9	Confident	70.1	Confident	2 Å²	2	65.7 Å²	65.7	2%	0.021	31%	0.306	C	S	.	.			trans	-72	177.1	-166.2	0	0	0	0	0	115.7	P173 I207 E402	P173-G209 CarbonylContact O-C 3.56Å; P173-G209 VanDerWaalsContact O-C 3.26Å; P173-G209 WeakPolarHBondContact O-CA 3.41Å; P173-G209 PolarHBondContact O-N 2.9Å; P173-G209 VanDerWaalsContact O-N 3.07Å; I207-G209 PolarHBondContact O-N 3.19Å; G209-E402 WeakPolarHBondContact CA-OE2 3.24Å
210	S	73.3	Confident	69	Low	2 Å²	2	62.2 Å²	62.2	1%	0.014	29%	0.292	C	S	.	.			trans	-134.2	24.3	-169.5	-65.1	0	0	0	0	114.5	S364 T406 Y407	S210-S364 WeakPolarHBondContact CB-OG 3.34Å; S210-S364 WeakPolarHBondContact OG-CB 3.09Å; S210-S364 PolarHBondContact OG-OG 2.84Å; S210-T406 WeakPolarHBondContact O-CG2 3.35Å; S210-Y407 WeakPolarHBondContact O-CE2 3.26Å; S210-Y407 PolarHBondContact O-OH 3.48Å
211	Y	72.2	Confident	67.2	Low	9 Å²	9	63.5 Å²	63.5	4%	0.035	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-93.7	156.4	-170	59.9	-89.9	0	0	0	115.6	G119 S170 W172 F175 T406	G119-Y211 WeakPolarHBondContact CA-OH 3.25Å; S170-Y211 WeakPolarHBondContact CB-OH 3.26Å; S170-Y211 VanDerWaalsContact O-CE2 3.26Å; S170-Y211 WeakPolarHBondContact O-CE2 3.37Å; S170-Y211 PolarHBondContact OG-OH 3.39Å; W172-Y211 PolarHBondContact O-OH 3.15Å; F175-Y211 AromaticContact CE1-CE1 3.98Å; F175-Y211 HydrophobicContact CE1-CE1 3.98Å; F175-Y211 AromaticContact CE1-CZ 3.93Å; F175-Y211 WeakPolarHBondContact CE1-OH 3.44Å; Y211-T406 WeakPolarHBondContact CA-OG1 3.43Å; Y211-T406 WeakPolarHBondContact CB-OG1 3.47Å
212	Y	68.5	Low	65.2	Low	52 Å²	52	71.7 Å²	71.7	20%	0.204	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-68.7	141.7	177.2	-72.8	-71.8	0	0	0	111.9	K216 T406 Y407 R410	Y212-K216 HydrophobicContact CD1-CB 4.16Å; Y212-T406 HydrophobicContact CD2-CG2 3.62Å; Y212-T406 HydrophobicContact CE2-CG2 4.02Å; Y212-T406 HydrophobicContact CG-CG2 4.37Å; Y212-Y407 HydrophobicContact CD1-CE1 4.42Å; Y212-Y407 HydrophobicContact CD2-CE1 4.37Å; Y212-Y407 HydrophobicContact CE1-CD1 4.46Å; Y212-Y407 AromaticContact CE1-CE1 3.68Å; Y212-Y407 HydrophobicContact CE1-CE1 3.68Å; Y212-Y407 AromaticContact CE2-CD1 3.7Å; Y212-Y407 HydrophobicContact CE2-CD1 3.7Å; Y212-Y407 AromaticContact CE2-CE1 3.62Å; Y212-Y407 HydrophobicContact CE2-CE1 3.62Å; Y212-Y407 AromaticContact CZ-CD1 3.58Å; Y212-Y407 AromaticContact CZ-CE1 3.23Å; Y212-Y407 VanDerWaalsContact OH-CD1 3.29Å; Y212-Y407 WeakPolarHBondContact OH-CD1 3.45Å; Y212-Y407 VanDerWaalsContact OH-CE1 3.24Å; Y212-Y407 WeakPolarHBondContact OH-CE1 3.44Å; Y212-R410 PolarHBondContact OH-NH2 3.42Å
213	T	59	Low	62.7	Low	41 Å²	41	74.3 Å²	74.3	25%	0.252	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-75.1	141.5	165.1	75.3	0	0	0	0	109.2	S171 K215 K216	S171-T213 WeakPolarHBondContact O-CG2 3.36Å; T213-K215 PolarHBondContact O-N 3.29Å; T213-K216 PolarHBondContact O-N 3.46Å
214	N	52.1	Low	60.3	Low	109 Å²	109	80.3 Å²	80.3	58%	0.583	38%	0.382	S	S	*	.	H	α-helix	trans	-50.4	-22.4	178.7	-79.2	-14.6	0	0	0	113.9
215	K	49.6	Very low	57.6	Low	186 Å²	186	82.4 Å²	82.4	81%	0.809	40%	0.403	S	S	*	.	H	α-helix	trans	-70.9	-27.4	174.6	-74.7	-179.5	178.1	175.8	0	113.8	T213	T213-K215 PolarHBondContact O-N 3.29Å
216	K	49.2	Very low	54.7	Low	135 Å²	135	90.4 Å²	90.4	59%	0.587	44%	0.437	S	S	*	.	H	α-helix	trans	-88.3	-25.1	177.6	-78.3	-174.3	178.6	177.6	0	113.5	Y212 T213 K218 K219 S220	Y212-K216 HydrophobicContact CD1-CB 4.16Å; T213-K216 PolarHBondContact O-N 3.46Å; K216-K218 VanDerWaalsContact C-N 3.25Å; K216-K218 PolarHBondContact O-N 3.27Å; K216-K219 PolarHBondContact O-N 3.03Å; K216-K219 VanDerWaalsContact O-N 3.17Å; K216-S220 WeakPolarHBondContact O-CB 3.02Å; K216-S220 PolarHBondContact O-N 3.38Å
217	Q	46.6	Very low	52.1	Low	118 Å²	118	99.7 Å²	99.7	55%	0.551	47%	0.472	S	S	*	.	H	α-helix	trans	-54.4	-41.9	170.9	-92.7	-176.3	-9	0	0	111.6	K219 I221	Q217-K219 PolarHBondContact O-N 3.04Å; Q217-I221 WeakPolarHBondContact O-CG1 3.46Å; Q217-I221 PolarHBondContact O-N 3.15Å
218	K	35.8	Very low	49.7	Very low	177 Å²	177	108.4 Å²	108.4	77%	0.77	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-28.3	179.6	-79.5	-176.1	176.6	180	0	114.7	K216	K216-K218 VanDerWaalsContact C-N 3.25Å; K216-K218 PolarHBondContact O-N 3.27Å
219	K	39.1	Very low	47.4	Very low	189 Å²	189	111.2 Å²	111.2	82%	0.822	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-21.2	177.2	-81.1	-174.3	175.6	-178.2	0	113.3	K216 Q217	K216-K219 PolarHBondContact O-N 3.03Å; K216-K219 VanDerWaalsContact O-N 3.17Å; Q217-K219 PolarHBondContact O-N 3.04Å
220	S	42.8	Very low	46.2	Very low	51 Å²	51	117.4 Å²	117.4	36%	0.357	55%	0.549	S	S	.	.			trans	-92.9	7.6	175.3	97.3	0	0	0	0	113.9	K216 W222	K216-S220 WeakPolarHBondContact O-CB 3.02Å; K216-S220 PolarHBondContact O-N 3.38Å; S220-W222 PolarHBondContact O-N 2.75Å
221	I	31	Very low	46.3	Very low	117 Å²	117	121.9 Å²	121.9	60%	0.6	57%	0.568	S	S	*	*			trans	-68	65.5	148.9	-50	161.4	0	0	0	106.4	Q217	Q217-I221 WeakPolarHBondContact O-CG1 3.46Å; Q217-I221 PolarHBondContact O-N 3.15Å
222	W	33.1	Very low	46.8	Very low	211 Å²	211	122.1 Å²	122.1	80%	0.799	57%	0.57	S	S	*	*			trans	-46.4	129.1	143.6	-79.8	80.1	0	0	0	104.8	S220 V224	S220-W222 PolarHBondContact O-N 2.75Å; W222-V224 PolarHBondContact O-N 2.78Å
223	P	30.8	Very low	48	Very low	82 Å²	82	120.7 Å²	120.7	53%	0.532	57%	0.566	S	S	.	*			trans	-50.9	129.5	-172.8	20.8	-30.8	0	0	0	107	T225	P223-T225 HydrophobicContact CB-CG2 4.02Å; P223-T225 HydrophobicContact CG-CG2 4.34Å; P223-T225 PolarHBondContact O-N 3.26Å; P223-T225 PolarHBondContact O-OG1 3.48Å; P223-T225 VanDerWaalsContact O-OG1 3.09Å
224	V	36.2	Very low	49.9	Very low	136 Å²	136	118.8 Å²	118.8	82%	0.824	55%	0.554	S	S	*	*			trans	-67.6	49	165.2	-170.9	0	0	0	0	107	W222 K226	W222-V224 PolarHBondContact O-N 2.78Å; V224-K226 PolarHBondContact O-N 2.96Å
225	T	32.3	Very low	52.1	Low	107 Å²	107	113.8 Å²	113.8	66%	0.656	53%	0.527	S	S	*	.			trans	-63.7	83.8	155.7	41.2	0	0	0	0	104.8	P223 R227	P223-T225 HydrophobicContact CB-CG2 4.02Å; P223-T225 HydrophobicContact CG-CG2 4.34Å; P223-T225 PolarHBondContact O-N 3.26Å; P223-T225 PolarHBondContact O-OG1 3.48Å; P223-T225 VanDerWaalsContact O-OG1 3.09Å; T225-R227 VanDerWaalsContact C-N 3.33Å; T225-R227 PolarHBondContact O-N 2.86Å
226	K	31.3	Very low	54.4	Low	170 Å²	170	105 Å²	105	74%	0.739	49%	0.489	S	S	*	.			trans	13.8	75.1	156.2	-68.7	175	178.1	171.3	0	111.8	V224 K228	V224-K226 PolarHBondContact O-N 2.96Å; K226-K228 HydrophobicContact CB-CG 4.43Å; K226-K228 PolarHBondContact O-N 2.83Å
227	R	40.7	Very low	56.8	Low	196 Å²	196	98.5 Å²	98.5	74%	0.74	46%	0.461	S	S	*	.			trans	-72.5	79.6	169.8	-151.2	178	-170.7	138.9	7.4	105.5	T225 Q229	T225-R227 VanDerWaalsContact C-N 3.33Å; T225-R227 PolarHBondContact O-N 2.86Å; R227-Q229 PolarHBondContact O-N 2.87Å; R227-Q229 VanDerWaalsContact O-N 3.1Å
228	K	41.9	Very low	59.3	Low	184 Å²	184	92.9 Å²	92.9	80%	0.8	44%	0.435	S	S	*	.			trans	-71.4	3.1	-169.3	-107.1	-176.9	175.6	-172.5	0	113.7	K226	K226-K228 HydrophobicContact CB-CG 4.43Å; K226-K228 PolarHBondContact O-N 2.83Å
229	Q	47.8	Very low	62.3	Low	61 Å²	61	84.5 Å²	84.5	29%	0.285	40%	0.398	S	S	.	.	S	Bend	trans	-134.8	113.7	177.2	-85.4	153.5	4.5	0	0	110.4	R227 K231	R227-Q229 PolarHBondContact O-N 2.87Å; R227-Q229 VanDerWaalsContact O-N 3.1Å; Q229-K231 PolarHBondContact O-N 3.31Å
230	K	57.9	Low	65.1	Low	133 Å²	133	75.5 Å²	75.5	58%	0.578	36%	0.359	S	S	*	.			trans	-74.9	107.3	178.1	-163.6	170.6	-175.6	172	0	107.9	L232	K230-L232 PolarHBondContact O-N 3.34Å
231	K	74.3	Confident	67.7	Low	95 Å²	95	73.2 Å²	73.2	41%	0.413	34%	0.343	S	S	.	.			trans	-61.3	127.2	171.7	-71.2	-173	177.9	-171.9	0	108.4	Q229 M233 N545	Q229-K231 PolarHBondContact O-N 3.31Å; K231-M233 PolarHBondContact O-N 2.65Å; K231-N545 VanDerWaalsContact CA-OD1 3.3Å; K231-N545 WeakPolarHBondContact CA-OD1 3.34Å; K231-N545 HydrophobicContact CB-CB 4.47Å; K231-N545 HydrophobicContact CD-CB 4.49Å; K231-N545 HydrophobicContact CG-CB 4.26Å
232	L	84	Confident	70.7	Confident	14 Å²	14	67.7 Å²	67.7	7%	0.073	32%	0.315	C	S	.	.			trans	-69.5	109.8	173.9	179	66	0	0	0	108.3	K230 Y234 M505 K509 W510 Y544 N545	K230-L232 PolarHBondContact O-N 3.34Å; L232-Y234 HydrophobicContact CD1-CE2 3.7Å; L232-Y234 HydrophobicContact CD2-CE2 3.95Å; L232-Y234 HydrophobicContact CG-CD2 4.49Å; L232-Y234 HydrophobicContact CG-CE2 3.68Å; L232-M505 HydrophobicContact CD1-CE 3.17Å; L232-M505 HydrophobicContact CD1-CG 4.39Å; L232-M505 HydrophobicContact CD1-SD 3.54Å; L232-M505 VanDerWaalsContact CD1-SD 3.54Å; L232-K509 HydrophobicContact CD1-CD 4.5Å; L232-K509 HydrophobicContact CD2-CD 3.6Å; L232-W510 HydrophobicContact CD2-CZ2 4.26Å; L232-Y544 HydrophobicContact CB-CD1 3.93Å; L232-Y544 HydrophobicContact CB-CE1 3.79Å; L232-Y544 HydrophobicContact CD2-CD1 3.75Å; L232-Y544 HydrophobicContact CD2-CE1 3.45Å; L232-Y544 VanDerWaalsContact CD2-CE1 3.45Å; L232-Y544 HydrophobicContact CG-CD1 4.45Å; L232-Y544 HydrophobicContact CG-CE1 4.27Å; L232-N545 PolarHBondContact N-OD1 3.24Å; L232-N545 PolarHBondContact O-ND2 2.03Å
233	M	93.6	Very high	73.5	Confident	23 Å²	23	57.8 Å²	57.8	11%	0.113	28%	0.277	C	S	.	.			trans	-139.5	128.5	173.8	-68.3	-64.7	-168.4	0	0	108.6	K231 Y334 P411 N467 Q541 L542	K231-M233 PolarHBondContact O-N 2.65Å; M233-Y334 HydrophobicContact CB-CE2 4.42Å; M233-Y334 HydrophobicContact CG-CE2 4.44Å; M233-Y334 HydrophobicContact SD-CE2 4.02Å; M233-P411 HydrophobicContact CB-CB 3.68Å; M233-P411 HydrophobicContact CB-CG 4Å; M233-P411 HydrophobicContact CG-CB 4.47Å; M233-P411 HydrophobicContact CG-CG 4.28Å; M233-N467 PolarHBondContact O-ND2 2.95Å; M233-Q541 VanDerWaalsContact CA-OE1 3.28Å; M233-Q541 HydrophobicContact CE-CB 4.33Å; M233-Q541 HydrophobicContact SD-CB 3.61Å; M233-Q541 HydrophobicContact SD-CG 4.19Å; M233-L542 HydrophobicContact CE-CD2 3.75Å; M233-L542 HydrophobicContact CE-CG 4.4Å
234	Y	97.2	Very high	76.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.252	C	S	.	.			trans	-89.6	138.6	178.2	-65	-97.5	0	0	0	109.4	L232 Y334 N467 P503 M505 F506 W510 Q541	L232-Y234 HydrophobicContact CD1-CE2 3.7Å; L232-Y234 HydrophobicContact CD2-CE2 3.95Å; L232-Y234 HydrophobicContact CG-CD2 4.49Å; L232-Y234 HydrophobicContact CG-CE2 3.68Å; Y234-Y334 WeakPolarHBondContact O-CE1 3.37Å; Y234-Y334 PolarHBondContact O-OH 3.33Å; Y234-N467 WeakPolarHBondContact CA-O 3.45Å; Y234-N467 VanDerWaalsContact CD1-CG 3.48Å; Y234-N467 WeakPolarHBondContact CD1-OD1 3.23Å; Y234-N467 WeakPolarHBondContact CE1-OD1 3.19Å; Y234-P503 HydrophobicContact CD1-CG 3.6Å; Y234-P503 HydrophobicContact CE1-CG 3.88Å; Y234-M505 HydrophobicContact CE1-CB 4.45Å; Y234-M505 HydrophobicContact CE1-CE 4.31Å; Y234-M505 VanDerWaalsContact OH-C 3.28Å; Y234-M505 PolarHBondContact OH-O 3.24Å; Y234-F506 HydrophobicContact CD1-CB 4.08Å; Y234-F506 HydrophobicContact CD1-CD2 4.24Å; Y234-F506 HydrophobicContact CE1-CB 3.47Å; Y234-F506 VanDerWaalsContact CE1-CB 3.47Å; Y234-F506 HydrophobicContact CE1-CD2 4.16Å; Y234-F506 HydrophobicContact CE1-CG 4.32Å; Y234-F506 WeakPolarHBondContact OH-CA 3.46Å; Y234-F506 PolarHBondContact OH-N 3.15Å; Y234-W510 HydrophobicContact CD1-CZ3 4.45Å; Y234-W510 HydrophobicContact CD2-CE3 4.31Å; Y234-W510 AromaticContact CD2-CH2 3.21Å; Y234-W510 HydrophobicContact CD2-CH2 3.21Å; Y234-W510 HydrophobicContact CD2-CZ2 4.39Å; Y234-W510 AromaticContact CD2-CZ3 3.15Å; Y234-W510 HydrophobicContact CD2-CZ3 3.15Å; Y234-W510 HydrophobicContact CE1-CZ3 4.18Å; Y234-W510 HydrophobicContact CE2-CD2 4.5Å; Y234-W510 AromaticContact CE2-CE3 3.69Å; Y234-W510 HydrophobicContact CE2-CE3 3.69Å; Y234-W510 AromaticContact CE2-CH2 2.92Å; Y234-W510 HydrophobicContact CE2-CH2 2.92Å; Y234-W510 AromaticContact CE2-CZ2 3.81Å; Y234-W510 HydrophobicContact CE2-CZ2 3.81Å; Y234-W510 AromaticContact CE2-CZ3 2.84Å; Y234-W510 HydrophobicContact CE2-CZ3 2.84Å; Y234-W510 HydrophobicContact CG-CH2 4.38Å; Y234-W510 AromaticContact CG-CZ3 3.98Å; Y234-W510 HydrophobicContact CG-CZ3 3.98Å; Y234-W510 AromaticContact CZ-CE3 3.79Å; Y234-W510 AromaticContact CZ-CH2 3.88Å; Y234-W510 AromaticContact CZ-CZ3 3.37Å; Y234-Q541 HydrophobicContact CD2-CG 4.5Å; Y234-Q541 VanDerWaalsContact CD2-OE1 3.28Å
235	N	98.2	Very high	79.3	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.027	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	147.2	169	-40.4	-54.5	0	0	0	108.4	F404 R412 A466 N467 T468 L469	N235-F404 HydrophobicContact CB-CE1 3.9Å; N235-F404 HydrophobicContact CB-CZ 4.36Å; N235-R412 CarbonylContact C-O 3.52Å; N235-R412 VanDerWaalsContact CA-O 3.23Å; N235-R412 WeakPolarHBondContact CA-O 3.46Å; N235-R412 HydrophobicContact CB-CB 4.26Å; N235-R412 PolarHBondContact ND2-NH2 3.18Å; N235-R412 PolarHBondContact OD1-N 3.22Å; N235-R412 PolarHBondContact OD1-NE 3.01Å; N235-R412 PolarHBondContact OD1-NH2 3.31Å; N235-A466 PolarHBondContact ND2-O 3.42Å; N235-N467 PolarHBondContact N-O 2.86Å; N235-N467 PolarHBondContact ND2-O 3.24Å; N235-T468 HydrophobicContact CB-CG2 4.06Å; N235-T468 PolarHBondContact ND2-OG1 2.8Å; N235-T468 CarbonylContact O-C 3.45Å; N235-T468 WeakPolarHBondContact O-CA 3.45Å; N235-L469 PolarHBondContact O-N 3.3Å
236	I	98.8	Very high	82.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.4	178.2	-49.1	-57.2	0	0	0	107.6	L238 Y328 Y334 R412 F413 S414 L469 L534 L537	I236-L238 HydrophobicContact CG2-CD2 4.02Å; I236-L238 HydrophobicContact CG2-CG 4.19Å; I236-Y328 HydrophobicContact CD1-CE1 4.32Å; I236-Y328 HydrophobicContact CG1-CD1 4.45Å; I236-Y328 HydrophobicContact CG1-CE1 3.73Å; I236-Y334 HydrophobicContact CG1-CE1 4.18Å; I236-R412 PolarHBondContact N-O 2.9Å; I236-F413 HydrophobicContact CB-CD2 3.72Å; I236-F413 HydrophobicContact CB-CE2 4.2Å; I236-F413 HydrophobicContact CB-CG 4.28Å; I236-F413 HydrophobicContact CG1-CD2 3.97Å; I236-F413 HydrophobicContact CG2-CD2 3.93Å; I236-F413 HydrophobicContact CG2-CE2 3.87Å; I236-F413 CarbonylContact O-C 3.44Å; I236-F413 WeakPolarHBondContact O-CA 3.28Å; I236-S414 PolarHBondContact O-N 2.93Å; I236-L469 HydrophobicContact CD1-CB 4.29Å; I236-L469 HydrophobicContact CD1-CD2 4.27Å; I236-L534 HydrophobicContact CD1-CD2 4.24Å; I236-L534 HydrophobicContact CG2-CD2 3.72Å; I236-L537 HydrophobicContact CD1-CD2 3.51Å
237	L	98.9	Very high	85.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	105.5	171.9	174.8	55.8	0	0	0	109.2	L239 L400 F404 I443 T468 L469 V470 I471	L237-L239 HydrophobicContact CD1-CB 4.39Å; L237-L239 HydrophobicContact CG-CB 4.21Å; L237-L400 HydrophobicContact CD1-CD1 3.61Å; L237-L400 HydrophobicContact CD1-CD2 3.97Å; L237-L400 HydrophobicContact CD1-CG 4.47Å; L237-L400 HydrophobicContact CD2-CD2 4.14Å; L237-F404 HydrophobicContact CB-CZ 4.27Å; L237-I443 HydrophobicContact CD2-CD1 3.7Å; L237-T468 HydrophobicContact CB-CG2 3.78Å; L237-L469 PolarHBondContact N-O 3.36Å; L237-V470 HydrophobicContact CB-CG1 4.46Å; L237-V470 HydrophobicContact CB-CG2 4.38Å; L237-V470 HydrophobicContact CD2-CG1 4.19Å; L237-V470 HydrophobicContact CD2-CG2 4.31Å; L237-V470 HydrophobicContact CG-CG1 4.25Å; L237-V470 CarbonylContact O-C 3.41Å; L237-V470 WeakPolarHBondContact O-CA 3.34Å; L237-I471 PolarHBondContact O-N 3.44Å
238	L	98.9	Very high	87.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	99	167.2	-51.8	179.6	0	0	0	107	I236 L287 L288 F413 S414 L415 T416 I471 F473 L534	I236-L238 HydrophobicContact CG2-CD2 4.02Å; I236-L238 HydrophobicContact CG2-CG 4.19Å; L238-L287 HydrophobicContact CD1-CD2 4.12Å; L238-L287 HydrophobicContact CD1-CG 4.5Å; L238-L288 HydrophobicContact CD1-CD2 4.4Å; L238-F413 HydrophobicContact CD1-CE1 3.89Å; L238-F413 HydrophobicContact CD1-CE2 4.48Å; L238-F413 HydrophobicContact CD1-CZ 3.55Å; L238-F413 HydrophobicContact CG-CZ 4.36Å; L238-S414 WeakPolarHBondContact CB-O 3.36Å; L238-S414 PolarHBondContact N-O 2.84Å; L238-L415 HydrophobicContact CB-CD1 3.79Å; L238-L415 WeakPolarHBondContact O-CA 3.26Å; L238-T416 PolarHBondContact O-N 2.9Å; L238-I471 HydrophobicContact CD2-CB 3.95Å; L238-I471 HydrophobicContact CD2-CD1 4.2Å; L238-I471 HydrophobicContact CD2-CG1 4.21Å; L238-F473 HydrophobicContact CB-CE1 4.09Å; L238-L534 HydrophobicContact CD1-CD1 4.4Å; L238-L534 HydrophobicContact CD2-CD1 4.17Å
239	L	98.7	Very high	90.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	96.5	178.9	-175.6	56.4	0	0	0	108.2	L237 L397 T416 L436 L439 I440 I471 L472 F473	L237-L239 HydrophobicContact CD1-CB 4.39Å; L237-L239 HydrophobicContact CG-CB 4.21Å; L239-L397 HydrophobicContact CD1-CD2 4.3Å; L239-T416 WeakPolarHBondContact CA-O 3.2Å; L239-T416 HydrophobicContact CD1-CG2 3.94Å; L239-L436 HydrophobicContact CD2-CD1 3.46Å; L239-L436 VanDerWaalsContact CD2-CD1 3.46Å; L239-L436 HydrophobicContact CG-CD1 4.4Å; L239-L439 HydrophobicContact CD2-CD2 3.9Å; L239-I440 HydrophobicContact CD2-CD1 4.46Å; L239-I471 PolarHBondContact N-O 2.88Å; L239-L472 HydrophobicContact CB-CD1 4.22Å; L239-L472 HydrophobicContact CD2-CD1 4.05Å; L239-L472 HydrophobicContact CG-CD1 3.92Å; L239-L472 WeakPolarHBondContact O-CA 3.34Å; L239-L472 WeakPolarHBondContact O-CD1 3.1Å; L239-F473 PolarHBondContact O-N 3.05Å
240	G	98.3	Very high	92.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	149.4	-177.3	0	0	0	0	0	112.4	T416 L418 F473	G240-T416 PolarHBondContact N-O 3.02Å; G240-L418 PolarHBondContact O-N 3.4Å; G240-F473 CarbonylContact C-O 3.46Å; G240-F473 VanDerWaalsContact CA-O 3.24Å; G240-F473 WeakPolarHBondContact CA-O 3.46Å
241	I	97.3	Very high	93.8	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.015	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	122.6	175.4	-47.4	-178.8	0	0	0	108.7	I244 L253 L418 I422 L436 L472 F473 S474	I241-I244 HydrophobicContact CB-CG2 4.46Å; I241-L253 HydrophobicContact CD1-CD1 4.29Å; I241-L418 CarbonylContact C-O 3.46Å; I241-L418 WeakPolarHBondContact CA-O 3.23Å; I241-L418 HydrophobicContact CG1-CD1 4.42Å; I241-L418 HydrophobicContact CG2-CB 4.43Å; I241-I422 HydrophobicContact CG2-CD1 3.26Å; I241-I422 HydrophobicContact CG2-CG1 4.02Å; I241-L436 HydrophobicContact CD1-CD2 3.83Å; I241-L472 HydrophobicContact CD1-CD1 3.95Å; I241-L472 HydrophobicContact CG1-CD1 4.3Å; I241-F473 PolarHBondContact N-O 3.33Å; I241-S474 VanDerWaalsContact O-CA 3.23Å; I241-S474 WeakPolarHBondContact O-CA 3.41Å; I241-S474 VanDerWaalsContact O-CB 3.22Å; I241-S474 WeakPolarHBondContact O-CB 3.47Å; I241-S474 PolarHBondContact O-OG 3.34Å
242	D	93.8	Very high	94.7	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.011	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	113.1	174.5	161.8	21	0	0	0	109.6	T280 F417 L418 S419 I422 H423 D475 H476	D242-T280 PolarHBondContact OD2-OG1 3.09Å; D242-F417 HydrophobicContact CB-CE1 3.51Å; D242-F417 HydrophobicContact CB-CZ 3.75Å; D242-L418 PolarHBondContact N-O 2.8Å; D242-S419 VanDerWaalsContact O-O 3.14Å; D242-S419 PolarHBondContact OD2-OG 3.29Å; D242-I422 WeakPolarHBondContact O-CG1 3.39Å; D242-H423 PolarHBondContact O-N 2.88Å; D242-H423 IonicContact OD1-CD2 3.78Å; D242-H423 PolarHBondContact OD1-CD2 2.95Å; D242-H423 IonicContact OD2-CD2 3.71Å; D242-H423 PolarHBondContact OD2-CD2 2.86Å; D242-D475 WeakPolarHBondContact CA-OD1 3.34Å; D242-D475 WeakPolarHBondContact CB-OD1 3.36Å; D242-H476 IonicContact OD1-CE1 3.54Å; D242-H476 PolarHBondContact OD1-CE1 3.25Å; D242-H476 IonicContact OD1-NE2 3.85Å
243	S	92.6	Very high	95.3	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.014	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	cis	-139.5	140.3	-3.3	32.4	0	0	0	0	111.6	H476 G477	S243-H476 WeakPolarHBondContact CB-CE1 3.46Å; S243-H476 WeakPolarHBondContact CB-ND1 3.3Å; S243-H476 WeakPolarHBondContact CB-O 3.34Å; S243-H476 PolarHBondContact OG-CE1 2.87Å; S243-H476 PolarHBondContact OG-ND1 3.1Å; S243-G477 WeakPolarHBondContact CB-O 3.07Å
244	I	94.8	Very high	95.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.058	C	C	.	.			trans	-145.6	121.2	-174.7	-160	170.5	0	0	0	111.6	I241 A249 L253 I422 A429 S474 H476 F497	I241-I244 HydrophobicContact CB-CG2 4.46Å; I244-A249 HydrophobicContact CD1-CB 4.07Å; I244-A249 HydrophobicContact CG1-CB 4.35Å; I244-L253 HydrophobicContact CD1-CD1 3.74Å; I244-L253 HydrophobicContact CD1-CG 3.86Å; I244-I422 HydrophobicContact CB-CD1 4.03Å; I244-A429 HydrophobicContact CD1-CB 3.93Å; I244-S474 PolarHBondContact N-OG 2.78Å; I244-S474 VanDerWaalsContact O-CB 3.29Å; I244-S474 WeakPolarHBondContact O-CB 3.2Å; I244-S474 PolarHBondContact O-OG 3.33Å; I244-H476 PolarHBondContact N-O 2.81Å; I244-F497 HydrophobicContact CG2-CB 4.17Å; I244-F497 PolarHBondContact O-N 2.92Å
245	S	94.7	Very high	95.5	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-67.8	159.7	171.8	68	0	0	0	0	110.8	L247 S248 A249 E492	S245-L247 VanDerWaalsContact C-N 3.26Å; S245-L247 PolarHBondContact O-N 3.36Å; S245-S248 PolarHBondContact O-N 2.78Å; S245-S248 VanDerWaalsContact O-N 3.15Å; S245-S248 WeakPolarHBondContact OG-CB 3.38Å; S245-S248 PolarHBondContact OG-N 2.95Å; S245-S248 PolarHBondContact OG-OG 3.08Å; S245-A249 PolarHBondContact O-N 2.81Å; S245-E492 WeakPolarHBondContact CB-O 3.47Å; S245-E492 WeakPolarHBondContact CB-OE2 3.34Å; S245-E492 PolarHBondContact OG-OE2 3.48Å
246	R	94.6	Very high	95.6	Very high	43 Å²	43	16.6 Å²	16.6	16%	0.162	8%	0.076	C	C	.	.	H	α-helix	trans	-51.9	-48.4	172.9	-174.5	175.7	65.6	76.4	2.5	111.1	A249 Y250 L495 F497	R246-A249 WeakPolarHBondContact O-CB 3.22Å; R246-A249 PolarHBondContact O-N 2.99Å; R246-Y250 HydrophobicContact CG-CD2 4.31Å; R246-Y250 HydrophobicContact CG-CE2 4.02Å; R246-Y250 VanDerWaalsContact O-CD2 3.25Å; R246-Y250 WeakPolarHBondContact O-CD2 3.4Å; R246-Y250 PolarHBondContact O-N 2.79Å; R246-L495 PolarHBondContact N-O 2.84Å; R246-F497 HydrophobicContact CG-CD2 4.44Å
247	L	91	Very high	95.5	Very high	11 Å²	11	17 Å²	17	6%	0.058	8%	0.079	C	C	.	.	H	α-helix	trans	-67.3	-37.8	179.8	-66.1	-176.6	0	0	0	113.2	M72 N73 L74 S245 A249 Y250 R251 E492	M72-L247 HydrophobicContact CB-CD1 3.52Å; M72-L247 HydrophobicContact CE-CD1 4.11Å; M72-L247 HydrophobicContact CE-CG 4.37Å; M72-L247 HydrophobicContact SD-CD1 4.29Å; N73-L247 WeakPolarHBondContact O-CD1 3.38Å; L74-L247 HydrophobicContact CD1-CD2 4.32Å; S245-L247 VanDerWaalsContact C-N 3.26Å; S245-L247 PolarHBondContact O-N 3.36Å; L247-A249 VanDerWaalsContact C-N 3.27Å; L247-A249 PolarHBondContact O-N 2.69Å; L247-Y250 WeakPolarHBondContact O-CB 3.34Å; L247-Y250 PolarHBondContact O-N 3.44Å; L247-R251 WeakPolarHBondContact O-CG 3.45Å; L247-R251 PolarHBondContact O-N 3.23Å; L247-E492 HydrophobicContact CD1-CG 4.34Å
248	S	91.1	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.3	-36.6	173.5	-67.3	0	0	0	0	112	S245 R251 Y252 E492	S245-S248 PolarHBondContact O-N 2.78Å; S245-S248 VanDerWaalsContact O-N 3.15Å; S245-S248 WeakPolarHBondContact OG-CB 3.38Å; S245-S248 PolarHBondContact OG-N 2.95Å; S245-S248 PolarHBondContact OG-OG 3.08Å; S248-R251 PolarHBondContact O-N 3.22Å; S248-R251 VanDerWaalsContact O-N 3.11Å; S248-R251 PolarHBondContact OG-NH2 3.18Å; S248-Y252 WeakPolarHBondContact O-CD2 3.29Å; S248-Y252 PolarHBondContact O-N 3.39Å; S248-E492 PolarHBondContact OG-OE2 2.87Å
249	A	95.4	Very high	95.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.4	-44.5	174.1	0	0	0	0	0	111.3	I244 S245 R246 L247 R251 Y252 L253 I257 F497	I244-A249 HydrophobicContact CD1-CB 4.07Å; I244-A249 HydrophobicContact CG1-CB 4.35Å; S245-A249 PolarHBondContact O-N 2.81Å; R246-A249 WeakPolarHBondContact O-CB 3.22Å; R246-A249 PolarHBondContact O-N 2.99Å; L247-A249 VanDerWaalsContact C-N 3.27Å; L247-A249 PolarHBondContact O-N 2.69Å; A249-R251 PolarHBondContact O-N 3.16Å; A249-Y252 PolarHBondContact O-N 2.9Å; A249-L253 HydrophobicContact CB-CD1 4.19Å; A249-L253 CarbonylContact O-C 3.58Å; A249-L253 WeakPolarHBondContact O-CA 3.21Å; A249-L253 WeakPolarHBondContact O-CB 3.41Å; A249-L253 PolarHBondContact O-N 3Å; A249-I257 HydrophobicContact CB-CD1 4.18Å; A249-I257 HydrophobicContact CB-CG1 4.46Å; A249-F497 HydrophobicContact CB-CB 3.93Å; A249-F497 HydrophobicContact CB-CD1 4.32Å; A249-F497 HydrophobicContact CB-CD2 3.64Å; A249-F497 HydrophobicContact CB-CE2 4.25Å; A249-F497 HydrophobicContact CB-CG 3.68Å
250	Y	93.6	Very high	95.5	Very high	64 Å²	64	23.8 Å²	23.8	25%	0.251	11%	0.11	S	C	.	.	H	α-helix	trans	-60	-30.5	172.5	-81	-85.3	0	0	0	113.2	R246 L247 I257 H261	R246-Y250 HydrophobicContact CG-CD2 4.31Å; R246-Y250 HydrophobicContact CG-CE2 4.02Å; R246-Y250 VanDerWaalsContact O-CD2 3.25Å; R246-Y250 WeakPolarHBondContact O-CD2 3.4Å; R246-Y250 PolarHBondContact O-N 2.79Å; L247-Y250 WeakPolarHBondContact O-CB 3.34Å; L247-Y250 PolarHBondContact O-N 3.44Å; Y250-I257 HydrophobicContact CD1-CG2 3.67Å; Y250-I257 HydrophobicContact CE1-CG2 3.56Å; Y250-I257 HydrophobicContact CG-CG2 4.43Å; Y250-H261 AromaticContact CE1-NE2 3.48Å; Y250-H261 WeakPolarHBondContact CE1-NE2 3.39Å; Y250-H261 AromaticContact CZ-NE2 3.76Å; Y250-H261 PolarHBondContact OH-NE2 3.49Å
251	R	90.4	Very high	95.5	Very high	27 Å²	27	28 Å²	28	10%	0.102	13%	0.13	C	C	.	.	H	α-helix	trans	-80	-39.5	178.7	-69.2	-173.9	-69.1	-101.8	7.5	113.9	L74 W75 L247 S248 A249 E492	L74-R251 HydrophobicContact CD1-CG 3.95Å; L74-R251 HydrophobicContact CG-CG 4.31Å; L74-R251 VanDerWaalsContact O-CD 3.27Å; L74-R251 WeakPolarHBondContact O-CD 3.43Å; L74-R251 PolarHBondContact O-NH1 3.48Å; W75-R251 HydrophobicContact CD2-CG 4.18Å; W75-R251 HydrophobicContact CE3-CG 4.44Å; W75-R251 HydrophobicContact CH2-CB 3.95Å; W75-R251 HydrophobicContact CH2-CG 3.91Å; W75-R251 HydrophobicContact CZ2-CB 3.83Å; W75-R251 HydrophobicContact CZ2-CG 3.59Å; W75-R251 VanDerWaalsContact CZ3-CD 3.49Å; W75-R251 HydrophobicContact CZ3-CG 4.33Å; L247-R251 WeakPolarHBondContact O-CG 3.45Å; L247-R251 PolarHBondContact O-N 3.23Å; S248-R251 PolarHBondContact O-N 3.22Å; S248-R251 VanDerWaalsContact O-N 3.11Å; S248-R251 PolarHBondContact OG-NH2 3.18Å; A249-R251 PolarHBondContact O-N 3.16Å; R251-E492 IonicContact CZ-OE1 3.08Å; R251-E492 IonicContact CZ-OE2 3.61Å; R251-E492 IonicContact NH1-OE1 2.65Å; R251-E492 PolarHBondContact NH1-OE1 3.17Å; R251-E492 VanDerWaalsContact NH1-OE1 3.08Å; R251-E492 IonicContact NH1-OE2 2.74Å; R251-E492 IonicContact NH2-OE1 2.86Å; R251-E492 PolarHBondContact NH2-OE1 3.43Å; R251-E492 IonicContact NH2-OE2 3.52Å; R251-E492 PolarHBondContact NH2-OE2 2.84Å
252	Y	93.5	Very high	95.5	Very high	22 Å²	22	33.3 Å²	33.3	9%	0.086	16%	0.158	C	C	.	.	H	α-helix	trans	-122.9	-18	-163.9	-55.3	-54.1	0	0	0	115.1	W75 I87 S248 A249 P426 A427 K430	W75-Y252 AromaticContact CH2-CE1 3.95Å; W75-Y252 HydrophobicContact CH2-CE1 3.95Å; I87-Y252 HydrophobicContact CD1-CE1 4.46Å; S248-Y252 WeakPolarHBondContact O-CD2 3.29Å; S248-Y252 PolarHBondContact O-N 3.39Å; A249-Y252 PolarHBondContact O-N 2.9Å; Y252-P426 HydrophobicContact CD2-CB 4.24Å; Y252-P426 VanDerWaalsContact CD2-O 3.27Å; Y252-P426 WeakPolarHBondContact CD2-O 3.32Å; Y252-P426 HydrophobicContact CE2-CB 4.23Å; Y252-P426 HydrophobicContact CE2-CG 4.27Å; Y252-A427 HydrophobicContact CD1-CB 4.18Å; Y252-A427 HydrophobicContact CE1-CB 3.7Å; Y252-A427 HydrophobicContact CE2-CB 4.1Å; Y252-K430 HydrophobicContact CD1-CG 4.28Å
253	L	96.7	Very high	95.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	16%	0.16	C	C	.	.			trans	-105.9	48.7	173.1	-64.1	179.6	0	0	0	110.6	I241 I244 A249 K255 T256 I257 A429 D433 L436	I241-L253 HydrophobicContact CD1-CD1 4.29Å; I244-L253 HydrophobicContact CD1-CD1 3.74Å; I244-L253 HydrophobicContact CD1-CG 3.86Å; A249-L253 HydrophobicContact CB-CD1 4.19Å; A249-L253 CarbonylContact O-C 3.58Å; A249-L253 WeakPolarHBondContact O-CA 3.21Å; A249-L253 WeakPolarHBondContact O-CB 3.41Å; A249-L253 PolarHBondContact O-N 3Å; L253-K255 PolarHBondContact O-N 2.84Å; L253-T256 PolarHBondContact O-N 3.26Å; L253-I257 HydrophobicContact CB-CG1 4.48Å; L253-I257 WeakPolarHBondContact O-CB 3.36Å; L253-I257 VanDerWaalsContact O-CG1 3.24Å; L253-I257 WeakPolarHBondContact O-CG1 3.28Å; L253-I257 PolarHBondContact O-N 3.15Å; L253-A429 HydrophobicContact CD2-CB 3.85Å; L253-A429 HydrophobicContact CG-CB 4.18Å; L253-D433 VanDerWaalsContact C-CG 3.44Å; L253-D433 VanDerWaalsContact CA-CG 3.45Å; L253-D433 VanDerWaalsContact CA-OD1 3.28Å; L253-D433 WeakPolarHBondContact CA-OD1 3.47Å; L253-D433 HydrophobicContact CD2-CB 3.87Å; L253-L436 HydrophobicContact CD1-CD2 4.18Å; L253-L436 HydrophobicContact CD2-CD2 4.23Å
254	T	96.5	Very high	95.9	Very high	76 Å²	76	38.4 Å²	38.4	47%	0.466	19%	0.185	S	C	.	.	H	α-helix	trans	-65.9	-40	-167.8	56.7	0	0	0	0	113	Q258 D433	T254-Q258 WeakPolarHBondContact O-CB 3.41Å; T254-Q258 PolarHBondContact O-N 3.08Å; T254-D433 PolarHBondContact N-OD2 2.77Å; T254-D433 VanDerWaalsContact N-OD2 3.09Å
255	K	98.5	Very high	95.9	Very high	94 Å²	94	45.1 Å²	45.1	41%	0.409	22%	0.216	S	C	.	.	H	α-helix	trans	-67.1	-40.8	177.1	-62	178.5	-178.4	-177.8	0	110.9	L253 F259 D433 E434 S437	L253-K255 PolarHBondContact O-N 2.84Å; K255-F259 WeakPolarHBondContact O-CB 3.43Å; K255-F259 PolarHBondContact O-N 2.85Å; K255-D433 VanDerWaalsContact CB-OD2 3.32Å; K255-D433 WeakPolarHBondContact CB-OD2 3.49Å; K255-D433 WeakPolarHBondContact CG-OD2 3.44Å; K255-D433 PolarHBondContact N-OD1 2.84Å; K255-D433 PolarHBondContact N-OD2 3.07Å; K255-E434 HydrophobicContact CD-CB 4.3Å; K255-E434 IonicContact NZ-OE2 3.52Å; K255-E434 PolarHBondContact NZ-OE2 3.09Å; K255-S437 PolarHBondContact O-OG 2.92Å
256	T	98.7	Very high	96.1	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-51.5	177.3	-56.3	0	0	0	0	110.4	L253 Q258 F259 L260 D433 L436 S437 L472	L253-T256 PolarHBondContact O-N 3.26Å; T256-Q258 PolarHBondContact O-N 2.87Å; T256-F259 PolarHBondContact O-N 3.37Å; T256-L260 HydrophobicContact CG2-CD1 4.22Å; T256-L260 HydrophobicContact CG2-CG 4.47Å; T256-L260 VanDerWaalsContact O-CG 3.32Å; T256-L260 WeakPolarHBondContact O-CG 2.88Å; T256-L260 PolarHBondContact O-N 3.42Å; T256-D433 VanDerWaalsContact CB-OD1 3.3Å; T256-D433 WeakPolarHBondContact CB-OD1 3.44Å; T256-D433 PolarHBondContact N-OD1 2.96Å; T256-D433 PolarHBondContact OG1-O 2.82Å; T256-D433 PolarHBondContact OG1-OD1 3.14Å; T256-L436 HydrophobicContact CG2-CD2 3.92Å; T256-L436 HydrophobicContact CG2-CG 4.03Å; T256-S437 PolarHBondContact OG1-N 3.27Å; T256-L472 HydrophobicContact CG2-CD2 4.05Å
257	I	98.3	Very high	96.3	Very high	9 Å²	9	44.1 Å²	44.1	5%	0.046	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-43.8	178.8	-69.4	-69.3	0	0	0	111.7	A249 Y250 L253 F259 L260 H261 F497	A249-I257 HydrophobicContact CB-CD1 4.18Å; A249-I257 HydrophobicContact CB-CG1 4.46Å; Y250-I257 HydrophobicContact CD1-CG2 3.67Å; Y250-I257 HydrophobicContact CE1-CG2 3.56Å; Y250-I257 HydrophobicContact CG-CG2 4.43Å; L253-I257 HydrophobicContact CB-CG1 4.48Å; L253-I257 WeakPolarHBondContact O-CB 3.36Å; L253-I257 VanDerWaalsContact O-CG1 3.24Å; L253-I257 WeakPolarHBondContact O-CG1 3.28Å; L253-I257 PolarHBondContact O-N 3.15Å; I257-F259 VanDerWaalsContact C-N 3.32Å; I257-F259 PolarHBondContact O-N 3.26Å; I257-L260 HydrophobicContact CD1-CD1 4.49Å; I257-L260 PolarHBondContact O-N 2.94Å; I257-H261 PolarHBondContact O-CD2 2.67Å; I257-H261 VanDerWaalsContact O-CD2 3.25Å; I257-H261 PolarHBondContact O-N 3.18Å; I257-F497 HydrophobicContact CD1-CD2 4.29Å; I257-F497 HydrophobicContact CD1-CE2 3.46Å; I257-F497 VanDerWaalsContact CD1-CE2 3.46Å; I257-F497 HydrophobicContact CD1-CZ 3.75Å
258	Q	98.2	Very high	96.6	Very high	124 Å²	124	43.7 Å²	43.7	58%	0.579	21%	0.213	S	C	*	.	H	α-helix	trans	-59.4	-44.9	176.2	-176.9	179.1	7	0	0	111.3	T254 T256 H261 N262	T254-Q258 WeakPolarHBondContact O-CB 3.41Å; T254-Q258 PolarHBondContact O-N 3.08Å; T256-Q258 PolarHBondContact O-N 2.87Å; Q258-H261 PolarHBondContact O-N 3.38Å; Q258-N262 VanDerWaalsContact O-CG 3.23Å; Q258-N262 PolarHBondContact O-N 2.88Å; Q258-N262 PolarHBondContact O-OD1 2.91Å
259	F	98.7	Very high	97	Very high	15 Å²	15	44.6 Å²	44.6	7%	0.066	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-45.5	177.7	-174.5	-108	0	0	0	112	K255 T256 I257 H261 N262 I263 I440 Q441 Y444 Y445	K255-F259 WeakPolarHBondContact O-CB 3.43Å; K255-F259 PolarHBondContact O-N 2.85Å; T256-F259 PolarHBondContact O-N 3.37Å; I257-F259 VanDerWaalsContact C-N 3.32Å; I257-F259 PolarHBondContact O-N 3.26Å; F259-H261 PolarHBondContact O-N 3.05Å; F259-N262 WeakPolarHBondContact O-CA 3.21Å; F259-N262 WeakPolarHBondContact O-CB 3.27Å; F259-N262 PolarHBondContact O-N 3.33Å; F259-I263 HydrophobicContact CD1-CD1 4.23Å; F259-I263 HydrophobicContact CD1-CG1 4.39Å; F259-I263 HydrophobicContact CE1-CD1 3.7Å; F259-I263 HydrophobicContact CE1-CG1 4.14Å; F259-I263 HydrophobicContact CE1-CG2 4.35Å; F259-I263 HydrophobicContact CE2-CG2 4.12Å; F259-I263 HydrophobicContact CZ-CD1 4.27Å; F259-I263 HydrophobicContact CZ-CG1 4.48Å; F259-I263 HydrophobicContact CZ-CG2 3.86Å; F259-I263 WeakPolarHBondContact O-CG1 3.27Å; F259-I263 PolarHBondContact O-N 3.01Å; F259-I263 VanDerWaalsContact O-N 3.11Å; F259-I440 HydrophobicContact CD1-CB 4.45Å; F259-I440 HydrophobicContact CD1-CG2 3.83Å; F259-I440 HydrophobicContact CE1-CG2 3.88Å; F259-Q441 HydrophobicContact CD1-CG 3.79Å; F259-Q441 HydrophobicContact CD2-CG 3.62Å; F259-Q441 HydrophobicContact CE1-CB 4.29Å; F259-Q441 HydrophobicContact CE1-CG 3.68Å; F259-Q441 HydrophobicContact CE2-CG 3.53Å; F259-Q441 HydrophobicContact CG-CG 3.76Å; F259-Q441 HydrophobicContact CZ-CB 4.17Å; F259-Q441 HydrophobicContact CZ-CG 3.56Å; F259-Y444 AromaticContact CZ-CD1 3.87Å; F259-Y444 HydrophobicContact CZ-CD1 3.87Å; F259-Y444 HydrophobicContact CZ-CG 4.15Å; F259-Y445 HydrophobicContact CE2-CE2 4.34Å; F259-Y445 HydrophobicContact CZ-CE2 4.38Å
260	L	98.6	Very high	97.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-56	-39	176.2	-68.7	176.8	0	0	0	112.3	T256 I257 I263 N264 T267 I440 L472 F497 I501	T256-L260 HydrophobicContact CG2-CD1 4.22Å; T256-L260 HydrophobicContact CG2-CG 4.47Å; T256-L260 VanDerWaalsContact O-CG 3.32Å; T256-L260 WeakPolarHBondContact O-CG 2.88Å; T256-L260 PolarHBondContact O-N 3.42Å; I257-L260 HydrophobicContact CD1-CD1 4.49Å; I257-L260 PolarHBondContact O-N 2.94Å; L260-I263 CarbonylContact O-C 3.46Å; L260-I263 PolarHBondContact O-N 2.94Å; L260-N264 PolarHBondContact O-N 3.47Å; L260-T267 HydrophobicContact CB-CG2 4Å; L260-T267 HydrophobicContact CD2-CG2 3.76Å; L260-T267 HydrophobicContact CG-CG2 4.35Å; L260-I440 HydrophobicContact CD2-CG2 4.17Å; L260-L472 HydrophobicContact CD1-CD2 4.44Å; L260-F497 HydrophobicContact CD1-CE1 4.46Å; L260-F497 HydrophobicContact CD1-CZ 3.76Å; L260-I501 HydrophobicContact CD2-CD1 3.51Å; L260-I501 HydrophobicContact CD2-CG1 3.99Å
261	H	97.8	Very high	97.1	Very high	90 Å²	90	43.6 Å²	43.6	42%	0.417	22%	0.216	S	C	.	.	H	α-helix	trans	-68.3	-36.9	173.8	-78.8	-54.4	0	0	0	113.3	Y250 I257 Q258 F259 I263 N264	Y250-H261 AromaticContact CE1-NE2 3.48Å; Y250-H261 WeakPolarHBondContact CE1-NE2 3.39Å; Y250-H261 AromaticContact CZ-NE2 3.76Å; Y250-H261 PolarHBondContact OH-NE2 3.49Å; I257-H261 PolarHBondContact O-CD2 2.67Å; I257-H261 VanDerWaalsContact O-CD2 3.25Å; I257-H261 PolarHBondContact O-N 3.18Å; Q258-H261 PolarHBondContact O-N 3.38Å; F259-H261 PolarHBondContact O-N 3.05Å; H261-I263 PolarHBondContact O-N 2.93Å; H261-N264 WeakPolarHBondContact O-CB 3.28Å; H261-N264 PolarHBondContact O-N 3.49Å
262	N	98.3	Very high	97.4	Very high	114 Å²	114	42.9 Å²	42.9	61%	0.61	22%	0.215	S	C	*	.	H	α-helix	trans	-65.2	-27.5	176.3	-66.6	-12.7	0	0	0	112.6	Q258 F259	Q258-N262 VanDerWaalsContact O-CG 3.23Å; Q258-N262 PolarHBondContact O-N 2.88Å; Q258-N262 PolarHBondContact O-OD1 2.91Å; F259-N262 WeakPolarHBondContact O-CA 3.21Å; F259-N262 WeakPolarHBondContact O-CB 3.27Å; F259-N262 PolarHBondContact O-N 3.33Å
263	I	97.9	Very high	97.6	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.046	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	35.8	177.3	61	155.8	0	0	0	112.3	F259 L260 H261 E265 S266 T267 Y444 I501	F259-I263 HydrophobicContact CD1-CD1 4.23Å; F259-I263 HydrophobicContact CD1-CG1 4.39Å; F259-I263 HydrophobicContact CE1-CD1 3.7Å; F259-I263 HydrophobicContact CE1-CG1 4.14Å; F259-I263 HydrophobicContact CE1-CG2 4.35Å; F259-I263 HydrophobicContact CE2-CG2 4.12Å; F259-I263 HydrophobicContact CZ-CD1 4.27Å; F259-I263 HydrophobicContact CZ-CG1 4.48Å; F259-I263 HydrophobicContact CZ-CG2 3.86Å; F259-I263 WeakPolarHBondContact O-CG1 3.27Å; F259-I263 PolarHBondContact O-N 3.01Å; F259-I263 VanDerWaalsContact O-N 3.11Å; L260-I263 CarbonylContact O-C 3.46Å; L260-I263 PolarHBondContact O-N 2.94Å; H261-I263 PolarHBondContact O-N 2.93Å; I263-E265 PolarHBondContact O-N 3.41Å; I263-E265 VanDerWaalsContact O-N 3.14Å; I263-S266 CarbonylContact O-C 3.52Å; I263-S266 PolarHBondContact O-N 3.38Å; I263-T267 VanDerWaalsContact CD1-OG1 3.27Å; I263-T267 WeakPolarHBondContact CD1-OG1 3.32Å; I263-T267 WeakPolarHBondContact CG1-OG1 3.46Å; I263-T267 WeakPolarHBondContact O-CB 3.26Å; I263-T267 PolarHBondContact O-N 3.4Å; I263-T267 PolarHBondContact O-OG1 3.36Å; I263-T267 VanDerWaalsContact O-OG1 3.14Å; I263-Y444 HydrophobicContact CB-CD2 4.36Å; I263-Y444 HydrophobicContact CB-CE2 4.02Å; I263-Y444 HydrophobicContact CD1-CD2 3.9Å; I263-Y444 HydrophobicContact CD1-CE2 4.38Å; I263-Y444 HydrophobicContact CD1-CG 4.21Å; I263-Y444 HydrophobicContact CG2-CD1 3.95Å; I263-Y444 HydrophobicContact CG2-CD2 4.11Å; I263-Y444 HydrophobicContact CG2-CE1 3.57Å; I263-Y444 HydrophobicContact CG2-CE2 3.77Å; I263-Y444 HydrophobicContact CG2-CG 4.19Å; I263-Y444 VanDerWaalsContact CG2-CZ 3.46Å; I263-I501 HydrophobicContact CD1-CG2 4.09Å
264	N	95.9	Very high	97.6	Very high	102 Å²	102	41.8 Å²	41.8	55%	0.545	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.2	-177.7	63.5	-3.5	0	0	0	114.7	L260 H261 S266	L260-N264 PolarHBondContact O-N 3.47Å; H261-N264 WeakPolarHBondContact O-CB 3.28Å; H261-N264 PolarHBondContact O-N 3.49Å; N264-S266 PolarHBondContact O-N 2.94Å
265	E	96	Very high	97.7	Very high	141 Å²	141	38.2 Å²	38.2	66%	0.659	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-35.1	173.9	-66.7	-172.2	165.5	0	0	111.9	I263 Q507 W514 K518	I263-E265 PolarHBondContact O-N 3.41Å; I263-E265 VanDerWaalsContact O-N 3.14Å; E265-Q507 PolarHBondContact O-OE1 2.96Å; E265-W514 WeakPolarHBondContact O-CZ2 2.81Å; E265-W514 PolarHBondContact O-NE1 3.1Å; E265-K518 WeakPolarHBondContact O-CE 3.12Å; E265-K518 PolarHBondContact O-NZ 3.37Å
266	S	98.2	Very high	97.6	Very high	11 Å²	11	34 Å²	34	8%	0.077	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-5.9	-177.3	-57.6	0	0	0	0	113.6	I263 N264 I501 A502 Q507 W514	I263-S266 CarbonylContact O-C 3.52Å; I263-S266 PolarHBondContact O-N 3.38Å; N264-S266 PolarHBondContact O-N 2.94Å; S266-I501 CarbonylContact O-C 3.47Å; S266-I501 WeakPolarHBondContact O-CA 3.22Å; S266-A502 PolarHBondContact O-N 3.49Å; S266-Q507 PolarHBondContact OG-NE2 2.84Å; S266-W514 VanDerWaalsContact C-CZ2 3.5Å; S266-W514 WeakPolarHBondContact O-CH2 3.15Å
267	T	98.6	Very high	97.4	Very high	11 Å²	11	34.1 Å²	34.1	7%	0.067	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.7	-171.7	-58.3	0	0	0	0	111.6	L260 I263 I500 I501	L260-T267 HydrophobicContact CB-CG2 4Å; L260-T267 HydrophobicContact CD2-CG2 3.76Å; L260-T267 HydrophobicContact CG-CG2 4.35Å; I263-T267 VanDerWaalsContact CD1-OG1 3.27Å; I263-T267 WeakPolarHBondContact CD1-OG1 3.32Å; I263-T267 WeakPolarHBondContact CG1-OG1 3.46Å; I263-T267 WeakPolarHBondContact O-CB 3.26Å; I263-T267 PolarHBondContact O-N 3.4Å; I263-T267 PolarHBondContact O-OG1 3.36Å; I263-T267 VanDerWaalsContact O-OG1 3.14Å; T267-I500 CarbonylContact C-O 3.46Å; T267-I500 WeakPolarHBondContact CA-O 3.41Å; T267-I501 HydrophobicContact CG2-CG1 4.28Å
268	I	98.5	Very high	97	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.5	170.5	-57.7	162.4	0	0	0	108.2	M270 S499 I500 W514 M517 K518 Q521	I268-M270 HydrophobicContact CB-SD 4.49Å; I268-M270 HydrophobicContact CG2-SD 3.53Å; I268-M270 VanDerWaalsContact CG2-SD 3.53Å; I268-S499 CarbonylContact O-C 3.54Å; I268-S499 WeakPolarHBondContact O-CA 3.24Å; I268-S499 WeakPolarHBondContact O-CB 3.39Å; I268-I500 PolarHBondContact N-O 2.99Å; I268-I500 PolarHBondContact O-N 2.81Å; I268-W514 HydrophobicContact CD1-CD2 4.49Å; I268-W514 HydrophobicContact CD1-CE3 3.85Å; I268-W514 HydrophobicContact CD1-CH2 3.4Å; I268-W514 VanDerWaalsContact CD1-CH2 3.4Å; I268-W514 HydrophobicContact CD1-CZ2 4.09Å; I268-W514 HydrophobicContact CD1-CZ3 3.26Å; I268-W514 HydrophobicContact CG1-CH2 3.53Å; I268-W514 HydrophobicContact CG1-CZ2 4.06Å; I268-W514 HydrophobicContact CG1-CZ3 3.96Å; I268-M517 HydrophobicContact CD1-CB 3.64Å; I268-K518 HydrophobicContact CD1-CB 4.37Å; I268-K518 HydrophobicContact CD1-CG 3.74Å; I268-K518 HydrophobicContact CG1-CG 3.86Å; I268-Q521 HydrophobicContact CG2-CB 3.64Å
269	I	98.3	Very high	96.6	Very high	18 Å²	18	28.4 Å²	28.4	9%	0.092	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.6	167.1	-63.3	174.6	0	0	0	107.4	N271 F497	I269-N271 PolarHBondContact O-N 2.77Å; I269-F497 HydrophobicContact CG2-CE2 4.21Å
270	M	97.7	Very high	96.4	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.147	C	C	.	.			trans	-86.7	97.4	-177.7	-55.7	-58.8	-87.5	0	0	109.1	I268 L272 M498 I500 N520 I525 L586	I268-M270 HydrophobicContact CB-SD 4.49Å; I268-M270 HydrophobicContact CG2-SD 3.53Å; I268-M270 VanDerWaalsContact CG2-SD 3.53Å; M270-L272 VanDerWaalsContact C-N 3.28Å; M270-L272 PolarHBondContact O-N 2.9Å; M270-M498 HydrophobicContact CB-CB 4.29Å; M270-M498 HydrophobicContact CB-CG 4.31Å; M270-M498 HydrophobicContact CB-SD 4.3Å; M270-M498 HydrophobicContact CG-CG 4.07Å; M270-M498 HydrophobicContact CG-SD 3.98Å; M270-M498 PolarHBondContact N-O 3.01Å; M270-I500 HydrophobicContact CG-CD1 4.37Å; M270-I500 HydrophobicContact SD-CD1 4.33Å; M270-N520 HydrophobicContact CE-CB 4.33Å; M270-I525 HydrophobicContact CB-CD1 4.06Å; M270-I525 HydrophobicContact CE-CD1 3.35Å; M270-I525 HydrophobicContact CE-CG1 3.97Å; M270-I525 HydrophobicContact CE-CG2 4.43Å; M270-I525 HydrophobicContact CG-CD1 3.99Å; M270-L586 HydrophobicContact CE-CD1 3.75Å; M270-L586 HydrophobicContact CE-CD2 4.28Å
271	N	94.3	Very high	96.3	Very high	41 Å²	41	28.4 Å²	28.4	22%	0.219	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-20.7	-170	-67.9	-46.8	0	0	0	114.1	I269 Q521 N522	I269-N271 PolarHBondContact O-N 2.77Å; N271-Q521 PolarHBondContact N-O 3.1Å; N271-N522 PolarHBondContact ND2-OD1 3.41Å
272	L	95.3	Very high	96.2	Very high	12 Å²	12	25 Å²	25	6%	0.063	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	30.1	-177	-148.6	67.7	0	0	0	111.8	C67 I69 M270 N274 L524 I525	C67-L272 HydrophobicContact CB-CD2 3.97Å; C67-L272 WeakPolarHBondContact O-CD2 3.45Å; I69-L272 HydrophobicContact CB-CD1 4.31Å; I69-L272 HydrophobicContact CD1-CD1 3.97Å; I69-L272 HydrophobicContact CG1-CD1 3.89Å; I69-L272 HydrophobicContact CG2-CD1 3.57Å; M270-L272 VanDerWaalsContact C-N 3.28Å; M270-L272 PolarHBondContact O-N 2.9Å; L272-N274 PolarHBondContact O-N 3.43Å; L272-L524 HydrophobicContact CD2-CB 4.24Å; L272-I525 PolarHBondContact O-N 2.86Å
273	Y	98.1	Very high	96.1	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-70.1	121.6	167.5	165.8	-132	0	0	0	110	S474 P496 M498 I525 L527	Y273-S474 VanDerWaalsContact CE1-O 3.25Å; Y273-S474 WeakPolarHBondContact CE1-O 3.02Å; Y273-S474 PolarHBondContact OH-O 3.03Å; Y273-P496 HydrophobicContact CD1-CB 4.15Å; Y273-P496 HydrophobicContact CD1-CG 3.68Å; Y273-P496 HydrophobicContact CE1-CB 3.69Å; Y273-P496 HydrophobicContact CE1-CG 3.27Å; Y273-P496 HydrophobicContact CE2-CG 4.49Å; Y273-P496 HydrophobicContact CG-CG 4.47Å; Y273-M498 HydrophobicContact CD1-CB 3.29Å; Y273-M498 HydrophobicContact CD1-CE 3.85Å; Y273-M498 HydrophobicContact CD1-CG 4.31Å; Y273-M498 HydrophobicContact CD1-SD 4.23Å; Y273-M498 HydrophobicContact CD2-CE 3.81Å; Y273-M498 HydrophobicContact CD2-SD 4.3Å; Y273-M498 HydrophobicContact CE1-CB 3.81Å; Y273-M498 HydrophobicContact CE1-CE 3.61Å; Y273-M498 HydrophobicContact CE2-CE 3.65Å; Y273-M498 HydrophobicContact CG-CB 3.93Å; Y273-M498 HydrophobicContact CG-CE 3.93Å; Y273-M498 HydrophobicContact CG-SD 4.08Å; Y273-I525 WeakPolarHBondContact CA-O 3.32Å; Y273-L527 HydrophobicContact CE2-CD2 4.2Å; Y273-L527 HydrophobicContact CE2-CG 3.88Å; Y273-L527 WeakPolarHBondContact OH-CD1 3.26Å; Y273-L527 VanDerWaalsContact OH-CG 3.28Å; Y273-L527 WeakPolarHBondContact OH-CG 3.35Å
274	N	98	Very high	96.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.			trans	-118	146.7	-176.5	-158	86.2	0	0	0	111.8	L272 R494 L524 I525 I601 W605 V607	L272-N274 PolarHBondContact O-N 3.43Å; N274-R494 VanDerWaalsContact CA-O 3.31Å; N274-R494 WeakPolarHBondContact CA-O 3.22Å; N274-R494 PolarHBondContact OD1-O 3.32Å; N274-L524 HydrophobicContact CB-CD1 3.88Å; N274-I525 PolarHBondContact N-O 3.38Å; N274-I601 HydrophobicContact CB-CD1 3.89Å; N274-W605 PolarHBondContact ND2-O 2.95Å; N274-V607 WeakPolarHBondContact OD1-CG1 3.22Å; N274-V607 WeakPolarHBondContact OD1-CG2 3.29Å
275	V	97.8	Very high	96.3	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	8%	0.076	C	C	.	.			trans	-67.5	158.5	170	-56.4	0	0	0	0	111.5	D475 H476 R494 P496 W605	V275-D475 WeakPolarHBondContact CG1-O 3.43Å; V275-H476 HydrophobicContact CG1-CB 3.78Å; V275-R494 HydrophobicContact CG2-CB 4.11Å; V275-R494 HydrophobicContact CG2-CG 3.89Å; V275-R494 PolarHBondContact N-O 3.17Å; V275-R494 VanDerWaalsContact N-O 3.1Å; V275-P496 HydrophobicContact CG1-CG 3.73Å; V275-W605 HydrophobicContact CG2-CB 4.33Å; V275-W605 HydrophobicContact CG2-CD2 4.18Å; V275-W605 HydrophobicContact CG2-CE3 3.61Å; V275-W605 HydrophobicContact CG2-CG 4.48Å; V275-W605 HydrophobicContact CG2-CZ3 4.37Å
276	I	96.4	Very high	96.4	Very high	6 Å²	6	7.6 Å²	7.6	3%	0.031	5%	0.045	C	C	.	.			trans	-110	-14.3	174.8	54	166.4	0	0	0	112.8	V282 N283 T526 F528 I601	I276-V282 HydrophobicContact CD1-CG1 4.39Å; I276-V282 HydrophobicContact CG1-CG1 4.36Å; I276-N283 WeakPolarHBondContact CG1-OD1 3.4Å; I276-N283 PolarHBondContact N-OD1 3.03Å; I276-T526 HydrophobicContact CG2-CG2 3.6Å; I276-F528 HydrophobicContact CB-CE2 4.11Å; I276-F528 HydrophobicContact CD1-CD2 4.16Å; I276-F528 HydrophobicContact CD1-CE1 3.93Å; I276-F528 HydrophobicContact CD1-CE2 3.49Å; I276-F528 VanDerWaalsContact CD1-CE2 3.49Å; I276-F528 HydrophobicContact CD1-CZ 3.35Å; I276-F528 HydrophobicContact CG1-CE2 4.39Å; I276-F528 HydrophobicContact CG2-CD2 3.87Å; I276-F528 HydrophobicContact CG2-CE2 3.72Å; I276-I601 HydrophobicContact CG2-CG1 4.29Å
277	G	93.6	Very high	96.4	Very high	4 Å²	4	7.1 Å²	7.1	4%	0.041	4%	0.041	C	C	.	.	S	Bend	trans	-168.1	-176.8	-176.1	0	0	0	0	0	114.5	G279 N283	G277-G279 PolarHBondContact O-N 2.99Å; G277-N283 PolarHBondContact O-ND2 3.42Å
278	D	90.7	Very high	96.4	Very high	11 Å²	11	6.6 Å²	6.6	6%	0.059	4%	0.038	C	C	.	.	S	Bend	trans	-76.4	112.1	-177.7	-165.3	-46	0	0	0	111.8	R479 W605 S675	D278-R479 VanDerWaalsContact CG-CZ 3.46Å; D278-R479 IonicContact OD1-CZ 3.78Å; D278-R479 IonicContact OD1-NE 2.66Å; D278-R479 IonicContact OD1-NH1 3.68Å; D278-R479 PolarHBondContact OD1-NH1 3.27Å; D278-R479 IonicContact OD1-NH2 3.26Å; D278-R479 PolarHBondContact OD1-NH2 3.35Å; D278-R479 IonicContact OD2-CZ 2.8Å; D278-R479 IonicContact OD2-NH1 3.69Å; D278-R479 IonicContact OD2-NH2 3.68Å; D278-R479 PolarHBondContact OD2-NH2 3.33Å; D278-W605 HydrophobicContact CB-CH2 4.08Å; D278-W605 HydrophobicContact CB-CZ2 3.61Å; D278-S675 VanDerWaalsContact CG-OG 3.31Å; D278-S675 PolarHBondContact OD2-OG 2.93Å
279	G	90.8	Very high	96.4	Very high	3 Å²	3	6.5 Å²	6.5	3%	0.031	4%	0.037	C	C	.	.	H	α-helix	trans	79.3	-174.9	167.8	0	0	0	0	0	114.4	G277 N283 H476	G277-G279 PolarHBondContact O-N 2.99Å; G279-N283 PolarHBondContact O-ND2 2.9Å; G279-H476 VanDerWaalsContact C-CD2 3.41Å; G279-H476 WeakPolarHBondContact CA-CD2 3.49Å; G279-H476 WeakPolarHBondContact CA-NE2 3.36Å
280	T	94.4	Very high	96.4	Very high	13 Å²	13	5.6 Å²	5.6	8%	0.08	3%	0.033	C	C	.	.	H	α-helix	trans	-63.7	-45.3	-171.3	-43.5	0	0	0	0	114.1	D242 V282 N283 L284 T347 F417 D475	D242-T280 PolarHBondContact OD2-OG1 3.09Å; T280-V282 PolarHBondContact O-N 2.72Å; T280-N283 PolarHBondContact O-N 2.72Å; T280-L284 HydrophobicContact CG2-CD1 3.66Å; T280-L284 HydrophobicContact CG2-CG 3.87Å; T280-L284 WeakPolarHBondContact O-CB 3.5Å; T280-L284 PolarHBondContact O-N 3.14Å; T280-T347 HydrophobicContact CG2-CG2 3.9Å; T280-T347 VanDerWaalsContact CG2-OG1 3.24Å; T280-T347 WeakPolarHBondContact CG2-OG1 3.3Å; T280-F417 HydrophobicContact CG2-CD1 4.38Å; T280-F417 HydrophobicContact CG2-CE1 3.46Å; T280-F417 VanDerWaalsContact CG2-CE1 3.46Å; T280-F417 HydrophobicContact CG2-CZ 3.64Å; T280-D475 WeakPolarHBondContact CA-OD2 2.99Å; T280-D475 WeakPolarHBondContact CB-OD2 3.42Å; T280-D475 HydrophobicContact CG2-CB 4.34Å; T280-D475 VanDerWaalsContact CG2-OD2 3.32Å; T280-D475 WeakPolarHBondContact CG2-OD2 3.42Å; T280-D475 PolarHBondContact OG1-OD2 3.24Å
281	T	95.3	Very high	96.4	Very high	4 Å²	4	6.4 Å²	6.4	3%	0.025	4%	0.037	C	C	.	.	H	α-helix	trans	-57.7	-51.2	-172	-53.7	0	0	0	0	112.2	N283 L285 T347 L352	T281-N283 PolarHBondContact O-N 3.43Å; T281-L285 HydrophobicContact CG2-CD1 3.92Å; T281-L285 HydrophobicContact CG2-CG 4.4Å; T281-L285 VanDerWaalsContact O-CB 3.31Å; T281-L285 WeakPolarHBondContact O-CB 3.33Å; T281-L285 WeakPolarHBondContact O-CG 3.4Å; T281-L285 PolarHBondContact O-N 3.26Å; T281-T347 PolarHBondContact OG1-O 3.48Å; T281-L352 HydrophobicContact CG2-CD1 3.67Å; T281-L352 HydrophobicContact CG2-CD2 4.38Å; T281-L352 HydrophobicContact CG2-CG 3.96Å
282	V	95.5	Very high	96.5	Very high	18 Å²	18	6.6 Å²	6.6	11%	0.109	4%	0.037	C	C	.	.	H	α-helix	trans	-65.7	-43.8	-177.1	-176.4	0	0	0	0	110.9	I276 T280 L285 G286	I276-V282 HydrophobicContact CD1-CG1 4.39Å; I276-V282 HydrophobicContact CG1-CG1 4.36Å; T280-V282 PolarHBondContact O-N 2.72Å; V282-L285 PolarHBondContact O-N 2.89Å; V282-G286 PolarHBondContact O-N 3.42Å
283	N	97.6	Very high	96.5	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-66	-46.1	-179.4	-72	-63.2	0	0	0	111.6	I276 G277 G279 T280 T281 G286 L287 D475 L527	I276-N283 WeakPolarHBondContact CG1-OD1 3.4Å; I276-N283 PolarHBondContact N-OD1 3.03Å; G277-N283 PolarHBondContact O-ND2 3.42Å; G279-N283 PolarHBondContact O-ND2 2.9Å; T280-N283 PolarHBondContact O-N 2.72Å; T281-N283 PolarHBondContact O-N 3.43Å; N283-G286 PolarHBondContact O-N 2.78Å; N283-L287 PolarHBondContact O-N 3.11Å; N283-L287 VanDerWaalsContact O-N 3.11Å; N283-D475 HydrophobicContact CB-CB 4.21Å; N283-D475 VanDerWaalsContact CG-O 3.24Å; N283-D475 PolarHBondContact ND2-O 3.27Å; N283-L527 HydrophobicContact CB-CD1 3.85Å; N283-L527 WeakPolarHBondContact O-CD1 3.34Å
284	L	98.1	Very high	96.3	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-70.5	-32.6	177.2	-69.5	-164.4	0	0	0	113.1	T280 G286 L287 L288 T347 F348 F417 F473	T280-L284 HydrophobicContact CG2-CD1 3.66Å; T280-L284 HydrophobicContact CG2-CG 3.87Å; T280-L284 WeakPolarHBondContact O-CB 3.5Å; T280-L284 PolarHBondContact O-N 3.14Å; L284-G286 VanDerWaalsContact C-N 3.35Å; L284-L287 HydrophobicContact CD2-CD2 4.18Å; L284-L287 WeakPolarHBondContact O-CB 3.16Å; L284-L287 PolarHBondContact O-N 3.34Å; L284-L288 HydrophobicContact CB-CD1 4.29Å; L284-L288 VanDerWaalsContact O-CB 3.27Å; L284-L288 WeakPolarHBondContact O-CB 3.39Å; L284-L288 WeakPolarHBondContact O-CD1 3.19Å; L284-L288 WeakPolarHBondContact O-CG 3.41Å; L284-L288 PolarHBondContact O-N 2.8Å; L284-T347 HydrophobicContact CB-CG2 4.21Å; L284-T347 HydrophobicContact CD1-CG2 3.94Å; L284-T347 HydrophobicContact CG-CG2 4.48Å; L284-F348 HydrophobicContact CB-CZ 4.31Å; L284-F417 HydrophobicContact CD1-CD1 4.37Å; L284-F417 HydrophobicContact CD1-CD2 3.89Å; L284-F417 HydrophobicContact CD1-CE1 4.26Å; L284-F417 HydrophobicContact CD1-CE2 3.81Å; L284-F417 HydrophobicContact CD1-CG 4.2Å; L284-F417 HydrophobicContact CD1-CZ 4Å; L284-F417 HydrophobicContact CD2-CD2 4.39Å; L284-F417 HydrophobicContact CD2-CE2 3.91Å; L284-F417 HydrophobicContact CG-CE2 4.27Å; L284-F417 HydrophobicContact CG-CZ 4.47Å; L284-F473 HydrophobicContact CD2-CE2 3.63Å; L284-F473 HydrophobicContact CD2-CZ 3.71Å
285	L	98.3	Very high	96.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.1	-46.1	169.6	-74.6	174.9	0	0	0	110.5	T281 V282 L287 L288 T289 E293 L296 Y321 W323 F348 L352	T281-L285 HydrophobicContact CG2-CD1 3.92Å; T281-L285 HydrophobicContact CG2-CG 4.4Å; T281-L285 VanDerWaalsContact O-CB 3.31Å; T281-L285 WeakPolarHBondContact O-CB 3.33Å; T281-L285 WeakPolarHBondContact O-CG 3.4Å; T281-L285 PolarHBondContact O-N 3.26Å; V282-L285 PolarHBondContact O-N 2.89Å; L285-L287 VanDerWaalsContact C-N 3.26Å; L285-L287 PolarHBondContact O-N 3.28Å; L285-L288 PolarHBondContact O-N 2.84Å; L285-T289 HydrophobicContact CD2-CG2 4.23Å; L285-T289 PolarHBondContact O-N 2.61Å; L285-T289 PolarHBondContact O-OG1 3.5Å; L285-E293 HydrophobicContact CD1-CB 3.83Å; L285-E293 HydrophobicContact CD1-CG 3.63Å; L285-L296 HydrophobicContact CB-CD1 4.39Å; L285-L296 HydrophobicContact CD1-CD1 4.14Å; L285-L296 HydrophobicContact CD2-CD1 3.9Å; L285-L296 HydrophobicContact CG-CD1 4.38Å; L285-Y321 HydrophobicContact CD2-CD2 4.04Å; L285-Y321 HydrophobicContact CD2-CE2 3.96Å; L285-W323 HydrophobicContact CD2-CH2 3.75Å; L285-W323 HydrophobicContact CD2-CZ3 3.97Å; L285-F348 HydrophobicContact CD2-CD1 4.43Å; L285-F348 HydrophobicContact CD2-CE1 3.94Å; L285-F348 HydrophobicContact CG-CE1 4.3Å; L285-L352 HydrophobicContact CD1-CD1 4.24Å
286	G	98.4	Very high	96.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-56.7	-38.8	175.8	0	0	0	0	0	113.7	V282 N283 L284 G290 F528	V282-G286 PolarHBondContact O-N 3.42Å; N283-G286 PolarHBondContact O-N 2.78Å; L284-G286 VanDerWaalsContact C-N 3.35Å; G286-G290 VanDerWaalsContact O-CA 3.24Å; G286-G290 WeakPolarHBondContact O-CA 3.43Å; G286-G290 PolarHBondContact O-N 3.1Å; G286-G290 VanDerWaalsContact O-N 3.16Å; G286-F528 WeakPolarHBondContact O-CD1 3.36Å
287	L	98.7	Very high	96	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-66.2	-44.1	173.1	178.3	57.1	0	0	0	113	L238 N283 L284 L285 F473 L527 I530 H531 L534	L238-L287 HydrophobicContact CD1-CD2 4.12Å; L238-L287 HydrophobicContact CD1-CG 4.5Å; N283-L287 PolarHBondContact O-N 3.11Å; N283-L287 VanDerWaalsContact O-N 3.11Å; L284-L287 HydrophobicContact CD2-CD2 4.18Å; L284-L287 WeakPolarHBondContact O-CB 3.16Å; L284-L287 PolarHBondContact O-N 3.34Å; L285-L287 VanDerWaalsContact C-N 3.26Å; L285-L287 PolarHBondContact O-N 3.28Å; L287-F473 HydrophobicContact CD2-CE1 4.19Å; L287-F473 HydrophobicContact CD2-CE2 3.94Å; L287-F473 HydrophobicContact CD2-CZ 3.54Å; L287-L527 HydrophobicContact CB-CB 3.94Å; L287-L527 HydrophobicContact CB-CD1 4.23Å; L287-L527 HydrophobicContact CB-CD2 4.26Å; L287-L527 HydrophobicContact CB-CG 4.36Å; L287-L527 HydrophobicContact CD1-CD2 4.15Å; L287-L527 HydrophobicContact CD2-CD2 4.23Å; L287-L527 HydrophobicContact CG-CD2 4.45Å; L287-I530 HydrophobicContact CD1-CB 3.77Å; L287-I530 HydrophobicContact CD1-CG2 3.42Å; L287-I530 VanDerWaalsContact CD1-CG2 3.42Å; L287-H531 VanDerWaalsContact O-CB 3.25Å; L287-H531 WeakPolarHBondContact O-CB 3.32Å; L287-H531 PolarHBondContact O-ND1 2.65Å; L287-L534 HydrophobicContact CD1-CD1 4.48Å
288	L	98.8	Very high	96	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-96.4	-21.2	-163.5	-63.1	167.1	0	0	0	113.5	L238 L284 L285 W323 I324 W325 F348 L415	L238-L288 HydrophobicContact CD1-CD2 4.4Å; L284-L288 HydrophobicContact CB-CD1 4.29Å; L284-L288 VanDerWaalsContact O-CB 3.27Å; L284-L288 WeakPolarHBondContact O-CB 3.39Å; L284-L288 WeakPolarHBondContact O-CD1 3.19Å; L284-L288 WeakPolarHBondContact O-CG 3.41Å; L284-L288 PolarHBondContact O-N 2.8Å; L285-L288 PolarHBondContact O-N 2.84Å; L288-W323 HydrophobicContact CB-CE3 3.75Å; L288-W323 HydrophobicContact CB-CZ3 3.87Å; L288-W323 HydrophobicContact CD1-CE3 4.4Å; L288-W323 HydrophobicContact CD1-CZ3 4.05Å; L288-W323 CarbonylContact O-C 3.6Å; L288-W323 WeakPolarHBondContact O-CA 3.48Å; L288-I324 HydrophobicContact CD2-CG2 3.98Å; L288-I324 WeakPolarHBondContact O-CB 3.36Å; L288-I324 PolarHBondContact O-N 3.43Å; L288-W325 HydrophobicContact CB-CZ3 4.46Å; L288-W325 HydrophobicContact CD1-CE3 4.39Å; L288-W325 HydrophobicContact CD1-CH2 3.78Å; L288-W325 HydrophobicContact CD1-CZ3 3.41Å; L288-W325 VanDerWaalsContact CD1-CZ3 3.41Å; L288-W325 HydrophobicContact CD2-CE3 3.69Å; L288-W325 HydrophobicContact CD2-CZ3 3.55Å; L288-W325 HydrophobicContact CG-CZ3 3.98Å; L288-F348 HydrophobicContact CD1-CE2 4.29Å; L288-F348 HydrophobicContact CD1-CZ 3.64Å; L288-L415 HydrophobicContact CD1-CD2 3.91Å; L288-L415 HydrophobicContact CD2-CD2 4.28Å
289	T	98.6	Very high	96.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-116.4	-21.2	177	69.2	0	0	0	0	112.4	L285 Q291 L296 Y321 P322 W323 H531	L285-T289 HydrophobicContact CD2-CG2 4.23Å; L285-T289 PolarHBondContact O-N 2.61Å; L285-T289 PolarHBondContact O-OG1 3.5Å; T289-Q291 PolarHBondContact O-N 3.35Å; T289-Q291 PolarHBondContact OG1-N 3.36Å; T289-Q291 PolarHBondContact OG1-O 2.82Å; T289-L296 HydrophobicContact CG2-CD1 3.97Å; T289-L296 HydrophobicContact CG2-CD2 4.22Å; T289-Y321 HydrophobicContact CG2-CD2 4.44Å; T289-P322 HydrophobicContact CG2-CG 4.48Å; T289-W323 HydrophobicContact CG2-CE3 4.07Å; T289-W323 HydrophobicContact CG2-CZ3 4.14Å; T289-H531 PolarHBondContact O-CE1 2.83Å
290	G	98.4	Very high	96.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	78.2	5.4	-175.9	0	0	0	0	0	113.6	G286 F528 H531 S581 H582	G286-G290 VanDerWaalsContact O-CA 3.24Å; G286-G290 WeakPolarHBondContact O-CA 3.43Å; G286-G290 PolarHBondContact O-N 3.1Å; G286-G290 VanDerWaalsContact O-N 3.16Å; G290-F528 WeakPolarHBondContact O-CD1 3.49Å; G290-H531 VanDerWaalsContact CA-CD2 3.49Å; G290-H531 WeakPolarHBondContact CA-CD2 3.3Å; G290-H531 VanDerWaalsContact CA-CG 3.46Å; G290-H531 PolarHBondContact N-CE1 2.67Å; G290-H531 VanDerWaalsContact N-CE1 3.35Å; G290-H531 PolarHBondContact N-ND1 3.46Å; G290-S581 VanDerWaalsContact O-CA 3.27Å; G290-S581 WeakPolarHBondContact O-CA 3.39Å; G290-S581 PolarHBondContact O-OG 3.09Å; G290-H582 PolarHBondContact O-N 3.39Å
291	Q	98.1	Very high	95.8	Very high	19 Å²	19	24.9 Å²	24.9	9%	0.089	13%	0.131	C	C	.	.	S	Bend	trans	-125.8	156.3	-171.4	-64.4	-174.6	-81	0	0	111.4	T289 E295 L296 P580	T289-Q291 PolarHBondContact O-N 3.35Å; T289-Q291 PolarHBondContact OG1-N 3.36Å; T289-Q291 PolarHBondContact OG1-O 2.82Å; Q291-E295 WeakPolarHBondContact CA-OE2 3.23Å; Q291-E295 HydrophobicContact CB-CB 4.36Å; Q291-E295 WeakPolarHBondContact CB-OE2 3.48Å; Q291-L296 HydrophobicContact CB-CD2 4.26Å; Q291-L296 HydrophobicContact CB-CG 4.38Å; Q291-P580 VanDerWaalsContact CG-O 3.26Å; Q291-P580 WeakPolarHBondContact CG-O 3.22Å
292	L	96.3	Very high	95.4	Very high	44 Å²	44	26.9 Å²	26.9	23%	0.23	15%	0.145	C	C	.	.			trans	-68.5	151.8	170.1	-68.8	164	0	0	0	110.2	T294 E295 L296 F528	L292-T294 PolarHBondContact O-N 3.45Å; L292-E295 HydrophobicContact CB-CG 4.1Å; L292-E295 PolarHBondContact N-OE2 2.77Å; L292-E295 WeakPolarHBondContact O-CB 3.41Å; L292-E295 PolarHBondContact O-N 3.24Å; L292-L296 PolarHBondContact O-N 2.94Å; L292-F528 HydrophobicContact CD2-CE2 4.18Å; L292-F528 HydrophobicContact CD2-CZ 3.74Å; L292-F528 HydrophobicContact CG-CZ 3.96Å
293	E	94.4	Very high	94.8	Very high	9 Å²	9	31 Å²	31	4%	0.042	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-56.8	-34.6	176.9	-171	-174.5	132	0	0	112.2	L285 E295 L296 R300 R681	L285-E293 HydrophobicContact CD1-CB 3.83Å; L285-E293 HydrophobicContact CD1-CG 3.63Å; E293-E295 PolarHBondContact O-N 3.16Å; E293-L296 PolarHBondContact O-N 2.68Å; E293-R300 WeakPolarHBondContact OE1-CD 3.48Å; E293-R681 IonicContact OE1-CZ 3.56Å; E293-R681 IonicContact OE1-NE 3.1Å; E293-R681 PolarHBondContact OE1-NE 3.23Å; E293-R681 IonicContact OE1-NH2 3.69Å; E293-R681 PolarHBondContact OE1-NH2 2.65Å
294	T	93.4	Very high	94.1	Very high	97 Å²	97	31.8 Å²	31.8	60%	0.595	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-70.3	-16.8	178.8	49.6	0	0	0	0	114.4	L292	L292-T294 PolarHBondContact O-N 3.45Å
295	E	95.9	Very high	92.4	Very high	85 Å²	85	38.3 Å²	38.3	40%	0.397	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-92.6	-12.5	176.4	-61	176.4	131.5	0	0	112.2	Q291 L292 E293 H582	Q291-E295 WeakPolarHBondContact CA-OE2 3.23Å; Q291-E295 HydrophobicContact CB-CB 4.36Å; Q291-E295 WeakPolarHBondContact CB-OE2 3.48Å; L292-E295 HydrophobicContact CB-CG 4.1Å; L292-E295 PolarHBondContact N-OE2 2.77Å; L292-E295 WeakPolarHBondContact O-CB 3.41Å; L292-E295 PolarHBondContact O-N 3.24Å; E293-E295 PolarHBondContact O-N 3.16Å; E295-H582 IonicContact OE1-CE1 3.46Å; E295-H582 PolarHBondContact OE1-CE1 3.23Å; E295-H582 IonicContact OE1-NE2 3.66Å; E295-H582 PolarHBondContact OE1-NE2 2.87Å; E295-H582 VanDerWaalsContact OE1-NE2 3.1Å; E295-H582 IonicContact OE2-CD2 2.83Å; E295-H582 IonicContact OE2-CE1 3.67Å; E295-H582 IonicContact OE2-NE2 3.44Å; E295-H582 PolarHBondContact OE2-NE2 2.81Å
296	L	96.2	Very high	90.2	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.052	24%	0.244	C	C	.	.	S	Bend	trans	-87	152.3	175.6	-62.8	169.6	0	0	0	109.9	L285 T289 Q291 L292 E293 E298 Y321 P322	L285-L296 HydrophobicContact CB-CD1 4.39Å; L285-L296 HydrophobicContact CD1-CD1 4.14Å; L285-L296 HydrophobicContact CD2-CD1 3.9Å; L285-L296 HydrophobicContact CG-CD1 4.38Å; T289-L296 HydrophobicContact CG2-CD1 3.97Å; T289-L296 HydrophobicContact CG2-CD2 4.22Å; Q291-L296 HydrophobicContact CB-CD2 4.26Å; Q291-L296 HydrophobicContact CB-CG 4.38Å; L292-L296 PolarHBondContact O-N 2.94Å; E293-L296 PolarHBondContact O-N 2.68Å; L296-E298 PolarHBondContact O-N 3.03Å; L296-Y321 HydrophobicContact CB-CD1 4.46Å; L296-Y321 HydrophobicContact CB-CE1 3.86Å; L296-Y321 HydrophobicContact CB-CE2 4.03Å; L296-Y321 HydrophobicContact CD1-CD2 3.87Å; L296-Y321 HydrophobicContact CD1-CE2 3.63Å; L296-Y321 HydrophobicContact CD2-CD2 4.49Å; L296-Y321 HydrophobicContact CD2-CG 4.39Å; L296-Y321 HydrophobicContact CG-CE2 4.34Å; L296-P322 HydrophobicContact CD2-CG 4.18Å
297	P	94.6	Very high	88.2	Confident	75 Å²	75	51 Å²	51	49%	0.487	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-54.9	128.3	175.6	-26.3	34	0	0	0	112	S299 I317 Y321	P297-S299 PolarHBondContact O-N 3.47Å; P297-S299 VanDerWaalsContact O-N 3.09Å; P297-I317 HydrophobicContact CB-CG2 3.68Å; P297-I317 WeakPolarHBondContact O-CG2 3.46Å; P297-Y321 HydrophobicContact CB-CE1 4.25Å; P297-Y321 HydrophobicContact CG-CE1 4.3Å; P297-Y321 WeakPolarHBondContact O-CE1 3.3Å; P297-Y321 PolarHBondContact O-OH 2.72Å
298	E	93.2	Very high	85.9	Confident	65 Å²	65	61.1 Å²	61.1	30%	0.304	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-53.3	116.1	-173.3	-178.5	55.7	-99.6	0	0	112.8	L296 R300 H303 I317 R681	L296-E298 PolarHBondContact O-N 3.03Å; E298-R300 VanDerWaalsContact CD-NE 3.3Å; E298-R300 WeakPolarHBondContact OE1-CB 3.35Å; E298-R300 WeakPolarHBondContact OE1-CG 3.17Å; E298-R300 IonicContact OE1-CZ 3.29Å; E298-R300 PolarHBondContact OE1-N 2.93Å; E298-R300 IonicContact OE1-NE 2.99Å; E298-R300 PolarHBondContact OE1-NE 2.62Å; E298-R300 IonicContact OE1-NH2 2.96Å; E298-R300 IonicContact OE2-CZ 3.57Å; E298-R300 VanDerWaalsContact OE2-CZ 3.3Å; E298-R300 IonicContact OE2-NE 2.77Å; E298-R300 PolarHBondContact OE2-NE 3.19Å; E298-R300 IonicContact OE2-NH2 2.82Å; E298-R300 PolarHBondContact OE2-NH2 3.07Å; E298-H303 HydrophobicContact CG-CB 3.96Å; E298-I317 WeakPolarHBondContact O-CD1 3.35Å; E298-R681 IonicContact OE1-NH2 2.68Å; E298-R681 IonicContact OE2-CZ 2.72Å; E298-R681 IonicContact OE2-NH1 3.36Å; E298-R681 PolarHBondContact OE2-NH1 3.17Å; E298-R681 VanDerWaalsContact OE2-NH1 3.1Å; E298-R681 IonicContact OE2-NH2 3.6Å
299	S	92.6	Very high	83.6	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.007	32%	0.321	C	S	.	.			trans	-123.9	5.3	-175.7	74.2	0	0	0	0	114.1	P297 L318 Y321 L352 C353	P297-S299 PolarHBondContact O-N 3.47Å; P297-S299 VanDerWaalsContact O-N 3.09Å; S299-L318 WeakPolarHBondContact OG-CD1 3.09Å; S299-Y321 WeakPolarHBondContact CB-OH 3.29Å; S299-Y321 PolarHBondContact OG-OH 3.22Å; S299-L352 CarbonylContact O-C 3.47Å; S299-L352 WeakPolarHBondContact O-CA 3.47Å; S299-C353 PolarHBondContact O-N 3.22Å
300	R	91.8	Very high	81.5	Confident	18 Å²	18	68 Å²	68	7%	0.068	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-70.8	132.3	179.4	-65.2	175.1	-63.5	155.3	-3	110.6	E293 E298 S302 H303 L304 R351 L352 D679 R681	E293-R300 WeakPolarHBondContact OE1-CD 3.48Å; E298-R300 VanDerWaalsContact CD-NE 3.3Å; E298-R300 WeakPolarHBondContact OE1-CB 3.35Å; E298-R300 WeakPolarHBondContact OE1-CG 3.17Å; E298-R300 IonicContact OE1-CZ 3.29Å; E298-R300 PolarHBondContact OE1-N 2.93Å; E298-R300 IonicContact OE1-NE 2.99Å; E298-R300 PolarHBondContact OE1-NE 2.62Å; E298-R300 IonicContact OE1-NH2 2.96Å; E298-R300 IonicContact OE2-CZ 3.57Å; E298-R300 VanDerWaalsContact OE2-CZ 3.3Å; E298-R300 IonicContact OE2-NE 2.77Å; E298-R300 PolarHBondContact OE2-NE 3.19Å; E298-R300 IonicContact OE2-NH2 2.82Å; E298-R300 PolarHBondContact OE2-NH2 3.07Å; R300-S302 PolarHBondContact O-N 2.81Å; R300-H303 VanDerWaalsContact CZ-ND1 3.28Å; R300-H303 PolarHBondContact NH1-CE1 3.21Å; R300-H303 PolarHBondContact NH1-ND1 2.89Å; R300-H303 PolarHBondContact NH1-NE2 3.24Å; R300-H303 PolarHBondContact NH2-CD2 2.69Å; R300-H303 PolarHBondContact NH2-CE1 3.38Å; R300-H303 PolarHBondContact NH2-ND1 3.09Å; R300-H303 PolarHBondContact NH2-NE2 3.47Å; R300-H303 PolarHBondContact O-N 3.44Å; R300-L304 WeakPolarHBondContact O-CG 3.19Å; R300-L304 PolarHBondContact O-N 2.91Å; R300-R351 CarbonylContact C-O 3.26Å; R300-R351 WeakPolarHBondContact CA-O 3.18Å; R300-L352 HydrophobicContact CG-CD2 3.73Å; R300-D679 IonicContact CZ-OD2 3.52Å; R300-D679 IonicContact NE-OD2 3.09Å; R300-D679 IonicContact NH1-OD2 3.1Å; R300-D679 PolarHBondContact NH1-OD2 3.1Å; R300-R681 VanDerWaalsContact NE-NH2 3.11Å
301	K	88	Confident	79.4	Confident	76 Å²	76	73.6 Å²	73.6	33%	0.33	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-56.9	-39.6	-179.7	-70.2	174.5	173	172.6	0	112.5	Y153 H303 L304 L309 Q349 H350 R351 L352	Y153-K301 WeakPolarHBondContact OH-CE 3.25Å; Y153-K301 PolarHBondContact OH-NZ 3.46Å; K301-H303 PolarHBondContact O-N 2.86Å; K301-H303 VanDerWaalsContact O-N 3.16Å; K301-L304 PolarHBondContact O-N 2.79Å; K301-L309 HydrophobicContact CG-CD1 4.47Å; K301-Q349 WeakPolarHBondContact CE-O 3.25Å; K301-Q349 PolarHBondContact NZ-O 2.66Å; K301-H350 PolarHBondContact NZ-O 2.63Å; K301-R351 PolarHBondContact N-O 3.37Å; K301-L352 WeakPolarHBondContact CE-O 3.45Å
302	S	85.8	Confident	77.4	Confident	46 Å²	46	80.8 Å²	80.8	32%	0.322	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-58	-24.4	178.1	52.3	0	0	0	0	113.7	R300 N305 D679	R300-S302 PolarHBondContact O-N 2.81Å; S302-N305 PolarHBondContact O-ND2 2.91Å; S302-D679 PolarHBondContact OG-OD1 3.13Å; S302-D679 PolarHBondContact OG-OD2 2.84Å
303	H	84.2	Confident	76.1	Confident	104 Å²	104	80.8 Å²	80.8	48%	0.481	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-106.3	-3.7	-176.5	-67.4	65.2	0	0	0	112.9	E298 R300 K301 D679	E298-H303 HydrophobicContact CG-CB 3.96Å; R300-H303 VanDerWaalsContact CZ-ND1 3.28Å; R300-H303 PolarHBondContact NH1-CE1 3.21Å; R300-H303 PolarHBondContact NH1-ND1 2.89Å; R300-H303 PolarHBondContact NH1-NE2 3.24Å; R300-H303 PolarHBondContact NH2-CD2 2.69Å; R300-H303 PolarHBondContact NH2-CE1 3.38Å; R300-H303 PolarHBondContact NH2-ND1 3.09Å; R300-H303 PolarHBondContact NH2-NE2 3.47Å; R300-H303 PolarHBondContact O-N 3.44Å; K301-H303 PolarHBondContact O-N 2.86Å; K301-H303 VanDerWaalsContact O-N 3.16Å; H303-D679 IonicContact CE1-OD2 3.72Å; H303-D679 PolarHBondContact CE1-OD2 3.17Å; H303-D679 IonicContact ND1-OD2 3.33Å
304	L	82.2	Confident	75.8	Confident	18 Å²	18	84.9 Å²	84.9	9%	0.094	42%	0.419	C	S	.	.			trans	-94.1	17.8	-178.4	-68.3	170.9	0	0	0	113.5	R300 K301 N306 I307 L309 I317 C353	R300-L304 WeakPolarHBondContact O-CG 3.19Å; R300-L304 PolarHBondContact O-N 2.91Å; K301-L304 PolarHBondContact O-N 2.79Å; L304-N306 PolarHBondContact O-N 2.81Å; L304-I307 HydrophobicContact CD2-CD1 4.25Å; L304-I307 PolarHBondContact O-N 3.16Å; L304-I307 VanDerWaalsContact O-O 3.05Å; L304-L309 HydrophobicContact CD1-CD1 3.76Å; L304-L309 HydrophobicContact CD1-CD2 4.29Å; L304-L309 HydrophobicContact CD1-CG 4.2Å; L304-I317 HydrophobicContact CD1-CD1 4.49Å; L304-I317 HydrophobicContact CD2-CD1 3.81Å; L304-C353 HydrophobicContact CD1-CB 3.89Å
305	N	62.3	Low	75.6	Confident	137 Å²	137	86.7 Å²	86.7	73%	0.733	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-17.9	-170.7	-71.2	-19.3	0	0	0	116.9	S302	S302-N305 PolarHBondContact O-ND2 2.91Å
306	N	52.6	Low	75.4	Confident	165 Å²	165	83.4 Å²	83.4	88%	0.882	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-11.4	179.8	-72.3	-14.9	0	0	0	115.4	L304	L304-N306 PolarHBondContact O-N 2.81Å
307	I	55.5	Low	75.3	Confident	102 Å²	102	85.1 Å²	85.1	52%	0.523	41%	0.411	S	S	.	.	S	Bend	trans	-97.6	104.8	168.8	-54.9	175	0	0	0	103.2	L304 L309	L304-I307 HydrophobicContact CD2-CD1 4.25Å; L304-I307 PolarHBondContact O-N 3.16Å; L304-I307 VanDerWaalsContact O-O 3.05Å; I307-L309 PolarHBondContact O-N 3.35Å
308	R	50.1	Low	75.2	Confident	213 Å²	213	81.6 Å²	81.6	80%	0.804	39%	0.387	S	S	*	.			trans	-54.3	100.7	161.5	-72	-175.2	-179.8	-175.2	0.5	104.6	N310	R308-N310 PolarHBondContact O-N 3.28Å
309	L	52.2	Low	75.3	Confident	57 Å²	57	79.5 Å²	79.5	30%	0.298	38%	0.378	S	S	.	.			trans	-59.3	89.8	159.2	-76.2	169.4	0	0	0	102.8	K301 L304 I307 Q311 D313 C353	K301-L309 HydrophobicContact CG-CD1 4.47Å; L304-L309 HydrophobicContact CD1-CD1 3.76Å; L304-L309 HydrophobicContact CD1-CD2 4.29Å; L304-L309 HydrophobicContact CD1-CG 4.2Å; I307-L309 PolarHBondContact O-N 3.35Å; L309-Q311 PolarHBondContact O-N 3.01Å; L309-D313 WeakPolarHBondContact CA-OD2 3.49Å; L309-C353 HydrophobicContact CD1-CB 3.43Å; L309-C353 VanDerWaalsContact CD1-CB 3.43Å; L309-C353 HydrophobicContact CD2-CB 3.84Å; L309-C353 HydrophobicContact CG-CB 4.29Å
310	N	53.1	Low	75.4	Confident	86 Å²	86	85.5 Å²	85.5	46%	0.46	41%	0.41	S	S	.	.			trans	-64.3	132.9	172.9	-75.5	-34.6	0	0	0	102.6	R308 Y312 D313	R308-N310 PolarHBondContact O-N 3.28Å; N310-Y312 PolarHBondContact O-N 3.23Å; N310-D313 PolarHBondContact N-OD2 2.81Å; N310-D313 VanDerWaalsContact N-OD2 3.14Å; N310-D313 WeakPolarHBondContact O-CB 3.18Å; N310-D313 VanDerWaalsContact O-CG 3.29Å; N310-D313 PolarHBondContact O-N 3.17Å
311	Q	54.1	Low	75.6	Confident	118 Å²	118	84.9 Å²	84.9	55%	0.551	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-6.8	174.2	-49.4	171.1	17.4	0	0	111.5	N151 L309	N151-Q311 WeakPolarHBondContact CB-O 3.35Å; N151-Q311 PolarHBondContact ND2-O 3.48Å; L309-Q311 PolarHBondContact O-N 3.01Å
312	Y	56	Low	76.1	Confident	171 Å²	171	82 Å²	82	67%	0.671	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	13.6	177.6	-55.4	-73.5	0	0	0	113.7	N310 N314	N310-Y312 PolarHBondContact O-N 3.23Å; Y312-N314 PolarHBondContact O-N 2.94Å; Y312-N314 VanDerWaalsContact O-N 3.08Å
313	D	70.7	Confident	76.7	Confident	44 Å²	44	80.1 Å²	80.1	24%	0.235	38%	0.383	C	S	.	.			trans	-62	118.5	174.4	-73.9	-21.7	0	0	0	108.6	L309 N310 Y315 S357	L309-D313 WeakPolarHBondContact CA-OD2 3.49Å; N310-D313 PolarHBondContact N-OD2 2.81Å; N310-D313 VanDerWaalsContact N-OD2 3.14Å; N310-D313 WeakPolarHBondContact O-CB 3.18Å; N310-D313 VanDerWaalsContact O-CG 3.29Å; N310-D313 PolarHBondContact O-N 3.17Å; D313-Y315 PolarHBondContact O-N 2.92Å; D313-S357 PolarHBondContact O-N 3.48Å; D313-S357 VanDerWaalsContact O-N 3.15Å; D313-S357 PolarHBondContact O-OG 2.88Å
314	N	86.8	Confident	77.4	Confident	94 Å²	94	75.2 Å²	75.2	50%	0.503	36%	0.36	S	S	.	.	S	Bend	trans	-61.3	-31.2	178.2	-73.5	-27	0	0	0	110.8	Y312 S357 M358	Y312-N314 PolarHBondContact O-N 2.94Å; Y312-N314 VanDerWaalsContact O-N 3.08Å; N314-S357 PolarHBondContact O-N 2.8Å; N314-M358 HydrophobicContact CB-CB 4.13Å; N314-M358 WeakPolarHBondContact O-CB 3.43Å; N314-M358 PolarHBondContact O-N 2.79Å; N314-M358 VanDerWaalsContact O-N 3.07Å
315	Y	90.2	Very high	78.2	Confident	135 Å²	135	74.5 Å²	74.5	53%	0.529	36%	0.356	S	S	.	.	S	Bend	trans	-138.6	142.4	-179.4	-61.1	-89.7	0	0	0	110.1	D313 D319 M358 N359	D313-Y315 PolarHBondContact O-N 2.92Å; Y315-D319 VanDerWaalsContact CA-OD2 3.31Å; Y315-D319 WeakPolarHBondContact CA-OD2 3.48Å; Y315-M358 HydrophobicContact CE2-CB 4.46Å; Y315-M358 HydrophobicContact CE2-CG 4.49Å; Y315-N359 VanDerWaalsContact CE1-ND2 3.26Å; Y315-N359 WeakPolarHBondContact CE1-ND2 3.43Å
316	T	91.4	Very high	79.8	Confident	17 Å²	17	72.6 Å²	72.6	10%	0.104	34%	0.342	C	S	.	.			trans	-116.1	173.6	172.2	67.2	0	0	0	0	111.3	L318 D319 G354 G356	T316-L318 PolarHBondContact O-N 3.04Å; T316-D319 PolarHBondContact N-OD2 3.44Å; T316-D319 PolarHBondContact O-N 2.86Å; T316-G354 WeakPolarHBondContact CB-O 3.43Å; T316-G354 PolarHBondContact OG1-O 3.1Å; T316-G356 PolarHBondContact OG1-N 2.72Å
317	I	92.9	Very high	82	Confident	46 Å²	46	65 Å²	65	24%	0.236	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-60.2	-37.2	176	-62.4	170.3	0	0	0	110.9	P297 E298 L304 D319 N320 Y321	P297-I317 HydrophobicContact CB-CG2 3.68Å; P297-I317 WeakPolarHBondContact O-CG2 3.46Å; E298-I317 WeakPolarHBondContact O-CD1 3.35Å; L304-I317 HydrophobicContact CD1-CD1 4.49Å; L304-I317 HydrophobicContact CD2-CD1 3.81Å; I317-D319 VanDerWaalsContact C-N 3.27Å; I317-D319 PolarHBondContact O-N 3.06Å; I317-N320 PolarHBondContact O-N 2.87Å; I317-N320 VanDerWaalsContact O-N 3.15Å; I317-Y321 HydrophobicContact CG2-CE1 3.95Å
318	L	94.5	Very high	84	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-64	-29	179	-87.8	76.8	0	0	0	112.8	S299 T316 N320 Y321 W323 F348 L352 C353 F355	S299-L318 WeakPolarHBondContact OG-CD1 3.09Å; T316-L318 PolarHBondContact O-N 3.04Å; L318-N320 PolarHBondContact O-N 2.93Å; L318-N320 VanDerWaalsContact O-N 3.12Å; L318-Y321 HydrophobicContact CG-CD2 4.42Å; L318-Y321 HydrophobicContact CG-CE2 4.26Å; L318-Y321 PolarHBondContact O-N 3.21Å; L318-Y321 VanDerWaalsContact O-N 3.15Å; L318-W323 HydrophobicContact CB-CZ2 4.38Å; L318-W323 HydrophobicContact CD2-CZ2 4.36Å; L318-W323 HydrophobicContact CG-CZ2 4.35Å; L318-W323 PolarHBondContact O-NE1 3.19Å; L318-F348 HydrophobicContact CD2-CB 3.64Å; L318-F348 HydrophobicContact CD2-CD1 4.46Å; L318-F348 HydrophobicContact CD2-CG 4.3Å; L318-L352 HydrophobicContact CD1-CB 4.12Å; L318-L352 HydrophobicContact CD2-CB 4.35Å; L318-L352 HydrophobicContact CD2-CD1 4.4Å; L318-C353 WeakPolarHBondContact CD1-SG 3.45Å; L318-F355 HydrophobicContact CB-CD1 4.04Å; L318-F355 HydrophobicContact CB-CE1 4.08Å; L318-F355 HydrophobicContact CD2-CE1 4.35Å; L318-F355 HydrophobicContact CD2-CZ 4.35Å
319	D	94.7	Very high	86.2	Confident	21 Å²	21	51.6 Å²	51.6	11%	0.112	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-63.7	-19.9	178.8	-64.4	-40.4	0	0	0	112.5	Y315 T316 I317 G356	Y315-D319 VanDerWaalsContact CA-OD2 3.31Å; Y315-D319 WeakPolarHBondContact CA-OD2 3.48Å; T316-D319 PolarHBondContact N-OD2 3.44Å; T316-D319 PolarHBondContact O-N 2.86Å; I317-D319 VanDerWaalsContact C-N 3.27Å; I317-D319 PolarHBondContact O-N 3.06Å; D319-G356 PolarHBondContact OD1-N 2.92Å; D319-G356 VanDerWaalsContact OD2-CA 3.24Å; D319-G356 WeakPolarHBondContact OD2-CA 3.17Å; D319-G356 PolarHBondContact OD2-N 2.91Å
320	N	93.8	Very high	88.3	Confident	127 Å²	127	53.7 Å²	53.7	68%	0.679	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-99.1	-3	-179.3	-62.9	-35.8	0	0	0	113.7	I317 L318	I317-N320 PolarHBondContact O-N 2.87Å; I317-N320 VanDerWaalsContact O-N 3.15Å; L318-N320 PolarHBondContact O-N 2.93Å; L318-N320 VanDerWaalsContact O-N 3.12Å
321	Y	97.6	Very high	90.3	Very high	5 Å²	5	52 Å²	52	2%	0.02	25%	0.248	C	C	.	.	S	Bend	trans	-63	150.1	174.2	-79.1	12.7	0	0	0	111	L285 T289 L296 P297 S299 I317 L318 W323	L285-Y321 HydrophobicContact CD2-CD2 4.04Å; L285-Y321 HydrophobicContact CD2-CE2 3.96Å; T289-Y321 HydrophobicContact CG2-CD2 4.44Å; L296-Y321 HydrophobicContact CB-CD1 4.46Å; L296-Y321 HydrophobicContact CB-CE1 3.86Å; L296-Y321 HydrophobicContact CB-CE2 4.03Å; L296-Y321 HydrophobicContact CD1-CD2 3.87Å; L296-Y321 HydrophobicContact CD1-CE2 3.63Å; L296-Y321 HydrophobicContact CD2-CD2 4.49Å; L296-Y321 HydrophobicContact CD2-CG 4.39Å; L296-Y321 HydrophobicContact CG-CE2 4.34Å; P297-Y321 HydrophobicContact CB-CE1 4.25Å; P297-Y321 HydrophobicContact CG-CE1 4.3Å; P297-Y321 WeakPolarHBondContact O-CE1 3.3Å; P297-Y321 PolarHBondContact O-OH 2.72Å; S299-Y321 WeakPolarHBondContact CB-OH 3.29Å; S299-Y321 PolarHBondContact OG-OH 3.22Å; I317-Y321 HydrophobicContact CG2-CE1 3.95Å; L318-Y321 HydrophobicContact CG-CD2 4.42Å; L318-Y321 HydrophobicContact CG-CE2 4.26Å; L318-Y321 PolarHBondContact O-N 3.21Å; L318-Y321 VanDerWaalsContact O-N 3.15Å; Y321-W323 AromaticContact CD2-CH2 3.93Å; Y321-W323 HydrophobicContact CD2-CH2 3.93Å; Y321-W323 AromaticContact CD2-CZ2 3.63Å; Y321-W323 HydrophobicContact CD2-CZ2 3.63Å; Y321-W323 HydrophobicContact CG-CZ2 4.13Å; Y321-W323 PolarHBondContact O-N 3.16Å
322	P	97.5	Very high	92.3	Very high	17 Å²	17	46.7 Å²	46.7	11%	0.11	23%	0.225	C	C	.	.			trans	-80	63	-177.5	33.4	-34.4	0	0	0	111.5	T289 L296 I324 N579	T289-P322 HydrophobicContact CG2-CG 4.48Å; L296-P322 HydrophobicContact CD2-CG 4.18Å; P322-I324 PolarHBondContact O-N 3.23Å; P322-N579 HydrophobicContact CB-CB 3.73Å; P322-N579 VanDerWaalsContact CB-CG 3.46Å; P322-N579 HydrophobicContact CG-CB 4.1Å
323	W	98.4	Very high	94.1	Very high	6 Å²	6	42.9 Å²	42.9	2%	0.023	22%	0.216	C	C	.	.			trans	-64	127.8	-177.3	-59.1	109.5	0	0	0	112.5	L285 L288 T289 L318 Y321 W325 K326 E327 F348 F355	L285-W323 HydrophobicContact CD2-CH2 3.75Å; L285-W323 HydrophobicContact CD2-CZ3 3.97Å; L288-W323 HydrophobicContact CB-CE3 3.75Å; L288-W323 HydrophobicContact CB-CZ3 3.87Å; L288-W323 HydrophobicContact CD1-CE3 4.4Å; L288-W323 HydrophobicContact CD1-CZ3 4.05Å; L288-W323 CarbonylContact O-C 3.6Å; L288-W323 WeakPolarHBondContact O-CA 3.48Å; T289-W323 HydrophobicContact CG2-CE3 4.07Å; T289-W323 HydrophobicContact CG2-CZ3 4.14Å; L318-W323 HydrophobicContact CB-CZ2 4.38Å; L318-W323 HydrophobicContact CD2-CZ2 4.36Å; L318-W323 HydrophobicContact CG-CZ2 4.35Å; L318-W323 PolarHBondContact O-NE1 3.19Å; Y321-W323 AromaticContact CD2-CH2 3.93Å; Y321-W323 HydrophobicContact CD2-CH2 3.93Å; Y321-W323 AromaticContact CD2-CZ2 3.63Å; Y321-W323 HydrophobicContact CD2-CZ2 3.63Å; Y321-W323 HydrophobicContact CG-CZ2 4.13Å; Y321-W323 PolarHBondContact O-N 3.16Å; W323-W325 VanDerWaalsContact C-N 3.28Å; W323-W325 HydrophobicContact CB-CD2 4.08Å; W323-W325 HydrophobicContact CB-CG 4.16Å; W323-W325 HydrophobicContact CB-CZ2 3.99Å; W323-W325 VanDerWaalsContact CB-NE1 3.26Å; W323-W325 AromaticContact CD2-CE2 3.85Å; W323-W325 AromaticContact CD2-CH2 3.98Å; W323-W325 HydrophobicContact CD2-CH2 3.98Å; W323-W325 AromaticContact CD2-CZ2 3.32Å; W323-W325 HydrophobicContact CD2-CZ2 3.32Å; W323-W325 AromaticContact CE2-CZ2 3.92Å; W323-W325 AromaticContact CE3-CH2 3.53Å; W323-W325 HydrophobicContact CE3-CH2 3.53Å; W323-W325 AromaticContact CE3-CZ2 3.39Å; W323-W325 HydrophobicContact CE3-CZ2 3.39Å; W323-W325 HydrophobicContact CE3-CZ3 4.32Å; W323-W325 AromaticContact CG-CE2 3.62Å; W323-W325 AromaticContact CG-CZ2 3.61Å; W323-W325 HydrophobicContact CG-CZ2 3.61Å; W323-W325 AromaticContact CG-NE1 3.54Å; W323-W325 HydrophobicContact CH2-CH2 4.5Å; W323-W325 AromaticContact CZ3-CH2 3.82Å; W323-W325 HydrophobicContact CZ3-CH2 3.82Å; W323-W325 HydrophobicContact CZ3-CZ2 4.03Å; W323-W325 PolarHBondContact O-N 3.34Å; W323-K326 HydrophobicContact CB-CB 4.27Å; W323-K326 WeakPolarHBondContact O-CA 2.9Å; W323-K326 VanDerWaalsContact O-CB 3.24Å; W323-K326 WeakPolarHBondContact O-CB 3.19Å; W323-K326 PolarHBondContact O-N 3.38Å; W323-E327 PolarHBondContact O-N 3.38Å; W323-F348 AromaticContact CH2-CD1 3.88Å; W323-F348 HydrophobicContact CH2-CD1 3.88Å; W323-F348 AromaticContact CH2-CE1 3.66Å; W323-F348 HydrophobicContact CH2-CE1 3.66Å; W323-F348 HydrophobicContact CH2-CG 4.42Å; W323-F348 HydrophobicContact CH2-CZ 4.03Å; W323-F348 AromaticContact CZ3-CE1 3.95Å; W323-F348 HydrophobicContact CZ3-CE1 3.95Å; W323-F348 AromaticContact CZ3-CZ 3.97Å; W323-F348 HydrophobicContact CZ3-CZ 3.97Å; W323-F355 AromaticContact CE2-CE1 3.77Å; W323-F355 HydrophobicContact CH2-CZ 4.31Å; W323-F355 AromaticContact CZ2-CE1 3.65Å; W323-F355 HydrophobicContact CZ2-CE1 3.65Å; W323-F355 AromaticContact CZ2-CZ 3.8Å; W323-F355 HydrophobicContact CZ2-CZ 3.8Å; W323-F355 AromaticContact NE1-CE1 3.73Å
324	I	98.7	Very high	95.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-34.1	-179.8	-165.7	167.6	0	0	0	112.6	L288 P322 K326 E327 Y328 F413 L534 R535	L288-I324 HydrophobicContact CD2-CG2 3.98Å; L288-I324 WeakPolarHBondContact O-CB 3.36Å; L288-I324 PolarHBondContact O-N 3.43Å; P322-I324 PolarHBondContact O-N 3.23Å; I324-K326 PolarHBondContact O-N 3.18Å; I324-E327 WeakPolarHBondContact O-CB 2.96Å; I324-E327 PolarHBondContact O-N 3.17Å; I324-E327 VanDerWaalsContact O-N 3.09Å; I324-Y328 HydrophobicContact CD1-CE2 4.18Å; I324-Y328 HydrophobicContact CG1-CD2 3.96Å; I324-Y328 HydrophobicContact CG1-CE2 3.94Å; I324-Y328 WeakPolarHBondContact O-CD2 3.31Å; I324-Y328 PolarHBondContact O-N 3.31Å; I324-F413 HydrophobicContact CG2-CE2 4.44Å; I324-F413 HydrophobicContact CG2-CZ 3.88Å; I324-L534 HydrophobicContact CD1-CB 3.41Å; I324-L534 VanDerWaalsContact CD1-CB 3.41Å; I324-L534 HydrophobicContact CD1-CD1 4.01Å; I324-L534 HydrophobicContact CD1-CG 4.37Å; I324-R535 HydrophobicContact CD1-CG 4.25Å
325	W	98.2	Very high	95.8	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.011	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-31.4	174.6	54.4	64.3	0	0	0	111.9	L288 W323 Y328 S329 T336 F348 F355 P361 T362 F413 L415	L288-W325 HydrophobicContact CB-CZ3 4.46Å; L288-W325 HydrophobicContact CD1-CE3 4.39Å; L288-W325 HydrophobicContact CD1-CH2 3.78Å; L288-W325 HydrophobicContact CD1-CZ3 3.41Å; L288-W325 VanDerWaalsContact CD1-CZ3 3.41Å; L288-W325 HydrophobicContact CD2-CE3 3.69Å; L288-W325 HydrophobicContact CD2-CZ3 3.55Å; L288-W325 HydrophobicContact CG-CZ3 3.98Å; W323-W325 VanDerWaalsContact C-N 3.28Å; W323-W325 HydrophobicContact CB-CD2 4.08Å; W323-W325 HydrophobicContact CB-CG 4.16Å; W323-W325 HydrophobicContact CB-CZ2 3.99Å; W323-W325 VanDerWaalsContact CB-NE1 3.26Å; W323-W325 AromaticContact CD2-CE2 3.85Å; W323-W325 AromaticContact CD2-CH2 3.98Å; W323-W325 HydrophobicContact CD2-CH2 3.98Å; W323-W325 AromaticContact CD2-CZ2 3.32Å; W323-W325 HydrophobicContact CD2-CZ2 3.32Å; W323-W325 AromaticContact CE2-CZ2 3.92Å; W323-W325 AromaticContact CE3-CH2 3.53Å; W323-W325 HydrophobicContact CE3-CH2 3.53Å; W323-W325 AromaticContact CE3-CZ2 3.39Å; W323-W325 HydrophobicContact CE3-CZ2 3.39Å; W323-W325 HydrophobicContact CE3-CZ3 4.32Å; W323-W325 AromaticContact CG-CE2 3.62Å; W323-W325 AromaticContact CG-CZ2 3.61Å; W323-W325 HydrophobicContact CG-CZ2 3.61Å; W323-W325 AromaticContact CG-NE1 3.54Å; W323-W325 HydrophobicContact CH2-CH2 4.5Å; W323-W325 AromaticContact CZ3-CH2 3.82Å; W323-W325 HydrophobicContact CZ3-CH2 3.82Å; W323-W325 HydrophobicContact CZ3-CZ2 4.03Å; W323-W325 PolarHBondContact O-N 3.34Å; W325-Y328 PolarHBondContact O-N 3.01Å; W325-S329 PolarHBondContact O-N 2.98Å; W325-S329 PolarHBondContact O-OG 3.48Å; W325-T336 HydrophobicContact CB-CG2 3.84Å; W325-T336 VanDerWaalsContact O-CG2 3.26Å; W325-T336 WeakPolarHBondContact O-CG2 3.46Å; W325-F348 HydrophobicContact CH2-CE2 4.28Å; W325-F355 HydrophobicContact CZ2-CZ 4.23Å; W325-P361 HydrophobicContact CZ2-CB 4.3Å; W325-P361 PolarHBondContact NE1-O 3.13Å; W325-P361 VanDerWaalsContact NE1-O 3.15Å; W325-T362 HydrophobicContact CD2-CG2 4.07Å; W325-T362 HydrophobicContact CG-CG2 4.08Å; W325-F413 HydrophobicContact CB-CD1 3.87Å; W325-F413 HydrophobicContact CB-CE1 3.83Å; W325-F413 HydrophobicContact CB-CZ 4.46Å; W325-L415 HydrophobicContact CZ3-CD2 4.01Å
326	K	97.5	Very high	96.2	Very high	97 Å²	97	30.2 Å²	30.2	42%	0.422	16%	0.157	S	C	.	.	H	α-helix	trans	-71.3	-37.6	176.2	-173.1	172.1	-178.2	168.6	0	110.9	W323 I324 Y328 S329 D330	W323-K326 HydrophobicContact CB-CB 4.27Å; W323-K326 WeakPolarHBondContact O-CA 2.9Å; W323-K326 VanDerWaalsContact O-CB 3.24Å; W323-K326 WeakPolarHBondContact O-CB 3.19Å; W323-K326 PolarHBondContact O-N 3.38Å; I324-K326 PolarHBondContact O-N 3.18Å; K326-Y328 VanDerWaalsContact C-N 3.34Å; K326-Y328 PolarHBondContact O-N 2.97Å; K326-S329 WeakPolarHBondContact CA-OG 3.46Å; K326-S329 PolarHBondContact O-N 3.1Å; K326-S329 PolarHBondContact O-OG 3.42Å; K326-D330 WeakPolarHBondContact CG-OD2 3.35Å; K326-D330 VanDerWaalsContact O-CB 3.25Å; K326-D330 WeakPolarHBondContact O-CB 3.14Å; K326-D330 PolarHBondContact O-N 3.44Å
327	E	97.4	Very high	96.5	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.028	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-44.6	171.6	-59.9	-175	-169.9	0	0	111.5	W323 I324 S329 D330 Y331 R535 L538 N575 W576	W323-E327 PolarHBondContact O-N 3.38Å; I324-E327 WeakPolarHBondContact O-CB 2.96Å; I324-E327 PolarHBondContact O-N 3.17Å; I324-E327 VanDerWaalsContact O-N 3.09Å; E327-S329 PolarHBondContact O-N 3.05Å; E327-D330 PolarHBondContact O-N 3.31Å; E327-Y331 HydrophobicContact CB-CD2 4.19Å; E327-Y331 WeakPolarHBondContact O-CB 3.47Å; E327-Y331 VanDerWaalsContact O-CD2 3.29Å; E327-Y331 WeakPolarHBondContact O-CD2 3.25Å; E327-Y331 PolarHBondContact O-N 2.89Å; E327-R535 IonicContact OE1-CZ 2.71Å; E327-R535 IonicContact OE1-NE 3.2Å; E327-R535 PolarHBondContact OE1-NE 3.16Å; E327-R535 IonicContact OE1-NH2 3.9Å; E327-R535 PolarHBondContact OE1-NH2 3.26Å; E327-R535 IonicContact OE2-NE 3.71Å; E327-R535 PolarHBondContact OE2-NE 3.37Å; E327-L538 HydrophobicContact CB-CD2 4.17Å; E327-N575 PolarHBondContact OE1-ND2 3.39Å; E327-W576 PolarHBondContact OE2-NE1 3.23Å
328	Y	98.2	Very high	96.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.7	-38.7	176.4	-89.7	-99.8	0	0	0	112.7	I236 I324 W325 K326 G332 N333 Y334 F413 L534 L538	I236-Y328 HydrophobicContact CD1-CE1 4.32Å; I236-Y328 HydrophobicContact CG1-CD1 4.45Å; I236-Y328 HydrophobicContact CG1-CE1 3.73Å; I324-Y328 HydrophobicContact CD1-CE2 4.18Å; I324-Y328 HydrophobicContact CG1-CD2 3.96Å; I324-Y328 HydrophobicContact CG1-CE2 3.94Å; I324-Y328 WeakPolarHBondContact O-CD2 3.31Å; I324-Y328 PolarHBondContact O-N 3.31Å; W325-Y328 PolarHBondContact O-N 3.01Å; K326-Y328 VanDerWaalsContact C-N 3.34Å; K326-Y328 PolarHBondContact O-N 2.97Å; Y328-G332 CarbonylContact O-C 3.34Å; Y328-G332 WeakPolarHBondContact O-CA 3.45Å; Y328-G332 PolarHBondContact O-N 3.49Å; Y328-N333 PolarHBondContact O-N 2.98Å; Y328-Y334 AromaticContact CD1-CD1 3.76Å; Y328-Y334 HydrophobicContact CD1-CD1 3.76Å; Y328-Y334 AromaticContact CD1-CD2 3.83Å; Y328-Y334 HydrophobicContact CD1-CD2 3.83Å; Y328-Y334 AromaticContact CD1-CE1 3.66Å; Y328-Y334 HydrophobicContact CD1-CE1 3.66Å; Y328-Y334 AromaticContact CD1-CE2 3.76Å; Y328-Y334 HydrophobicContact CD1-CE2 3.76Å; Y328-Y334 AromaticContact CD1-CG 3.85Å; Y328-Y334 HydrophobicContact CD1-CG 3.85Å; Y328-Y334 AromaticContact CD1-CZ 3.68Å; Y328-Y334 HydrophobicContact CE1-CD1 4.5Å; Y328-Y334 AromaticContact CE1-CE1 3.98Å; Y328-Y334 HydrophobicContact CE1-CE1 3.98Å; Y328-Y334 HydrophobicContact CE1-CE2 4.28Å; Y328-Y334 AromaticContact CE1-CZ 3.87Å; Y328-Y334 WeakPolarHBondContact O-CB 3.46Å; Y328-Y334 WeakPolarHBondContact O-CD2 3.48Å; Y328-Y334 PolarHBondContact O-N 3.44Å; Y328-Y334 VanDerWaalsContact O-N 3.14Å; Y328-F413 AromaticContact CD1-CD2 3.91Å; Y328-F413 HydrophobicContact CD1-CD2 3.91Å; Y328-F413 AromaticContact CD2-CD2 3.91Å; Y328-F413 HydrophobicContact CD2-CD2 3.91Å; Y328-F413 AromaticContact CD2-CE2 3.89Å; Y328-F413 HydrophobicContact CD2-CE2 3.89Å; Y328-F413 HydrophobicContact CE1-CD2 4.21Å; Y328-F413 HydrophobicContact CE2-CD2 4.21Å; Y328-F413 AromaticContact CE2-CE2 3.97Å; Y328-F413 HydrophobicContact CE2-CE2 3.97Å; Y328-F413 AromaticContact CG-CD2 3.72Å; Y328-F413 HydrophobicContact CG-CD2 3.72Å; Y328-F413 HydrophobicContact CG-CE2 4.19Å; Y328-L534 HydrophobicContact CE2-CB 4.09Å; Y328-L534 WeakPolarHBondContact OH-CA 3.37Å; Y328-L534 PolarHBondContact OH-O 3.11Å; Y328-L538 HydrophobicContact CD1-CD1 4.15Å; Y328-L538 HydrophobicContact CD2-CD2 4.1Å; Y328-L538 HydrophobicContact CE1-CB 4.33Å; Y328-L538 HydrophobicContact CE1-CD1 4.34Å; Y328-L538 HydrophobicContact CE2-CB 4.16Å; Y328-L538 HydrophobicContact CE2-CD2 4.4Å; Y328-L538 HydrophobicContact CG-CD1 4.45Å; Y328-L538 HydrophobicContact CG-CD2 4.32Å
329	S	97.1	Very high	96.9	Very high	33 Å²	33	27.4 Å²	27.4	23%	0.231	14%	0.142	C	C	.	.	H	α-helix	trans	-68.1	-49.6	175	61.4	0	0	0	0	111.9	W325 K326 E327 N333	W325-S329 PolarHBondContact O-N 2.98Å; W325-S329 PolarHBondContact O-OG 3.48Å; K326-S329 WeakPolarHBondContact CA-OG 3.46Å; K326-S329 PolarHBondContact O-N 3.1Å; K326-S329 PolarHBondContact O-OG 3.42Å; E327-S329 PolarHBondContact O-N 3.05Å; S329-N333 VanDerWaalsContact O-CA 3.28Å; S329-N333 WeakPolarHBondContact O-CA 3.36Å; S329-N333 PolarHBondContact O-N 3.23Å; S329-N333 VanDerWaalsContact O-N 3.11Å
330	D	95.8	Very high	97	Very high	102 Å²	102	26.9 Å²	26.9	55%	0.545	14%	0.139	S	C	.	.	H	α-helix	trans	-74.9	-39.1	-168.3	-66.8	-0	0	0	0	111.9	K326 E327	K326-D330 WeakPolarHBondContact CG-OD2 3.35Å; K326-D330 VanDerWaalsContact O-CB 3.25Å; K326-D330 WeakPolarHBondContact O-CB 3.14Å; K326-D330 PolarHBondContact O-N 3.44Å; E327-D330 PolarHBondContact O-N 3.31Å
331	Y	95.5	Very high	97	Very high	51 Å²	51	20.9 Å²	20.9	20%	0.2	11%	0.107	C	C	.	.	H	α-helix	trans	-102.5	-32.5	-177.2	-55.8	-75.6	0	0	0	113	E327 T568 Q571 L572	E327-Y331 HydrophobicContact CB-CD2 4.19Å; E327-Y331 WeakPolarHBondContact O-CB 3.47Å; E327-Y331 VanDerWaalsContact O-CD2 3.29Å; E327-Y331 WeakPolarHBondContact O-CD2 3.25Å; E327-Y331 PolarHBondContact O-N 2.89Å; Y331-T568 HydrophobicContact CD1-CG2 3.77Å; Y331-T568 HydrophobicContact CG-CG2 4.45Å; Y331-Q571 HydrophobicContact CE1-CB 3.86Å; Y331-L572 HydrophobicContact CD1-CB 4.22Å; Y331-L572 HydrophobicContact CD2-CD1 3.46Å; Y331-L572 VanDerWaalsContact CD2-CD1 3.46Å; Y331-L572 HydrophobicContact CE1-CB 4.37Å; Y331-L572 HydrophobicContact CE2-CD1 3.76Å; Y331-L572 HydrophobicContact CG-CB 4.34Å; Y331-L572 HydrophobicContact CG-CD1 3.9Å
332	G	94.5	Very high	96.6	Very high	6 Å²	6	21.4 Å²	21.4	6%	0.062	11%	0.11	C	C	.	.	H	α-helix	trans	-93.6	-13	-178.1	0	0	0	0	0	114.9	Y328 Y334	Y328-G332 CarbonylContact O-C 3.34Å; Y328-G332 WeakPolarHBondContact O-CA 3.45Å; Y328-G332 PolarHBondContact O-N 3.49Å; G332-Y334 WeakPolarHBondContact O-CD2 3.45Å; G332-Y334 PolarHBondContact O-N 3.05Å
333	N	94.4	Very high	96.2	Very high	90 Å²	90	21.6 Å²	21.6	48%	0.481	11%	0.111	S	C	.	.			trans	57.2	36	-170.6	-173.6	50.8	0	0	0	112.9	Y328 S329	Y328-N333 PolarHBondContact O-N 2.98Å; S329-N333 VanDerWaalsContact O-CA 3.28Å; S329-N333 WeakPolarHBondContact O-CA 3.36Å; S329-N333 PolarHBondContact O-N 3.23Å; S329-N333 VanDerWaalsContact O-N 3.11Å
334	Y	97	Very high	95.7	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.012	14%	0.142	C	C	.	.			trans	-76.2	150.1	174.1	-79	-121.6	0	0	0	111.2	M233 Y234 I236 Y328 G332 P411 F413 Q541	M233-Y334 HydrophobicContact CB-CE2 4.42Å; M233-Y334 HydrophobicContact CG-CE2 4.44Å; M233-Y334 HydrophobicContact SD-CE2 4.02Å; Y234-Y334 WeakPolarHBondContact O-CE1 3.37Å; Y234-Y334 PolarHBondContact O-OH 3.33Å; I236-Y334 HydrophobicContact CG1-CE1 4.18Å; Y328-Y334 AromaticContact CD1-CD1 3.76Å; Y328-Y334 HydrophobicContact CD1-CD1 3.76Å; Y328-Y334 AromaticContact CD1-CD2 3.83Å; Y328-Y334 HydrophobicContact CD1-CD2 3.83Å; Y328-Y334 AromaticContact CD1-CE1 3.66Å; Y328-Y334 HydrophobicContact CD1-CE1 3.66Å; Y328-Y334 AromaticContact CD1-CE2 3.76Å; Y328-Y334 HydrophobicContact CD1-CE2 3.76Å; Y328-Y334 AromaticContact CD1-CG 3.85Å; Y328-Y334 HydrophobicContact CD1-CG 3.85Å; Y328-Y334 AromaticContact CD1-CZ 3.68Å; Y328-Y334 HydrophobicContact CE1-CD1 4.5Å; Y328-Y334 AromaticContact CE1-CE1 3.98Å; Y328-Y334 HydrophobicContact CE1-CE1 3.98Å; Y328-Y334 HydrophobicContact CE1-CE2 4.28Å; Y328-Y334 AromaticContact CE1-CZ 3.87Å; Y328-Y334 WeakPolarHBondContact O-CB 3.46Å; Y328-Y334 WeakPolarHBondContact O-CD2 3.48Å; Y328-Y334 PolarHBondContact O-N 3.44Å; Y328-Y334 VanDerWaalsContact O-N 3.14Å; G332-Y334 WeakPolarHBondContact O-CD2 3.45Å; G332-Y334 PolarHBondContact O-N 3.05Å; Y334-P411 CarbonylContact C-O 3.35Å; Y334-P411 VanDerWaalsContact CA-O 3.25Å; Y334-P411 WeakPolarHBondContact CA-O 3.36Å; Y334-P411 HydrophobicContact CD1-CB 3.8Å; Y334-P411 HydrophobicContact CD1-CG 4.26Å; Y334-P411 HydrophobicContact CD2-CB 3.97Å; Y334-P411 HydrophobicContact CD2-CG 3.62Å; Y334-P411 HydrophobicContact CE1-CB 3.62Å; Y334-P411 HydrophobicContact CE1-CG 4.36Å; Y334-P411 HydrophobicContact CE2-CB 3.77Å; Y334-P411 HydrophobicContact CE2-CG 3.71Å; Y334-P411 HydrophobicContact CG-CB 3.98Å; Y334-P411 HydrophobicContact CG-CG 3.9Å; Y334-F413 HydrophobicContact CD1-CB 3.95Å; Y334-Q541 PolarHBondContact OH-NE2 2.7Å; Y334-Q541 PolarHBondContact OH-OE1 2.76Å
335	V	96.4	Very high	95.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	142.2	155.5	-70.3	0	0	0	0	109.6	T363 F403 Y407 R410 P411 R412 F413	V335-T363 HydrophobicContact CG1-CG2 4.38Å; V335-F403 HydrophobicContact CB-CE2 3.91Å; V335-F403 HydrophobicContact CB-CZ 4Å; V335-F403 HydrophobicContact CG2-CE2 3.71Å; V335-F403 HydrophobicContact CG2-CZ 3.53Å; V335-Y407 HydrophobicContact CB-CD1 4.33Å; V335-Y407 HydrophobicContact CB-CG 4.18Å; V335-Y407 HydrophobicContact CG1-CD1 3.62Å; V335-Y407 HydrophobicContact CG1-CE1 4.08Å; V335-Y407 HydrophobicContact CG1-CG 3.95Å; V335-Y407 VanDerWaalsContact CG2-CB 3.48Å; V335-Y407 HydrophobicContact CG2-CD1 4.38Å; V335-Y407 HydrophobicContact CG2-CD2 4.33Å; V335-Y407 HydrophobicContact CG2-CG 3.85Å; V335-R410 HydrophobicContact CG1-CB 4.43Å; V335-P411 WeakPolarHBondContact CG2-O 3.12Å; V335-P411 PolarHBondContact N-O 2.86Å; V335-R412 HydrophobicContact CG2-CB 4.15Å; V335-R412 HydrophobicContact CG2-CG 3.52Å; V335-F413 PolarHBondContact O-N 3.31Å
336	T	98.1	Very high	94.8	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140	-175	52.4	0	0	0	0	111	W325 T362 T363 S364 F413	W325-T336 HydrophobicContact CB-CG2 3.84Å; W325-T336 VanDerWaalsContact O-CG2 3.26Å; W325-T336 WeakPolarHBondContact O-CG2 3.46Å; T336-T362 WeakPolarHBondContact OG1-CA 3.38Å; T336-T363 PolarHBondContact N-OG1 2.81Å; T336-T363 WeakPolarHBondContact O-CA 3.16Å; T336-T363 VanDerWaalsContact O-CB 3.26Å; T336-T363 WeakPolarHBondContact O-CB 3.47Å; T336-T363 PolarHBondContact O-N 3.46Å; T336-T363 PolarHBondContact OG1-N 3.08Å; T336-T363 PolarHBondContact OG1-OG1 3.45Å; T336-S364 PolarHBondContact O-N 3.21Å; T336-F413 CarbonylContact C-O 3.55Å; T336-F413 VanDerWaalsContact CA-O 3.24Å; T336-F413 WeakPolarHBondContact CA-O 2.91Å; T336-F413 HydrophobicContact CG2-CB 4.23Å
337	H	98.2	Very high	94.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.3	179.6	172.9	-114.7	0	0	0	110.7	I339 S364 S399 F403 F413 S414 L415	H337-I339 VanDerWaalsContact CE1-CG2 3.45Å; H337-I339 WeakPolarHBondContact CE1-CG2 3.47Å; H337-S364 VanDerWaalsContact CA-O 3.28Å; H337-S364 WeakPolarHBondContact CA-O 3.46Å; H337-S399 PolarHBondContact NE2-OG 2.94Å; H337-F403 HydrophobicContact CB-CD1 3.51Å; H337-F403 HydrophobicContact CB-CD2 3.75Å; H337-F403 HydrophobicContact CB-CE1 3.42Å; H337-F403 VanDerWaalsContact CB-CE1 3.42Å; H337-F403 HydrophobicContact CB-CE2 3.68Å; H337-F403 HydrophobicContact CB-CG 3.67Å; H337-F403 HydrophobicContact CB-CZ 3.51Å; H337-F403 AromaticContact CG-CD1 3.92Å; H337-F403 AromaticContact CG-CG 3.89Å; H337-F413 PolarHBondContact N-O 2.77Å; H337-S414 PolarHBondContact ND1-OG 3.18Å; H337-S414 WeakPolarHBondContact O-CA 3.36Å; H337-L415 PolarHBondContact O-N 3.4Å
338	Y	97.9	Very high	94.6	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	128.1	172	173.9	-139.3	0	0	0	111.3	E340 F348 F355 T362 S364 Y365 G366 L415	Y338-E340 HydrophobicContact CE2-CB 4.08Å; Y338-E340 PolarHBondContact OH-OE2 2.83Å; Y338-F348 AromaticContact CE1-CD2 3.9Å; Y338-F348 HydrophobicContact CE1-CD2 3.9Å; Y338-F348 AromaticContact CE1-CE2 3.97Å; Y338-F348 HydrophobicContact CE1-CE2 3.97Å; Y338-F348 AromaticContact CZ-CD2 3.93Å; Y338-F348 AromaticContact CZ-CE2 3.77Å; Y338-F348 WeakPolarHBondContact OH-CD2 3.36Å; Y338-F348 WeakPolarHBondContact OH-CE2 3.3Å; Y338-F355 HydrophobicContact CE1-CE2 4.42Å; Y338-T362 PolarHBondContact N-OG1 3.03Å; Y338-S364 PolarHBondContact N-O 3.06Å; Y338-Y365 AromaticContact CD1-CD2 3.88Å; Y338-Y365 HydrophobicContact CD1-CD2 3.88Å; Y338-Y365 AromaticContact CD1-CE2 3.55Å; Y338-Y365 HydrophobicContact CD1-CE2 3.55Å; Y338-Y365 AromaticContact CE1-CE2 3.87Å; Y338-Y365 HydrophobicContact CE1-CE2 3.87Å; Y338-Y365 HydrophobicContact CG-CD2 4.47Å; Y338-Y365 HydrophobicContact CG-CE2 4.49Å; Y338-Y365 WeakPolarHBondContact O-CA 3.29Å; Y338-G366 PolarHBondContact O-N 3.45Å; Y338-L415 VanDerWaalsContact CA-O 3.28Å; Y338-L415 WeakPolarHBondContact CA-O 3.33Å; Y338-L415 HydrophobicContact CD2-CB 4.07Å; Y338-L415 HydrophobicContact CD2-CD2 3.68Å; Y338-L415 HydrophobicContact CD2-CG 3.82Å; Y338-L415 HydrophobicContact CE2-CD2 3.79Å; Y338-L415 HydrophobicContact CE2-CG 4.18Å
339	I	97.8	Very high	94.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	141	174.2	-166.1	170	0	0	0	111	C208 H337 L370 L396 L415 T416 F417	C208-I339 HydrophobicContact CB-CD1 3.89Å; H337-I339 VanDerWaalsContact CE1-CG2 3.45Å; H337-I339 WeakPolarHBondContact CE1-CG2 3.47Å; I339-L370 HydrophobicContact CD1-CD1 4.06Å; I339-L370 HydrophobicContact CG1-CD1 3.72Å; I339-L396 HydrophobicContact CD1-CD1 4.14Å; I339-L396 HydrophobicContact CD1-CG 3.95Å; I339-L396 HydrophobicContact CG1-CD1 4.33Å; I339-L396 HydrophobicContact CG1-CG 3.94Å; I339-L396 HydrophobicContact CG2-CB 4.45Å; I339-L396 HydrophobicContact CG2-CD2 4.45Å; I339-L396 HydrophobicContact CG2-CG 4.04Å; I339-L415 PolarHBondContact N-O 3.3Å; I339-L415 VanDerWaalsContact N-O 3.12Å; I339-T416 HydrophobicContact CG2-CG2 3.94Å; I339-F417 PolarHBondContact O-N 3.33Å
340	E	97	Very high	94.1	Very high	9 Å²	9	32.6 Å²	32.6	4%	0.042	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	138.9	-179.4	176.6	-174.9	-174.9	0	0	109.4	Y338 T342 T347 L370 F417	Y338-E340 HydrophobicContact CE2-CB 4.08Å; Y338-E340 PolarHBondContact OH-OE2 2.83Å; E340-T342 PolarHBondContact OE1-OG1 3.37Å; E340-T347 PolarHBondContact OE1-N 2.89Å; E340-T347 PolarHBondContact OE1-OG1 3.49Å; E340-T347 WeakPolarHBondContact OE2-CB 3.42Å; E340-T347 PolarHBondContact OE2-N 3.49Å; E340-T347 PolarHBondContact OE2-OG1 2.92Å; E340-L370 WeakPolarHBondContact O-CD1 3.39Å; E340-F417 WeakPolarHBondContact CA-O 3.41Å; E340-F417 HydrophobicContact CB-CB 4.26Å; E340-F417 HydrophobicContact CG-CB 4.38Å; E340-F417 HydrophobicContact CG-CD1 4.2Å
341	D	94.4	Very high	93.8	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.011	13%	0.134	C	C	.	.	S	Bend	trans	-92.1	9.4	-167.5	58.3	-2.4	0	0	0	116.9	P343 T392 L396 S419 E420	D341-P343 WeakPolarHBondContact O-CD 3.5Å; D341-T392 HydrophobicContact CB-CG2 3.36Å; D341-L396 HydrophobicContact CB-CD1 3.83Å; D341-L396 HydrophobicContact CB-CD2 3.78Å; D341-L396 HydrophobicContact CB-CG 4.48Å; D341-S419 WeakPolarHBondContact OD1-CA 3.42Å; D341-S419 PolarHBondContact OD1-N 3.09Å; D341-E420 HydrophobicContact CB-CB 4.26Å; D341-E420 PolarHBondContact OD1-N 3.18Å; D341-E420 PolarHBondContact OD2-N 3.06Å
342	T	88.7	Confident	93.7	Very high	15 Å²	15	27.3 Å²	27.3	9%	0.092	13%	0.125	C	C	.	.			trans	-111.1	73.3	178.4	52.9	0	0	0	0	112.8	E340 K344 W345 G346 S419 E420	E340-T342 PolarHBondContact OE1-OG1 3.37Å; T342-K344 PolarHBondContact O-N 2.87Å; T342-K344 VanDerWaalsContact O-N 3.09Å; T342-W345 CarbonylContact O-C 3.2Å; T342-W345 PolarHBondContact O-N 2.8Å; T342-W345 VanDerWaalsContact O-N 3.1Å; T342-G346 WeakPolarHBondContact O-CA 3.45Å; T342-G346 PolarHBondContact O-N 2.95Å; T342-S419 WeakPolarHBondContact CG2-OG 3.34Å; T342-E420 HydrophobicContact CG2-CB 3.96Å; T342-E420 HydrophobicContact CG2-CG 4.39Å
343	P	90.3	Very high	93.5	Very high	21 Å²	21	27.2 Å²	27.2	14%	0.136	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44	-45.7	175.6	-36.5	39.5	0	0	0	115.1	D341 R367 L370 I371	D341-P343 WeakPolarHBondContact O-CD 3.5Å; P343-R367 PolarHBondContact O-NH2 2.98Å; P343-L370 HydrophobicContact CG-CB 3.88Å; P343-L370 VanDerWaalsContact CG-O 3.24Å; P343-L370 WeakPolarHBondContact CG-O 3.38Å; P343-I371 HydrophobicContact CB-CD1 3.85Å
344	K	86.2	Confident	93.4	Very high	153 Å²	153	22.9 Å²	22.9	67%	0.665	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-38.7	-178	-175.8	178.4	177.5	-178	0	113.3	T342	T342-K344 PolarHBondContact O-N 2.87Å; T342-K344 VanDerWaalsContact O-N 3.09Å
345	W	87.1	Confident	93.3	Very high	143 Å²	143	23 Å²	23	54%	0.542	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	22.7	-172.1	-54.9	122.7	0	0	0	113	T342 H350	T342-W345 CarbonylContact O-C 3.2Å; T342-W345 PolarHBondContact O-N 2.8Å; T342-W345 VanDerWaalsContact O-N 3.1Å; W345-H350 AromaticContact CE3-CD2 3.32Å; W345-H350 AromaticContact CE3-CE1 3.64Å; W345-H350 AromaticContact CE3-CG 3.75Å; W345-H350 AromaticContact CE3-ND1 3.92Å; W345-H350 AromaticContact CE3-NE2 3.27Å; W345-H350 VanDerWaalsContact CE3-NE2 3.27Å; W345-H350 AromaticContact CZ3-CD2 3.58Å; W345-H350 AromaticContact CZ3-CE1 3.75Å; W345-H350 AromaticContact CZ3-NE2 3.13Å; W345-H350 WeakPolarHBondContact CZ3-NE2 3.39Å
346	G	92.4	Very high	93.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.101	C	C	.	.			trans	-54.7	141	-169.8	0	0	0	0	0	113	T342 F348 Q349 H350	T342-G346 WeakPolarHBondContact O-CA 3.45Å; T342-G346 PolarHBondContact O-N 2.95Å; G346-F348 PolarHBondContact O-N 3.33Å; G346-Q349 PolarHBondContact O-N 2.66Å; G346-H350 WeakPolarHBondContact O-CB 3.3Å; G346-H350 PolarHBondContact O-N 2.61Å
347	T	94.8	Very high	92.8	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-42.1	-170.3	-64.6	0	0	0	0	113.5	T280 T281 L284 E340	T280-T347 HydrophobicContact CG2-CG2 3.9Å; T280-T347 VanDerWaalsContact CG2-OG1 3.24Å; T280-T347 WeakPolarHBondContact CG2-OG1 3.3Å; T281-T347 PolarHBondContact OG1-O 3.48Å; L284-T347 HydrophobicContact CB-CG2 4.21Å; L284-T347 HydrophobicContact CD1-CG2 3.94Å; L284-T347 HydrophobicContact CG-CG2 4.48Å; E340-T347 PolarHBondContact OE1-N 2.89Å; E340-T347 PolarHBondContact OE1-OG1 3.49Å; E340-T347 WeakPolarHBondContact OE2-CB 3.42Å; E340-T347 PolarHBondContact OE2-N 3.49Å; E340-T347 PolarHBondContact OE2-OG1 2.92Å
348	F	95.5	Very high	92.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	3.2	-174.2	-55.9	-58.8	0	0	0	113.6	L284 L285 L288 L318 W323 W325 Y338 G346 L352 G354 F355	L284-F348 HydrophobicContact CB-CZ 4.31Å; L285-F348 HydrophobicContact CD2-CD1 4.43Å; L285-F348 HydrophobicContact CD2-CE1 3.94Å; L285-F348 HydrophobicContact CG-CE1 4.3Å; L288-F348 HydrophobicContact CD1-CE2 4.29Å; L288-F348 HydrophobicContact CD1-CZ 3.64Å; L318-F348 HydrophobicContact CD2-CB 3.64Å; L318-F348 HydrophobicContact CD2-CD1 4.46Å; L318-F348 HydrophobicContact CD2-CG 4.3Å; W323-F348 AromaticContact CH2-CD1 3.88Å; W323-F348 HydrophobicContact CH2-CD1 3.88Å; W323-F348 AromaticContact CH2-CE1 3.66Å; W323-F348 HydrophobicContact CH2-CE1 3.66Å; W323-F348 HydrophobicContact CH2-CG 4.42Å; W323-F348 HydrophobicContact CH2-CZ 4.03Å; W323-F348 AromaticContact CZ3-CE1 3.95Å; W323-F348 HydrophobicContact CZ3-CE1 3.95Å; W323-F348 AromaticContact CZ3-CZ 3.97Å; W323-F348 HydrophobicContact CZ3-CZ 3.97Å; W325-F348 HydrophobicContact CH2-CE2 4.28Å; Y338-F348 AromaticContact CE1-CD2 3.9Å; Y338-F348 HydrophobicContact CE1-CD2 3.9Å; Y338-F348 AromaticContact CE1-CE2 3.97Å; Y338-F348 HydrophobicContact CE1-CE2 3.97Å; Y338-F348 AromaticContact CZ-CD2 3.93Å; Y338-F348 AromaticContact CZ-CE2 3.77Å; Y338-F348 WeakPolarHBondContact OH-CD2 3.36Å; Y338-F348 WeakPolarHBondContact OH-CE2 3.3Å; G346-F348 PolarHBondContact O-N 3.33Å; F348-L352 HydrophobicContact CD1-CD1 4.31Å; F348-L352 CarbonylContact O-C 3.55Å; F348-L352 WeakPolarHBondContact O-CB 3.36Å; F348-G354 WeakPolarHBondContact O-CA 3.48Å; F348-G354 PolarHBondContact O-N 2.8Å; F348-F355 HydrophobicContact CB-CE2 4.04Å; F348-F355 HydrophobicContact CB-CZ 4.41Å; F348-F355 AromaticContact CD2-CE2 3.9Å; F348-F355 HydrophobicContact CD2-CE2 3.9Å; F348-F355 HydrophobicContact CD2-CZ 4.04Å; F348-F355 HydrophobicContact CG-CE2 4.23Å; F348-F355 HydrophobicContact CG-CZ 4.28Å
349	Q	93.2	Very high	91.9	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.019	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-17.6	-173.7	-61.9	84.4	6.8	0	0	112.7	D152 Y153 K301 G346 L352 Y365	D152-Q349 WeakPolarHBondContact OD2-CG 3.49Å; D152-Q349 PolarHBondContact OD2-NE2 2.85Å; Y153-Q349 HydrophobicContact CE1-CB 3.84Å; Y153-Q349 HydrophobicContact CE1-CG 4.36Å; K301-Q349 WeakPolarHBondContact CE-O 3.25Å; K301-Q349 PolarHBondContact NZ-O 2.66Å; G346-Q349 PolarHBondContact O-N 2.66Å; Q349-L352 CarbonylContact C-O 3.6Å; Q349-L352 WeakPolarHBondContact CA-O 3.28Å; Q349-Y365 PolarHBondContact NE2-OH 3.3Å
350	H	90.6	Very high	91.6	Very high	73 Å²	73	37.4 Å²	37.4	34%	0.338	18%	0.178	S	C	.	.	S	Bend	trans	-69.4	-69.6	178.1	176.7	-140.7	0	0	0	110.1	K301 W345 G346	K301-H350 PolarHBondContact NZ-O 2.63Å; W345-H350 AromaticContact CE3-CD2 3.32Å; W345-H350 AromaticContact CE3-CE1 3.64Å; W345-H350 AromaticContact CE3-CG 3.75Å; W345-H350 AromaticContact CE3-ND1 3.92Å; W345-H350 AromaticContact CE3-NE2 3.27Å; W345-H350 VanDerWaalsContact CE3-NE2 3.27Å; W345-H350 AromaticContact CZ3-CD2 3.58Å; W345-H350 AromaticContact CZ3-CE1 3.75Å; W345-H350 AromaticContact CZ3-NE2 3.13Å; W345-H350 WeakPolarHBondContact CZ3-NE2 3.39Å; G346-H350 WeakPolarHBondContact O-CB 3.3Å; G346-H350 PolarHBondContact O-N 2.61Å
351	R	89.9	Confident	91.6	Very high	42 Å²	42	38 Å²	38	16%	0.158	18%	0.183	C	C	.	.	S	Bend	trans	-91.3	-32.8	-179	-50.5	-173.4	-140.2	118.6	6.7	112.6	R300 K301 E678 D679	R300-R351 CarbonylContact C-O 3.26Å; R300-R351 WeakPolarHBondContact CA-O 3.18Å; K301-R351 PolarHBondContact N-O 3.37Å; R351-E678 WeakPolarHBondContact CD-O 3.33Å; R351-D679 PolarHBondContact NH1-O 2.79Å
352	L	92.6	Very high	91.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-90.3	162.6	178.3	-46.3	-173.9	0	0	0	111.6	T281 L285 S299 R300 K301 L318 F348 Q349 G354	T281-L352 HydrophobicContact CG2-CD1 3.67Å; T281-L352 HydrophobicContact CG2-CD2 4.38Å; T281-L352 HydrophobicContact CG2-CG 3.96Å; L285-L352 HydrophobicContact CD1-CD1 4.24Å; S299-L352 CarbonylContact O-C 3.47Å; S299-L352 WeakPolarHBondContact O-CA 3.47Å; R300-L352 HydrophobicContact CG-CD2 3.73Å; K301-L352 WeakPolarHBondContact CE-O 3.45Å; L318-L352 HydrophobicContact CD1-CB 4.12Å; L318-L352 HydrophobicContact CD2-CB 4.35Å; L318-L352 HydrophobicContact CD2-CD1 4.4Å; F348-L352 HydrophobicContact CD1-CD1 4.31Å; F348-L352 CarbonylContact O-C 3.55Å; F348-L352 WeakPolarHBondContact O-CB 3.36Å; Q349-L352 CarbonylContact C-O 3.6Å; Q349-L352 WeakPolarHBondContact CA-O 3.28Å; L352-G354 PolarHBondContact O-N 2.9Å
353	C	91.1	Very high	92	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.027	20%	0.199	C	C	.	.			trans	-71.5	-8	-172.4	64.3	0	0	0	0	115.7	Y153 S299 L304 L309 L318	Y153-C353 PolarHBondContact OH-O 2.94Å; S299-C353 PolarHBondContact O-N 3.22Å; L304-C353 HydrophobicContact CD1-CB 3.89Å; L309-C353 HydrophobicContact CD1-CB 3.43Å; L309-C353 VanDerWaalsContact CD1-CB 3.43Å; L309-C353 HydrophobicContact CD2-CB 3.84Å; L309-C353 HydrophobicContact CG-CB 4.29Å; L318-C353 WeakPolarHBondContact CD1-SG 3.45Å
354	G	93.5	Very high	92.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.			trans	76.1	-179.6	-175.6	0	0	0	0	0	113.1	T316 F348 L352	T316-G354 WeakPolarHBondContact CB-O 3.43Å; T316-G354 PolarHBondContact OG1-O 3.1Å; F348-G354 WeakPolarHBondContact O-CA 3.48Å; F348-G354 PolarHBondContact O-N 2.8Å; L352-G354 PolarHBondContact O-N 2.9Å
355	F	94.4	Very high	92.7	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.026	17%	0.165	C	C	.	.			trans	-87	153.9	-179	-61.8	-77.8	0	0	0	112.4	D152 L318 W323 W325 Y338 F348 P361	D152-F355 WeakPolarHBondContact CB-O 3.3Å; D152-F355 PolarHBondContact OD2-N 3.2Å; L318-F355 HydrophobicContact CB-CD1 4.04Å; L318-F355 HydrophobicContact CB-CE1 4.08Å; L318-F355 HydrophobicContact CD2-CE1 4.35Å; L318-F355 HydrophobicContact CD2-CZ 4.35Å; W323-F355 AromaticContact CE2-CE1 3.77Å; W323-F355 HydrophobicContact CH2-CZ 4.31Å; W323-F355 AromaticContact CZ2-CE1 3.65Å; W323-F355 HydrophobicContact CZ2-CE1 3.65Å; W323-F355 AromaticContact CZ2-CZ 3.8Å; W323-F355 HydrophobicContact CZ2-CZ 3.8Å; W323-F355 AromaticContact NE1-CE1 3.73Å; W325-F355 HydrophobicContact CZ2-CZ 4.23Å; Y338-F355 HydrophobicContact CE1-CE2 4.42Å; F348-F355 HydrophobicContact CB-CE2 4.04Å; F348-F355 HydrophobicContact CB-CZ 4.41Å; F348-F355 AromaticContact CD2-CE2 3.9Å; F348-F355 HydrophobicContact CD2-CE2 3.9Å; F348-F355 HydrophobicContact CD2-CZ 4.04Å; F348-F355 HydrophobicContact CG-CE2 4.23Å; F348-F355 HydrophobicContact CG-CZ 4.28Å; F355-P361 HydrophobicContact CD1-CB 3.75Å; F355-P361 HydrophobicContact CD1-CG 4.23Å; F355-P361 HydrophobicContact CD2-CB 4.18Å; F355-P361 HydrophobicContact CD2-CG 3.81Å; F355-P361 HydrophobicContact CE1-CB 3.65Å; F355-P361 HydrophobicContact CE1-CG 4.35Å; F355-P361 HydrophobicContact CE2-CB 4.09Å; F355-P361 HydrophobicContact CE2-CG 3.94Å; F355-P361 HydrophobicContact CG-CB 4Å; F355-P361 HydrophobicContact CG-CG 3.96Å; F355-P361 HydrophobicContact CZ-CB 3.83Å; F355-P361 HydrophobicContact CZ-CG 4.21Å
356	G	92.1	Very high	93.1	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.01	14%	0.14	C	C	.	.			trans	-62.1	160.9	176.3	0	0	0	0	0	113.7	R149 T316 D319	R149-G356 PolarHBondContact NH1-O 3Å; R149-G356 PolarHBondContact NH2-O 2.83Å; T316-G356 PolarHBondContact OG1-N 2.72Å; D319-G356 PolarHBondContact OD1-N 2.92Å; D319-G356 VanDerWaalsContact OD2-CA 3.24Å; D319-G356 WeakPolarHBondContact OD2-CA 3.17Å; D319-G356 PolarHBondContact OD2-N 2.91Å
357	S	91.5	Very high	93.2	Very high	31 Å²	31	26.9 Å²	26.9	22%	0.217	14%	0.142	C	C	.	.	S	Bend	trans	-78.3	-26	-179.5	60	0	0	0	0	113.6	L150 D313 N314	L150-S357 WeakPolarHBondContact O-CB 3.39Å; D313-S357 PolarHBondContact O-N 3.48Å; D313-S357 VanDerWaalsContact O-N 3.15Å; D313-S357 PolarHBondContact O-OG 2.88Å; N314-S357 PolarHBondContact O-N 2.8Å
358	M	89	Confident	93.3	Very high	118 Å²	118	27 Å²	27	58%	0.581	14%	0.143	S	C	*	.	S	Bend	trans	-73.7	-37.2	-173.9	-170.9	63.9	179.3	0	0	112.8	N314 Y315	N314-M358 HydrophobicContact CB-CB 4.13Å; N314-M358 WeakPolarHBondContact O-CB 3.43Å; N314-M358 PolarHBondContact O-N 2.79Å; N314-M358 VanDerWaalsContact O-N 3.07Å; Y315-M358 HydrophobicContact CE2-CB 4.46Å; Y315-M358 HydrophobicContact CE2-CG 4.49Å
359	N	87.5	Confident	93.3	Very high	80 Å²	80	27 Å²	27	43%	0.428	14%	0.143	S	C	.	.	S	Bend	trans	-125.3	146.1	-175.7	-64.5	-52.6	0	0	0	111.2	R149 Y315	R149-N359 PolarHBondContact NH1-O 2.89Å; Y315-N359 VanDerWaalsContact CE1-ND2 3.26Å; Y315-N359 WeakPolarHBondContact CE1-ND2 3.43Å
360	N	92.8	Very high	93.5	Very high	81 Å²	81	27 Å²	27	43%	0.433	14%	0.143	S	C	.	.			trans	-83.8	145.2	166.4	-66.9	-24.9	0	0	0	109.2	R149 T362 Y365	R149-N360 WeakPolarHBondContact CD-OD1 3.24Å; R149-N360 PolarHBondContact NH1-OD1 2.99Å; N360-T362 VanDerWaalsContact CB-O 3.32Å; N360-T362 WeakPolarHBondContact CB-O 3.39Å; N360-T362 PolarHBondContact O-N 3.49Å; N360-Y365 HydrophobicContact CB-CD1 4.43Å
361	P	95.3	Very high	93.8	Very high	21 Å²	21	24.1 Å²	24.1	14%	0.136	13%	0.13	C	C	.	.	S	Bend	trans	-64.5	-26.3	176.8	26.1	-35.1	0	0	0	112.8	W325 F355 Y365	W325-P361 HydrophobicContact CZ2-CB 4.3Å; W325-P361 PolarHBondContact NE1-O 3.13Å; W325-P361 VanDerWaalsContact NE1-O 3.15Å; F355-P361 HydrophobicContact CD1-CB 3.75Å; F355-P361 HydrophobicContact CD1-CG 4.23Å; F355-P361 HydrophobicContact CD2-CB 4.18Å; F355-P361 HydrophobicContact CD2-CG 3.81Å; F355-P361 HydrophobicContact CE1-CB 3.65Å; F355-P361 HydrophobicContact CE1-CG 4.35Å; F355-P361 HydrophobicContact CE2-CB 4.09Å; F355-P361 HydrophobicContact CE2-CG 3.94Å; F355-P361 HydrophobicContact CG-CB 4Å; F355-P361 HydrophobicContact CG-CG 3.96Å; F355-P361 HydrophobicContact CZ-CB 3.83Å; F355-P361 HydrophobicContact CZ-CG 4.21Å; P361-Y365 HydrophobicContact CG-CD1 4.24Å; P361-Y365 HydrophobicContact CG-CD2 3.88Å; P361-Y365 HydrophobicContact CG-CE1 4.18Å; P361-Y365 HydrophobicContact CG-CE2 3.85Å; P361-Y365 HydrophobicContact CG-CG 4.07Å
362	T	96.7	Very high	94.1	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.043	12%	0.122	C	C	.	.	S	Bend	trans	-133.8	163.2	-178.7	52.5	0	0	0	0	111.5	W325 T336 Y338 N360 S364	W325-T362 HydrophobicContact CD2-CG2 4.07Å; W325-T362 HydrophobicContact CG-CG2 4.08Å; T336-T362 WeakPolarHBondContact OG1-CA 3.38Å; Y338-T362 PolarHBondContact N-OG1 3.03Å; N360-T362 VanDerWaalsContact CB-O 3.32Å; N360-T362 WeakPolarHBondContact CB-O 3.39Å; N360-T362 PolarHBondContact O-N 3.49Å; T362-S364 VanDerWaalsContact C-N 3.33Å; T362-S364 WeakPolarHBondContact CB-O 3.5Å; T362-S364 PolarHBondContact O-N 3.42Å; T362-S364 PolarHBondContact OG1-O 2.76Å
363	T	94.9	Very high	94.3	Very high	64 Å²	64	22.1 Å²	22.1	39%	0.393	12%	0.123	S	C	.	.	S	Bend	trans	-59.6	-44.7	178.5	-54.8	0	0	0	0	111.4	V335 T336	V335-T363 HydrophobicContact CG1-CG2 4.38Å; T336-T363 PolarHBondContact N-OG1 2.81Å; T336-T363 WeakPolarHBondContact O-CA 3.16Å; T336-T363 VanDerWaalsContact O-CB 3.26Å; T336-T363 WeakPolarHBondContact O-CB 3.47Å; T336-T363 PolarHBondContact O-N 3.46Å; T336-T363 PolarHBondContact OG1-N 3.08Å; T336-T363 PolarHBondContact OG1-OG1 3.45Å
364	S	95.4	Very high	94.5	Very high	11 Å²	11	23.3 Å²	23.3	8%	0.077	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.6	168.1	-177.2	0	0	0	0	109.8	S210 T336 H337 Y338 T362	S210-S364 WeakPolarHBondContact CB-OG 3.34Å; S210-S364 WeakPolarHBondContact OG-CB 3.09Å; S210-S364 PolarHBondContact OG-OG 2.84Å; T336-S364 PolarHBondContact O-N 3.21Å; H337-S364 VanDerWaalsContact CA-O 3.28Å; H337-S364 WeakPolarHBondContact CA-O 3.46Å; Y338-S364 PolarHBondContact N-O 3.06Å; T362-S364 VanDerWaalsContact C-N 3.33Å; T362-S364 WeakPolarHBondContact CB-O 3.5Å; T362-S364 PolarHBondContact O-N 3.42Å; T362-S364 PolarHBondContact OG1-O 2.76Å
365	Y	95.7	Very high	94.5	Very high	6 Å²	6	26.1 Å²	26.1	2%	0.024	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	108.3	-174.9	-179	-137.4	0	0	0	109.1	D152 Y338 Q349 N360 P361 R367 P368	D152-Y365 VanDerWaalsContact OD1-CE1 3.22Å; D152-Y365 WeakPolarHBondContact OD1-CE1 3.1Å; D152-Y365 PolarHBondContact OD1-OH 3.5Å; D152-Y365 PolarHBondContact OD2-OH 2.76Å; Y338-Y365 AromaticContact CD1-CD2 3.88Å; Y338-Y365 HydrophobicContact CD1-CD2 3.88Å; Y338-Y365 AromaticContact CD1-CE2 3.55Å; Y338-Y365 HydrophobicContact CD1-CE2 3.55Å; Y338-Y365 AromaticContact CE1-CE2 3.87Å; Y338-Y365 HydrophobicContact CE1-CE2 3.87Å; Y338-Y365 HydrophobicContact CG-CD2 4.47Å; Y338-Y365 HydrophobicContact CG-CE2 4.49Å; Y338-Y365 WeakPolarHBondContact O-CA 3.29Å; Q349-Y365 PolarHBondContact NE2-OH 3.3Å; N360-Y365 HydrophobicContact CB-CD1 4.43Å; P361-Y365 HydrophobicContact CG-CD1 4.24Å; P361-Y365 HydrophobicContact CG-CD2 3.88Å; P361-Y365 HydrophobicContact CG-CE1 4.18Å; P361-Y365 HydrophobicContact CG-CE2 3.85Å; P361-Y365 HydrophobicContact CG-CG 4.07Å; Y365-R367 HydrophobicContact CD1-CB 4.45Å; Y365-R367 HydrophobicContact CD2-CB 4.25Å; Y365-R367 HydrophobicContact CE1-CB 3.87Å; Y365-R367 HydrophobicContact CE2-CB 3.62Å; Y365-R367 VanDerWaalsContact CZ-CB 3.44Å; Y365-R367 WeakPolarHBondContact OH-CD 3.27Å; Y365-P368 HydrophobicContact CD1-CG 4.31Å; Y365-P368 VanDerWaalsContact O-CD 3.22Å; Y365-P368 WeakPolarHBondContact O-CD 3.19Å
366	G	96	Very high	94.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.01	15%	0.151	C	C	.	.			trans	-82.2	-13.3	-169.3	0	0	0	0	0	115.1	Y338 P368 C369 L370	Y338-G366 PolarHBondContact O-N 3.45Å; G366-P368 VanDerWaalsContact C-CD 3.41Å; G366-C369 WeakPolarHBondContact O-CB 3.12Å; G366-C369 PolarHBondContact O-N 3.27Å; G366-C369 VanDerWaalsContact O-N 3.17Å; G366-L370 PolarHBondContact O-N 2.93Å
367	R	95.8	Very high	94.4	Very high	12 Å²	12	28 Å²	28	5%	0.045	15%	0.153	C	C	.	.	H	α-helix	trans	-51.8	-44.3	-177.7	-176.6	177.6	-179.2	74.5	4.1	114.2	D152 P343 Y365 C369 L370 I371	D152-R367 PolarHBondContact O-NE 3.18Å; P343-R367 PolarHBondContact O-NH2 2.98Å; Y365-R367 HydrophobicContact CD1-CB 4.45Å; Y365-R367 HydrophobicContact CD2-CB 4.25Å; Y365-R367 HydrophobicContact CE1-CB 3.87Å; Y365-R367 HydrophobicContact CE2-CB 3.62Å; Y365-R367 VanDerWaalsContact CZ-CB 3.44Å; Y365-R367 WeakPolarHBondContact OH-CD 3.27Å; R367-C369 VanDerWaalsContact C-N 3.25Å; R367-C369 PolarHBondContact O-N 2.82Å; R367-L370 PolarHBondContact O-N 2.96Å; R367-I371 HydrophobicContact CG-CD1 4.37Å; R367-I371 HydrophobicContact CG-CG1 4Å; R367-I371 WeakPolarHBondContact O-CG1 3.45Å; R367-I371 PolarHBondContact O-N 3.46Å
368	P	95.5	Very high	94.3	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.032	18%	0.175	C	C	.	.	H	α-helix	trans	-57.8	-38.1	-178.4	-25.8	37.2	0	0	0	113.3	R149 S155 M174 Y365 G366 L370 I371 A372	R149-P368 HydrophobicContact CB-CB 3.87Å; R149-P368 HydrophobicContact CB-CG 3.65Å; R149-P368 HydrophobicContact CG-CB 4.24Å; R149-P368 HydrophobicContact CG-CG 3.69Å; S155-P368 WeakPolarHBondContact CB-O 3.32Å; S155-P368 VanDerWaalsContact OG-CA 3.23Å; S155-P368 WeakPolarHBondContact OG-CA 3.06Å; S155-P368 WeakPolarHBondContact OG-CB 3.18Å; S155-P368 PolarHBondContact OG-O 3.42Å; M174-P368 HydrophobicContact CE-CB 3.98Å; M174-P368 HydrophobicContact CE-CG 4.08Å; M174-P368 HydrophobicContact SD-CB 4.18Å; M174-P368 HydrophobicContact SD-CG 4.41Å; Y365-P368 HydrophobicContact CD1-CG 4.31Å; Y365-P368 VanDerWaalsContact O-CD 3.22Å; Y365-P368 WeakPolarHBondContact O-CD 3.19Å; G366-P368 VanDerWaalsContact C-CD 3.41Å; P368-L370 PolarHBondContact O-N 3.35Å; P368-I371 PolarHBondContact O-N 2.92Å; P368-A372 PolarHBondContact O-N 2.77Å
369	C	96.9	Very high	94.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-43.9	174.8	177.7	0	0	0	0	112	M174 C208 G366 R367 A372 A373	M174-C369 HydrophobicContact CB-CB 4.25Å; M174-C369 HydrophobicContact CG-CB 4.16Å; M174-C369 HydrophobicContact SD-CB 3.86Å; C208-C369 WeakPolarHBondContact CA-SG 3.49Å; C208-C369 HydrophobicContact CB-CB 3.52Å; C208-C369 WeakPolarHBondContact CB-SG 3.4Å; C208-C369 PolarHBondContact N-SG 2.98Å; C208-C369 WeakPolarHBondContact SG-CB 3.31Å; C208-C369 CovalentContact SG-SG 2.04Å; C208-C369 PolarHBondContact SG-SG 3.36Å; G366-C369 WeakPolarHBondContact O-CB 3.12Å; G366-C369 PolarHBondContact O-N 3.27Å; G366-C369 VanDerWaalsContact O-N 3.17Å; R367-C369 VanDerWaalsContact C-N 3.25Å; R367-C369 PolarHBondContact O-N 2.82Å; C369-A372 PolarHBondContact O-N 3.03Å; C369-A373 PolarHBondContact O-N 3.11Å
370	L	97	Very high	94.1	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-75.8	-29.4	-178.8	-63.2	166.1	0	0	0	112.6	I339 E340 P343 G366 R367 P368 A373 S374 T392 L396	I339-L370 HydrophobicContact CD1-CD1 4.06Å; I339-L370 HydrophobicContact CG1-CD1 3.72Å; E340-L370 WeakPolarHBondContact O-CD1 3.39Å; P343-L370 HydrophobicContact CG-CB 3.88Å; P343-L370 VanDerWaalsContact CG-O 3.24Å; P343-L370 WeakPolarHBondContact CG-O 3.38Å; G366-L370 PolarHBondContact O-N 2.93Å; R367-L370 PolarHBondContact O-N 2.96Å; P368-L370 PolarHBondContact O-N 3.35Å; L370-A373 PolarHBondContact O-N 3.01Å; L370-S374 WeakPolarHBondContact O-CB 3.32Å; L370-S374 PolarHBondContact O-N 3.01Å; L370-T392 HydrophobicContact CD2-CG2 4.42Å; L370-L396 HydrophobicContact CD1-CD1 4.09Å; L370-L396 HydrophobicContact CD2-CD1 4.28Å
371	I	96.2	Very high	93.9	Very high	12 Å²	12	33 Å²	33	6%	0.062	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-48.4	167	-66.4	-58.3	0	0	0	110.1	P343 R367 P368 A373 S374 Q375	P343-I371 HydrophobicContact CB-CD1 3.85Å; R367-I371 HydrophobicContact CG-CD1 4.37Å; R367-I371 HydrophobicContact CG-CG1 4Å; R367-I371 WeakPolarHBondContact O-CG1 3.45Å; R367-I371 PolarHBondContact O-N 3.46Å; P368-I371 PolarHBondContact O-N 2.92Å; I371-A373 VanDerWaalsContact C-N 3.31Å; I371-A373 PolarHBondContact O-N 3.23Å; I371-S374 PolarHBondContact O-N 3.27Å; I371-Q375 WeakPolarHBondContact O-CG 3.41Å; I371-Q375 PolarHBondContact O-N 2.84Å
372	A	96.6	Very high	93.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-39.8	178.2	0	0	0	0	0	111.9	I147 Y157 F206 P368 C369 Q375 E376	I147-A372 HydrophobicContact CD1-CB 3.86Å; I147-A372 HydrophobicContact CG1-CB 4.08Å; I147-A372 HydrophobicContact CG2-CB 3.96Å; Y157-A372 HydrophobicContact CE1-CB 4.18Å; Y157-A372 PolarHBondContact OH-O 3.35Å; F206-A372 HydrophobicContact CE1-CB 4.25Å; P368-A372 PolarHBondContact O-N 2.77Å; C369-A372 PolarHBondContact O-N 3.03Å; A372-Q375 WeakPolarHBondContact O-CB 2.98Å; A372-Q375 PolarHBondContact O-N 3.04Å; A372-E376 PolarHBondContact O-N 2.91Å
373	A	96.1	Very high	93.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-48.5	172.1	0	0	0	0	0	112.2	F206 C369 L370 I371 Q375 E376 E377 T387	F206-A373 HydrophobicContact CD1-CB 3.78Å; F206-A373 HydrophobicContact CD2-CB 3.9Å; F206-A373 VanDerWaalsContact CE1-CA 3.46Å; F206-A373 HydrophobicContact CE1-CB 3.78Å; F206-A373 HydrophobicContact CE2-CB 3.9Å; F206-A373 HydrophobicContact CG-CB 3.84Å; F206-A373 HydrophobicContact CZ-CB 3.85Å; C369-A373 PolarHBondContact O-N 3.11Å; L370-A373 PolarHBondContact O-N 3.01Å; I371-A373 VanDerWaalsContact C-N 3.31Å; I371-A373 PolarHBondContact O-N 3.23Å; A373-Q375 VanDerWaalsContact C-N 3.27Å; A373-Q375 PolarHBondContact O-N 3.32Å; A373-E376 PolarHBondContact O-N 3.12Å; A373-E376 VanDerWaalsContact O-N 3.13Å; A373-E377 VanDerWaalsContact O-CG 3.31Å; A373-E377 WeakPolarHBondContact O-CG 3.19Å; A373-E377 PolarHBondContact O-N 2.93Å; A373-T387 HydrophobicContact CB-CG2 3.87Å
374	S	95.2	Very high	93.3	Very high	29 Å²	29	38.3 Å²	38.3	20%	0.203	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-35.6	177.4	177.4	0	0	0	0	112.7	L370 I371 E377 N378	L370-S374 WeakPolarHBondContact O-CB 3.32Å; L370-S374 PolarHBondContact O-N 3.01Å; I371-S374 PolarHBondContact O-N 3.27Å; S374-E377 PolarHBondContact O-N 3.01Å; S374-N378 PolarHBondContact O-N 3.19Å; S374-N378 PolarHBondContact O-ND2 3.49Å; S374-N378 PolarHBondContact O-OD1 2.96Å
375	Q	93.6	Very high	93.2	Very high	59 Å²	59	37.8 Å²	37.8	28%	0.276	19%	0.194	S	C	.	.	H	α-helix	trans	-61.7	-45.6	174.5	-71.3	167.2	-19.7	0	0	111.2	S155 I371 A372 A373 E377 N378 Y379	S155-Q375 PolarHBondContact O-NE2 3.12Å; S155-Q375 VanDerWaalsContact O-NE2 3.16Å; S155-Q375 PolarHBondContact O-OE1 2.82Å; I371-Q375 WeakPolarHBondContact O-CG 3.41Å; I371-Q375 PolarHBondContact O-N 2.84Å; A372-Q375 WeakPolarHBondContact O-CB 2.98Å; A372-Q375 PolarHBondContact O-N 3.04Å; A373-Q375 VanDerWaalsContact C-N 3.27Å; A373-Q375 PolarHBondContact O-N 3.32Å; Q375-E377 VanDerWaalsContact C-N 3.33Å; Q375-E377 PolarHBondContact O-N 2.05Å; Q375-N378 PolarHBondContact O-N 3.34Å; Q375-Y379 WeakPolarHBondContact O-CD2 3.29Å; Q375-Y379 WeakPolarHBondContact O-CE2 3.34Å
376	E	92.1	Very high	93.1	Very high	38 Å²	38	37.5 Å²	37.5	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-32.5	175.3	-66.5	-71.7	135.9	0	0	112.7	Y157 M176 R204 F206 A372 A373 Y379 S380 M388	Y157-E376 HydrophobicContact CE2-CG 4.46Å; Y157-E376 WeakPolarHBondContact CE2-OE1 3.48Å; Y157-E376 VanDerWaalsContact OH-CG 3.26Å; Y157-E376 WeakPolarHBondContact OH-CG 3.44Å; M176-E376 HydrophobicContact SD-CG 4.17Å; R204-E376 IonicContact CZ-OE2 3.89Å; R204-E376 IonicContact NE-OE2 2.81Å; R204-E376 PolarHBondContact NE-OE2 2.98Å; R204-E376 IonicContact NH2-OE2 3.83Å; F206-E376 HydrophobicContact CZ-CB 4.3Å; F206-E376 HydrophobicContact CZ-CG 3.94Å; A372-E376 PolarHBondContact O-N 2.91Å; A373-E376 PolarHBondContact O-N 3.12Å; A373-E376 VanDerWaalsContact O-N 3.13Å; E376-Y379 PolarHBondContact O-N 3.27Å; E376-S380 PolarHBondContact O-N 3.49Å; E376-S380 PolarHBondContact O-OG 2.04Å; E376-M388 HydrophobicContact CB-CE 3.14Å; E376-M388 HydrophobicContact CG-CE 4.24Å
377	E	92.7	Very high	92.9	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-73.1	-25.9	177.4	-70.3	177.5	145.1	0	0	113	A373 S374 Q375 Y379 G381 K382 T387 M388	A373-E377 VanDerWaalsContact O-CG 3.31Å; A373-E377 WeakPolarHBondContact O-CG 3.19Å; A373-E377 PolarHBondContact O-N 2.93Å; S374-E377 PolarHBondContact O-N 3.01Å; Q375-E377 VanDerWaalsContact C-N 3.33Å; Q375-E377 PolarHBondContact O-N 2.05Å; E377-Y379 PolarHBondContact O-N 2.88Å; E377-G381 CarbonylContact O-C 3.46Å; E377-G381 WeakPolarHBondContact O-CA 3.39Å; E377-G381 PolarHBondContact O-N 3.48Å; E377-K382 HydrophobicContact CB-CB 4.32Å; E377-K382 HydrophobicContact CB-CD 4.27Å; E377-K382 VanDerWaalsContact CD-CD 3.43Å; E377-K382 HydrophobicContact CG-CD 4.33Å; E377-K382 PolarHBondContact O-N 3.49Å; E377-K382 IonicContact OE1-NZ 3.85Å; E377-K382 PolarHBondContact OE1-NZ 2.66Å; E377-K382 WeakPolarHBondContact OE2-CD 3.46Å; E377-K382 IonicContact OE2-NZ 2.83Å; E377-K382 PolarHBondContact OE2-NZ 3.16Å; E377-T387 VanDerWaalsContact OE1-CA 3.25Å; E377-T387 WeakPolarHBondContact OE1-CA 3.47Å; E377-M388 HydrophobicContact CG-CE 3.75Å; E377-M388 HydrophobicContact CG-SD 4.33Å; E377-M388 PolarHBondContact OE1-N 2.89Å
378	N	90.6	Very high	92.7	Very high	126 Å²	126	37.8 Å²	37.8	67%	0.674	19%	0.194	S	C	*	.	H	α-helix	trans	-62.7	-31.5	171.5	-70.1	-22	0	0	0	111.8	S374 Q375	S374-N378 PolarHBondContact O-N 3.19Å; S374-N378 PolarHBondContact O-ND2 3.49Å; S374-N378 PolarHBondContact O-OD1 2.96Å; Q375-N378 PolarHBondContact O-N 3.34Å
379	Y	86.4	Confident	92.3	Very high	203 Å²	203	38.6 Å²	38.6	80%	0.796	20%	0.2	S	C	*	.	H	α-helix	trans	-85.8	-43.3	176.4	-62.8	-74.6	0	0	0	112.8	Q375 E376 E377	Q375-Y379 WeakPolarHBondContact O-CD2 3.29Å; Q375-Y379 WeakPolarHBondContact O-CE2 3.34Å; E376-Y379 PolarHBondContact O-N 3.27Å; E377-Y379 PolarHBondContact O-N 2.88Å
380	S	84.8	Confident	91.9	Very high	49 Å²	49	39.3 Å²	39.3	34%	0.343	20%	0.203	S	C	.	.	H	α-helix	trans	-89	-13.9	-173.3	60.4	0	0	0	0	114.1	K93 E376	K93-S380 PolarHBondContact NZ-O 3.01Å; E376-S380 PolarHBondContact O-N 3.49Å; E376-S380 PolarHBondContact O-OG 2.04Å
381	G	87.7	Confident	91.8	Very high	36 Å²	36	41.6 Å²	41.6	37%	0.371	21%	0.212	S	C	.	.			trans	89.9	121.4	-173.9	0	0	0	0	0	112.6	K93 E377	K93-G381 PolarHBondContact NZ-O 2.78Å; E377-G381 CarbonylContact O-C 3.46Å; E377-G381 WeakPolarHBondContact O-CA 3.39Å; E377-G381 PolarHBondContact O-N 3.48Å
382	K	91.4	Very high	91.8	Very high	87 Å²	87	41.1 Å²	41.1	38%	0.378	21%	0.209	S	C	.	.			trans	-72.7	136.1	174.2	-179.6	66.9	179.5	-177.4	0	111.5	E377 C386 E420	E377-K382 HydrophobicContact CB-CB 4.32Å; E377-K382 HydrophobicContact CB-CD 4.27Å; E377-K382 VanDerWaalsContact CD-CD 3.43Å; E377-K382 HydrophobicContact CG-CD 4.33Å; E377-K382 PolarHBondContact O-N 3.49Å; E377-K382 IonicContact OE1-NZ 3.85Å; E377-K382 PolarHBondContact OE1-NZ 2.66Å; E377-K382 WeakPolarHBondContact OE2-CD 3.46Å; E377-K382 IonicContact OE2-NZ 2.83Å; E377-K382 PolarHBondContact OE2-NZ 3.16Å; K382-C386 WeakPolarHBondContact CE-O 3.22Å; K382-C386 PolarHBondContact NZ-O 2.84Å; K382-E420 VanDerWaalsContact CE-CD 3.44Å; K382-E420 WeakPolarHBondContact CE-OE1 3.21Å; K382-E420 WeakPolarHBondContact CE-OE2 3.45Å; K382-E420 IonicContact NZ-OE1 2.79Å; K382-E420 PolarHBondContact NZ-OE1 3.38Å; K382-E420 IonicContact NZ-OE2 3.38Å; K382-E420 PolarHBondContact NZ-OE2 3.11Å
383	I	92	Very high	91.7	Very high	51 Å²	51	41.1 Å²	41.1	26%	0.262	21%	0.209	S	C	.	.			trans	-110.5	135.7	164.4	-62.4	-173.4	0	0	0	108	K93 G385 C386	K93-I383 HydrophobicContact CD-CD1 4.33Å; K93-I383 HydrophobicContact CG-CD1 3.55Å; I383-G385 PolarHBondContact O-N 2.91Å; I383-C386 HydrophobicContact CB-CB 4.05Å; I383-C386 HydrophobicContact CG2-CB 4.25Å; I383-C386 PolarHBondContact O-N 2.88Å; I383-C386 VanDerWaalsContact O-N 3.1Å
384	L	91.8	Very high	91.6	Very high	65 Å²	65	44.9 Å²	44.9	34%	0.34	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	126.5	178.4	178.2	65.2	0	0	0	111.7	P90 C386 E420 Y428	P90-L384 WeakPolarHBondContact CB-O 3.24Å; P90-L384 HydrophobicContact CG-CD2 4.18Å; P90-L384 HydrophobicContact CG-CG 4.46Å; L384-C386 PolarHBondContact O-N 2.77Å; L384-E420 HydrophobicContact CD1-CG 4.44Å; L384-Y428 HydrophobicContact CD2-CD2 4.25Å; L384-Y428 HydrophobicContact CD2-CE2 3.82Å
385	G	93.1	Very high	91.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	14.9	177.3	0	0	0	0	0	114.3	I383 Y391 T392 E420	I383-G385 PolarHBondContact O-N 2.91Å; G385-Y391 CarbonylContact O-C 3.55Å; G385-Y391 WeakPolarHBondContact O-CA 3.42Å; G385-T392 PolarHBondContact O-N 2.99Å; G385-T392 PolarHBondContact O-OG1 3.25Å; G385-E420 PolarHBondContact N-OE1 3.08Å
386	C	93.9	Very high	91.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.5	-179.1	-61.2	0	0	0	0	111.4	C92 K382 I383 L384 R390 T392	C92-C386 WeakPolarHBondContact CA-SG 3.35Å; C92-C386 HydrophobicContact CB-CB 3.73Å; C92-C386 WeakPolarHBondContact CB-SG 3.26Å; C92-C386 PolarHBondContact N-SG 2.86Å; C92-C386 VanDerWaalsContact N-SG 3.43Å; C92-C386 WeakPolarHBondContact SG-CB 3.48Å; C92-C386 CovalentContact SG-SG 2.03Å; C92-C386 PolarHBondContact SG-SG 2.94Å; K382-C386 WeakPolarHBondContact CE-O 3.22Å; K382-C386 PolarHBondContact NZ-O 2.84Å; I383-C386 HydrophobicContact CB-CB 4.05Å; I383-C386 HydrophobicContact CG2-CB 4.25Å; I383-C386 PolarHBondContact O-N 2.88Å; I383-C386 VanDerWaalsContact O-N 3.1Å; L384-C386 PolarHBondContact O-N 2.77Å; C386-R390 CarbonylContact C-O 3.54Å; C386-R390 WeakPolarHBondContact CA-O 3.46Å; C386-T392 WeakPolarHBondContact CA-OG1 3.21Å; C386-T392 PolarHBondContact N-OG1 3.39Å
387	T	92.7	Very high	92	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	101.9	162.2	-62.4	0	0	0	0	107.2	F206 A373 E377 S389 R390 T392	F206-T387 HydrophobicContact CB-CG2 4.17Å; F206-T387 HydrophobicContact CD2-CG2 3.71Å; F206-T387 HydrophobicContact CG-CG2 4.17Å; A373-T387 HydrophobicContact CB-CG2 3.87Å; E377-T387 VanDerWaalsContact OE1-CA 3.25Å; E377-T387 WeakPolarHBondContact OE1-CA 3.47Å; T387-S389 PolarHBondContact O-N 3Å; T387-S389 VanDerWaalsContact O-N 3.13Å; T387-R390 PolarHBondContact N-O 2.95Å; T387-R390 PolarHBondContact O-N 2.84Å; T387-T392 PolarHBondContact N-OG1 3.03Å; T387-T392 VanDerWaalsContact N-OG1 3.1Å; T387-T392 VanDerWaalsContact OG1-CG2 3.23Å; T387-T392 WeakPolarHBondContact OG1-CG2 3.41Å; T387-T392 PolarHBondContact OG1-OG1 2.86Å; T387-T392 VanDerWaalsContact OG1-OG1 3.08Å
388	M	89.9	Confident	92	Very high	17 Å²	17	41.1 Å²	41.1	8%	0.084	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-112.3	-170.8	-59.5	-67.4	168.4	0	0	112.4	R204 F206 E376 E377	R204-M388 HydrophobicContact CB-CB 4.46Å; R204-M388 HydrophobicContact CB-CG 3.84Å; R204-M388 HydrophobicContact CB-SD 4.28Å; F206-M388 HydrophobicContact CD2-CG 4.24Å; F206-M388 HydrophobicContact CE2-CE 3.94Å; F206-M388 HydrophobicContact CE2-CG 3.84Å; F206-M388 HydrophobicContact CZ-CE 4.45Å; E376-M388 HydrophobicContact CB-CE 3.14Å; E376-M388 HydrophobicContact CG-CE 4.24Å; E377-M388 HydrophobicContact CG-CE 3.75Å; E377-M388 HydrophobicContact CG-SD 4.33Å; E377-M388 PolarHBondContact OE1-N 2.89Å
389	S	87.5	Confident	92.3	Very high	23 Å²	23	35.2 Å²	35.2	16%	0.161	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.7	179.7	63.3	0	0	0	0	113.9	C92 K93 E203 T387	C92-S389 VanDerWaalsContact CB-O 3.26Å; C92-S389 WeakPolarHBondContact CB-O 3.43Å; K93-S389 VanDerWaalsContact O-CA 3.27Å; K93-S389 WeakPolarHBondContact O-CA 3.49Å; K93-S389 WeakPolarHBondContact O-CB 3.25Å; E203-S389 WeakPolarHBondContact OE1-CB 3.34Å; E203-S389 PolarHBondContact OE1-OG 3.45Å; E203-S389 WeakPolarHBondContact OE2-CB 3.5Å; E203-S389 PolarHBondContact OE2-OG 3.2Å; E203-S389 VanDerWaalsContact OE2-OG 3.11Å; T387-S389 PolarHBondContact O-N 3Å; T387-S389 VanDerWaalsContact O-N 3.13Å
390	R	89.5	Confident	92.8	Very high	15 Å²	15	25.5 Å²	25.5	6%	0.057	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.6	-177	-52	-174.7	61.2	176.3	7	110.6	C92 H111 L205 C386 T387 T392 V395 E398	C92-R390 PolarHBondContact SG-O 3.43Å; H111-R390 WeakPolarHBondContact CE1-CD 3.44Å; H111-R390 PolarHBondContact CE1-NE 3.19Å; H111-R390 PolarHBondContact CE1-NH2 3.32Å; H111-R390 WeakPolarHBondContact NE2-CD 3.42Å; H111-R390 WeakPolarHBondContact NE2-CG 3.1Å; H111-R390 PolarHBondContact NE2-NE 3.32Å; L205-R390 HydrophobicContact CD2-CG 4.24Å; C386-R390 CarbonylContact C-O 3.54Å; C386-R390 WeakPolarHBondContact CA-O 3.46Å; T387-R390 PolarHBondContact N-O 2.95Å; T387-R390 PolarHBondContact O-N 2.84Å; R390-T392 PolarHBondContact O-N 2.91Å; R390-V395 HydrophobicContact CB-CG2 4.29Å; R390-E398 IonicContact CZ-OE2 2.65Å; R390-E398 VanDerWaalsContact CZ-OE2 3.29Å; R390-E398 IonicContact NH1-OE1 3.37Å; R390-E398 IonicContact NH1-OE2 2.7Å; R390-E398 PolarHBondContact NH1-OE2 2.95Å; R390-E398 IonicContact NH2-OE2 2.81Å; R390-E398 PolarHBondContact NH2-OE2 2.99Å
391	Y	94	Very high	93.3	Very high	52 Å²	52	24.5 Å²	24.5	20%	0.204	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.7	163	-68.1	-73.3	0	0	0	109.9	P90 C92 G385 H393 K394 L431	P90-Y391 PolarHBondContact O-OH 2.93Å; P90-Y391 VanDerWaalsContact O-OH 3.12Å; C92-Y391 WeakPolarHBondContact SG-CD1 3.47Å; C92-Y391 VanDerWaalsContact SG-CE1 3.59Å; C92-Y391 PolarHBondContact SG-N 3.31Å; C92-Y391 VanDerWaalsContact SG-N 3.45Å; G385-Y391 CarbonylContact O-C 3.55Å; G385-Y391 WeakPolarHBondContact O-CA 3.42Å; Y391-H393 VanDerWaalsContact C-N 3.27Å; Y391-H393 WeakPolarHBondContact CB-CE1 2.91Å; Y391-H393 WeakPolarHBondContact CB-ND1 3.49Å; Y391-H393 AromaticContact CG-CE1 3.89Å; Y391-H393 PolarHBondContact O-N 2.71Å; Y391-K394 WeakPolarHBondContact O-CB 3.41Å; Y391-K394 PolarHBondContact O-N 2.85Å; Y391-K394 VanDerWaalsContact O-N 3.1Å; Y391-L431 HydrophobicContact CE1-CD1 3.84Å; Y391-L431 HydrophobicContact CE1-CD2 4.41Å
392	T	95.6	Very high	93.5	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-61.8	-35.6	-173.5	-50.6	0	0	0	0	111.8	D341 L370 G385 C386 T387 R390 K394 V395 L396 E420	D341-T392 HydrophobicContact CB-CG2 3.36Å; L370-T392 HydrophobicContact CD2-CG2 4.42Å; G385-T392 PolarHBondContact O-N 2.99Å; G385-T392 PolarHBondContact O-OG1 3.25Å; C386-T392 WeakPolarHBondContact CA-OG1 3.21Å; C386-T392 PolarHBondContact N-OG1 3.39Å; T387-T392 PolarHBondContact N-OG1 3.03Å; T387-T392 VanDerWaalsContact N-OG1 3.1Å; T387-T392 VanDerWaalsContact OG1-CG2 3.23Å; T387-T392 WeakPolarHBondContact OG1-CG2 3.41Å; T387-T392 PolarHBondContact OG1-OG1 2.86Å; T387-T392 VanDerWaalsContact OG1-OG1 3.08Å; R390-T392 PolarHBondContact O-N 2.91Å; T392-K394 PolarHBondContact O-N 3.31Å; T392-K394 VanDerWaalsContact O-N 3.16Å; T392-V395 WeakPolarHBondContact O-CB 3.3Å; T392-V395 PolarHBondContact O-N 3.08Å; T392-L396 HydrophobicContact CG2-CD1 3.92Å; T392-L396 WeakPolarHBondContact O-CD1 3.26Å; T392-L396 PolarHBondContact O-N 2.6Å; T392-E420 PolarHBondContact OG1-OE2 3.3Å
393	H	96.1	Very high	93.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58	-34.4	177.8	71.2	-86.3	0	0	0	112.4	Y391 V395 L396 L397 L418 I432 D435	Y391-H393 VanDerWaalsContact C-N 3.27Å; Y391-H393 WeakPolarHBondContact CB-CE1 2.91Å; Y391-H393 WeakPolarHBondContact CB-ND1 3.49Å; Y391-H393 AromaticContact CG-CE1 3.89Å; Y391-H393 PolarHBondContact O-N 2.71Å; H393-V395 VanDerWaalsContact C-N 3.34Å; H393-V395 PolarHBondContact O-N 3.2Å; H393-L396 PolarHBondContact O-N 3.38Å; H393-L397 VanDerWaalsContact O-CG 3.3Å; H393-L397 WeakPolarHBondContact O-CG 3.49Å; H393-L397 PolarHBondContact O-N 3.49Å; H393-L418 HydrophobicContact CB-CD1 4.35Å; H393-L418 HydrophobicContact CB-CD2 4.08Å; H393-I432 HydrophobicContact CB-CG1 4.44Å; H393-D435 IonicContact CD2-OD2 3.6Å; H393-D435 IonicContact CE1-OD2 3.8Å; H393-D435 IonicContact NE2-OD2 3.15Å; H393-D435 PolarHBondContact NE2-OD2 3.29Å
394	K	94.3	Very high	93.9	Very high	81 Å²	81	16.4 Å²	16.4	35%	0.352	8%	0.08	S	C	.	.	H	α-helix	trans	-65.9	-36.9	176.1	-67.5	-171.1	169.8	-172.9	0	112.3	Y391 T392 L396 L397 E398 D435	Y391-K394 WeakPolarHBondContact O-CB 3.41Å; Y391-K394 PolarHBondContact O-N 2.85Å; Y391-K394 VanDerWaalsContact O-N 3.1Å; T392-K394 PolarHBondContact O-N 3.31Å; T392-K394 VanDerWaalsContact O-N 3.16Å; K394-L396 VanDerWaalsContact C-N 3.3Å; K394-L396 PolarHBondContact O-N 3.41Å; K394-L397 PolarHBondContact O-N 3.4Å; K394-E398 VanDerWaalsContact O-CB 3.26Å; K394-E398 WeakPolarHBondContact O-CB 3.48Å; K394-E398 PolarHBondContact O-N 3.49Å; K394-D435 VanDerWaalsContact CE-CG 3.47Å; K394-D435 WeakPolarHBondContact CE-OD1 3.27Å; K394-D435 WeakPolarHBondContact CE-OD2 3.48Å; K394-D435 IonicContact NZ-OD1 3.78Å; K394-D435 IonicContact NZ-OD2 2.86Å
395	V	94.7	Very high	93.9	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-62.7	-41.3	175.5	-177.9	0	0	0	0	110.2	C208 R390 T392 H393 S399	C208-V395 HydrophobicContact CB-CG1 4.36Å; R390-V395 HydrophobicContact CB-CG2 4.29Å; T392-V395 WeakPolarHBondContact O-CB 3.3Å; T392-V395 PolarHBondContact O-N 3.08Å; H393-V395 VanDerWaalsContact C-N 3.34Å; H393-V395 PolarHBondContact O-N 3.2Å; V395-S399 WeakPolarHBondContact O-CB 3.27Å; V395-S399 PolarHBondContact O-N 3.45Å
396	L	97	Very high	93.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-69	-43.4	178	-87.3	64.2	0	0	0	112.5	I339 D341 L370 T392 H393 K394 E398 S399 L400 T416 F417 L418	I339-L396 HydrophobicContact CD1-CD1 4.14Å; I339-L396 HydrophobicContact CD1-CG 3.95Å; I339-L396 HydrophobicContact CG1-CD1 4.33Å; I339-L396 HydrophobicContact CG1-CG 3.94Å; I339-L396 HydrophobicContact CG2-CB 4.45Å; I339-L396 HydrophobicContact CG2-CD2 4.45Å; I339-L396 HydrophobicContact CG2-CG 4.04Å; D341-L396 HydrophobicContact CB-CD1 3.83Å; D341-L396 HydrophobicContact CB-CD2 3.78Å; D341-L396 HydrophobicContact CB-CG 4.48Å; L370-L396 HydrophobicContact CD1-CD1 4.09Å; L370-L396 HydrophobicContact CD2-CD1 4.28Å; T392-L396 HydrophobicContact CG2-CD1 3.92Å; T392-L396 WeakPolarHBondContact O-CD1 3.26Å; T392-L396 PolarHBondContact O-N 2.6Å; H393-L396 PolarHBondContact O-N 3.38Å; K394-L396 VanDerWaalsContact C-N 3.3Å; K394-L396 PolarHBondContact O-N 3.41Å; L396-E398 VanDerWaalsContact C-N 3.32Å; L396-E398 PolarHBondContact O-N 3.05Å; L396-S399 WeakPolarHBondContact O-CB 3.35Å; L396-S399 PolarHBondContact O-N 3.21Å; L396-L400 WeakPolarHBondContact O-CB 3.29Å; L396-L400 PolarHBondContact O-N 2.95Å; L396-T416 HydrophobicContact CB-CG2 4.18Å; L396-F417 VanDerWaalsContact CD2-O 3.26Å; L396-F417 WeakPolarHBondContact CD2-O 3.43Å; L396-L418 HydrophobicContact CB-CD2 3.84Å; L396-L418 HydrophobicContact CD2-CD2 3.65Å; L396-L418 HydrophobicContact CG-CD2 4.39Å
397	L	96.1	Very high	93.7	Very high	16 Å²	16	16.5 Å²	16.5	8%	0.084	8%	0.08	C	C	.	.	H	α-helix	trans	-68	-32	177.6	-64.8	-171	0	0	0	112.6	L239 H393 K394 L400 T401 D435 L439	L239-L397 HydrophobicContact CD1-CD2 4.3Å; H393-L397 VanDerWaalsContact O-CG 3.3Å; H393-L397 WeakPolarHBondContact O-CG 3.49Å; H393-L397 PolarHBondContact O-N 3.49Å; K394-L397 PolarHBondContact O-N 3.4Å; L397-L400 HydrophobicContact CD2-CD2 4.39Å; L397-T401 WeakPolarHBondContact O-CB 3.33Å; L397-T401 PolarHBondContact O-N 3.4Å; L397-T401 PolarHBondContact O-OG1 2.8Å; L397-D435 HydrophobicContact CD1-CB 4.11Å; L397-L439 HydrophobicContact CD2-CD2 3.82Å
398	E	93.6	Very high	93.5	Very high	38 Å²	38	17.4 Å²	17.4	18%	0.178	9%	0.086	C	C	.	.	H	α-helix	trans	-66.2	-48.6	171.3	-175.3	-177.4	121.1	0	0	111	I207 R390 K394 L396 L400 T401 E402	I207-E398 VanDerWaalsContact CD1-OE1 3.28Å; I207-E398 WeakPolarHBondContact CD1-OE1 3.38Å; R390-E398 IonicContact CZ-OE2 2.65Å; R390-E398 VanDerWaalsContact CZ-OE2 3.29Å; R390-E398 IonicContact NH1-OE1 3.37Å; R390-E398 IonicContact NH1-OE2 2.7Å; R390-E398 PolarHBondContact NH1-OE2 2.95Å; R390-E398 IonicContact NH2-OE2 2.81Å; R390-E398 PolarHBondContact NH2-OE2 2.99Å; K394-E398 VanDerWaalsContact O-CB 3.26Å; K394-E398 WeakPolarHBondContact O-CB 3.48Å; K394-E398 PolarHBondContact O-N 3.49Å; L396-E398 VanDerWaalsContact C-N 3.32Å; L396-E398 PolarHBondContact O-N 3.05Å; E398-L400 VanDerWaalsContact C-N 3.31Å; E398-L400 PolarHBondContact O-N 3.44Å; E398-T401 WeakPolarHBondContact O-CA 3.18Å; E398-T401 WeakPolarHBondContact O-CB 3.36Å; E398-T401 PolarHBondContact O-N 2.83Å; E398-E402 PolarHBondContact O-N 3.26Å
399	S	95.7	Very high	93.4	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.014	11%	0.109	C	C	.	.	H	α-helix	trans	-55.4	-45.3	175.1	178.7	0	0	0	0	112.4	C208 H337 V395 L396 T401 E402 F403	C208-S399 VanDerWaalsContact O-CB 3.22Å; C208-S399 WeakPolarHBondContact O-CB 3.44Å; C208-S399 PolarHBondContact O-OG 3.12Å; H337-S399 PolarHBondContact NE2-OG 2.94Å; V395-S399 WeakPolarHBondContact O-CB 3.27Å; V395-S399 PolarHBondContact O-N 3.45Å; L396-S399 WeakPolarHBondContact O-CB 3.35Å; L396-S399 PolarHBondContact O-N 3.21Å; S399-T401 PolarHBondContact O-N 3.46Å; S399-E402 PolarHBondContact O-N 2.6Å; S399-F403 WeakPolarHBondContact O-CB 3.38Å; S399-F403 PolarHBondContact O-N 3.46Å
400	L	97.1	Very high	93.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57.8	-46.8	172.7	169.9	65.7	0	0	0	111.9	L237 L396 L397 E398 F403 F404 S414 L439	L237-L400 HydrophobicContact CD1-CD1 3.61Å; L237-L400 HydrophobicContact CD1-CD2 3.97Å; L237-L400 HydrophobicContact CD1-CG 4.47Å; L237-L400 HydrophobicContact CD2-CD2 4.14Å; L396-L400 WeakPolarHBondContact O-CB 3.29Å; L396-L400 PolarHBondContact O-N 2.95Å; L397-L400 HydrophobicContact CD2-CD2 4.39Å; E398-L400 VanDerWaalsContact C-N 3.31Å; E398-L400 PolarHBondContact O-N 3.44Å; L400-F403 WeakPolarHBondContact O-CB 3.36Å; L400-F403 PolarHBondContact O-N 3.04Å; L400-F404 HydrophobicContact CD1-CD2 3.56Å; L400-F404 HydrophobicContact CD1-CE2 3.39Å; L400-F404 HydrophobicContact CD1-CZ 4.5Å; L400-F404 HydrophobicContact CG-CD2 4.35Å; L400-F404 WeakPolarHBondContact O-CD2 3.48Å; L400-F404 PolarHBondContact O-N 3.36Å; L400-S414 WeakPolarHBondContact CD1-OG 3.24Å; L400-L439 HydrophobicContact CD2-CD2 3.8Å
401	T	95.2	Very high	93.8	Very high	27 Å²	27	24 Å²	24	17%	0.166	12%	0.117	C	C	.	.	H	α-helix	trans	-62.5	-48.5	-179.5	-63.4	0	0	0	0	111.5	L397 E398 S399 F403 F404 E405 F465	L397-T401 WeakPolarHBondContact O-CB 3.33Å; L397-T401 PolarHBondContact O-N 3.4Å; L397-T401 PolarHBondContact O-OG1 2.8Å; E398-T401 WeakPolarHBondContact O-CA 3.18Å; E398-T401 WeakPolarHBondContact O-CB 3.36Å; E398-T401 PolarHBondContact O-N 2.83Å; S399-T401 PolarHBondContact O-N 3.46Å; T401-F403 VanDerWaalsContact C-N 3.27Å; T401-F403 PolarHBondContact O-N 3.24Å; T401-F404 PolarHBondContact O-N 2.82Å; T401-F404 VanDerWaalsContact O-N 3.17Å; T401-E405 WeakPolarHBondContact CG2-OE1 3.41Å; T401-E405 WeakPolarHBondContact O-CG 3.37Å; T401-E405 PolarHBondContact O-N 3.37Å; T401-F465 HydrophobicContact CG2-CE2 4.49Å
402	E	93.3	Very high	93.9	Very high	4 Å²	4	22 Å²	22	2%	0.019	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-36.2	177.8	-69.1	-162.8	145.7	0	0	112.2	L118 G119 G209 E398 S399 T406	L118-E402 PolarHBondContact N-OE1 3.23Å; G119-E402 PolarHBondContact N-OE1 3.47Å; G209-E402 WeakPolarHBondContact CA-OE2 3.24Å; E398-E402 PolarHBondContact O-N 3.26Å; S399-E402 PolarHBondContact O-N 2.6Å; E402-T406 VanDerWaalsContact O-CB 3.22Å; E402-T406 WeakPolarHBondContact O-CB 3.3Å; E402-T406 PolarHBondContact O-N 3.22Å; E402-T406 PolarHBondContact O-OG1 2.73Å
403	F	95.5	Very high	94.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-47.9	173.6	172.2	-110.5	0	0	0	111.8	V335 H337 S399 L400 T401 E405 Y407 R412	V335-F403 HydrophobicContact CB-CE2 3.91Å; V335-F403 HydrophobicContact CB-CZ 4Å; V335-F403 HydrophobicContact CG2-CE2 3.71Å; V335-F403 HydrophobicContact CG2-CZ 3.53Å; H337-F403 HydrophobicContact CB-CD1 3.51Å; H337-F403 HydrophobicContact CB-CD2 3.75Å; H337-F403 HydrophobicContact CB-CE1 3.42Å; H337-F403 VanDerWaalsContact CB-CE1 3.42Å; H337-F403 HydrophobicContact CB-CE2 3.68Å; H337-F403 HydrophobicContact CB-CG 3.67Å; H337-F403 HydrophobicContact CB-CZ 3.51Å; H337-F403 AromaticContact CG-CD1 3.92Å; H337-F403 AromaticContact CG-CG 3.89Å; S399-F403 WeakPolarHBondContact O-CB 3.38Å; S399-F403 PolarHBondContact O-N 3.46Å; L400-F403 WeakPolarHBondContact O-CB 3.36Å; L400-F403 PolarHBondContact O-N 3.04Å; T401-F403 VanDerWaalsContact C-N 3.27Å; T401-F403 PolarHBondContact O-N 3.24Å; F403-E405 VanDerWaalsContact C-N 3.32Å; F403-E405 PolarHBondContact O-N 3.39Å; F403-Y407 AromaticContact CD2-CD2 3.41Å; F403-Y407 HydrophobicContact CD2-CD2 3.41Å; F403-Y407 VanDerWaalsContact CD2-CD2 3.41Å; F403-Y407 AromaticContact CD2-CE2 3.73Å; F403-Y407 HydrophobicContact CD2-CE2 3.73Å; F403-Y407 AromaticContact CE2-CD2 3.57Å; F403-Y407 HydrophobicContact CE2-CD2 3.57Å; F403-Y407 AromaticContact CE2-CE2 3.97Å; F403-Y407 HydrophobicContact CE2-CE2 3.97Å; F403-Y407 HydrophobicContact CE2-CG 4.37Å; F403-Y407 HydrophobicContact CG-CD2 4.39Å; F403-Y407 WeakPolarHBondContact O-CD2 3.47Å; F403-Y407 PolarHBondContact O-N 3.11Å; F403-R412 HydrophobicContact CE1-CB 3.77Å; F403-R412 HydrophobicContact CE1-CG 4.08Å; F403-R412 HydrophobicContact CZ-CB 4.1Å; F403-R412 HydrophobicContact CZ-CG 4.18Å
404	F	95	Very high	94.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.9	-36.2	-179.3	-92.1	-108.1	0	0	0	113.1	N235 L237 L400 T401 S408 R412 P464 F465 T468	N235-F404 HydrophobicContact CB-CE1 3.9Å; N235-F404 HydrophobicContact CB-CZ 4.36Å; L237-F404 HydrophobicContact CB-CZ 4.27Å; L400-F404 HydrophobicContact CD1-CD2 3.56Å; L400-F404 HydrophobicContact CD1-CE2 3.39Å; L400-F404 HydrophobicContact CD1-CZ 4.5Å; L400-F404 HydrophobicContact CG-CD2 4.35Å; L400-F404 WeakPolarHBondContact O-CD2 3.48Å; L400-F404 PolarHBondContact O-N 3.36Å; T401-F404 PolarHBondContact O-N 2.82Å; T401-F404 VanDerWaalsContact O-N 3.17Å; F404-S408 PolarHBondContact O-N 3.29Å; F404-R412 HydrophobicContact CE1-CB 4.41Å; F404-R412 HydrophobicContact CZ-CB 4.31Å; F404-P464 HydrophobicContact CB-CB 4.31Å; F404-F465 HydrophobicContact CB-CD1 4.26Å; F404-F465 HydrophobicContact CB-CE1 3.85Å; F404-F465 HydrophobicContact CB-CE2 4.38Å; F404-F465 HydrophobicContact CB-CZ 3.92Å; F404-F465 AromaticContact CD1-CD1 3.43Å; F404-F465 HydrophobicContact CD1-CD1 3.43Å; F404-F465 VanDerWaalsContact CD1-CD1 3.43Å; F404-F465 AromaticContact CD1-CE1 3.65Å; F404-F465 HydrophobicContact CD1-CE1 3.65Å; F404-F465 HydrophobicContact CD1-CG 4.18Å; F404-F465 HydrophobicContact CD2-CD1 4.48Å; F404-F465 AromaticContact CD2-CE1 3.88Å; F404-F465 HydrophobicContact CD2-CE1 3.88Å; F404-F465 AromaticContact CE1-CD1 3.82Å; F404-F465 HydrophobicContact CE1-CD1 3.82Å; F404-F465 HydrophobicContact CE1-CE1 4.15Å; F404-F465 HydrophobicContact CE2-CE1 4.38Å; F404-F465 AromaticContact CG-CD1 3.81Å; F404-F465 HydrophobicContact CG-CD1 3.81Å; F404-F465 AromaticContact CG-CE1 3.5Å; F404-F465 HydrophobicContact CG-CE1 3.5Å; F404-F465 HydrophobicContact CG-CZ 4.1Å; F404-F465 HydrophobicContact CZ-CE1 4.49Å; F404-T468 HydrophobicContact CE1-CG2 4.02Å; F404-T468 HydrophobicContact CZ-CG2 4.23Å
405	E	92.4	Very high	94.4	Very high	28 Å²	28	18.1 Å²	18.1	13%	0.131	9%	0.093	C	C	.	.	H	α-helix	trans	-75.7	-46.7	178.9	-71.6	172.4	177.4	0	0	112.4	H117 L118 T401 F403 Y407 S408 R442 P464	H117-E405 IonicContact CD2-OE2 3.35Å; H117-E405 PolarHBondContact CD2-OE2 3.05Å; H117-E405 IonicContact CE1-OE2 3.73Å; H117-E405 IonicContact NE2-OE1 2.99Å; H117-E405 IonicContact NE2-OE2 2.93Å; H117-E405 PolarHBondContact NE2-OE2 3.11Å; L118-E405 HydrophobicContact CD2-CB 3.75Å; T401-E405 WeakPolarHBondContact CG2-OE1 3.41Å; T401-E405 WeakPolarHBondContact O-CG 3.37Å; T401-E405 PolarHBondContact O-N 3.37Å; F403-E405 VanDerWaalsContact C-N 3.32Å; F403-E405 PolarHBondContact O-N 3.39Å; E405-Y407 VanDerWaalsContact C-N 3.35Å; E405-Y407 PolarHBondContact O-N 3.35Å; E405-S408 WeakPolarHBondContact O-CB 3.48Å; E405-S408 PolarHBondContact O-N 3.08Å; E405-S408 PolarHBondContact O-OG 3.45Å; E405-R442 IonicContact OE1-CZ 3.47Å; E405-R442 IonicContact OE1-NH1 3.72Å; E405-R442 IonicContact OE1-NH2 3.67Å; E405-R442 PolarHBondContact OE1-NH2 3.47Å; E405-P464 HydrophobicContact CG-CB 3.83Å; E405-P464 HydrophobicContact CG-CG 3.67Å
406	T	90.7	Very high	94.6	Very high	21 Å²	21	18.1 Å²	18.1	13%	0.129	9%	0.092	C	C	.	.	H	α-helix	trans	-58.3	-47.8	-179.5	-61.9	0	0	0	0	111.3	L118 S210 Y211 Y212 E402 S408	L118-T406 WeakPolarHBondContact CD2-OG1 3.08Å; S210-T406 WeakPolarHBondContact O-CG2 3.35Å; Y211-T406 WeakPolarHBondContact CA-OG1 3.43Å; Y211-T406 WeakPolarHBondContact CB-OG1 3.47Å; Y212-T406 HydrophobicContact CD2-CG2 3.62Å; Y212-T406 HydrophobicContact CE2-CG2 4.02Å; Y212-T406 HydrophobicContact CG-CG2 4.37Å; E402-T406 VanDerWaalsContact O-CB 3.22Å; E402-T406 WeakPolarHBondContact O-CB 3.3Å; E402-T406 PolarHBondContact O-N 3.22Å; E402-T406 PolarHBondContact O-OG1 2.73Å; T406-S408 VanDerWaalsContact C-N 3.32Å; T406-S408 PolarHBondContact O-N 3.43Å
407	Y	91.4	Very high	94.6	Very high	18 Å²	18	18.1 Å²	18.1	7%	0.071	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	33.4	-173.8	-60.2	-77.4	0	0	0	112.1	S210 Y212 V335 F403 E405 D409 R410 R412	S210-Y407 WeakPolarHBondContact O-CE2 3.26Å; S210-Y407 PolarHBondContact O-OH 3.48Å; Y212-Y407 HydrophobicContact CD1-CE1 4.42Å; Y212-Y407 HydrophobicContact CD2-CE1 4.37Å; Y212-Y407 HydrophobicContact CE1-CD1 4.46Å; Y212-Y407 AromaticContact CE1-CE1 3.68Å; Y212-Y407 HydrophobicContact CE1-CE1 3.68Å; Y212-Y407 AromaticContact CE2-CD1 3.7Å; Y212-Y407 HydrophobicContact CE2-CD1 3.7Å; Y212-Y407 AromaticContact CE2-CE1 3.62Å; Y212-Y407 HydrophobicContact CE2-CE1 3.62Å; Y212-Y407 AromaticContact CZ-CD1 3.58Å; Y212-Y407 AromaticContact CZ-CE1 3.23Å; Y212-Y407 VanDerWaalsContact OH-CD1 3.29Å; Y212-Y407 WeakPolarHBondContact OH-CD1 3.45Å; Y212-Y407 VanDerWaalsContact OH-CE1 3.24Å; Y212-Y407 WeakPolarHBondContact OH-CE1 3.44Å; V335-Y407 HydrophobicContact CB-CD1 4.33Å; V335-Y407 HydrophobicContact CB-CG 4.18Å; V335-Y407 HydrophobicContact CG1-CD1 3.62Å; V335-Y407 HydrophobicContact CG1-CE1 4.08Å; V335-Y407 HydrophobicContact CG1-CG 3.95Å; V335-Y407 VanDerWaalsContact CG2-CB 3.48Å; V335-Y407 HydrophobicContact CG2-CD1 4.38Å; V335-Y407 HydrophobicContact CG2-CD2 4.33Å; V335-Y407 HydrophobicContact CG2-CG 3.85Å; F403-Y407 AromaticContact CD2-CD2 3.41Å; F403-Y407 HydrophobicContact CD2-CD2 3.41Å; F403-Y407 VanDerWaalsContact CD2-CD2 3.41Å; F403-Y407 AromaticContact CD2-CE2 3.73Å; F403-Y407 HydrophobicContact CD2-CE2 3.73Å; F403-Y407 AromaticContact CE2-CD2 3.57Å; F403-Y407 HydrophobicContact CE2-CD2 3.57Å; F403-Y407 AromaticContact CE2-CE2 3.97Å; F403-Y407 HydrophobicContact CE2-CE2 3.97Å; F403-Y407 HydrophobicContact CE2-CG 4.37Å; F403-Y407 HydrophobicContact CG-CD2 4.39Å; F403-Y407 WeakPolarHBondContact O-CD2 3.47Å; F403-Y407 PolarHBondContact O-N 3.11Å; E405-Y407 VanDerWaalsContact C-N 3.35Å; E405-Y407 PolarHBondContact O-N 3.35Å; Y407-D409 WeakPolarHBondContact CA-OD1 3.46Å; Y407-D409 PolarHBondContact O-N 3.27Å; Y407-D409 VanDerWaalsContact O-N 3.09Å; Y407-R410 PolarHBondContact O-N 2.95Å; Y407-R412 PolarHBondContact O-NH1 2.92Å
408	S	90.1	Very high	94.7	Very high	22 Å²	22	17.5 Å²	17.5	15%	0.154	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.7	176.9	49.9	0	0	0	0	113.3	F404 E405 T406 R412 S460	F404-S408 PolarHBondContact O-N 3.29Å; E405-S408 WeakPolarHBondContact O-CB 3.48Å; E405-S408 PolarHBondContact O-N 3.08Å; E405-S408 PolarHBondContact O-OG 3.45Å; T406-S408 VanDerWaalsContact C-N 3.32Å; T406-S408 PolarHBondContact O-N 3.43Å; S408-R412 PolarHBondContact O-NH1 2.79Å; S408-S460 WeakPolarHBondContact CB-O 3.46Å
409	D	86.1	Confident	94.7	Very high	104 Å²	104	16 Å²	16	56%	0.556	8%	0.082	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-17.7	178.7	68.6	-50.1	0	0	0	114.9	Y407	Y407-D409 WeakPolarHBondContact CA-OD1 3.46Å; Y407-D409 PolarHBondContact O-N 3.27Å; Y407-D409 VanDerWaalsContact O-N 3.09Å
410	R	89.8	Confident	94.5	Very high	66 Å²	66	17 Å²	17	25%	0.249	9%	0.087	C	C	.	.	S	Bend	trans	-129.5	154.2	-178	-71.6	-163.5	-70.7	162.8	-7.6	111.7	Y212 V335 Y407 R412	Y212-R410 PolarHBondContact OH-NH2 3.42Å; V335-R410 HydrophobicContact CG1-CB 4.43Å; Y407-R410 PolarHBondContact O-N 2.95Å; R410-R412 PolarHBondContact O-NH1 3.5Å
411	P	95.7	Very high	94.2	Very high	22 Å²	22	17.1 Å²	17.1	14%	0.143	9%	0.088	C	C	.	.			trans	-63.7	145.4	173.4	30.1	-35.2	0	0	0	110.6	M233 Y334 V335	M233-P411 HydrophobicContact CB-CB 3.68Å; M233-P411 HydrophobicContact CB-CG 4Å; M233-P411 HydrophobicContact CG-CB 4.47Å; M233-P411 HydrophobicContact CG-CG 4.28Å; Y334-P411 CarbonylContact C-O 3.35Å; Y334-P411 VanDerWaalsContact CA-O 3.25Å; Y334-P411 WeakPolarHBondContact CA-O 3.36Å; Y334-P411 HydrophobicContact CD1-CB 3.8Å; Y334-P411 HydrophobicContact CD1-CG 4.26Å; Y334-P411 HydrophobicContact CD2-CB 3.97Å; Y334-P411 HydrophobicContact CD2-CG 3.62Å; Y334-P411 HydrophobicContact CE1-CB 3.62Å; Y334-P411 HydrophobicContact CE1-CG 4.36Å; Y334-P411 HydrophobicContact CE2-CB 3.77Å; Y334-P411 HydrophobicContact CE2-CG 3.71Å; Y334-P411 HydrophobicContact CG-CB 3.98Å; Y334-P411 HydrophobicContact CG-CG 3.9Å; V335-P411 WeakPolarHBondContact CG2-O 3.12Å; V335-P411 PolarHBondContact N-O 2.86Å
412	R	97.4	Very high	93.8	Very high	12 Å²	12	16 Å²	16	5%	0.045	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.7	-169.1	-67.5	158.1	-67.2	-84.7	9.6	111	N235 I236 V335 F403 F404 Y407 S408 R410 P464	N235-R412 CarbonylContact C-O 3.52Å; N235-R412 VanDerWaalsContact CA-O 3.23Å; N235-R412 WeakPolarHBondContact CA-O 3.46Å; N235-R412 HydrophobicContact CB-CB 4.26Å; N235-R412 PolarHBondContact ND2-NH2 3.18Å; N235-R412 PolarHBondContact OD1-N 3.22Å; N235-R412 PolarHBondContact OD1-NE 3.01Å; N235-R412 PolarHBondContact OD1-NH2 3.31Å; I236-R412 PolarHBondContact N-O 2.9Å; V335-R412 HydrophobicContact CG2-CB 4.15Å; V335-R412 HydrophobicContact CG2-CG 3.52Å; F403-R412 HydrophobicContact CE1-CB 3.77Å; F403-R412 HydrophobicContact CE1-CG 4.08Å; F403-R412 HydrophobicContact CZ-CB 4.1Å; F403-R412 HydrophobicContact CZ-CG 4.18Å; F404-R412 HydrophobicContact CE1-CB 4.41Å; F404-R412 HydrophobicContact CZ-CB 4.31Å; Y407-R412 PolarHBondContact O-NH1 2.92Å; S408-R412 PolarHBondContact O-NH1 2.79Å; R410-R412 PolarHBondContact O-NH1 3.5Å; R412-P464 PolarHBondContact NH2-O 3.28Å
413	F	98.7	Very high	93.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.2	172	-175.5	-71.9	0	0	0	107.4	I236 L238 I324 W325 Y328 Y334 V335 T336 H337 L534	I236-F413 HydrophobicContact CB-CD2 3.72Å; I236-F413 HydrophobicContact CB-CE2 4.2Å; I236-F413 HydrophobicContact CB-CG 4.28Å; I236-F413 HydrophobicContact CG1-CD2 3.97Å; I236-F413 HydrophobicContact CG2-CD2 3.93Å; I236-F413 HydrophobicContact CG2-CE2 3.87Å; I236-F413 CarbonylContact O-C 3.44Å; I236-F413 WeakPolarHBondContact O-CA 3.28Å; L238-F413 HydrophobicContact CD1-CE1 3.89Å; L238-F413 HydrophobicContact CD1-CE2 4.48Å; L238-F413 HydrophobicContact CD1-CZ 3.55Å; L238-F413 HydrophobicContact CG-CZ 4.36Å; I324-F413 HydrophobicContact CG2-CE2 4.44Å; I324-F413 HydrophobicContact CG2-CZ 3.88Å; W325-F413 HydrophobicContact CB-CD1 3.87Å; W325-F413 HydrophobicContact CB-CE1 3.83Å; W325-F413 HydrophobicContact CB-CZ 4.46Å; Y328-F413 AromaticContact CD1-CD2 3.91Å; Y328-F413 HydrophobicContact CD1-CD2 3.91Å; Y328-F413 AromaticContact CD2-CD2 3.91Å; Y328-F413 HydrophobicContact CD2-CD2 3.91Å; Y328-F413 AromaticContact CD2-CE2 3.89Å; Y328-F413 HydrophobicContact CD2-CE2 3.89Å; Y328-F413 HydrophobicContact CE1-CD2 4.21Å; Y328-F413 HydrophobicContact CE2-CD2 4.21Å; Y328-F413 AromaticContact CE2-CE2 3.97Å; Y328-F413 HydrophobicContact CE2-CE2 3.97Å; Y328-F413 AromaticContact CG-CD2 3.72Å; Y328-F413 HydrophobicContact CG-CD2 3.72Å; Y328-F413 HydrophobicContact CG-CE2 4.19Å; Y334-F413 HydrophobicContact CD1-CB 3.95Å; V335-F413 PolarHBondContact O-N 3.31Å; T336-F413 CarbonylContact C-O 3.55Å; T336-F413 VanDerWaalsContact CA-O 3.24Å; T336-F413 WeakPolarHBondContact CA-O 2.91Å; T336-F413 HydrophobicContact CG2-CB 4.23Å; H337-F413 PolarHBondContact N-O 2.77Å; F413-L534 HydrophobicContact CE2-CD1 4.45Å
414	S	98.8	Very high	92.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.9	-177.7	-178.5	0	0	0	0	110.9	I236 L238 H337 L400 T416	I236-S414 PolarHBondContact O-N 2.93Å; L238-S414 WeakPolarHBondContact CB-O 3.36Å; L238-S414 PolarHBondContact N-O 2.84Å; H337-S414 PolarHBondContact ND1-OG 3.18Å; H337-S414 WeakPolarHBondContact O-CA 3.36Å; L400-S414 WeakPolarHBondContact CD1-OG 3.24Å; S414-T416 PolarHBondContact OG-OG1 3.43Å
415	L	98.7	Very high	92.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	110.3	159.2	176.7	61.6	0	0	0	108.6	L238 L288 W325 H337 Y338 I339 F417 F473	L238-L415 HydrophobicContact CB-CD1 3.79Å; L238-L415 WeakPolarHBondContact O-CA 3.26Å; L288-L415 HydrophobicContact CD1-CD2 3.91Å; L288-L415 HydrophobicContact CD2-CD2 4.28Å; W325-L415 HydrophobicContact CZ3-CD2 4.01Å; H337-L415 PolarHBondContact O-N 3.4Å; Y338-L415 VanDerWaalsContact CA-O 3.28Å; Y338-L415 WeakPolarHBondContact CA-O 3.33Å; Y338-L415 HydrophobicContact CD2-CB 4.07Å; Y338-L415 HydrophobicContact CD2-CD2 3.68Å; Y338-L415 HydrophobicContact CD2-CG 3.82Å; Y338-L415 HydrophobicContact CE2-CD2 3.79Å; Y338-L415 HydrophobicContact CE2-CG 4.18Å; I339-L415 PolarHBondContact N-O 3.3Å; I339-L415 VanDerWaalsContact N-O 3.12Å; L415-F417 HydrophobicContact CD1-CD2 4.4Å; L415-F473 HydrophobicContact CD1-CE1 4.47Å; L415-F473 HydrophobicContact CD1-CZ 4.33Å
416	T	98.5	Very high	92	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.2	173.1	-63	0	0	0	0	107.3	L238 L239 G240 I339 L396 S414 L418	L238-T416 PolarHBondContact O-N 2.9Å; L239-T416 WeakPolarHBondContact CA-O 3.2Å; L239-T416 HydrophobicContact CD1-CG2 3.94Å; G240-T416 PolarHBondContact N-O 3.02Å; I339-T416 HydrophobicContact CG2-CG2 3.94Å; L396-T416 HydrophobicContact CB-CG2 4.18Å; S414-T416 PolarHBondContact OG-OG1 3.43Å; T416-L418 HydrophobicContact CG2-CD2 4.44Å
417	F	97.9	Very high	91.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114	-170	-156.2	-101.6	0	0	0	111	D242 T280 L284 I339 E340 L396 L415 F473 D475	D242-F417 HydrophobicContact CB-CE1 3.51Å; D242-F417 HydrophobicContact CB-CZ 3.75Å; T280-F417 HydrophobicContact CG2-CD1 4.38Å; T280-F417 HydrophobicContact CG2-CE1 3.46Å; T280-F417 VanDerWaalsContact CG2-CE1 3.46Å; T280-F417 HydrophobicContact CG2-CZ 3.64Å; L284-F417 HydrophobicContact CD1-CD1 4.37Å; L284-F417 HydrophobicContact CD1-CD2 3.89Å; L284-F417 HydrophobicContact CD1-CE1 4.26Å; L284-F417 HydrophobicContact CD1-CE2 3.81Å; L284-F417 HydrophobicContact CD1-CG 4.2Å; L284-F417 HydrophobicContact CD1-CZ 4Å; L284-F417 HydrophobicContact CD2-CD2 4.39Å; L284-F417 HydrophobicContact CD2-CE2 3.91Å; L284-F417 HydrophobicContact CG-CE2 4.27Å; L284-F417 HydrophobicContact CG-CZ 4.47Å; I339-F417 PolarHBondContact O-N 3.33Å; E340-F417 WeakPolarHBondContact CA-O 3.41Å; E340-F417 HydrophobicContact CB-CB 4.26Å; E340-F417 HydrophobicContact CG-CB 4.38Å; E340-F417 HydrophobicContact CG-CD1 4.2Å; L396-F417 VanDerWaalsContact CD2-O 3.26Å; L396-F417 WeakPolarHBondContact CD2-O 3.43Å; L415-F417 HydrophobicContact CD1-CD2 4.4Å; F417-F473 HydrophobicContact CD2-CZ 4.44Å; F417-F473 HydrophobicContact CE2-CE2 4.33Å; F417-F473 HydrophobicContact CE2-CZ 4.21Å; F417-D475 HydrophobicContact CE2-CB 4.44Å; F417-D475 HydrophobicContact CZ-CB 3.91Å
418	L	97.4	Very high	91.9	Very high	4 Å²	4	26 Å²	26	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	96.4	-178.8	-51.8	-178.9	0	0	0	109.2	G240 I241 D242 H393 L396 T416 I432	G240-L418 PolarHBondContact O-N 3.4Å; I241-L418 CarbonylContact C-O 3.46Å; I241-L418 WeakPolarHBondContact CA-O 3.23Å; I241-L418 HydrophobicContact CG1-CD1 4.42Å; I241-L418 HydrophobicContact CG2-CB 4.43Å; D242-L418 PolarHBondContact N-O 2.8Å; H393-L418 HydrophobicContact CB-CD1 4.35Å; H393-L418 HydrophobicContact CB-CD2 4.08Å; L396-L418 HydrophobicContact CB-CD2 3.84Å; L396-L418 HydrophobicContact CD2-CD2 3.65Å; L396-L418 HydrophobicContact CG-CD2 4.39Å; T416-L418 HydrophobicContact CG2-CD2 4.44Å; L418-I432 HydrophobicContact CD1-CG2 4.05Å
419	S	93.2	Very high	92.1	Very high	5 Å²	5	25 Å²	25	4%	0.035	12%	0.123	C	C	.	.			trans	-108.5	-36.3	-173.4	172	0	0	0	0	113.1	D242 D341 T342 H423	D242-S419 VanDerWaalsContact O-O 3.14Å; D242-S419 PolarHBondContact OD2-OG 3.29Å; D341-S419 WeakPolarHBondContact OD1-CA 3.42Å; D341-S419 PolarHBondContact OD1-N 3.09Å; T342-S419 WeakPolarHBondContact CG2-OG 3.34Å; S419-H423 WeakPolarHBondContact O-CB 3.33Å
420	E	91.5	Very high	92.4	Very high	24 Å²	24	25 Å²	25	11%	0.112	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-51.9	-166.2	-163.5	-160.7	147	0	0	114.1	D341 T342 K382 L384 G385 T392 I422	D341-E420 HydrophobicContact CB-CB 4.26Å; D341-E420 PolarHBondContact OD1-N 3.18Å; D341-E420 PolarHBondContact OD2-N 3.06Å; T342-E420 HydrophobicContact CG2-CB 3.96Å; T342-E420 HydrophobicContact CG2-CG 4.39Å; K382-E420 VanDerWaalsContact CE-CD 3.44Å; K382-E420 WeakPolarHBondContact CE-OE1 3.21Å; K382-E420 WeakPolarHBondContact CE-OE2 3.45Å; K382-E420 IonicContact NZ-OE1 2.79Å; K382-E420 PolarHBondContact NZ-OE1 3.38Å; K382-E420 IonicContact NZ-OE2 3.38Å; K382-E420 PolarHBondContact NZ-OE2 3.11Å; L384-E420 HydrophobicContact CD1-CG 4.44Å; G385-E420 PolarHBondContact N-OE1 3.08Å; T392-E420 PolarHBondContact OG1-OE2 3.3Å; E420-I422 PolarHBondContact O-N 3.37Å
421	L	90.3	Very high	92.7	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-30.4	-161.4	174.7	59.1	0	0	0	113.8	P90 Y428 L431 I432	P90-L421 HydrophobicContact CB-CD1 4.41Å; P90-L421 HydrophobicContact CG-CD1 4.1Å; L421-Y428 VanDerWaalsContact O-CD2 3.31Å; L421-Y428 WeakPolarHBondContact O-CD2 3.46Å; L421-L431 HydrophobicContact CD1-CD1 4.05Å; L421-L431 HydrophobicContact CD2-CB 4.01Å; L421-L431 HydrophobicContact CD2-CD1 4.2Å; L421-I432 HydrophobicContact CB-CD1 4.45Å; L421-I432 HydrophobicContact CD2-CD1 4.03Å; L421-I432 HydrophobicContact CD2-CG1 3.74Å; L421-I432 HydrophobicContact CG-CD1 4.49Å
422	I	88.5	Confident	92.7	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-7.5	-172	76.8	165.6	0	0	0	114.3	I241 D242 I244 E420 E424 N425 A429 I432	I241-I422 HydrophobicContact CG2-CD1 3.26Å; I241-I422 HydrophobicContact CG2-CG1 4.02Å; D242-I422 WeakPolarHBondContact O-CG1 3.39Å; I244-I422 HydrophobicContact CB-CD1 4.03Å; E420-I422 PolarHBondContact O-N 3.37Å; I422-E424 VanDerWaalsContact C-N 3.27Å; I422-E424 PolarHBondContact O-N 3.14Å; I422-E424 VanDerWaalsContact O-N 3.17Å; I422-N425 CarbonylContact O-C 3.57Å; I422-N425 PolarHBondContact O-N 3.38Å; I422-A429 HydrophobicContact CD1-CB 4.44Å; I422-A429 HydrophobicContact CG2-CB 4.1Å; I422-I432 HydrophobicContact CG2-CD1 3.64Å
423	H	85.3	Confident	92.8	Very high	56 Å²	56	22.4 Å²	22.4	26%	0.259	11%	0.108	S	C	.	.	S	Bend	trans	-47	-46.8	-176.9	-176.1	-92.5	0	0	0	113.4	D242 S419 M480	D242-H423 PolarHBondContact O-N 2.88Å; D242-H423 IonicContact OD1-CD2 3.78Å; D242-H423 PolarHBondContact OD1-CD2 2.95Å; D242-H423 IonicContact OD2-CD2 3.71Å; D242-H423 PolarHBondContact OD2-CD2 2.86Å; S419-H423 WeakPolarHBondContact O-CB 3.33Å; H423-M480 WeakPolarHBondContact CE1-CE 3.33Å
424	E	80.1	Confident	92.7	Very high	107 Å²	107	26.5 Å²	26.5	50%	0.5	13%	0.127	S	C	.	.	S	Bend	trans	-84	-27.7	-178.4	-60.9	-55.4	137	0	0	113.7	I422	I422-E424 VanDerWaalsContact C-N 3.27Å; I422-E424 PolarHBondContact O-N 3.14Å; I422-E424 VanDerWaalsContact O-N 3.17Å
425	N	85.8	Confident	92.7	Very high	55 Å²	55	28 Å²	28	29%	0.294	14%	0.135	S	C	.	.			trans	-148.3	108.8	-176.2	-169.3	-23.7	0	0	0	111.5	I422 A427 Y428	I422-N425 CarbonylContact O-C 3.57Å; I422-N425 PolarHBondContact O-N 3.38Å; N425-A427 PolarHBondContact O-N 2.95Å; N425-A427 WeakPolarHBondContact OD1-CB 3.34Å; N425-A427 PolarHBondContact OD1-N 2.72Å; N425-Y428 HydrophobicContact CB-CD1 4.37Å; N425-Y428 HydrophobicContact CB-CD2 3.82Å; N425-Y428 HydrophobicContact CB-CE1 4.33Å; N425-Y428 HydrophobicContact CB-CE2 3.76Å; N425-Y428 HydrophobicContact CB-CG 4.15Å; N425-Y428 WeakPolarHBondContact O-CB 3.11Å; N425-Y428 PolarHBondContact O-N 3.38Å
426	P	86.2	Confident	92.6	Very high	22 Å²	22	28 Å²	28	14%	0.143	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-63	-19.8	-178.7	26.6	-36.1	0	0	0	112.9	Y252 Y428 A429 P478	Y252-P426 HydrophobicContact CD2-CB 4.24Å; Y252-P426 VanDerWaalsContact CD2-O 3.27Å; Y252-P426 WeakPolarHBondContact CD2-O 3.32Å; Y252-P426 HydrophobicContact CE2-CB 4.23Å; Y252-P426 HydrophobicContact CE2-CG 4.27Å; P426-Y428 PolarHBondContact O-N 2.94Å; P426-A429 WeakPolarHBondContact O-CB 3.24Å; P426-A429 PolarHBondContact O-N 3.38Å; P426-A429 VanDerWaalsContact O-N 3.12Å; P426-P478 HydrophobicContact CB-CG 4.11Å; P426-P478 HydrophobicContact CG-CB 4.3Å; P426-P478 HydrophobicContact CG-CG 3.81Å
427	A	86.8	Confident	92.6	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.017	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-65.5	-20.3	176.7	0	0	0	0	0	113.3	I87 Y252 N425 A429 K430	I87-A427 HydrophobicContact CD1-CB 3.75Å; I87-A427 HydrophobicContact CG1-CB 4.1Å; I87-A427 HydrophobicContact CG2-CB 4.01Å; Y252-A427 HydrophobicContact CD1-CB 4.18Å; Y252-A427 HydrophobicContact CE1-CB 3.7Å; Y252-A427 HydrophobicContact CE2-CB 4.1Å; N425-A427 PolarHBondContact O-N 2.95Å; N425-A427 WeakPolarHBondContact OD1-CB 3.34Å; N425-A427 PolarHBondContact OD1-N 2.72Å; A427-A429 PolarHBondContact O-N 2.83Å; A427-K430 WeakPolarHBondContact O-CG 3.12Å; A427-K430 PolarHBondContact O-N 2.76Å
428	Y	92.6	Very high	92.7	Very high	40 Å²	40	33.6 Å²	33.6	16%	0.157	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-69.9	-14	175.1	-63	-16.5	0	0	0	112.9	I87 N88 L89 P90 L384 L421 N425 P426 K430 L431	I87-Y428 HydrophobicContact CG2-CD1 3.99Å; I87-Y428 HydrophobicContact CG2-CE1 3.85Å; N88-Y428 VanDerWaalsContact O-CE1 3.29Å; N88-Y428 WeakPolarHBondContact O-CE1 3.36Å; N88-Y428 PolarHBondContact O-OH 2.83Å; L89-Y428 HydrophobicContact CD2-CD1 3.86Å; L89-Y428 HydrophobicContact CD2-CE1 4.47Å; P90-Y428 HydrophobicContact CG-CD2 3.99Å; P90-Y428 HydrophobicContact CG-CE1 4.4Å; P90-Y428 HydrophobicContact CG-CE2 3.8Å; P90-Y428 HydrophobicContact CG-CG 4.36Å; L384-Y428 HydrophobicContact CD2-CD2 4.25Å; L384-Y428 HydrophobicContact CD2-CE2 3.82Å; L421-Y428 VanDerWaalsContact O-CD2 3.31Å; L421-Y428 WeakPolarHBondContact O-CD2 3.46Å; N425-Y428 HydrophobicContact CB-CD1 4.37Å; N425-Y428 HydrophobicContact CB-CD2 3.82Å; N425-Y428 HydrophobicContact CB-CE1 4.33Å; N425-Y428 HydrophobicContact CB-CE2 3.76Å; N425-Y428 HydrophobicContact CB-CG 4.15Å; N425-Y428 WeakPolarHBondContact O-CB 3.11Å; N425-Y428 PolarHBondContact O-N 3.38Å; P426-Y428 PolarHBondContact O-N 2.94Å; Y428-K430 PolarHBondContact O-N 2.95Å; Y428-L431 WeakPolarHBondContact O-CB 3.23Å; Y428-L431 PolarHBondContact O-N 2.82Å
429	A	94.4	Very high	92.7	Very high	2 Å²	2	34 Å²	34	2%	0.017	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-56.2	-21.6	171.4	0	0	0	0	0	113.1	I244 L253 I422 P426 A427 L431 I432 D433	I244-A429 HydrophobicContact CD1-CB 3.93Å; L253-A429 HydrophobicContact CD2-CB 3.85Å; L253-A429 HydrophobicContact CG-CB 4.18Å; I422-A429 HydrophobicContact CD1-CB 4.44Å; I422-A429 HydrophobicContact CG2-CB 4.1Å; P426-A429 WeakPolarHBondContact O-CB 3.24Å; P426-A429 PolarHBondContact O-N 3.38Å; P426-A429 VanDerWaalsContact O-N 3.12Å; A427-A429 PolarHBondContact O-N 2.83Å; A429-L431 PolarHBondContact O-N 3.41Å; A429-L431 VanDerWaalsContact O-N 3.16Å; A429-I432 PolarHBondContact O-N 3.38Å; A429-D433 PolarHBondContact O-N 3.48Å
430	K	93.7	Very high	93	Very high	104 Å²	104	33.8 Å²	33.8	45%	0.452	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-54.2	-29.8	170.3	-72.3	-176.5	178	-174.8	0	113.9	I87 Y252 A427 Y428	I87-K430 HydrophobicContact CD1-CD 4.37Å; Y252-K430 HydrophobicContact CD1-CG 4.28Å; A427-K430 WeakPolarHBondContact O-CG 3.12Å; A427-K430 PolarHBondContact O-N 2.76Å; Y428-K430 PolarHBondContact O-N 2.95Å
431	L	95.2	Very high	93.3	Very high	33 Å²	33	35.8 Å²	35.8	17%	0.173	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-76.8	-23.4	177.1	-70.2	171.5	0	0	0	112.8	L89 Y391 L421 Y428 A429	L89-L431 HydrophobicContact CB-CD1 4.12Å; L89-L431 HydrophobicContact CB-CD2 4.24Å; L89-L431 HydrophobicContact CB-CG 4.3Å; L89-L431 HydrophobicContact CD1-CD2 3.98Å; L89-L431 HydrophobicContact CD1-CG 4.25Å; L89-L431 HydrophobicContact CD2-CD1 4.38Å; L89-L431 HydrophobicContact CD2-CG 4.16Å; L89-L431 HydrophobicContact CG-CG 4.47Å; Y391-L431 HydrophobicContact CE1-CD1 3.84Å; Y391-L431 HydrophobicContact CE1-CD2 4.41Å; L421-L431 HydrophobicContact CD1-CD1 4.05Å; L421-L431 HydrophobicContact CD2-CB 4.01Å; L421-L431 HydrophobicContact CD2-CD1 4.2Å; Y428-L431 WeakPolarHBondContact O-CB 3.23Å; Y428-L431 PolarHBondContact O-N 2.82Å; A429-L431 PolarHBondContact O-N 3.41Å; A429-L431 VanDerWaalsContact O-N 3.16Å
432	I	96.5	Very high	93.7	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-33.5	-178.1	-55.8	177.9	0	0	0	110.8	H393 L418 L421 I422 A429 E434 D435 L436	H393-I432 HydrophobicContact CB-CG1 4.44Å; L418-I432 HydrophobicContact CD1-CG2 4.05Å; L421-I432 HydrophobicContact CB-CD1 4.45Å; L421-I432 HydrophobicContact CD2-CD1 4.03Å; L421-I432 HydrophobicContact CD2-CG1 3.74Å; L421-I432 HydrophobicContact CG-CD1 4.49Å; I422-I432 HydrophobicContact CG2-CD1 3.64Å; A429-I432 PolarHBondContact O-N 3.38Å; I432-E434 VanDerWaalsContact C-N 3.3Å; I432-E434 PolarHBondContact O-N 2.99Å; I432-E434 VanDerWaalsContact O-N 3.11Å; I432-D435 PolarHBondContact O-N 3.05Å; I432-L436 HydrophobicContact CG2-CB 4.12Å; I432-L436 WeakPolarHBondContact O-CB 3.25Å; I432-L436 PolarHBondContact O-N 3.5Å
433	D	97.9	Very high	94.2	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.043	19%	0.185	C	C	.	.	H	α-helix	trans	-50.3	-42.6	-168	-174	32.1	0	0	0	114.6	L253 T254 K255 T256 A429 S437	L253-D433 VanDerWaalsContact C-CG 3.44Å; L253-D433 VanDerWaalsContact CA-CG 3.45Å; L253-D433 VanDerWaalsContact CA-OD1 3.28Å; L253-D433 WeakPolarHBondContact CA-OD1 3.47Å; L253-D433 HydrophobicContact CD2-CB 3.87Å; T254-D433 PolarHBondContact N-OD2 2.77Å; T254-D433 VanDerWaalsContact N-OD2 3.09Å; K255-D433 VanDerWaalsContact CB-OD2 3.32Å; K255-D433 WeakPolarHBondContact CB-OD2 3.49Å; K255-D433 WeakPolarHBondContact CG-OD2 3.44Å; K255-D433 PolarHBondContact N-OD1 2.84Å; K255-D433 PolarHBondContact N-OD2 3.07Å; T256-D433 VanDerWaalsContact CB-OD1 3.3Å; T256-D433 WeakPolarHBondContact CB-OD1 3.44Å; T256-D433 PolarHBondContact N-OD1 2.96Å; T256-D433 PolarHBondContact OG1-O 2.82Å; T256-D433 PolarHBondContact OG1-OD1 3.14Å; A429-D433 PolarHBondContact O-N 3.48Å; D433-S437 WeakPolarHBondContact O-CB 3.19Å; D433-S437 PolarHBondContact O-N 2.87Å
434	E	97.9	Very high	94.8	Very high	86 Å²	86	39.4 Å²	39.4	40%	0.402	18%	0.182	S	C	.	.	H	α-helix	trans	-67.7	-45.6	179.6	-178.9	167.3	158.2	0	0	112.9	K255 I432 K438	K255-E434 HydrophobicContact CD-CB 4.3Å; K255-E434 IonicContact NZ-OE2 3.52Å; K255-E434 PolarHBondContact NZ-OE2 3.09Å; I432-E434 VanDerWaalsContact C-N 3.3Å; I432-E434 PolarHBondContact O-N 2.99Å; I432-E434 VanDerWaalsContact O-N 3.11Å; E434-K438 HydrophobicContact CG-CD 4.29Å; E434-K438 WeakPolarHBondContact O-CB 3.39Å; E434-K438 VanDerWaalsContact O-CG 3.29Å; E434-K438 WeakPolarHBondContact O-CG 3.34Å; E434-K438 PolarHBondContact O-N 3.46Å; E434-K438 WeakPolarHBondContact OE1-CE 3.24Å; E434-K438 IonicContact OE1-NZ 3.33Å; E434-K438 PolarHBondContact OE1-NZ 2.68Å
435	D	97.7	Very high	95.6	Very high	32 Å²	32	40 Å²	40	17%	0.171	18%	0.181	C	C	.	.	H	α-helix	trans	-70.4	-37.6	-178.9	-62.5	-49.4	0	0	0	110.7	H393 K394 L397 I432 K438 L439	H393-D435 IonicContact CD2-OD2 3.6Å; H393-D435 IonicContact CE1-OD2 3.8Å; H393-D435 IonicContact NE2-OD2 3.15Å; H393-D435 PolarHBondContact NE2-OD2 3.29Å; K394-D435 VanDerWaalsContact CE-CG 3.47Å; K394-D435 WeakPolarHBondContact CE-OD1 3.27Å; K394-D435 WeakPolarHBondContact CE-OD2 3.48Å; K394-D435 IonicContact NZ-OD1 3.78Å; K394-D435 IonicContact NZ-OD2 2.86Å; L397-D435 HydrophobicContact CD1-CB 4.11Å; I432-D435 PolarHBondContact O-N 3.05Å; D435-K438 PolarHBondContact O-N 2.79Å; D435-L439 PolarHBondContact O-N 2.96Å
436	L	98.2	Very high	96	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-49.6	173.7	-179.6	61.4	0	0	0	111.4	L239 I241 L253 T256 I432 K438 L439 I440 L472	L239-L436 HydrophobicContact CD2-CD1 3.46Å; L239-L436 VanDerWaalsContact CD2-CD1 3.46Å; L239-L436 HydrophobicContact CG-CD1 4.4Å; I241-L436 HydrophobicContact CD1-CD2 3.83Å; L253-L436 HydrophobicContact CD1-CD2 4.18Å; L253-L436 HydrophobicContact CD2-CD2 4.23Å; T256-L436 HydrophobicContact CG2-CD2 3.92Å; T256-L436 HydrophobicContact CG2-CG 4.03Å; I432-L436 HydrophobicContact CG2-CB 4.12Å; I432-L436 WeakPolarHBondContact O-CB 3.25Å; I432-L436 PolarHBondContact O-N 3.5Å; L436-K438 VanDerWaalsContact C-N 3.3Å; L436-K438 PolarHBondContact O-N 3.46Å; L436-L439 PolarHBondContact O-N 3.09Å; L436-I440 HydrophobicContact CD1-CG1 4.38Å; L436-I440 WeakPolarHBondContact O-CG1 3.08Å; L436-I440 PolarHBondContact O-N 2.74Å; L436-L472 HydrophobicContact CD1-CD1 4.09Å; L436-L472 HydrophobicContact CD2-CD1 4.32Å; L436-L472 HydrophobicContact CD2-CD2 4.33Å
437	S	98.6	Very high	96.5	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.035	17%	0.166	C	C	.	.	H	α-helix	trans	-58.8	-42.1	177.3	-175.7	0	0	0	0	111.6	K255 T256 D433 L439 I440 Q441	K255-S437 PolarHBondContact O-OG 2.92Å; T256-S437 PolarHBondContact OG1-N 3.27Å; D433-S437 WeakPolarHBondContact O-CB 3.19Å; D433-S437 PolarHBondContact O-N 2.87Å; S437-L439 PolarHBondContact O-N 2.87Å; S437-I440 PolarHBondContact O-N 3.5Å; S437-Q441 WeakPolarHBondContact O-CB 3.31Å; S437-Q441 WeakPolarHBondContact O-CG 3.47Å; S437-Q441 PolarHBondContact O-N 3Å; S437-Q441 PolarHBondContact O-NE2 2.92Å; S437-Q441 PolarHBondContact OG-NE2 3.15Å
438	K	98.6	Very high	96.8	Very high	111 Å²	111	40 Å²	40	48%	0.483	18%	0.178	S	C	.	.	H	α-helix	trans	-61.3	-42.7	175.5	-77	173.4	-174.6	168.1	0	112.6	E434 D435 L436 Q441 R442	E434-K438 HydrophobicContact CG-CD 4.29Å; E434-K438 WeakPolarHBondContact O-CB 3.39Å; E434-K438 VanDerWaalsContact O-CG 3.29Å; E434-K438 WeakPolarHBondContact O-CG 3.34Å; E434-K438 PolarHBondContact O-N 3.46Å; E434-K438 WeakPolarHBondContact OE1-CE 3.24Å; E434-K438 IonicContact OE1-NZ 3.33Å; E434-K438 PolarHBondContact OE1-NZ 2.68Å; D435-K438 PolarHBondContact O-N 2.79Å; L436-K438 VanDerWaalsContact C-N 3.3Å; L436-K438 PolarHBondContact O-N 3.46Å; K438-Q441 PolarHBondContact O-N 3.41Å; K438-R442 WeakPolarHBondContact O-CB 3.47Å; K438-R442 PolarHBondContact O-N 3.15Å
439	L	98.5	Very high	96.8	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.063	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-48.7	176.5	175.7	65.5	0	0	0	111.5	L239 L397 L400 D435 L436 S437 Q441 R442 I443 F465	L239-L439 HydrophobicContact CD2-CD2 3.9Å; L397-L439 HydrophobicContact CD2-CD2 3.82Å; L400-L439 HydrophobicContact CD2-CD2 3.8Å; D435-L439 PolarHBondContact O-N 2.96Å; L436-L439 PolarHBondContact O-N 3.09Å; S437-L439 PolarHBondContact O-N 2.87Å; L439-Q441 VanDerWaalsContact C-N 3.32Å; L439-Q441 PolarHBondContact O-N 2.99Å; L439-R442 WeakPolarHBondContact O-CB 3.04Å; L439-R442 PolarHBondContact O-N 3.5Å; L439-I443 HydrophobicContact CD1-CD1 4.11Å; L439-I443 HydrophobicContact CD1-CG1 4.36Å; L439-I443 HydrophobicContact CG-CD1 3.94Å; L439-I443 WeakPolarHBondContact O-CG1 3.2Å; L439-I443 PolarHBondContact O-N 3.13Å; L439-F465 HydrophobicContact CD1-CE1 4.22Å; L439-F465 HydrophobicContact CD1-CZ 4Å
440	I	98.6	Very high	96.6	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-40.2	-179.8	-61.1	-56.4	0	0	0	111.2	L239 F259 L260 L436 S437 I443 Y444 V470 I501	L239-I440 HydrophobicContact CD2-CD1 4.46Å; F259-I440 HydrophobicContact CD1-CB 4.45Å; F259-I440 HydrophobicContact CD1-CG2 3.83Å; F259-I440 HydrophobicContact CE1-CG2 3.88Å; L260-I440 HydrophobicContact CD2-CG2 4.17Å; L436-I440 HydrophobicContact CD1-CG1 4.38Å; L436-I440 WeakPolarHBondContact O-CG1 3.08Å; L436-I440 PolarHBondContact O-N 2.74Å; S437-I440 PolarHBondContact O-N 3.5Å; I440-I443 HydrophobicContact CD1-CD1 4.36Å; I440-I443 PolarHBondContact O-N 3.41Å; I440-Y444 WeakPolarHBondContact O-CB 3.46Å; I440-Y444 PolarHBondContact O-N 3.28Å; I440-V470 HydrophobicContact CD1-CG1 4.14Å; I440-I501 HydrophobicContact CD1-CD1 3.97Å; I440-I501 HydrophobicContact CG1-CD1 4.48Å; I440-I501 HydrophobicContact CG2-CD1 3.44Å; I440-I501 VanDerWaalsContact CG2-CD1 3.44Å
441	Q	98.6	Very high	96.2	Very high	66 Å²	66	42.7 Å²	42.7	31%	0.308	20%	0.195	S	C	.	.	H	α-helix	trans	-59.2	-47.3	172.2	-76.1	175.6	57.2	0	0	112	F259 S437 K438 L439 I443 Y444 Y445	F259-Q441 HydrophobicContact CD1-CG 3.79Å; F259-Q441 HydrophobicContact CD2-CG 3.62Å; F259-Q441 HydrophobicContact CE1-CB 4.29Å; F259-Q441 HydrophobicContact CE1-CG 3.68Å; F259-Q441 HydrophobicContact CE2-CG 3.53Å; F259-Q441 HydrophobicContact CG-CG 3.76Å; F259-Q441 HydrophobicContact CZ-CB 4.17Å; F259-Q441 HydrophobicContact CZ-CG 3.56Å; S437-Q441 WeakPolarHBondContact O-CB 3.31Å; S437-Q441 WeakPolarHBondContact O-CG 3.47Å; S437-Q441 PolarHBondContact O-N 3Å; S437-Q441 PolarHBondContact O-NE2 2.92Å; S437-Q441 PolarHBondContact OG-NE2 3.15Å; K438-Q441 PolarHBondContact O-N 3.41Å; L439-Q441 VanDerWaalsContact C-N 3.32Å; L439-Q441 PolarHBondContact O-N 2.99Å; Q441-I443 PolarHBondContact O-N 2.85Å; Q441-Y444 PolarHBondContact O-N 2.93Å; Q441-Y445 HydrophobicContact CB-CD2 4.22Å; Q441-Y445 HydrophobicContact CB-CE2 4.17Å; Q441-Y445 HydrophobicContact CG-CE2 4.41Å; Q441-Y445 WeakPolarHBondContact O-CD2 3.42Å; Q441-Y445 PolarHBondContact O-N 2.86Å
442	R	98	Very high	95.7	Very high	80 Å²	80	45 Å²	45	30%	0.302	21%	0.214	S	C	.	.	H	α-helix	trans	-56.9	-49.8	176.6	179.3	-178.5	177.5	-175.2	-2.1	111.1	E405 K438 L439 Y444 Y445 E446 F465	E405-R442 IonicContact OE1-CZ 3.47Å; E405-R442 IonicContact OE1-NH1 3.72Å; E405-R442 IonicContact OE1-NH2 3.67Å; E405-R442 PolarHBondContact OE1-NH2 3.47Å; K438-R442 WeakPolarHBondContact O-CB 3.47Å; K438-R442 PolarHBondContact O-N 3.15Å; L439-R442 WeakPolarHBondContact O-CB 3.04Å; L439-R442 PolarHBondContact O-N 3.5Å; R442-Y444 VanDerWaalsContact C-N 3.32Å; R442-Y444 PolarHBondContact O-N 3.25Å; R442-Y445 PolarHBondContact O-N 2.88Å; R442-E446 HydrophobicContact CG-CG 4.16Å; R442-E446 WeakPolarHBondContact CG-OE1 3.38Å; R442-E446 IonicContact CZ-OE1 2.96Å; R442-E446 IonicContact NE-OE1 3.24Å; R442-E446 PolarHBondContact NE-OE1 3.47Å; R442-E446 IonicContact NH2-OE1 3.21Å; R442-E446 PolarHBondContact NH2-OE1 3.01Å; R442-E446 VanDerWaalsContact O-CB 3.27Å; R442-E446 WeakPolarHBondContact O-CB 3.47Å; R442-E446 VanDerWaalsContact O-CG 3.29Å; R442-E446 WeakPolarHBondContact O-CG 3.34Å; R442-E446 PolarHBondContact O-N 3.19Å; R442-F465 HydrophobicContact CG-CD2 4.32Å; R442-F465 VanDerWaalsContact CZ-CE2 3.47Å
443	I	98.3	Very high	94.3	Very high	7 Å²	7	48 Å²	48	4%	0.036	25%	0.246	C	C	.	.	H	α-helix	trans	-56.8	-48.1	179.4	-66.1	164.6	0	0	0	110.7	L237 L439 I440 Q441 D447 F465 V470	L237-I443 HydrophobicContact CD2-CD1 3.7Å; L439-I443 HydrophobicContact CD1-CD1 4.11Å; L439-I443 HydrophobicContact CD1-CG1 4.36Å; L439-I443 HydrophobicContact CG-CD1 3.94Å; L439-I443 WeakPolarHBondContact O-CG1 3.2Å; L439-I443 PolarHBondContact O-N 3.13Å; I440-I443 HydrophobicContact CD1-CD1 4.36Å; I440-I443 PolarHBondContact O-N 3.41Å; Q441-I443 PolarHBondContact O-N 2.85Å; I443-D447 PolarHBondContact O-N 2.96Å; I443-F465 HydrophobicContact CB-CB 4.28Å; I443-F465 HydrophobicContact CD1-CD1 4.2Å; I443-F465 HydrophobicContact CG1-CB 3.86Å; I443-F465 HydrophobicContact CG1-CD1 3.62Å; I443-F465 HydrophobicContact CG1-CE1 4.3Å; I443-F465 HydrophobicContact CG1-CG 3.8Å; I443-F465 HydrophobicContact CG2-CB 4.44Å; I443-V470 HydrophobicContact CD1-CG2 3.97Å; I443-V470 HydrophobicContact CG2-CG2 3.89Å
444	Y	98.3	Very high	92.3	Very high	50 Å²	50	55.3 Å²	55.3	20%	0.196	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-50.9	-179.5	178.2	-103.7	0	0	0	112.6	F259 I263 I440 Q441 R442 D447 L448	F259-Y444 AromaticContact CZ-CD1 3.87Å; F259-Y444 HydrophobicContact CZ-CD1 3.87Å; F259-Y444 HydrophobicContact CZ-CG 4.15Å; I263-Y444 HydrophobicContact CB-CD2 4.36Å; I263-Y444 HydrophobicContact CB-CE2 4.02Å; I263-Y444 HydrophobicContact CD1-CD2 3.9Å; I263-Y444 HydrophobicContact CD1-CE2 4.38Å; I263-Y444 HydrophobicContact CD1-CG 4.21Å; I263-Y444 HydrophobicContact CG2-CD1 3.95Å; I263-Y444 HydrophobicContact CG2-CD2 4.11Å; I263-Y444 HydrophobicContact CG2-CE1 3.57Å; I263-Y444 HydrophobicContact CG2-CE2 3.77Å; I263-Y444 HydrophobicContact CG2-CG 4.19Å; I263-Y444 VanDerWaalsContact CG2-CZ 3.46Å; I440-Y444 WeakPolarHBondContact O-CB 3.46Å; I440-Y444 PolarHBondContact O-N 3.28Å; Q441-Y444 PolarHBondContact O-N 2.93Å; R442-Y444 VanDerWaalsContact C-N 3.32Å; R442-Y444 PolarHBondContact O-N 3.25Å; Y444-D447 PolarHBondContact O-N 3.5Å; Y444-L448 HydrophobicContact CD1-CD1 4.08Å; Y444-L448 HydrophobicContact CE1-CD1 3.42Å; Y444-L448 VanDerWaalsContact CE1-CD1 3.42Å; Y444-L448 HydrophobicContact CE1-CG 4.23Å; Y444-L448 HydrophobicContact CE2-CD1 4.43Å; Y444-L448 PolarHBondContact O-N 2.95Å; Y444-L448 VanDerWaalsContact O-N 3.08Å
445	Y	97	Very high	90.1	Very high	120 Å²	120	55.2 Å²	55.2	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-70.9	-36.1	-177	-69.5	-58.5	0	0	0	112.8	F259 Q441 R442 D447 L448 M449	F259-Y445 HydrophobicContact CE2-CE2 4.34Å; F259-Y445 HydrophobicContact CZ-CE2 4.38Å; Q441-Y445 HydrophobicContact CB-CD2 4.22Å; Q441-Y445 HydrophobicContact CB-CE2 4.17Å; Q441-Y445 HydrophobicContact CG-CE2 4.41Å; Q441-Y445 WeakPolarHBondContact O-CD2 3.42Å; Q441-Y445 PolarHBondContact O-N 2.86Å; R442-Y445 PolarHBondContact O-N 2.88Å; Y445-D447 VanDerWaalsContact C-N 3.29Å; Y445-D447 PolarHBondContact O-N 3.25Å; Y445-L448 HydrophobicContact CD1-CD1 4.26Å; Y445-L448 PolarHBondContact O-N 2.88Å; Y445-M449 WeakPolarHBondContact O-CB 3.13Å; Y445-M449 VanDerWaalsContact O-CG 3.27Å; Y445-M449 WeakPolarHBondContact O-CG 3.27Å; Y445-M449 PolarHBondContact O-N 2.85Å
446	E	95.3	Very high	87.8	Confident	20 Å²	20	62.7 Å²	62.7	9%	0.093	32%	0.317	C	S	.	.	H	α-helix	trans	-60.6	-39.2	172.5	-76.5	-168.5	-166.5	0	0	111.8	R442 M449 F450 Y463 P464 F465	R442-E446 HydrophobicContact CG-CG 4.16Å; R442-E446 WeakPolarHBondContact CG-OE1 3.38Å; R442-E446 IonicContact CZ-OE1 2.96Å; R442-E446 IonicContact NE-OE1 3.24Å; R442-E446 PolarHBondContact NE-OE1 3.47Å; R442-E446 IonicContact NH2-OE1 3.21Å; R442-E446 PolarHBondContact NH2-OE1 3.01Å; R442-E446 VanDerWaalsContact O-CB 3.27Å; R442-E446 WeakPolarHBondContact O-CB 3.47Å; R442-E446 VanDerWaalsContact O-CG 3.29Å; R442-E446 WeakPolarHBondContact O-CG 3.34Å; R442-E446 PolarHBondContact O-N 3.19Å; E446-M449 PolarHBondContact O-N 3.45Å; E446-F450 VanDerWaalsContact O-CB 3.29Å; E446-F450 WeakPolarHBondContact O-CB 3.47Å; E446-F450 PolarHBondContact O-N 2.84Å; E446-Y463 HydrophobicContact CB-CD1 4.24Å; E446-Y463 HydrophobicContact CG-CD1 4.11Å; E446-Y463 WeakPolarHBondContact OE2-CA 3.47Å; E446-P464 WeakPolarHBondContact OE2-CD 3.41Å; E446-P464 VanDerWaalsContact OE2-N 3.15Å; E446-F465 WeakPolarHBondContact OE2-CB 3.37Å; E446-F465 PolarHBondContact OE2-N 3.16Å
447	D	95.1	Very high	85.6	Confident	8 Å²	8	66.2 Å²	66.2	4%	0.043	35%	0.346	C	S	.	.	H	α-helix	trans	-65	-43.6	175.3	-172.6	70.2	0	0	0	112.2	I443 Y444 Y445 F450 N451 N467 P503 K504	I443-D447 PolarHBondContact O-N 2.96Å; Y444-D447 PolarHBondContact O-N 3.5Å; Y445-D447 VanDerWaalsContact C-N 3.29Å; Y445-D447 PolarHBondContact O-N 3.25Å; D447-F450 PolarHBondContact O-N 3.34Å; D447-N451 PolarHBondContact O-N 2.68Å; D447-N451 VanDerWaalsContact O-N 3.08Å; D447-N451 PolarHBondContact O-ND2 2.73Å; D447-N451 PolarHBondContact OD1-ND2 3.08Å; D447-N451 PolarHBondContact OD2-ND2 3.04Å; D447-N467 WeakPolarHBondContact OD1-CA 3.27Å; D447-N467 PolarHBondContact OD1-N 3.38Å; D447-P503 VanDerWaalsContact OD1-CB 3.31Å; D447-P503 WeakPolarHBondContact OD1-CB 3.41Å; D447-K504 WeakPolarHBondContact OD2-CB 3.39Å; D447-K504 PolarHBondContact OD2-N 3.48Å
448	L	94	Very high	83.2	Confident	51 Å²	51	70.9 Å²	70.9	27%	0.267	38%	0.379	S	S	.	.	H	α-helix	trans	-61.2	-46.4	175	-70.2	-176.6	0	0	0	112	Y444 Y445 F450 N451 S452 K504	Y444-L448 HydrophobicContact CD1-CD1 4.08Å; Y444-L448 HydrophobicContact CE1-CD1 3.42Å; Y444-L448 VanDerWaalsContact CE1-CD1 3.42Å; Y444-L448 HydrophobicContact CE1-CG 4.23Å; Y444-L448 HydrophobicContact CE2-CD1 4.43Å; Y444-L448 PolarHBondContact O-N 2.95Å; Y444-L448 VanDerWaalsContact O-N 3.08Å; Y445-L448 HydrophobicContact CD1-CD1 4.26Å; Y445-L448 PolarHBondContact O-N 2.88Å; L448-F450 VanDerWaalsContact C-N 3.33Å; L448-F450 PolarHBondContact O-N 3.41Å; L448-N451 PolarHBondContact O-N 2.98Å; L448-S452 PolarHBondContact O-N 3.13Å; L448-S452 PolarHBondContact O-OG 2.81Å; L448-K504 HydrophobicContact CD2-CD 4.35Å
449	M	92.3	Very high	81.3	Confident	107 Å²	107	65.9 Å²	65.9	53%	0.527	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-40.4	179.6	-70.8	-176.5	84	0	0	111.7	Y445 E446 N451 S452 Y463	Y445-M449 WeakPolarHBondContact O-CB 3.13Å; Y445-M449 VanDerWaalsContact O-CG 3.27Å; Y445-M449 WeakPolarHBondContact O-CG 3.27Å; Y445-M449 PolarHBondContact O-N 2.85Å; E446-M449 PolarHBondContact O-N 3.45Å; M449-N451 VanDerWaalsContact C-N 3.32Å; M449-N451 PolarHBondContact O-N 3.2Å; M449-S452 PolarHBondContact O-N 2.93Å; M449-Y463 HydrophobicContact CB-CD1 4.21Å; M449-Y463 HydrophobicContact CB-CE1 3.69Å; M449-Y463 HydrophobicContact CB-CE2 4.47Å; M449-Y463 HydrophobicContact CE-CE1 3.96Å; M449-Y463 HydrophobicContact CG-CE1 4.38Å; M449-Y463 HydrophobicContact SD-CE1 3.78Å
450	F	89.3	Confident	79.7	Confident	51 Å²	51	66.9 Å²	66.9	22%	0.224	37%	0.366	C	S	.	.	H	α-helix	trans	-62.2	-38.9	175.7	-179.9	-93.9	0	0	0	112.3	E446 D447 L448 Y463 A466	E446-F450 VanDerWaalsContact O-CB 3.29Å; E446-F450 WeakPolarHBondContact O-CB 3.47Å; E446-F450 PolarHBondContact O-N 2.84Å; D447-F450 PolarHBondContact O-N 3.34Å; L448-F450 VanDerWaalsContact C-N 3.33Å; L448-F450 PolarHBondContact O-N 3.41Å; F450-Y463 HydrophobicContact CB-CD2 4.21Å; F450-Y463 HydrophobicContact CB-CG 4.45Å; F450-Y463 HydrophobicContact CD2-CD2 4.29Å; F450-A466 HydrophobicContact CB-CB 3.45Å; F450-A466 VanDerWaalsContact CB-CB 3.45Å; F450-A466 HydrophobicContact CD1-CB 4.08Å; F450-A466 HydrophobicContact CD2-CB 4.01Å; F450-A466 HydrophobicContact CG-CB 3.58Å
451	N	86.9	Confident	78.4	Confident	44 Å²	44	70.7 Å²	70.7	24%	0.235	39%	0.393	C	S	.	.	H	α-helix	trans	-87	-8.3	-177.6	-68.9	-59.9	0	0	0	114.6	D447 L448 M449 G453 K504	D447-N451 PolarHBondContact O-N 2.68Å; D447-N451 VanDerWaalsContact O-N 3.08Å; D447-N451 PolarHBondContact O-ND2 2.73Å; D447-N451 PolarHBondContact OD1-ND2 3.08Å; D447-N451 PolarHBondContact OD2-ND2 3.04Å; L448-N451 PolarHBondContact O-N 2.98Å; M449-N451 VanDerWaalsContact C-N 3.32Å; M449-N451 PolarHBondContact O-N 3.2Å; N451-G453 PolarHBondContact O-N 2.86Å; N451-K504 HydrophobicContact CB-CD 4.16Å
452	S	84.6	Confident	77.8	Confident	80 Å²	80	73.9 Å²	73.9	56%	0.559	40%	0.402	S	S	*	.	S	Bend	trans	-76.1	18.9	-177.9	-63.2	0	0	0	0	115.1	L448 M449 N454	L448-S452 PolarHBondContact O-N 3.13Å; L448-S452 PolarHBondContact O-OG 2.81Å; M449-S452 PolarHBondContact O-N 2.93Å; S452-N454 PolarHBondContact O-N 3.09Å
453	G	66.5	Low	77.5	Confident	68 Å²	68	71.2 Å²	71.2	70%	0.701	39%	0.392	S	S	*	.	S	Bend	trans	76	-18.3	164.5	0	0	0	0	0	117.5	N451 M455	N451-G453 PolarHBondContact O-N 2.86Å; G453-M455 PolarHBondContact O-N 3.1Å
454	N	56.3	Low	77.2	Confident	161 Å²	161	71 Å²	71	86%	0.861	39%	0.391	S	S	*	.			trans	-82.8	3.9	-172.1	-78.4	-13.9	0	0	0	116	S452	S452-N454 PolarHBondContact O-N 3.09Å
455	M	51.8	Low	77.1	Confident	85 Å²	85	68.6 Å²	68.6	42%	0.419	38%	0.382	S	S	.	.	S	Bend	trans	-138.1	132.2	-174.3	-56	-164.7	91.8	0	0	115	G453 S459 R462 Y463	G453-M455 PolarHBondContact O-N 3.1Å; M455-S459 WeakPolarHBondContact CB-OG 3.09Å; M455-R462 VanDerWaalsContact CE-CZ 3.44Å; M455-Y463 HydrophobicContact SD-CE2 3.71Å; M455-Y463 PolarHBondContact SD-OH 3.02Å
456	K	49.4	Very low	77	Confident	188 Å²	188	63.2 Å²	63.2	82%	0.817	36%	0.362	S	S	*	.			trans	-65.9	157.2	175.9	-68.5	178.9	179.8	173.7	0	112	S458 S459	K456-S458 PolarHBondContact O-N 2.99Å; K456-S459 PolarHBondContact O-N 3.47Å; K456-S459 PolarHBondContact O-OG 2.91Å; K456-S459 VanDerWaalsContact O-OG 3.08Å
457	A	50.7	Low	76.9	Confident	75 Å²	75	63 Å²	63	62%	0.62	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-50.7	-11.4	-176.2	0	0	0	0	0	117.9	S459	A457-S459 PolarHBondContact O-N 3.13Å
458	S	49.6	Very low	77.1	Confident	103 Å²	103	62.8 Å²	62.8	72%	0.72	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-70	-1.9	172.3	-171.8	0	0	0	0	113.8	K456	K456-S458 PolarHBondContact O-N 2.99Å
459	S	58.2	Low	77.3	Confident	5 Å²	5	60.5 Å²	60.5	4%	0.035	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-84.6	-0.6	-174.2	-62.6	0	0	0	0	116.1	M455 K456 A457 S461 R462 Y463	M455-S459 WeakPolarHBondContact CB-OG 3.09Å; K456-S459 PolarHBondContact O-N 3.47Å; K456-S459 PolarHBondContact O-OG 2.91Å; K456-S459 VanDerWaalsContact O-OG 3.08Å; A457-S459 PolarHBondContact O-N 3.13Å; S459-S461 PolarHBondContact O-N 3.01Å; S459-S461 VanDerWaalsContact O-N 3.14Å; S459-R462 PolarHBondContact O-N 3.14Å; S459-R462 PolarHBondContact OG-NH1 3.32Å; S459-R462 VanDerWaalsContact OG-NH1 3.09Å; S459-Y463 PolarHBondContact O-N 3.32Å; S459-Y463 VanDerWaalsContact O-N 3.15Å
460	S	64.1	Low	77.6	Confident	33 Å²	33	55.4 Å²	55.4	23%	0.231	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-58.4	-27	178.5	-76.2	0	0	0	0	113	S408	S408-S460 WeakPolarHBondContact CB-O 3.46Å
461	S	72.5	Confident	78.1	Confident	83 Å²	83	53.3 Å²	53.3	58%	0.58	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-75.3	-23.3	172.4	56.7	0	0	0	0	114.2	S459	S459-S461 PolarHBondContact O-N 3.01Å; S459-S461 VanDerWaalsContact O-N 3.14Å
462	R	84.8	Confident	78.6	Confident	132 Å²	132	51.2 Å²	51.2	50%	0.498	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-32.1	-179.6	-172.6	179.8	-65.3	99.7	0.1	112.5	M455 S459 P464	M455-R462 VanDerWaalsContact CE-CZ 3.44Å; S459-R462 PolarHBondContact O-N 3.14Å; S459-R462 PolarHBondContact OG-NH1 3.32Å; S459-R462 VanDerWaalsContact OG-NH1 3.09Å; R462-P464 VanDerWaalsContact C-CD 3.45Å; R462-P464 WeakPolarHBondContact O-CD 3.5Å
463	Y	91.8	Very high	79.3	Confident	25 Å²	25	47.5 Å²	47.5	10%	0.098	28%	0.277	C	S	.	.			trans	-124.6	66.8	179.9	-52.5	-63.8	0	0	0	109.6	E446 M449 F450 M455 S459 F465 A466	E446-Y463 HydrophobicContact CB-CD1 4.24Å; E446-Y463 HydrophobicContact CG-CD1 4.11Å; E446-Y463 WeakPolarHBondContact OE2-CA 3.47Å; M449-Y463 HydrophobicContact CB-CD1 4.21Å; M449-Y463 HydrophobicContact CB-CE1 3.69Å; M449-Y463 HydrophobicContact CB-CE2 4.47Å; M449-Y463 HydrophobicContact CE-CE1 3.96Å; M449-Y463 HydrophobicContact CG-CE1 4.38Å; M449-Y463 HydrophobicContact SD-CE1 3.78Å; F450-Y463 HydrophobicContact CB-CD2 4.21Å; F450-Y463 HydrophobicContact CB-CG 4.45Å; F450-Y463 HydrophobicContact CD2-CD2 4.29Å; M455-Y463 HydrophobicContact SD-CE2 3.71Å; M455-Y463 PolarHBondContact SD-OH 3.02Å; S459-Y463 PolarHBondContact O-N 3.32Å; S459-Y463 VanDerWaalsContact O-N 3.15Å; Y463-F465 PolarHBondContact O-N 3.02Å; Y463-A466 WeakPolarHBondContact O-CB 3.33Å; Y463-A466 PolarHBondContact O-N 2.91Å; Y463-A466 VanDerWaalsContact O-N 3.09Å
464	P	92.6	Very high	80.8	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.013	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.2	-173.9	27	-39.3	0	0	0	113.5	F404 E405 R412 E446 R462	F404-P464 HydrophobicContact CB-CB 4.31Å; E405-P464 HydrophobicContact CG-CB 3.83Å; E405-P464 HydrophobicContact CG-CG 3.67Å; R412-P464 PolarHBondContact NH2-O 3.28Å; E446-P464 WeakPolarHBondContact OE2-CD 3.41Å; E446-P464 VanDerWaalsContact OE2-N 3.15Å; R462-P464 VanDerWaalsContact C-CD 3.45Å; R462-P464 WeakPolarHBondContact O-CD 3.5Å
465	F	96.4	Very high	82.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.2	-179.7	-69.1	-77.6	0	0	0	114.3	T401 F404 L439 R442 I443 E446 Y463 T468	T401-F465 HydrophobicContact CG2-CE2 4.49Å; F404-F465 HydrophobicContact CB-CD1 4.26Å; F404-F465 HydrophobicContact CB-CE1 3.85Å; F404-F465 HydrophobicContact CB-CE2 4.38Å; F404-F465 HydrophobicContact CB-CZ 3.92Å; F404-F465 AromaticContact CD1-CD1 3.43Å; F404-F465 HydrophobicContact CD1-CD1 3.43Å; F404-F465 VanDerWaalsContact CD1-CD1 3.43Å; F404-F465 AromaticContact CD1-CE1 3.65Å; F404-F465 HydrophobicContact CD1-CE1 3.65Å; F404-F465 HydrophobicContact CD1-CG 4.18Å; F404-F465 HydrophobicContact CD2-CD1 4.48Å; F404-F465 AromaticContact CD2-CE1 3.88Å; F404-F465 HydrophobicContact CD2-CE1 3.88Å; F404-F465 AromaticContact CE1-CD1 3.82Å; F404-F465 HydrophobicContact CE1-CD1 3.82Å; F404-F465 HydrophobicContact CE1-CE1 4.15Å; F404-F465 HydrophobicContact CE2-CE1 4.38Å; F404-F465 AromaticContact CG-CD1 3.81Å; F404-F465 HydrophobicContact CG-CD1 3.81Å; F404-F465 AromaticContact CG-CE1 3.5Å; F404-F465 HydrophobicContact CG-CE1 3.5Å; F404-F465 HydrophobicContact CG-CZ 4.1Å; F404-F465 HydrophobicContact CZ-CE1 4.49Å; L439-F465 HydrophobicContact CD1-CE1 4.22Å; L439-F465 HydrophobicContact CD1-CZ 4Å; R442-F465 HydrophobicContact CG-CD2 4.32Å; R442-F465 VanDerWaalsContact CZ-CE2 3.47Å; I443-F465 HydrophobicContact CB-CB 4.28Å; I443-F465 HydrophobicContact CD1-CD1 4.2Å; I443-F465 HydrophobicContact CG1-CB 3.86Å; I443-F465 HydrophobicContact CG1-CD1 3.62Å; I443-F465 HydrophobicContact CG1-CE1 4.3Å; I443-F465 HydrophobicContact CG1-CG 3.8Å; I443-F465 HydrophobicContact CG2-CB 4.44Å; E446-F465 WeakPolarHBondContact OE2-CB 3.37Å; E446-F465 PolarHBondContact OE2-N 3.16Å; Y463-F465 PolarHBondContact O-N 3.02Å; F465-T468 VanDerWaalsContact O-CB 3.25Å; F465-T468 WeakPolarHBondContact O-CB 3.43Å; F465-T468 PolarHBondContact O-N 3.36Å; F465-T468 PolarHBondContact O-OG1 3.37Å
466	A	93.9	Very high	84.8	Confident	6 Å²	6	32.7 Å²	32.7	5%	0.05	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	147.4	174.8	0	0	0	0	0	111.4	N235 F450 Y463 T468	N235-A466 PolarHBondContact ND2-O 3.42Å; F450-A466 HydrophobicContact CB-CB 3.45Å; F450-A466 VanDerWaalsContact CB-CB 3.45Å; F450-A466 HydrophobicContact CD1-CB 4.08Å; F450-A466 HydrophobicContact CD2-CB 4.01Å; F450-A466 HydrophobicContact CG-CB 3.58Å; Y463-A466 WeakPolarHBondContact O-CB 3.33Å; Y463-A466 PolarHBondContact O-N 2.91Å; Y463-A466 VanDerWaalsContact O-N 3.09Å; A466-T468 PolarHBondContact O-N 3.45Å
467	N	94.8	Very high	86.9	Confident	17 Å²	17	23.7 Å²	23.7	9%	0.091	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	36.9	-178.5	-157.3	47.9	0	0	0	114.6	M233 Y234 N235 D447 M505	M233-N467 PolarHBondContact O-ND2 2.95Å; Y234-N467 WeakPolarHBondContact CA-O 3.45Å; Y234-N467 VanDerWaalsContact CD1-CG 3.48Å; Y234-N467 WeakPolarHBondContact CD1-OD1 3.23Å; Y234-N467 WeakPolarHBondContact CE1-OD1 3.19Å; N235-N467 PolarHBondContact N-O 2.86Å; N235-N467 PolarHBondContact ND2-O 3.24Å; D447-N467 WeakPolarHBondContact OD1-CA 3.27Å; D447-N467 PolarHBondContact OD1-N 3.38Å; N467-M505 HydrophobicContact CB-CE 4.39Å; N467-M505 WeakPolarHBondContact ND2-CE 3.09Å; N467-M505 WeakPolarHBondContact OD1-CE 3.36Å
468	T	98.2	Very high	88.4	Confident	3 Å²	3	21.3 Å²	21.3	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.7	179.4	-55.8	0	0	0	0	111.5	N235 L237 F404 F465 A466 V470 P503	N235-T468 HydrophobicContact CB-CG2 4.06Å; N235-T468 PolarHBondContact ND2-OG1 2.8Å; N235-T468 CarbonylContact O-C 3.45Å; N235-T468 WeakPolarHBondContact O-CA 3.45Å; L237-T468 HydrophobicContact CB-CG2 3.78Å; F404-T468 HydrophobicContact CE1-CG2 4.02Å; F404-T468 HydrophobicContact CZ-CG2 4.23Å; F465-T468 VanDerWaalsContact O-CB 3.25Å; F465-T468 WeakPolarHBondContact O-CB 3.43Å; F465-T468 PolarHBondContact O-N 3.36Å; F465-T468 PolarHBondContact O-OG1 3.37Å; A466-T468 PolarHBondContact O-N 3.45Å; T468-V470 HydrophobicContact CG2-CG2 3.98Å; T468-P503 WeakPolarHBondContact O-CD 3.39Å
469	L	98.7	Very high	89.5	Confident	2 Å²	2	18 Å²	18	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	116.4	164.4	179.8	67.5	0	0	0	108.3	N235 I236 L237 I500 A502 L537	N235-L469 PolarHBondContact O-N 3.3Å; I236-L469 HydrophobicContact CD1-CB 4.29Å; I236-L469 HydrophobicContact CD1-CD2 4.27Å; L237-L469 PolarHBondContact N-O 3.36Å; L469-I500 HydrophobicContact CD1-CG2 3.84Å; L469-A502 HydrophobicContact CD1-CB 4.29Å; L469-L537 HydrophobicContact CD2-CD2 3.66Å
470	V	98.9	Very high	89.8	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.1	179.2	-172	0	0	0	0	109.2	L237 I440 I443 T468 I500 I501	L237-V470 HydrophobicContact CB-CG1 4.46Å; L237-V470 HydrophobicContact CB-CG2 4.38Å; L237-V470 HydrophobicContact CD2-CG1 4.19Å; L237-V470 HydrophobicContact CD2-CG2 4.31Å; L237-V470 HydrophobicContact CG-CG1 4.25Å; L237-V470 CarbonylContact O-C 3.41Å; L237-V470 WeakPolarHBondContact O-CA 3.34Å; I440-V470 HydrophobicContact CD1-CG1 4.14Å; I443-V470 HydrophobicContact CD1-CG2 3.97Å; I443-V470 HydrophobicContact CG2-CG2 3.89Å; T468-V470 HydrophobicContact CG2-CG2 3.98Å; V470-I500 CarbonylContact O-C 3.58Å; V470-I500 WeakPolarHBondContact O-CA 3.36Å; V470-I501 HydrophobicContact CB-CB 4.05Å; V470-I501 HydrophobicContact CB-CD1 4.27Å; V470-I501 HydrophobicContact CB-CG1 4.33Å; V470-I501 HydrophobicContact CG1-CD1 4.42Å; V470-I501 PolarHBondContact N-O 3.45Å; V470-I501 PolarHBondContact O-N 3.03Å
471	I	98.9	Very high	89.7	Confident	7 Å²	7	22.6 Å²	22.6	4%	0.036	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	102.3	164.8	-54.7	-165.1	0	0	0	106	L237 L238 L239 F473 M498 S499 I500 I530	L237-I471 PolarHBondContact O-N 3.44Å; L238-I471 HydrophobicContact CD2-CB 3.95Å; L238-I471 HydrophobicContact CD2-CD1 4.2Å; L238-I471 HydrophobicContact CD2-CG1 4.21Å; L239-I471 PolarHBondContact N-O 2.88Å; I471-F473 HydrophobicContact CG2-CB 4.25Å; I471-F473 HydrophobicContact CG2-CD1 4.18Å; I471-F473 HydrophobicContact CG2-CG 4.46Å; I471-M498 HydrophobicContact CG2-CG 4.44Å; I471-S499 WeakPolarHBondContact CA-O 3.07Å; I471-I500 HydrophobicContact CG1-CG1 4.44Å; I471-I530 HydrophobicContact CD1-CD1 4.3Å; I471-I530 HydrophobicContact CD1-CG2 3.43Å; I471-I530 VanDerWaalsContact CD1-CG2 3.43Å
472	L	98.8	Very high	89.1	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	112.5	174	171.6	62.9	0	0	0	107	L239 I241 T256 L260 L436 F497 M498 S499	L239-L472 HydrophobicContact CB-CD1 4.22Å; L239-L472 HydrophobicContact CD2-CD1 4.05Å; L239-L472 HydrophobicContact CG-CD1 3.92Å; L239-L472 WeakPolarHBondContact O-CA 3.34Å; L239-L472 WeakPolarHBondContact O-CD1 3.1Å; I241-L472 HydrophobicContact CD1-CD1 3.95Å; I241-L472 HydrophobicContact CG1-CD1 4.3Å; T256-L472 HydrophobicContact CG2-CD2 4.05Å; L260-L472 HydrophobicContact CD1-CD2 4.44Å; L436-L472 HydrophobicContact CD1-CD1 4.09Å; L436-L472 HydrophobicContact CD2-CD1 4.32Å; L436-L472 HydrophobicContact CD2-CD2 4.33Å; L472-F497 HydrophobicContact CD2-CE1 3.82Å; L472-F497 HydrophobicContact CG-CD1 4.48Å; L472-F497 HydrophobicContact CG-CE1 3.9Å; L472-M498 CarbonylContact O-C 3.59Å; L472-M498 WeakPolarHBondContact O-CA 3.35Å; L472-S499 PolarHBondContact N-O 3.17Å; L472-S499 PolarHBondContact O-N 3.37Å
473	F	98.7	Very high	88.1	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	166	-169.9	75.1	-72.5	0	0	0	112.3	L238 L239 G240 I241 L284 L287 L415 F417 I471 F497 M498 L527	L238-F473 HydrophobicContact CB-CE1 4.09Å; L239-F473 PolarHBondContact O-N 3.05Å; G240-F473 CarbonylContact C-O 3.46Å; G240-F473 VanDerWaalsContact CA-O 3.24Å; G240-F473 WeakPolarHBondContact CA-O 3.46Å; I241-F473 PolarHBondContact N-O 3.33Å; L284-F473 HydrophobicContact CD2-CE2 3.63Å; L284-F473 HydrophobicContact CD2-CZ 3.71Å; L287-F473 HydrophobicContact CD2-CE1 4.19Å; L287-F473 HydrophobicContact CD2-CE2 3.94Å; L287-F473 HydrophobicContact CD2-CZ 3.54Å; L415-F473 HydrophobicContact CD1-CE1 4.47Å; L415-F473 HydrophobicContact CD1-CZ 4.33Å; F417-F473 HydrophobicContact CD2-CZ 4.44Å; F417-F473 HydrophobicContact CE2-CE2 4.33Å; F417-F473 HydrophobicContact CE2-CZ 4.21Å; I471-F473 HydrophobicContact CG2-CB 4.25Å; I471-F473 HydrophobicContact CG2-CD1 4.18Å; I471-F473 HydrophobicContact CG2-CG 4.46Å; F473-F497 CarbonylContact C-O 3.59Å; F473-F497 WeakPolarHBondContact CA-O 3.44Å; F473-M498 HydrophobicContact CB-CB 4.21Å; F473-M498 HydrophobicContact CB-CE 3.88Å; F473-M498 HydrophobicContact CB-CG 4.12Å; F473-L527 HydrophobicContact CD2-CD1 4.46Å; F473-L527 HydrophobicContact CD2-CD2 3.83Å; F473-L527 HydrophobicContact CE2-CD1 4.24Å; F473-L527 HydrophobicContact CE2-CD2 4.05Å
474	S	98.3	Very high	87	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.7	166.9	-166.3	0	0	0	0	109.5	I241 I244 Y273 H476 F497	I241-S474 VanDerWaalsContact O-CA 3.23Å; I241-S474 WeakPolarHBondContact O-CA 3.41Å; I241-S474 VanDerWaalsContact O-CB 3.22Å; I241-S474 WeakPolarHBondContact O-CB 3.47Å; I241-S474 PolarHBondContact O-OG 3.34Å; I244-S474 PolarHBondContact N-OG 2.78Å; I244-S474 VanDerWaalsContact O-CB 3.29Å; I244-S474 WeakPolarHBondContact O-CB 3.2Å; I244-S474 PolarHBondContact O-OG 3.33Å; Y273-S474 VanDerWaalsContact CE1-O 3.25Å; Y273-S474 WeakPolarHBondContact CE1-O 3.02Å; Y273-S474 PolarHBondContact OH-O 3.03Å; S474-H476 PolarHBondContact OG-O 2.91Å; S474-F497 PolarHBondContact N-O 2.78Å
475	D	96.5	Very high	85.7	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-70.5	-37	175.6	58.4	-29.7	0	0	0	112.1	D242 V275 T280 N283 F417	D242-D475 WeakPolarHBondContact CA-OD1 3.34Å; D242-D475 WeakPolarHBondContact CB-OD1 3.36Å; V275-D475 WeakPolarHBondContact CG1-O 3.43Å; T280-D475 WeakPolarHBondContact CA-OD2 2.99Å; T280-D475 WeakPolarHBondContact CB-OD2 3.42Å; T280-D475 HydrophobicContact CG2-CB 4.34Å; T280-D475 VanDerWaalsContact CG2-OD2 3.32Å; T280-D475 WeakPolarHBondContact CG2-OD2 3.42Å; T280-D475 PolarHBondContact OG1-OD2 3.24Å; N283-D475 HydrophobicContact CB-CB 4.21Å; N283-D475 VanDerWaalsContact CG-O 3.24Å; N283-D475 PolarHBondContact ND2-O 3.27Å; F417-D475 HydrophobicContact CE2-CB 4.44Å; F417-D475 HydrophobicContact CZ-CB 3.91Å
476	H	95.5	Very high	84.3	Confident	3 Å²	3	30.4 Å²	30.4	1%	0.014	19%	0.185	C	C	.	.	S	Bend	trans	-158	172.5	172.2	51.8	73.4	0	0	0	111.2	D242 S243 I244 V275 G279 S474 R479	D242-H476 IonicContact OD1-CE1 3.54Å; D242-H476 PolarHBondContact OD1-CE1 3.25Å; D242-H476 IonicContact OD1-NE2 3.85Å; S243-H476 WeakPolarHBondContact CB-CE1 3.46Å; S243-H476 WeakPolarHBondContact CB-ND1 3.3Å; S243-H476 WeakPolarHBondContact CB-O 3.34Å; S243-H476 PolarHBondContact OG-CE1 2.87Å; S243-H476 PolarHBondContact OG-ND1 3.1Å; I244-H476 PolarHBondContact N-O 2.81Å; V275-H476 HydrophobicContact CG1-CB 3.78Å; G279-H476 VanDerWaalsContact C-CD2 3.41Å; G279-H476 WeakPolarHBondContact CA-CD2 3.49Å; G279-H476 WeakPolarHBondContact CA-NE2 3.36Å; S474-H476 PolarHBondContact OG-O 2.91Å; H476-R479 WeakPolarHBondContact CE1-CD 2.86Å; H476-R479 WeakPolarHBondContact ND1-CD 3.48Å; H476-R479 WeakPolarHBondContact NE2-CD 3.44Å
477	G	92.5	Very high	83.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-80.3	-171.6	168.3	0	0	0	0	0	113.2	S243 R479 E492 E493	S243-G477 WeakPolarHBondContact CB-O 3.07Å; G477-R479 PolarHBondContact O-N 2.87Å; G477-E492 WeakPolarHBondContact CA-O 3.34Å; G477-E493 PolarHBondContact N-O 3.44Å
478	P	82.9	Confident	82.5	Confident	25 Å²	25	33 Å²	33	16%	0.162	20%	0.199	C	C	.	.			trans	-59.7	128.6	-179	-22.7	33.7	0	0	0	112.2	P426	P426-P478 HydrophobicContact CB-CG 4.11Å; P426-P478 HydrophobicContact CG-CB 4.3Å; P426-P478 HydrophobicContact CG-CG 3.81Å
479	R	72.5	Confident	81.6	Confident	33 Å²	33	33.5 Å²	33.5	13%	0.125	20%	0.204	C	C	.	.			trans	-111.1	-0.6	179.6	-65.5	176.4	61.6	73.8	17.7	114.1	D278 H476 G477 R484 E493	D278-R479 VanDerWaalsContact CG-CZ 3.46Å; D278-R479 IonicContact OD1-CZ 3.78Å; D278-R479 IonicContact OD1-NE 2.66Å; D278-R479 IonicContact OD1-NH1 3.68Å; D278-R479 PolarHBondContact OD1-NH1 3.27Å; D278-R479 IonicContact OD1-NH2 3.26Å; D278-R479 PolarHBondContact OD1-NH2 3.35Å; D278-R479 IonicContact OD2-CZ 2.8Å; D278-R479 IonicContact OD2-NH1 3.69Å; D278-R479 IonicContact OD2-NH2 3.68Å; D278-R479 PolarHBondContact OD2-NH2 3.33Å; H476-R479 WeakPolarHBondContact CE1-CD 2.86Å; H476-R479 WeakPolarHBondContact ND1-CD 3.48Å; H476-R479 WeakPolarHBondContact NE2-CD 3.44Å; G477-R479 PolarHBondContact O-N 2.87Å; R479-R484 WeakPolarHBondContact O-CD 3.48Å; R479-E493 HydrophobicContact CG-CG 3.97Å; R479-E493 IonicContact CZ-OE1 3.5Å; R479-E493 IonicContact NH1-OE1 3.66Å; R479-E493 PolarHBondContact NH1-OE1 2.91Å; R479-E493 IonicContact NH2-OE1 2.79Å
480	M	64.7	Low	80.9	Confident	77 Å²	77	34.1 Å²	34.1	38%	0.379	21%	0.207	S	C	.	.	S	Bend	trans	-114.1	150.7	-174.1	-58.2	-52.2	178.2	0	0	112.1	H423	H423-M480 WeakPolarHBondContact CE1-CE 3.33Å
481	G	62.6	Low	80.4	Confident	57 Å²	57	34.3 Å²	34.3	59%	0.588	21%	0.208	S	C	*	.	S	Bend	trans	80.2	168	178	0	0	0	0	0	115.5	A483 R484	G481-A483 PolarHBondContact O-N 3.3Å; G481-A483 VanDerWaalsContact O-N 3.15Å; G481-R484 WeakPolarHBondContact O-CB 3.46Å; G481-R484 PolarHBondContact O-N 3.3Å; G481-R484 VanDerWaalsContact O-N 3.14Å
482	D	59.4	Low	80	Confident	143 Å²	143	34.6 Å²	34.6	77%	0.765	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-63	-24.9	-172.1	-57.5	-28.7	0	0	0	113.5	R484 L485	D482-R484 PolarHBondContact O-N 2.94Å; D482-R484 VanDerWaalsContact O-N 3.11Å; D482-L485 PolarHBondContact O-N 3.22Å
483	A	63.6	Low	79.7	Confident	70 Å²	70	34.7 Å²	34.7	58%	0.579	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-55.6	-30.4	176.9	0	0	0	0	0	112.2	G481 L485 S486 G489	G481-A483 PolarHBondContact O-N 3.3Å; G481-A483 VanDerWaalsContact O-N 3.15Å; A483-L485 PolarHBondContact O-N 2.93Å; A483-S486 WeakPolarHBondContact O-CB 3.43Å; A483-S486 PolarHBondContact O-N 2.85Å; A483-S486 VanDerWaalsContact O-N 3.15Å; A483-S486 PolarHBondContact O-OG 3.04Å; A483-G489 WeakPolarHBondContact O-CA 3.47Å
484	R	67.9	Low	79.5	Confident	34 Å²	34	34.6 Å²	34.6	13%	0.128	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-60.6	-27.5	177.1	178	170.1	-178.1	-105.8	-0.7	113.9	R479 G481 D482 S486 K490 E493 I673	R479-R484 WeakPolarHBondContact O-CD 3.48Å; G481-R484 WeakPolarHBondContact O-CB 3.46Å; G481-R484 PolarHBondContact O-N 3.3Å; G481-R484 VanDerWaalsContact O-N 3.14Å; D482-R484 PolarHBondContact O-N 2.94Å; D482-R484 VanDerWaalsContact O-N 3.11Å; R484-S486 VanDerWaalsContact C-N 3.31Å; R484-K490 VanDerWaalsContact O-CG 3.28Å; R484-K490 WeakPolarHBondContact O-CG 3.37Å; R484-E493 IonicContact CZ-OE1 2.67Å; R484-E493 IonicContact NE-OE1 2.79Å; R484-E493 PolarHBondContact NE-OE1 3.48Å; R484-E493 VanDerWaalsContact NE-OE1 3.15Å; R484-E493 IonicContact NE-OE2 3.28Å; R484-E493 IonicContact NH2-OE1 3.88Å; R484-E493 PolarHBondContact NH2-OE1 3.19Å; R484-I673 PolarHBondContact NH1-O 3.32Å; R484-I673 PolarHBondContact NH2-O 2.86Å
485	L	65.6	Low	79.4	Confident	104 Å²	104	34.7 Å²	34.7	55%	0.545	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-76.6	-22	179.6	-61.7	177.6	0	0	0	112.2	D482 A483 K490 I673	D482-L485 PolarHBondContact O-N 3.22Å; A483-L485 PolarHBondContact O-N 2.93Å; L485-K490 WeakPolarHBondContact O-CE 3.25Å; L485-I673 HydrophobicContact CD2-CG2 4.44Å
486	S	68.4	Low	79.5	Confident	56 Å²	56	34.8 Å²	34.8	39%	0.392	21%	0.21	S	C	.	.	S	Bend	trans	-69.2	152	174.8	76.6	0	0	0	0	111.8	A483 R484 Q488 G489 K490	A483-S486 WeakPolarHBondContact O-CB 3.43Å; A483-S486 PolarHBondContact O-N 2.85Å; A483-S486 VanDerWaalsContact O-N 3.15Å; A483-S486 PolarHBondContact O-OG 3.04Å; R484-S486 VanDerWaalsContact C-N 3.31Å; S486-Q488 VanDerWaalsContact C-N 3.28Å; S486-Q488 PolarHBondContact O-N 2.95Å; S486-G489 PolarHBondContact O-N 3.3Å; S486-G489 VanDerWaalsContact O-N 3.09Å; S486-G489 PolarHBondContact OG-N 3.47Å; S486-K490 WeakPolarHBondContact O-CG 3.31Å; S486-K490 PolarHBondContact O-N 2.89Å
487	V	72.6	Confident	79.6	Confident	49 Å²	49	34.7 Å²	34.7	30%	0.297	21%	0.21	S	C	.	.	H	α-helix	trans	-54.2	-44.9	174.1	169.7	0	0	0	0	111.7	G489 K490 L491 L665	V487-G489 PolarHBondContact O-N 2.89Å; V487-K490 PolarHBondContact O-N 3.41Å; V487-L491 HydrophobicContact CG1-CD1 3.96Å; V487-L491 WeakPolarHBondContact O-CG 3.29Å; V487-L491 PolarHBondContact O-N 3.47Å; V487-L665 HydrophobicContact CB-CD1 4.42Å; V487-L665 HydrophobicContact CG1-CD1 3.44Å; V487-L665 VanDerWaalsContact CG1-CD1 3.44Å; V487-L665 HydrophobicContact CG1-CD2 4.39Å; V487-L665 HydrophobicContact CG2-CD1 4.06Å
488	Q	77	Confident	79.9	Confident	29 Å²	29	34.7 Å²	34.7	14%	0.136	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-41.1	178	178.4	164.3	-20	0	0	111.4	N73 S486 L491 E492	N73-Q488 PolarHBondContact O-NE2 2.91Å; S486-Q488 VanDerWaalsContact C-N 3.28Å; S486-Q488 PolarHBondContact O-N 2.95Å; Q488-L491 PolarHBondContact O-N 3.3Å; Q488-E492 HydrophobicContact CG-CG 4.22Å; Q488-E492 PolarHBondContact NE2-OE1 3.48Å; Q488-E492 WeakPolarHBondContact O-CB 3.22Å; Q488-E492 WeakPolarHBondContact O-CG 3.23Å; Q488-E492 PolarHBondContact O-N 3.22Å
489	G	80	Confident	80.7	Confident	12 Å²	12	33.5 Å²	33.5	12%	0.124	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-44.9	175.1	0	0	0	0	0	112.7	A483 S486 V487 L491 E492 E493	A483-G489 WeakPolarHBondContact O-CA 3.47Å; S486-G489 PolarHBondContact O-N 3.3Å; S486-G489 VanDerWaalsContact O-N 3.09Å; S486-G489 PolarHBondContact OG-N 3.47Å; V487-G489 PolarHBondContact O-N 2.89Å; G489-L491 VanDerWaalsContact C-N 3.33Å; G489-L491 PolarHBondContact O-N 2.85Å; G489-E492 PolarHBondContact O-N 3.1Å; G489-E493 WeakPolarHBondContact O-CB 3.38Å; G489-E493 PolarHBondContact O-N 3.02Å
490	K	83.8	Confident	81.9	Confident	16 Å²	16	32 Å²	32	7%	0.07	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-40.3	176.5	-65.2	173.6	-173.3	-115.5	0	112.3	R484 L485 S486 V487 R494 M669 V670 F672	R484-K490 VanDerWaalsContact O-CG 3.28Å; R484-K490 WeakPolarHBondContact O-CG 3.37Å; L485-K490 WeakPolarHBondContact O-CE 3.25Å; S486-K490 WeakPolarHBondContact O-CG 3.31Å; S486-K490 PolarHBondContact O-N 2.89Å; V487-K490 PolarHBondContact O-N 3.41Å; K490-R494 WeakPolarHBondContact O-CD 3.38Å; K490-R494 PolarHBondContact O-N 2.92Å; K490-R494 PolarHBondContact O-NH1 2.77Å; K490-M669 HydrophobicContact CB-SD 3.6Å; K490-M669 VanDerWaalsContact CB-SD 3.6Å; K490-M669 HydrophobicContact CD-SD 4.18Å; K490-M669 HydrophobicContact CG-SD 4.49Å; K490-V670 PolarHBondContact NZ-O 3.14Å; K490-F672 PolarHBondContact NZ-O 2.85Å
491	L	89.3	Confident	83.5	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-67.7	-45.5	175.1	-68.8	162.4	0	0	0	111.6	P70 M72 V487 Q488 G489 E493 R494 L495 V607 M669	P70-L491 HydrophobicContact CG-CD1 3.38Å; P70-L491 HydrophobicContact CG-CD2 3.85Å; P70-L491 HydrophobicContact CG-CG 4.27Å; M72-L491 HydrophobicContact CG-CD1 4.16Å; M72-L491 HydrophobicContact SD-CB 3.65Å; M72-L491 HydrophobicContact SD-CD1 4.19Å; V487-L491 HydrophobicContact CG1-CD1 3.96Å; V487-L491 WeakPolarHBondContact O-CG 3.29Å; V487-L491 PolarHBondContact O-N 3.47Å; Q488-L491 PolarHBondContact O-N 3.3Å; G489-L491 VanDerWaalsContact C-N 3.33Å; G489-L491 PolarHBondContact O-N 2.85Å; L491-E493 VanDerWaalsContact C-N 3.33Å; L491-E493 PolarHBondContact O-N 2.96Å; L491-R494 CarbonylContact O-C 3.57Å; L491-R494 PolarHBondContact O-N 3.42Å; L491-R494 VanDerWaalsContact O-N 3.11Å; L491-L495 WeakPolarHBondContact O-CB 3.22Å; L491-L495 WeakPolarHBondContact O-CG 3.03Å; L491-L495 PolarHBondContact O-N 3.03Å; L491-V607 HydrophobicContact CD2-CB 4.11Å; L491-V607 HydrophobicContact CD2-CG1 4.13Å; L491-M669 HydrophobicContact CD2-CE 3.9Å; L491-M669 HydrophobicContact CG-CE 4.33Å
492	E	90.3	Very high	85.3	Confident	13 Å²	13	26.1 Å²	26.1	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-36.7	179.1	-76.7	-159.9	-144.9	0	0	112.1	S245 L247 S248 R251 G477 Q488 G489 R494 L495	S245-E492 WeakPolarHBondContact CB-O 3.47Å; S245-E492 WeakPolarHBondContact CB-OE2 3.34Å; S245-E492 PolarHBondContact OG-OE2 3.48Å; L247-E492 HydrophobicContact CD1-CG 4.34Å; S248-E492 PolarHBondContact OG-OE2 2.87Å; R251-E492 IonicContact CZ-OE1 3.08Å; R251-E492 IonicContact CZ-OE2 3.61Å; R251-E492 IonicContact NH1-OE1 2.65Å; R251-E492 PolarHBondContact NH1-OE1 3.17Å; R251-E492 VanDerWaalsContact NH1-OE1 3.08Å; R251-E492 IonicContact NH1-OE2 2.74Å; R251-E492 IonicContact NH2-OE1 2.86Å; R251-E492 PolarHBondContact NH2-OE1 3.43Å; R251-E492 IonicContact NH2-OE2 3.52Å; R251-E492 PolarHBondContact NH2-OE2 2.84Å; G477-E492 WeakPolarHBondContact CA-O 3.34Å; Q488-E492 HydrophobicContact CG-CG 4.22Å; Q488-E492 PolarHBondContact NE2-OE1 3.48Å; Q488-E492 WeakPolarHBondContact O-CB 3.22Å; Q488-E492 WeakPolarHBondContact O-CG 3.23Å; Q488-E492 PolarHBondContact O-N 3.22Å; G489-E492 PolarHBondContact O-N 3.1Å; E492-R494 VanDerWaalsContact C-N 3.26Å; E492-R494 PolarHBondContact O-N 3.2Å; E492-L495 PolarHBondContact O-N 3.02Å
493	E	91.7	Very high	87.1	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-56.6	-40.2	171.1	-179	-177	-162.2	0	0	111.7	G477 R479 R484 G489 L491 W605	G477-E493 PolarHBondContact N-O 3.44Å; R479-E493 HydrophobicContact CG-CG 3.97Å; R479-E493 IonicContact CZ-OE1 3.5Å; R479-E493 IonicContact NH1-OE1 3.66Å; R479-E493 PolarHBondContact NH1-OE1 2.91Å; R479-E493 IonicContact NH2-OE1 2.79Å; R484-E493 IonicContact CZ-OE1 2.67Å; R484-E493 IonicContact NE-OE1 2.79Å; R484-E493 PolarHBondContact NE-OE1 3.48Å; R484-E493 VanDerWaalsContact NE-OE1 3.15Å; R484-E493 IonicContact NE-OE2 3.28Å; R484-E493 IonicContact NH2-OE1 3.88Å; R484-E493 PolarHBondContact NH2-OE1 3.19Å; G489-E493 WeakPolarHBondContact O-CB 3.38Å; G489-E493 PolarHBondContact O-N 3.02Å; L491-E493 VanDerWaalsContact C-N 3.33Å; L491-E493 PolarHBondContact O-N 2.96Å; E493-W605 HydrophobicContact CG-CZ3 4.41Å
494	R	95.1	Very high	88.6	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-89.9	-16.5	-175.4	-73.8	157.5	-173.3	67.8	4.7	114.7	N274 V275 K490 L491 E492 P496 H604 W605 V607 M669	N274-R494 VanDerWaalsContact CA-O 3.31Å; N274-R494 WeakPolarHBondContact CA-O 3.22Å; N274-R494 PolarHBondContact OD1-O 3.32Å; V275-R494 HydrophobicContact CG2-CB 4.11Å; V275-R494 HydrophobicContact CG2-CG 3.89Å; V275-R494 PolarHBondContact N-O 3.17Å; V275-R494 VanDerWaalsContact N-O 3.1Å; K490-R494 WeakPolarHBondContact O-CD 3.38Å; K490-R494 PolarHBondContact O-N 2.92Å; K490-R494 PolarHBondContact O-NH1 2.77Å; L491-R494 CarbonylContact O-C 3.57Å; L491-R494 PolarHBondContact O-N 3.42Å; L491-R494 VanDerWaalsContact O-N 3.11Å; E492-R494 VanDerWaalsContact C-N 3.26Å; E492-R494 PolarHBondContact O-N 3.2Å; R494-P496 WeakPolarHBondContact O-CD 3.46Å; R494-H604 VanDerWaalsContact CZ-O 3.29Å; R494-H604 PolarHBondContact NE-O 3.48Å; R494-H604 PolarHBondContact NH2-O 3.14Å; R494-W605 WeakPolarHBondContact CD-O 3.39Å; R494-W605 HydrophobicContact CG-CE3 3.85Å; R494-W605 HydrophobicContact CG-CZ3 4.43Å; R494-V607 HydrophobicContact CB-CG1 3.3Å; R494-V607 HydrophobicContact CG-CG1 4.05Å; R494-M669 VanDerWaalsContact NE-CG 3.3Å
495	L	96.3	Very high	89.8	Confident	3 Å²	3	20 Å²	20	2%	0.016	11%	0.109	C	C	.	.	S	Bend	trans	-112.7	66.8	179.1	-67.8	167.6	0	0	0	111.2	I69 M72 R246 L491 E492 V607	I69-L495 HydrophobicContact CB-CD1 4.47Å; I69-L495 HydrophobicContact CD1-CD1 3.77Å; I69-L495 HydrophobicContact CG2-CD1 4.07Å; M72-L495 HydrophobicContact CE-CD1 3.64Å; M72-L495 HydrophobicContact SD-CD1 4.06Å; R246-L495 PolarHBondContact N-O 2.84Å; L491-L495 WeakPolarHBondContact O-CB 3.22Å; L491-L495 WeakPolarHBondContact O-CG 3.03Å; L491-L495 PolarHBondContact O-N 3.03Å; E492-L495 PolarHBondContact O-N 3.02Å; L495-V607 HydrophobicContact CD1-CG2 4.49Å; L495-V607 HydrophobicContact CD2-CG2 3.95Å; L495-V607 HydrophobicContact CG-CG1 4.34Å; L495-V607 HydrophobicContact CG-CG2 4.28Å
496	P	97.7	Very high	91.3	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-57.4	161.6	173.1	19.8	-28.8	0	0	0	112.9	Y273 V275 R494	Y273-P496 HydrophobicContact CD1-CB 4.15Å; Y273-P496 HydrophobicContact CD1-CG 3.68Å; Y273-P496 HydrophobicContact CE1-CB 3.69Å; Y273-P496 HydrophobicContact CE1-CG 3.27Å; Y273-P496 HydrophobicContact CE2-CG 4.49Å; Y273-P496 HydrophobicContact CG-CG 4.47Å; V275-P496 HydrophobicContact CG1-CG 3.73Å; R494-P496 WeakPolarHBondContact O-CD 3.46Å
497	F	98.1	Very high	92.7	Very high	1 Å²	1	14 Å²	14	0%	0.004	7%	0.072	C	C	.	.			trans	-73.9	137.6	170.9	-180	-106.3	0	0	0	111.1	I244 R246 A249 I257 L260 I269 L472 F473 S474	I244-F497 HydrophobicContact CG2-CB 4.17Å; I244-F497 PolarHBondContact O-N 2.92Å; R246-F497 HydrophobicContact CG-CD2 4.44Å; A249-F497 HydrophobicContact CB-CB 3.93Å; A249-F497 HydrophobicContact CB-CD1 4.32Å; A249-F497 HydrophobicContact CB-CD2 3.64Å; A249-F497 HydrophobicContact CB-CE2 4.25Å; A249-F497 HydrophobicContact CB-CG 3.68Å; I257-F497 HydrophobicContact CD1-CD2 4.29Å; I257-F497 HydrophobicContact CD1-CE2 3.46Å; I257-F497 VanDerWaalsContact CD1-CE2 3.46Å; I257-F497 HydrophobicContact CD1-CZ 3.75Å; L260-F497 HydrophobicContact CD1-CE1 4.46Å; L260-F497 HydrophobicContact CD1-CZ 3.76Å; I269-F497 HydrophobicContact CG2-CE2 4.21Å; L472-F497 HydrophobicContact CD2-CE1 3.82Å; L472-F497 HydrophobicContact CG-CD1 4.48Å; L472-F497 HydrophobicContact CG-CE1 3.9Å; F473-F497 CarbonylContact C-O 3.59Å; F473-F497 WeakPolarHBondContact CA-O 3.44Å; S474-F497 PolarHBondContact N-O 2.78Å
498	M	98.8	Very high	93.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	134.4	165.3	175.5	-178.5	-73	0	0	110.7	M270 Y273 I471 L472 F473 I525 L527 I530	M270-M498 HydrophobicContact CB-CB 4.29Å; M270-M498 HydrophobicContact CB-CG 4.31Å; M270-M498 HydrophobicContact CB-SD 4.3Å; M270-M498 HydrophobicContact CG-CG 4.07Å; M270-M498 HydrophobicContact CG-SD 3.98Å; M270-M498 PolarHBondContact N-O 3.01Å; Y273-M498 HydrophobicContact CD1-CB 3.29Å; Y273-M498 HydrophobicContact CD1-CE 3.85Å; Y273-M498 HydrophobicContact CD1-CG 4.31Å; Y273-M498 HydrophobicContact CD1-SD 4.23Å; Y273-M498 HydrophobicContact CD2-CE 3.81Å; Y273-M498 HydrophobicContact CD2-SD 4.3Å; Y273-M498 HydrophobicContact CE1-CB 3.81Å; Y273-M498 HydrophobicContact CE1-CE 3.61Å; Y273-M498 HydrophobicContact CE2-CE 3.65Å; Y273-M498 HydrophobicContact CG-CB 3.93Å; Y273-M498 HydrophobicContact CG-CE 3.93Å; Y273-M498 HydrophobicContact CG-SD 4.08Å; I471-M498 HydrophobicContact CG2-CG 4.44Å; L472-M498 CarbonylContact O-C 3.59Å; L472-M498 WeakPolarHBondContact O-CA 3.35Å; F473-M498 HydrophobicContact CB-CB 4.21Å; F473-M498 HydrophobicContact CB-CE 3.88Å; F473-M498 HydrophobicContact CB-CG 4.12Å; M498-I525 HydrophobicContact SD-CD1 3.98Å; M498-L527 HydrophobicContact CE-CD2 3.61Å; M498-I530 HydrophobicContact CE-CD1 4.24Å; M498-I530 HydrophobicContact CE-CG1 3.81Å; M498-I530 HydrophobicContact SD-CD1 3.83Å; M498-I530 HydrophobicContact SD-CG1 4.07Å
499	S	98.7	Very high	94.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.4	165.5	69.3	0	0	0	0	112	I268 I471 L472	I268-S499 CarbonylContact O-C 3.54Å; I268-S499 WeakPolarHBondContact O-CA 3.24Å; I268-S499 WeakPolarHBondContact O-CB 3.39Å; I471-S499 WeakPolarHBondContact CA-O 3.07Å; L472-S499 PolarHBondContact N-O 3.17Å; L472-S499 PolarHBondContact O-N 3.37Å
500	I	98.8	Very high	95.4	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.8	176	-56.2	174.6	0	0	0	107.9	T267 I268 M270 L469 V470 I471 M517 I530 L586	T267-I500 CarbonylContact C-O 3.46Å; T267-I500 WeakPolarHBondContact CA-O 3.41Å; I268-I500 PolarHBondContact N-O 2.99Å; I268-I500 PolarHBondContact O-N 2.81Å; M270-I500 HydrophobicContact CG-CD1 4.37Å; M270-I500 HydrophobicContact SD-CD1 4.33Å; L469-I500 HydrophobicContact CD1-CG2 3.84Å; V470-I500 CarbonylContact O-C 3.58Å; V470-I500 WeakPolarHBondContact O-CA 3.36Å; I471-I500 HydrophobicContact CG1-CG1 4.44Å; I500-M517 HydrophobicContact CB-CE 4.5Å; I500-M517 HydrophobicContact CD1-CE 3.67Å; I500-M517 HydrophobicContact CG2-CE 3.75Å; I500-I530 HydrophobicContact CD1-CD1 4.21Å; I500-L586 HydrophobicContact CD1-CD1 3.88Å
501	I	98.8	Very high	96	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.041	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113.8	179.4	-44.2	173.8	0	0	0	107.9	L260 I263 S266 T267 I440 V470	L260-I501 HydrophobicContact CD2-CD1 3.51Å; L260-I501 HydrophobicContact CD2-CG1 3.99Å; I263-I501 HydrophobicContact CD1-CG2 4.09Å; S266-I501 CarbonylContact O-C 3.47Å; S266-I501 WeakPolarHBondContact O-CA 3.22Å; T267-I501 HydrophobicContact CG2-CG1 4.28Å; I440-I501 HydrophobicContact CD1-CD1 3.97Å; I440-I501 HydrophobicContact CG1-CD1 4.48Å; I440-I501 HydrophobicContact CG2-CD1 3.44Å; I440-I501 VanDerWaalsContact CG2-CD1 3.44Å; V470-I501 HydrophobicContact CB-CB 4.05Å; V470-I501 HydrophobicContact CB-CD1 4.27Å; V470-I501 HydrophobicContact CB-CG1 4.33Å; V470-I501 HydrophobicContact CG1-CD1 4.42Å; V470-I501 PolarHBondContact N-O 3.45Å; V470-I501 PolarHBondContact O-N 3.03Å
502	A	98.5	Very high	96.4	Very high	3 Å²	3	28.6 Å²	28.6	3%	0.025	14%	0.142	C	C	.	.			trans	-97.7	134.6	-178.1	0	0	0	0	0	111.1	S266 L469 F506 Q507 W514	S266-A502 PolarHBondContact O-N 3.49Å; L469-A502 HydrophobicContact CD1-CB 4.29Å; A502-F506 HydrophobicContact CB-CB 4.31Å; A502-F506 HydrophobicContact CB-CD1 3.79Å; A502-F506 HydrophobicContact CB-CE1 4.46Å; A502-F506 HydrophobicContact CB-CG 4.19Å; A502-Q507 HydrophobicContact CB-CG 3.94Å; A502-Q507 PolarHBondContact O-NE2 3.4Å; A502-W514 HydrophobicContact CB-CD2 4.2Å; A502-W514 HydrophobicContact CB-CE3 3.77Å; A502-W514 HydrophobicContact CB-CH2 3.66Å; A502-W514 HydrophobicContact CB-CZ2 4.08Å; A502-W514 HydrophobicContact CB-CZ3 3.48Å; A502-W514 VanDerWaalsContact CB-CZ3 3.48Å
503	P	97.4	Very high	96.8	Very high	6 Å²	6	30.5 Å²	30.5	4%	0.039	15%	0.151	C	C	.	.			trans	-70	156.5	174.5	28.8	-31.5	0	0	0	110.8	Y234 D447 T468 M505 F506 Q507	Y234-P503 HydrophobicContact CD1-CG 3.6Å; Y234-P503 HydrophobicContact CE1-CG 3.88Å; D447-P503 VanDerWaalsContact OD1-CB 3.31Å; D447-P503 WeakPolarHBondContact OD1-CB 3.41Å; T468-P503 WeakPolarHBondContact O-CD 3.39Å; P503-M505 VanDerWaalsContact C-N 3.33Å; P503-M505 PolarHBondContact O-N 3.03Å; P503-F506 HydrophobicContact CG-CB 3.85Å; P503-F506 WeakPolarHBondContact O-CA 3.33Å; P503-F506 WeakPolarHBondContact O-CB 3.15Å; P503-F506 PolarHBondContact O-N 3.3Å; P503-Q507 PolarHBondContact O-N 2.9Å
504	K	95.8	Very high	97.1	Very high	82 Å²	82	31 Å²	31	36%	0.357	15%	0.153	S	C	.	.	H	α-helix	trans	-53.9	-46.5	-173.1	-178.4	172.2	178	174.8	0	112.9	D447 L448 N451 F506 Q507 E508	D447-K504 WeakPolarHBondContact OD2-CB 3.39Å; D447-K504 PolarHBondContact OD2-N 3.48Å; L448-K504 HydrophobicContact CD2-CD 4.35Å; N451-K504 HydrophobicContact CB-CD 4.16Å; K504-F506 PolarHBondContact O-N 3.29Å; K504-Q507 WeakPolarHBondContact O-CB 3.03Å; K504-Q507 PolarHBondContact O-N 3.31Å; K504-Q507 VanDerWaalsContact O-N 3.11Å; K504-E508 WeakPolarHBondContact CE-OE1 3.37Å; K504-E508 WeakPolarHBondContact CG-OE1 3.14Å; K504-E508 WeakPolarHBondContact O-CG 3.26Å; K504-E508 PolarHBondContact O-N 3.43Å
505	M	93.8	Very high	97.2	Very high	32 Å²	32	33 Å²	33	16%	0.158	17%	0.17	C	C	.	.	H	α-helix	trans	-63.6	-26.7	178.9	-172.5	175	50.2	0	0	112.8	L232 Y234 N467 P503 K509	L232-M505 HydrophobicContact CD1-CE 3.17Å; L232-M505 HydrophobicContact CD1-CG 4.39Å; L232-M505 HydrophobicContact CD1-SD 3.54Å; L232-M505 VanDerWaalsContact CD1-SD 3.54Å; Y234-M505 HydrophobicContact CE1-CB 4.45Å; Y234-M505 HydrophobicContact CE1-CE 4.31Å; Y234-M505 VanDerWaalsContact OH-C 3.28Å; Y234-M505 PolarHBondContact OH-O 3.24Å; N467-M505 HydrophobicContact CB-CE 4.39Å; N467-M505 WeakPolarHBondContact ND2-CE 3.09Å; N467-M505 WeakPolarHBondContact OD1-CE 3.36Å; P503-M505 VanDerWaalsContact C-N 3.33Å; P503-M505 PolarHBondContact O-N 3.03Å; M505-K509 HydrophobicContact CG-CD 3.88Å; M505-K509 HydrophobicContact CG-CG 4.11Å; M505-K509 VanDerWaalsContact O-CB 3.3Å; M505-K509 WeakPolarHBondContact O-CB 3.08Å; M505-K509 WeakPolarHBondContact O-CG 3.27Å; M505-K509 PolarHBondContact O-N 3.08Å; M505-K509 HydrophobicContact SD-CD 4.31Å
506	F	97.1	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.7	-49.7	173.3	-177.3	-76.8	0	0	0	109.8	Y234 A502 P503 K504 E508 K509 W510 W514 M517 L537 F587	Y234-F506 HydrophobicContact CD1-CB 4.08Å; Y234-F506 HydrophobicContact CD1-CD2 4.24Å; Y234-F506 HydrophobicContact CE1-CB 3.47Å; Y234-F506 VanDerWaalsContact CE1-CB 3.47Å; Y234-F506 HydrophobicContact CE1-CD2 4.16Å; Y234-F506 HydrophobicContact CE1-CG 4.32Å; Y234-F506 WeakPolarHBondContact OH-CA 3.46Å; Y234-F506 PolarHBondContact OH-N 3.15Å; A502-F506 HydrophobicContact CB-CB 4.31Å; A502-F506 HydrophobicContact CB-CD1 3.79Å; A502-F506 HydrophobicContact CB-CE1 4.46Å; A502-F506 HydrophobicContact CB-CG 4.19Å; P503-F506 HydrophobicContact CG-CB 3.85Å; P503-F506 WeakPolarHBondContact O-CA 3.33Å; P503-F506 WeakPolarHBondContact O-CB 3.15Å; P503-F506 PolarHBondContact O-N 3.3Å; K504-F506 PolarHBondContact O-N 3.29Å; F506-E508 VanDerWaalsContact C-N 3.27Å; F506-E508 PolarHBondContact O-N 3Å; F506-K509 PolarHBondContact O-N 3.39Å; F506-W510 HydrophobicContact CB-CE3 4.42Å; F506-W510 HydrophobicContact CD1-CE3 4.48Å; F506-W510 AromaticContact CD2-CE3 3.23Å; F506-W510 HydrophobicContact CD2-CE3 3.23Å; F506-W510 AromaticContact CD2-CZ3 3.38Å; F506-W510 HydrophobicContact CD2-CZ3 3.38Å; F506-W510 AromaticContact CE2-CE3 3.36Å; F506-W510 HydrophobicContact CE2-CE3 3.36Å; F506-W510 AromaticContact CE2-CZ3 3.55Å; F506-W510 HydrophobicContact CE2-CZ3 3.55Å; F506-W510 AromaticContact CG-CE3 3.81Å; F506-W510 HydrophobicContact CG-CE3 3.81Å; F506-W510 HydrophobicContact CG-CZ3 4.31Å; F506-W510 HydrophobicContact CZ-CE3 4.06Å; F506-W510 WeakPolarHBondContact O-CA 2.95Å; F506-W510 WeakPolarHBondContact O-CB 3.47Å; F506-W510 PolarHBondContact O-N 3.11Å; F506-W514 HydrophobicContact CD1-CB 4.47Å; F506-W514 HydrophobicContact CD1-CE3 4.42Å; F506-W514 HydrophobicContact CE1-CB 4.21Å; F506-W514 HydrophobicContact CE1-CE3 4.12Å; F506-M517 HydrophobicContact CE1-SD 4.17Å; F506-M517 HydrophobicContact CZ-SD 4.11Å; F506-L537 HydrophobicContact CE2-CD1 4.17Å; F506-F587 HydrophobicContact CE2-CE1 4.28Å; F506-F587 HydrophobicContact CE2-CZ 4.14Å; F506-F587 AromaticContact CZ-CE1 3.66Å; F506-F587 HydrophobicContact CZ-CE1 3.66Å; F506-F587 AromaticContact CZ-CZ 3.94Å; F506-F587 HydrophobicContact CZ-CZ 3.94Å
507	Q	97.1	Very high	97.4	Very high	34 Å²	34	34.6 Å²	34.6	16%	0.159	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-37.5	-177.7	-55.5	176.7	46	0	0	111.7	E265 S266 A502 P503 K504 S511 W514	E265-Q507 PolarHBondContact O-OE1 2.96Å; S266-Q507 PolarHBondContact OG-NE2 2.84Å; A502-Q507 HydrophobicContact CB-CG 3.94Å; A502-Q507 PolarHBondContact O-NE2 3.4Å; P503-Q507 PolarHBondContact O-N 2.9Å; K504-Q507 WeakPolarHBondContact O-CB 3.03Å; K504-Q507 PolarHBondContact O-N 3.31Å; K504-Q507 VanDerWaalsContact O-N 3.11Å; Q507-S511 WeakPolarHBondContact O-CA 3.44Å; Q507-S511 WeakPolarHBondContact O-CB 3.41Å; Q507-S511 PolarHBondContact O-N 2.95Å; Q507-W514 HydrophobicContact CB-CG 4.37Å; Q507-W514 HydrophobicContact CG-CD2 4.25Å; Q507-W514 HydrophobicContact CG-CG 4.2Å
508	E	95	Very high	97.4	Very high	118 Å²	118	38 Å²	38	55%	0.551	19%	0.193	S	C	*	.	H	α-helix	trans	-76.1	-49.8	179	-68.4	172.5	177.5	0	0	112.6	K504 F506	K504-E508 WeakPolarHBondContact CE-OE1 3.37Å; K504-E508 WeakPolarHBondContact CG-OE1 3.14Å; K504-E508 WeakPolarHBondContact O-CG 3.26Å; K504-E508 PolarHBondContact O-N 3.43Å; F506-E508 VanDerWaalsContact C-N 3.27Å; F506-E508 PolarHBondContact O-N 3Å
509	K	94	Very high	97.2	Very high	95 Å²	95	42 Å²	42	41%	0.413	21%	0.214	S	C	.	.	H	α-helix	trans	-79	-27.2	-174.2	-70.2	-167	172.7	-161.3	0	113.9	L232 M505 F506 Y544	L232-K509 HydrophobicContact CD1-CD 4.5Å; L232-K509 HydrophobicContact CD2-CD 3.6Å; M505-K509 HydrophobicContact CG-CD 3.88Å; M505-K509 HydrophobicContact CG-CG 4.11Å; M505-K509 VanDerWaalsContact O-CB 3.3Å; M505-K509 WeakPolarHBondContact O-CB 3.08Å; M505-K509 WeakPolarHBondContact O-CG 3.27Å; M505-K509 PolarHBondContact O-N 3.08Å; M505-K509 HydrophobicContact SD-CD 4.31Å; F506-K509 PolarHBondContact O-N 3.39Å; K509-Y544 PolarHBondContact NZ-OH 3.09Å
510	W	96.5	Very high	97.2	Very high	22 Å²	22	42 Å²	42	8%	0.083	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	49	179.9	-61.3	-46	0	0	0	110.6	L232 Y234 F506 N512 Q513 W514 L537 Q541	L232-W510 HydrophobicContact CD2-CZ2 4.26Å; Y234-W510 HydrophobicContact CD1-CZ3 4.45Å; Y234-W510 HydrophobicContact CD2-CE3 4.31Å; Y234-W510 AromaticContact CD2-CH2 3.21Å; Y234-W510 HydrophobicContact CD2-CH2 3.21Å; Y234-W510 HydrophobicContact CD2-CZ2 4.39Å; Y234-W510 AromaticContact CD2-CZ3 3.15Å; Y234-W510 HydrophobicContact CD2-CZ3 3.15Å; Y234-W510 HydrophobicContact CE1-CZ3 4.18Å; Y234-W510 HydrophobicContact CE2-CD2 4.5Å; Y234-W510 AromaticContact CE2-CE3 3.69Å; Y234-W510 HydrophobicContact CE2-CE3 3.69Å; Y234-W510 AromaticContact CE2-CH2 2.92Å; Y234-W510 HydrophobicContact CE2-CH2 2.92Å; Y234-W510 AromaticContact CE2-CZ2 3.81Å; Y234-W510 HydrophobicContact CE2-CZ2 3.81Å; Y234-W510 AromaticContact CE2-CZ3 2.84Å; Y234-W510 HydrophobicContact CE2-CZ3 2.84Å; Y234-W510 HydrophobicContact CG-CH2 4.38Å; Y234-W510 AromaticContact CG-CZ3 3.98Å; Y234-W510 HydrophobicContact CG-CZ3 3.98Å; Y234-W510 AromaticContact CZ-CE3 3.79Å; Y234-W510 AromaticContact CZ-CH2 3.88Å; Y234-W510 AromaticContact CZ-CZ3 3.37Å; F506-W510 HydrophobicContact CB-CE3 4.42Å; F506-W510 HydrophobicContact CD1-CE3 4.48Å; F506-W510 AromaticContact CD2-CE3 3.23Å; F506-W510 HydrophobicContact CD2-CE3 3.23Å; F506-W510 AromaticContact CD2-CZ3 3.38Å; F506-W510 HydrophobicContact CD2-CZ3 3.38Å; F506-W510 AromaticContact CE2-CE3 3.36Å; F506-W510 HydrophobicContact CE2-CE3 3.36Å; F506-W510 AromaticContact CE2-CZ3 3.55Å; F506-W510 HydrophobicContact CE2-CZ3 3.55Å; F506-W510 AromaticContact CG-CE3 3.81Å; F506-W510 HydrophobicContact CG-CE3 3.81Å; F506-W510 HydrophobicContact CG-CZ3 4.31Å; F506-W510 HydrophobicContact CZ-CE3 4.06Å; F506-W510 WeakPolarHBondContact O-CA 2.95Å; F506-W510 WeakPolarHBondContact O-CB 3.47Å; F506-W510 PolarHBondContact O-N 3.11Å; W510-N512 VanDerWaalsContact C-N 3.32Å; W510-N512 PolarHBondContact O-N 3.1Å; W510-Q513 VanDerWaalsContact C-OE1 3.32Å; W510-Q513 VanDerWaalsContact CA-OE1 3.24Å; W510-Q513 HydrophobicContact CB-CB 4.14Å; W510-Q513 HydrophobicContact CB-CG 4.36Å; W510-Q513 PolarHBondContact O-N 2.74Å; W510-Q513 PolarHBondContact O-OE1 2.9Å; W510-W514 WeakPolarHBondContact O-CB 3.36Å; W510-W514 PolarHBondContact O-N 2.82Å; W510-L537 HydrophobicContact CE3-CD1 4.3Å; W510-L537 HydrophobicContact CH2-CD1 3.35Å; W510-L537 HydrophobicContact CZ2-CD1 4.36Å; W510-L537 HydrophobicContact CZ3-CD1 3.33Å; W510-Q541 HydrophobicContact CH2-CG 3.41Å; W510-Q541 VanDerWaalsContact CH2-CG 3.41Å; W510-Q541 HydrophobicContact CZ2-CG 3.75Å
511	S	97.6	Very high	97.1	Very high	63 Å²	63	45.5 Å²	45.5	44%	0.441	23%	0.231	S	C	.	.	H	α-helix	trans	-58	-39.3	-178.1	56.1	0	0	0	0	113.3	Q507 W514 A515	Q507-S511 WeakPolarHBondContact O-CA 3.44Å; Q507-S511 WeakPolarHBondContact O-CB 3.41Å; Q507-S511 PolarHBondContact O-N 2.95Å; S511-W514 PolarHBondContact O-N 3.47Å; S511-A515 VanDerWaalsContact O-CB 3.3Å; S511-A515 WeakPolarHBondContact O-CB 3.17Å; S511-A515 PolarHBondContact O-N 2.86Å
512	N	98.1	Very high	96.8	Very high	117 Å²	117	48.7 Å²	48.7	63%	0.626	25%	0.248	S	C	*	.	H	α-helix	trans	-64.7	-43.9	176.5	-70.5	-16.7	0	0	0	111.7	W510 A515 N516	W510-N512 VanDerWaalsContact C-N 3.32Å; W510-N512 PolarHBondContact O-N 3.1Å; N512-A515 PolarHBondContact O-N 3.29Å; N512-N516 WeakPolarHBondContact O-CB 3.39Å; N512-N516 VanDerWaalsContact O-CG 3.31Å; N512-N516 PolarHBondContact O-N 2.96Å; N512-N516 PolarHBondContact O-ND2 2.82Å
513	Q	98	Very high	96.7	Very high	54 Å²	54	50 Å²	50	25%	0.252	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-43.6	176.6	-65.4	76.9	5.4	0	0	110.2	W510 A515 N516 M517 F587	W510-Q513 VanDerWaalsContact C-OE1 3.32Å; W510-Q513 VanDerWaalsContact CA-OE1 3.24Å; W510-Q513 HydrophobicContact CB-CB 4.14Å; W510-Q513 HydrophobicContact CB-CG 4.36Å; W510-Q513 PolarHBondContact O-N 2.74Å; W510-Q513 PolarHBondContact O-OE1 2.9Å; Q513-A515 PolarHBondContact O-N 3.45Å; Q513-N516 PolarHBondContact O-N 2.77Å; Q513-M517 VanDerWaalsContact O-CG 3.26Å; Q513-M517 WeakPolarHBondContact O-CG 3.49Å; Q513-M517 PolarHBondContact O-N 3.4Å; Q513-F587 HydrophobicContact CB-CB 4.03Å; Q513-F587 HydrophobicContact CB-CD1 3.78Å; Q513-F587 HydrophobicContact CB-CD2 4.46Å; Q513-F587 HydrophobicContact CB-CE1 4.38Å; Q513-F587 HydrophobicContact CB-CG 3.84Å; Q513-F587 HydrophobicContact CG-CB 3.73Å; Q513-F587 HydrophobicContact CG-CD1 4.19Å; Q513-F587 HydrophobicContact CG-CD2 3.98Å; Q513-F587 HydrophobicContact CG-CG 3.71Å
514	W	98.2	Very high	96.7	Very high	11 Å²	11	49.9 Å²	49.9	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-42	176.4	-174.1	-131.9	0	0	0	112.6	E265 S266 I268 A502 F506 Q507 W510 S511 M517 K518	E265-W514 WeakPolarHBondContact O-CZ2 2.81Å; E265-W514 PolarHBondContact O-NE1 3.1Å; S266-W514 VanDerWaalsContact C-CZ2 3.5Å; S266-W514 WeakPolarHBondContact O-CH2 3.15Å; I268-W514 HydrophobicContact CD1-CD2 4.49Å; I268-W514 HydrophobicContact CD1-CE3 3.85Å; I268-W514 HydrophobicContact CD1-CH2 3.4Å; I268-W514 VanDerWaalsContact CD1-CH2 3.4Å; I268-W514 HydrophobicContact CD1-CZ2 4.09Å; I268-W514 HydrophobicContact CD1-CZ3 3.26Å; I268-W514 HydrophobicContact CG1-CH2 3.53Å; I268-W514 HydrophobicContact CG1-CZ2 4.06Å; I268-W514 HydrophobicContact CG1-CZ3 3.96Å; A502-W514 HydrophobicContact CB-CD2 4.2Å; A502-W514 HydrophobicContact CB-CE3 3.77Å; A502-W514 HydrophobicContact CB-CH2 3.66Å; A502-W514 HydrophobicContact CB-CZ2 4.08Å; A502-W514 HydrophobicContact CB-CZ3 3.48Å; A502-W514 VanDerWaalsContact CB-CZ3 3.48Å; F506-W514 HydrophobicContact CD1-CB 4.47Å; F506-W514 HydrophobicContact CD1-CE3 4.42Å; F506-W514 HydrophobicContact CE1-CB 4.21Å; F506-W514 HydrophobicContact CE1-CE3 4.12Å; Q507-W514 HydrophobicContact CB-CG 4.37Å; Q507-W514 HydrophobicContact CG-CD2 4.25Å; Q507-W514 HydrophobicContact CG-CG 4.2Å; W510-W514 WeakPolarHBondContact O-CB 3.36Å; W510-W514 PolarHBondContact O-N 2.82Å; S511-W514 PolarHBondContact O-N 3.47Å; W514-M517 HydrophobicContact CE3-CB 4.26Å; W514-M517 HydrophobicContact CE3-SD 4.11Å; W514-M517 HydrophobicContact CZ3-CE 4.49Å; W514-M517 HydrophobicContact CZ3-SD 4.49Å; W514-M517 PolarHBondContact O-N 2.6Å; W514-K518 VanDerWaalsContact CE2-CE 3.44Å; W514-K518 WeakPolarHBondContact O-CG 3.5Å; W514-K518 PolarHBondContact O-N 2.87Å
515	A	98.1	Very high	96.8	Very high	42 Å²	42	46 Å²	46	35%	0.347	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-41.9	174.6	0	0	0	0	0	111.8	S511 N512 Q513 K518 N519	S511-A515 VanDerWaalsContact O-CB 3.3Å; S511-A515 WeakPolarHBondContact O-CB 3.17Å; S511-A515 PolarHBondContact O-N 2.86Å; N512-A515 PolarHBondContact O-N 3.29Å; Q513-A515 PolarHBondContact O-N 3.45Å; A515-K518 PolarHBondContact O-N 2.95Å; A515-N519 PolarHBondContact O-N 3.36Å; A515-N519 PolarHBondContact O-ND2 3.48Å
516	N	98.5	Very high	97	Very high	34 Å²	34	44.5 Å²	44.5	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-42.9	175	-73.6	-20.7	0	0	0	112	N512 Q513 K518 N519 N520 F587 Q589	N512-N516 WeakPolarHBondContact O-CB 3.39Å; N512-N516 VanDerWaalsContact O-CG 3.31Å; N512-N516 PolarHBondContact O-N 2.96Å; N512-N516 PolarHBondContact O-ND2 2.82Å; Q513-N516 PolarHBondContact O-N 2.77Å; N516-K518 VanDerWaalsContact C-N 3.33Å; N516-K518 PolarHBondContact O-N 2.62Å; N516-N519 WeakPolarHBondContact O-CB 3.33Å; N516-N519 PolarHBondContact O-N 2.71Å; N516-N519 VanDerWaalsContact O-N 3.17Å; N516-N520 PolarHBondContact O-N 3.37Å; N516-N520 PolarHBondContact O-ND2 2.88Å; N516-N520 VanDerWaalsContact O-ND2 3.08Å; N516-F587 WeakPolarHBondContact CB-O 3.46Å; N516-F587 PolarHBondContact ND2-O 3.35Å; N516-Q589 HydrophobicContact CB-CG 4.42Å; N516-Q589 WeakPolarHBondContact OD1-CG 3.42Å
517	M	98.4	Very high	97.1	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.02	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-43.9	174.1	-68.1	175.3	77.6	0	0	111.4	I268 I500 F506 Q513 W514 N519 N520 Q521 L586 F587	I268-M517 HydrophobicContact CD1-CB 3.64Å; I500-M517 HydrophobicContact CB-CE 4.5Å; I500-M517 HydrophobicContact CD1-CE 3.67Å; I500-M517 HydrophobicContact CG2-CE 3.75Å; F506-M517 HydrophobicContact CE1-SD 4.17Å; F506-M517 HydrophobicContact CZ-SD 4.11Å; Q513-M517 VanDerWaalsContact O-CG 3.26Å; Q513-M517 WeakPolarHBondContact O-CG 3.49Å; Q513-M517 PolarHBondContact O-N 3.4Å; W514-M517 HydrophobicContact CE3-CB 4.26Å; W514-M517 HydrophobicContact CE3-SD 4.11Å; W514-M517 HydrophobicContact CZ3-CE 4.49Å; W514-M517 HydrophobicContact CZ3-SD 4.49Å; W514-M517 PolarHBondContact O-N 2.6Å; M517-N519 PolarHBondContact O-N 3.33Å; M517-N520 WeakPolarHBondContact O-CB 3.48Å; M517-N520 PolarHBondContact O-N 3.48Å; M517-N520 VanDerWaalsContact O-N 3.1Å; M517-Q521 PolarHBondContact O-N 3.43Å; M517-L586 HydrophobicContact CG-CB 3.92Å; M517-L586 WeakPolarHBondContact CG-O 3.49Å; M517-L586 PolarHBondContact N-O 2.87Å; M517-F587 HydrophobicContact CG-CD1 4.25Å; M517-F587 HydrophobicContact SD-CD1 3.82Å; M517-F587 HydrophobicContact SD-CE1 3.74Å
518	K	97.7	Very high	97.2	Very high	71 Å²	71	42.9 Å²	42.9	31%	0.309	22%	0.22	S	C	.	.	H	α-helix	trans	-59.4	-45.4	174.1	-75.3	-174.8	174.1	178.7	0	111.6	E265 I268 W514 A515 N516 N520 Q521	E265-K518 WeakPolarHBondContact O-CE 3.12Å; E265-K518 PolarHBondContact O-NZ 3.37Å; I268-K518 HydrophobicContact CD1-CB 4.37Å; I268-K518 HydrophobicContact CD1-CG 3.74Å; I268-K518 HydrophobicContact CG1-CG 3.86Å; W514-K518 VanDerWaalsContact CE2-CE 3.44Å; W514-K518 WeakPolarHBondContact O-CG 3.5Å; W514-K518 PolarHBondContact O-N 2.87Å; A515-K518 PolarHBondContact O-N 2.95Å; N516-K518 VanDerWaalsContact C-N 3.33Å; N516-K518 PolarHBondContact O-N 2.62Å; K518-N520 PolarHBondContact O-N 3.16Å; K518-Q521 WeakPolarHBondContact O-CB 3.35Å; K518-Q521 VanDerWaalsContact O-CG 3.26Å; K518-Q521 WeakPolarHBondContact O-CG 3.41Å; K518-Q521 PolarHBondContact O-N 3.44Å; K518-Q521 VanDerWaalsContact O-N 3.16Å
519	N	96.1	Very high	97.3	Very high	85 Å²	85	37.3 Å²	37.3	46%	0.455	19%	0.193	S	C	.	.	H	α-helix	trans	-63.8	-23.6	177.1	-67.6	-21.9	0	0	0	112.9	A515 N516 M517 R523	A515-N519 PolarHBondContact O-N 3.36Å; A515-N519 PolarHBondContact O-ND2 3.48Å; N516-N519 WeakPolarHBondContact O-CB 3.33Å; N516-N519 PolarHBondContact O-N 2.71Å; N516-N519 VanDerWaalsContact O-N 3.17Å; M517-N519 PolarHBondContact O-N 3.33Å; N519-R523 PolarHBondContact O-NE 3.11Å
520	N	97.7	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.7	178.1	-65.9	-30.8	0	0	0	114.2	M270 N516 M517 K518 N522 R523 L586 N588 I590	M270-N520 HydrophobicContact CE-CB 4.33Å; N516-N520 PolarHBondContact O-N 3.37Å; N516-N520 PolarHBondContact O-ND2 2.88Å; N516-N520 VanDerWaalsContact O-ND2 3.08Å; M517-N520 WeakPolarHBondContact O-CB 3.48Å; M517-N520 PolarHBondContact O-N 3.48Å; M517-N520 VanDerWaalsContact O-N 3.1Å; K518-N520 PolarHBondContact O-N 3.16Å; N520-N522 PolarHBondContact O-N 3.1Å; N520-R523 PolarHBondContact O-N 3.34Å; N520-R523 WeakPolarHBondContact OD1-CD 3.37Å; N520-R523 PolarHBondContact OD1-NH1 3.48Å; N520-L586 HydrophobicContact CB-CD2 4.44Å; N520-L586 PolarHBondContact ND2-O 3.41Å; N520-L586 VanDerWaalsContact ND2-O 3.11Å; N520-N588 PolarHBondContact ND2-O 2.7Å; N520-I590 HydrophobicContact CB-CG1 4.28Å; N520-I590 PolarHBondContact OD1-N 2.76Å
521	Q	95.8	Very high	97.7	Very high	75 Å²	75	31.8 Å²	31.8	35%	0.35	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.8	-175.4	74	178.9	21.7	0	0	114.6	I268 N271 M517 K518	I268-Q521 HydrophobicContact CG2-CB 3.64Å; N271-Q521 PolarHBondContact N-O 3.1Å; M517-Q521 PolarHBondContact O-N 3.43Å; K518-Q521 WeakPolarHBondContact O-CB 3.35Å; K518-Q521 VanDerWaalsContact O-CG 3.26Å; K518-Q521 WeakPolarHBondContact O-CG 3.41Å; K518-Q521 PolarHBondContact O-N 3.44Å; K518-Q521 VanDerWaalsContact O-N 3.16Å
522	N	93.4	Very high	97.7	Very high	75 Å²	75	29.3 Å²	29.3	40%	0.401	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	25.8	-177.6	-66.7	-32.9	0	0	0	111.9	N271 N520	N271-N522 PolarHBondContact ND2-OD1 3.41Å; N520-N522 PolarHBondContact O-N 3.1Å
523	R	95.7	Very high	97.8	Very high	29 Å²	29	24.1 Å²	24.1	11%	0.109	13%	0.126	C	C	.	.	S	Bend	trans	-116.8	150.5	-179.8	-59.4	-171.7	178.7	168.5	-16.4	110.2	N519 N520 I525 Q589 I590	N519-R523 PolarHBondContact O-NE 3.11Å; N520-R523 PolarHBondContact O-N 3.34Å; N520-R523 WeakPolarHBondContact OD1-CD 3.37Å; N520-R523 PolarHBondContact OD1-NH1 3.48Å; R523-I525 PolarHBondContact O-N 3.04Å; R523-I525 VanDerWaalsContact O-N 3.15Å; R523-Q589 VanDerWaalsContact NH1-CA 3.3Å; R523-I590 HydrophobicContact CB-CB 4.12Å; R523-I590 HydrophobicContact CB-CG2 4.09Å; R523-I590 WeakPolarHBondContact CD-O 3.37Å; R523-I590 PolarHBondContact NE-O 2.56Å; R523-I590 VanDerWaalsContact NH1-N 3.17Å; R523-I590 PolarHBondContact NH1-O 3.13Å
524	L	97.5	Very high	97.8	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.026	11%	0.114	C	C	.	.			trans	-67.2	114.5	-176.2	-179.6	64.5	0	0	0	109.4	C67 L272 N274 R594 N595 A599 I601	C67-L524 HydrophobicContact CB-CB 4Å; C67-L524 HydrophobicContact CB-CD2 4.19Å; L272-L524 HydrophobicContact CD2-CB 4.24Å; N274-L524 HydrophobicContact CB-CD1 3.88Å; L524-R594 PolarHBondContact O-NH1 3.24Å; L524-N595 WeakPolarHBondContact CD2-O 3.15Å; L524-A599 HydrophobicContact CD2-CB 3.94Å; L524-A599 HydrophobicContact CG-CB 4.22Å; L524-I601 HydrophobicContact CD1-CD1 3.93Å; L524-I601 HydrophobicContact CD2-CD1 4.16Å; L524-I601 HydrophobicContact CG-CD1 4.25Å
525	I	98.3	Very high	97.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-133.3	158.6	177.4	66.1	139.3	0	0	0	111.4	M270 L272 Y273 N274 M498 R523 D529 I530 L586 I590	M270-I525 HydrophobicContact CB-CD1 4.06Å; M270-I525 HydrophobicContact CE-CD1 3.35Å; M270-I525 HydrophobicContact CE-CG1 3.97Å; M270-I525 HydrophobicContact CE-CG2 4.43Å; M270-I525 HydrophobicContact CG-CD1 3.99Å; L272-I525 PolarHBondContact O-N 2.86Å; Y273-I525 WeakPolarHBondContact CA-O 3.32Å; N274-I525 PolarHBondContact N-O 3.38Å; M498-I525 HydrophobicContact SD-CD1 3.98Å; R523-I525 PolarHBondContact O-N 3.04Å; R523-I525 VanDerWaalsContact O-N 3.15Å; I525-D529 WeakPolarHBondContact CA-OD2 3.36Å; I525-D529 HydrophobicContact CB-CB 4.31Å; I525-D529 WeakPolarHBondContact CB-OD2 3.23Å; I525-I530 HydrophobicContact CD1-CD1 4.48Å; I525-L586 HydrophobicContact CB-CD2 4.38Å; I525-L586 HydrophobicContact CD1-CD1 4.33Å; I525-L586 HydrophobicContact CG2-CD2 3.62Å; I525-I590 HydrophobicContact CG2-CG1 4.05Å
526	T	98.5	Very high	97.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.			trans	-133.1	178.4	176.2	68.8	0	0	0	0	110.5	I276 F528 D529 I530 A599 I601	I276-T526 HydrophobicContact CG2-CG2 3.6Å; T526-F528 PolarHBondContact O-N 2.96Å; T526-F528 WeakPolarHBondContact OG1-CB 3.22Å; T526-F528 PolarHBondContact OG1-N 2.76Å; T526-D529 PolarHBondContact N-OD2 3.3Å; T526-D529 WeakPolarHBondContact O-CB 3.46Å; T526-D529 PolarHBondContact O-N 3.3Å; T526-D529 VanDerWaalsContact O-N 3.09Å; T526-I530 PolarHBondContact O-N 2.93Å; T526-A599 HydrophobicContact CG2-CB 4.26Å; T526-I601 HydrophobicContact CG2-CD1 3.63Å; T526-I601 HydrophobicContact CG2-CG1 3.71Å
527	L	98.6	Very high	97.8	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-64.8	-20.2	173.4	-73.6	173.8	0	0	0	113.5	Y273 N283 L287 F473 M498 D529 I530 H531	Y273-L527 HydrophobicContact CE2-CD2 4.2Å; Y273-L527 HydrophobicContact CE2-CG 3.88Å; Y273-L527 WeakPolarHBondContact OH-CD1 3.26Å; Y273-L527 VanDerWaalsContact OH-CG 3.28Å; Y273-L527 WeakPolarHBondContact OH-CG 3.35Å; N283-L527 HydrophobicContact CB-CD1 3.85Å; N283-L527 WeakPolarHBondContact O-CD1 3.34Å; L287-L527 HydrophobicContact CB-CB 3.94Å; L287-L527 HydrophobicContact CB-CD1 4.23Å; L287-L527 HydrophobicContact CB-CD2 4.26Å; L287-L527 HydrophobicContact CB-CG 4.36Å; L287-L527 HydrophobicContact CD1-CD2 4.15Å; L287-L527 HydrophobicContact CD2-CD2 4.23Å; L287-L527 HydrophobicContact CG-CD2 4.45Å; F473-L527 HydrophobicContact CD2-CD1 4.46Å; F473-L527 HydrophobicContact CD2-CD2 3.83Å; F473-L527 HydrophobicContact CE2-CD1 4.24Å; F473-L527 HydrophobicContact CE2-CD2 4.05Å; M498-L527 HydrophobicContact CE-CD2 3.61Å; L527-D529 VanDerWaalsContact C-N 3.29Å; L527-D529 PolarHBondContact O-N 2.74Å; L527-I530 HydrophobicContact CD2-CG1 4.32Å; L527-I530 PolarHBondContact O-N 3.26Å; L527-H531 PolarHBondContact O-N 3.22Å
528	F	98.8	Very high	97.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-41.3	169.7	-65.9	-53.2	0	0	0	111.5	I276 G286 G290 L292 T526 I530 H531 A532 H582 G583	I276-F528 HydrophobicContact CB-CE2 4.11Å; I276-F528 HydrophobicContact CD1-CD2 4.16Å; I276-F528 HydrophobicContact CD1-CE1 3.93Å; I276-F528 HydrophobicContact CD1-CE2 3.49Å; I276-F528 VanDerWaalsContact CD1-CE2 3.49Å; I276-F528 HydrophobicContact CD1-CZ 3.35Å; I276-F528 HydrophobicContact CG1-CE2 4.39Å; I276-F528 HydrophobicContact CG2-CD2 3.87Å; I276-F528 HydrophobicContact CG2-CE2 3.72Å; G286-F528 WeakPolarHBondContact O-CD1 3.36Å; G290-F528 WeakPolarHBondContact O-CD1 3.49Å; L292-F528 HydrophobicContact CD2-CE2 4.18Å; L292-F528 HydrophobicContact CD2-CZ 3.74Å; L292-F528 HydrophobicContact CG-CZ 3.96Å; T526-F528 PolarHBondContact O-N 2.96Å; T526-F528 WeakPolarHBondContact OG1-CB 3.22Å; T526-F528 PolarHBondContact OG1-N 2.76Å; F528-I530 VanDerWaalsContact C-N 3.29Å; F528-I530 PolarHBondContact O-N 3.24Å; F528-H531 VanDerWaalsContact O-CB 3.3Å; F528-H531 WeakPolarHBondContact O-CB 3.16Å; F528-H531 PolarHBondContact O-N 2.61Å; F528-A532 PolarHBondContact O-N 2.89Å; F528-H582 HydrophobicContact CB-CB 4.23Å; F528-H582 HydrophobicContact CD1-CB 4.07Å; F528-H582 HydrophobicContact CD2-CB 3.91Å; F528-H582 HydrophobicContact CE1-CB 4.36Å; F528-H582 AromaticContact CE1-CD2 3.86Å; F528-H582 HydrophobicContact CE2-CB 4.22Å; F528-H582 HydrophobicContact CG-CB 3.84Å; F528-H582 HydrophobicContact CZ-CB 4.44Å; F528-H582 AromaticContact CZ-CD2 3.71Å; F528-G583 VanDerWaalsContact C-CA 3.46Å; F528-G583 WeakPolarHBondContact O-CA 3.32Å
529	D	98.8	Very high	97.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.7	-35	179.5	-57.3	-48.4	0	0	0	111.4	I525 T526 L527 A532 T533 G583 L584 L586 R594	I525-D529 WeakPolarHBondContact CA-OD2 3.36Å; I525-D529 HydrophobicContact CB-CB 4.31Å; I525-D529 WeakPolarHBondContact CB-OD2 3.23Å; T526-D529 PolarHBondContact N-OD2 3.3Å; T526-D529 WeakPolarHBondContact O-CB 3.46Å; T526-D529 PolarHBondContact O-N 3.3Å; T526-D529 VanDerWaalsContact O-N 3.09Å; L527-D529 VanDerWaalsContact C-N 3.29Å; L527-D529 PolarHBondContact O-N 2.74Å; D529-A532 PolarHBondContact O-N 3.18Å; D529-T533 WeakPolarHBondContact O-CB 3.29Å; D529-T533 PolarHBondContact O-N 2.8Å; D529-T533 PolarHBondContact O-OG1 3.14Å; D529-G583 WeakPolarHBondContact OD1-CA 3.25Å; D529-L584 WeakPolarHBondContact CA-O 3.4Å; D529-L584 VanDerWaalsContact CB-O 3.24Å; D529-L584 WeakPolarHBondContact CB-O 3.37Å; D529-L584 PolarHBondContact OD1-N 2.84Å; D529-L586 HydrophobicContact CB-CD2 4.08Å; D529-L586 HydrophobicContact CB-CG 4.47Å; D529-R594 IonicContact OD1-CZ 2.72Å; D529-R594 IonicContact OD1-NH1 3.81Å; D529-R594 PolarHBondContact OD1-NH1 3.12Å; D529-R594 IonicContact OD1-NH2 2.87Å; D529-R594 PolarHBondContact OD1-NH2 3.36Å; D529-R594 IonicContact OD2-CZ 3.3Å; D529-R594 IonicContact OD2-NH1 3.71Å; D529-R594 PolarHBondContact OD2-NH1 3.02Å; D529-R594 IonicContact OD2-NH2 3.06Å
530	I	98.8	Very high	97.6	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-64.5	-44.9	172.2	-56.9	-57	0	0	0	110.8	L287 I471 M498 I500 I525 T526 L527 F528 A532 T533 L534 L586	L287-I530 HydrophobicContact CD1-CB 3.77Å; L287-I530 HydrophobicContact CD1-CG2 3.42Å; L287-I530 VanDerWaalsContact CD1-CG2 3.42Å; I471-I530 HydrophobicContact CD1-CD1 4.3Å; I471-I530 HydrophobicContact CD1-CG2 3.43Å; I471-I530 VanDerWaalsContact CD1-CG2 3.43Å; M498-I530 HydrophobicContact CE-CD1 4.24Å; M498-I530 HydrophobicContact CE-CG1 3.81Å; M498-I530 HydrophobicContact SD-CD1 3.83Å; M498-I530 HydrophobicContact SD-CG1 4.07Å; I500-I530 HydrophobicContact CD1-CD1 4.21Å; I525-I530 HydrophobicContact CD1-CD1 4.48Å; T526-I530 PolarHBondContact O-N 2.93Å; L527-I530 HydrophobicContact CD2-CG1 4.32Å; L527-I530 PolarHBondContact O-N 3.26Å; F528-I530 VanDerWaalsContact C-N 3.29Å; F528-I530 PolarHBondContact O-N 3.24Å; I530-A532 PolarHBondContact O-N 2.75Å; I530-T533 WeakPolarHBondContact O-CB 3.32Å; I530-T533 PolarHBondContact O-N 2.77Å; I530-L534 HydrophobicContact CG2-CD1 4.16Å; I530-L534 HydrophobicContact CG2-CG 4.41Å; I530-L534 WeakPolarHBondContact O-CG 3.46Å; I530-L534 PolarHBondContact O-N 3.37Å; I530-L586 HydrophobicContact CD1-CD1 3.61Å
531	H	98.9	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-54.8	-51.9	174	-178.9	94	0	0	0	111.7	L287 T289 G290 L527 F528 T533 L534 R535 S581	L287-H531 VanDerWaalsContact O-CB 3.25Å; L287-H531 WeakPolarHBondContact O-CB 3.32Å; L287-H531 PolarHBondContact O-ND1 2.65Å; T289-H531 PolarHBondContact O-CE1 2.83Å; G290-H531 VanDerWaalsContact CA-CD2 3.49Å; G290-H531 WeakPolarHBondContact CA-CD2 3.3Å; G290-H531 VanDerWaalsContact CA-CG 3.46Å; G290-H531 PolarHBondContact N-CE1 2.67Å; G290-H531 VanDerWaalsContact N-CE1 3.35Å; G290-H531 PolarHBondContact N-ND1 3.46Å; L527-H531 PolarHBondContact O-N 3.22Å; F528-H531 VanDerWaalsContact O-CB 3.3Å; F528-H531 WeakPolarHBondContact O-CB 3.16Å; F528-H531 PolarHBondContact O-N 2.61Å; H531-T533 VanDerWaalsContact C-N 3.29Å; H531-T533 PolarHBondContact O-N 3.11Å; H531-L534 PolarHBondContact O-N 3.14Å; H531-R535 WeakPolarHBondContact NE2-CD 3.31Å; H531-R535 PolarHBondContact NE2-NE 2.89Å; H531-R535 VanDerWaalsContact NE2-NE 3.11Å; H531-R535 PolarHBondContact O-N 3.35Å; H531-S581 PolarHBondContact CD2-OG 2.81Å
532	A	98.7	Very high	97.4	Very high	12 Å²	12	12.6 Å²	12.6	10%	0.099	7%	0.066	C	C	.	.	H	α-helix	trans	-60.2	-39.3	178.7	0	0	0	0	0	112	F528 D529 I530 R535 D536 G583	F528-A532 PolarHBondContact O-N 2.89Å; D529-A532 PolarHBondContact O-N 3.18Å; I530-A532 PolarHBondContact O-N 2.75Å; A532-R535 PolarHBondContact O-N 3.42Å; A532-D536 WeakPolarHBondContact O-CB 3.19Å; A532-D536 PolarHBondContact O-N 3.32Å; A532-G583 WeakPolarHBondContact CB-O 3.42Å
533	T	98.8	Very high	97.4	Very high	7 Å²	7	12.8 Å²	12.8	4%	0.043	6%	0.063	C	C	.	.	H	α-helix	trans	-64.1	-41.5	176.5	-54.5	0	0	0	0	112.2	D529 I530 H531 D536 L537 L586 F587	D529-T533 WeakPolarHBondContact O-CB 3.29Å; D529-T533 PolarHBondContact O-N 2.8Å; D529-T533 PolarHBondContact O-OG1 3.14Å; I530-T533 WeakPolarHBondContact O-CB 3.32Å; I530-T533 PolarHBondContact O-N 2.77Å; H531-T533 VanDerWaalsContact C-N 3.29Å; H531-T533 PolarHBondContact O-N 3.11Å; T533-D536 PolarHBondContact O-N 2.93Å; T533-L537 WeakPolarHBondContact O-CB 3.04Å; T533-L537 PolarHBondContact O-N 3.49Å; T533-L586 HydrophobicContact CG2-CB 4.22Å; T533-L586 WeakPolarHBondContact OG1-CB 3.01Å; T533-L586 WeakPolarHBondContact OG1-CG 3.4Å; T533-L586 PolarHBondContact OG1-N 3.33Å; T533-F587 HydrophobicContact CG2-CD1 3.76Å; T533-F587 HydrophobicContact CG2-CE1 3.5Å; T533-F587 VanDerWaalsContact CG2-CE1 3.5Å; T533-F587 HydrophobicContact CG2-CG 4.42Å; T533-F587 HydrophobicContact CG2-CZ 3.99Å
534	L	98.8	Very high	97.3	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-67.2	-41.3	177.3	-70.3	173.9	0	0	0	111.3	I236 L238 L287 I324 Y328 F413 I530 H531 D536 L537 L538	I236-L534 HydrophobicContact CD1-CD2 4.24Å; I236-L534 HydrophobicContact CG2-CD2 3.72Å; L238-L534 HydrophobicContact CD1-CD1 4.4Å; L238-L534 HydrophobicContact CD2-CD1 4.17Å; L287-L534 HydrophobicContact CD1-CD1 4.48Å; I324-L534 HydrophobicContact CD1-CB 3.41Å; I324-L534 VanDerWaalsContact CD1-CB 3.41Å; I324-L534 HydrophobicContact CD1-CD1 4.01Å; I324-L534 HydrophobicContact CD1-CG 4.37Å; Y328-L534 HydrophobicContact CE2-CB 4.09Å; Y328-L534 WeakPolarHBondContact OH-CA 3.37Å; Y328-L534 PolarHBondContact OH-O 3.11Å; F413-L534 HydrophobicContact CE2-CD1 4.45Å; I530-L534 HydrophobicContact CG2-CD1 4.16Å; I530-L534 HydrophobicContact CG2-CG 4.41Å; I530-L534 WeakPolarHBondContact O-CG 3.46Å; I530-L534 PolarHBondContact O-N 3.37Å; H531-L534 PolarHBondContact O-N 3.14Å; L534-D536 PolarHBondContact O-N 3.27Å; L534-L537 WeakPolarHBondContact O-CB 3.01Å; L534-L537 PolarHBondContact O-N 3.45Å; L534-L538 PolarHBondContact O-N 3.15Å
535	R	98.2	Very high	96.9	Very high	11 Å²	11	15 Å²	15	4%	0.042	7%	0.072	C	C	.	.	H	α-helix	trans	-56.9	-50	170.8	-85	-173.1	166.3	171.8	4.1	111.6	I324 E327 H531 A532 L537 L538 I539 W576 N579	I324-R535 HydrophobicContact CD1-CG 4.25Å; E327-R535 IonicContact OE1-CZ 2.71Å; E327-R535 IonicContact OE1-NE 3.2Å; E327-R535 PolarHBondContact OE1-NE 3.16Å; E327-R535 IonicContact OE1-NH2 3.9Å; E327-R535 PolarHBondContact OE1-NH2 3.26Å; E327-R535 IonicContact OE2-NE 3.71Å; E327-R535 PolarHBondContact OE2-NE 3.37Å; H531-R535 WeakPolarHBondContact NE2-CD 3.31Å; H531-R535 PolarHBondContact NE2-NE 2.89Å; H531-R535 VanDerWaalsContact NE2-NE 3.11Å; H531-R535 PolarHBondContact O-N 3.35Å; A532-R535 PolarHBondContact O-N 3.42Å; R535-L537 VanDerWaalsContact C-N 3.31Å; R535-L537 PolarHBondContact O-N 2.96Å; R535-L538 WeakPolarHBondContact O-CB 3.03Å; R535-L538 PolarHBondContact O-N 2.75Å; R535-I539 PolarHBondContact O-N 2.82Å; R535-I539 VanDerWaalsContact O-N 3.08Å; R535-W576 HydrophobicContact CB-CH2 3.82Å; R535-W576 HydrophobicContact CB-CZ2 3.43Å; R535-W576 VanDerWaalsContact CB-CZ2 3.43Å; R535-W576 HydrophobicContact CG-CZ2 3.71Å; R535-W576 VanDerWaalsContact CZ-CD1 3.45Å; R535-W576 VanDerWaalsContact NE-CD1 3.3Å; R535-W576 VanDerWaalsContact O-CH2 3.23Å; R535-W576 WeakPolarHBondContact O-CH2 3.39Å; R535-W576 WeakPolarHBondContact O-CZ2 3.5Å; R535-N579 PolarHBondContact NH1-O 3.16Å; R535-N579 PolarHBondContact NH2-O 3.4Å; R535-N579 VanDerWaalsContact NH2-O 3.12Å
536	D	97.7	Very high	96.4	Very high	44 Å²	44	16.1 Å²	16.1	24%	0.235	8%	0.078	C	C	.	.	H	α-helix	trans	-58.8	-40.3	176.4	-95.2	9.6	0	0	0	112.8	A532 T533 L534 I539 N540 S585 F587	A532-D536 WeakPolarHBondContact O-CB 3.19Å; A532-D536 PolarHBondContact O-N 3.32Å; T533-D536 PolarHBondContact O-N 2.93Å; L534-D536 PolarHBondContact O-N 3.27Å; D536-I539 VanDerWaalsContact O-CG2 3.22Å; D536-I539 WeakPolarHBondContact O-CG2 3.36Å; D536-N540 VanDerWaalsContact O-CB 3.23Å; D536-N540 WeakPolarHBondContact O-CB 3.41Å; D536-N540 PolarHBondContact O-N 3.42Å; D536-N540 PolarHBondContact O-ND2 3.49Å; D536-N540 VanDerWaalsContact O-ND2 3.08Å; D536-S585 WeakPolarHBondContact CB-OG 3.1Å; D536-S585 WeakPolarHBondContact OD2-CB 3.28Å; D536-S585 PolarHBondContact OD2-OG 3.39Å; D536-F587 HydrophobicContact CB-CD2 3.89Å; D536-F587 HydrophobicContact CB-CE2 4.16Å
537	L	98.1	Very high	95.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-62	-46.5	175.1	178.9	54.9	0	0	0	111.6	I236 L469 F506 W510 T533 L534 R535 N540 Q541 F587	I236-L537 HydrophobicContact CD1-CD2 3.51Å; L469-L537 HydrophobicContact CD2-CD2 3.66Å; F506-L537 HydrophobicContact CE2-CD1 4.17Å; W510-L537 HydrophobicContact CE3-CD1 4.3Å; W510-L537 HydrophobicContact CH2-CD1 3.35Å; W510-L537 HydrophobicContact CZ2-CD1 4.36Å; W510-L537 HydrophobicContact CZ3-CD1 3.33Å; T533-L537 WeakPolarHBondContact O-CB 3.04Å; T533-L537 PolarHBondContact O-N 3.49Å; L534-L537 WeakPolarHBondContact O-CB 3.01Å; L534-L537 PolarHBondContact O-N 3.45Å; R535-L537 VanDerWaalsContact C-N 3.31Å; R535-L537 PolarHBondContact O-N 2.96Å; L537-N540 PolarHBondContact O-N 3.42Å; L537-Q541 HydrophobicContact CD1-CG 4.02Å; L537-Q541 WeakPolarHBondContact O-CB 3.38Å; L537-Q541 WeakPolarHBondContact O-CG 3.49Å; L537-Q541 PolarHBondContact O-N 3.24Å; L537-Q541 VanDerWaalsContact O-N 3.07Å; L537-Q541 PolarHBondContact O-NE2 2.83Å; L537-F587 HydrophobicContact CB-CE2 3.94Å; L537-F587 HydrophobicContact CB-CZ 3.83Å; L537-F587 HydrophobicContact CD1-CE2 4.44Å; L537-F587 HydrophobicContact CD1-CZ 4.1Å; L537-F587 HydrophobicContact CG-CZ 4.42Å
538	L	97.8	Very high	95	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58	-52.2	178.1	-179.9	58.7	0	0	0	111.3	E327 Y328 L534 R535 N540 Q541 L542 L572	E327-L538 HydrophobicContact CB-CD2 4.17Å; Y328-L538 HydrophobicContact CD1-CD1 4.15Å; Y328-L538 HydrophobicContact CD2-CD2 4.1Å; Y328-L538 HydrophobicContact CE1-CB 4.33Å; Y328-L538 HydrophobicContact CE1-CD1 4.34Å; Y328-L538 HydrophobicContact CE2-CB 4.16Å; Y328-L538 HydrophobicContact CE2-CD2 4.4Å; Y328-L538 HydrophobicContact CG-CD1 4.45Å; Y328-L538 HydrophobicContact CG-CD2 4.32Å; L534-L538 PolarHBondContact O-N 3.15Å; R535-L538 WeakPolarHBondContact O-CB 3.03Å; R535-L538 PolarHBondContact O-N 2.75Å; L538-N540 PolarHBondContact O-N 2.89Å; L538-Q541 PolarHBondContact O-N 2.68Å; L538-L542 HydrophobicContact CD1-CD1 4.31Å; L538-L542 HydrophobicContact CG-CD1 4.31Å; L538-L542 WeakPolarHBondContact O-CG 3.49Å; L538-L542 PolarHBondContact O-N 3.43Å; L538-L542 VanDerWaalsContact O-N 3.13Å; L538-L572 HydrophobicContact CD2-CD1 4.33Å; L538-L572 HydrophobicContact CD2-CD2 4.36Å; L538-L572 HydrophobicContact CG-CD2 4.41Å
539	I	96.3	Very high	94	Very high	3 Å²	3	25 Å²	25	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-66.1	-40.1	-178	-175.5	57	0	0	0	112.6	R535 D536 Q541 L542 K543 I569 L572 Y573 W576	R535-I539 PolarHBondContact O-N 2.82Å; R535-I539 VanDerWaalsContact O-N 3.08Å; D536-I539 VanDerWaalsContact O-CG2 3.22Å; D536-I539 WeakPolarHBondContact O-CG2 3.36Å; I539-Q541 PolarHBondContact O-N 3.29Å; I539-L542 PolarHBondContact O-N 2.94Å; I539-K543 HydrophobicContact CD1-CD 4.45Å; I539-K543 HydrophobicContact CD1-CG 4.23Å; I539-K543 HydrophobicContact CG1-CD 4.19Å; I539-K543 HydrophobicContact CG1-CG 4.42Å; I539-K543 WeakPolarHBondContact O-CG 3.43Å; I539-K543 PolarHBondContact O-N 3.35Å; I539-I569 HydrophobicContact CD1-CB 4.2Å; I539-I569 HydrophobicContact CD1-CD1 4.46Å; I539-I569 HydrophobicContact CD1-CG1 3.84Å; I539-I569 HydrophobicContact CD1-CG2 3.67Å; I539-L572 HydrophobicContact CB-CD2 4.17Å; I539-L572 HydrophobicContact CD1-CD2 4.15Å; I539-Y573 HydrophobicContact CD1-CE2 4.26Å; I539-W576 HydrophobicContact CB-CH2 3.69Å; I539-W576 HydrophobicContact CB-CZ2 4.48Å; I539-W576 HydrophobicContact CB-CZ3 4.35Å; I539-W576 HydrophobicContact CG2-CH2 3.56Å; I539-W576 HydrophobicContact CG2-CZ3 4.09Å
540	N	95.5	Very high	92.8	Very high	51 Å²	51	27.7 Å²	27.7	27%	0.273	15%	0.145	S	C	.	.	H	α-helix	trans	-66.8	-38.3	-178.7	-74.3	-27.6	0	0	0	111.7	D536 L537 L538 Y544	D536-N540 VanDerWaalsContact O-CB 3.23Å; D536-N540 WeakPolarHBondContact O-CB 3.41Å; D536-N540 PolarHBondContact O-N 3.42Å; D536-N540 PolarHBondContact O-ND2 3.49Å; D536-N540 VanDerWaalsContact O-ND2 3.08Å; L537-N540 PolarHBondContact O-N 3.42Å; L538-N540 PolarHBondContact O-N 2.89Å; N540-Y544 VanDerWaalsContact O-CB 3.26Å; N540-Y544 WeakPolarHBondContact O-CB 3.45Å; N540-Y544 PolarHBondContact O-N 2.83Å
541	Q	94.6	Very high	91.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-43.2	172.1	-70.3	170.3	121.8	0	0	112.2	M233 Y234 Y334 W510 L537 L538 I539 Y544 N545	M233-Q541 VanDerWaalsContact CA-OE1 3.28Å; M233-Q541 HydrophobicContact CE-CB 4.33Å; M233-Q541 HydrophobicContact SD-CB 3.61Å; M233-Q541 HydrophobicContact SD-CG 4.19Å; Y234-Q541 HydrophobicContact CD2-CG 4.5Å; Y234-Q541 VanDerWaalsContact CD2-OE1 3.28Å; Y334-Q541 PolarHBondContact OH-NE2 2.7Å; Y334-Q541 PolarHBondContact OH-OE1 2.76Å; W510-Q541 HydrophobicContact CH2-CG 3.41Å; W510-Q541 VanDerWaalsContact CH2-CG 3.41Å; W510-Q541 HydrophobicContact CZ2-CG 3.75Å; L537-Q541 HydrophobicContact CD1-CG 4.02Å; L537-Q541 WeakPolarHBondContact O-CB 3.38Å; L537-Q541 WeakPolarHBondContact O-CG 3.49Å; L537-Q541 PolarHBondContact O-N 3.24Å; L537-Q541 VanDerWaalsContact O-N 3.07Å; L537-Q541 PolarHBondContact O-NE2 2.83Å; L538-Q541 PolarHBondContact O-N 2.68Å; I539-Q541 PolarHBondContact O-N 3.29Å; Q541-Y544 PolarHBondContact O-N 3.04Å; Q541-N545 WeakPolarHBondContact O-CB 3.46Å; Q541-N545 PolarHBondContact O-N 3.37Å; Q541-N545 PolarHBondContact O-ND2 3Å
542	L	93.9	Very high	90	Very high	24 Å²	24	38.4 Å²	38.4	13%	0.126	20%	0.202	C	C	.	.	H	α-helix	trans	-62.2	-46.8	178.4	-71.2	172.5	0	0	0	111.4	M233 L538 I539 N545 N546 I569 L572	M233-L542 HydrophobicContact CE-CD2 3.75Å; M233-L542 HydrophobicContact CE-CG 4.4Å; L538-L542 HydrophobicContact CD1-CD1 4.31Å; L538-L542 HydrophobicContact CG-CD1 4.31Å; L538-L542 WeakPolarHBondContact O-CG 3.49Å; L538-L542 PolarHBondContact O-N 3.43Å; L538-L542 VanDerWaalsContact O-N 3.13Å; I539-L542 PolarHBondContact O-N 2.94Å; L542-N545 PolarHBondContact O-N 3.49Å; L542-N546 WeakPolarHBondContact O-CB 3.11Å; L542-N546 PolarHBondContact O-N 2.97Å; L542-I569 HydrophobicContact CB-CD1 4.47Å; L542-I569 HydrophobicContact CB-CG1 4.3Å; L542-L572 HydrophobicContact CD1-CD2 4.25Å
543	K	93.8	Very high	88.3	Confident	79 Å²	79	41.2 Å²	41.2	34%	0.343	22%	0.216	S	C	.	.	H	α-helix	trans	-60.6	-47	175.5	-73	176.5	177.1	177.2	0	112.1	I539 N545 N546 N547 I569 Y573	I539-K543 HydrophobicContact CD1-CD 4.45Å; I539-K543 HydrophobicContact CD1-CG 4.23Å; I539-K543 HydrophobicContact CG1-CD 4.19Å; I539-K543 HydrophobicContact CG1-CG 4.42Å; I539-K543 WeakPolarHBondContact O-CG 3.43Å; I539-K543 PolarHBondContact O-N 3.35Å; K543-N545 VanDerWaalsContact C-N 3.35Å; K543-N545 PolarHBondContact O-N 2.96Å; K543-N546 WeakPolarHBondContact O-CB 3.34Å; K543-N546 PolarHBondContact O-N 2.91Å; K543-N547 PolarHBondContact O-N 3.45Å; K543-I569 HydrophobicContact CG-CD1 4.04Å; K543-Y573 WeakPolarHBondContact CE-OH 3.15Å; K543-Y573 PolarHBondContact NZ-OH 3.3Å
544	Y	92.1	Very high	86.5	Confident	73 Å²	73	48.8 Å²	48.8	29%	0.286	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-46.1	178.4	179	-98.2	0	0	0	112	L232 K509 N540 Q541 N546 N547 N548	L232-Y544 HydrophobicContact CB-CD1 3.93Å; L232-Y544 HydrophobicContact CB-CE1 3.79Å; L232-Y544 HydrophobicContact CD2-CD1 3.75Å; L232-Y544 HydrophobicContact CD2-CE1 3.45Å; L232-Y544 VanDerWaalsContact CD2-CE1 3.45Å; L232-Y544 HydrophobicContact CG-CD1 4.45Å; L232-Y544 HydrophobicContact CG-CE1 4.27Å; K509-Y544 PolarHBondContact NZ-OH 3.09Å; N540-Y544 VanDerWaalsContact O-CB 3.26Å; N540-Y544 WeakPolarHBondContact O-CB 3.45Å; N540-Y544 PolarHBondContact O-N 2.83Å; Q541-Y544 PolarHBondContact O-N 3.04Å; Y544-N546 VanDerWaalsContact C-N 3.32Å; Y544-N546 PolarHBondContact O-N 3.11Å; Y544-N547 PolarHBondContact O-N 2.88Å; Y544-N548 WeakPolarHBondContact CE1-ND2 3.23Å; Y544-N548 PolarHBondContact O-N 2.92Å; Y544-N548 VanDerWaalsContact O-N 3.09Å; Y544-N548 PolarHBondContact OH-ND2 2.78Å
545	N	89.7	Confident	84.7	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-34.3	178.2	-72.9	-40.8	0	0	0	112.6	K231 L232 Q541 L542 K543 N549	K231-N545 VanDerWaalsContact CA-OD1 3.3Å; K231-N545 WeakPolarHBondContact CA-OD1 3.34Å; K231-N545 HydrophobicContact CB-CB 4.47Å; K231-N545 HydrophobicContact CD-CB 4.49Å; K231-N545 HydrophobicContact CG-CB 4.26Å; L232-N545 PolarHBondContact N-OD1 3.24Å; L232-N545 PolarHBondContact O-ND2 2.03Å; Q541-N545 WeakPolarHBondContact O-CB 3.46Å; Q541-N545 PolarHBondContact O-N 3.37Å; Q541-N545 PolarHBondContact O-ND2 3Å; L542-N545 PolarHBondContact O-N 3.49Å; K543-N545 VanDerWaalsContact C-N 3.35Å; K543-N545 PolarHBondContact O-N 2.96Å; N545-N549 PolarHBondContact O-N 3.5Å; N545-N549 PolarHBondContact O-ND2 2.03Å
546	N	87.9	Confident	83	Confident	23 Å²	23	61.4 Å²	61.4	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-50.4	174.8	-170.4	22.1	0	0	0	111.4	L542 K543 Y544 N548 N549 S550 N562 S565	L542-N546 WeakPolarHBondContact O-CB 3.11Å; L542-N546 PolarHBondContact O-N 2.97Å; K543-N546 WeakPolarHBondContact O-CB 3.34Å; K543-N546 PolarHBondContact O-N 2.91Å; Y544-N546 VanDerWaalsContact C-N 3.32Å; Y544-N546 PolarHBondContact O-N 3.11Å; N546-N548 VanDerWaalsContact C-N 3.32Å; N546-N548 PolarHBondContact O-N 3.18Å; N546-N549 PolarHBondContact O-N 3.32Å; N546-N549 VanDerWaalsContact O-N 3.12Å; N546-S550 PolarHBondContact O-N 2.92Å; N546-S550 VanDerWaalsContact O-N 3.09Å; N546-N562 PolarHBondContact OD1-OD1 3.28Å; N546-S565 PolarHBondContact ND2-OG 2.79Å; N546-S565 PolarHBondContact OD1-OG 3.18Å
547	N	86.6	Confident	81.4	Confident	98 Å²	98	65.5 Å²	65.5	52%	0.524	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-40.8	-179.9	-68.6	-4.7	0	0	0	112.2	K543 Y544 N549 S550 N551	K543-N547 PolarHBondContact O-N 3.45Å; Y544-N547 PolarHBondContact O-N 2.88Å; N547-N549 PolarHBondContact O-N 3.18Å; N547-S550 WeakPolarHBondContact O-CB 3.08Å; N547-S550 PolarHBondContact O-N 3.4Å; N547-N551 PolarHBondContact O-N 3.11Å; N547-N551 VanDerWaalsContact O-N 3.16Å
548	N	82.2	Confident	79.6	Confident	53 Å²	53	66.4 Å²	66.4	28%	0.283	35%	0.351	S	S	.	.	H	α-helix	trans	-67.5	-31.1	177.2	-77.9	-20.2	0	0	0	113.9	Y544 N546 N552	Y544-N548 WeakPolarHBondContact CE1-ND2 3.23Å; Y544-N548 PolarHBondContact O-N 2.92Å; Y544-N548 VanDerWaalsContact O-N 3.09Å; Y544-N548 PolarHBondContact OH-ND2 2.78Å; N546-N548 VanDerWaalsContact C-N 3.32Å; N546-N548 PolarHBondContact O-N 3.18Å; N548-N552 PolarHBondContact O-ND2 2.94Å
549	N	76.4	Confident	78.1	Confident	36 Å²	36	69.9 Å²	69.9	19%	0.193	38%	0.375	C	S	.	.	H	α-helix	trans	-72.3	-33.8	174.4	-65.7	-26.4	0	0	0	111.2	N545 N546 N547 N558	N545-N549 PolarHBondContact O-N 3.5Å; N545-N549 PolarHBondContact O-ND2 2.03Å; N546-N549 PolarHBondContact O-N 3.32Å; N546-N549 VanDerWaalsContact O-N 3.12Å; N547-N549 PolarHBondContact O-N 3.18Å; N549-N558 PolarHBondContact O-ND2 3.37Å; N549-N558 VanDerWaalsContact O-ND2 3.07Å
550	S	74	Confident	77	Confident	58 Å²	58	75 Å²	75	41%	0.406	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-41.9	175.4	-164.3	0	0	0	0	112.1	N546 N547 N552	N546-S550 PolarHBondContact O-N 2.92Å; N546-S550 VanDerWaalsContact O-N 3.09Å; N547-S550 WeakPolarHBondContact O-CB 3.08Å; N547-S550 PolarHBondContact O-N 3.4Å; S550-N552 VanDerWaalsContact C-N 3.35Å; S550-N552 PolarHBondContact O-N 3.36Å
551	N	71.5	Confident	75.8	Confident	128 Å²	128	77.3 Å²	77.3	68%	0.684	42%	0.415	S	S	*	.	H	α-helix	trans	-73.9	-20.7	-176.2	-71.3	-8.3	0	0	0	114.6	N547	N547-N551 PolarHBondContact O-N 3.11Å; N547-N551 VanDerWaalsContact O-N 3.16Å
552	N	66.6	Low	74.9	Confident	97 Å²	97	78.8 Å²	78.8	52%	0.519	42%	0.423	S	S	.	.	H	α-helix	trans	-101.4	-10.2	-169.8	-74.2	-46	0	0	0	115.6	N548 S550	N548-N552 PolarHBondContact O-ND2 2.94Å; S550-N552 VanDerWaalsContact C-N 3.35Å; S550-N552 PolarHBondContact O-N 3.36Å
553	N	63.3	Low	74.4	Confident	72 Å²	72	82 Å²	82	39%	0.385	44%	0.44	S	S	.	.			trans	-139.9	113.2	-174	-67.5	-45.1	0	0	0	112.7	N555 N558	N553-N555 VanDerWaalsContact C-N 3.34Å; N553-N555 PolarHBondContact O-N 3.34Å; N553-N558 PolarHBondContact O-ND2 2.85Å
554	N	61.6	Low	74	Confident	166 Å²	166	82.9 Å²	82.9	89%	0.888	45%	0.449	S	S	*	.			trans	-89.2	30.2	174.5	-75.9	-12.3	0	0	0	114.1
555	N	60.7	Low	73.7	Confident	122 Å²	122	80.9 Å²	80.9	65%	0.652	45%	0.445	S	S	*	.	S	Bend	trans	-114	150.9	-175.6	-69.1	-2.3	0	0	0	112.9	N553 N557 N558	N553-N555 VanDerWaalsContact C-N 3.34Å; N553-N555 PolarHBondContact O-N 3.34Å; N555-N557 PolarHBondContact O-N 3.34Å; N555-N558 WeakPolarHBondContact O-CB 3.27Å; N555-N558 PolarHBondContact O-N 3.17Å
556	D	63.2	Low	73.7	Confident	154 Å²	154	84.3 Å²	84.3	82%	0.824	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-29.9	-176.4	-68.8	-30.1	0	0	0	115.7	N558 S559	D556-N558 PolarHBondContact O-N 3.05Å; D556-N558 VanDerWaalsContact O-N 3.08Å; D556-S559 PolarHBondContact O-N 3.17Å
557	N	62.9	Low	73.9	Confident	131 Å²	131	89.3 Å²	89.3	70%	0.701	48%	0.483	S	S	*	.	H	α-helix	trans	-61.4	-16.1	175.4	-75	-26	0	0	0	113.9	N555 N561	N555-N557 PolarHBondContact O-N 3.34Å; N557-N561 PolarHBondContact O-ND2 3.41Å
558	N	60.3	Low	74.2	Confident	20 Å²	20	86.5 Å²	86.5	11%	0.107	47%	0.47	C	S	.	.	H	α-helix	trans	-75.1	-31.2	179.8	-131.8	14.7	0	0	0	112.4	N549 N553 N555 D556 N560 N561 N562	N549-N558 PolarHBondContact O-ND2 3.37Å; N549-N558 VanDerWaalsContact O-ND2 3.07Å; N553-N558 PolarHBondContact O-ND2 2.85Å; N555-N558 WeakPolarHBondContact O-CB 3.27Å; N555-N558 PolarHBondContact O-N 3.17Å; D556-N558 PolarHBondContact O-N 3.05Å; D556-N558 VanDerWaalsContact O-N 3.08Å; N558-N560 PolarHBondContact O-N 3.12Å; N558-N561 PolarHBondContact O-N 2.03Å; N558-N562 WeakPolarHBondContact O-CB 3.31Å; N558-N562 VanDerWaalsContact O-CG 3.3Å; N558-N562 PolarHBondContact O-N 3.43Å
559	S	67.6	Low	74.7	Confident	72 Å²	72	84.8 Å²	84.8	50%	0.503	46%	0.461	S	S	.	.	H	α-helix	trans	-61.3	-46.8	-178.2	-175.1	0	0	0	0	111.9	D556 N562 N563	D556-S559 PolarHBondContact O-N 3.17Å; S559-N562 PolarHBondContact O-N 2.87Å; S559-N563 WeakPolarHBondContact O-CB 3.37Å; S559-N563 VanDerWaalsContact O-CG 3.22Å; S559-N563 PolarHBondContact O-N 2.64Å; S559-N563 PolarHBondContact O-ND2 3.48Å
560	N	71.7	Confident	75.7	Confident	111 Å²	111	87.3 Å²	87.3	59%	0.594	47%	0.474	S	S	*	.	H	α-helix	trans	-65.4	-40.7	177.4	-76.5	-16.6	0	0	0	113.1	N558 N564	N558-N560 PolarHBondContact O-N 3.12Å; N560-N564 PolarHBondContact O-N 2.93Å; N560-N564 PolarHBondContact O-ND2 3.1Å
561	N	71.8	Confident	76.7	Confident	100 Å²	100	88.9 Å²	88.9	54%	0.535	48%	0.475	S	S	.	.	H	α-helix	trans	-67.6	-41.8	178.9	-78.4	-28.6	0	0	0	112.2	N557 N558 N564 S565	N557-N561 PolarHBondContact O-ND2 3.41Å; N558-N561 PolarHBondContact O-N 2.03Å; N561-N564 PolarHBondContact O-N 2.58Å; N561-S565 PolarHBondContact O-N 3.48Å
562	N	75.8	Confident	77.9	Confident	31 Å²	31	82.8 Å²	82.8	17%	0.166	44%	0.442	C	S	.	.	H	α-helix	trans	-63.6	-45.6	176.5	-73.5	-3.1	0	0	0	110.6	N546 N558 S559 N564 S565 I566	N546-N562 PolarHBondContact OD1-OD1 3.28Å; N558-N562 WeakPolarHBondContact O-CB 3.31Å; N558-N562 VanDerWaalsContact O-CG 3.3Å; N558-N562 PolarHBondContact O-N 3.43Å; S559-N562 PolarHBondContact O-N 2.87Å; N562-N564 VanDerWaalsContact C-N 3.33Å; N562-N564 PolarHBondContact O-N 2.83Å; N562-S565 PolarHBondContact O-N 2.79Å; N562-S565 VanDerWaalsContact O-N 3.14Å; N562-S565 PolarHBondContact O-OG 3.26Å; N562-I566 WeakPolarHBondContact O-CG1 3.18Å; N562-I566 PolarHBondContact O-N 3.15Å
563	N	82.9	Confident	79.3	Confident	91 Å²	91	82.1 Å²	82.1	49%	0.487	43%	0.433	S	S	.	.	H	α-helix	trans	-57.3	-44	175.8	-74.8	-19.1	0	0	0	112.4	S559 I566 K567	S559-N563 WeakPolarHBondContact O-CB 3.37Å; S559-N563 VanDerWaalsContact O-CG 3.22Å; S559-N563 PolarHBondContact O-N 2.64Å; S559-N563 PolarHBondContact O-ND2 3.48Å; N563-I566 PolarHBondContact O-N 2.67Å; N563-K567 WeakPolarHBondContact O-CB 3.41Å; N563-K567 PolarHBondContact O-N 2.93Å
564	N	85	Confident	80.9	Confident	98 Å²	98	84.1 Å²	84.1	52%	0.524	44%	0.441	S	S	.	.	H	α-helix	trans	-63.1	-43.7	176	-75.6	-23.7	0	0	0	112	N560 N561 N562 I566 K567 T568	N560-N564 PolarHBondContact O-N 2.93Å; N560-N564 PolarHBondContact O-ND2 3.1Å; N561-N564 PolarHBondContact O-N 2.58Å; N562-N564 VanDerWaalsContact C-N 3.33Å; N562-N564 PolarHBondContact O-N 2.83Å; N564-I566 PolarHBondContact O-N 2.96Å; N564-K567 WeakPolarHBondContact O-CB 3.34Å; N564-K567 PolarHBondContact O-N 3.32Å; N564-T568 PolarHBondContact O-N 3.25Å; N564-T568 PolarHBondContact O-OG1 3.04Å
565	S	85.9	Confident	82.6	Confident	31 Å²	31	77.8 Å²	77.8	22%	0.217	41%	0.407	C	S	.	.	H	α-helix	trans	-64.9	-39.7	179.2	73.9	0	0	0	0	113.3	N546 N561 N562 K567 T568 I569	N546-S565 PolarHBondContact ND2-OG 2.79Å; N546-S565 PolarHBondContact OD1-OG 3.18Å; N561-S565 PolarHBondContact O-N 3.48Å; N562-S565 PolarHBondContact O-N 2.79Å; N562-S565 VanDerWaalsContact O-N 3.14Å; N562-S565 PolarHBondContact O-OG 3.26Å; S565-K567 VanDerWaalsContact C-N 3.35Å; S565-T568 WeakPolarHBondContact O-CB 3.01Å; S565-T568 PolarHBondContact O-N 2.72Å; S565-I569 WeakPolarHBondContact O-CG1 3.18Å; S565-I569 PolarHBondContact O-N 2.77Å
566	I	89.2	Confident	84.3	Confident	78 Å²	78	73.8 Å²	73.8	40%	0.4	38%	0.383	S	S	.	.	H	α-helix	trans	-65.5	-41.8	175.7	-67.6	165.4	0	0	0	109.8	N562 N563 N564 T568 I569 N570	N562-I566 WeakPolarHBondContact O-CG1 3.18Å; N562-I566 PolarHBondContact O-N 3.15Å; N563-I566 PolarHBondContact O-N 2.67Å; N564-I566 PolarHBondContact O-N 2.96Å; I566-T568 PolarHBondContact O-N 3.31Å; I566-I569 PolarHBondContact O-N 3.02Å; I566-N570 WeakPolarHBondContact O-CB 3.42Å; I566-N570 VanDerWaalsContact O-CG 3.31Å; I566-N570 PolarHBondContact O-N 3.34Å; I566-N570 PolarHBondContact O-ND2 3.34Å
567	K	92.6	Very high	85.9	Confident	128 Å²	128	74.1 Å²	74.1	56%	0.557	38%	0.377	S	S	*	.	H	α-helix	trans	-59.5	-45.6	174.4	-175.3	178.1	178.4	-179.4	0	111.6	N563 N564 S565 I569 N570 Q571	N563-K567 WeakPolarHBondContact O-CB 3.41Å; N563-K567 PolarHBondContact O-N 2.93Å; N564-K567 WeakPolarHBondContact O-CB 3.34Å; N564-K567 PolarHBondContact O-N 3.32Å; S565-K567 VanDerWaalsContact C-N 3.35Å; K567-I569 PolarHBondContact O-N 2.99Å; K567-N570 PolarHBondContact O-N 2.97Å; K567-Q571 WeakPolarHBondContact O-CB 3.23Å; K567-Q571 VanDerWaalsContact O-CG 3.29Å; K567-Q571 WeakPolarHBondContact O-CG 3.39Å; K567-Q571 PolarHBondContact O-N 3Å
568	T	92.3	Very high	87.5	Confident	39 Å²	39	75.1 Å²	75.1	24%	0.239	38%	0.38	C	S	.	.	H	α-helix	trans	-58.8	-46.4	175.6	-57.6	0	0	0	0	111.6	Y331 N564 S565 I566 N570 Q571 L572	Y331-T568 HydrophobicContact CD1-CG2 3.77Å; Y331-T568 HydrophobicContact CG-CG2 4.45Å; N564-T568 PolarHBondContact O-N 3.25Å; N564-T568 PolarHBondContact O-OG1 3.04Å; S565-T568 WeakPolarHBondContact O-CB 3.01Å; S565-T568 PolarHBondContact O-N 2.72Å; I566-T568 PolarHBondContact O-N 3.31Å; T568-N570 PolarHBondContact O-N 2.77Å; T568-Q571 PolarHBondContact O-N 3.44Å; T568-L572 PolarHBondContact O-N 3.17Å
569	I	94.4	Very high	89.2	Confident	18 Å²	18	76 Å²	76	9%	0.092	38%	0.384	C	S	.	.	H	α-helix	trans	-62	-44.2	177.8	-73.5	168.7	0	0	0	111.4	I539 L542 K543 S565 I566 K567 L572 Y573	I539-I569 HydrophobicContact CD1-CB 4.2Å; I539-I569 HydrophobicContact CD1-CD1 4.46Å; I539-I569 HydrophobicContact CD1-CG1 3.84Å; I539-I569 HydrophobicContact CD1-CG2 3.67Å; L542-I569 HydrophobicContact CB-CD1 4.47Å; L542-I569 HydrophobicContact CB-CG1 4.3Å; K543-I569 HydrophobicContact CG-CD1 4.04Å; S565-I569 WeakPolarHBondContact O-CG1 3.18Å; S565-I569 PolarHBondContact O-N 2.77Å; I566-I569 PolarHBondContact O-N 3.02Å; K567-I569 PolarHBondContact O-N 2.99Å; I569-L572 PolarHBondContact O-N 3.06Å; I569-Y573 HydrophobicContact CG2-CD2 3.76Å; I569-Y573 HydrophobicContact CG2-CE2 3.52Å; I569-Y573 VanDerWaalsContact O-CD2 3.29Å; I569-Y573 WeakPolarHBondContact O-CD2 3Å; I569-Y573 PolarHBondContact O-N 2.87Å
570	N	95.7	Very high	90.5	Very high	88 Å²	88	76 Å²	76	47%	0.471	38%	0.383	S	S	.	.	H	α-helix	trans	-65.1	-39.8	178.2	-72.2	-19	0	0	0	111.9	I566 K567 T568 Y573 M574	I566-N570 WeakPolarHBondContact O-CB 3.42Å; I566-N570 VanDerWaalsContact O-CG 3.31Å; I566-N570 PolarHBondContact O-N 3.34Å; I566-N570 PolarHBondContact O-ND2 3.34Å; K567-N570 PolarHBondContact O-N 2.97Å; T568-N570 PolarHBondContact O-N 2.77Å; N570-Y573 PolarHBondContact O-N 3.19Å; N570-M574 WeakPolarHBondContact O-CG 3.44Å; N570-M574 PolarHBondContact O-N 3.25Å
571	Q	96	Very high	91.8	Very high	91 Å²	91	72.5 Å²	72.5	43%	0.425	37%	0.367	S	S	.	.	H	α-helix	trans	-62.3	-42.5	174.4	-74.3	173	-33.8	0	0	111.6	Y331 K567 T568 Y573 M574 N575	Y331-Q571 HydrophobicContact CE1-CB 3.86Å; K567-Q571 WeakPolarHBondContact O-CB 3.23Å; K567-Q571 VanDerWaalsContact O-CG 3.29Å; K567-Q571 WeakPolarHBondContact O-CG 3.39Å; K567-Q571 PolarHBondContact O-N 3Å; T568-Q571 PolarHBondContact O-N 3.44Å; Q571-Y573 PolarHBondContact O-N 2.82Å; Q571-M574 PolarHBondContact O-N 3.45Å; Q571-N575 PolarHBondContact O-N 2.83Å
572	L	95.7	Very high	93	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.1	-45.2	175	-175.5	67.5	0	0	0	111.5	Y331 L538 I539 L542 T568 I569 M574 N575 W576	Y331-L572 HydrophobicContact CD1-CB 4.22Å; Y331-L572 HydrophobicContact CD2-CD1 3.46Å; Y331-L572 VanDerWaalsContact CD2-CD1 3.46Å; Y331-L572 HydrophobicContact CE1-CB 4.37Å; Y331-L572 HydrophobicContact CE2-CD1 3.76Å; Y331-L572 HydrophobicContact CG-CB 4.34Å; Y331-L572 HydrophobicContact CG-CD1 3.9Å; L538-L572 HydrophobicContact CD2-CD1 4.33Å; L538-L572 HydrophobicContact CD2-CD2 4.36Å; L538-L572 HydrophobicContact CG-CD2 4.41Å; I539-L572 HydrophobicContact CB-CD2 4.17Å; I539-L572 HydrophobicContact CD1-CD2 4.15Å; L542-L572 HydrophobicContact CD1-CD2 4.25Å; T568-L572 PolarHBondContact O-N 3.17Å; I569-L572 PolarHBondContact O-N 3.06Å; L572-M574 VanDerWaalsContact C-N 3.33Å; L572-M574 PolarHBondContact O-N 2.87Å; L572-N575 WeakPolarHBondContact O-CB 3.26Å; L572-N575 PolarHBondContact O-N 2.61Å; L572-W576 HydrophobicContact CD1-CZ2 4.1Å; L572-W576 HydrophobicContact CD2-CH2 4.23Å; L572-W576 HydrophobicContact CD2-CZ2 3.72Å; L572-W576 HydrophobicContact CG-CD2 4.36Å; L572-W576 HydrophobicContact CG-CZ2 3.83Å; L572-W576 PolarHBondContact O-N 2.86Å
573	Y	97	Very high	94.1	Very high	83 Å²	83	68 Å²	68	33%	0.325	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-37.8	175.3	-79.3	-54	0	0	0	113.4	I539 K543 I569 N570 Q571 W576 K577	I539-Y573 HydrophobicContact CD1-CE2 4.26Å; K543-Y573 WeakPolarHBondContact CE-OH 3.15Å; K543-Y573 PolarHBondContact NZ-OH 3.3Å; I569-Y573 HydrophobicContact CG2-CD2 3.76Å; I569-Y573 HydrophobicContact CG2-CE2 3.52Å; I569-Y573 VanDerWaalsContact O-CD2 3.29Å; I569-Y573 WeakPolarHBondContact O-CD2 3Å; I569-Y573 PolarHBondContact O-N 2.87Å; N570-Y573 PolarHBondContact O-N 3.19Å; Q571-Y573 PolarHBondContact O-N 2.82Å; Y573-W576 HydrophobicContact CD1-CE3 4.02Å; Y573-W576 HydrophobicContact CD1-CZ3 4.33Å; Y573-W576 HydrophobicContact CE1-CE3 4.19Å; Y573-W576 HydrophobicContact CE1-CZ3 4.06Å; Y573-W576 PolarHBondContact O-N 2.92Å; Y573-K577 WeakPolarHBondContact O-CG 3.48Å; Y573-K577 PolarHBondContact O-N 2.86Å; Y573-K577 VanDerWaalsContact O-N 3.09Å
574	M	96.9	Very high	94.8	Very high	114 Å²	114	67.3 Å²	67.3	56%	0.562	34%	0.341	S	S	*	.	H	α-helix	trans	-66	-41.1	174	-67.7	-58.9	-173.7	0	0	111.3	N570 Q571 L572 W576 K577 M578	N570-M574 WeakPolarHBondContact O-CG 3.44Å; N570-M574 PolarHBondContact O-N 3.25Å; Q571-M574 PolarHBondContact O-N 3.45Å; L572-M574 VanDerWaalsContact C-N 3.33Å; L572-M574 PolarHBondContact O-N 2.87Å; M574-W576 VanDerWaalsContact C-N 3.33Å; M574-W576 PolarHBondContact O-N 2.82Å; M574-K577 PolarHBondContact O-N 3.41Å; M574-K577 HydrophobicContact SD-CD 4.25Å; M574-M578 WeakPolarHBondContact O-CG 3.38Å; M574-M578 PolarHBondContact O-N 2.79Å; M574-M578 VanDerWaalsContact O-N 3.11Å
575	N	96.3	Very high	95.4	Very high	33 Å²	33	63.1 Å²	63.1	18%	0.176	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-42.6	175.2	-177.7	61	0	0	0	112	E327 Q571 L572 K577 M578 N579	E327-N575 PolarHBondContact OE1-ND2 3.39Å; Q571-N575 PolarHBondContact O-N 2.83Å; L572-N575 WeakPolarHBondContact O-CB 3.26Å; L572-N575 PolarHBondContact O-N 2.61Å; N575-K577 PolarHBondContact O-N 3.18Å; N575-M578 PolarHBondContact O-N 3.25Å; N575-N579 PolarHBondContact O-N 2.86Å; N575-N579 PolarHBondContact O-ND2 3.26Å; N575-N579 PolarHBondContact OD1-ND2 3.08Å; N575-N579 VanDerWaalsContact OD1-ND2 3.07Å
576	W	97	Very high	96	Very high	38 Å²	38	61.6 Å²	61.6	14%	0.144	31%	0.309	C	S	.	.	H	α-helix	trans	-69.5	-30	177.3	-64.8	-9.5	0	0	0	113.8	E327 R535 I539 L572 Y573 M574 M578 N579	E327-W576 PolarHBondContact OE2-NE1 3.23Å; R535-W576 HydrophobicContact CB-CH2 3.82Å; R535-W576 HydrophobicContact CB-CZ2 3.43Å; R535-W576 VanDerWaalsContact CB-CZ2 3.43Å; R535-W576 HydrophobicContact CG-CZ2 3.71Å; R535-W576 VanDerWaalsContact CZ-CD1 3.45Å; R535-W576 VanDerWaalsContact NE-CD1 3.3Å; R535-W576 VanDerWaalsContact O-CH2 3.23Å; R535-W576 WeakPolarHBondContact O-CH2 3.39Å; R535-W576 WeakPolarHBondContact O-CZ2 3.5Å; I539-W576 HydrophobicContact CB-CH2 3.69Å; I539-W576 HydrophobicContact CB-CZ2 4.48Å; I539-W576 HydrophobicContact CB-CZ3 4.35Å; I539-W576 HydrophobicContact CG2-CH2 3.56Å; I539-W576 HydrophobicContact CG2-CZ3 4.09Å; L572-W576 HydrophobicContact CD1-CZ2 4.1Å; L572-W576 HydrophobicContact CD2-CH2 4.23Å; L572-W576 HydrophobicContact CD2-CZ2 3.72Å; L572-W576 HydrophobicContact CG-CD2 4.36Å; L572-W576 HydrophobicContact CG-CZ2 3.83Å; L572-W576 PolarHBondContact O-N 2.86Å; Y573-W576 HydrophobicContact CD1-CE3 4.02Å; Y573-W576 HydrophobicContact CD1-CZ3 4.33Å; Y573-W576 HydrophobicContact CE1-CE3 4.19Å; Y573-W576 HydrophobicContact CE1-CZ3 4.06Å; Y573-W576 PolarHBondContact O-N 2.92Å; M574-W576 VanDerWaalsContact C-N 3.33Å; M574-W576 PolarHBondContact O-N 2.82Å; W576-M578 VanDerWaalsContact C-N 3.3Å; W576-N579 CarbonylContact O-C 3.59Å; W576-N579 VanDerWaalsContact O-C 3.24Å; W576-N579 PolarHBondContact O-N 3.03Å
577	K	96.7	Very high	96.5	Very high	161 Å²	161	58.2 Å²	58.2	70%	0.7	29%	0.291	S	S	*	.	H	α-helix	trans	-67	-34.1	171.4	-74.1	176.5	-179.5	-176.1	0	112.1	Y573 M574 N575	Y573-K577 WeakPolarHBondContact O-CG 3.48Å; Y573-K577 PolarHBondContact O-N 2.86Å; Y573-K577 VanDerWaalsContact O-N 3.09Å; M574-K577 PolarHBondContact O-N 3.41Å; M574-K577 HydrophobicContact SD-CD 4.25Å; N575-K577 PolarHBondContact O-N 3.18Å
578	M	95.9	Very high	96.7	Very high	152 Å²	152	56.8 Å²	56.8	75%	0.749	29%	0.29	S	S	*	.	H	α-helix	trans	-78.4	-31.5	176.8	-66.3	-179.5	71.2	0	0	112.3	M574 N575 W576 P580	M574-M578 WeakPolarHBondContact O-CG 3.38Å; M574-M578 PolarHBondContact O-N 2.79Å; M574-M578 VanDerWaalsContact O-N 3.11Å; N575-M578 PolarHBondContact O-N 3.25Å; W576-M578 VanDerWaalsContact C-N 3.3Å; M578-P580 WeakPolarHBondContact O-CD 3.24Å
579	N	96.4	Very high	96.9	Very high	38 Å²	38	60 Å²	60	20%	0.203	30%	0.302	C	S	.	.	S	Bend	trans	-123.9	74.9	-177.4	-56.3	-67.3	0	0	0	109.4	P322 R535 N575 W576	P322-N579 HydrophobicContact CB-CB 3.73Å; P322-N579 VanDerWaalsContact CB-CG 3.46Å; P322-N579 HydrophobicContact CG-CB 4.1Å; R535-N579 PolarHBondContact NH1-O 3.16Å; R535-N579 PolarHBondContact NH2-O 3.4Å; R535-N579 VanDerWaalsContact NH2-O 3.12Å; N575-N579 PolarHBondContact O-N 2.86Å; N575-N579 PolarHBondContact O-ND2 3.26Å; N575-N579 PolarHBondContact OD1-ND2 3.08Å; N575-N579 VanDerWaalsContact OD1-ND2 3.07Å; W576-N579 CarbonylContact O-C 3.59Å; W576-N579 VanDerWaalsContact O-C 3.24Å; W576-N579 PolarHBondContact O-N 3.03Å
580	P	96.2	Very high	97.1	Very high	74 Å²	74	59.2 Å²	59.2	48%	0.481	30%	0.298	S	S	.	.			trans	-63.4	159.6	-178.5	29.1	-35.7	0	0	0	111.3	Q291 M578	Q291-P580 VanDerWaalsContact CG-O 3.26Å; Q291-P580 WeakPolarHBondContact CG-O 3.22Å; M578-P580 WeakPolarHBondContact O-CD 3.24Å
581	S	97.3	Very high	97	Very high	36 Å²	36	57.8 Å²	57.8	25%	0.252	29%	0.293	S	S	.	.			trans	-120.8	144.2	174.5	179.2	0	0	0	0	110.6	G290 H531 G583	G290-S581 VanDerWaalsContact O-CA 3.27Å; G290-S581 WeakPolarHBondContact O-CA 3.39Å; G290-S581 PolarHBondContact O-OG 3.09Å; H531-S581 PolarHBondContact CD2-OG 2.81Å; S581-G583 VanDerWaalsContact C-N 3.26Å; S581-G583 PolarHBondContact OG-N 2.85Å
582	H	97.9	Very high	96.7	Very high	24 Å²	24	56.8 Å²	56.8	11%	0.111	29%	0.29	C	S	.	.	S	Bend	trans	-77.5	-8.9	174.6	-65.8	-45.1	0	0	0	114.5	G290 E295 F528 Y600	G290-H582 PolarHBondContact O-N 3.39Å; E295-H582 IonicContact OE1-CE1 3.46Å; E295-H582 PolarHBondContact OE1-CE1 3.23Å; E295-H582 IonicContact OE1-NE2 3.66Å; E295-H582 PolarHBondContact OE1-NE2 2.87Å; E295-H582 VanDerWaalsContact OE1-NE2 3.1Å; E295-H582 IonicContact OE2-CD2 2.83Å; E295-H582 IonicContact OE2-CE1 3.67Å; E295-H582 IonicContact OE2-NE2 3.44Å; E295-H582 PolarHBondContact OE2-NE2 2.81Å; F528-H582 HydrophobicContact CB-CB 4.23Å; F528-H582 HydrophobicContact CD1-CB 4.07Å; F528-H582 HydrophobicContact CD2-CB 3.91Å; F528-H582 HydrophobicContact CE1-CB 4.36Å; F528-H582 AromaticContact CE1-CD2 3.86Å; F528-H582 HydrophobicContact CE2-CB 4.22Å; F528-H582 HydrophobicContact CG-CB 3.84Å; F528-H582 HydrophobicContact CZ-CB 4.44Å; F528-H582 AromaticContact CZ-CD2 3.71Å; H582-Y600 HydrophobicContact CB-CD1 4.34Å; H582-Y600 HydrophobicContact CB-CD2 3.58Å; H582-Y600 HydrophobicContact CB-CE2 3.85Å; H582-Y600 HydrophobicContact CB-CG 3.83Å; H582-Y600 AromaticContact CE1-CD1 3.67Å; H582-Y600 AromaticContact CE1-CE1 3.32Å; H582-Y600 WeakPolarHBondContact CE1-CE1 3.19Å; H582-Y600 AromaticContact CE1-CZ 3.81Å; H582-Y600 AromaticContact CG-CD1 3.76Å; H582-Y600 AromaticContact CG-CD2 3.87Å; H582-Y600 AromaticContact CG-CE1 3.87Å; H582-Y600 AromaticContact CG-CE2 3.96Å; H582-Y600 AromaticContact CG-CG 3.75Å; H582-Y600 AromaticContact CG-CZ 3.95Å; H582-Y600 AromaticContact ND1-CD1 3.55Å; H582-Y600 AromaticContact ND1-CD2 3.98Å; H582-Y600 AromaticContact ND1-CE1 3.17Å; H582-Y600 WeakPolarHBondContact ND1-CE1 3.43Å; H582-Y600 AromaticContact ND1-CE2 3.62Å; H582-Y600 AromaticContact ND1-CG 3.93Å; H582-Y600 AromaticContact ND1-CZ 3.2Å; H582-Y600 AromaticContact NE2-CD1 3.91Å
583	G	97.9	Very high	96.5	Very high	13 Å²	13	60.1 Å²	60.1	13%	0.134	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-86.5	152.8	-172.3	0	0	0	0	0	114.4	F528 D529 A532 S581	F528-G583 VanDerWaalsContact C-CA 3.46Å; F528-G583 WeakPolarHBondContact O-CA 3.32Å; D529-G583 WeakPolarHBondContact OD1-CA 3.25Å; A532-G583 WeakPolarHBondContact CB-O 3.42Å; S581-G583 VanDerWaalsContact C-N 3.26Å; S581-G583 PolarHBondContact OG-N 2.85Å
584	L	98.3	Very high	96.3	Very high	77 Å²	77	56.4 Å²	56.4	40%	0.403	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-101.9	129.2	164.8	-59.9	-179.4	0	0	0	109.1	D529 L586 I590	D529-L584 WeakPolarHBondContact CA-O 3.4Å; D529-L584 VanDerWaalsContact CB-O 3.24Å; D529-L584 WeakPolarHBondContact CB-O 3.37Å; D529-L584 PolarHBondContact OD1-N 2.84Å; L584-L586 PolarHBondContact O-N 3.01Å; L584-I590 HydrophobicContact CB-CD1 3.54Å; L584-I590 HydrophobicContact CD1-CD1 4.28Å
585	S	98.5	Very high	96.1	Very high	9 Å²	9	54 Å²	54	6%	0.063	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-63.8	129.8	177.9	172.7	0	0	0	0	111.9	D536 F587 N588	D536-S585 WeakPolarHBondContact CB-OG 3.1Å; D536-S585 WeakPolarHBondContact OD2-CB 3.28Å; D536-S585 PolarHBondContact OD2-OG 3.39Å; S585-F587 PolarHBondContact O-N 3.32Å; S585-F587 VanDerWaalsContact O-N 3.14Å; S585-F587 WeakPolarHBondContact OG-CB 3.05Å; S585-F587 PolarHBondContact OG-N 2.79Å; S585-N588 PolarHBondContact O-N 3.43Å
586	L	98.6	Very high	96.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-7.2	177.8	-57.6	-177.4	0	0	0	113.1	M270 I500 M517 N520 I525 D529 I530 T533 L584 N588 I590	M270-L586 HydrophobicContact CE-CD1 3.75Å; M270-L586 HydrophobicContact CE-CD2 4.28Å; I500-L586 HydrophobicContact CD1-CD1 3.88Å; M517-L586 HydrophobicContact CG-CB 3.92Å; M517-L586 WeakPolarHBondContact CG-O 3.49Å; M517-L586 PolarHBondContact N-O 2.87Å; N520-L586 HydrophobicContact CB-CD2 4.44Å; N520-L586 PolarHBondContact ND2-O 3.41Å; N520-L586 VanDerWaalsContact ND2-O 3.11Å; I525-L586 HydrophobicContact CB-CD2 4.38Å; I525-L586 HydrophobicContact CD1-CD1 4.33Å; I525-L586 HydrophobicContact CG2-CD2 3.62Å; D529-L586 HydrophobicContact CB-CD2 4.08Å; D529-L586 HydrophobicContact CB-CG 4.47Å; I530-L586 HydrophobicContact CD1-CD1 3.61Å; T533-L586 HydrophobicContact CG2-CB 4.22Å; T533-L586 WeakPolarHBondContact OG1-CB 3.01Å; T533-L586 WeakPolarHBondContact OG1-CG 3.4Å; T533-L586 PolarHBondContact OG1-N 3.33Å; L584-L586 PolarHBondContact O-N 3.01Å; L586-N588 CarbonylContact C-O 3.53Å; L586-N588 PolarHBondContact O-N 2.54Å; L586-I590 HydrophobicContact CD2-CD1 4.09Å; L586-I590 HydrophobicContact CD2-CG1 3.93Å
587	F	98.4	Very high	96	Very high	7 Å²	7	56.8 Å²	56.8	3%	0.031	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.3	169.5	-68.8	-4.8	0	0	0	112.6	F506 Q513 N516 M517 T533 D536 L537 S585	F506-F587 HydrophobicContact CE2-CE1 4.28Å; F506-F587 HydrophobicContact CE2-CZ 4.14Å; F506-F587 AromaticContact CZ-CE1 3.66Å; F506-F587 HydrophobicContact CZ-CE1 3.66Å; F506-F587 AromaticContact CZ-CZ 3.94Å; F506-F587 HydrophobicContact CZ-CZ 3.94Å; Q513-F587 HydrophobicContact CB-CB 4.03Å; Q513-F587 HydrophobicContact CB-CD1 3.78Å; Q513-F587 HydrophobicContact CB-CD2 4.46Å; Q513-F587 HydrophobicContact CB-CE1 4.38Å; Q513-F587 HydrophobicContact CB-CG 3.84Å; Q513-F587 HydrophobicContact CG-CB 3.73Å; Q513-F587 HydrophobicContact CG-CD1 4.19Å; Q513-F587 HydrophobicContact CG-CD2 3.98Å; Q513-F587 HydrophobicContact CG-CG 3.71Å; N516-F587 WeakPolarHBondContact CB-O 3.46Å; N516-F587 PolarHBondContact ND2-O 3.35Å; M517-F587 HydrophobicContact CG-CD1 4.25Å; M517-F587 HydrophobicContact SD-CD1 3.82Å; M517-F587 HydrophobicContact SD-CE1 3.74Å; T533-F587 HydrophobicContact CG2-CD1 3.76Å; T533-F587 HydrophobicContact CG2-CE1 3.5Å; T533-F587 VanDerWaalsContact CG2-CE1 3.5Å; T533-F587 HydrophobicContact CG2-CG 4.42Å; T533-F587 HydrophobicContact CG2-CZ 3.99Å; D536-F587 HydrophobicContact CB-CD2 3.89Å; D536-F587 HydrophobicContact CB-CE2 4.16Å; L537-F587 HydrophobicContact CB-CE2 3.94Å; L537-F587 HydrophobicContact CB-CZ 3.83Å; L537-F587 HydrophobicContact CD1-CE2 4.44Å; L537-F587 HydrophobicContact CD1-CZ 4.1Å; L537-F587 HydrophobicContact CG-CZ 4.42Å; S585-F587 PolarHBondContact O-N 3.32Å; S585-F587 VanDerWaalsContact O-N 3.14Å; S585-F587 WeakPolarHBondContact OG-CB 3.05Å; S585-F587 PolarHBondContact OG-N 2.79Å
588	N	97.8	Very high	95.9	Very high	98 Å²	98	53.1 Å²	53.1	52%	0.524	29%	0.289	S	S	.	.	S	Bend	trans	-108.2	161.6	170.3	-60	-51.2	0	0	0	110.1	N520 S585 L586 I590	N520-N588 PolarHBondContact ND2-O 2.7Å; S585-N588 PolarHBondContact O-N 3.43Å; L586-N588 CarbonylContact C-O 3.53Å; L586-N588 PolarHBondContact O-N 2.54Å; N588-I590 PolarHBondContact O-N 2.96Å
589	Q	96.8	Very high	96	Very high	106 Å²	106	45.9 Å²	45.9	50%	0.495	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-70.4	117.1	173.7	-76.3	-160.8	24	0	0	110.5	N516 R523	N516-Q589 HydrophobicContact CB-CG 4.42Å; N516-Q589 WeakPolarHBondContact OD1-CG 3.42Å; R523-Q589 VanDerWaalsContact NH1-CA 3.3Å
590	I	97.2	Very high	96	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-63.1	136.1	170.1	-59.3	-60.8	0	0	0	109.5	N520 R523 I525 L584 L586 N588 L592 R594	N520-I590 HydrophobicContact CB-CG1 4.28Å; N520-I590 PolarHBondContact OD1-N 2.76Å; R523-I590 HydrophobicContact CB-CB 4.12Å; R523-I590 HydrophobicContact CB-CG2 4.09Å; R523-I590 WeakPolarHBondContact CD-O 3.37Å; R523-I590 PolarHBondContact NE-O 2.56Å; R523-I590 VanDerWaalsContact NH1-N 3.17Å; R523-I590 PolarHBondContact NH1-O 3.13Å; I525-I590 HydrophobicContact CG2-CG1 4.05Å; L584-I590 HydrophobicContact CB-CD1 3.54Å; L584-I590 HydrophobicContact CD1-CD1 4.28Å; L586-I590 HydrophobicContact CD2-CD1 4.09Å; L586-I590 HydrophobicContact CD2-CG1 3.93Å; N588-I590 PolarHBondContact O-N 2.96Å; I590-L592 PolarHBondContact O-N 2.94Å; I590-R594 HydrophobicContact CG2-CB 4.38Å
591	P	95.3	Very high	96	Very high	57 Å²	57	46 Å²	46	37%	0.37	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-57.8	136.4	-179.5	-25	34.1	0	0	0	112.5	N593 R594	P591-N593 WeakPolarHBondContact CB-OD1 3.19Å; P591-N593 PolarHBondContact O-N 2.83Å; P591-R594 HydrophobicContact CB-CB 4.27Å; P591-R594 WeakPolarHBondContact O-CB 3.49Å; P591-R594 PolarHBondContact O-N 2.73Å
592	L	89.3	Confident	95.9	Very high	70 Å²	70	47.2 Å²	47.2	37%	0.366	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-28	178	-77	172.7	0	0	0	112.5	M64 K66 I590	M64-L592 HydrophobicContact CE-CB 4.02Å; M64-L592 HydrophobicContact CE-CD1 3.89Å; M64-L592 HydrophobicContact SD-CB 4.11Å; M64-L592 HydrophobicContact SD-CD1 4Å; K66-L592 VanDerWaalsContact CA-O 3.23Å; K66-L592 WeakPolarHBondContact CA-O 3.32Å; K66-L592 WeakPolarHBondContact CB-O 3.39Å; K66-L592 WeakPolarHBondContact CG-O 3.47Å; I590-L592 PolarHBondContact O-N 2.94Å
593	N	89.9	Confident	95.6	Very high	70 Å²	70	48.8 Å²	48.8	37%	0.374	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	12.3	178.7	65.5	-32.1	0	0	0	113.4	P591 N595	P591-N593 WeakPolarHBondContact CB-OD1 3.19Å; P591-N593 PolarHBondContact O-N 2.83Å; N593-N595 PolarHBondContact O-N 3.15Å
594	R	94.1	Very high	95.2	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.019	26%	0.264	C	S	.	.			trans	-62.2	122	177.4	-170.1	-176.5	-172.6	-172.1	10	109.6	L524 D529 I590 P591 D598	L524-R594 PolarHBondContact O-NH1 3.24Å; D529-R594 IonicContact OD1-CZ 2.72Å; D529-R594 IonicContact OD1-NH1 3.81Å; D529-R594 PolarHBondContact OD1-NH1 3.12Å; D529-R594 IonicContact OD1-NH2 2.87Å; D529-R594 PolarHBondContact OD1-NH2 3.36Å; D529-R594 IonicContact OD2-CZ 3.3Å; D529-R594 IonicContact OD2-NH1 3.71Å; D529-R594 PolarHBondContact OD2-NH1 3.02Å; D529-R594 IonicContact OD2-NH2 3.06Å; I590-R594 HydrophobicContact CG2-CB 4.38Å; P591-R594 HydrophobicContact CB-CB 4.27Å; P591-R594 WeakPolarHBondContact O-CB 3.49Å; P591-R594 PolarHBondContact O-N 2.73Å; R594-D598 HydrophobicContact CG-CB 3.63Å; R594-D598 PolarHBondContact NE-O 3.28Å
595	N	93	Very high	95	Very high	64 Å²	64	46 Å²	46	34%	0.342	25%	0.246	S	C	.	.			trans	-98.7	179.8	177.6	66.1	43.4	0	0	0	111.3	L524 N593 D597 D598 A599	L524-N595 WeakPolarHBondContact CD2-O 3.15Å; N593-N595 PolarHBondContact O-N 3.15Å; N595-D597 VanDerWaalsContact C-N 3.34Å; N595-D597 PolarHBondContact O-N 2.92Å; N595-D597 WeakPolarHBondContact OD1-CA 3.27Å; N595-D597 WeakPolarHBondContact OD1-CB 3.18Å; N595-D597 PolarHBondContact OD1-N 3.45Å; N595-D598 VanDerWaalsContact CG-OD2 3.27Å; N595-D598 PolarHBondContact N-OD2 2.81Å; N595-D598 PolarHBondContact ND2-OD2 2.87Å; N595-D598 PolarHBondContact O-N 3.32Å; N595-D598 VanDerWaalsContact OD1-CG 3.28Å; N595-D598 PolarHBondContact OD1-N 3.43Å; N595-D598 PolarHBondContact OD1-OD2 3.27Å; N595-A599 PolarHBondContact O-N 2.85Å
596	C	95.2	Very high	94.9	Very high	7 Å²	7	46.2 Å²	46.2	5%	0.047	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-35.5	-179.9	-75.1	0	0	0	0	113.3	A599 Y600 I601 C606 C608	C596-A599 CarbonylContact O-C 3.45Å; C596-A599 PolarHBondContact O-N 2.95Å; C596-A599 VanDerWaalsContact O-N 3.15Å; C596-Y600 PolarHBondContact O-N 3.37Å; C596-Y600 VanDerWaalsContact O-N 3.13Å; C596-I601 HydrophobicContact CB-CB 4.01Å; C596-I601 HydrophobicContact CB-CG2 4.43Å; C596-I601 PolarHBondContact O-N 3.16Å; C596-C606 HydrophobicContact CB-CB 3.68Å; C596-C606 WeakPolarHBondContact CB-SG 3.39Å; C596-C606 VanDerWaalsContact SG-CA 3.51Å; C596-C606 WeakPolarHBondContact SG-CB 3.41Å; C596-C606 CovalentContact SG-SG 2.03Å; C596-C606 PolarHBondContact SG-SG 3.33Å; C596-C608 PolarHBondContact SG-SG 3.3Å
597	D	94.7	Very high	94.6	Very high	123 Å²	123	46.2 Å²	46.2	66%	0.658	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-43.4	179	-60.6	-29.4	0	0	0	110.9	N595 A599 Y600	N595-D597 VanDerWaalsContact C-N 3.34Å; N595-D597 PolarHBondContact O-N 2.92Å; N595-D597 WeakPolarHBondContact OD1-CA 3.27Å; N595-D597 WeakPolarHBondContact OD1-CB 3.18Å; N595-D597 PolarHBondContact OD1-N 3.45Å; D597-A599 PolarHBondContact O-N 3.04Å; D597-A599 VanDerWaalsContact O-N 3.15Å; D597-Y600 PolarHBondContact O-N 3.05Å
598	D	95.4	Very high	94.3	Very high	83 Å²	83	46.4 Å²	46.4	44%	0.444	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.9	172.8	-59.1	-36.5	0	0	0	112.7	R594 N595	R594-D598 HydrophobicContact CG-CB 3.63Å; R594-D598 PolarHBondContact NE-O 3.28Å; N595-D598 VanDerWaalsContact CG-OD2 3.27Å; N595-D598 PolarHBondContact N-OD2 2.81Å; N595-D598 PolarHBondContact ND2-OD2 2.87Å; N595-D598 PolarHBondContact O-N 3.32Å; N595-D598 VanDerWaalsContact OD1-CG 3.28Å; N595-D598 PolarHBondContact OD1-N 3.43Å; N595-D598 PolarHBondContact OD1-OD2 3.27Å
599	A	97.1	Very high	93.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	4.3	178.8	0	0	0	0	0	113.3	L524 T526 N595 C596 D597 I601	L524-A599 HydrophobicContact CD2-CB 3.94Å; L524-A599 HydrophobicContact CG-CB 4.22Å; T526-A599 HydrophobicContact CG2-CB 4.26Å; N595-A599 PolarHBondContact O-N 2.85Å; C596-A599 CarbonylContact O-C 3.45Å; C596-A599 PolarHBondContact O-N 2.95Å; C596-A599 VanDerWaalsContact O-N 3.15Å; D597-A599 PolarHBondContact O-N 3.04Å; D597-A599 VanDerWaalsContact O-N 3.15Å; A599-I601 VanDerWaalsContact C-N 3.27Å; A599-I601 HydrophobicContact CB-CD1 3.7Å; A599-I601 HydrophobicContact CB-CG1 3.97Å; A599-I601 PolarHBondContact O-N 3.03Å
600	Y	96.9	Very high	93.1	Very high	111 Å²	111	41.5 Å²	41.5	44%	0.435	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	39.2	-176.8	-68.7	-100.4	0	0	0	113.1	H582 C596 D597	H582-Y600 HydrophobicContact CB-CD1 4.34Å; H582-Y600 HydrophobicContact CB-CD2 3.58Å; H582-Y600 HydrophobicContact CB-CE2 3.85Å; H582-Y600 HydrophobicContact CB-CG 3.83Å; H582-Y600 AromaticContact CE1-CD1 3.67Å; H582-Y600 AromaticContact CE1-CE1 3.32Å; H582-Y600 WeakPolarHBondContact CE1-CE1 3.19Å; H582-Y600 AromaticContact CE1-CZ 3.81Å; H582-Y600 AromaticContact CG-CD1 3.76Å; H582-Y600 AromaticContact CG-CD2 3.87Å; H582-Y600 AromaticContact CG-CE1 3.87Å; H582-Y600 AromaticContact CG-CE2 3.96Å; H582-Y600 AromaticContact CG-CG 3.75Å; H582-Y600 AromaticContact CG-CZ 3.95Å; H582-Y600 AromaticContact ND1-CD1 3.55Å; H582-Y600 AromaticContact ND1-CD2 3.98Å; H582-Y600 AromaticContact ND1-CE1 3.17Å; H582-Y600 WeakPolarHBondContact ND1-CE1 3.43Å; H582-Y600 AromaticContact ND1-CE2 3.62Å; H582-Y600 AromaticContact ND1-CG 3.93Å; H582-Y600 AromaticContact ND1-CZ 3.2Å; H582-Y600 AromaticContact NE2-CD1 3.91Å; C596-Y600 PolarHBondContact O-N 3.37Å; C596-Y600 VanDerWaalsContact O-N 3.13Å; D597-Y600 PolarHBondContact O-N 3.05Å
601	I	97	Very high	92.4	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.015	23%	0.234	C	C	.	.			trans	-104.5	114.7	177	-57.2	165	0	0	0	108.3	N274 I276 L524 T526 C596 A599 W605 C606	N274-I601 HydrophobicContact CB-CD1 3.89Å; I276-I601 HydrophobicContact CG2-CG1 4.29Å; L524-I601 HydrophobicContact CD1-CD1 3.93Å; L524-I601 HydrophobicContact CD2-CD1 4.16Å; L524-I601 HydrophobicContact CG-CD1 4.25Å; T526-I601 HydrophobicContact CG2-CD1 3.63Å; T526-I601 HydrophobicContact CG2-CG1 3.71Å; C596-I601 HydrophobicContact CB-CB 4.01Å; C596-I601 HydrophobicContact CB-CG2 4.43Å; C596-I601 PolarHBondContact O-N 3.16Å; A599-I601 VanDerWaalsContact C-N 3.27Å; A599-I601 HydrophobicContact CB-CD1 3.7Å; A599-I601 HydrophobicContact CB-CG1 3.97Å; A599-I601 PolarHBondContact O-N 3.03Å; I601-W605 HydrophobicContact CG2-CB 3.67Å; I601-C606 HydrophobicContact CG2-CB 4.34Å
602	S	94.1	Very high	91.6	Very high	63 Å²	63	42.5 Å²	42.5	44%	0.441	23%	0.225	S	C	.	.			trans	-58.8	150.6	174.5	-57.9	0	0	0	0	111.9	H604 W605 C606	S602-H604 VanDerWaalsContact C-N 3.26Å; S602-H604 PolarHBondContact O-N 3.03Å; S602-W605 WeakPolarHBondContact O-CA 3.33Å; S602-W605 PolarHBondContact O-N 3.27Å; S602-C606 PolarHBondContact O-N 3.29Å
603	S	91.3	Very high	91.3	Very high	56 Å²	56	46.1 Å²	46.1	39%	0.392	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-39.2	-172.7	60.9	0	0	0	0	115.2	W605 C606 D668	S603-W605 VanDerWaalsContact C-N 3.33Å; S603-W605 PolarHBondContact O-N 3.45Å; S603-C606 WeakPolarHBondContact O-CB 3.39Å; S603-C606 PolarHBondContact O-N 2.86Å; S603-D668 WeakPolarHBondContact CB-OD2 3.14Å; S603-D668 PolarHBondContact OG-OD2 2.83Å
604	H	90.4	Very high	90.7	Very high	23 Å²	23	43.7 Å²	43.7	11%	0.106	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.8	-179.6	58.6	-84	0	0	0	114.6	R494 S602 D668 F672 F685	R494-H604 VanDerWaalsContact CZ-O 3.29Å; R494-H604 PolarHBondContact NE-O 3.48Å; R494-H604 PolarHBondContact NH2-O 3.14Å; S602-H604 VanDerWaalsContact C-N 3.26Å; S602-H604 PolarHBondContact O-N 3.03Å; H604-D668 HydrophobicContact CB-CB 4.06Å; H604-F672 HydrophobicContact CB-CB 4.01Å; H604-F672 HydrophobicContact CB-CD2 4.2Å; H604-F672 HydrophobicContact CB-CG 4.28Å; H604-F672 AromaticContact CD2-CD2 3.71Å; H604-F672 AromaticContact CD2-CE2 3.81Å; H604-F685 HydrophobicContact CB-CE1 3.76Å; H604-F685 HydrophobicContact CB-CZ 3.95Å
605	W	94.8	Very high	89.9	Confident	8 Å²	8	51.4 Å²	51.4	3%	0.03	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-11.2	170.2	-64	115.6	0	0	0	112.6	N274 V275 D278 E493 R494 I601 S602 S603 F672	N274-W605 PolarHBondContact ND2-O 2.95Å; V275-W605 HydrophobicContact CG2-CB 4.33Å; V275-W605 HydrophobicContact CG2-CD2 4.18Å; V275-W605 HydrophobicContact CG2-CE3 3.61Å; V275-W605 HydrophobicContact CG2-CG 4.48Å; V275-W605 HydrophobicContact CG2-CZ3 4.37Å; D278-W605 HydrophobicContact CB-CH2 4.08Å; D278-W605 HydrophobicContact CB-CZ2 3.61Å; E493-W605 HydrophobicContact CG-CZ3 4.41Å; R494-W605 WeakPolarHBondContact CD-O 3.39Å; R494-W605 HydrophobicContact CG-CE3 3.85Å; R494-W605 HydrophobicContact CG-CZ3 4.43Å; I601-W605 HydrophobicContact CG2-CB 3.67Å; S602-W605 WeakPolarHBondContact O-CA 3.33Å; S602-W605 PolarHBondContact O-N 3.27Å; S603-W605 VanDerWaalsContact C-N 3.33Å; S603-W605 PolarHBondContact O-N 3.45Å; W605-F672 AromaticContact CH2-CE1 3.67Å; W605-F672 HydrophobicContact CH2-CE1 3.67Å; W605-F672 AromaticContact CH2-CZ 3.7Å; W605-F672 HydrophobicContact CH2-CZ 3.7Å; W605-F672 HydrophobicContact CZ2-CE1 4.1Å; W605-F672 HydrophobicContact CZ2-CE2 4.34Å; W605-F672 AromaticContact CZ2-CZ 3.69Å; W605-F672 HydrophobicContact CZ2-CZ 3.69Å; W605-F672 HydrophobicContact CZ3-CE1 4.29Å
606	C	94.8	Very high	88.7	Confident	14 Å²	14	50.9 Å²	50.9	10%	0.095	26%	0.259	C	S	.	.			trans	-71.9	132.3	179.6	-172.8	0	0	0	0	111.9	C596 I601 S602 S603 M669	C596-C606 HydrophobicContact CB-CB 3.68Å; C596-C606 WeakPolarHBondContact CB-SG 3.39Å; C596-C606 VanDerWaalsContact SG-CA 3.51Å; C596-C606 WeakPolarHBondContact SG-CB 3.41Å; C596-C606 CovalentContact SG-SG 2.03Å; C596-C606 PolarHBondContact SG-SG 3.33Å; I601-C606 HydrophobicContact CG2-CB 4.34Å; S602-C606 PolarHBondContact O-N 3.29Å; S603-C606 WeakPolarHBondContact O-CB 3.39Å; S603-C606 PolarHBondContact O-N 2.86Å; C606-M669 WeakPolarHBondContact O-CB 3.12Å
607	V	92.3	Very high	87.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.			trans	-109.6	-7	176.8	-61.5	0	0	0	0	113.5	I69 N274 L491 R494 L495 L609	I69-V607 HydrophobicContact CG2-CB 4.05Å; I69-V607 HydrophobicContact CG2-CG2 3.56Å; N274-V607 WeakPolarHBondContact OD1-CG1 3.22Å; N274-V607 WeakPolarHBondContact OD1-CG2 3.29Å; L491-V607 HydrophobicContact CD2-CB 4.11Å; L491-V607 HydrophobicContact CD2-CG1 4.13Å; R494-V607 HydrophobicContact CB-CG1 3.3Å; R494-V607 HydrophobicContact CG-CG1 4.05Å; L495-V607 HydrophobicContact CD1-CG2 4.49Å; L495-V607 HydrophobicContact CD2-CG2 3.95Å; L495-V607 HydrophobicContact CG-CG1 4.34Å; L495-V607 HydrophobicContact CG-CG2 4.28Å; V607-L609 PolarHBondContact O-N 2.92Å
608	C	92.3	Very high	86	Confident	12 Å²	12	53 Å²	53	8%	0.081	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-65.2	124.8	-179	-53.5	0	0	0	0	109.7	C67 S68 C596 P666	C67-C608 HydrophobicContact CB-CB 3.89Å; C67-C608 WeakPolarHBondContact CB-SG 3.26Å; C67-C608 WeakPolarHBondContact SG-CB 3.47Å; C67-C608 CovalentContact SG-SG 2.03Å; C67-C608 PolarHBondContact SG-SG 2.99Å; S68-C608 CarbonylContact O-C 3.59Å; S68-C608 WeakPolarHBondContact O-CA 3.41Å; C596-C608 PolarHBondContact SG-SG 3.3Å; C608-P666 WeakPolarHBondContact O-CG 3.18Å
609	L	86.8	Confident	85.2	Confident	14 Å²	14	55.3 Å²	55.3	7%	0.073	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-60.2	138.7	176.8	-69.9	165.9	0	0	0	111.1	S68 P70 V607 W611 A663 L665 L725	S68-L609 WeakPolarHBondContact O-CB 3.42Å; S68-L609 WeakPolarHBondContact O-CG 3.28Å; S68-L609 PolarHBondContact O-N 2.7Å; P70-L609 HydrophobicContact CB-CD2 4.32Å; P70-L609 HydrophobicContact CG-CD2 4.46Å; V607-L609 PolarHBondContact O-N 2.92Å; L609-W611 HydrophobicContact CD1-CZ2 4.43Å; L609-A663 HydrophobicContact CB-CB 4.24Å; L609-A663 HydrophobicContact CD1-CB 3.88Å; L609-A663 HydrophobicContact CD2-CB 4.13Å; L609-A663 HydrophobicContact CG-CB 4.32Å; L609-L665 HydrophobicContact CD2-CD2 3.95Å; L609-L725 HydrophobicContact CD1-CD2 3.7Å
610	N	82.3	Confident	84.2	Confident	86 Å²	86	57 Å²	57	46%	0.46	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	141.2	166.5	-68.3	-20	0	0	0	108.9	A663 I664	N610-A663 CarbonylContact O-C 3.58Å; N610-A663 WeakPolarHBondContact O-CA 3.28Å; N610-I664 HydrophobicContact CB-CB 4.46Å; N610-I664 PolarHBondContact N-O 2.69Å; N610-I664 PolarHBondContact O-N 3.29Å
611	W	82.5	Confident	83.6	Confident	42 Å²	42	51.8 Å²	51.8	16%	0.159	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.1	-179.9	-64.7	95.6	0	0	0	109.7	L609 E661 A663 L725 R727 T742	L609-W611 HydrophobicContact CD1-CZ2 4.43Å; W611-E661 HydrophobicContact CB-CB 4.2Å; W611-E661 HydrophobicContact CE3-CB 4.06Å; W611-A663 HydrophobicContact CD2-CB 4.22Å; W611-A663 HydrophobicContact CE3-CB 3.74Å; W611-A663 HydrophobicContact CH2-CB 3.6Å; W611-A663 HydrophobicContact CZ2-CB 4.08Å; W611-A663 HydrophobicContact CZ3-CB 3.39Å; W611-L725 HydrophobicContact CH2-CD2 3.81Å; W611-L725 HydrophobicContact CH2-CG 4.19Å; W611-L725 HydrophobicContact CZ2-CD2 4.46Å; W611-R727 HydrophobicContact CD2-CB 4.38Å; W611-R727 HydrophobicContact CE3-CB 3.61Å; W611-R727 HydrophobicContact CH2-CB 3.73Å; W611-R727 HydrophobicContact CZ2-CB 4.47Å; W611-R727 HydrophobicContact CZ3-CB 3.25Å; W611-R727 HydrophobicContact CZ3-CG 4.48Å; W611-T742 HydrophobicContact CH2-CG2 4.36Å
612	I	79.8	Confident	83.2	Confident	38 Å²	38	55.9 Å²	55.9	20%	0.195	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.5	176.9	-64.1	-165.7	0	0	0	109.6	L614 E661 Q662 I664 L695	I612-L614 PolarHBondContact O-N 3.46Å; I612-E661 CarbonylContact O-C 3.55Å; I612-E661 WeakPolarHBondContact O-CA 3.35Å; I612-Q662 PolarHBondContact N-O 3.2Å; I612-Q662 PolarHBondContact O-N 3.32Å; I612-I664 HydrophobicContact CB-CD1 3.98Å; I612-I664 HydrophobicContact CD1-CD1 3.11Å; I612-I664 HydrophobicContact CD1-CG1 4.48Å; I612-I664 HydrophobicContact CG1-CD1 3.43Å; I612-I664 VanDerWaalsContact CG1-CD1 3.43Å; I612-I664 HydrophobicContact CG1-CG1 4.47Å; I612-L695 HydrophobicContact CD1-CD1 3.44Å; I612-L695 VanDerWaalsContact CD1-CD1 3.44Å
613	K	81.7	Confident	82.8	Confident	147 Å²	147	56.3 Å²	56.3	64%	0.639	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	130.3	175.5	-168.7	172.5	-178	174.5	0	111.2	V660 E661	K613-V660 WeakPolarHBondContact CA-O 3.28Å; K613-E661 HydrophobicContact CB-CG 4.45Å
614	L	78.8	Confident	82.6	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.094	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	159.2	173.4	-59.6	-171.6	0	0	0	110.6	I612 V660 Q662 I704 F705 L726	I612-L614 PolarHBondContact O-N 3.46Å; L614-V660 HydrophobicContact CB-CB 4.27Å; L614-V660 HydrophobicContact CB-CG1 4.13Å; L614-V660 HydrophobicContact CD1-CG1 4.12Å; L614-V660 HydrophobicContact CG-CG1 4.47Å; L614-V660 PolarHBondContact N-O 3.03Å; L614-Q662 HydrophobicContact CD1-CB 3.91Å; L614-Q662 HydrophobicContact CD2-CB 4.17Å; L614-Q662 HydrophobicContact CG-CB 4.1Å; L614-I704 HydrophobicContact CD2-CG2 3.34Å; L614-F705 HydrophobicContact CD1-CD2 4.19Å; L614-L726 HydrophobicContact CD1-CD2 3.87Å
615	E	76.6	Confident	82.7	Confident	167 Å²	167	52.6 Å²	52.6	78%	0.78	26%	0.257	S	S	*	.			trans	-77.4	141.4	169.7	-65.1	-175.7	176.2	0	0	111.1	N617 I621	E615-N617 PolarHBondContact O-N 2.7Å; E615-N617 VanDerWaalsContact O-N 3.08Å; E615-I621 WeakPolarHBondContact O-CD1 3.39Å
616	N	68.2	Low	82.6	Confident	53 Å²	53	55.8 Å²	55.8	28%	0.283	28%	0.275	S	S	.	.	S	Bend	trans	-76.6	7.5	-166.4	-67.8	-4.5	0	0	0	115.3	I657	N616-I657 PolarHBondContact ND2-O 3.24Å; N616-I657 VanDerWaalsContact ND2-O 3.14Å
617	N	62.4	Low	82.4	Confident	142 Å²	142	56.9 Å²	56.9	76%	0.759	28%	0.282	S	S	*	.			trans	-108.7	33.3	-163.2	-72.3	-7.6	0	0	0	115.8	E615	E615-N617 PolarHBondContact O-N 2.7Å; E615-N617 VanDerWaalsContact O-N 3.08Å
618	N	70.2	Confident	82.4	Confident	34 Å²	34	56.9 Å²	56.9	18%	0.182	28%	0.282	C	S	.	.			trans	-105.3	136.2	178.9	-159.8	-61.6	0	0	0	113.2	L620 I621 I622 F705	N618-L620 PolarHBondContact O-N 3.46Å; N618-L620 VanDerWaalsContact O-N 3.15Å; N618-L620 WeakPolarHBondContact OD1-CB 3.38Å; N618-L620 PolarHBondContact OD1-N 3.42Å; N618-I621 HydrophobicContact CB-CB 4.32Å; N618-I621 HydrophobicContact CB-CD1 3.74Å; N618-I621 HydrophobicContact CB-CG1 3.93Å; N618-I621 WeakPolarHBondContact O-CB 3.42Å; N618-I621 PolarHBondContact O-N 2.87Å; N618-I622 PolarHBondContact O-N 2.95Å; N618-F705 WeakPolarHBondContact ND2-CB 3.31Å; N618-F705 WeakPolarHBondContact ND2-CD1 3.41Å; N618-F705 VanDerWaalsContact ND2-CG 3.29Å; N618-F705 WeakPolarHBondContact ND2-CG 3.19Å
619	E	78.3	Confident	82.6	Confident	130 Å²	130	57 Å²	57	61%	0.607	28%	0.281	S	S	*	.	H	α-helix	trans	-51.6	-36.6	172.8	-169	-168.2	155.8	0	0	112.2	I622 K623	E619-I622 PolarHBondContact O-N 3.12Å; E619-K623 WeakPolarHBondContact O-CG 3.39Å; E619-K623 PolarHBondContact O-N 3.33Å; E619-K623 WeakPolarHBondContact OE1-CE 3.49Å; E619-K623 IonicContact OE1-NZ 3.36Å; E619-K623 PolarHBondContact OE1-NZ 3.46Å
620	L	77.1	Confident	83	Confident	36 Å²	36	60.8 Å²	60.8	19%	0.188	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-40.7	176.8	-167.6	79.6	0	0	0	112.8	N618 I622 K623 C624 F705 I724 V745 F755	N618-L620 PolarHBondContact O-N 3.46Å; N618-L620 VanDerWaalsContact O-N 3.15Å; N618-L620 WeakPolarHBondContact OD1-CB 3.38Å; N618-L620 PolarHBondContact OD1-N 3.42Å; L620-I622 VanDerWaalsContact C-N 3.3Å; L620-I622 PolarHBondContact O-N 2.99Å; L620-K623 WeakPolarHBondContact O-CB 3.4Å; L620-K623 PolarHBondContact O-N 2.74Å; L620-C624 PolarHBondContact O-N 3.36Å; L620-C624 PolarHBondContact O-SG 3.42Å; L620-F705 HydrophobicContact CB-CE1 4.2Å; L620-F705 HydrophobicContact CB-CZ 4.41Å; L620-F705 HydrophobicContact CD2-CE1 3.51Å; L620-F705 HydrophobicContact CD2-CE2 3.97Å; L620-F705 HydrophobicContact CD2-CZ 3.05Å; L620-F705 HydrophobicContact CG-CE1 4.48Å; L620-F705 HydrophobicContact CG-CZ 4.33Å; L620-I724 HydrophobicContact CD2-CD1 4.11Å; L620-V745 HydrophobicContact CD1-CG1 4.05Å; L620-V745 HydrophobicContact CD2-CG1 4.11Å; L620-V745 HydrophobicContact CG-CG1 4.42Å; L620-F755 HydrophobicContact CD1-CE1 3.63Å; L620-F755 HydrophobicContact CD1-CZ 3.59Å; L620-F755 HydrophobicContact CG-CE1 4.08Å; L620-F755 HydrophobicContact CG-CZ 4.43Å
621	I	84.7	Confident	83.4	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-41.1	178.2	-68.9	169.4	0	0	0	109.7	E615 N618 C624 T625 I657 V660	E615-I621 WeakPolarHBondContact O-CD1 3.39Å; N618-I621 HydrophobicContact CB-CB 4.32Å; N618-I621 HydrophobicContact CB-CD1 3.74Å; N618-I621 HydrophobicContact CB-CG1 3.93Å; N618-I621 WeakPolarHBondContact O-CB 3.42Å; N618-I621 PolarHBondContact O-N 2.87Å; I621-C624 PolarHBondContact O-N 3.01Å; I621-T625 WeakPolarHBondContact O-CB 3.45Å; I621-T625 PolarHBondContact O-N 3.01Å; I621-T625 PolarHBondContact O-OG1 2.9Å; I621-I657 HydrophobicContact CG2-CD1 3.88Å; I621-V660 HydrophobicContact CD1-CB 4.32Å; I621-V660 HydrophobicContact CD1-CG1 3.91Å; I621-V660 HydrophobicContact CD1-CG2 4.21Å; I621-V660 HydrophobicContact CG1-CG1 4.07Å; I621-V660 HydrophobicContact CG2-CG1 4.48Å; I621-V660 HydrophobicContact CG2-CG2 3.61Å
622	I	87.3	Confident	83.9	Confident	88 Å²	88	59.1 Å²	59.1	45%	0.451	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-45	175.6	-62.6	172.1	0	0	0	110.2	N618 E619 L620 C624 T625 N626	N618-I622 PolarHBondContact O-N 2.95Å; E619-I622 PolarHBondContact O-N 3.12Å; L620-I622 VanDerWaalsContact C-N 3.3Å; L620-I622 PolarHBondContact O-N 2.99Å; I622-C624 PolarHBondContact O-N 3.18Å; I622-T625 PolarHBondContact O-N 3.26Å; I622-N626 PolarHBondContact O-N 3.49Å; I622-N626 PolarHBondContact O-ND2 3.12Å
623	K	86.2	Confident	84.5	Confident	73 Å²	73	58 Å²	58	32%	0.317	29%	0.285	S	S	.	.	H	α-helix	trans	-59	-46.2	174.6	-73.6	174.2	-176.9	167.8	0	111.9	E619 L620 T625 N626 V627 F755	E619-K623 WeakPolarHBondContact O-CG 3.39Å; E619-K623 PolarHBondContact O-N 3.33Å; E619-K623 WeakPolarHBondContact OE1-CE 3.49Å; E619-K623 IonicContact OE1-NZ 3.36Å; E619-K623 PolarHBondContact OE1-NZ 3.46Å; L620-K623 WeakPolarHBondContact O-CB 3.4Å; L620-K623 PolarHBondContact O-N 2.74Å; K623-T625 VanDerWaalsContact C-N 3.33Å; K623-T625 PolarHBondContact O-N 3.12Å; K623-N626 PolarHBondContact O-N 2.79Å; K623-V627 WeakPolarHBondContact O-CG2 3.33Å; K623-V627 PolarHBondContact O-N 3.39Å; K623-F755 HydrophobicContact CB-CE1 4.3Å; K623-F755 HydrophobicContact CB-CE2 3.99Å; K623-F755 HydrophobicContact CB-CZ 3.69Å; K623-F755 HydrophobicContact CD-CE2 4.47Å; K623-F755 HydrophobicContact CD-CZ 4.25Å
624	C	88	Confident	84.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-46.3	175.8	-66.3	0	0	0	0	111.5	L620 I621 I622 N626 V627 I628 I728 V743 V745 F755	L620-C624 PolarHBondContact O-N 3.36Å; L620-C624 PolarHBondContact O-SG 3.42Å; I621-C624 PolarHBondContact O-N 3.01Å; I622-C624 PolarHBondContact O-N 3.18Å; C624-N626 PolarHBondContact O-N 2.65Å; C624-V627 PolarHBondContact O-N 2.97Å; C624-V627 VanDerWaalsContact O-N 3.15Å; C624-I628 WeakPolarHBondContact O-CG1 3.43Å; C624-I628 PolarHBondContact O-N 2.87Å; C624-I728 HydrophobicContact CB-CD1 3.45Å; C624-I728 VanDerWaalsContact CB-CD1 3.45Å; C624-V743 HydrophobicContact CB-CG1 4.37Å; C624-V745 VanDerWaalsContact SG-CG2 3.6Å; C624-F755 HydrophobicContact CB-CD1 4.41Å; C624-F755 WeakPolarHBondContact SG-CD1 3.32Å; C624-F755 WeakPolarHBondContact SG-CE1 3.5Å
625	T	91.7	Very high	85.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-43.6	179.4	-60.1	0	0	0	0	111.8	I621 I622 K623 V627 I628 I629 L654 I657 I730	I621-T625 WeakPolarHBondContact O-CB 3.45Å; I621-T625 PolarHBondContact O-N 3.01Å; I621-T625 PolarHBondContact O-OG1 2.9Å; I622-T625 PolarHBondContact O-N 3.26Å; K623-T625 VanDerWaalsContact C-N 3.33Å; K623-T625 PolarHBondContact O-N 3.12Å; T625-V627 VanDerWaalsContact C-N 3.32Å; T625-V627 PolarHBondContact O-N 3.03Å; T625-I628 WeakPolarHBondContact O-CB 3.39Å; T625-I628 PolarHBondContact O-N 3.11Å; T625-I629 HydrophobicContact CG2-CD1 3.95Å; T625-I629 WeakPolarHBondContact O-CG1 3.42Å; T625-I629 PolarHBondContact O-N 2.84Å; T625-L654 HydrophobicContact CG2-CD1 3.59Å; T625-L654 HydrophobicContact CG2-CD2 3.65Å; T625-L654 HydrophobicContact CG2-CG 4.19Å; T625-I657 HydrophobicContact CG2-CD1 4.21Å; T625-I657 HydrophobicContact CG2-CG1 4.2Å; T625-I657 WeakPolarHBondContact OG1-CD1 3.24Å; T625-I730 HydrophobicContact CG2-CG2 3.9Å
626	N	92.5	Very high	85.8	Confident	76 Å²	76	49.6 Å²	49.6	41%	0.406	25%	0.249	S	C	.	.	H	α-helix	trans	-62.6	-38.6	175.4	-74.1	-23.4	0	0	0	112.1	I622 K623 C624 I629 N630	I622-N626 PolarHBondContact O-N 3.49Å; I622-N626 PolarHBondContact O-ND2 3.12Å; K623-N626 PolarHBondContact O-N 2.79Å; C624-N626 PolarHBondContact O-N 2.65Å; N626-I629 PolarHBondContact O-N 2.97Å; N626-N630 VanDerWaalsContact O-CB 3.32Å; N626-N630 WeakPolarHBondContact O-CB 3.33Å; N626-N630 PolarHBondContact O-N 3.35Å; N626-N630 PolarHBondContact O-ND2 2.71Å
627	V	91.3	Very high	86.5	Confident	37 Å²	37	51.4 Å²	51.4	22%	0.224	26%	0.258	C	S	.	.	H	α-helix	trans	-66	-40.2	175.8	176.1	0	0	0	0	111.2	K623 C624 T625 N630 K631 F755 V757	K623-V627 WeakPolarHBondContact O-CG2 3.33Å; K623-V627 PolarHBondContact O-N 3.39Å; C624-V627 PolarHBondContact O-N 2.97Å; C624-V627 VanDerWaalsContact O-N 3.15Å; T625-V627 VanDerWaalsContact C-N 3.32Å; T625-V627 PolarHBondContact O-N 3.03Å; V627-N630 PolarHBondContact O-N 2.86Å; V627-K631 WeakPolarHBondContact O-CB 3.48Å; V627-K631 PolarHBondContact O-N 3.4Å; V627-F755 HydrophobicContact CB-CB 4.14Å; V627-F755 HydrophobicContact CG1-CB 3.93Å; V627-F755 HydrophobicContact CG2-CB 3.85Å; V627-F755 HydrophobicContact CG2-CD2 4.02Å; V627-F755 HydrophobicContact CG2-CG 4.09Å; V627-V757 HydrophobicContact CG1-CG2 3.75Å
628	I	92.5	Very high	87.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-51.6	174	-65.9	158.5	0	0	0	110.3	C624 T625 N630 K631 I632 I728 I730 A741 V743 V757	C624-I628 WeakPolarHBondContact O-CG1 3.43Å; C624-I628 PolarHBondContact O-N 2.87Å; T625-I628 WeakPolarHBondContact O-CB 3.39Å; T625-I628 PolarHBondContact O-N 3.11Å; I628-N630 VanDerWaalsContact C-N 3.34Å; I628-N630 PolarHBondContact O-N 3.17Å; I628-K631 WeakPolarHBondContact O-CB 3.48Å; I628-K631 PolarHBondContact O-N 3.47Å; I628-K631 VanDerWaalsContact O-N 3.12Å; I628-I632 HydrophobicContact CG2-CD1 3.87Å; I628-I632 HydrophobicContact CG2-CG1 4.46Å; I628-I632 WeakPolarHBondContact O-CG1 3.43Å; I628-I632 PolarHBondContact O-N 2.9Å; I628-I728 HydrophobicContact CD1-CB 3.95Å; I628-I728 HydrophobicContact CD1-CD1 3.96Å; I628-I728 HydrophobicContact CD1-CG1 4.35Å; I628-I728 HydrophobicContact CD1-CG2 4.39Å; I628-I730 HydrophobicContact CG2-CD1 3.78Å; I628-A741 HydrophobicContact CB-CB 4.39Å; I628-A741 HydrophobicContact CD1-CB 3.65Å; I628-A741 HydrophobicContact CG1-CB 3.7Å; I628-A741 HydrophobicContact CG2-CB 3.71Å; I628-V743 HydrophobicContact CD1-CG2 3.57Å; I628-V743 HydrophobicContact CG1-CG2 3.57Å; I628-V757 HydrophobicContact CG1-CG2 4.25Å
629	I	95.6	Very high	87.1	Confident	13 Å²	13	52.6 Å²	52.6	7%	0.067	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-45.8	-179.6	-69.3	163.5	0	0	0	110.9	T625 N626 K631 I632 N633 I652 L654 I730	T625-I629 HydrophobicContact CG2-CD1 3.95Å; T625-I629 WeakPolarHBondContact O-CG1 3.42Å; T625-I629 PolarHBondContact O-N 2.84Å; N626-I629 PolarHBondContact O-N 2.97Å; I629-K631 VanDerWaalsContact C-N 3.3Å; I629-K631 PolarHBondContact O-N 2.77Å; I629-I632 PolarHBondContact O-N 2.78Å; I629-N633 VanDerWaalsContact O-CB 3.28Å; I629-N633 WeakPolarHBondContact O-CB 3.45Å; I629-N633 PolarHBondContact O-N 3.18Å; I629-N633 PolarHBondContact O-ND2 3.49Å; I629-I652 HydrophobicContact CG2-CG1 4.43Å; I629-L654 HydrophobicContact CD1-CB 3.51Å; I629-L654 HydrophobicContact CD1-CD1 4.15Å; I629-L654 HydrophobicContact CD1-CG 4.27Å; I629-I730 HydrophobicContact CG1-CD1 4.17Å
630	N	94.4	Very high	86.4	Confident	94 Å²	94	52.3 Å²	52.3	50%	0.503	25%	0.25	S	S	.	.	H	α-helix	trans	-60.7	-40.4	176.8	-73.4	-20.3	0	0	0	111.6	N626 V627 I628 N633 Q634	N626-N630 VanDerWaalsContact O-CB 3.32Å; N626-N630 WeakPolarHBondContact O-CB 3.33Å; N626-N630 PolarHBondContact O-N 3.35Å; N626-N630 PolarHBondContact O-ND2 2.71Å; V627-N630 PolarHBondContact O-N 2.86Å; I628-N630 VanDerWaalsContact C-N 3.34Å; I628-N630 PolarHBondContact O-N 3.17Å; N630-N633 PolarHBondContact O-N 3.32Å; N630-Q634 WeakPolarHBondContact O-CB 3.48Å; N630-Q634 VanDerWaalsContact O-CG 3.24Å; N630-Q634 WeakPolarHBondContact O-CG 3.41Å; N630-Q634 PolarHBondContact O-N 2.98Å
631	K	91.5	Very high	85.4	Confident	93 Å²	93	55.3 Å²	55.3	40%	0.404	27%	0.274	S	S	.	.	H	α-helix	trans	-65.2	-45.7	177.4	-172.7	66.9	172.4	-172.3	0	111.9	V627 I628 I629 N633 Q634 I635 V757 I760	V627-K631 WeakPolarHBondContact O-CB 3.48Å; V627-K631 PolarHBondContact O-N 3.4Å; I628-K631 WeakPolarHBondContact O-CB 3.48Å; I628-K631 PolarHBondContact O-N 3.47Å; I628-K631 VanDerWaalsContact O-N 3.12Å; I629-K631 VanDerWaalsContact C-N 3.3Å; I629-K631 PolarHBondContact O-N 2.77Å; K631-N633 VanDerWaalsContact C-N 3.34Å; K631-N633 PolarHBondContact O-N 3.35Å; K631-Q634 WeakPolarHBondContact O-CB 3.45Å; K631-Q634 PolarHBondContact O-N 3.08Å; K631-I635 WeakPolarHBondContact O-CG1 3.4Å; K631-I635 PolarHBondContact O-N 3.09Å; K631-V757 HydrophobicContact CB-CG2 4.3Å; K631-V757 HydrophobicContact CG-CB 4.39Å; K631-I760 HydrophobicContact CB-CD1 4.22Å; K631-I760 HydrophobicContact CG-CD1 3.88Å
632	I	92.6	Very high	84	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-45.8	175.9	-64.5	170.7	0	0	0	110	I628 I629 Q634 I635 I636 I652 F739 I760 Y784	I628-I632 HydrophobicContact CG2-CD1 3.87Å; I628-I632 HydrophobicContact CG2-CG1 4.46Å; I628-I632 WeakPolarHBondContact O-CG1 3.43Å; I628-I632 PolarHBondContact O-N 2.9Å; I629-I632 PolarHBondContact O-N 2.78Å; I632-Q634 VanDerWaalsContact C-N 3.34Å; I632-Q634 PolarHBondContact O-N 3.14Å; I632-I635 WeakPolarHBondContact O-CB 3.47Å; I632-I635 PolarHBondContact O-N 2.89Å; I632-I635 VanDerWaalsContact O-N 3.16Å; I632-I636 HydrophobicContact CG2-CD1 3.9Å; I632-I636 HydrophobicContact CG2-CG1 4.49Å; I632-I636 WeakPolarHBondContact O-CG1 3.46Å; I632-I636 PolarHBondContact O-N 3.15Å; I632-I652 HydrophobicContact CB-CD1 3.72Å; I632-I652 HydrophobicContact CB-CG1 4.27Å; I632-I652 HydrophobicContact CD1-CD1 3.64Å; I632-I652 HydrophobicContact CG1-CD1 4.27Å; I632-I652 HydrophobicContact CG2-CD1 3.49Å; I632-I652 VanDerWaalsContact CG2-CD1 3.49Å; I632-I652 HydrophobicContact CG2-CG1 3.85Å; I632-F739 HydrophobicContact CD1-CB 4.42Å; I632-F739 HydrophobicContact CD1-CD1 4.18Å; I632-F739 HydrophobicContact CD1-CD2 4.39Å; I632-F739 HydrophobicContact CD1-CG 4.09Å; I632-I760 HydrophobicContact CD1-CG2 3.97Å; I632-I760 HydrophobicContact CG1-CD1 3.74Å; I632-I760 HydrophobicContact CG1-CG2 4.09Å; I632-Y784 HydrophobicContact CG1-CD1 4.37Å; I632-Y784 HydrophobicContact CG2-CD1 4.16Å; I632-Y784 HydrophobicContact CG2-CG 4.5Å
633	N	93.8	Very high	82.5	Confident	14 Å²	14	63.2 Å²	63.2	8%	0.075	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-36.3	177.5	-82	-25.6	0	0	0	112.9	I629 N630 K631 I636 I637 M651 I652	I629-N633 VanDerWaalsContact O-CB 3.28Å; I629-N633 WeakPolarHBondContact O-CB 3.45Å; I629-N633 PolarHBondContact O-N 3.18Å; I629-N633 PolarHBondContact O-ND2 3.49Å; N630-N633 PolarHBondContact O-N 3.32Å; K631-N633 VanDerWaalsContact C-N 3.34Å; K631-N633 PolarHBondContact O-N 3.35Å; N633-I636 PolarHBondContact O-N 3.11Å; N633-I637 WeakPolarHBondContact O-CB 3.27Å; N633-I637 VanDerWaalsContact O-CG1 3.23Å; N633-I637 WeakPolarHBondContact O-CG1 3.35Å; N633-I637 PolarHBondContact O-N 3.14Å; N633-M651 HydrophobicContact CB-CE 3.46Å; N633-M651 VanDerWaalsContact CB-CE 3.46Å; N633-M651 HydrophobicContact CB-SD 3.9Å; N633-M651 VanDerWaalsContact CG-CE 3.46Å; N633-M651 WeakPolarHBondContact OD1-CA 3.35Å; N633-I652 PolarHBondContact ND2-O 3.47Å; N633-I652 WeakPolarHBondContact OD1-CG1 3.04Å; N633-I652 PolarHBondContact OD1-N 2.74Å
634	Q	89.9	Confident	81.4	Confident	117 Å²	117	61.3 Å²	61.3	55%	0.547	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-41	171.8	-78.4	172.6	-1.5	0	0	112.2	N630 K631 I632 I637 K638	N630-Q634 WeakPolarHBondContact O-CB 3.48Å; N630-Q634 VanDerWaalsContact O-CG 3.24Å; N630-Q634 WeakPolarHBondContact O-CG 3.41Å; N630-Q634 PolarHBondContact O-N 2.98Å; K631-Q634 WeakPolarHBondContact O-CB 3.45Å; K631-Q634 PolarHBondContact O-N 3.08Å; I632-Q634 VanDerWaalsContact C-N 3.34Å; I632-Q634 PolarHBondContact O-N 3.14Å; Q634-I637 PolarHBondContact O-N 3.28Å; Q634-K638 WeakPolarHBondContact O-CB 3.41Å; Q634-K638 PolarHBondContact O-N 3.15Å
635	I	86.1	Confident	80.4	Confident	36 Å²	36	67.8 Å²	67.8	19%	0.185	34%	0.339	C	S	.	.	H	α-helix	trans	-58.2	-53.9	172.6	-67.9	166	0	0	0	108.2	K631 I632 I637 K638 Y639 Y784	K631-I635 WeakPolarHBondContact O-CG1 3.4Å; K631-I635 PolarHBondContact O-N 3.09Å; I632-I635 WeakPolarHBondContact O-CB 3.47Å; I632-I635 PolarHBondContact O-N 2.89Å; I632-I635 VanDerWaalsContact O-N 3.16Å; I635-I637 PolarHBondContact O-N 2.97Å; I635-K638 PolarHBondContact O-N 2.67Å; I635-Y639 HydrophobicContact CG2-CD2 4.17Å; I635-Y639 HydrophobicContact CG2-CE2 4.01Å; I635-Y639 WeakPolarHBondContact O-CD2 3.13Å; I635-Y639 PolarHBondContact O-N 2.85Å; I635-Y784 HydrophobicContact CD1-CE2 4.23Å; I635-Y784 HydrophobicContact CG2-CD2 3.8Å; I635-Y784 HydrophobicContact CG2-CE2 4.22Å; I635-Y784 HydrophobicContact CG2-CG 4.42Å
636	I	86.6	Confident	79.5	Confident	4 Å²	4	73.9 Å²	73.9	2%	0.021	37%	0.372	C	S	.	.	H	α-helix	trans	-54.7	-47.1	178.4	-67.5	167.5	0	0	0	112	I632 N633 Y639 K640 C649 I652	I632-I636 HydrophobicContact CG2-CD1 3.9Å; I632-I636 HydrophobicContact CG2-CG1 4.49Å; I632-I636 WeakPolarHBondContact O-CG1 3.46Å; I632-I636 PolarHBondContact O-N 3.15Å; N633-I636 PolarHBondContact O-N 3.11Å; I636-Y639 PolarHBondContact O-N 2.97Å; I636-K640 PolarHBondContact O-N 3.02Å; I636-K640 VanDerWaalsContact O-N 3.14Å; I636-C649 HydrophobicContact CG2-CB 3.6Å; I636-I652 HydrophobicContact CD1-CG2 4.3Å
637	I	84.2	Confident	79	Confident	90 Å²	90	70.2 Å²	70.2	46%	0.462	35%	0.352	S	S	.	.	H	α-helix	trans	-64.1	-44.2	-179.8	-72.6	165.3	0	0	0	111.9	N633 Q634 I635 Y639 K640 M651	N633-I637 WeakPolarHBondContact O-CB 3.27Å; N633-I637 VanDerWaalsContact O-CG1 3.23Å; N633-I637 WeakPolarHBondContact O-CG1 3.35Å; N633-I637 PolarHBondContact O-N 3.14Å; Q634-I637 PolarHBondContact O-N 3.28Å; I635-I637 PolarHBondContact O-N 2.97Å; I637-Y639 PolarHBondContact O-N 3.43Å; I637-K640 VanDerWaalsContact O-CB 3.3Å; I637-K640 WeakPolarHBondContact O-CB 3.05Å; I637-K640 PolarHBondContact O-N 3.43Å; I637-M651 HydrophobicContact CD1-CE 3.72Å; I637-M651 HydrophobicContact CD1-SD 3.85Å; I637-M651 HydrophobicContact CG1-CE 4.34Å; I637-M651 HydrophobicContact CG1-SD 3.77Å
638	K	76.3	Confident	78.7	Confident	151 Å²	151	71 Å²	71	66%	0.657	35%	0.354	S	S	*	.	H	α-helix	trans	-54.3	-30	179.7	-173.7	-176.1	176.3	-167.4	0	111.7	Q634 I635	Q634-K638 WeakPolarHBondContact O-CB 3.41Å; Q634-K638 PolarHBondContact O-N 3.15Å; I635-K638 PolarHBondContact O-N 2.67Å
639	Y	69.3	Low	78.4	Confident	51 Å²	51	71.8 Å²	71.8	20%	0.2	36%	0.359	C	S	.	.	H	α-helix	trans	-99.3	-4.8	179.7	-63.2	-70.3	0	0	0	114.2	I635 I636 I637 S641 W778 E780 T781	I635-Y639 HydrophobicContact CG2-CD2 4.17Å; I635-Y639 HydrophobicContact CG2-CE2 4.01Å; I635-Y639 WeakPolarHBondContact O-CD2 3.13Å; I635-Y639 PolarHBondContact O-N 2.85Å; I636-Y639 PolarHBondContact O-N 2.97Å; I637-Y639 PolarHBondContact O-N 3.43Å; Y639-S641 PolarHBondContact O-N 2.93Å; Y639-W778 AromaticContact CD1-CE3 3.52Å; Y639-W778 HydrophobicContact CD1-CE3 3.52Å; Y639-W778 AromaticContact CD1-CZ3 3.37Å; Y639-W778 HydrophobicContact CD1-CZ3 3.37Å; Y639-W778 HydrophobicContact CE1-CE3 4.1Å; Y639-W778 AromaticContact CE1-CZ3 3.99Å; Y639-W778 HydrophobicContact CE1-CZ3 3.99Å; Y639-W778 HydrophobicContact CG-CE3 4.25Å; Y639-W778 HydrophobicContact CG-CZ3 4.34Å; Y639-E780 PolarHBondContact OH-OE2 2.96Å; Y639-T781 HydrophobicContact CD2-CG2 3.72Å; Y639-T781 WeakPolarHBondContact CD2-OG1 3.4Å; Y639-T781 VanDerWaalsContact CE2-OG1 3.24Å; Y639-T781 WeakPolarHBondContact CE2-OG1 3.32Å; Y639-T781 HydrophobicContact CG-CG2 4.07Å
640	K	63.3	Low	78.1	Confident	123 Å²	123	71.9 Å²	71.9	54%	0.535	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.4	-179.6	-168.3	172	-177.9	173.1	0	113.3	I636 I637 N642	I636-K640 PolarHBondContact O-N 3.02Å; I636-K640 VanDerWaalsContact O-N 3.14Å; I637-K640 VanDerWaalsContact O-CB 3.3Å; I637-K640 WeakPolarHBondContact O-CB 3.05Å; I637-K640 PolarHBondContact O-N 3.43Å; K640-N642 VanDerWaalsContact C-N 3.26Å; K640-N642 PolarHBondContact O-N 3.29Å
641	S	55	Low	78	Confident	100 Å²	100	71.6 Å²	71.6	70%	0.699	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-3.5	-175.5	59.9	0	0	0	0	115.5	Y639	Y639-S641 PolarHBondContact O-N 2.93Å
642	N	54.9	Low	78.1	Confident	89 Å²	89	67.2 Å²	67.2	48%	0.476	34%	0.339	S	S	.	.	S	Bend	trans	-128.1	134.9	-177.2	-74.8	-14.2	0	0	0	114.4	K640 T644 W778	K640-N642 VanDerWaalsContact C-N 3.26Å; K640-N642 PolarHBondContact O-N 3.29Å; N642-T644 PolarHBondContact O-N 3.33Å; N642-W778 HydrophobicContact CB-CH2 3.81Å; N642-W778 HydrophobicContact CB-CZ2 3.59Å
643	L	57.8	Low	78.2	Confident	167 Å²	167	74.2 Å²	74.2	87%	0.874	37%	0.369	S	S	*	.			trans	-14	99.6	173.7	-66.3	154.7	0	0	0	116.3
644	T	63	Low	78.3	Confident	33 Å²	33	76.5 Å²	76.5	20%	0.202	38%	0.381	C	S	.	.			trans	-91.9	145.6	165.1	42	0	0	0	0	110.6	N642 N646 G647 C772 L773 Y790	N642-T644 PolarHBondContact O-N 3.33Å; T644-N646 PolarHBondContact O-N 3Å; T644-G647 WeakPolarHBondContact CB-O 3.33Å; T644-G647 PolarHBondContact OG1-O 2.03Å; T644-C772 WeakPolarHBondContact CA-O 3.31Å; T644-C772 WeakPolarHBondContact CB-O 3.3Å; T644-C772 HydrophobicContact CG2-CB 4.45Å; T644-C772 WeakPolarHBondContact CG2-O 3.36Å; T644-L773 HydrophobicContact CG2-CD2 4.17Å; T644-Y790 PolarHBondContact OG1-OH 3.24Å
645	K	66.2	Low	78.5	Confident	135 Å²	135	74.8 Å²	74.8	59%	0.587	37%	0.373	S	S	*	.	S	Bend	trans	-66.3	-31.8	-166	-72.9	178	179.2	172.8	0	115.2	C772	K645-C772 PolarHBondContact N-O 3.13Å; K645-C772 VanDerWaalsContact N-O 3.13Å
646	N	73.6	Confident	78.8	Confident	128 Å²	128	77.5 Å²	77.5	68%	0.684	39%	0.385	S	S	*	.	S	Bend	trans	-173	20.3	-178.1	-88.7	-28	0	0	0	113.5	T644	T644-N646 PolarHBondContact O-N 3Å
647	G	80.4	Confident	79.1	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	-173.1	-176.1	0	0	0	0	0	111	T644 T788 Y790	T644-G647 WeakPolarHBondContact CB-O 3.33Å; T644-G647 PolarHBondContact OG1-O 2.03Å; G647-T788 CarbonylContact C-O 3.42Å; G647-T788 WeakPolarHBondContact CA-O 3.12Å; G647-Y790 VanDerWaalsContact N-CE2 3.34Å; G647-Y790 VanDerWaalsContact O-CZ 3.29Å; G647-Y790 PolarHBondContact O-OH 2.79Å
648	Q	85	Confident	79.4	Confident	53 Å²	53	77.7 Å²	77.7	25%	0.248	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.6	175.5	60.8	180	-23.4	0	0	110.6	S650 C787 T788 Y790	Q648-S650 PolarHBondContact O-N 3.04Å; Q648-C787 WeakPolarHBondContact O-CA 3.36Å; Q648-T788 PolarHBondContact N-O 3.25Å; Q648-T788 PolarHBondContact O-N 3.17Å; Q648-T788 PolarHBondContact O-OG1 3.05Å; Q648-T788 VanDerWaalsContact O-OG1 3.1Å; Q648-Y790 HydrophobicContact CB-CE1 4.09Å; Q648-Y790 HydrophobicContact CG-CD1 4.49Å; Q648-Y790 HydrophobicContact CG-CE1 4.41Å
649	C	87.4	Confident	80	Confident	17 Å²	17	71.1 Å²	71.1	12%	0.115	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	118.3	166.9	-57.5	0	0	0	0	108.7	I636 C785 I786	I636-C649 HydrophobicContact CG2-CB 3.6Å; C649-C785 VanDerWaalsContact CA-SG 3.51Å; C649-C785 HydrophobicContact CB-CB 3.97Å; C649-C785 WeakPolarHBondContact CB-SG 2.96Å; C649-C785 WeakPolarHBondContact SG-CB 3.48Å; C649-C785 CovalentContact SG-SG 2.03Å; C649-C785 PolarHBondContact SG-SG 3.44Å; C649-I786 WeakPolarHBondContact CA-O 3.15Å
650	S	89.3	Confident	80.9	Confident	15 Å²	15	68.7 Å²	68.7	11%	0.105	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-71.1	144	175.4	59.1	0	0	0	0	110.7	Q648 I652 P734 I786	Q648-S650 PolarHBondContact O-N 3.04Å; S650-I652 PolarHBondContact O-N 2.97Å; S650-P734 WeakPolarHBondContact OG-CD 3.28Å; S650-P734 WeakPolarHBondContact OG-CG 3.21Å; S650-I786 PolarHBondContact N-O 3.38Å; S650-I786 PolarHBondContact OG-O 3.09Å
651	M	91.2	Very high	81.9	Confident	87 Å²	87	63.4 Å²	63.4	43%	0.429	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-62.7	132.3	165.2	-65.2	-73.2	-76.8	0	0	109	N633 I637	N633-M651 HydrophobicContact CB-CE 3.46Å; N633-M651 VanDerWaalsContact CB-CE 3.46Å; N633-M651 HydrophobicContact CB-SD 3.9Å; N633-M651 VanDerWaalsContact CG-CE 3.46Å; N633-M651 WeakPolarHBondContact OD1-CA 3.35Å; I637-M651 HydrophobicContact CD1-CE 3.72Å; I637-M651 HydrophobicContact CD1-SD 3.85Å; I637-M651 HydrophobicContact CG1-CE 4.34Å; I637-M651 HydrophobicContact CG1-SD 3.77Å
652	I	93.5	Very high	83	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.01	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-85.1	150.5	179.6	61.5	150.7	0	0	0	111.3	I629 I632 N633 I636 S650 V732 Q733 I786	I629-I652 HydrophobicContact CG2-CG1 4.43Å; I632-I652 HydrophobicContact CB-CD1 3.72Å; I632-I652 HydrophobicContact CB-CG1 4.27Å; I632-I652 HydrophobicContact CD1-CD1 3.64Å; I632-I652 HydrophobicContact CG1-CD1 4.27Å; I632-I652 HydrophobicContact CG2-CD1 3.49Å; I632-I652 VanDerWaalsContact CG2-CD1 3.49Å; I632-I652 HydrophobicContact CG2-CG1 3.85Å; N633-I652 PolarHBondContact ND2-O 3.47Å; N633-I652 WeakPolarHBondContact OD1-CG1 3.04Å; N633-I652 PolarHBondContact OD1-N 2.74Å; I636-I652 HydrophobicContact CD1-CG2 4.3Å; S650-I652 PolarHBondContact O-N 2.97Å; I652-V732 HydrophobicContact CB-CB 4.27Å; I652-V732 HydrophobicContact CB-CG2 4.03Å; I652-V732 HydrophobicContact CD1-CB 4.29Å; I652-V732 HydrophobicContact CD1-CG1 4.03Å; I652-V732 HydrophobicContact CD1-CG2 4.15Å; I652-V732 HydrophobicContact CG2-CG2 4.04Å; I652-Q733 CarbonylContact C-O 3.5Å; I652-Q733 WeakPolarHBondContact CA-O 3.44Å; I652-I786 HydrophobicContact CG2-CD1 4.09Å
653	K	95.8	Very high	84.1	Confident	146 Å²	146	55.2 Å²	55.2	64%	0.635	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.5	174.1	-64.2	-179.8	-178.2	177.7	0	109.8	H655 V732 Q733	K653-H655 PolarHBondContact O-N 3.4Å; K653-V732 CarbonylContact O-C 3.58Å; K653-V732 VanDerWaalsContact O-CA 3.23Å; K653-V732 WeakPolarHBondContact O-CA 3.02Å; K653-V732 VanDerWaalsContact O-CB 3.28Å; K653-V732 WeakPolarHBondContact O-CB 3.36Å; K653-Q733 PolarHBondContact N-O 3.12Å; K653-Q733 PolarHBondContact O-N 3.41Å
654	L	94.8	Very high	85	Confident	62 Å²	62	47.6 Å²	47.6	33%	0.325	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	131.4	175	-168.8	57.3	0	0	0	110.3	T625 I629 I657 I730	T625-L654 HydrophobicContact CG2-CD1 3.59Å; T625-L654 HydrophobicContact CG2-CD2 3.65Å; T625-L654 HydrophobicContact CG2-CG 4.19Å; I629-L654 HydrophobicContact CD1-CB 3.51Å; I629-L654 HydrophobicContact CD1-CD1 4.15Å; I629-L654 HydrophobicContact CD1-CG 4.27Å; L654-I657 HydrophobicContact CD1-CG1 4.23Å; L654-I657 HydrophobicContact CD2-CG1 4.21Å; L654-I730 HydrophobicContact CD1-CB 4.01Å; L654-I730 HydrophobicContact CD1-CG2 4.09Å
655	H	94.5	Very high	85.7	Confident	82 Å²	82	47.1 Å²	47.1	38%	0.38	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-55	163	178.4	57.2	0	0	0	110.2	K653 I731 Q733 Y736	K653-H655 PolarHBondContact O-N 3.4Å; H655-I731 WeakPolarHBondContact CA-O 3.19Å; H655-I731 HydrophobicContact CB-CG2 4.21Å; H655-I731 VanDerWaalsContact CB-O 3.3Å; H655-I731 WeakPolarHBondContact CB-O 3.37Å; H655-I731 PolarHBondContact N-O 3.43Å; H655-Q733 HydrophobicContact CB-CG 4.22Å; H655-Y736 AromaticContact CD2-CD1 3.56Å; H655-Y736 AromaticContact CD2-CE1 3.61Å; H655-Y736 AromaticContact CE1-CE1 3.56Å; H655-Y736 AromaticContact CG-CD1 3.87Å; H655-Y736 AromaticContact CG-CE1 3.77Å; H655-Y736 AromaticContact ND1-CE1 3.73Å; H655-Y736 AromaticContact NE2-CD1 3.84Å; H655-Y736 AromaticContact NE2-CE1 3.44Å; H655-Y736 WeakPolarHBondContact NE2-CE1 3.41Å
656	Q	93.2	Very high	86.5	Confident	93 Å²	93	41 Å²	41	44%	0.435	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152.4	-177.4	177.7	174.3	-29.3	0	0	110.6	E658 I731	Q656-E658 PolarHBondContact NE2-OE2 2.03Å; Q656-I731 PolarHBondContact N-O 2.97Å; Q656-I731 VanDerWaalsContact N-O 3.1Å; Q656-I731 PolarHBondContact O-N 2.86Å
657	I	92.3	Very high	86.9	Confident	20 Å²	20	37.8 Å²	37.8	10%	0.103	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114.5	165	-56	175.8	0	0	0	107.2	N616 I621 T625 L654 V660 I728 I730	N616-I657 PolarHBondContact ND2-O 3.24Å; N616-I657 VanDerWaalsContact ND2-O 3.14Å; I621-I657 HydrophobicContact CG2-CD1 3.88Å; T625-I657 HydrophobicContact CG2-CD1 4.21Å; T625-I657 HydrophobicContact CG2-CG1 4.2Å; T625-I657 WeakPolarHBondContact OG1-CD1 3.24Å; L654-I657 HydrophobicContact CD1-CG1 4.23Å; L654-I657 HydrophobicContact CD2-CG1 4.21Å; I657-V660 HydrophobicContact CG2-CG2 3.56Å; I657-I728 HydrophobicContact CG2-CG2 3.99Å; I657-I730 HydrophobicContact CG1-CG2 4.43Å
658	E	90.8	Very high	87.1	Confident	77 Å²	77	39.9 Å²	39.9	36%	0.36	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-50	-175.8	-176.3	64.3	-171.4	0	0	111.1	Q656 H729 I731	Q656-E658 PolarHBondContact NE2-OE2 2.03Å; E658-H729 HydrophobicContact CB-CB 4.26Å; E658-H729 WeakPolarHBondContact CG-ND1 3.46Å; E658-H729 PolarHBondContact N-O 3.48Å; E658-I731 HydrophobicContact CB-CD1 4.45Å; E658-I731 HydrophobicContact CB-CG1 4.41Å
659	S	89.8	Confident	87.2	Confident	14 Å²	14	37.3 Å²	37.3	10%	0.098	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	148.2	176.5	64.1	0	0	0	0	111.8	H729	S659-H729 PolarHBondContact N-O 3.1Å; S659-H729 PolarHBondContact O-N 3.28Å; S659-H729 WeakPolarHBondContact OG-CB 3.08Å
660	V	86.3	Confident	86.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.6	171.9	-176.6	0	0	0	0	107.9	K613 L614 I621 I657 R727 I728	K613-V660 WeakPolarHBondContact CA-O 3.28Å; L614-V660 HydrophobicContact CB-CB 4.27Å; L614-V660 HydrophobicContact CB-CG1 4.13Å; L614-V660 HydrophobicContact CD1-CG1 4.12Å; L614-V660 HydrophobicContact CG-CG1 4.47Å; L614-V660 PolarHBondContact N-O 3.03Å; I621-V660 HydrophobicContact CD1-CB 4.32Å; I621-V660 HydrophobicContact CD1-CG1 3.91Å; I621-V660 HydrophobicContact CD1-CG2 4.21Å; I621-V660 HydrophobicContact CG1-CG1 4.07Å; I621-V660 HydrophobicContact CG2-CG1 4.48Å; I621-V660 HydrophobicContact CG2-CG2 3.61Å; I657-V660 HydrophobicContact CG2-CG2 3.56Å; V660-R727 WeakPolarHBondContact CA-O 3.05Å; V660-I728 HydrophobicContact CG1-CG1 4.37Å; V660-I728 HydrophobicContact CG2-CG2 4.35Å
661	E	84.4	Confident	86.5	Confident	11 Å²	11	43 Å²	43	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.8	176.6	-64.7	170.8	156.9	0	0	110.5	Q63 W611 I612 K613 L726 R727	Q63-E661 PolarHBondContact NE2-OE1 3.48Å; W611-E661 HydrophobicContact CB-CB 4.2Å; W611-E661 HydrophobicContact CE3-CB 4.06Å; I612-E661 CarbonylContact O-C 3.55Å; I612-E661 WeakPolarHBondContact O-CA 3.35Å; K613-E661 HydrophobicContact CB-CG 4.45Å; E661-L726 CarbonylContact O-C 3.56Å; E661-L726 VanDerWaalsContact O-CA 3.29Å; E661-L726 WeakPolarHBondContact O-CA 3.04Å; E661-R727 HydrophobicContact CB-CB 4.45Å; E661-R727 PolarHBondContact N-O 3.43Å; E661-R727 PolarHBondContact O-N 2.89Å; E661-R727 IonicContact OE1-NH2 3.62Å; E661-R727 IonicContact OE2-CZ 3.74Å; E661-R727 IonicContact OE2-NE 3.4Å; E661-R727 PolarHBondContact OE2-NE 2.9Å; E661-R727 IonicContact OE2-NH2 3.42Å; E661-R727 PolarHBondContact OE2-NH2 2.93Å
662	Q	79.2	Confident	86.2	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.019	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.6	172.5	179	168.4	-16	0	0	110.1	I612 L614 I704 L725 L726	I612-Q662 PolarHBondContact N-O 3.2Å; I612-Q662 PolarHBondContact O-N 3.32Å; L614-Q662 HydrophobicContact CD1-CB 3.91Å; L614-Q662 HydrophobicContact CD2-CB 4.17Å; L614-Q662 HydrophobicContact CG-CB 4.1Å; Q662-I704 VanDerWaalsContact OE1-CG1 3.27Å; Q662-L725 WeakPolarHBondContact CA-O 3.14Å; Q662-L726 HydrophobicContact CB-CD2 3.99Å; Q662-L726 HydrophobicContact CG-CD2 4.35Å
663	A	78.1	Confident	85.5	Confident	13 Å²	13	41 Å²	41	11%	0.107	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.6	173.6	0	0	0	0	0	110.5	L609 N610 W611 L725	L609-A663 HydrophobicContact CB-CB 4.24Å; L609-A663 HydrophobicContact CD1-CB 3.88Å; L609-A663 HydrophobicContact CD2-CB 4.13Å; L609-A663 HydrophobicContact CG-CB 4.32Å; N610-A663 CarbonylContact O-C 3.58Å; N610-A663 WeakPolarHBondContact O-CA 3.28Å; W611-A663 HydrophobicContact CD2-CB 4.22Å; W611-A663 HydrophobicContact CE3-CB 3.74Å; W611-A663 HydrophobicContact CH2-CB 3.6Å; W611-A663 HydrophobicContact CZ2-CB 4.08Å; W611-A663 HydrophobicContact CZ3-CB 3.39Å; A663-L725 HydrophobicContact CB-CB 3.74Å; A663-L725 HydrophobicContact CB-CD2 3.78Å; A663-L725 HydrophobicContact CB-CG 4.12Å; A663-L725 PolarHBondContact N-O 3.17Å
664	I	76.3	Confident	84.9	Confident	7 Å²	7	40.2 Å²	40.2	4%	0.036	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.8	-177.7	-64.3	179.1	0	0	0	108	N610 I612 W698 I704	N610-I664 HydrophobicContact CB-CB 4.46Å; N610-I664 PolarHBondContact N-O 2.69Å; N610-I664 PolarHBondContact O-N 3.29Å; I612-I664 HydrophobicContact CB-CD1 3.98Å; I612-I664 HydrophobicContact CD1-CD1 3.11Å; I612-I664 HydrophobicContact CD1-CG1 4.48Å; I612-I664 HydrophobicContact CG1-CD1 3.43Å; I612-I664 VanDerWaalsContact CG1-CD1 3.43Å; I612-I664 HydrophobicContact CG1-CG1 4.47Å; I664-W698 HydrophobicContact CB-CH2 3.78Å; I664-W698 HydrophobicContact CB-CZ2 4.5Å; I664-W698 HydrophobicContact CB-CZ3 4.05Å; I664-W698 HydrophobicContact CD1-CE3 3.67Å; I664-W698 HydrophobicContact CD1-CH2 3.9Å; I664-W698 HydrophobicContact CD1-CZ3 3.25Å; I664-W698 HydrophobicContact CG1-CE3 4.25Å; I664-W698 HydrophobicContact CG1-CH2 3.57Å; I664-W698 HydrophobicContact CG1-CZ3 3.34Å; I664-W698 HydrophobicContact CG2-CE3 4.4Å; I664-W698 HydrophobicContact CG2-CH2 3.16Å; I664-W698 HydrophobicContact CG2-CZ2 3.43Å; I664-W698 VanDerWaalsContact CG2-CZ2 3.43Å; I664-W698 HydrophobicContact CG2-CZ3 3.71Å; I664-I704 HydrophobicContact CD1-CD1 4.37Å
665	L	78.7	Confident	84.4	Confident	23 Å²	23	38 Å²	38	12%	0.12	18%	0.18	C	C	.	.			trans	-66.8	143.5	172.9	-63	168.3	0	0	0	110	P70 V487 L609 Q667 M669 V670	P70-L665 HydrophobicContact CB-CD2 4.3Å; P70-L665 HydrophobicContact CG-CD2 3.78Å; V487-L665 HydrophobicContact CB-CD1 4.42Å; V487-L665 HydrophobicContact CG1-CD1 3.44Å; V487-L665 VanDerWaalsContact CG1-CD1 3.44Å; V487-L665 HydrophobicContact CG1-CD2 4.39Å; V487-L665 HydrophobicContact CG2-CD1 4.06Å; L609-L665 HydrophobicContact CD2-CD2 3.95Å; L665-Q667 PolarHBondContact O-N 3.13Å; L665-Q667 PolarHBondContact O-NE2 3.04Å; L665-Q667 VanDerWaalsContact O-NE2 3.14Å; L665-M669 HydrophobicContact CB-CE 4.21Å; L665-M669 HydrophobicContact CD2-CE 4.11Å; L665-V670 HydrophobicContact CB-CG2 3.58Å; L665-V670 HydrophobicContact CD1-CG2 4.06Å; L665-V670 HydrophobicContact CG-CG2 4.47Å
666	P	82.8	Confident	83.9	Confident	8 Å²	8	40.1 Å²	40.1	5%	0.052	19%	0.19	C	C	.	.			trans	-55.3	123	172.7	-28	37.3	0	0	0	111.2	C608 D668 M669 V670	C608-P666 WeakPolarHBondContact O-CG 3.18Å; P666-D668 VanDerWaalsContact C-N 3.33Å; P666-D668 PolarHBondContact O-N 3.07Å; P666-M669 HydrophobicContact CB-CB 3.94Å; P666-M669 WeakPolarHBondContact O-CB 3.33Å; P666-M669 PolarHBondContact O-N 2.83Å; P666-M669 VanDerWaalsContact O-N 3.14Å; P666-V670 WeakPolarHBondContact O-CG2 2.92Å; P666-V670 PolarHBondContact O-N 3.48Å
667	Q	80.9	Confident	83.4	Confident	59 Å²	59	37.4 Å²	37.4	28%	0.276	18%	0.179	S	C	.	.	H	α-helix	trans	-62.6	-40.5	-172.9	-64.2	-55.4	-52.8	0	0	112.3	L665 M669 V670 R671 W698	L665-Q667 PolarHBondContact O-N 3.13Å; L665-Q667 PolarHBondContact O-NE2 3.04Å; L665-Q667 VanDerWaalsContact O-NE2 3.14Å; Q667-M669 VanDerWaalsContact C-N 3.3Å; Q667-M669 PolarHBondContact O-N 3.39Å; Q667-V670 PolarHBondContact O-N 2.83Å; Q667-R671 WeakPolarHBondContact O-CB 3.24Å; Q667-R671 VanDerWaalsContact O-CG 3.28Å; Q667-R671 WeakPolarHBondContact O-CG 3.26Å; Q667-R671 PolarHBondContact O-N 3.47Å; Q667-W698 VanDerWaalsContact NE2-NE1 3.11Å
668	D	85.7	Confident	82.7	Confident	44 Å²	44	45.2 Å²	45.2	24%	0.235	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-36.6	178	-70.2	-1.5	0	0	0	111.4	S603 H604 P666 R671 F672 F685	S603-D668 WeakPolarHBondContact CB-OD2 3.14Å; S603-D668 PolarHBondContact OG-OD2 2.83Å; H604-D668 HydrophobicContact CB-CB 4.06Å; P666-D668 VanDerWaalsContact C-N 3.33Å; P666-D668 PolarHBondContact O-N 3.07Å; D668-R671 PolarHBondContact O-N 3.16Å; D668-R671 IonicContact OD1-CZ 2.61Å; D668-R671 IonicContact OD1-NE 3.61Å; D668-R671 IonicContact OD1-NH2 3.8Å; D668-R671 PolarHBondContact OD1-NH2 3.03Å; D668-F672 VanDerWaalsContact O-CB 3.23Å; D668-F672 WeakPolarHBondContact O-CB 3.31Å; D668-F672 PolarHBondContact O-N 2.9Å; D668-F685 HydrophobicContact CB-CE1 4.06Å; D668-F685 WeakPolarHBondContact O-CE1 3.19Å
669	M	86.1	Confident	82.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-46	174	-178.6	-84.4	-71.9	0	0	111	K490 L491 R494 C606 L665 P666 Q667 F672	K490-M669 HydrophobicContact CB-SD 3.6Å; K490-M669 VanDerWaalsContact CB-SD 3.6Å; K490-M669 HydrophobicContact CD-SD 4.18Å; K490-M669 HydrophobicContact CG-SD 4.49Å; L491-M669 HydrophobicContact CD2-CE 3.9Å; L491-M669 HydrophobicContact CG-CE 4.33Å; R494-M669 VanDerWaalsContact NE-CG 3.3Å; C606-M669 WeakPolarHBondContact O-CB 3.12Å; L665-M669 HydrophobicContact CB-CE 4.21Å; L665-M669 HydrophobicContact CD2-CE 4.11Å; P666-M669 HydrophobicContact CB-CB 3.94Å; P666-M669 WeakPolarHBondContact O-CB 3.33Å; P666-M669 PolarHBondContact O-N 2.83Å; P666-M669 VanDerWaalsContact O-N 3.14Å; Q667-M669 VanDerWaalsContact C-N 3.3Å; Q667-M669 PolarHBondContact O-N 3.39Å; M669-F672 PolarHBondContact O-N 2.92Å
670	V	80.4	Confident	81.8	Confident	45 Å²	45	42.2 Å²	42.2	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-65.3	-41.1	179	177	0	0	0	0	111.4	K490 L665 P666 Q667	K490-V670 PolarHBondContact NZ-O 3.14Å; L665-V670 HydrophobicContact CB-CG2 3.58Å; L665-V670 HydrophobicContact CD1-CG2 4.06Å; L665-V670 HydrophobicContact CG-CG2 4.47Å; P666-V670 WeakPolarHBondContact O-CG2 2.92Å; P666-V670 PolarHBondContact O-N 3.48Å; Q667-V670 PolarHBondContact O-N 2.83Å
671	R	82	Confident	81.5	Confident	105 Å²	105	45.8 Å²	45.8	40%	0.396	22%	0.217	S	C	.	.	H	α-helix	trans	-78.4	-20.1	-178.7	-68.3	-175.2	-60.7	170.6	0.9	114.2	Q667 D668 I673 F685 E686	Q667-R671 WeakPolarHBondContact O-CB 3.24Å; Q667-R671 VanDerWaalsContact O-CG 3.28Å; Q667-R671 WeakPolarHBondContact O-CG 3.26Å; Q667-R671 PolarHBondContact O-N 3.47Å; D668-R671 PolarHBondContact O-N 3.16Å; D668-R671 IonicContact OD1-CZ 2.61Å; D668-R671 IonicContact OD1-NE 3.61Å; D668-R671 IonicContact OD1-NH2 3.8Å; D668-R671 PolarHBondContact OD1-NH2 3.03Å; R671-I673 PolarHBondContact O-N 3.39Å; R671-F685 HydrophobicContact CB-CB 4.45Å; R671-F685 HydrophobicContact CB-CD1 4.01Å; R671-F685 WeakPolarHBondContact O-CA 3.37Å; R671-E686 PolarHBondContact O-N 2.88Å
672	F	83.8	Confident	81.6	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	123.9	-178.8	174.2	-96	0	0	0	111	K490 H604 W605 D668 M669 R674 P683 F685	K490-F672 PolarHBondContact NZ-O 2.85Å; H604-F672 HydrophobicContact CB-CB 4.01Å; H604-F672 HydrophobicContact CB-CD2 4.2Å; H604-F672 HydrophobicContact CB-CG 4.28Å; H604-F672 AromaticContact CD2-CD2 3.71Å; H604-F672 AromaticContact CD2-CE2 3.81Å; W605-F672 AromaticContact CH2-CE1 3.67Å; W605-F672 HydrophobicContact CH2-CE1 3.67Å; W605-F672 AromaticContact CH2-CZ 3.7Å; W605-F672 HydrophobicContact CH2-CZ 3.7Å; W605-F672 HydrophobicContact CZ2-CE1 4.1Å; W605-F672 HydrophobicContact CZ2-CE2 4.34Å; W605-F672 AromaticContact CZ2-CZ 3.69Å; W605-F672 HydrophobicContact CZ2-CZ 3.69Å; W605-F672 HydrophobicContact CZ3-CE1 4.29Å; D668-F672 VanDerWaalsContact O-CB 3.23Å; D668-F672 WeakPolarHBondContact O-CB 3.31Å; D668-F672 PolarHBondContact O-N 2.9Å; M669-F672 PolarHBondContact O-N 2.92Å; F672-R674 WeakPolarHBondContact CE2-O 3.47Å; F672-P683 HydrophobicContact CD2-CB 3.8Å; F672-P683 HydrophobicContact CE2-CB 3.79Å; F672-F685 HydrophobicContact CB-CD1 4.19Å; F672-F685 HydrophobicContact CB-CE1 4.03Å; F672-F685 HydrophobicContact CD2-CE1 4.44Å
673	I	80.2	Confident	82	Confident	46 Å²	46	50.9 Å²	50.9	24%	0.236	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-55.2	179.5	-59.6	172.3	0	0	0	109.7	R484 L485 R671 M684 E686	R484-I673 PolarHBondContact NH1-O 3.32Å; R484-I673 PolarHBondContact NH2-O 2.86Å; L485-I673 HydrophobicContact CD2-CG2 4.44Å; R671-I673 PolarHBondContact O-N 3.39Å; I673-M684 HydrophobicContact CB-CE 3.73Å; I673-M684 HydrophobicContact CD1-CE 3.92Å; I673-M684 HydrophobicContact CG1-CE 4.43Å; I673-M684 HydrophobicContact CG2-CE 3.61Å; I673-M684 PolarHBondContact N-O 2.89Å; I673-E686 HydrophobicContact CD1-CB 3.83Å; I673-E686 HydrophobicContact CD1-CG 4.37Å; I673-E686 HydrophobicContact CG1-CB 4.3Å
674	R	81.8	Confident	82.3	Confident	129 Å²	129	52.5 Å²	52.5	49%	0.487	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	176.8	-177.5	58.9	-177.9	-179	99.4	-3.6	110.1	F672 M684	F672-R674 WeakPolarHBondContact CE2-O 3.47Å; R674-M684 HydrophobicContact CG-CB 4.46Å; R674-M684 HydrophobicContact CG-CE 3.65Å; R674-M684 HydrophobicContact CG-SD 4.37Å; R674-M684 WeakPolarHBondContact O-CA 3.29Å; R674-M684 WeakPolarHBondContact O-CB 3.38Å; R674-M684 PolarHBondContact O-N 3Å
675	S	85.2	Confident	82.8	Confident	16 Å²	16	55.1 Å²	55.1	11%	0.112	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	139.5	165.3	-65.1	0	0	0	0	111.3	D278 G680 I682	D278-S675 VanDerWaalsContact CG-OG 3.31Å; D278-S675 PolarHBondContact OD2-OG 2.93Å; S675-G680 WeakPolarHBondContact OG-CA 3.28Å; S675-I682 CarbonylContact C-O 3.59Å; S675-I682 WeakPolarHBondContact CA-O 3.48Å
676	Q	83.6	Confident	82.7	Confident	127 Å²	127	58.9 Å²	58.9	59%	0.593	28%	0.28	S	S	*	.	S	Bend	trans	-81.2	-36.5	179.6	-172.3	175.8	5.7	0	0	111.5	I682 M684	Q676-I682 HydrophobicContact CB-CB 4.22Å; Q676-I682 HydrophobicContact CB-CG2 3.99Å; Q676-I682 PolarHBondContact N-O 3.34Å; Q676-M684 HydrophobicContact CB-CB 4.09Å
677	D	82.3	Confident	81.9	Confident	36 Å²	36	67.5 Å²	67.5	19%	0.193	32%	0.319	C	S	.	.	S	Bend	trans	-93.7	157.8	178	64.8	-36.3	0	0	0	112.1	D679 G680 R681 I682	D677-D679 PolarHBondContact O-N 3.48Å; D677-D679 WeakPolarHBondContact OD2-CB 3.41Å; D677-G680 PolarHBondContact O-N 2.8Å; D677-G680 PolarHBondContact OD1-N 2.77Å; D677-G680 PolarHBondContact OD2-N 2.79Å; D677-R681 PolarHBondContact OD1-N 2.85Å; D677-R681 WeakPolarHBondContact OD2-CB 3.3Å; D677-R681 PolarHBondContact OD2-N 3.12Å; D677-I682 HydrophobicContact CB-CB 4.36Å; D677-I682 HydrophobicContact CB-CD1 4.25Å; D677-I682 HydrophobicContact CB-CG1 4.3Å; D677-I682 PolarHBondContact OD1-N 2.57Å
678	E	77.9	Confident	80.3	Confident	183 Å²	183	72.4 Å²	72.4	86%	0.855	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.3	176.6	-64.1	-175.9	170.5	0	0	112.4	R351	R351-E678 WeakPolarHBondContact CD-O 3.33Å
679	D	79.8	Confident	78.2	Confident	15 Å²	15	76.6 Å²	76.6	8%	0.08	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.8	-176.7	-65.8	-41.8	0	0	0	113.5	R300 S302 H303 R351 D677 R681	R300-D679 IonicContact CZ-OD2 3.52Å; R300-D679 IonicContact NE-OD2 3.09Å; R300-D679 IonicContact NH1-OD2 3.1Å; R300-D679 PolarHBondContact NH1-OD2 3.1Å; S302-D679 PolarHBondContact OG-OD1 3.13Å; S302-D679 PolarHBondContact OG-OD2 2.84Å; H303-D679 IonicContact CE1-OD2 3.72Å; H303-D679 PolarHBondContact CE1-OD2 3.17Å; H303-D679 IonicContact ND1-OD2 3.33Å; R351-D679 PolarHBondContact NH1-O 2.79Å; D677-D679 PolarHBondContact O-N 3.48Å; D677-D679 WeakPolarHBondContact OD2-CB 3.41Å; D679-R681 HydrophobicContact CB-CG 4.47Å
680	G	81.5	Confident	75.8	Confident	14 Å²	14	80.5 Å²	80.5	14%	0.144	38%	0.383	C	S	.	.	S	Bend	trans	84.3	21	-180	0	0	0	0	0	115	S675 D677	S675-G680 WeakPolarHBondContact OG-CA 3.28Å; D677-G680 PolarHBondContact O-N 2.8Å; D677-G680 PolarHBondContact OD1-N 2.77Å; D677-G680 PolarHBondContact OD2-N 2.79Å
681	R	82	Confident	73.7	Confident	75 Å²	75	83.6 Å²	83.6	28%	0.283	41%	0.407	S	S	.	.			trans	-99.7	-26.3	-176	-65.6	-168.1	177.6	179.9	2.4	113.9	E293 E298 R300 D677 D679	E293-R681 IonicContact OE1-CZ 3.56Å; E293-R681 IonicContact OE1-NE 3.1Å; E293-R681 PolarHBondContact OE1-NE 3.23Å; E293-R681 IonicContact OE1-NH2 3.69Å; E293-R681 PolarHBondContact OE1-NH2 2.65Å; E298-R681 IonicContact OE1-NH2 2.68Å; E298-R681 IonicContact OE2-CZ 2.72Å; E298-R681 IonicContact OE2-NH1 3.36Å; E298-R681 PolarHBondContact OE2-NH1 3.17Å; E298-R681 VanDerWaalsContact OE2-NH1 3.1Å; E298-R681 IonicContact OE2-NH2 3.6Å; R300-R681 VanDerWaalsContact NE-NH2 3.11Å; D677-R681 PolarHBondContact OD1-N 2.85Å; D677-R681 WeakPolarHBondContact OD2-CB 3.3Å; D677-R681 PolarHBondContact OD2-N 3.12Å; D679-R681 HydrophobicContact CB-CG 4.47Å
682	I	85.2	Confident	71.3	Confident	86 Å²	86	85 Å²	85	44%	0.441	43%	0.427	S	S	.	.	S	Bend	trans	-103.5	111.7	-176.1	-55.8	179.4	0	0	0	108.5	S675 Q676 D677	S675-I682 CarbonylContact C-O 3.59Å; S675-I682 WeakPolarHBondContact CA-O 3.48Å; Q676-I682 HydrophobicContact CB-CB 4.22Å; Q676-I682 HydrophobicContact CB-CG2 3.99Å; Q676-I682 PolarHBondContact N-O 3.34Å; D677-I682 HydrophobicContact CB-CB 4.36Å; D677-I682 HydrophobicContact CB-CD1 4.25Å; D677-I682 HydrophobicContact CB-CG1 4.3Å; D677-I682 PolarHBondContact OD1-N 2.57Å
683	P	88.3	Confident	68.9	Low	36 Å²	36	89.2 Å²	89.2	23%	0.234	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	135.1	176.7	29.2	-34.6	0	0	0	111.5	F672 F685	F672-P683 HydrophobicContact CD2-CB 3.8Å; F672-P683 HydrophobicContact CE2-CB 3.79Å; P683-F685 HydrophobicContact CB-CD2 4.36Å; P683-F685 HydrophobicContact CB-CE2 3.64Å; P683-F685 HydrophobicContact CB-CZ 3.72Å; P683-F685 HydrophobicContact CG-CD2 4.46Å; P683-F685 HydrophobicContact CG-CE2 3.51Å; P683-F685 HydrophobicContact CG-CZ 3.84Å
684	M	85	Confident	67.1	Low	47 Å²	47	89.9 Å²	89.9	23%	0.232	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.5	167.5	-165	-177.2	80.7	0	0	108.9	I673 R674 Q676	I673-M684 HydrophobicContact CB-CE 3.73Å; I673-M684 HydrophobicContact CD1-CE 3.92Å; I673-M684 HydrophobicContact CG1-CE 4.43Å; I673-M684 HydrophobicContact CG2-CE 3.61Å; I673-M684 PolarHBondContact N-O 2.89Å; R674-M684 HydrophobicContact CG-CB 4.46Å; R674-M684 HydrophobicContact CG-CE 3.65Å; R674-M684 HydrophobicContact CG-SD 4.37Å; R674-M684 WeakPolarHBondContact O-CA 3.29Å; R674-M684 WeakPolarHBondContact O-CB 3.38Å; R674-M684 PolarHBondContact O-N 3Å; Q676-M684 HydrophobicContact CB-CB 4.09Å
685	F	85.5	Confident	65.2	Low	62 Å²	62	88.7 Å²	88.7	27%	0.272	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	153.7	174.7	-61.4	-79	0	0	0	110.3	H604 D668 R671 F672 P683 E687	H604-F685 HydrophobicContact CB-CE1 3.76Å; H604-F685 HydrophobicContact CB-CZ 3.95Å; D668-F685 HydrophobicContact CB-CE1 4.06Å; D668-F685 WeakPolarHBondContact O-CE1 3.19Å; R671-F685 HydrophobicContact CB-CB 4.45Å; R671-F685 HydrophobicContact CB-CD1 4.01Å; R671-F685 WeakPolarHBondContact O-CA 3.37Å; F672-F685 HydrophobicContact CB-CD1 4.19Å; F672-F685 HydrophobicContact CB-CE1 4.03Å; F672-F685 HydrophobicContact CD2-CE1 4.44Å; P683-F685 HydrophobicContact CB-CD2 4.36Å; P683-F685 HydrophobicContact CB-CE2 3.64Å; P683-F685 HydrophobicContact CB-CZ 3.72Å; P683-F685 HydrophobicContact CG-CD2 4.46Å; P683-F685 HydrophobicContact CG-CE2 3.51Å; P683-F685 HydrophobicContact CG-CZ 3.84Å; F685-E687 PolarHBondContact O-N 3.4Å
686	E	76.3	Confident	63	Low	102 Å²	102	92.4 Å²	92.4	48%	0.477	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-61.6	121.8	168.1	-166.4	166.9	-159.4	0	0	110.3	R671 I673 Q688	R671-E686 PolarHBondContact O-N 2.88Å; I673-E686 HydrophobicContact CD1-CB 3.83Å; I673-E686 HydrophobicContact CD1-CG 4.37Å; I673-E686 HydrophobicContact CG1-CB 4.3Å; E686-Q688 VanDerWaalsContact C-N 3.3Å; E686-Q688 PolarHBondContact O-N 3.46Å
687	E	66.5	Low	61	Low	188 Å²	188	88.4 Å²	88.4	88%	0.879	46%	0.455	S	S	*	.			trans	-71.4	-22.7	-177.6	-67.7	-176.2	170.6	0	0	113	F685	F685-E687 PolarHBondContact O-N 3.4Å
688	Q	48.5	Very low	59.2	Low	163 Å²	163	88.2 Å²	88.2	76%	0.762	45%	0.452	S	S	*	.			trans	-115.3	77.4	-167.2	-71.6	-174.1	-10	0	0	113.6	E686	E686-Q688 VanDerWaalsContact C-N 3.3Å; E686-Q688 PolarHBondContact O-N 3.46Å
689	Y	40.8	Very low	57.6	Low	131 Å²	131	80.8 Å²	80.8	51%	0.514	42%	0.418	S	S	.	.	S	Bend		-120	118.6	122.6	-85.6	-91.6	0	0	0	105.3	S691 W693 Q701	Y689-S691 PolarHBondContact O-N 3.33Å; Y689-W693 AromaticContact CD1-CE2 3.91Å; Y689-W693 HydrophobicContact CD1-CH2 4.06Å; Y689-W693 AromaticContact CD1-CZ2 3.58Å; Y689-W693 HydrophobicContact CD1-CZ2 3.58Å; Y689-W693 HydrophobicContact CE1-CH2 4.13Å; Y689-W693 HydrophobicContact CE1-CZ2 4.02Å; Y689-Q701 VanDerWaalsContact CE1-NE2 3.35Å; Y689-Q701 PolarHBondContact OH-NE2 3.2Å; Y689-Q701 VanDerWaalsContact OH-NE2 3.15Å
690	S	35.5	Very low	55.9	Low	83 Å²	83	85.3 Å²	85.3	58%	0.58	44%	0.437	S	S	*	.			trans	-32.5	127	-178.2	57.6	0	0	0	0	112.2	T692 W693	S690-T692 PolarHBondContact O-N 3.03Å; S690-W693 PolarHBondContact OG-NE1 3.45Å; S690-W693 VanDerWaalsContact OG-NE1 3.13Å
691	S	36.9	Very low	54.1	Low	109 Å²	109	87.5 Å²	87.5	76%	0.762	44%	0.443	S	S	*	.	S	Bend	trans	-33.4	134.7	166.3	41.6	0	0	0	0	111.9	Y689	Y689-S691 PolarHBondContact O-N 3.33Å
692	T	30.4	Very low	52.4	Low	134 Å²	134	86 Å²	86	82%	0.822	44%	0.439	S	S	*	.			trans	66.2	66.6	-177.7	71	0	0	0	0	115.3	S690	S690-T692 PolarHBondContact O-N 3.03Å
693	W	34.3	Very low	50.6	Low	91 Å²	91	85.2 Å²	85.2	35%	0.345	44%	0.436	S	S	.	.			trans	-81.8	111.6	148.6	-78	42.5	0	0	0	106.8	Y689 S690 D697 Q701	Y689-W693 AromaticContact CD1-CE2 3.91Å; Y689-W693 HydrophobicContact CD1-CH2 4.06Å; Y689-W693 AromaticContact CD1-CZ2 3.58Å; Y689-W693 HydrophobicContact CD1-CZ2 3.58Å; Y689-W693 HydrophobicContact CE1-CH2 4.13Å; Y689-W693 HydrophobicContact CE1-CZ2 4.02Å; S690-W693 PolarHBondContact OG-NE1 3.45Å; S690-W693 VanDerWaalsContact OG-NE1 3.13Å; W693-D697 HydrophobicContact CB-CB 3.94Å; W693-D697 HydrophobicContact CD2-CB 3.76Å; W693-D697 HydrophobicContact CE3-CB 3.67Å; W693-D697 HydrophobicContact CG-CB 3.92Å; W693-D697 HydrophobicContact CZ3-CB 4.36Å; W693-D697 WeakPolarHBondContact CZ3-O 3.41Å; W693-Q701 HydrophobicContact CH2-CB 3.83Å; W693-Q701 VanDerWaalsContact CH2-CD 3.47Å; W693-Q701 HydrophobicContact CH2-CG 4.09Å; W693-Q701 HydrophobicContact CZ3-CB 3.49Å; W693-Q701 VanDerWaalsContact CZ3-CB 3.49Å; W693-Q701 HydrophobicContact CZ3-CG 4.11Å
694	S	42.4	Very low	48.5	Very low	60 Å²	60	83.8 Å²	83.8	42%	0.42	43%	0.426	S	S	.	.			trans	-61.1	161.3	165.4	65.8	0	0	0	0	108.7	L696 D697 W698	S694-L696 PolarHBondContact O-N 2.75Å; S694-L696 VanDerWaalsContact OG-CB 3.31Å; S694-L696 WeakPolarHBondContact OG-CB 3.49Å; S694-L696 PolarHBondContact OG-N 2.8Å; S694-D697 PolarHBondContact N-OD2 3.43Å; S694-D697 PolarHBondContact O-N 3.06Å; S694-D697 PolarHBondContact OG-N 3.22Å; S694-D697 PolarHBondContact OG-OD2 3.13Å; S694-W698 PolarHBondContact O-N 3.15Å
695	L	41	Very low	46.8	Very low	104 Å²	104	84.6 Å²	84.6	55%	0.545	43%	0.428	S	S	.	.	H	α-helix	trans	-45.4	-35	169.2	-169	67.7	0	0	0	111.6	I612 I699	I612-L695 HydrophobicContact CD1-CD1 3.44Å; I612-L695 VanDerWaalsContact CD1-CD1 3.44Å; L695-I699 HydrophobicContact CD2-CD1 4.46Å; L695-I699 HydrophobicContact CG-CD1 4.03Å; L695-I699 WeakPolarHBondContact O-CB 3.11Å; L695-I699 WeakPolarHBondContact O-CD1 3.4Å; L695-I699 WeakPolarHBondContact O-CG1 3.07Å; L695-I699 PolarHBondContact O-N 3.3Å
696	L	39.5	Very low	44.6	Very low	95 Å²	95	86.3 Å²	86.3	50%	0.497	44%	0.44	S	S	.	.	H	α-helix	trans	-64.4	-34.4	176.7	-108.3	84.9	0	0	0	114.7	S694 I699 K700	S694-L696 PolarHBondContact O-N 2.75Å; S694-L696 VanDerWaalsContact OG-CB 3.31Å; S694-L696 WeakPolarHBondContact OG-CB 3.49Å; S694-L696 PolarHBondContact OG-N 2.8Å; L696-I699 WeakPolarHBondContact O-CB 3.39Å; L696-I699 PolarHBondContact O-N 3.1Å; L696-K700 VanDerWaalsContact O-CG 3.26Å; L696-K700 WeakPolarHBondContact O-CG 3.18Å; L696-K700 PolarHBondContact O-N 2.85Å
697	D	42.6	Very low	43	Very low	42 Å²	42	85.7 Å²	85.7	23%	0.225	45%	0.447	C	S	.	.	H	α-helix	trans	-76.9	-33.7	-178.1	-57.3	-48.9	0	0	0	110.8	W693 S694 K700 Q701	W693-D697 HydrophobicContact CB-CB 3.94Å; W693-D697 HydrophobicContact CD2-CB 3.76Å; W693-D697 HydrophobicContact CE3-CB 3.67Å; W693-D697 HydrophobicContact CG-CB 3.92Å; W693-D697 HydrophobicContact CZ3-CB 4.36Å; W693-D697 WeakPolarHBondContact CZ3-O 3.41Å; S694-D697 PolarHBondContact N-OD2 3.43Å; S694-D697 PolarHBondContact O-N 3.06Å; S694-D697 PolarHBondContact OG-N 3.22Å; S694-D697 PolarHBondContact OG-OD2 3.13Å; D697-K700 PolarHBondContact O-N 2.82Å; D697-K700 IonicContact OD1-NZ 2.91Å; D697-K700 PolarHBondContact OD1-NZ 3Å; D697-Q701 PolarHBondContact O-N 2.82Å
698	W	43.5	Very low	41.6	Very low	32 Å²	32	83.5 Å²	83.5	12%	0.121	44%	0.442	C	S	.	.	H	α-helix	trans	-66.5	-42.2	169.8	-151.4	88.9	0	0	0	111.5	I664 Q667 S694 K700 Q701 F702 I704	I664-W698 HydrophobicContact CB-CH2 3.78Å; I664-W698 HydrophobicContact CB-CZ2 4.5Å; I664-W698 HydrophobicContact CB-CZ3 4.05Å; I664-W698 HydrophobicContact CD1-CE3 3.67Å; I664-W698 HydrophobicContact CD1-CH2 3.9Å; I664-W698 HydrophobicContact CD1-CZ3 3.25Å; I664-W698 HydrophobicContact CG1-CE3 4.25Å; I664-W698 HydrophobicContact CG1-CH2 3.57Å; I664-W698 HydrophobicContact CG1-CZ3 3.34Å; I664-W698 HydrophobicContact CG2-CE3 4.4Å; I664-W698 HydrophobicContact CG2-CH2 3.16Å; I664-W698 HydrophobicContact CG2-CZ2 3.43Å; I664-W698 VanDerWaalsContact CG2-CZ2 3.43Å; I664-W698 HydrophobicContact CG2-CZ3 3.71Å; Q667-W698 VanDerWaalsContact NE2-NE1 3.11Å; S694-W698 PolarHBondContact O-N 3.15Å; W698-K700 VanDerWaalsContact C-N 3.29Å; W698-K700 PolarHBondContact O-N 2.55Å; W698-Q701 PolarHBondContact O-N 3.3Å; W698-F702 AromaticContact CD2-CD2 3.51Å; W698-F702 HydrophobicContact CD2-CD2 3.51Å; W698-F702 AromaticContact CD2-CE2 3.85Å; W698-F702 HydrophobicContact CD2-CE2 3.85Å; W698-F702 HydrophobicContact CD2-CG 4.39Å; W698-F702 AromaticContact CE2-CD2 3.38Å; W698-F702 AromaticContact CE2-CE2 3.19Å; W698-F702 HydrophobicContact CE3-CB 4.18Å; W698-F702 AromaticContact CE3-CD2 3.55Å; W698-F702 HydrophobicContact CE3-CD2 3.55Å; W698-F702 HydrophobicContact CE3-CE2 4.24Å; W698-F702 AromaticContact CE3-CG 3.99Å; W698-F702 HydrophobicContact CE3-CG 3.99Å; W698-F702 HydrophobicContact CG-CD2 4.27Å; W698-F702 HydrophobicContact CH2-CB 4.36Å; W698-F702 AromaticContact CH2-CD1 3.81Å; W698-F702 HydrophobicContact CH2-CD1 3.81Å; W698-F702 AromaticContact CH2-CD2 3.36Å; W698-F702 HydrophobicContact CH2-CD2 3.36Å; W698-F702 AromaticContact CH2-CE1 3.87Å; W698-F702 HydrophobicContact CH2-CE1 3.87Å; W698-F702 AromaticContact CH2-CE2 3.47Å; W698-F702 HydrophobicContact CH2-CE2 3.47Å; W698-F702 VanDerWaalsContact CH2-CE2 3.47Å; W698-F702 AromaticContact CH2-CG 3.55Å; W698-F702 HydrophobicContact CH2-CG 3.55Å; W698-F702 AromaticContact CH2-CZ 3.71Å; W698-F702 HydrophobicContact CH2-CZ 3.71Å; W698-F702 HydrophobicContact CZ2-CD1 4.34Å; W698-F702 AromaticContact CZ2-CD2 3.35Å; W698-F702 HydrophobicContact CZ2-CD2 3.35Å; W698-F702 HydrophobicContact CZ2-CE1 4.05Å; W698-F702 AromaticContact CZ2-CE2 3.02Å; W698-F702 HydrophobicContact CZ2-CE2 3.02Å; W698-F702 HydrophobicContact CZ2-CG 4.02Å; W698-F702 AromaticContact CZ2-CZ 3.4Å; W698-F702 HydrophobicContact CZ2-CZ 3.4Å; W698-F702 VanDerWaalsContact CZ2-CZ 3.4Å; W698-F702 HydrophobicContact CZ3-CB 3.86Å; W698-F702 HydrophobicContact CZ3-CD1 4.16Å; W698-F702 AromaticContact CZ3-CD2 3.45Å; W698-F702 HydrophobicContact CZ3-CD2 3.45Å; W698-F702 VanDerWaalsContact CZ3-CD2 3.45Å; W698-F702 HydrophobicContact CZ3-CE2 4.05Å; W698-F702 AromaticContact CZ3-CG 3.52Å; W698-F702 HydrophobicContact CZ3-CG 3.52Å; W698-F702 AromaticContact NE1-CE2 3.61Å; W698-F702 PolarHBondContact O-N 3.25Å; W698-I704 HydrophobicContact CE3-CD1 3.91Å; W698-I704 HydrophobicContact CZ3-CD1 3.87Å
699	I	45	Very low	41	Very low	28 Å²	28	80.9 Å²	80.9	14%	0.144	43%	0.433	C	S	.	.	H	α-helix	trans	-55.5	-43.5	171.1	-76.6	167.9	0	0	0	110.9	L695 L696 N703 I704	L695-I699 HydrophobicContact CD2-CD1 4.46Å; L695-I699 HydrophobicContact CG-CD1 4.03Å; L695-I699 WeakPolarHBondContact O-CB 3.11Å; L695-I699 WeakPolarHBondContact O-CD1 3.4Å; L695-I699 WeakPolarHBondContact O-CG1 3.07Å; L695-I699 PolarHBondContact O-N 3.3Å; L696-I699 WeakPolarHBondContact O-CB 3.39Å; L696-I699 PolarHBondContact O-N 3.1Å; I699-N703 PolarHBondContact O-N 3.14Å; I699-I704 HydrophobicContact CB-CB 3.88Å; I699-I704 HydrophobicContact CB-CD1 4.45Å; I699-I704 HydrophobicContact CB-CG1 4.42Å; I699-I704 HydrophobicContact CB-CG2 4.4Å; I699-I704 HydrophobicContact CG1-CB 3.96Å; I699-I704 HydrophobicContact CG1-CD1 3.91Å; I699-I704 HydrophobicContact CG1-CG1 4.35Å; I699-I704 HydrophobicContact CG1-CG2 4.03Å; I699-I704 HydrophobicContact CG2-CB 3.68Å; I699-I704 HydrophobicContact CG2-CG2 4.04Å; I699-I704 WeakPolarHBondContact CG2-O 3.14Å; I699-I704 WeakPolarHBondContact O-CA 3.34Å; I699-I704 WeakPolarHBondContact O-CB 3.26Å; I699-I704 PolarHBondContact O-N 3.05Å
700	K	43.5	Very low	40.8	Very low	109 Å²	109	82.3 Å²	82.3	47%	0.474	45%	0.449	S	S	.	.	H	α-helix	trans	-66.7	-43.4	178.1	-71.3	166.3	-162.1	159.5	0	113.4	L696 D697 W698 N703	L696-K700 VanDerWaalsContact O-CG 3.26Å; L696-K700 WeakPolarHBondContact O-CG 3.18Å; L696-K700 PolarHBondContact O-N 2.85Å; D697-K700 PolarHBondContact O-N 2.82Å; D697-K700 IonicContact OD1-NZ 2.91Å; D697-K700 PolarHBondContact OD1-NZ 3Å; W698-K700 VanDerWaalsContact C-N 3.29Å; W698-K700 PolarHBondContact O-N 2.55Å; K700-N703 PolarHBondContact O-N 2.93Å
701	Q	43.8	Very low	40.6	Very low	61 Å²	61	84.2 Å²	84.2	29%	0.285	45%	0.453	S	S	.	.	H	α-helix	trans	-72.9	-35.8	-177.1	-173.2	-177.1	27.7	0	0	112.8	Y689 W693 D697 W698 N703	Y689-Q701 VanDerWaalsContact CE1-NE2 3.35Å; Y689-Q701 PolarHBondContact OH-NE2 3.2Å; Y689-Q701 VanDerWaalsContact OH-NE2 3.15Å; W693-Q701 HydrophobicContact CH2-CB 3.83Å; W693-Q701 VanDerWaalsContact CH2-CD 3.47Å; W693-Q701 HydrophobicContact CH2-CG 4.09Å; W693-Q701 HydrophobicContact CZ3-CB 3.49Å; W693-Q701 VanDerWaalsContact CZ3-CB 3.49Å; W693-Q701 HydrophobicContact CZ3-CG 4.11Å; D697-Q701 PolarHBondContact O-N 2.82Å; W698-Q701 PolarHBondContact O-N 3.3Å; Q701-N703 PolarHBondContact O-N 3.21Å
702	F	45.6	Very low	40.5	Very low	42 Å²	42	85.8 Å²	85.8	18%	0.184	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	11.4	174.7	-80.3	-89.2	0	0	0	113.5	W698 I704 H721	W698-F702 AromaticContact CD2-CD2 3.51Å; W698-F702 HydrophobicContact CD2-CD2 3.51Å; W698-F702 AromaticContact CD2-CE2 3.85Å; W698-F702 HydrophobicContact CD2-CE2 3.85Å; W698-F702 HydrophobicContact CD2-CG 4.39Å; W698-F702 AromaticContact CE2-CD2 3.38Å; W698-F702 AromaticContact CE2-CE2 3.19Å; W698-F702 HydrophobicContact CE3-CB 4.18Å; W698-F702 AromaticContact CE3-CD2 3.55Å; W698-F702 HydrophobicContact CE3-CD2 3.55Å; W698-F702 HydrophobicContact CE3-CE2 4.24Å; W698-F702 AromaticContact CE3-CG 3.99Å; W698-F702 HydrophobicContact CE3-CG 3.99Å; W698-F702 HydrophobicContact CG-CD2 4.27Å; W698-F702 HydrophobicContact CH2-CB 4.36Å; W698-F702 AromaticContact CH2-CD1 3.81Å; W698-F702 HydrophobicContact CH2-CD1 3.81Å; W698-F702 AromaticContact CH2-CD2 3.36Å; W698-F702 HydrophobicContact CH2-CD2 3.36Å; W698-F702 AromaticContact CH2-CE1 3.87Å; W698-F702 HydrophobicContact CH2-CE1 3.87Å; W698-F702 AromaticContact CH2-CE2 3.47Å; W698-F702 HydrophobicContact CH2-CE2 3.47Å; W698-F702 VanDerWaalsContact CH2-CE2 3.47Å; W698-F702 AromaticContact CH2-CG 3.55Å; W698-F702 HydrophobicContact CH2-CG 3.55Å; W698-F702 AromaticContact CH2-CZ 3.71Å; W698-F702 HydrophobicContact CH2-CZ 3.71Å; W698-F702 HydrophobicContact CZ2-CD1 4.34Å; W698-F702 AromaticContact CZ2-CD2 3.35Å; W698-F702 HydrophobicContact CZ2-CD2 3.35Å; W698-F702 HydrophobicContact CZ2-CE1 4.05Å; W698-F702 AromaticContact CZ2-CE2 3.02Å; W698-F702 HydrophobicContact CZ2-CE2 3.02Å; W698-F702 HydrophobicContact CZ2-CG 4.02Å; W698-F702 AromaticContact CZ2-CZ 3.4Å; W698-F702 HydrophobicContact CZ2-CZ 3.4Å; W698-F702 VanDerWaalsContact CZ2-CZ 3.4Å; W698-F702 HydrophobicContact CZ3-CB 3.86Å; W698-F702 HydrophobicContact CZ3-CD1 4.16Å; W698-F702 AromaticContact CZ3-CD2 3.45Å; W698-F702 HydrophobicContact CZ3-CD2 3.45Å; W698-F702 VanDerWaalsContact CZ3-CD2 3.45Å; W698-F702 HydrophobicContact CZ3-CE2 4.05Å; W698-F702 AromaticContact CZ3-CG 3.52Å; W698-F702 HydrophobicContact CZ3-CG 3.52Å; W698-F702 AromaticContact NE1-CE2 3.61Å; W698-F702 PolarHBondContact O-N 3.25Å; F702-I704 HydrophobicContact CB-CD1 4.31Å; F702-I704 HydrophobicContact CB-CG1 3.86Å; F702-I704 PolarHBondContact O-N 3.29Å; F702-I704 VanDerWaalsContact O-N 3.11Å; F702-H721 AromaticContact CE1-CD2 3.34Å; F702-H721 WeakPolarHBondContact CE1-CD2 3.43Å; F702-H721 AromaticContact CE1-CE1 3.63Å; F702-H721 AromaticContact CE1-CG 3.74Å; F702-H721 AromaticContact CE1-ND1 3.89Å; F702-H721 AromaticContact CE1-NE2 3.27Å; F702-H721 VanDerWaalsContact CE1-NE2 3.27Å; F702-H721 WeakPolarHBondContact CE1-NE2 3.43Å; F702-H721 AromaticContact CZ-CD2 3.82Å; F702-H721 AromaticContact CZ-NE2 3.43Å; F702-H721 WeakPolarHBondContact CZ-NE2 3.27Å
703	N	46.7	Very low	40.5	Very low	71 Å²	71	86.6 Å²	86.6	38%	0.38	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	41.4	-173.5	-78.5	-29.4	0	0	0	112.1	I699 K700 Q701 F705 I714	I699-N703 PolarHBondContact O-N 3.14Å; K700-N703 PolarHBondContact O-N 2.93Å; Q701-N703 PolarHBondContact O-N 3.21Å; N703-F705 PolarHBondContact O-N 3.44Å; N703-I714 WeakPolarHBondContact ND2-CG2 3.11Å; N703-I714 WeakPolarHBondContact OD1-CG2 2.95Å
704	I	45.8	Very low	40.6	Very low	6 Å²	6	86 Å²	86	3%	0.031	46%	0.455	C	S	.	.			trans	-70.2	86.3	167.8	-49.7	-166.8	0	0	0	106.3	L614 Q662 I664 W698 I699 F702 N706	L614-I704 HydrophobicContact CD2-CG2 3.34Å; Q662-I704 VanDerWaalsContact OE1-CG1 3.27Å; I664-I704 HydrophobicContact CD1-CD1 4.37Å; W698-I704 HydrophobicContact CE3-CD1 3.91Å; W698-I704 HydrophobicContact CZ3-CD1 3.87Å; I699-I704 HydrophobicContact CB-CB 3.88Å; I699-I704 HydrophobicContact CB-CD1 4.45Å; I699-I704 HydrophobicContact CB-CG1 4.42Å; I699-I704 HydrophobicContact CB-CG2 4.4Å; I699-I704 HydrophobicContact CG1-CB 3.96Å; I699-I704 HydrophobicContact CG1-CD1 3.91Å; I699-I704 HydrophobicContact CG1-CG1 4.35Å; I699-I704 HydrophobicContact CG1-CG2 4.03Å; I699-I704 HydrophobicContact CG2-CB 3.68Å; I699-I704 HydrophobicContact CG2-CG2 4.04Å; I699-I704 WeakPolarHBondContact CG2-O 3.14Å; I699-I704 WeakPolarHBondContact O-CA 3.34Å; I699-I704 WeakPolarHBondContact O-CB 3.26Å; I699-I704 PolarHBondContact O-N 3.05Å; F702-I704 HydrophobicContact CB-CD1 4.31Å; F702-I704 HydrophobicContact CB-CG1 3.86Å; F702-I704 PolarHBondContact O-N 3.29Å; F702-I704 VanDerWaalsContact O-N 3.11Å; I704-N706 PolarHBondContact O-N 3.38Å; I704-N706 VanDerWaalsContact O-N 3.12Å
705	F	49.1	Very low	40.2	Very low	64 Å²	64	90.8 Å²	90.8	28%	0.281	47%	0.469	S	S	.	.			trans	20.8	79.3	157.8	-55.1	-62.5	0	0	0	116.4	L614 N618 L620 N703 S707 I724	L614-F705 HydrophobicContact CD1-CD2 4.19Å; N618-F705 WeakPolarHBondContact ND2-CB 3.31Å; N618-F705 WeakPolarHBondContact ND2-CD1 3.41Å; N618-F705 VanDerWaalsContact ND2-CG 3.29Å; N618-F705 WeakPolarHBondContact ND2-CG 3.19Å; L620-F705 HydrophobicContact CB-CE1 4.2Å; L620-F705 HydrophobicContact CB-CZ 4.41Å; L620-F705 HydrophobicContact CD2-CE1 3.51Å; L620-F705 HydrophobicContact CD2-CE2 3.97Å; L620-F705 HydrophobicContact CD2-CZ 3.05Å; L620-F705 HydrophobicContact CG-CE1 4.48Å; L620-F705 HydrophobicContact CG-CZ 4.33Å; N703-F705 PolarHBondContact O-N 3.44Å; F705-S707 PolarHBondContact O-N 3.43Å; F705-I724 HydrophobicContact CE2-CD1 3.68Å; F705-I724 HydrophobicContact CZ-CD1 3.68Å
706	N	39.6	Very low	39.6	Very low	98 Å²	98	93.4 Å²	93.4	52%	0.524	48%	0.483	S	S	.	.			trans	-82.1	111.7	155.8	-110	-9.7	0	0	0	108.2	I704 N708	I704-N706 PolarHBondContact O-N 3.38Å; I704-N706 VanDerWaalsContact O-N 3.12Å; N706-N708 PolarHBondContact O-N 2.9Å
707	S	40.8	Very low	39.3	Very low	89 Å²	89	98 Å²	98	62%	0.622	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-9.1	179.5	-174	0	0	0	0	114.6	F705	F705-S707 PolarHBondContact O-N 3.43Å
708	N	38	Very low	38.7	Very low	142 Å²	142	102.6 Å²	102.6	76%	0.759	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	5.3	-164	-76.4	-7.7	0	0	0	116.7	N706	N706-N708 PolarHBondContact O-N 2.9Å
709	N	35.7	Very low	38.1	Very low	108 Å²	108	105.7 Å²	105.7	58%	0.578	55%	0.547	S	S	*	.			trans	-103.5	92.7	176.5	-82.8	-6.8	0	0	0	112.2	N711	N709-N711 PolarHBondContact O-N 3.32Å; N709-N711 VanDerWaalsContact O-N 3.09Å
710	N	35.9	Very low	37.8	Very low	161 Å²	161	109.8 Å²	109.8	86%	0.861	57%	0.569	S	S	*	*			trans	-69.8	15.6	163.6	-86	-13.9	0	0	0	113.8
711	N	31.6	Very low	38	Very low	123 Å²	123	109.3 Å²	109.3	66%	0.658	57%	0.568	S	S	*	*			trans	-96.1	107.9	179.4	-77.1	-10.1	0	0	0	110.2	N709 N713	N709-N711 PolarHBondContact O-N 3.32Å; N709-N711 VanDerWaalsContact O-N 3.09Å; N711-N713 PolarHBondContact O-N 3.24Å
712	N	34.9	Very low	38.7	Very low	141 Å²	141	110.8 Å²	110.8	75%	0.754	58%	0.575	S	S	*	*	S	Bend	trans	-59.7	21.2	179.8	-77.7	-19.6	0	0	0	116.5
713	N	31.2	Very low	39.6	Very low	151 Å²	151	111.1 Å²	111.1	81%	0.807	58%	0.582	S	S	*	*			trans	-111	25.1	-175.1	-76.3	0.9	0	0	0	114.6	N711 F715	N711-N713 PolarHBondContact O-N 3.24Å; N713-F715 PolarHBondContact O-N 2.8Å
714	I	36.5	Very low	40.9	Very low	80 Å²	80	108.4 Å²	108.4	41%	0.41	57%	0.567	S	S	.	*			trans	-71.4	-4.7	172.9	-67.7	172.6	0	0	0	112.4	N703 N716	N703-I714 WeakPolarHBondContact ND2-CG2 3.11Å; N703-I714 WeakPolarHBondContact OD1-CG2 2.95Å; I714-N716 PolarHBondContact O-N 2.95Å
715	F	33.9	Very low	42.3	Very low	160 Å²	160	109.2 Å²	109.2	70%	0.702	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	19.2	-166.5	-70.9	-73	0	0	0	118	N713	N713-F715 PolarHBondContact O-N 2.8Å
716	N	27.5	Very low	44	Very low	159 Å²	159	106.1 Å²	106.1	85%	0.85	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	25.8	179.7	-97.1	1.7	0	0	0	115	I714	I714-N716 PolarHBondContact O-N 2.95Å
717	Y	33.4	Very low	46.2	Very low	190 Å²	190	101.9 Å²	101.9	75%	0.745	54%	0.535	S	S	*	.	S	Bend	trans	-107.6	137.1	173.7	-79.2	-82.4	0	0	0	112.2	S719	Y717-S719 PolarHBondContact O-N 3.37Å
718	D	30	Very low	48.6	Very low	139 Å²	139	97.6 Å²	97.6	74%	0.743	51%	0.505	S	S	*	.			trans	-45.7	125.5	-167.1	-158.7	5.4	0	0	0	113.9	N720	D718-N720 VanDerWaalsContact C-N 3.29Å; D718-N720 PolarHBondContact O-N 3.16Å
719	S	32.7	Very low	51.1	Low	98 Å²	98	91.4 Å²	91.4	69%	0.685	47%	0.471	S	S	*	.	S	Bend	trans	-80.2	49.5	-159.4	53.8	0	0	0	0	114.5	Y717	Y717-S719 PolarHBondContact O-N 3.37Å
720	N	38.6	Very low	53.9	Low	114 Å²	114	86.2 Å²	86.2	61%	0.61	44%	0.444	S	S	*	.			trans	-119.8	5	-174.1	-80.1	-25.6	0	0	0	116.6	D718	D718-N720 VanDerWaalsContact C-N 3.29Å; D718-N720 PolarHBondContact O-N 3.16Å
721	H	47.3	Very low	56.7	Low	99 Å²	99	79.4 Å²	79.4	46%	0.458	41%	0.407	S	S	.	.			trans	-111.9	76.3	169.6	-73.2	-58.2	0	0	0	111.5	F702 S723	F702-H721 AromaticContact CE1-CD2 3.34Å; F702-H721 WeakPolarHBondContact CE1-CD2 3.43Å; F702-H721 AromaticContact CE1-CE1 3.63Å; F702-H721 AromaticContact CE1-CG 3.74Å; F702-H721 AromaticContact CE1-ND1 3.89Å; F702-H721 AromaticContact CE1-NE2 3.27Å; F702-H721 VanDerWaalsContact CE1-NE2 3.27Å; F702-H721 WeakPolarHBondContact CE1-NE2 3.43Å; F702-H721 AromaticContact CZ-CD2 3.82Å; F702-H721 AromaticContact CZ-NE2 3.43Å; F702-H721 WeakPolarHBondContact CZ-NE2 3.27Å; H721-S723 PolarHBondContact O-N 3.5Å
722	E	57.3	Low	59.8	Low	92 Å²	92	73.5 Å²	73.5	43%	0.43	38%	0.376	S	S	.	.			trans	-68.7	-12.8	-176	-67.3	-174.5	143.1	0	0	114.1	N77 N746 I747 T748	N77-E722 PolarHBondContact ND2-OE2 2.97Å; N77-E722 VanDerWaalsContact ND2-OE2 3.15Å; E722-N746 VanDerWaalsContact O-CA 3.29Å; E722-N746 WeakPolarHBondContact O-CA 3.41Å; E722-N746 PolarHBondContact O-OD1 3.23Å; E722-I747 PolarHBondContact O-N 2.74Å; E722-I747 VanDerWaalsContact O-N 3.1Å; E722-T748 HydrophobicContact CG-CG2 4.25Å
723	S	65.6	Low	62.6	Low	48 Å²	48	70.6 Å²	70.6	34%	0.336	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	145.6	177.3	63.7	0	0	0	0	114.9	H721 K744 V745	H721-S723 PolarHBondContact O-N 3.5Å; S723-K744 WeakPolarHBondContact OG-CE 3.38Å; S723-V745 CarbonylContact C-O 3.48Å; S723-V745 WeakPolarHBondContact CA-O 3.36Å; S723-V745 VanDerWaalsContact CB-O 3.23Å; S723-V745 WeakPolarHBondContact CB-O 3.47Å
724	I	73.4	Confident	65.4	Low	14 Å²	14	65.1 Å²	65.1	7%	0.072	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	156.1	168.8	57.8	170.3	0	0	0	111.1	L620 F705 L726 K744 V745 I747	L620-I724 HydrophobicContact CD2-CD1 4.11Å; F705-I724 HydrophobicContact CE2-CD1 3.68Å; F705-I724 HydrophobicContact CZ-CD1 3.68Å; I724-L726 HydrophobicContact CD1-CD1 4.34Å; I724-L726 HydrophobicContact CD1-CD2 4.23Å; I724-L726 HydrophobicContact CD1-CG 4.23Å; I724-K744 CarbonylContact O-C 3.44Å; I724-K744 WeakPolarHBondContact O-CA 3.35Å; I724-V745 HydrophobicContact CD1-CB 4.28Å; I724-V745 HydrophobicContact CD1-CG2 4.45Å; I724-V745 HydrophobicContact CG1-CB 3.72Å; I724-V745 HydrophobicContact CG1-CG2 4.16Å; I724-V745 PolarHBondContact N-O 3.15Å; I724-V745 PolarHBondContact O-N 3.09Å; I724-I747 HydrophobicContact CB-CD1 4.47Å; I724-I747 HydrophobicContact CG1-CD1 4.26Å; I724-I747 HydrophobicContact CG1-CG1 4.49Å; I724-I747 HydrophobicContact CG2-CD1 3.63Å
725	L	76.4	Confident	67.9	Low	23 Å²	23	67.2 Å²	67.2	12%	0.12	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.8	174.8	-167.4	72.4	0	0	0	108.9	L609 W611 Q662 A663 T742 K744 M758	L609-L725 HydrophobicContact CD1-CD2 3.7Å; W611-L725 HydrophobicContact CH2-CD2 3.81Å; W611-L725 HydrophobicContact CH2-CG 4.19Å; W611-L725 HydrophobicContact CZ2-CD2 4.46Å; Q662-L725 WeakPolarHBondContact CA-O 3.14Å; A663-L725 HydrophobicContact CB-CB 3.74Å; A663-L725 HydrophobicContact CB-CD2 3.78Å; A663-L725 HydrophobicContact CB-CG 4.12Å; A663-L725 PolarHBondContact N-O 3.17Å; L725-T742 HydrophobicContact CD1-CG2 3.41Å; L725-T742 VanDerWaalsContact CD1-CG2 3.41Å; L725-T742 HydrophobicContact CD2-CG2 3.86Å; L725-T742 HydrophobicContact CG-CG2 3.61Å; L725-K744 HydrophobicContact CD1-CB 4.16Å; L725-M758 HydrophobicContact CD1-SD 3.38Å; L725-M758 WeakPolarHBondContact CD1-SD 3.48Å
726	L	84.3	Confident	70.7	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.4	178	-62.9	179	0	0	0	110	L614 E661 Q662 I724 I728 T742 V743 V745	L614-L726 HydrophobicContact CD1-CD2 3.87Å; E661-L726 CarbonylContact O-C 3.56Å; E661-L726 VanDerWaalsContact O-CA 3.29Å; E661-L726 WeakPolarHBondContact O-CA 3.04Å; Q662-L726 HydrophobicContact CB-CD2 3.99Å; Q662-L726 HydrophobicContact CG-CD2 4.35Å; I724-L726 HydrophobicContact CD1-CD1 4.34Å; I724-L726 HydrophobicContact CD1-CD2 4.23Å; I724-L726 HydrophobicContact CD1-CG 4.23Å; L726-I728 HydrophobicContact CB-CD1 4.43Å; L726-I728 HydrophobicContact CB-CG1 4.2Å; L726-T742 CarbonylContact O-C 3.5Å; L726-T742 VanDerWaalsContact O-CA 3.3Å; L726-T742 WeakPolarHBondContact O-CA 3.35Å; L726-V743 PolarHBondContact N-O 3.14Å; L726-V743 PolarHBondContact O-N 3.44Å; L726-V745 HydrophobicContact CD1-CG2 4.06Å; L726-V745 HydrophobicContact CG-CG2 4.43Å
727	R	85.6	Confident	73.8	Confident	8 Å²	8	58.1 Å²	58.1	3%	0.03	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.3	165.5	177.4	166.7	73.6	163.4	-3.4	107.6	M64 W611 V660 E661 E740 A741	M64-R727 PolarHBondContact O-NH1 3.34Å; W611-R727 HydrophobicContact CD2-CB 4.38Å; W611-R727 HydrophobicContact CE3-CB 3.61Å; W611-R727 HydrophobicContact CH2-CB 3.73Å; W611-R727 HydrophobicContact CZ2-CB 4.47Å; W611-R727 HydrophobicContact CZ3-CB 3.25Å; W611-R727 HydrophobicContact CZ3-CG 4.48Å; V660-R727 WeakPolarHBondContact CA-O 3.05Å; E661-R727 HydrophobicContact CB-CB 4.45Å; E661-R727 PolarHBondContact N-O 3.43Å; E661-R727 PolarHBondContact O-N 2.89Å; E661-R727 IonicContact OE1-NH2 3.62Å; E661-R727 IonicContact OE2-CZ 3.74Å; E661-R727 IonicContact OE2-NE 3.4Å; E661-R727 PolarHBondContact OE2-NE 2.9Å; E661-R727 IonicContact OE2-NH2 3.42Å; E661-R727 PolarHBondContact OE2-NH2 2.93Å; R727-E740 VanDerWaalsContact CD-CD 3.49Å; R727-E740 WeakPolarHBondContact CD-OE1 3.44Å; R727-E740 HydrophobicContact CG-CG 3.74Å; R727-E740 IonicContact NH1-OE1 2.71Å; R727-A741 WeakPolarHBondContact CA-O 3.45Å
728	I	90.1	Very high	76.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.6	-175.3	-52	-177.1	0	0	0	107.8	C624 I628 I657 V660 L726 I730 E740 A741	C624-I728 HydrophobicContact CB-CD1 3.45Å; C624-I728 VanDerWaalsContact CB-CD1 3.45Å; I628-I728 HydrophobicContact CD1-CB 3.95Å; I628-I728 HydrophobicContact CD1-CD1 3.96Å; I628-I728 HydrophobicContact CD1-CG1 4.35Å; I628-I728 HydrophobicContact CD1-CG2 4.39Å; I657-I728 HydrophobicContact CG2-CG2 3.99Å; V660-I728 HydrophobicContact CG1-CG1 4.37Å; V660-I728 HydrophobicContact CG2-CG2 4.35Å; L726-I728 HydrophobicContact CB-CD1 4.43Å; L726-I728 HydrophobicContact CB-CG1 4.2Å; I728-I730 HydrophobicContact CG2-CG2 3.62Å; I728-E740 WeakPolarHBondContact O-CA 3.49Å; I728-A741 PolarHBondContact N-O 3.22Å; I728-A741 PolarHBondContact O-N 2.81Å
729	H	92.1	Very high	79.5	Confident	11 Å²	11	44 Å²	44	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.5	169.1	178.3	-166.1	0	0	0	108.1	H61 E658 S659 H738 F739	H61-H729 AromaticContact CE1-CE1 3.57Å; H61-H729 AromaticContact NE2-CE1 3.76Å; E658-H729 HydrophobicContact CB-CB 4.26Å; E658-H729 WeakPolarHBondContact CG-ND1 3.46Å; E658-H729 PolarHBondContact N-O 3.48Å; S659-H729 PolarHBondContact N-O 3.1Å; S659-H729 PolarHBondContact O-N 3.28Å; S659-H729 WeakPolarHBondContact OG-CB 3.08Å; H729-H738 AromaticContact CE1-ND1 3.42Å; H729-H738 PolarHBondContact CE1-ND1 2.87Å; H729-H738 AromaticContact NE2-CG 3.65Å; H729-H738 AromaticContact NE2-ND1 3.01Å; H729-H738 PolarHBondContact NE2-ND1 3.08Å; H729-F739 CarbonylContact C-O 3.52Å; H729-F739 WeakPolarHBondContact CA-O 3.39Å; H729-F739 PolarHBondContact CD2-O 2.83Å
730	I	94	Very high	82.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.8	177.3	63.3	176.9	0	0	0	111.1	T625 I628 I629 L654 I657 I728 V732 F739	T625-I730 HydrophobicContact CG2-CG2 3.9Å; I628-I730 HydrophobicContact CG2-CD1 3.78Å; I629-I730 HydrophobicContact CG1-CD1 4.17Å; L654-I730 HydrophobicContact CD1-CB 4.01Å; L654-I730 HydrophobicContact CD1-CG2 4.09Å; I657-I730 HydrophobicContact CG1-CG2 4.43Å; I728-I730 HydrophobicContact CG2-CG2 3.62Å; I730-V732 HydrophobicContact CB-CG1 4.43Å; I730-V732 HydrophobicContact CD1-CG1 3.68Å; I730-V732 HydrophobicContact CG1-CG1 3.86Å; I730-F739 HydrophobicContact CD1-CB 4.42Å; I730-F739 HydrophobicContact CG1-CB 3.9Å; I730-F739 PolarHBondContact N-O 3.46Å; I730-F739 PolarHBondContact O-N 2.87Å
731	I	94.9	Very high	84.7	Confident	17 Å²	17	36.2 Å²	36.2	9%	0.087	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.9	165.9	-57.8	176.8	0	0	0	106.7	H655 Q656 E658 Y736 A737	H655-I731 WeakPolarHBondContact CA-O 3.19Å; H655-I731 HydrophobicContact CB-CG2 4.21Å; H655-I731 VanDerWaalsContact CB-O 3.3Å; H655-I731 WeakPolarHBondContact CB-O 3.37Å; H655-I731 PolarHBondContact N-O 3.43Å; Q656-I731 PolarHBondContact N-O 2.97Å; Q656-I731 VanDerWaalsContact N-O 3.1Å; Q656-I731 PolarHBondContact O-N 2.86Å; E658-I731 HydrophobicContact CB-CD1 4.45Å; E658-I731 HydrophobicContact CB-CG1 4.41Å; I731-Y736 HydrophobicContact CG2-CD1 4.14Å; I731-A737 CarbonylContact C-O 3.47Å; I731-A737 WeakPolarHBondContact CA-O 3.35Å
732	V	95.3	Very high	86.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	157.6	-175	-50.6	0	0	0	0	111.8	I652 K653 I730 Y736 A737 F739 I786	I652-V732 HydrophobicContact CB-CB 4.27Å; I652-V732 HydrophobicContact CB-CG2 4.03Å; I652-V732 HydrophobicContact CD1-CB 4.29Å; I652-V732 HydrophobicContact CD1-CG1 4.03Å; I652-V732 HydrophobicContact CD1-CG2 4.15Å; I652-V732 HydrophobicContact CG2-CG2 4.04Å; K653-V732 CarbonylContact O-C 3.58Å; K653-V732 VanDerWaalsContact O-CA 3.23Å; K653-V732 WeakPolarHBondContact O-CA 3.02Å; K653-V732 VanDerWaalsContact O-CB 3.28Å; K653-V732 WeakPolarHBondContact O-CB 3.36Å; I730-V732 HydrophobicContact CB-CG1 4.43Å; I730-V732 HydrophobicContact CD1-CG1 3.68Å; I730-V732 HydrophobicContact CG1-CG1 3.86Å; V732-Y736 CarbonylContact O-C 3.5Å; V732-Y736 WeakPolarHBondContact O-CA 3.37Å; V732-Y736 PolarHBondContact O-N 2.95Å; V732-Y736 VanDerWaalsContact O-N 3.16Å; V732-A737 HydrophobicContact CG2-CB 3.55Å; V732-A737 PolarHBondContact N-O 2.85Å; V732-A737 PolarHBondContact O-N 3.46Å; V732-F739 HydrophobicContact CG1-CD2 4.16Å; V732-F739 HydrophobicContact CG2-CD2 3.67Å; V732-F739 HydrophobicContact CG2-CE2 3.5Å; V732-F739 VanDerWaalsContact CG2-CE2 3.5Å; V732-I786 HydrophobicContact CG2-CD1 4.41Å
733	Q	93.9	Very high	87.8	Confident	79 Å²	79	28.2 Å²	28.2	37%	0.369	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	149.1	168.2	-79.8	177.7	-13.9	0	0	110.8	I652 K653 H655	I652-Q733 CarbonylContact C-O 3.5Å; I652-Q733 WeakPolarHBondContact CA-O 3.44Å; K653-Q733 PolarHBondContact N-O 3.12Å; K653-Q733 PolarHBondContact O-N 3.41Å; H655-Q733 HydrophobicContact CB-CG 4.22Å
734	P	90.4	Very high	88.5	Confident	37 Å²	37	28.3 Å²	28.3	24%	0.24	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	cis	-77.4	173.5	-1.1	28.7	-29.9	0	0	0	113.7	S650 Y736 I786 T788	S650-P734 WeakPolarHBondContact OG-CD 3.28Å; S650-P734 WeakPolarHBondContact OG-CG 3.21Å; P734-Y736 VanDerWaalsContact C-N 3.32Å; P734-Y736 PolarHBondContact O-N 2.82Å; P734-I786 HydrophobicContact CG-CB 4.25Å; P734-I786 HydrophobicContact CG-CG2 3.82Å; P734-I786 WeakPolarHBondContact O-CD1 3.23Å; P734-T788 HydrophobicContact CG-CG2 4.38Å
735	E	89.4	Confident	88.7	Confident	124 Å²	124	27.8 Å²	27.8	58%	0.579	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	13.4	173.5	-57.5	-60.7	154.1	0	0	117.9	A737 I786	E735-A737 PolarHBondContact O-N 3.17Å; E735-A737 VanDerWaalsContact O-N 3.13Å; E735-I786 HydrophobicContact CB-CG2 4.12Å; E735-I786 HydrophobicContact CG-CG2 3.75Å
736	Y	92.4	Very high	88.5	Confident	128 Å²	128	29.4 Å²	29.4	50%	0.502	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	40.4	178	-59.2	-82.9	0	0	0	112.9	H655 I731 V732 P734 H738	H655-Y736 AromaticContact CD2-CD1 3.56Å; H655-Y736 AromaticContact CD2-CE1 3.61Å; H655-Y736 AromaticContact CE1-CE1 3.56Å; H655-Y736 AromaticContact CG-CD1 3.87Å; H655-Y736 AromaticContact CG-CE1 3.77Å; H655-Y736 AromaticContact ND1-CE1 3.73Å; H655-Y736 AromaticContact NE2-CD1 3.84Å; H655-Y736 AromaticContact NE2-CE1 3.44Å; H655-Y736 WeakPolarHBondContact NE2-CE1 3.41Å; I731-Y736 HydrophobicContact CG2-CD1 4.14Å; V732-Y736 CarbonylContact O-C 3.5Å; V732-Y736 WeakPolarHBondContact O-CA 3.37Å; V732-Y736 PolarHBondContact O-N 2.95Å; V732-Y736 VanDerWaalsContact O-N 3.16Å; P734-Y736 VanDerWaalsContact C-N 3.32Å; P734-Y736 PolarHBondContact O-N 2.82Å; Y736-H738 PolarHBondContact O-CD2 3.23Å; Y736-H738 PolarHBondContact O-NE2 3.15Å
737	A	92.1	Very high	87.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	138	-179.3	0	0	0	0	0	112.9	I731 V732 E735 F739 R762 I786	I731-A737 CarbonylContact C-O 3.47Å; I731-A737 WeakPolarHBondContact CA-O 3.35Å; V732-A737 HydrophobicContact CG2-CB 3.55Å; V732-A737 PolarHBondContact N-O 2.85Å; V732-A737 PolarHBondContact O-N 3.46Å; E735-A737 PolarHBondContact O-N 3.17Å; E735-A737 VanDerWaalsContact O-N 3.13Å; A737-F739 HydrophobicContact CB-CD2 4.37Å; A737-F739 HydrophobicContact CB-CE2 3.85Å; A737-R762 VanDerWaalsContact CA-NH2 3.33Å; A737-I786 HydrophobicContact CB-CD1 3.45Å; A737-I786 VanDerWaalsContact CB-CD1 3.45Å
738	H	92.6	Very high	86.1	Confident	32 Å²	32	36.7 Å²	36.7	15%	0.148	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121	-178.8	-67.6	-120.5	0	0	0	111.2	H61 H729 Y736 R762 I763 D764	H61-H738 AromaticContact CE1-ND1 3.66Å; H61-H738 AromaticContact NE2-CE1 3.73Å; H61-H738 AromaticContact NE2-ND1 3.58Å; H729-H738 AromaticContact CE1-ND1 3.42Å; H729-H738 PolarHBondContact CE1-ND1 2.87Å; H729-H738 AromaticContact NE2-CG 3.65Å; H729-H738 AromaticContact NE2-ND1 3.01Å; H729-H738 PolarHBondContact NE2-ND1 3.08Å; Y736-H738 PolarHBondContact O-CD2 3.23Å; Y736-H738 PolarHBondContact O-NE2 3.15Å; H738-R762 WeakPolarHBondContact O-CD 3.41Å; H738-I763 HydrophobicContact CB-CD1 4.01Å; H738-I763 HydrophobicContact CB-CG1 3.49Å; H738-I763 VanDerWaalsContact CB-CG1 3.49Å; H738-I763 PolarHBondContact O-N 2.84Å; H738-I763 VanDerWaalsContact O-N 3.12Å; H738-D764 WeakPolarHBondContact CA-OD1 3.33Å; H738-D764 HydrophobicContact CB-CB 4.28Å; H738-D764 PolarHBondContact N-OD1 3.47Å
739	F	91.7	Very high	84.1	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	137	174	-68.3	-83.8	0	0	0	110.5	I632 H729 I730 V732 A737 I760 S761 R762 Y784	I632-F739 HydrophobicContact CD1-CB 4.42Å; I632-F739 HydrophobicContact CD1-CD1 4.18Å; I632-F739 HydrophobicContact CD1-CD2 4.39Å; I632-F739 HydrophobicContact CD1-CG 4.09Å; H729-F739 CarbonylContact C-O 3.52Å; H729-F739 WeakPolarHBondContact CA-O 3.39Å; H729-F739 PolarHBondContact CD2-O 2.83Å; I730-F739 HydrophobicContact CD1-CB 4.42Å; I730-F739 HydrophobicContact CG1-CB 3.9Å; I730-F739 PolarHBondContact N-O 3.46Å; I730-F739 PolarHBondContact O-N 2.87Å; V732-F739 HydrophobicContact CG1-CD2 4.16Å; V732-F739 HydrophobicContact CG2-CD2 3.67Å; V732-F739 HydrophobicContact CG2-CE2 3.5Å; V732-F739 VanDerWaalsContact CG2-CE2 3.5Å; A737-F739 HydrophobicContact CB-CD2 4.37Å; A737-F739 HydrophobicContact CB-CE2 3.85Å; F739-I760 HydrophobicContact CD1-CG2 4.25Å; F739-S761 WeakPolarHBondContact CA-O 3.36Å; F739-R762 HydrophobicContact CD1-CB 4.37Å; F739-R762 HydrophobicContact CE1-CB 4.19Å; F739-R762 HydrophobicContact CE1-CG 4.36Å; F739-R762 VanDerWaalsContact CE2-NH1 3.32Å; F739-Y784 HydrophobicContact CD1-CD1 4.32Å; F739-Y784 AromaticContact CE1-CD1 3.66Å; F739-Y784 HydrophobicContact CE1-CD1 3.66Å; F739-Y784 HydrophobicContact CE1-CE1 4.33Å; F739-Y784 HydrophobicContact CZ-CD1 4.47Å
740	E	90.5	Very high	81.9	Confident	48 Å²	48	51.8 Å²	51.8	22%	0.224	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.1	167.3	-174.7	178.8	98.9	0	0	108.3	R727 I728 I760 S761 I763	R727-E740 VanDerWaalsContact CD-CD 3.49Å; R727-E740 WeakPolarHBondContact CD-OE1 3.44Å; R727-E740 HydrophobicContact CG-CG 3.74Å; R727-E740 IonicContact NH1-OE1 2.71Å; I728-E740 WeakPolarHBondContact O-CA 3.49Å; E740-I760 CarbonylContact O-C 3.49Å; E740-I760 WeakPolarHBondContact O-CA 3.3Å; E740-S761 PolarHBondContact N-O 2.91Å; E740-S761 PolarHBondContact O-N 3.26Å; E740-I763 HydrophobicContact CB-CD1 4.45Å; E740-I763 HydrophobicContact CB-CG2 3.74Å
741	A	89	Confident	79.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.4	177.7	0	0	0	0	0	111.3	I628 R727 I728 D759 I760	I628-A741 HydrophobicContact CB-CB 4.39Å; I628-A741 HydrophobicContact CD1-CB 3.65Å; I628-A741 HydrophobicContact CG1-CB 3.7Å; I628-A741 HydrophobicContact CG2-CB 3.71Å; R727-A741 WeakPolarHBondContact CA-O 3.45Å; I728-A741 PolarHBondContact N-O 3.22Å; I728-A741 PolarHBondContact O-N 2.81Å; A741-D759 CarbonylContact C-O 3.41Å; A741-D759 VanDerWaalsContact CA-O 3.28Å; A741-D759 WeakPolarHBondContact CA-O 3.37Å; A741-I760 HydrophobicContact CB-CG1 4.18Å; A741-I760 HydrophobicContact CB-CG2 4.36Å
742	T	84.9	Confident	77.6	Confident	23 Å²	23	60 Å²	60	14%	0.141	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.4	173.1	-62	0	0	0	0	109.5	W611 L725 L726 M758 D759	W611-T742 HydrophobicContact CH2-CG2 4.36Å; L725-T742 HydrophobicContact CD1-CG2 3.41Å; L725-T742 VanDerWaalsContact CD1-CG2 3.41Å; L725-T742 HydrophobicContact CD2-CG2 3.86Å; L725-T742 HydrophobicContact CG-CG2 3.61Å; L726-T742 CarbonylContact O-C 3.5Å; L726-T742 VanDerWaalsContact O-CA 3.3Å; L726-T742 WeakPolarHBondContact O-CA 3.35Å; T742-M758 HydrophobicContact CG2-CB 4.32Å; T742-M758 PolarHBondContact O-N 3.15Å; T742-D759 PolarHBondContact N-O 3.45Å; T742-D759 PolarHBondContact O-N 3.17Å
743	V	85.3	Confident	75.6	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.5	-176.9	-172.1	0	0	0	0	109.9	C624 I628 L726 V745 F755 V757	C624-V743 HydrophobicContact CB-CG1 4.37Å; I628-V743 HydrophobicContact CD1-CG2 3.57Å; I628-V743 HydrophobicContact CG1-CG2 3.57Å; L726-V743 PolarHBondContact N-O 3.14Å; L726-V743 PolarHBondContact O-N 3.44Å; V743-V745 HydrophobicContact CG1-CG2 4.29Å; V743-F755 HydrophobicContact CG1-CB 4.16Å; V743-F755 HydrophobicContact CG1-CD1 4.37Å; V743-V757 HydrophobicContact CG2-CG2 4.36Å
744	K	80.4	Confident	74.4	Confident	50 Å²	50	64.8 Å²	64.8	22%	0.217	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.9	168.3	-177.3	-176.1	-177.2	-175	0	109	S723 I724 L725 H756 M758	S723-K744 WeakPolarHBondContact OG-CE 3.38Å; I724-K744 CarbonylContact O-C 3.44Å; I724-K744 WeakPolarHBondContact O-CA 3.35Å; L725-K744 HydrophobicContact CD1-CB 4.16Å; K744-H756 HydrophobicContact CB-CB 4.35Å; K744-H756 PolarHBondContact N-O 2.9Å; K744-H756 PolarHBondContact O-N 2.83Å; K744-M758 HydrophobicContact CB-CG 4.16Å; K744-M758 HydrophobicContact CB-SD 3.96Å
745	V	77.5	Confident	73.8	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.8	178.7	-168.1	0	0	0	0	109.4	L620 C624 S723 I724 L726 V743 F755	L620-V745 HydrophobicContact CD1-CG1 4.05Å; L620-V745 HydrophobicContact CD2-CG1 4.11Å; L620-V745 HydrophobicContact CG-CG1 4.42Å; C624-V745 VanDerWaalsContact SG-CG2 3.6Å; S723-V745 CarbonylContact C-O 3.48Å; S723-V745 WeakPolarHBondContact CA-O 3.36Å; S723-V745 VanDerWaalsContact CB-O 3.23Å; S723-V745 WeakPolarHBondContact CB-O 3.47Å; I724-V745 HydrophobicContact CD1-CB 4.28Å; I724-V745 HydrophobicContact CD1-CG2 4.45Å; I724-V745 HydrophobicContact CG1-CB 3.72Å; I724-V745 HydrophobicContact CG1-CG2 4.16Å; I724-V745 PolarHBondContact N-O 3.15Å; I724-V745 PolarHBondContact O-N 3.09Å; L726-V745 HydrophobicContact CD1-CG2 4.06Å; L726-V745 HydrophobicContact CG-CG2 4.43Å; V743-V745 HydrophobicContact CG1-CG2 4.29Å; V745-F755 HydrophobicContact CB-CD1 4.32Å; V745-F755 HydrophobicContact CB-CE1 4.36Å; V745-F755 HydrophobicContact CG1-CD1 3.82Å; V745-F755 HydrophobicContact CG1-CE1 3.49Å; V745-F755 VanDerWaalsContact CG1-CE1 3.49Å; V745-F755 HydrophobicContact CG1-CZ 4.31Å; V745-F755 HydrophobicContact CG2-CD1 3.85Å; V745-F755 HydrophobicContact CG2-CE1 4.04Å
746	N	72	Confident	73.4	Confident	57 Å²	57	64 Å²	64	31%	0.305	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.1	173.8	-177.3	-10	0	0	0	110.2	E722 T748 H754	E722-N746 VanDerWaalsContact O-CA 3.29Å; E722-N746 WeakPolarHBondContact O-CA 3.41Å; E722-N746 PolarHBondContact O-OD1 3.23Å; N746-T748 PolarHBondContact OD1-N 2.99Å; N746-T748 PolarHBondContact OD1-OG1 3.12Å; N746-T748 VanDerWaalsContact OD1-OG1 3.1Å; N746-H754 HydrophobicContact CB-CB 4.47Å; N746-H754 PolarHBondContact N-O 2.86Å; N746-H754 VanDerWaalsContact N-O 3.14Å
747	I	62.4	Low	73	Confident	79 Å²	79	58.9 Å²	58.9	41%	0.405	30%	0.301	S	S	.	.			trans	-89.1	-23.8	-169.3	-63.9	175.7	0	0	0	112.6	E722 I724 Q749	E722-I747 PolarHBondContact O-N 2.74Å; E722-I747 VanDerWaalsContact O-N 3.1Å; I724-I747 HydrophobicContact CB-CD1 4.47Å; I724-I747 HydrophobicContact CG1-CD1 4.26Å; I724-I747 HydrophobicContact CG1-CG1 4.49Å; I724-I747 HydrophobicContact CG2-CD1 3.63Å; I747-Q749 VanDerWaalsContact C-N 3.33Å; I747-Q749 PolarHBondContact O-N 3.11Å
748	T	56.8	Low	72.2	Confident	82 Å²	82	62.1 Å²	62.1	50%	0.503	32%	0.317	S	S	.	.	S	Bend	trans	-76	-10.4	-164.8	54	0	0	0	0	115.5	E722 N746	E722-T748 HydrophobicContact CG-CG2 4.25Å; N746-T748 PolarHBondContact OD1-N 2.99Å; N746-T748 PolarHBondContact OD1-OG1 3.12Å; N746-T748 VanDerWaalsContact OD1-OG1 3.1Å
749	Q	48.7	Very low	71.6	Confident	132 Å²	132	64.7 Å²	64.7	62%	0.617	33%	0.332	S	S	*	.	S	Bend	trans	-143.9	132.2	-173.2	-73.8	175.9	9	0	0	112.4	I747 S751 H754	I747-Q749 VanDerWaalsContact C-N 3.33Å; I747-Q749 PolarHBondContact O-N 3.11Å; Q749-S751 VanDerWaalsContact C-N 3.35Å; Q749-S751 PolarHBondContact O-N 3.36Å; Q749-H754 WeakPolarHBondContact CB-NE2 3.35Å; Q749-H754 PolarHBondContact O-CD2 2.84Å; Q749-H754 VanDerWaalsContact O-CD2 3.25Å; Q749-H754 PolarHBondContact O-CE1 2.82Å; Q749-H754 PolarHBondContact O-ND1 3.43Å; Q749-H754 PolarHBondContact O-NE2 3.41Å; Q749-H754 VanDerWaalsContact O-NE2 3.11Å
750	H	45.7	Very low	71.2	Confident	196 Å²	196	65.1 Å²	65.1	91%	0.907	33%	0.334	S	S	*	.			trans	-78.5	30.9	-166	-75.5	-81	0	0	0	117
751	S	47.3	Very low	70.9	Confident	63 Å²	63	65 Å²	65	44%	0.441	34%	0.338	S	S	.	.	S	Bend	trans	-112.4	165.9	-176	101.3	0	0	0	0	115.1	Q749 N753 H754	Q749-S751 VanDerWaalsContact C-N 3.35Å; Q749-S751 PolarHBondContact O-N 3.36Å; S751-N753 PolarHBondContact O-N 3.33Å; S751-N753 PolarHBondContact OG-N 2.95Å; S751-H754 VanDerWaalsContact C-ND1 3.26Å; S751-H754 PolarHBondContact N-CE1 3.4Å; S751-H754 PolarHBondContact N-ND1 2.92Å; S751-H754 PolarHBondContact O-ND1 3.34Å; S751-H754 PolarHBondContact OG-CE1 3.28Å; S751-H754 PolarHBondContact OG-ND1 2.99Å
752	L	50.9	Low	70.7	Confident	128 Å²	128	66 Å²	66	67%	0.67	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-71.5	-12.1	178.8	-76.8	160.5	0	0	0	114.2	H754	L752-H754 PolarHBondContact O-N 2.91Å; L752-H754 VanDerWaalsContact O-N 3.11Å
753	N	53.7	Low	70.6	Confident	155 Å²	155	67.8 Å²	67.8	83%	0.829	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-78.2	15.8	179.6	-71.5	-11.9	0	0	0	114.2	S751	S751-N753 PolarHBondContact O-N 3.33Å; S751-N753 PolarHBondContact OG-N 2.95Å
754	H	69.6	Low	70.5	Confident	23 Å²	23	68.9 Å²	68.9	11%	0.106	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-102.2	-4.1	-168.4	-70.1	76.2	0	0	0	115.4	N746 Q749 S751 L752	N746-H754 HydrophobicContact CB-CB 4.47Å; N746-H754 PolarHBondContact N-O 2.86Å; N746-H754 VanDerWaalsContact N-O 3.14Å; Q749-H754 WeakPolarHBondContact CB-NE2 3.35Å; Q749-H754 PolarHBondContact O-CD2 2.84Å; Q749-H754 VanDerWaalsContact O-CD2 3.25Å; Q749-H754 PolarHBondContact O-CE1 2.82Å; Q749-H754 PolarHBondContact O-ND1 3.43Å; Q749-H754 PolarHBondContact O-NE2 3.41Å; Q749-H754 VanDerWaalsContact O-NE2 3.11Å; S751-H754 VanDerWaalsContact C-ND1 3.26Å; S751-H754 PolarHBondContact N-CE1 3.4Å; S751-H754 PolarHBondContact N-ND1 2.92Å; S751-H754 PolarHBondContact O-ND1 3.34Å; S751-H754 PolarHBondContact OG-CE1 3.28Å; S751-H754 PolarHBondContact OG-ND1 2.99Å; L752-H754 PolarHBondContact O-N 2.91Å; L752-H754 VanDerWaalsContact O-N 3.11Å
755	F	77.9	Confident	70.6	Confident	27 Å²	27	71.1 Å²	71.1	12%	0.118	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	110	-176.4	-56.6	-81.5	0	0	0	109.9	L620 K623 C624 V627 V743 V745	L620-F755 HydrophobicContact CD1-CE1 3.63Å; L620-F755 HydrophobicContact CD1-CZ 3.59Å; L620-F755 HydrophobicContact CG-CE1 4.08Å; L620-F755 HydrophobicContact CG-CZ 4.43Å; K623-F755 HydrophobicContact CB-CE1 4.3Å; K623-F755 HydrophobicContact CB-CE2 3.99Å; K623-F755 HydrophobicContact CB-CZ 3.69Å; K623-F755 HydrophobicContact CD-CE2 4.47Å; K623-F755 HydrophobicContact CD-CZ 4.25Å; C624-F755 HydrophobicContact CB-CD1 4.41Å; C624-F755 WeakPolarHBondContact SG-CD1 3.32Å; C624-F755 WeakPolarHBondContact SG-CE1 3.5Å; V627-F755 HydrophobicContact CB-CB 4.14Å; V627-F755 HydrophobicContact CG1-CB 3.93Å; V627-F755 HydrophobicContact CG2-CB 3.85Å; V627-F755 HydrophobicContact CG2-CD2 4.02Å; V627-F755 HydrophobicContact CG2-CG 4.09Å; V743-F755 HydrophobicContact CG1-CB 4.16Å; V743-F755 HydrophobicContact CG1-CD1 4.37Å; V745-F755 HydrophobicContact CB-CD1 4.32Å; V745-F755 HydrophobicContact CB-CE1 4.36Å; V745-F755 HydrophobicContact CG1-CD1 3.82Å; V745-F755 HydrophobicContact CG1-CE1 3.49Å; V745-F755 VanDerWaalsContact CG1-CE1 3.49Å; V745-F755 HydrophobicContact CG1-CZ 4.31Å; V745-F755 HydrophobicContact CG2-CD1 3.85Å; V745-F755 HydrophobicContact CG2-CE1 4.04Å
756	H	80.3	Confident	70.9	Confident	119 Å²	119	74 Å²	74	55%	0.551	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	107.5	174.4	-176.4	-77.3	0	0	0	110	K744 M758	K744-H756 HydrophobicContact CB-CB 4.35Å; K744-H756 PolarHBondContact N-O 2.9Å; K744-H756 PolarHBondContact O-N 2.83Å; H756-M758 PolarHBondContact O-N 2.91Å; H756-M758 VanDerWaalsContact O-N 3.13Å
757	V	83.7	Confident	71.4	Confident	19 Å²	19	76.7 Å²	76.7	12%	0.115	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	109.1	171.1	-173.2	0	0	0	0	108.1	V627 I628 K631 V743 I760	V627-V757 HydrophobicContact CG1-CG2 3.75Å; I628-V757 HydrophobicContact CG1-CG2 4.25Å; K631-V757 HydrophobicContact CB-CG2 4.3Å; K631-V757 HydrophobicContact CG-CB 4.39Å; V743-V757 HydrophobicContact CG2-CG2 4.36Å; V757-I760 HydrophobicContact CG1-CD1 3.74Å; V757-I760 HydrophobicContact CG1-CG1 3.43Å; V757-I760 VanDerWaalsContact CG1-CG1 3.43Å
758	M	75.8	Confident	72.5	Confident	69 Å²	69	78.3 Å²	78.3	34%	0.34	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-41	-177.1	-70.7	-171.6	53.5	0	0	112.2	Y71 L725 T742 K744 H756	Y71-M758 HydrophobicContact CD2-CE 4.13Å; Y71-M758 HydrophobicContact CG-CE 4.39Å; L725-M758 HydrophobicContact CD1-SD 3.38Å; L725-M758 WeakPolarHBondContact CD1-SD 3.48Å; T742-M758 HydrophobicContact CG2-CB 4.32Å; T742-M758 PolarHBondContact O-N 3.15Å; K744-M758 HydrophobicContact CB-CG 4.16Å; K744-M758 HydrophobicContact CB-SD 3.96Å; H756-M758 PolarHBondContact O-N 2.91Å; H756-M758 VanDerWaalsContact O-N 3.13Å
759	D	79	Confident	73.9	Confident	85 Å²	85	75.4 Å²	75.4	46%	0.455	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	151.7	-178.3	-167.2	19.1	0	0	0	110.2	A741 T742	A741-D759 CarbonylContact C-O 3.41Å; A741-D759 VanDerWaalsContact CA-O 3.28Å; A741-D759 WeakPolarHBondContact CA-O 3.37Å; T742-D759 PolarHBondContact N-O 3.45Å; T742-D759 PolarHBondContact O-N 3.17Å
760	I	84.8	Confident	75.7	Confident	10 Å²	10	69.7 Å²	69.7	5%	0.051	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	126.5	174.2	-48	175.9	0	0	0	107.3	K631 I632 F739 E740 A741 V757 Y784	K631-I760 HydrophobicContact CB-CD1 4.22Å; K631-I760 HydrophobicContact CG-CD1 3.88Å; I632-I760 HydrophobicContact CD1-CG2 3.97Å; I632-I760 HydrophobicContact CG1-CD1 3.74Å; I632-I760 HydrophobicContact CG1-CG2 4.09Å; F739-I760 HydrophobicContact CD1-CG2 4.25Å; E740-I760 CarbonylContact O-C 3.49Å; E740-I760 WeakPolarHBondContact O-CA 3.3Å; A741-I760 HydrophobicContact CB-CG1 4.18Å; A741-I760 HydrophobicContact CB-CG2 4.36Å; V757-I760 HydrophobicContact CG1-CD1 3.74Å; V757-I760 HydrophobicContact CG1-CG1 3.43Å; V757-I760 VanDerWaalsContact CG1-CG1 3.43Å; I760-Y784 HydrophobicContact CB-CE1 3.91Å; I760-Y784 HydrophobicContact CG2-CD1 4.44Å; I760-Y784 HydrophobicContact CG2-CE1 3.65Å; I760-Y784 PolarHBondContact O-OH 3.31Å
761	S	83.8	Confident	77.5	Confident	44 Å²	44	65.4 Å²	65.4	31%	0.308	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.8	178.4	-72.8	0	0	0	0	110.5	F739 E740	F739-S761 WeakPolarHBondContact CA-O 3.36Å; E740-S761 PolarHBondContact N-O 2.91Å; E740-S761 PolarHBondContact O-N 3.26Å
762	R	84.8	Confident	79.2	Confident	22 Å²	22	62.4 Å²	62.4	8%	0.083	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.2	165.9	-172.5	71.4	-174	-138.6	0.5	108.3	A737 H738 F739 D764 Y766 H769 Q783	A737-R762 VanDerWaalsContact CA-NH2 3.33Å; H738-R762 WeakPolarHBondContact O-CD 3.41Å; F739-R762 HydrophobicContact CD1-CB 4.37Å; F739-R762 HydrophobicContact CE1-CB 4.19Å; F739-R762 HydrophobicContact CE1-CG 4.36Å; F739-R762 VanDerWaalsContact CE2-NH1 3.32Å; R762-D764 WeakPolarHBondContact CD-OD1 3.23Å; R762-D764 IonicContact CZ-OD1 2.65Å; R762-D764 IonicContact CZ-OD2 3.46Å; R762-D764 IonicContact NE-OD1 3.03Å; R762-D764 PolarHBondContact NE-OD1 3.48Å; R762-D764 IonicContact NE-OD2 3.36Å; R762-D764 PolarHBondContact NE-OD2 3.26Å; R762-D764 IonicContact NH2-OD1 3.95Å; R762-D764 PolarHBondContact NH2-OD1 2.92Å; R762-D764 IonicContact NH2-OD2 3.35Å; R762-D764 PolarHBondContact NH2-OD2 3.42Å; R762-Y766 HydrophobicContact CB-CD1 4.12Å; R762-Y766 HydrophobicContact CG-CD1 3.65Å; R762-Y766 HydrophobicContact CG-CG 3.97Å; R762-H769 PolarHBondContact NH2-ND1 3.48Å; R762-Q783 HydrophobicContact CB-CB 4.01Å; R762-Q783 WeakPolarHBondContact CB-O 3.49Å; R762-Q783 WeakPolarHBondContact CD-O 3.29Å; R762-Q783 WeakPolarHBondContact CG-O 3.33Å
763	I	81.3	Confident	80.7	Confident	61 Å²	61	56.9 Å²	56.9	31%	0.313	28%	0.281	S	S	.	.			trans	-108.3	-6.1	-172	66	172.9	0	0	0	114.1	H738 E740	H738-I763 HydrophobicContact CB-CD1 4.01Å; H738-I763 HydrophobicContact CB-CG1 3.49Å; H738-I763 VanDerWaalsContact CB-CG1 3.49Å; H738-I763 PolarHBondContact O-N 2.84Å; H738-I763 VanDerWaalsContact O-N 3.12Å; E740-I763 HydrophobicContact CB-CD1 4.45Å; E740-I763 HydrophobicContact CB-CG2 3.74Å
764	D	83.6	Confident	81.7	Confident	23 Å²	23	50.4 Å²	50.4	12%	0.123	25%	0.248	C	C	.	.	S	Bend	trans	-106.6	162.5	167.9	62.8	-54.7	0	0	0	111.9	H738 R762 Y766	H738-D764 WeakPolarHBondContact CA-OD1 3.33Å; H738-D764 HydrophobicContact CB-CB 4.28Å; H738-D764 PolarHBondContact N-OD1 3.47Å; R762-D764 WeakPolarHBondContact CD-OD1 3.23Å; R762-D764 IonicContact CZ-OD1 2.65Å; R762-D764 IonicContact CZ-OD2 3.46Å; R762-D764 IonicContact NE-OD1 3.03Å; R762-D764 PolarHBondContact NE-OD1 3.48Å; R762-D764 IonicContact NE-OD2 3.36Å; R762-D764 PolarHBondContact NE-OD2 3.26Å; R762-D764 IonicContact NH2-OD1 3.95Å; R762-D764 PolarHBondContact NH2-OD1 2.92Å; R762-D764 IonicContact NH2-OD2 3.35Å; R762-D764 PolarHBondContact NH2-OD2 3.42Å; D764-Y766 PolarHBondContact O-N 3.05Å
765	V	83.3	Confident	81.6	Confident	96 Å²	96	54.5 Å²	54.5	58%	0.582	27%	0.271	S	S	*	.			trans	-61.9	123.8	175.7	-179.1	0	0	0	0	109.6	E767	V765-E767 VanDerWaalsContact CG1-OE2 3.26Å; V765-E767 WeakPolarHBondContact CG1-OE2 3.07Å
766	Y	84.5	Confident	81.1	Confident	64 Å²	64	60.8 Å²	60.8	25%	0.251	31%	0.306	S	S	.	.			trans	-123.5	-8.9	-167.9	64.8	-96.3	0	0	0	114.2	R762 D764 Q768 H769 N770 K782 Q783	R762-Y766 HydrophobicContact CB-CD1 4.12Å; R762-Y766 HydrophobicContact CG-CD1 3.65Å; R762-Y766 HydrophobicContact CG-CG 3.97Å; D764-Y766 PolarHBondContact O-N 3.05Å; Y766-Q768 PolarHBondContact O-N 3.44Å; Y766-H769 WeakPolarHBondContact O-CB 3.02Å; Y766-H769 PolarHBondContact O-N 2.89Å; Y766-N770 WeakPolarHBondContact CD2-ND2 3.37Å; Y766-N770 PolarHBondContact O-N 3.34Å; Y766-K782 WeakPolarHBondContact CD2-O 3.32Å; Y766-K782 HydrophobicContact CE2-CB 4.29Å; Y766-Q783 HydrophobicContact CD1-CB 4.46Å; Y766-Q783 HydrophobicContact CD2-CB 4.33Å; Y766-Q783 HydrophobicContact CE1-CB 4.14Å; Y766-Q783 HydrophobicContact CE2-CB 4Å
767	E	82.6	Confident	80.4	Confident	114 Å²	114	61.6 Å²	61.6	53%	0.533	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32	-179.1	-66.4	85.4	169.4	0	0	112.1	V765 H769 N770	V765-E767 VanDerWaalsContact CG1-OE2 3.26Å; V765-E767 WeakPolarHBondContact CG1-OE2 3.07Å; E767-H769 VanDerWaalsContact C-N 3.27Å; E767-H769 PolarHBondContact O-N 3.4Å; E767-N770 PolarHBondContact O-OD1 3.32Å
768	Q	84.2	Confident	79.7	Confident	113 Å²	113	62.3 Å²	62.3	53%	0.528	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.1	175	59.5	173.6	24.6	0	0	113.5	Y766	Y766-Q768 PolarHBondContact O-N 3.44Å
769	H	87	Confident	79.3	Confident	21 Å²	21	62.7 Å²	62.7	10%	0.097	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-15.3	-175	-58	146	0	0	0	113.1	R762 Y766 E767 I786 C787	R762-H769 PolarHBondContact NH2-ND1 3.48Å; Y766-H769 WeakPolarHBondContact O-CB 3.02Å; Y766-H769 PolarHBondContact O-N 2.89Å; E767-H769 VanDerWaalsContact C-N 3.27Å; E767-H769 PolarHBondContact O-N 3.4Å; H769-I786 HydrophobicContact CB-CG2 4.39Å; H769-C787 VanDerWaalsContact O-CB 3.24Å; H769-C787 WeakPolarHBondContact O-CB 3.07Å; H769-C787 PolarHBondContact O-N 3.11Å; H769-C787 PolarHBondContact O-SG 3.19Å
770	N	85.2	Confident	78.8	Confident	11 Å²	11	65 Å²	65	6%	0.059	33%	0.333	C	S	.	.			trans	-107.1	19.1	-170.7	65.7	23.3	0	0	0	115.1	Y766 E767 C772 L773 K782 C785 C787	Y766-N770 WeakPolarHBondContact CD2-ND2 3.37Å; Y766-N770 PolarHBondContact O-N 3.34Å; E767-N770 PolarHBondContact O-OD1 3.32Å; N770-C772 PolarHBondContact O-N 2.99Å; N770-L773 HydrophobicContact CB-CD1 4.47Å; N770-L773 PolarHBondContact O-N 3.14Å; N770-K782 WeakPolarHBondContact CB-O 3.29Å; N770-K782 WeakPolarHBondContact ND2-CB 3.36Å; N770-K782 PolarHBondContact ND2-O 2.98Å; N770-C785 HydrophobicContact CB-CB 4.27Å; N770-C787 VanDerWaalsContact CA-SG 3.52Å
771	W	83.7	Confident	78.5	Confident	107 Å²	107	64.6 Å²	64.6	41%	0.405	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-21.6	-175.4	55.6	-99.5	0	0	0	116.7	L773 C787 K789	W771-L773 VanDerWaalsContact C-N 3.31Å; W771-C787 HydrophobicContact CD2-CB 3.69Å; W771-C787 HydrophobicContact CE3-CB 4.32Å; W771-C787 HydrophobicContact CG-CB 4.06Å; W771-C787 HydrophobicContact CH2-CB 4.17Å; W771-C787 HydrophobicContact CZ2-CB 3.53Å; W771-K789 HydrophobicContact CH2-CB 4.49Å; W771-K789 HydrophobicContact CH2-CG 3.77Å; W771-K789 HydrophobicContact CZ2-CG 4.11Å
772	C	84.5	Confident	78.4	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.5	179	65	0	0	0	0	113.4	T644 K645 N770 C787	T644-C772 WeakPolarHBondContact CA-O 3.31Å; T644-C772 WeakPolarHBondContact CB-O 3.3Å; T644-C772 HydrophobicContact CG2-CB 4.45Å; T644-C772 WeakPolarHBondContact CG2-O 3.36Å; K645-C772 PolarHBondContact N-O 3.13Å; K645-C772 VanDerWaalsContact N-O 3.13Å; N770-C772 PolarHBondContact O-N 2.99Å; C772-C787 VanDerWaalsContact CA-SG 3.53Å; C772-C787 HydrophobicContact CB-CB 3.65Å; C772-C787 WeakPolarHBondContact CB-SG 3.44Å; C772-C787 PolarHBondContact N-SG 2.86Å; C772-C787 WeakPolarHBondContact SG-CB 3.23Å; C772-C787 CovalentContact SG-SG 2.03Å; C772-C787 PolarHBondContact SG-SG 3.24Å
773	L	81.4	Confident	78.4	Confident	11 Å²	11	65.5 Å²	65.5	6%	0.058	33%	0.33	C	S	.	.	S	Bend	trans	-89.9	145.9	176.7	-62.4	178	0	0	0	111.4	T644 N770 W771 W778 T781 K782 C785	T644-L773 HydrophobicContact CG2-CD2 4.17Å; N770-L773 HydrophobicContact CB-CD1 4.47Å; N770-L773 PolarHBondContact O-N 3.14Å; W771-L773 VanDerWaalsContact C-N 3.31Å; L773-W778 HydrophobicContact CB-CB 4.38Å; L773-W778 HydrophobicContact CD1-CB 4.21Å; L773-W778 HydrophobicContact CD2-CB 4.43Å; L773-W778 HydrophobicContact CD2-CG 4.23Å; L773-T781 HydrophobicContact CD1-CG2 4.47Å; L773-K782 HydrophobicContact CD1-CG 4.04Å; L773-C785 HydrophobicContact CD1-CB 3.57Å; L773-C785 HydrophobicContact CG-CB 4.39Å
774	S	75.5	Confident	78.8	Confident	19 Å²	19	63.6 Å²	63.6	13%	0.133	32%	0.32	C	S	.	.			trans	-71.4	149.6	171.6	67.2	0	0	0	0	110.9	N776 E777 W778	S774-N776 VanDerWaalsContact C-N 3.29Å; S774-N776 PolarHBondContact O-N 3.11Å; S774-E777 WeakPolarHBondContact OG-CB 3.43Å; S774-E777 PolarHBondContact OG-OE2 2.89Å; S774-W778 VanDerWaalsContact OG-CD1 3.24Å; S774-W778 PolarHBondContact OG-NE1 3.15Å
775	D	67.9	Low	79.1	Confident	109 Å²	109	62.5 Å²	62.5	58%	0.583	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.3	-171.8	-82.8	-45.5	0	0	0	114.4	K782	D775-K782 PolarHBondContact O-NZ 3.45Å; D775-K782 IonicContact OD1-NZ 2.7Å; D775-K782 PolarHBondContact OD1-NZ 3.1Å
776	N	65.6	Low	79.4	Confident	160 Å²	160	58 Å²	58	86%	0.856	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-15.3	-166.1	-63.5	-14.7	0	0	0	114.1	S774	S774-N776 VanDerWaalsContact C-N 3.29Å; S774-N776 PolarHBondContact O-N 3.11Å
777	E	65.5	Low	79.6	Confident	135 Å²	135	55.6 Å²	55.6	63%	0.631	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-15.3	-169.9	-61.8	170.4	146.4	0	0	113.9	S774	S774-E777 WeakPolarHBondContact OG-CB 3.43Å; S774-E777 PolarHBondContact OG-OE2 2.89Å
778	W	70	Confident	79.7	Confident	34 Å²	34	52.4 Å²	52.4	13%	0.129	27%	0.267	C	S	.	.			trans	-134.2	34.9	-163.6	-50.1	106.5	0	0	0	115.3	Y639 N642 L773 S774 E780 T781 K782	Y639-W778 AromaticContact CD1-CE3 3.52Å; Y639-W778 HydrophobicContact CD1-CE3 3.52Å; Y639-W778 AromaticContact CD1-CZ3 3.37Å; Y639-W778 HydrophobicContact CD1-CZ3 3.37Å; Y639-W778 HydrophobicContact CE1-CE3 4.1Å; Y639-W778 AromaticContact CE1-CZ3 3.99Å; Y639-W778 HydrophobicContact CE1-CZ3 3.99Å; Y639-W778 HydrophobicContact CG-CE3 4.25Å; Y639-W778 HydrophobicContact CG-CZ3 4.34Å; N642-W778 HydrophobicContact CB-CH2 3.81Å; N642-W778 HydrophobicContact CB-CZ2 3.59Å; L773-W778 HydrophobicContact CB-CB 4.38Å; L773-W778 HydrophobicContact CD1-CB 4.21Å; L773-W778 HydrophobicContact CD2-CB 4.43Å; L773-W778 HydrophobicContact CD2-CG 4.23Å; S774-W778 VanDerWaalsContact OG-CD1 3.24Å; S774-W778 PolarHBondContact OG-NE1 3.15Å; W778-E780 VanDerWaalsContact C-N 3.25Å; W778-E780 PolarHBondContact O-N 3.1Å; W778-T781 PolarHBondContact O-N 3.28Å; W778-T781 VanDerWaalsContact O-N 3.12Å; W778-K782 WeakPolarHBondContact O-CG 3.41Å; W778-K782 PolarHBondContact O-N 2.78Å
779	A	68.1	Low	79.7	Confident	78 Å²	78	55 Å²	55	65%	0.645	28%	0.276	S	S	*	.	H	α-helix	trans	-52.3	-40.5	-176.7	0	0	0	0	0	113.7
780	E	68.4	Low	79.2	Confident	134 Å²	134	59.9 Å²	59.9	63%	0.626	30%	0.295	S	S	*	.	H	α-helix	trans	-70	-35.3	-178.9	-64.2	-179.8	169.1	0	0	113.2	Y639 W778 Q783 Y784	Y639-E780 PolarHBondContact OH-OE2 2.96Å; W778-E780 VanDerWaalsContact C-N 3.25Å; W778-E780 PolarHBondContact O-N 3.1Å; E780-Q783 PolarHBondContact O-NE2 3.23Å; E780-Y784 VanDerWaalsContact O-CD2 3.31Å; E780-Y784 WeakPolarHBondContact O-CD2 3.28Å; E780-Y784 VanDerWaalsContact O-CE2 3.26Å; E780-Y784 WeakPolarHBondContact O-CE2 3.24Å
781	T	77.4	Confident	78.2	Confident	1 Å²	1	69 Å²	69	1%	0.006	35%	0.352	C	S	.	.	H	α-helix	trans	-84.6	-26.9	-176.2	-41.9	0	0	0	0	112.2	Y639 L773 W778 Q783 Y784 C785	Y639-T781 HydrophobicContact CD2-CG2 3.72Å; Y639-T781 WeakPolarHBondContact CD2-OG1 3.4Å; Y639-T781 VanDerWaalsContact CE2-OG1 3.24Å; Y639-T781 WeakPolarHBondContact CE2-OG1 3.32Å; Y639-T781 HydrophobicContact CG-CG2 4.07Å; L773-T781 HydrophobicContact CD1-CG2 4.47Å; W778-T781 PolarHBondContact O-N 3.28Å; W778-T781 VanDerWaalsContact O-N 3.12Å; T781-Q783 PolarHBondContact O-N 2.65Å; T781-Q783 VanDerWaalsContact O-N 3.12Å; T781-Y784 PolarHBondContact O-N 2.66Å; T781-C785 PolarHBondContact O-N 3.2Å
782	K	82.8	Confident	77.9	Confident	32 Å²	32	67.2 Å²	67.2	14%	0.139	35%	0.349	C	S	.	.	H	α-helix	trans	-51.4	-37.1	-176.7	-91.8	-179.3	170	-169.7	0	113.7	Y766 N770 L773 D775 W778 Y784	Y766-K782 WeakPolarHBondContact CD2-O 3.32Å; Y766-K782 HydrophobicContact CE2-CB 4.29Å; N770-K782 WeakPolarHBondContact CB-O 3.29Å; N770-K782 WeakPolarHBondContact ND2-CB 3.36Å; N770-K782 PolarHBondContact ND2-O 2.98Å; L773-K782 HydrophobicContact CD1-CG 4.04Å; D775-K782 PolarHBondContact O-NZ 3.45Å; D775-K782 IonicContact OD1-NZ 2.7Å; D775-K782 PolarHBondContact OD1-NZ 3.1Å; W778-K782 WeakPolarHBondContact O-CG 3.41Å; W778-K782 PolarHBondContact O-N 2.78Å; K782-Y784 VanDerWaalsContact C-N 3.32Å; K782-Y784 PolarHBondContact O-N 3.21Å
783	Q	84.6	Confident	77.5	Confident	52 Å²	52	70.7 Å²	70.7	24%	0.243	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-22.8	179	68.7	-172	-36	0	0	114	R762 Y766 E780 T781	R762-Q783 HydrophobicContact CB-CB 4.01Å; R762-Q783 WeakPolarHBondContact CB-O 3.49Å; R762-Q783 WeakPolarHBondContact CD-O 3.29Å; R762-Q783 WeakPolarHBondContact CG-O 3.33Å; Y766-Q783 HydrophobicContact CD1-CB 4.46Å; Y766-Q783 HydrophobicContact CD2-CB 4.33Å; Y766-Q783 HydrophobicContact CE1-CB 4.14Å; Y766-Q783 HydrophobicContact CE2-CB 4Å; E780-Q783 PolarHBondContact O-NE2 3.23Å; T781-Q783 PolarHBondContact O-N 2.65Å; T781-Q783 VanDerWaalsContact O-N 3.12Å
784	Y	89.6	Confident	77.3	Confident	22 Å²	22	74 Å²	74	9%	0.086	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-25.5	-177.8	-56.5	-69.6	0	0	0	112.9	I632 I635 F739 I760 E780 T781 K782 I786	I632-Y784 HydrophobicContact CG1-CD1 4.37Å; I632-Y784 HydrophobicContact CG2-CD1 4.16Å; I632-Y784 HydrophobicContact CG2-CG 4.5Å; I635-Y784 HydrophobicContact CD1-CE2 4.23Å; I635-Y784 HydrophobicContact CG2-CD2 3.8Å; I635-Y784 HydrophobicContact CG2-CE2 4.22Å; I635-Y784 HydrophobicContact CG2-CG 4.42Å; F739-Y784 HydrophobicContact CD1-CD1 4.32Å; F739-Y784 AromaticContact CE1-CD1 3.66Å; F739-Y784 HydrophobicContact CE1-CD1 3.66Å; F739-Y784 HydrophobicContact CE1-CE1 4.33Å; F739-Y784 HydrophobicContact CZ-CD1 4.47Å; I760-Y784 HydrophobicContact CB-CE1 3.91Å; I760-Y784 HydrophobicContact CG2-CD1 4.44Å; I760-Y784 HydrophobicContact CG2-CE1 3.65Å; I760-Y784 PolarHBondContact O-OH 3.31Å; E780-Y784 VanDerWaalsContact O-CD2 3.31Å; E780-Y784 WeakPolarHBondContact O-CD2 3.28Å; E780-Y784 VanDerWaalsContact O-CE2 3.26Å; E780-Y784 WeakPolarHBondContact O-CE2 3.24Å; T781-Y784 PolarHBondContact O-N 2.66Å; K782-Y784 VanDerWaalsContact C-N 3.32Å; K782-Y784 PolarHBondContact O-N 3.21Å; Y784-I786 PolarHBondContact O-N 3.42Å
785	C	88.6	Confident	77.4	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	40%	0.399	C	S	.	.			trans	-74.8	125.6	-173.4	-177.2	0	0	0	0	112.1	C649 N770 L773 T781 C787	C649-C785 VanDerWaalsContact CA-SG 3.51Å; C649-C785 HydrophobicContact CB-CB 3.97Å; C649-C785 WeakPolarHBondContact CB-SG 2.96Å; C649-C785 WeakPolarHBondContact SG-CB 3.48Å; C649-C785 CovalentContact SG-SG 2.03Å; C649-C785 PolarHBondContact SG-SG 3.44Å; N770-C785 HydrophobicContact CB-CB 4.27Å; L773-C785 HydrophobicContact CD1-CB 3.57Å; L773-C785 HydrophobicContact CG-CB 4.39Å; T781-C785 PolarHBondContact O-N 3.2Å; C785-C787 PolarHBondContact SG-SG 3.43Å
786	I	90	Very high	78	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.01	39%	0.388	C	S	.	.			trans	-112.4	109.9	165.5	-49	177.2	0	0	0	106.5	C649 S650 I652 V732 P734 E735 A737 H769 Y784	C649-I786 WeakPolarHBondContact CA-O 3.15Å; S650-I786 PolarHBondContact N-O 3.38Å; S650-I786 PolarHBondContact OG-O 3.09Å; I652-I786 HydrophobicContact CG2-CD1 4.09Å; V732-I786 HydrophobicContact CG2-CD1 4.41Å; P734-I786 HydrophobicContact CG-CB 4.25Å; P734-I786 HydrophobicContact CG-CG2 3.82Å; P734-I786 WeakPolarHBondContact O-CD1 3.23Å; E735-I786 HydrophobicContact CB-CG2 4.12Å; E735-I786 HydrophobicContact CG-CG2 3.75Å; A737-I786 HydrophobicContact CB-CD1 3.45Å; A737-I786 VanDerWaalsContact CB-CD1 3.45Å; H769-I786 HydrophobicContact CB-CG2 4.39Å; Y784-I786 PolarHBondContact O-N 3.42Å
787	C	88.5	Confident	78.9	Confident	13 Å²	13	69.6 Å²	69.6	9%	0.088	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.3	-172.9	-70.3	0	0	0	0	110.8	Q648 H769 N770 W771 C772 C785	Q648-C787 WeakPolarHBondContact O-CA 3.36Å; H769-C787 VanDerWaalsContact O-CB 3.24Å; H769-C787 WeakPolarHBondContact O-CB 3.07Å; H769-C787 PolarHBondContact O-N 3.11Å; H769-C787 PolarHBondContact O-SG 3.19Å; N770-C787 VanDerWaalsContact CA-SG 3.52Å; W771-C787 HydrophobicContact CD2-CB 3.69Å; W771-C787 HydrophobicContact CE3-CB 4.32Å; W771-C787 HydrophobicContact CG-CB 4.06Å; W771-C787 HydrophobicContact CH2-CB 4.17Å; W771-C787 HydrophobicContact CZ2-CB 3.53Å; C772-C787 VanDerWaalsContact CA-SG 3.53Å; C772-C787 HydrophobicContact CB-CB 3.65Å; C772-C787 WeakPolarHBondContact CB-SG 3.44Å; C772-C787 PolarHBondContact N-SG 2.86Å; C772-C787 WeakPolarHBondContact SG-CB 3.23Å; C772-C787 CovalentContact SG-SG 2.03Å; C772-C787 PolarHBondContact SG-SG 3.24Å; C785-C787 PolarHBondContact SG-SG 3.43Å
788	T	86.1	Confident	79.8	Confident	47 Å²	47	64.9 Å²	64.9	29%	0.288	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143	170	49.3	0	0	0	0	108.2	G647 Q648 P734	G647-T788 CarbonylContact C-O 3.42Å; G647-T788 WeakPolarHBondContact CA-O 3.12Å; Q648-T788 PolarHBondContact N-O 3.25Å; Q648-T788 PolarHBondContact O-N 3.17Å; Q648-T788 PolarHBondContact O-OG1 3.05Å; Q648-T788 VanDerWaalsContact O-OG1 3.1Å; P734-T788 HydrophobicContact CG-CG2 4.38Å
789	K	83	Confident	80.6	Confident	166 Å²	166	67.3 Å²	67.3	72%	0.722	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	148.5	170.7	-69.6	-177.2	178.9	179.5	0	108.9	W771 T791	W771-K789 HydrophobicContact CH2-CB 4.49Å; W771-K789 HydrophobicContact CH2-CG 3.77Å; W771-K789 HydrophobicContact CZ2-CG 4.11Å; K789-T791 PolarHBondContact O-N 3.09Å
790	Y	77.1	Confident	81.6	Confident	125 Å²	125	66.4 Å²	66.4	49%	0.49	33%	0.329	S	S	.	.			trans	-55.9	127.9	167.3	-66	-62.9	0	0	0	108.3	T644 G647 Q648	T644-Y790 PolarHBondContact OG1-OH 3.24Å; G647-Y790 VanDerWaalsContact N-CE2 3.34Å; G647-Y790 VanDerWaalsContact O-CZ 3.29Å; G647-Y790 PolarHBondContact O-OH 2.79Å; Q648-Y790 HydrophobicContact CB-CE1 4.09Å; Q648-Y790 HydrophobicContact CG-CD1 4.49Å; Q648-Y790 HydrophobicContact CG-CE1 4.41Å
791	T	63.3	Low	82.8	Confident	203 Å²	203	60.3 Å²	60.3	100%	1.245	30%	0.302	S	S	*	.			trans	-73.2	0	171.4	50.1	0	0	0	0	110.2	K789	K789-T791 PolarHBondContact O-N 3.09Å

Retrieved 791 of 791 residues in 1185.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).