A0A077ZHR2_TRITR Loading...

Nitrilase and fragile histidine triad fusion protein NitFhit

Cleaves A-5'-PPP-5'A to yield AMP and ADP.

AlphaFold DB , UniProt , Accession A0A077ZHR2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 553 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	31.4	Very low	32.3	Very low	247 Å²	247	172.8 Å²	172.8	100%	1.217	88%	0.877	S	S	*	*				0	126.1	0	-107.3	172	-170.9	0	0	107.3
2	L	33	Very low	32.9	Very low	179 Å²	179	172 Å²	172	94%	0.937	86%	0.863	S	S	*	*			trans	74.3	79.1	-171.4	-60.2	167.7	0	0	0	117
3	Q	27.4	Very low	33	Very low	190 Å²	190	165.6 Å²	165.6	89%	0.888	85%	0.845	S	S	*	*			trans	-109.8	125.9	147.3	-94.5	-170	-15.6	0	0	108.1
4	P	37.5	Very low	33.1	Very low	103 Å²	103	162.9 Å²	162.9	67%	0.669	85%	0.848	S	S	*	*			trans	-76.2	125.3	172.9	-5.8	21.8	0	0	0	110.6	F6	P4-F6 HydrophobicContact CB-CD2 4.13Å; P4-F6 HydrophobicContact CB-CE2 4.11Å; P4-F6 PolarHBondContact O-N 3.31Å
5	R	30.1	Very low	33.4	Very low	248 Å²	248	157.3 Å²	157.3	94%	0.936	83%	0.828	S	S	*	*			trans	-66.8	86.2	170.2	-72.2	178.3	166.4	-178.9	-3.6	110.8	G7	R5-G7 PolarHBondContact O-N 3.29Å
6	F	32.3	Very low	33.5	Very low	205 Å²	205	160.4 Å²	160.4	90%	0.899	83%	0.833	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	84.6	164.2	-85	-85.1	0	0	0	109.9	P4	P4-F6 HydrophobicContact CB-CD2 4.13Å; P4-F6 HydrophobicContact CB-CE2 4.11Å; P4-F6 PolarHBondContact O-N 3.31Å
7	G	31.3	Very low	34	Very low	78 Å²	78	158.2 Å²	158.2	80%	0.804	83%	0.828	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.8	-0	176.3	0	0	0	0	0	116	R5	R5-G7 PolarHBondContact O-N 3.29Å
8	A	33.4	Very low	34.1	Very low	92 Å²	92	159.9 Å²	159.9	76%	0.76	83%	0.831	S	S	*	*			trans	-108.8	0.2	-166.4	0	0	0	0	0	116.3
9	A	34.3	Very low	34.5	Very low	94 Å²	94	154.6 Å²	154.6	78%	0.777	81%	0.809	S	S	*	*	S	Bend	trans	-95.4	5.3	-165.5	0	0	0	0	0	117.1
10	W	33	Very low	35.3	Very low	222 Å²	222	155.9 Å²	155.9	84%	0.841	82%	0.815	S	S	*	*			trans	-119.2	32.3	-176.7	-75.8	91.9	0	0	0	114.9	F12	W10-F12 HydrophobicContact CE3-CD2 4.09Å; W10-F12 AromaticContact CE3-CE2 3.63Å; W10-F12 HydrophobicContact CE3-CE2 3.63Å; W10-F12 HydrophobicContact CZ3-CD2 4.39Å; W10-F12 AromaticContact CZ3-CE2 3.57Å; W10-F12 HydrophobicContact CZ3-CE2 3.57Å; W10-F12 HydrophobicContact CZ3-CZ 4.46Å; W10-F12 PolarHBondContact O-N 3.02Å
11	R	31.6	Very low	36	Very low	243 Å²	243	155.1 Å²	155.1	92%	0.917	81%	0.812	S	S	*	*			trans	-89.7	92.5	161.5	-75.3	-172	-173.6	-170.7	2.1	109.1	S13	R11-S13 PolarHBondContact O-N 3.41Å
12	F	39.1	Very low	36.6	Very low	163 Å²	163	146.8 Å²	146.8	72%	0.715	79%	0.79	S	S	*	*			trans	-68	98.9	162.8	-87.4	-89.3	0	0	0	108.1	W10 S14	W10-F12 HydrophobicContact CE3-CD2 4.09Å; W10-F12 AromaticContact CE3-CE2 3.63Å; W10-F12 HydrophobicContact CE3-CE2 3.63Å; W10-F12 HydrophobicContact CZ3-CD2 4.39Å; W10-F12 AromaticContact CZ3-CE2 3.57Å; W10-F12 HydrophobicContact CZ3-CE2 3.57Å; W10-F12 HydrophobicContact CZ3-CZ 4.46Å; W10-F12 PolarHBondContact O-N 3.02Å; F12-S14 PolarHBondContact O-N 2.84Å
13	S	34.1	Very low	37.5	Very low	89 Å²	89	144.4 Å²	144.4	62%	0.622	78%	0.778	S	S	*	*			trans	-60.1	118.3	161.9	169.4	0	0	0	0	108.1	R11 S15	R11-S13 PolarHBondContact O-N 3.41Å; S13-S15 PolarHBondContact O-N 3.43Å; S13-S15 PolarHBondContact OG-OG 2.89Å
14	S	35.4	Very low	38.8	Very low	127 Å²	127	144.6 Å²	144.6	89%	0.888	78%	0.779	S	S	*	*			trans	-69.9	75.6	167.9	55.8	0	0	0	0	109.3	F12	F12-S14 PolarHBondContact O-N 2.84Å
15	S	37.6	Very low	40	Very low	79 Å²	79	143.7 Å²	143.7	55%	0.552	77%	0.771	S	S	*	*			trans	-122.2	111.6	172.9	52.3	0	0	0	0	109.2	S13 V17	S13-S15 PolarHBondContact O-N 3.43Å; S13-S15 PolarHBondContact OG-OG 2.89Å; S15-V17 PolarHBondContact O-N 2.9Å
16	K	34.5	Very low	41.9	Very low	207 Å²	207	135.6 Å²	135.6	90%	0.9	75%	0.746	S	S	*	*			trans	-8.1	111.9	167.3	-72.3	173.5	173	178.2	0	114.7
17	V	41.3	Very low	43.6	Very low	124 Å²	124	130.1 Å²	130.1	75%	0.752	72%	0.724	S	S	*	*			trans	-123.5	108.4	161.2	-179.1	0	0	0	0	107.6	S15	S15-V17 PolarHBondContact O-N 2.9Å
18	Q	36	Very low	45.5	Very low	188 Å²	188	130.3 Å²	130.3	88%	0.879	71%	0.713	S	S	*	*			trans	-61	131.4	176.2	-79	172.9	-31	0	0	110.4
19	S	42.4	Very low	47.6	Very low	59 Å²	59	134.1 Å²	134.1	41%	0.413	71%	0.712	S	S	.	*			trans	-80.2	139.7	168.6	82.3	0	0	0	0	109.3	N21 G22 N23	S19-N21 PolarHBondContact O-N 3.23Å; S19-G22 PolarHBondContact O-N 2.59Å; S19-N23 PolarHBondContact OG-O 3.45Å
20	L	49.4	Very low	49.7	Very low	180 Å²	180	131.2 Å²	131.2	94%	0.942	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	3.3	176.9	-82.1	157.5	0	0	0	114.5
21	N	50.7	Low	52.1	Low	140 Å²	140	124.3 Å²	124.3	75%	0.749	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.3	25.7	-176.8	-80.3	-15.5	0	0	0	114.1	S19 N23	S19-N21 PolarHBondContact O-N 3.23Å; N21-N23 PolarHBondContact O-N 3.11Å
22	G	43.4	Very low	54.2	Low	72 Å²	72	121.9 Å²	121.9	74%	0.742	66%	0.662	S	S	*	*	S	Bend	trans	69.4	-9.6	160.1	0	0	0	0	0	118.3	S19	S19-G22 PolarHBondContact O-N 2.59Å
23	N	52.1	Low	56.1	Low	129 Å²	129	122 Å²	122	69%	0.69	66%	0.659	S	S	*	*			trans	-104.1	115.5	174.3	-73.1	-22.1	0	0	0	110.1	S19 N21 V25	S19-N23 PolarHBondContact OG-O 3.45Å; N21-N23 PolarHBondContact O-N 3.11Å; N23-V25 PolarHBondContact O-N 2.99Å
24	E	55.1	Low	58.2	Low	194 Å²	194	122 Å²	122	91%	0.907	65%	0.649	S	S	*	*			trans	-67.8	111.9	167.7	-90.6	-175.4	159	0	0	109
25	V	62.2	Low	60.2	Low	84 Å²	84	122 Å²	122	51%	0.509	63%	0.63	S	S	.	*			trans	-88.8	113	171.5	-179.7	0	0	0	0	107.6	N23 E27 L30	N23-V25 PolarHBondContact O-N 2.99Å; V25-E27 PolarHBondContact O-N 3.28Å; V25-L30 HydrophobicContact CG1-CD1 4.01Å; V25-L30 HydrophobicContact CG1-CD2 3.82Å; V25-L30 HydrophobicContact CG1-CG 4.16Å
26	D	71	Confident	62.2	Low	78 Å²	78	124.4 Å²	124.4	42%	0.417	63%	0.63	S	S	.	*			trans	-63	99.2	171.3	178.8	3.5	0	0	0	110.1	S28 K29	D26-S28 VanDerWaalsContact CG-OG 3.23Å; D26-S28 PolarHBondContact O-N 3.13Å; D26-S28 VanDerWaalsContact O-N 3.15Å; D26-S28 VanDerWaalsContact OD1-CB 3.27Å; D26-S28 WeakPolarHBondContact OD1-CB 3.5Å; D26-S28 PolarHBondContact OD1-N 3.13Å; D26-S28 VanDerWaalsContact OD1-N 3.11Å; D26-S28 PolarHBondContact OD1-OG 3.19Å; D26-S28 PolarHBondContact OD2-OG 2.67Å; D26-K29 PolarHBondContact O-N 3.33Å; D26-K29 WeakPolarHBondContact OD2-CD 3.25Å; D26-K29 VanDerWaalsContact OD2-CE 3.25Å; D26-K29 WeakPolarHBondContact OD2-CE 3.27Å; D26-K29 IonicContact OD2-NZ 3.93Å
27	E	66.8	Low	64.4	Low	90 Å²	90	121 Å²	121	42%	0.421	62%	0.615	S	S	.	*	G	3₁₀ helix	trans	-62.4	-20.5	-177.2	-67.7	-172.5	-173.7	0	0	113.3	V25 K29 L30 R35 L38 R42	V25-E27 PolarHBondContact O-N 3.28Å; E27-K29 PolarHBondContact O-N 3.33Å; E27-L30 HydrophobicContact CB-CD1 4.32Å; E27-L30 HydrophobicContact CG-CD1 4.19Å; E27-L30 PolarHBondContact O-N 3.18Å; E27-R35 PolarHBondContact O-NE 3.3Å; E27-R35 VanDerWaalsContact O-NE 3.09Å; E27-R35 PolarHBondContact O-NH2 2.98Å; E27-L38 HydrophobicContact CG-CD2 4.09Å; E27-R42 IonicContact OE1-CZ 3.17Å; E27-R42 VanDerWaalsContact OE1-CZ 3.32Å; E27-R42 IonicContact OE1-NH1 2.71Å; E27-R42 PolarHBondContact OE1-NH1 3.21Å; E27-R42 IonicContact OE1-NH2 2.77Å; E27-R42 PolarHBondContact OE1-NH2 2.97Å; E27-R42 VanDerWaalsContact OE1-NH2 3.13Å
28	S	72.5	Confident	66.2	Low	83 Å²	83	117 Å²	117	58%	0.58	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-65.1	-28.9	178.5	77.2	0	0	0	0	112	D26 R35	D26-S28 VanDerWaalsContact CG-OG 3.23Å; D26-S28 PolarHBondContact O-N 3.13Å; D26-S28 VanDerWaalsContact O-N 3.15Å; D26-S28 VanDerWaalsContact OD1-CB 3.27Å; D26-S28 WeakPolarHBondContact OD1-CB 3.5Å; D26-S28 PolarHBondContact OD1-N 3.13Å; D26-S28 VanDerWaalsContact OD1-N 3.11Å; D26-S28 PolarHBondContact OD1-OG 3.19Å; D26-S28 PolarHBondContact OD2-OG 2.67Å; S28-R35 PolarHBondContact O-NH2 3.32Å; S28-R35 VanDerWaalsContact O-NH2 3.13Å
29	K	77.8	Confident	68.2	Low	172 Å²	172	109.7 Å²	109.7	75%	0.748	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-89.9	-6.5	-179.1	-64.8	-178.8	-176.8	175.5	0	114.7	D26 E27	D26-K29 PolarHBondContact O-N 3.33Å; D26-K29 WeakPolarHBondContact OD2-CD 3.25Å; D26-K29 VanDerWaalsContact OD2-CE 3.25Å; D26-K29 WeakPolarHBondContact OD2-CE 3.27Å; D26-K29 IonicContact OD2-NZ 3.93Å; E27-K29 PolarHBondContact O-N 3.33Å
30	L	78.6	Confident	70.1	Confident	32 Å²	32	111.2 Å²	111.2	17%	0.168	56%	0.561	C	S	.	*			trans	-76.1	135	-178	-64.5	174.2	0	0	0	111.7	V25 E27 Q34 R35 L38	V25-L30 HydrophobicContact CG1-CD1 4.01Å; V25-L30 HydrophobicContact CG1-CD2 3.82Å; V25-L30 HydrophobicContact CG1-CG 4.16Å; E27-L30 HydrophobicContact CB-CD1 4.32Å; E27-L30 HydrophobicContact CG-CD1 4.19Å; E27-L30 PolarHBondContact O-N 3.18Å; L30-Q34 HydrophobicContact CB-CB 3.98Å; L30-Q34 HydrophobicContact CD2-CB 3.89Å; L30-Q34 HydrophobicContact CG-CB 4.43Å; L30-R35 HydrophobicContact CB-CG 3.59Å; L30-R35 HydrophobicContact CD1-CG 4.32Å; L30-R35 PolarHBondContact O-NE 3.17Å; L30-L38 HydrophobicContact CD1-CD2 3.77Å
31	T	83.2	Confident	71.7	Confident	78 Å²	78	110.2 Å²	110.2	48%	0.479	55%	0.549	S	S	.	.			trans	-62.7	160	168.8	64.5	0	0	0	0	110.8	Y33 Q34 R35	T31-Y33 PolarHBondContact O-N 3.15Å; T31-Y33 VanDerWaalsContact O-N 3.17Å; T31-Q34 PolarHBondContact O-N 3.09Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.39Å; T31-Q34 PolarHBondContact OG1-N 3.27Å; T31-Q34 PolarHBondContact OG1-OE1 3.3Å; T31-R35 PolarHBondContact O-N 3.3Å
32	K	76	Confident	73.3	Confident	192 Å²	192	108 Å²	108	84%	0.835	53%	0.53	S	S	*	.	H	α-helix	trans	-51.9	-40.7	176.6	-71.7	-176.7	-179.7	177.4	0	112.4	R35 F36	K32-R35 PolarHBondContact O-N 2.88Å; K32-F36 PolarHBondContact O-N 2.85Å
33	Y	77.5	Confident	75.3	Confident	165 Å²	165	109.6 Å²	109.6	65%	0.647	52%	0.515	S	S	*	.	H	α-helix	trans	-66	-42.7	177.3	179.1	-101.6	0	0	0	112.3	T31 F36 K37	T31-Y33 PolarHBondContact O-N 3.15Å; T31-Y33 VanDerWaalsContact O-N 3.17Å; Y33-F36 PolarHBondContact O-N 3.38Å; Y33-K37 HydrophobicContact CE1-CD 4.48Å; Y33-K37 WeakPolarHBondContact O-CB 3.47Å; Y33-K37 PolarHBondContact O-N 3.35Å
34	Q	78.1	Confident	77.1	Confident	90 Å²	90	110.3 Å²	110.3	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-67.1	-39.6	177.1	-72.3	169.7	-29.9	0	0	112.2	L30 T31 F36 K37 L38	L30-Q34 HydrophobicContact CB-CB 3.98Å; L30-Q34 HydrophobicContact CD2-CB 3.89Å; L30-Q34 HydrophobicContact CG-CB 4.43Å; T31-Q34 PolarHBondContact O-N 3.09Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.39Å; T31-Q34 PolarHBondContact OG1-N 3.27Å; T31-Q34 PolarHBondContact OG1-OE1 3.3Å; Q34-F36 VanDerWaalsContact C-N 3.34Å; Q34-K37 PolarHBondContact O-N 2.95Å; Q34-L38 WeakPolarHBondContact O-CB 3.32Å; Q34-L38 PolarHBondContact O-N 3.44Å
35	R	78.2	Confident	78.5	Confident	125 Å²	125	107.6 Å²	107.6	47%	0.472	49%	0.49	S	S	.	.	H	α-helix	trans	-60.7	-43.4	172.5	-69.5	-172.6	-175.2	167.7	6.9	111.4	E27 S28 L30 T31 K32 L38 A39	E27-R35 PolarHBondContact O-NE 3.3Å; E27-R35 VanDerWaalsContact O-NE 3.09Å; E27-R35 PolarHBondContact O-NH2 2.98Å; S28-R35 PolarHBondContact O-NH2 3.32Å; S28-R35 VanDerWaalsContact O-NH2 3.13Å; L30-R35 HydrophobicContact CB-CG 3.59Å; L30-R35 HydrophobicContact CD1-CG 4.32Å; L30-R35 PolarHBondContact O-NE 3.17Å; T31-R35 PolarHBondContact O-N 3.3Å; K32-R35 PolarHBondContact O-N 2.88Å; R35-L38 PolarHBondContact O-N 3.49Å; R35-A39 VanDerWaalsContact O-CB 3.3Å; R35-A39 WeakPolarHBondContact O-CB 3.43Å; R35-A39 PolarHBondContact O-N 3.02Å
36	F	78.9	Confident	79.4	Confident	130 Å²	130	106.9 Å²	106.9	57%	0.57	49%	0.486	S	S	*	.	H	α-helix	trans	-61.9	-45.8	174.7	177	-98.1	0	0	0	111.9	K32 Y33 Q34 L38 A39 F40	K32-F36 PolarHBondContact O-N 2.85Å; Y33-F36 PolarHBondContact O-N 3.38Å; Q34-F36 VanDerWaalsContact C-N 3.34Å; F36-L38 VanDerWaalsContact C-N 3.31Å; F36-L38 PolarHBondContact O-N 3.27Å; F36-A39 PolarHBondContact O-N 2.79Å; F36-F40 HydrophobicContact CZ-CD2 4.48Å; F36-F40 WeakPolarHBondContact O-CB 3.43Å; F36-F40 PolarHBondContact O-N 2.9Å
37	K	80.5	Confident	79.6	Confident	135 Å²	135	106.6 Å²	106.6	59%	0.587	48%	0.484	S	S	*	.	H	α-helix	trans	-62.4	-38.7	178.2	-163.6	175.7	-176	176.9	0	111.9	Y33 Q34 K41	Y33-K37 HydrophobicContact CE1-CD 4.48Å; Y33-K37 WeakPolarHBondContact O-CB 3.47Å; Y33-K37 PolarHBondContact O-N 3.35Å; Q34-K37 PolarHBondContact O-N 2.95Å; K37-K41 WeakPolarHBondContact O-CB 3.23Å; K37-K41 PolarHBondContact O-N 3.3Å
38	L	79.7	Confident	80.1	Confident	40 Å²	40	106.7 Å²	106.7	21%	0.209	49%	0.487	C	S	.	.	H	α-helix	trans	-67.9	-45	175.1	-171.6	67.4	0	0	0	111.7	E27 L30 Q34 R35 F36 K41 R42	E27-L38 HydrophobicContact CG-CD2 4.09Å; L30-L38 HydrophobicContact CD1-CD2 3.77Å; Q34-L38 WeakPolarHBondContact O-CB 3.32Å; Q34-L38 PolarHBondContact O-N 3.44Å; R35-L38 PolarHBondContact O-N 3.49Å; F36-L38 VanDerWaalsContact C-N 3.31Å; F36-L38 PolarHBondContact O-N 3.27Å; L38-K41 PolarHBondContact O-N 3.4Å; L38-R42 WeakPolarHBondContact O-CG 3.37Å; L38-R42 PolarHBondContact O-N 2.96Å
39	A	78.7	Confident	80.5	Confident	36 Å²	36	106 Å²	106	30%	0.298	48%	0.481	S	S	.	.	H	α-helix	trans	-62.3	-43.7	176.2	0	0	0	0	0	111.6	R35 F36 R42 Y43	R35-A39 VanDerWaalsContact O-CB 3.3Å; R35-A39 WeakPolarHBondContact O-CB 3.43Å; R35-A39 PolarHBondContact O-N 3.02Å; F36-A39 PolarHBondContact O-N 2.79Å; A39-R42 PolarHBondContact O-N 2.81Å; A39-Y43 WeakPolarHBondContact O-CB 3.37Å; A39-Y43 WeakPolarHBondContact O-CD2 3.41Å; A39-Y43 PolarHBondContact O-N 3.29Å
40	F	81.7	Confident	80.6	Confident	90 Å²	90	101.8 Å²	101.8	40%	0.395	47%	0.469	S	S	.	.	H	α-helix	trans	-61.4	-45.9	174.3	-166.4	-94.9	0	0	0	110.6	F36 R42 Y43 W44 L47 L48	F36-F40 HydrophobicContact CZ-CD2 4.48Å; F36-F40 WeakPolarHBondContact O-CB 3.43Å; F36-F40 PolarHBondContact O-N 2.9Å; F40-R42 VanDerWaalsContact C-N 3.3Å; F40-R42 PolarHBondContact O-N 2.87Å; F40-Y43 PolarHBondContact O-N 3.37Å; F40-W44 HydrophobicContact CD1-CB 4.35Å; F40-W44 HydrophobicContact CE1-CB 4.17Å; F40-W44 HydrophobicContact CZ-CB 4.27Å; F40-W44 WeakPolarHBondContact O-CA 3.45Å; F40-W44 WeakPolarHBondContact O-CB 3.2Å; F40-W44 PolarHBondContact O-N 2.84Å; F40-L47 HydrophobicContact CD2-CD1 4.38Å; F40-L48 HydrophobicContact CE2-CD1 4.47Å; F40-L48 HydrophobicContact CZ-CD1 4.09Å
41	K	82.5	Confident	80.5	Confident	159 Å²	159	105 Å²	105	69%	0.691	48%	0.483	S	S	*	.	H	α-helix	trans	-60.1	-37.9	177.2	-165.8	177.8	-177.1	-178.6	0	112.9	K37 L38	K37-K41 WeakPolarHBondContact O-CB 3.23Å; K37-K41 PolarHBondContact O-N 3.3Å; L38-K41 PolarHBondContact O-N 3.4Å
42	R	85.3	Confident	80.3	Confident	94 Å²	94	104.2 Å²	104.2	36%	0.355	48%	0.484	S	S	.	.	H	α-helix	trans	-81.1	-34.7	-179.3	-73.8	-175.3	-178	163.9	5.1	114.1	E27 L38 A39 F40 Y45	E27-R42 IonicContact OE1-CZ 3.17Å; E27-R42 VanDerWaalsContact OE1-CZ 3.32Å; E27-R42 IonicContact OE1-NH1 2.71Å; E27-R42 PolarHBondContact OE1-NH1 3.21Å; E27-R42 IonicContact OE1-NH2 2.77Å; E27-R42 PolarHBondContact OE1-NH2 2.97Å; E27-R42 VanDerWaalsContact OE1-NH2 3.13Å; L38-R42 WeakPolarHBondContact O-CG 3.37Å; L38-R42 PolarHBondContact O-N 2.96Å; A39-R42 PolarHBondContact O-N 2.81Å; F40-R42 VanDerWaalsContact C-N 3.3Å; F40-R42 PolarHBondContact O-N 2.87Å; R42-Y45 VanDerWaalsContact O-CE1 3.23Å; R42-Y45 WeakPolarHBondContact O-CE1 3.3Å
43	Y	85.5	Confident	80.5	Confident	105 Å²	105	99.2 Å²	99.2	41%	0.412	47%	0.47	S	S	.	.	H	α-helix	trans	-128.1	18.8	-167.2	-56.2	-72.7	0	0	0	113.4	A39 F40 Y45 V46 L47	A39-Y43 WeakPolarHBondContact O-CB 3.37Å; A39-Y43 WeakPolarHBondContact O-CD2 3.41Å; A39-Y43 PolarHBondContact O-N 3.29Å; F40-Y43 PolarHBondContact O-N 3.37Å; Y43-Y45 PolarHBondContact O-N 2.91Å; Y43-Y45 VanDerWaalsContact O-N 3.12Å; Y43-V46 PolarHBondContact O-N 3.12Å; Y43-L47 WeakPolarHBondContact O-CB 3.24Å; Y43-L47 WeakPolarHBondContact O-CG 3.32Å; Y43-L47 PolarHBondContact O-N 3.31Å
44	W	88.5	Confident	80.4	Confident	144 Å²	144	94 Å²	94	55%	0.545	46%	0.455	S	S	.	.	H	α-helix	trans	-51.8	-38.8	-179.6	68.7	-87.9	0	0	0	111.9	F40 V46 L47 L48	F40-W44 HydrophobicContact CD1-CB 4.35Å; F40-W44 HydrophobicContact CE1-CB 4.17Å; F40-W44 HydrophobicContact CZ-CB 4.27Å; F40-W44 WeakPolarHBondContact O-CA 3.45Å; F40-W44 WeakPolarHBondContact O-CB 3.2Å; F40-W44 PolarHBondContact O-N 2.84Å; W44-V46 PolarHBondContact O-N 2.91Å; W44-L47 PolarHBondContact O-N 2.9Å; W44-L48 HydrophobicContact CB-CD1 4.34Å; W44-L48 HydrophobicContact CE3-CD1 3.77Å; W44-L48 WeakPolarHBondContact O-CB 3.16Å; W44-L48 PolarHBondContact O-N 3.29Å
45	Y	85.1	Confident	80.4	Confident	137 Å²	137	91 Å²	91	54%	0.537	44%	0.444	S	S	.	.	H	α-helix	trans	-68.4	-17	179.8	64.3	-91	0	0	0	114.1	R42 Y43 P49	R42-Y45 VanDerWaalsContact O-CE1 3.23Å; R42-Y45 WeakPolarHBondContact O-CE1 3.3Å; Y43-Y45 PolarHBondContact O-N 2.91Å; Y43-Y45 VanDerWaalsContact O-N 3.12Å; Y45-P49 WeakPolarHBondContact O-CD 3.2Å; Y45-P49 VanDerWaalsContact O-CG 3.24Å; Y45-P49 WeakPolarHBondContact O-CG 3.35Å
46	V	81.6	Confident	80.5	Confident	70 Å²	70	88 Å²	88	42%	0.424	45%	0.446	S	S	.	.	H	α-helix	trans	-97.9	-44.1	170.8	-177	0	0	0	0	110.4	Y43 W44 L48 P49 V50	Y43-V46 PolarHBondContact O-N 3.12Å; W44-V46 PolarHBondContact O-N 2.91Å; V46-L48 PolarHBondContact O-N 3.13Å; V46-P49 WeakPolarHBondContact O-CD 3.2Å; V46-V50 HydrophobicContact CG1-CG2 4.21Å; V46-V50 WeakPolarHBondContact O-CB 3.36Å; V46-V50 WeakPolarHBondContact O-CG2 3.44Å; V46-V50 PolarHBondContact O-N 3.5Å; V46-V50 VanDerWaalsContact O-N 3.13Å
47	L	75.6	Confident	80.5	Confident	72 Å²	72	86.6 Å²	86.6	38%	0.377	44%	0.444	S	S	.	.	H	α-helix	trans	-63.8	-43.3	-175.8	-72.1	167.7	0	0	0	112	F40 Y43 W44 H51	F40-L47 HydrophobicContact CD2-CD1 4.38Å; Y43-L47 WeakPolarHBondContact O-CB 3.24Å; Y43-L47 WeakPolarHBondContact O-CG 3.32Å; Y43-L47 PolarHBondContact O-N 3.31Å; W44-L47 PolarHBondContact O-N 2.9Å; L47-H51 WeakPolarHBondContact O-CB 3.31Å; L47-H51 PolarHBondContact O-N 2.91Å
48	L	77.1	Confident	80.3	Confident	91 Å²	91	84.3 Å²	84.3	48%	0.476	43%	0.431	S	S	.	.	H	α-helix	trans	-64.9	-51.8	-179.3	-90.3	150	0	0	0	112.5	F40 W44 V46 V50 H51 A52	F40-L48 HydrophobicContact CE2-CD1 4.47Å; F40-L48 HydrophobicContact CZ-CD1 4.09Å; W44-L48 HydrophobicContact CB-CD1 4.34Å; W44-L48 HydrophobicContact CE3-CD1 3.77Å; W44-L48 WeakPolarHBondContact O-CB 3.16Å; W44-L48 PolarHBondContact O-N 3.29Å; V46-L48 PolarHBondContact O-N 3.13Å; L48-V50 PolarHBondContact O-N 3.4Å; L48-H51 PolarHBondContact O-N 3.32Å; L48-A52 WeakPolarHBondContact O-CB 3.47Å; L48-A52 PolarHBondContact O-N 3.35Å
49	P	81.1	Confident	80.2	Confident	70 Å²	70	83.9 Å²	83.9	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-61.5	-42.1	176.7	-26.8	36.4	0	0	0	113.2	Y45 V46 A52 V53	Y45-P49 WeakPolarHBondContact O-CD 3.2Å; Y45-P49 VanDerWaalsContact O-CG 3.24Å; Y45-P49 WeakPolarHBondContact O-CG 3.35Å; V46-P49 WeakPolarHBondContact O-CD 3.2Å; P49-A52 PolarHBondContact O-N 3Å; P49-V53 VanDerWaalsContact O-CG2 3.31Å; P49-V53 WeakPolarHBondContact O-CG2 3.5Å; P49-V53 PolarHBondContact O-N 3.35Å
50	V	78.6	Confident	80.1	Confident	82 Å²	82	84.1 Å²	84.1	50%	0.497	44%	0.436	S	S	.	.	H	α-helix	trans	-61.2	-48.5	177.4	171.1	0	0	0	0	110.3	V46 L48 A52 V53 T54	V46-V50 HydrophobicContact CG1-CG2 4.21Å; V46-V50 WeakPolarHBondContact O-CB 3.36Å; V46-V50 WeakPolarHBondContact O-CG2 3.44Å; V46-V50 PolarHBondContact O-N 3.5Å; V46-V50 VanDerWaalsContact O-N 3.13Å; L48-V50 PolarHBondContact O-N 3.4Å; V50-A52 VanDerWaalsContact C-N 3.31Å; V50-A52 PolarHBondContact O-N 3.33Å; V50-V53 PolarHBondContact O-N 2.88Å; V50-T54 HydrophobicContact CG1-CG2 4.31Å; V50-T54 WeakPolarHBondContact O-CG2 3.18Å; V50-T54 PolarHBondContact O-N 2.92Å; V50-T54 PolarHBondContact O-OG1 3.46Å
51	H	76.5	Confident	79.8	Confident	100 Å²	100	82.5 Å²	82.5	46%	0.463	44%	0.436	S	S	.	.	H	α-helix	trans	-64.4	-36.4	179.8	-157.1	-66.5	0	0	0	112	L47 L48 T54 S55 N109	L47-H51 WeakPolarHBondContact O-CB 3.31Å; L47-H51 PolarHBondContact O-N 2.91Å; L48-H51 PolarHBondContact O-N 3.32Å; H51-T54 WeakPolarHBondContact CA-OG1 3.39Å; H51-T54 PolarHBondContact O-OG1 3.25Å; H51-S55 PolarHBondContact ND1-OG 2.89Å; H51-S55 WeakPolarHBondContact O-CB 3.32Å; H51-S55 PolarHBondContact O-N 2.94Å; H51-S55 PolarHBondContact O-OG 3.14Å; H51-N109 PolarHBondContact CE1-ND2 2.77Å
52	A	79.2	Confident	79.4	Confident	61 Å²	61	76 Å²	76	50%	0.504	41%	0.408	S	S	.	.	H	α-helix	trans	-65.1	-47.9	175.5	0	0	0	0	0	111.7	L48 P49 V50 S55 A56	L48-A52 WeakPolarHBondContact O-CB 3.47Å; L48-A52 PolarHBondContact O-N 3.35Å; P49-A52 PolarHBondContact O-N 3Å; V50-A52 VanDerWaalsContact C-N 3.31Å; V50-A52 PolarHBondContact O-N 3.33Å; A52-S55 PolarHBondContact O-N 2.76Å; A52-A56 WeakPolarHBondContact O-CB 3.33Å; A52-A56 PolarHBondContact O-N 3.44Å
53	V	80.2	Confident	79	Confident	87 Å²	87	76 Å²	76	53%	0.527	41%	0.408	S	S	.	.	H	α-helix	trans	-64.3	-47.2	178.5	171.9	0	0	0	0	111	P49 V50 S55 A56 I57	P49-V53 VanDerWaalsContact O-CG2 3.31Å; P49-V53 WeakPolarHBondContact O-CG2 3.5Å; P49-V53 PolarHBondContact O-N 3.35Å; V50-V53 PolarHBondContact O-N 2.88Å; V53-S55 VanDerWaalsContact C-N 3.33Å; V53-S55 PolarHBondContact O-N 3.06Å; V53-A56 PolarHBondContact O-N 2.85Å; V53-I57 HydrophobicContact CG1-CD1 3.88Å; V53-I57 VanDerWaalsContact O-CG1 3.32Å; V53-I57 WeakPolarHBondContact O-CG1 3.41Å; V53-I57 PolarHBondContact O-N 3.04Å
54	T	76.8	Confident	78.5	Confident	55 Å²	55	78.4 Å²	78.4	34%	0.337	42%	0.418	S	S	.	.	H	α-helix	trans	-63.9	-41.2	178.9	55.6	0	0	0	0	111.2	V50 H51 I57 W58	V50-T54 HydrophobicContact CG1-CG2 4.31Å; V50-T54 WeakPolarHBondContact O-CG2 3.18Å; V50-T54 PolarHBondContact O-N 2.92Å; V50-T54 PolarHBondContact O-OG1 3.46Å; H51-T54 WeakPolarHBondContact CA-OG1 3.39Å; H51-T54 PolarHBondContact O-OG1 3.25Å; T54-I57 PolarHBondContact O-N 3.4Å; T54-W58 PolarHBondContact O-N 3.04Å
55	S	77.8	Confident	77.6	Confident	27 Å²	27	73.6 Å²	73.6	19%	0.189	40%	0.403	C	S	.	.	H	α-helix	trans	-64.8	-41.1	177.3	-56.2	0	0	0	0	111.3	H51 A52 V53 I57 W58 V59	H51-S55 PolarHBondContact ND1-OG 2.89Å; H51-S55 WeakPolarHBondContact O-CB 3.32Å; H51-S55 PolarHBondContact O-N 2.94Å; H51-S55 PolarHBondContact O-OG 3.14Å; A52-S55 PolarHBondContact O-N 2.76Å; V53-S55 VanDerWaalsContact C-N 3.33Å; V53-S55 PolarHBondContact O-N 3.06Å; S55-I57 PolarHBondContact O-N 3.45Å; S55-W58 PolarHBondContact O-N 3.24Å; S55-V59 WeakPolarHBondContact O-CB 3.35Å; S55-V59 VanDerWaalsContact O-CG2 3.24Å; S55-V59 WeakPolarHBondContact O-CG2 3.45Å; S55-V59 PolarHBondContact O-N 2.95Å
56	A	79.2	Confident	76.8	Confident	63 Å²	63	67.9 Å²	67.9	52%	0.521	38%	0.381	S	S	.	.	H	α-helix	trans	-62.7	-41	176.2	0	0	0	0	0	112.3	A52 V53 G60	A52-A56 WeakPolarHBondContact O-CB 3.33Å; A52-A56 PolarHBondContact O-N 3.44Å; V53-A56 PolarHBondContact O-N 2.85Å; A56-G60 PolarHBondContact O-N 3.44Å
57	I	78.7	Confident	76.3	Confident	101 Å²	101	67.2 Å²	67.2	52%	0.518	38%	0.383	S	S	.	.	H	α-helix	trans	-63.1	-45.8	175.6	-68.7	166.8	0	0	0	111	V53 T54 S55 S61	V53-I57 HydrophobicContact CG1-CD1 3.88Å; V53-I57 VanDerWaalsContact O-CG1 3.32Å; V53-I57 WeakPolarHBondContact O-CG1 3.41Å; V53-I57 PolarHBondContact O-N 3.04Å; T54-I57 PolarHBondContact O-N 3.4Å; S55-I57 PolarHBondContact O-N 3.45Å; I57-S61 VanDerWaalsContact O-CB 3.31Å; I57-S61 WeakPolarHBondContact O-CB 3.46Å; I57-S61 PolarHBondContact O-N 3.35Å; I57-S61 PolarHBondContact O-OG 3.29Å
58	W	77.3	Confident	76.1	Confident	87 Å²	87	68.8 Å²	68.8	33%	0.33	39%	0.392	S	S	.	.	H	α-helix	trans	-65	-49	178.9	-76.8	117.6	0	0	0	111.8	T54 S55 G60 S61 F62 C105 M108	T54-W58 PolarHBondContact O-N 3.04Å; S55-W58 PolarHBondContact O-N 3.24Å; W58-G60 VanDerWaalsContact C-N 3.35Å; W58-G60 PolarHBondContact O-N 3.17Å; W58-S61 PolarHBondContact O-N 2.61Å; W58-F62 HydrophobicContact CB-CD2 4.48Å; W58-F62 HydrophobicContact CB-CE2 4.31Å; W58-F62 AromaticContact CE3-CE2 3.96Å; W58-F62 HydrophobicContact CE3-CE2 3.96Å; W58-F62 HydrophobicContact CE3-CZ 4.15Å; W58-F62 WeakPolarHBondContact O-CD2 3.38Å; W58-F62 PolarHBondContact O-N 2.9Å; W58-C105 HydrophobicContact CB-CB 4.27Å; W58-C105 VanDerWaalsContact CB-SG 3.54Å; W58-M108 HydrophobicContact CD2-CE 4.1Å; W58-M108 HydrophobicContact CD2-SD 4.24Å; W58-M108 HydrophobicContact CE3-CE 4.05Å; W58-M108 HydrophobicContact CE3-SD 3.86Å; W58-M108 HydrophobicContact CH2-CE 3.54Å; W58-M108 HydrophobicContact CH2-SD 4.28Å; W58-M108 HydrophobicContact CZ2-CE 3.57Å; W58-M108 HydrophobicContact CZ3-CE 3.77Å; W58-M108 HydrophobicContact CZ3-SD 3.88Å
59	V	76.9	Confident	75.6	Confident	31 Å²	31	67.7 Å²	67.7	19%	0.188	40%	0.403	C	S	.	.	H	α-helix	trans	-60.2	-44.9	177	173.4	0	0	0	0	110.8	S55 S61 F62 Y63 A101 F102 C105	S55-V59 WeakPolarHBondContact O-CB 3.35Å; S55-V59 VanDerWaalsContact O-CG2 3.24Å; S55-V59 WeakPolarHBondContact O-CG2 3.45Å; S55-V59 PolarHBondContact O-N 2.95Å; V59-S61 PolarHBondContact O-N 2.98Å; V59-F62 PolarHBondContact O-N 3.01Å; V59-Y63 VanDerWaalsContact O-CB 3.26Å; V59-Y63 WeakPolarHBondContact O-CB 3.43Å; V59-Y63 PolarHBondContact O-N 3.42Å; V59-A101 HydrophobicContact CG1-CB 4.15Å; V59-A101 WeakPolarHBondContact O-CB 3.39Å; V59-F102 HydrophobicContact CG2-CD2 4.21Å; V59-C105 HydrophobicContact CG2-CB 3.78Å
60	G	77.7	Confident	74.9	Confident	40 Å²	40	67 Å²	67	41%	0.412	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-41.3	176.5	0	0	0	0	0	113	A56 W58 Y63 Y64	A56-G60 PolarHBondContact O-N 3.44Å; W58-G60 VanDerWaalsContact C-N 3.35Å; W58-G60 PolarHBondContact O-N 3.17Å; G60-Y63 PolarHBondContact O-N 2.82Å; G60-Y64 WeakPolarHBondContact O-CB 3.44Å; G60-Y64 PolarHBondContact O-N 3.35Å
61	S	74.9	Confident	74.4	Confident	56 Å²	56	67.8 Å²	67.8	39%	0.392	39%	0.394	S	S	.	.	H	α-helix	trans	-65.8	-45.8	178	-59.3	0	0	0	0	111.8	I57 W58 V59 Y64 L65	I57-S61 VanDerWaalsContact O-CB 3.31Å; I57-S61 WeakPolarHBondContact O-CB 3.46Å; I57-S61 PolarHBondContact O-N 3.35Å; I57-S61 PolarHBondContact O-OG 3.29Å; W58-S61 PolarHBondContact O-N 2.61Å; V59-S61 PolarHBondContact O-N 2.98Å; S61-Y64 PolarHBondContact O-N 3.48Å; S61-L65 WeakPolarHBondContact O-CG 3.46Å; S61-L65 PolarHBondContact O-N 3.29Å
62	F	74.8	Confident	73.7	Confident	23 Å²	23	63.3 Å²	63.3	10%	0.101	37%	0.374	C	S	.	.	H	α-helix	trans	-65.9	-40.7	176.4	-71.3	-56.6	0	0	0	112.3	W58 V59 Y64 L65 L66 A101 L104 C105 M108	W58-F62 HydrophobicContact CB-CD2 4.48Å; W58-F62 HydrophobicContact CB-CE2 4.31Å; W58-F62 AromaticContact CE3-CE2 3.96Å; W58-F62 HydrophobicContact CE3-CE2 3.96Å; W58-F62 HydrophobicContact CE3-CZ 4.15Å; W58-F62 WeakPolarHBondContact O-CD2 3.38Å; W58-F62 PolarHBondContact O-N 2.9Å; V59-F62 PolarHBondContact O-N 3.01Å; F62-Y64 VanDerWaalsContact C-N 3.31Å; F62-Y64 PolarHBondContact O-N 2.69Å; F62-L65 HydrophobicContact CD1-CD1 4.26Å; F62-L65 PolarHBondContact O-N 2.91Å; F62-L66 WeakPolarHBondContact O-CB 3.42Å; F62-L66 WeakPolarHBondContact O-CD1 3.28Å; F62-L66 WeakPolarHBondContact O-CG 3.35Å; F62-L66 PolarHBondContact O-N 3.42Å; F62-A101 HydrophobicContact CB-CB 3.61Å; F62-L104 HydrophobicContact CB-CD1 4.23Å; F62-L104 HydrophobicContact CD1-CB 4.07Å; F62-L104 HydrophobicContact CD1-CD1 3.6Å; F62-L104 HydrophobicContact CD1-CG 4.46Å; F62-L104 HydrophobicContact CD2-CB 3.79Å; F62-L104 HydrophobicContact CE1-CB 4.06Å; F62-L104 HydrophobicContact CE1-CD1 4.06Å; F62-L104 HydrophobicContact CE2-CB 3.8Å; F62-L104 HydrophobicContact CG-CB 3.94Å; F62-L104 HydrophobicContact CG-CD1 3.93Å; F62-L104 HydrophobicContact CZ-CB 3.93Å; F62-C105 HydrophobicContact CD2-CB 4.42Å; F62-C105 HydrophobicContact CE2-CB 4.46Å; F62-M108 HydrophobicContact CE2-SD 3.93Å; F62-M108 HydrophobicContact CZ-SD 3.59Å; F62-M108 VanDerWaalsContact CZ-SD 3.59Å
63	Y	76.6	Confident	72.9	Confident	94 Å²	94	61.9 Å²	61.9	37%	0.369	36%	0.359	S	S	.	.	H	α-helix	trans	-60.6	-42.5	174.8	176.9	-97.9	0	0	0	111.4	V59 G60 L66 A67 N97 I98	V59-Y63 VanDerWaalsContact O-CB 3.26Å; V59-Y63 WeakPolarHBondContact O-CB 3.43Å; V59-Y63 PolarHBondContact O-N 3.42Å; G60-Y63 PolarHBondContact O-N 2.82Å; Y63-L66 WeakPolarHBondContact O-CB 3.27Å; Y63-L66 PolarHBondContact O-N 3.45Å; Y63-A67 WeakPolarHBondContact O-CB 3.37Å; Y63-A67 PolarHBondContact O-N 2.96Å; Y63-N97 HydrophobicContact CD2-CB 3.9Å; Y63-N97 HydrophobicContact CE2-CB 3.87Å; Y63-I98 HydrophobicContact CD2-CG1 3.62Å; Y63-I98 HydrophobicContact CE2-CD1 4.31Å; Y63-I98 HydrophobicContact CE2-CG1 3.55Å
64	Y	74.7	Confident	72.2	Confident	156 Å²	156	59 Å²	59	61%	0.612	35%	0.347	S	S	*	.	H	α-helix	trans	-62.1	-43.3	175.9	-178.7	-95.9	0	0	0	112	G60 S61 F62 L66 A67 N68	G60-Y64 WeakPolarHBondContact O-CB 3.44Å; G60-Y64 PolarHBondContact O-N 3.35Å; S61-Y64 PolarHBondContact O-N 3.48Å; F62-Y64 VanDerWaalsContact C-N 3.31Å; F62-Y64 PolarHBondContact O-N 2.69Å; Y64-L66 VanDerWaalsContact C-N 3.35Å; Y64-L66 PolarHBondContact O-N 3.23Å; Y64-A67 PolarHBondContact O-N 2.92Å; Y64-N68 WeakPolarHBondContact CD2-ND2 3.36Å; Y64-N68 VanDerWaalsContact CE2-ND2 3.29Å; Y64-N68 WeakPolarHBondContact CE2-ND2 3.47Å; Y64-N68 PolarHBondContact O-N 3.4Å; Y64-N68 VanDerWaalsContact O-N 3.13Å; Y64-N68 PolarHBondContact O-ND2 3.31Å
65	L	69.7	Low	71.7	Confident	43 Å²	43	58.7 Å²	58.7	23%	0.225	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-45.3	175.6	-69.5	167.1	0	0	0	111.7	S61 F62 N68 F70 L123	S61-L65 WeakPolarHBondContact O-CG 3.46Å; S61-L65 PolarHBondContact O-N 3.29Å; F62-L65 HydrophobicContact CD1-CD1 4.26Å; F62-L65 PolarHBondContact O-N 2.91Å; L65-N68 PolarHBondContact O-N 3.37Å; L65-F70 HydrophobicContact CB-CB 4.27Å; L65-F70 WeakPolarHBondContact O-CB 3.45Å; L65-F70 PolarHBondContact O-N 3Å; L65-L123 HydrophobicContact CD1-CD2 3.5Å; L65-L123 HydrophobicContact CD2-CD2 3.93Å; L65-L123 HydrophobicContact CG-CD2 4.38Å
66	L	68.3	Low	71	Confident	16 Å²	16	57.8 Å²	57.8	8%	0.084	34%	0.338	C	S	.	.	H	α-helix	trans	-61.2	-45.6	177.3	-78.2	160.4	0	0	0	112.4	F62 Y63 Y64 N68 G69 V72 N97 L100 A101	F62-L66 WeakPolarHBondContact O-CB 3.42Å; F62-L66 WeakPolarHBondContact O-CD1 3.28Å; F62-L66 WeakPolarHBondContact O-CG 3.35Å; F62-L66 PolarHBondContact O-N 3.42Å; Y63-L66 WeakPolarHBondContact O-CB 3.27Å; Y63-L66 PolarHBondContact O-N 3.45Å; Y64-L66 VanDerWaalsContact C-N 3.35Å; Y64-L66 PolarHBondContact O-N 3.23Å; L66-N68 PolarHBondContact O-N 3.49Å; L66-G69 PolarHBondContact O-N 2.89Å; L66-V72 HydrophobicContact CD2-CB 3.41Å; L66-V72 VanDerWaalsContact CD2-CB 3.41Å; L66-V72 HydrophobicContact CD2-CG1 4.01Å; L66-V72 HydrophobicContact CD2-CG2 3.15Å; L66-V72 HydrophobicContact CG-CB 4.35Å; L66-V72 HydrophobicContact CG-CG2 3.62Å; L66-N97 HydrophobicContact CB-CB 3.99Å; L66-N97 HydrophobicContact CD1-CB 4.42Å; L66-N97 WeakPolarHBondContact CD1-O 3.36Å; L66-L100 HydrophobicContact CD1-CB 3.83Å; L66-L100 HydrophobicContact CD1-CD2 4.34Å; L66-L100 HydrophobicContact CD1-CG 4.16Å; L66-L100 HydrophobicContact CD2-CD2 3.63Å; L66-L100 HydrophobicContact CD2-CG 4.3Å; L66-A101 HydrophobicContact CD1-CB 4.13Å
67	A	70.8	Confident	70.5	Confident	56 Å²	56	60 Å²	60	46%	0.463	33%	0.333	S	S	.	.	H	α-helix	trans	-66.7	-24.8	179.9	0	0	0	0	0	113.2	Y63 Y64	Y63-A67 WeakPolarHBondContact O-CB 3.37Å; Y63-A67 PolarHBondContact O-N 2.96Å; Y64-A67 PolarHBondContact O-N 2.92Å
68	N	72.2	Confident	69.9	Low	105 Å²	105	59.5 Å²	59.5	56%	0.561	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	20.3	-179.5	-72.2	-83.2	0	0	0	113.7	Y64 L65 L66	Y64-N68 WeakPolarHBondContact CD2-ND2 3.36Å; Y64-N68 VanDerWaalsContact CE2-ND2 3.29Å; Y64-N68 WeakPolarHBondContact CE2-ND2 3.47Å; Y64-N68 PolarHBondContact O-N 3.4Å; Y64-N68 VanDerWaalsContact O-N 3.13Å; Y64-N68 PolarHBondContact O-ND2 3.31Å; L65-N68 PolarHBondContact O-N 3.37Å; L66-N68 PolarHBondContact O-N 3.49Å
69	G	64.8	Low	69.3	Low	69 Å²	69	59.4 Å²	59.4	71%	0.711	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	19.4	168.7	0	0	0	0	0	115.4	L66 D71	L66-G69 PolarHBondContact O-N 2.89Å; G69-D71 PolarHBondContact O-N 3.03Å
70	F	66.7	Low	68.7	Low	54 Å²	54	61.1 Å²	61.1	24%	0.237	37%	0.37	C	S	.	.			trans	-68.4	128	169.1	-170.9	-81.8	0	0	0	110	L65 V72 V75 F122	L65-F70 HydrophobicContact CB-CB 4.27Å; L65-F70 WeakPolarHBondContact O-CB 3.45Å; L65-F70 PolarHBondContact O-N 3Å; F70-V72 HydrophobicContact CB-CG2 4.47Å; F70-V72 HydrophobicContact CD1-CB 4.33Å; F70-V72 HydrophobicContact CD1-CG2 3.38Å; F70-V72 HydrophobicContact CE1-CG2 4Å; F70-V72 HydrophobicContact CG-CG2 4.36Å; F70-V72 PolarHBondContact O-N 3.32Å; F70-V75 HydrophobicContact CE1-CG2 3.61Å; F70-V75 HydrophobicContact CZ-CG2 4.02Å; F70-F122 HydrophobicContact CE2-CE1 4.36Å; F70-F122 HydrophobicContact CZ-CD1 4.37Å; F70-F122 HydrophobicContact CZ-CE1 4.19Å
71	D	68.4	Low	68.3	Low	99 Å²	99	60.8 Å²	60.8	53%	0.529	36%	0.36	S	S	.	.			trans	-73.4	71.4	178.5	-176.7	16.6	0	0	0	111.6	G69 V73 G74 V75	G69-D71 PolarHBondContact O-N 3.03Å; D71-V73 PolarHBondContact O-N 3.01Å; D71-V73 PolarHBondContact OD1-N 3.07Å; D71-G74 PolarHBondContact O-N 3Å; D71-G74 PolarHBondContact OD1-N 3.36Å; D71-V75 PolarHBondContact O-N 2.92Å
72	V	61.5	Low	68.3	Low	6 Å²	6	61 Å²	61	4%	0.036	36%	0.362	C	S	.	.	H	α-helix	trans	-66.8	-28.5	177.5	-177.2	0	0	0	0	110.7	L66 F70 G74 V75 L76 L100 L104	L66-V72 HydrophobicContact CD2-CB 3.41Å; L66-V72 VanDerWaalsContact CD2-CB 3.41Å; L66-V72 HydrophobicContact CD2-CG1 4.01Å; L66-V72 HydrophobicContact CD2-CG2 3.15Å; L66-V72 HydrophobicContact CG-CB 4.35Å; L66-V72 HydrophobicContact CG-CG2 3.62Å; F70-V72 HydrophobicContact CB-CG2 4.47Å; F70-V72 HydrophobicContact CD1-CB 4.33Å; F70-V72 HydrophobicContact CD1-CG2 3.38Å; F70-V72 HydrophobicContact CE1-CG2 4Å; F70-V72 HydrophobicContact CG-CG2 4.36Å; F70-V72 PolarHBondContact O-N 3.32Å; V72-G74 VanDerWaalsContact C-N 3.33Å; V72-G74 PolarHBondContact O-N 3.26Å; V72-V75 PolarHBondContact O-N 3.38Å; V72-V75 VanDerWaalsContact O-N 3.13Å; V72-L76 HydrophobicContact CG1-CD1 3.9Å; V72-L76 HydrophobicContact CG1-CG 4.07Å; V72-L76 WeakPolarHBondContact O-CD1 3.17Å; V72-L76 WeakPolarHBondContact O-CG 3.46Å; V72-L76 PolarHBondContact O-N 2.92Å; V72-L100 HydrophobicContact CB-CD2 3.91Å; V72-L100 HydrophobicContact CG1-CD1 4.43Å; V72-L100 HydrophobicContact CG1-CD2 3.52Å; V72-L100 HydrophobicContact CG1-CG 3.76Å; V72-L104 HydrophobicContact CG1-CD1 3.85Å
73	V	63.3	Low	68.2	Low	31 Å²	31	64.4 Å²	64.4	19%	0.188	38%	0.378	C	S	.	.	H	α-helix	trans	-59.1	-46.9	173.5	174	0	0	0	0	110.2	D71 V75 L76 R77 V86 E90	D71-V73 PolarHBondContact O-N 3.01Å; D71-V73 PolarHBondContact OD1-N 3.07Å; V73-V75 VanDerWaalsContact C-N 3.31Å; V73-V75 PolarHBondContact O-N 3.25Å; V73-L76 PolarHBondContact O-N 2.96Å; V73-R77 VanDerWaalsContact CG1-NH1 3.34Å; V73-R77 WeakPolarHBondContact O-CB 3.38Å; V73-R77 WeakPolarHBondContact O-CG 3.31Å; V73-R77 PolarHBondContact O-N 3.11Å; V73-V86 HydrophobicContact CG1-CG1 3.75Å; V73-E90 WeakPolarHBondContact CG1-OE1 3.24Å; V73-E90 HydrophobicContact CG2-CG 4.12Å
74	G	66	Low	68	Low	27 Å²	27	68.7 Å²	68.7	28%	0.278	40%	0.398	S	S	.	.	H	α-helix	trans	-56.9	-42.9	172.7	0	0	0	0	0	112.8	D71 V72 S78	D71-G74 PolarHBondContact O-N 3Å; D71-G74 PolarHBondContact OD1-N 3.36Å; V72-G74 VanDerWaalsContact C-N 3.33Å; V72-G74 PolarHBondContact O-N 3.26Å; G74-S78 WeakPolarHBondContact O-CB 3.38Å; G74-S78 PolarHBondContact O-N 3.39Å
75	V	64.6	Low	67.7	Low	49 Å²	49	65.5 Å²	65.5	30%	0.297	39%	0.391	S	S	.	.	H	α-helix	trans	-65.3	-46.5	176.8	175.6	0	0	0	0	112.1	F70 D71 V72 V73 R77 S78 V79	F70-V75 HydrophobicContact CE1-CG2 3.61Å; F70-V75 HydrophobicContact CZ-CG2 4.02Å; D71-V75 PolarHBondContact O-N 2.92Å; V72-V75 PolarHBondContact O-N 3.38Å; V72-V75 VanDerWaalsContact O-N 3.13Å; V73-V75 VanDerWaalsContact C-N 3.31Å; V73-V75 PolarHBondContact O-N 3.25Å; V75-R77 VanDerWaalsContact C-N 3.34Å; V75-R77 PolarHBondContact O-N 3.01Å; V75-S78 WeakPolarHBondContact O-CA 3.38Å; V75-S78 WeakPolarHBondContact O-CB 3.11Å; V75-S78 PolarHBondContact O-N 3.19Å; V75-S78 PolarHBondContact O-OG 3.42Å; V75-V79 WeakPolarHBondContact O-CG2 3.2Å; V75-V79 PolarHBondContact O-N 3.46Å
76	L	64.9	Low	67.6	Low	8 Å²	8	63.5 Å²	63.5	4%	0.042	38%	0.381	C	S	.	.	H	α-helix	trans	-63.8	-40.5	-179.4	-66.5	158.5	0	0	0	112.3	V72 V73 S78 V79 G80 V81 V86 L89 L100 L104	V72-L76 HydrophobicContact CG1-CD1 3.9Å; V72-L76 HydrophobicContact CG1-CG 4.07Å; V72-L76 WeakPolarHBondContact O-CD1 3.17Å; V72-L76 WeakPolarHBondContact O-CG 3.46Å; V72-L76 PolarHBondContact O-N 2.92Å; V73-L76 PolarHBondContact O-N 2.96Å; L76-S78 VanDerWaalsContact C-N 3.29Å; L76-S78 PolarHBondContact O-N 3Å; L76-V79 VanDerWaalsContact O-CG2 3.32Å; L76-V79 WeakPolarHBondContact O-CG2 3.21Å; L76-V79 PolarHBondContact O-N 3.11Å; L76-G80 PolarHBondContact O-N 3.45Å; L76-V81 HydrophobicContact CB-CB 4.15Å; L76-V81 HydrophobicContact CB-CG2 4.21Å; L76-V81 HydrophobicContact CD2-CG2 3.9Å; L76-V81 PolarHBondContact O-N 3.37Å; L76-V81 VanDerWaalsContact O-N 3.1Å; L76-V86 HydrophobicContact CB-CG2 4.44Å; L76-L89 HydrophobicContact CD1-CD1 4.49Å; L76-L100 HydrophobicContact CD1-CD1 3.22Å; L76-L100 HydrophobicContact CD1-CD2 3.76Å; L76-L100 HydrophobicContact CD1-CG 3.93Å; L76-L100 HydrophobicContact CD2-CD1 3.97Å; L76-L100 HydrophobicContact CG-CD1 4.16Å; L76-L104 HydrophobicContact CD2-CD2 4.23Å
77	R	68.4	Low	67.7	Low	110 Å²	110	65.5 Å²	65.5	42%	0.415	39%	0.394	S	S	.	.	H	α-helix	trans	-60.3	-42.4	171.8	-75.7	-174.4	174.9	128	11.2	110.6	V73 V75 V79 G80 E83 V86 E90	V73-R77 VanDerWaalsContact CG1-NH1 3.34Å; V73-R77 WeakPolarHBondContact O-CB 3.38Å; V73-R77 WeakPolarHBondContact O-CG 3.31Å; V73-R77 PolarHBondContact O-N 3.11Å; V75-R77 VanDerWaalsContact C-N 3.34Å; V75-R77 PolarHBondContact O-N 3.01Å; R77-V79 VanDerWaalsContact C-N 3.27Å; R77-V79 PolarHBondContact O-N 3.33Å; R77-G80 PolarHBondContact O-N 3.28Å; R77-E83 IonicContact CZ-OE1 3.82Å; R77-E83 IonicContact NE-OE1 3.83Å; R77-E83 PolarHBondContact NE-OE1 3.05Å; R77-E83 IonicContact NE-OE2 2.92Å; R77-E83 IonicContact NH2-OE2 3.28Å; R77-V86 HydrophobicContact CG-CG1 4.42Å; R77-V86 HydrophobicContact CG-CG2 4.48Å; R77-E90 IonicContact CZ-OE1 3.37Å; R77-E90 IonicContact NH1-OE1 3.29Å; R77-E90 IonicContact NH2-OE1 3.62Å; R77-E90 PolarHBondContact NH2-OE1 3.11Å; R77-E90 IonicContact NH2-OE2 3.9Å
78	S	65.8	Low	67.5	Low	89 Å²	89	65.7 Å²	65.7	62%	0.622	40%	0.395	S	S	*	.	H	α-helix	trans	-64.5	-26.8	177.6	83	0	0	0	0	114.3	G74 V75 L76	G74-S78 WeakPolarHBondContact O-CB 3.38Å; G74-S78 PolarHBondContact O-N 3.39Å; V75-S78 WeakPolarHBondContact O-CA 3.38Å; V75-S78 WeakPolarHBondContact O-CB 3.11Å; V75-S78 PolarHBondContact O-N 3.19Å; V75-S78 PolarHBondContact O-OG 3.42Å; L76-S78 VanDerWaalsContact C-N 3.29Å; L76-S78 PolarHBondContact O-N 3Å
79	V	63.6	Low	67	Low	86 Å²	86	61.9 Å²	61.9	52%	0.521	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	6.5	178.2	-62.3	0	0	0	0	113.6	V75 L76 R77 V81	V75-V79 WeakPolarHBondContact O-CG2 3.2Å; V75-V79 PolarHBondContact O-N 3.46Å; L76-V79 VanDerWaalsContact O-CG2 3.32Å; L76-V79 WeakPolarHBondContact O-CG2 3.21Å; L76-V79 PolarHBondContact O-N 3.11Å; R77-V79 VanDerWaalsContact C-N 3.27Å; R77-V79 PolarHBondContact O-N 3.33Å; V79-V81 HydrophobicContact CG2-CG2 4.01Å
80	G	66.1	Low	66.9	Low	66 Å²	66	62.9 Å²	62.9	68%	0.68	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	24.4	172.3	0	0	0	0	0	115.1	L76 R77	L76-G80 PolarHBondContact O-N 3.45Å; R77-G80 PolarHBondContact O-N 3.28Å
81	V	67.7	Low	66.6	Low	34 Å²	34	66.2 Å²	66.2	21%	0.206	38%	0.381	C	S	.	.			trans	-65.7	136.4	172.8	174.7	0	0	0	0	109.5	L76 V79 E83 I85 V86	L76-V81 HydrophobicContact CB-CB 4.15Å; L76-V81 HydrophobicContact CB-CG2 4.21Å; L76-V81 HydrophobicContact CD2-CG2 3.9Å; L76-V81 PolarHBondContact O-N 3.37Å; L76-V81 VanDerWaalsContact O-N 3.1Å; V79-V81 HydrophobicContact CG2-CG2 4.01Å; V81-E83 PolarHBondContact O-N 3.46Å; V81-I85 HydrophobicContact CG1-CB 3.86Å; V81-I85 HydrophobicContact CG1-CD1 4.29Å; V81-I85 HydrophobicContact CG1-CG2 3.78Å; V81-V86 HydrophobicContact CB-CG2 4.39Å; V81-V86 HydrophobicContact CG1-CG2 4.11Å
82	S	74.5	Confident	66.2	Low	60 Å²	60	64.4 Å²	64.4	42%	0.42	37%	0.374	S	S	.	.			trans	-59.1	137.2	-176.6	72.6	0	0	0	0	111.8	K84 I85 V86	S82-K84 PolarHBondContact O-N 3.28Å; S82-K84 VanDerWaalsContact O-N 3.1Å; S82-I85 WeakPolarHBondContact O-CB 3.21Å; S82-I85 PolarHBondContact O-N 2.78Å; S82-I85 WeakPolarHBondContact OG-CD1 3.4Å; S82-I85 WeakPolarHBondContact OG-CG1 3.11Å; S82-V86 PolarHBondContact O-N 3.26Å
83	E	73.3	Confident	66	Low	95 Å²	95	69.6 Å²	69.6	44%	0.444	41%	0.407	S	S	.	.	H	α-helix	trans	-54.3	-33.2	177.9	-81	-62.1	148.9	0	0	112.7	R77 V81 I85 V86 T87	R77-E83 IonicContact CZ-OE1 3.82Å; R77-E83 IonicContact NE-OE1 3.83Å; R77-E83 PolarHBondContact NE-OE1 3.05Å; R77-E83 IonicContact NE-OE2 2.92Å; R77-E83 IonicContact NH2-OE2 3.28Å; V81-E83 PolarHBondContact O-N 3.46Å; E83-I85 PolarHBondContact O-N 3.12Å; E83-V86 PolarHBondContact O-N 3.39Å; E83-V86 VanDerWaalsContact O-N 3.09Å; E83-T87 WeakPolarHBondContact O-CB 3.32Å; E83-T87 PolarHBondContact O-N 3.44Å; E83-T87 PolarHBondContact O-OG1 3.09Å
84	K	73.8	Confident	65.9	Low	183 Å²	183	75.2 Å²	75.2	80%	0.796	43%	0.432	S	S	*	.	H	α-helix	trans	-55.5	-37.6	174.5	-168.2	179.6	-178	179.7	0	113.1	S82 A88	S82-K84 PolarHBondContact O-N 3.28Å; S82-K84 VanDerWaalsContact O-N 3.1Å; K84-A88 WeakPolarHBondContact O-CB 3.48Å; K84-A88 PolarHBondContact O-N 3.4Å
85	I	66.8	Low	65.7	Low	89 Å²	89	76.6 Å²	76.6	46%	0.456	44%	0.44	S	S	.	.	H	α-helix	trans	-76.1	-45.8	176.6	-66.6	169.6	0	0	0	109.4	V81 S82 E83 T87 A88 L89	V81-I85 HydrophobicContact CG1-CB 3.86Å; V81-I85 HydrophobicContact CG1-CD1 4.29Å; V81-I85 HydrophobicContact CG1-CG2 3.78Å; S82-I85 WeakPolarHBondContact O-CB 3.21Å; S82-I85 PolarHBondContact O-N 2.78Å; S82-I85 WeakPolarHBondContact OG-CD1 3.4Å; S82-I85 WeakPolarHBondContact OG-CG1 3.11Å; E83-I85 PolarHBondContact O-N 3.12Å; I85-T87 PolarHBondContact O-N 3.28Å; I85-A88 PolarHBondContact O-N 2.82Å; I85-L89 HydrophobicContact CG2-CD1 3.66Å; I85-L89 HydrophobicContact CG2-CG 4.49Å; I85-L89 VanDerWaalsContact O-CD1 3.28Å; I85-L89 WeakPolarHBondContact O-CD1 3.37Å; I85-L89 VanDerWaalsContact O-CG 3.23Å; I85-L89 WeakPolarHBondContact O-CG 3.31Å; I85-L89 PolarHBondContact O-N 2.92Å; I85-L89 VanDerWaalsContact O-N 3.14Å
86	V	67.9	Low	65.6	Low	1 Å²	1	74.4 Å²	74.4	1%	0.006	43%	0.428	C	S	.	.	H	α-helix	trans	-58.2	-49.9	180	179.6	0	0	0	0	111.6	V73 L76 R77 V81 S82 E83 A88 L89 E90	V73-V86 HydrophobicContact CG1-CG1 3.75Å; L76-V86 HydrophobicContact CB-CG2 4.44Å; R77-V86 HydrophobicContact CG-CG1 4.42Å; R77-V86 HydrophobicContact CG-CG2 4.48Å; V81-V86 HydrophobicContact CB-CG2 4.39Å; V81-V86 HydrophobicContact CG1-CG2 4.11Å; S82-V86 PolarHBondContact O-N 3.26Å; E83-V86 PolarHBondContact O-N 3.39Å; E83-V86 VanDerWaalsContact O-N 3.09Å; V86-A88 VanDerWaalsContact C-N 3.33Å; V86-A88 PolarHBondContact O-N 3.01Å; V86-L89 WeakPolarHBondContact O-CB 3.19Å; V86-L89 PolarHBondContact O-N 2.87Å; V86-L89 VanDerWaalsContact O-N 3.09Å; V86-E90 PolarHBondContact O-N 2.73Å
87	T	69.9	Low	65.7	Low	59 Å²	59	75.9 Å²	75.9	36%	0.362	44%	0.436	S	S	.	.	H	α-helix	trans	-64.4	-35	179	-47.9	0	0	0	0	112.5	E83 I85 L89 N91	E83-T87 WeakPolarHBondContact O-CB 3.32Å; E83-T87 PolarHBondContact O-N 3.44Å; E83-T87 PolarHBondContact O-OG1 3.09Å; I85-T87 PolarHBondContact O-N 3.28Å; T87-L89 PolarHBondContact O-N 3.11Å; T87-N91 PolarHBondContact O-N 3.33Å; T87-N91 PolarHBondContact O-ND2 3.03Å
88	A	68.2	Low	65.7	Low	59 Å²	59	75.1 Å²	75.1	49%	0.488	44%	0.439	S	S	.	.	H	α-helix	trans	-64.8	-33.1	175.1	0	0	0	0	0	111.7	K84 I85 V86 T92	K84-A88 WeakPolarHBondContact O-CB 3.48Å; K84-A88 PolarHBondContact O-N 3.4Å; I85-A88 PolarHBondContact O-N 2.82Å; V86-A88 VanDerWaalsContact C-N 3.33Å; V86-A88 PolarHBondContact O-N 3.01Å; A88-T92 PolarHBondContact O-OG1 3.47Å
89	L	60.6	Low	65.8	Low	26 Å²	26	73.1 Å²	73.1	14%	0.136	43%	0.428	C	S	.	.	H	α-helix	trans	-80.4	-36.2	-179.7	-65.7	159.9	0	0	0	112.7	L76 I85 V86 T87 N91 T92 A99 L100	L76-L89 HydrophobicContact CD1-CD1 4.49Å; I85-L89 HydrophobicContact CG2-CD1 3.66Å; I85-L89 HydrophobicContact CG2-CG 4.49Å; I85-L89 VanDerWaalsContact O-CD1 3.28Å; I85-L89 WeakPolarHBondContact O-CD1 3.37Å; I85-L89 VanDerWaalsContact O-CG 3.23Å; I85-L89 WeakPolarHBondContact O-CG 3.31Å; I85-L89 PolarHBondContact O-N 2.92Å; I85-L89 VanDerWaalsContact O-N 3.14Å; V86-L89 WeakPolarHBondContact O-CB 3.19Å; V86-L89 PolarHBondContact O-N 2.87Å; V86-L89 VanDerWaalsContact O-N 3.09Å; T87-L89 PolarHBondContact O-N 3.11Å; L89-N91 PolarHBondContact O-N 3.21Å; L89-T92 PolarHBondContact O-N 3.48Å; L89-A99 HydrophobicContact CD2-CB 3.81Å; L89-L100 HydrophobicContact CD1-CD1 3.39Å; L89-L100 HydrophobicContact CD1-CG 4.44Å; L89-L100 HydrophobicContact CD2-CB 4.17Å; L89-L100 HydrophobicContact CD2-CD1 4.27Å; L89-L100 HydrophobicContact CG-CD1 4.36Å
90	E	63.2	Low	65.9	Low	90 Å²	90	69.3 Å²	69.3	42%	0.421	40%	0.404	S	S	.	.	H	α-helix	trans	-58	-36.2	174.6	-78	176.2	165.7	0	0	112.3	V73 R77 V86 T92	V73-E90 WeakPolarHBondContact CG1-OE1 3.24Å; V73-E90 HydrophobicContact CG2-CG 4.12Å; R77-E90 IonicContact CZ-OE1 3.37Å; R77-E90 IonicContact NH1-OE1 3.29Å; R77-E90 IonicContact NH2-OE1 3.62Å; R77-E90 PolarHBondContact NH2-OE1 3.11Å; R77-E90 IonicContact NH2-OE2 3.9Å; V86-E90 PolarHBondContact O-N 2.73Å; E90-T92 VanDerWaalsContact C-N 3.32Å; E90-T92 PolarHBondContact O-N 3.2Å
91	N	60.8	Low	66	Low	123 Å²	123	66.1 Å²	66.1	66%	0.658	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	5.5	-172.2	-72.8	-46.6	0	0	0	115.2	T87 L89	T87-N91 PolarHBondContact O-N 3.33Å; T87-N91 PolarHBondContact O-ND2 3.03Å; L89-N91 PolarHBondContact O-N 3.21Å
92	T	59.4	Low	66.2	Low	61 Å²	61	70.7 Å²	70.7	37%	0.374	39%	0.389	S	S	.	.			trans	-129.4	92.3	-175.7	-20.9	0	0	0	0	112	A88 L89 E90 Q94 A95 G96	A88-T92 PolarHBondContact O-OG1 3.47Å; L89-T92 PolarHBondContact O-N 3.48Å; E90-T92 VanDerWaalsContact C-N 3.32Å; E90-T92 PolarHBondContact O-N 3.2Å; T92-Q94 PolarHBondContact O-N 3.32Å; T92-A95 HydrophobicContact CG2-CB 3.71Å; T92-G96 WeakPolarHBondContact O-CA 3.39Å; T92-G96 PolarHBondContact O-N 3.43Å
93	P	57.7	Low	65.9	Low	115 Å²	115	69.7 Å²	69.7	75%	0.747	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-15.4	-164.3	-24.4	32.8	0	0	0	117.2
94	Q	60.7	Low	65.6	Low	149 Å²	149	66.8 Å²	66.8	70%	0.696	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	-43	175.6	-70.3	-176.8	-5.2	0	0	112.7	T92 G96 N97 I98	T92-Q94 PolarHBondContact O-N 3.32Å; Q94-G96 VanDerWaalsContact C-N 3.29Å; Q94-G96 PolarHBondContact O-N 3.19Å; Q94-N97 PolarHBondContact O-N 3.45Å; Q94-I98 PolarHBondContact O-N 2.85Å
95	A	60.9	Low	65.3	Low	56 Å²	56	58.3 Å²	58.3	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-69.2	-28	175.8	0	0	0	0	0	112.5	T92 I98 A99	T92-A95 HydrophobicContact CG2-CB 3.71Å; A95-I98 PolarHBondContact O-N 2.87Å; A95-A99 VanDerWaalsContact O-CB 3.26Å; A95-A99 WeakPolarHBondContact O-CB 3.48Å; A95-A99 PolarHBondContact O-N 2.9Å
96	G	62.8	Low	65.3	Low	3 Å²	3	60.8 Å²	60.8	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-62.9	-43.3	175.3	0	0	0	0	0	111.3	T92 Q94 I98 A99 L100	T92-G96 WeakPolarHBondContact O-CA 3.39Å; T92-G96 PolarHBondContact O-N 3.43Å; Q94-G96 VanDerWaalsContact C-N 3.29Å; Q94-G96 PolarHBondContact O-N 3.19Å; G96-I98 PolarHBondContact O-N 3.28Å; G96-A99 PolarHBondContact O-N 2.73Å; G96-L100 WeakPolarHBondContact O-CB 3.36Å; G96-L100 PolarHBondContact O-N 3.46Å
97	N	67.1	Low	65	Low	40 Å²	40	66 Å²	66	21%	0.214	37%	0.372	C	S	.	.	H	α-helix	trans	-63.4	-41.5	177.1	-69.7	-13.8	0	0	0	112.4	Y63 L66 Q94 A101	Y63-N97 HydrophobicContact CD2-CB 3.9Å; Y63-N97 HydrophobicContact CE2-CB 3.87Å; L66-N97 HydrophobicContact CB-CB 3.99Å; L66-N97 HydrophobicContact CD1-CB 4.42Å; L66-N97 WeakPolarHBondContact CD1-O 3.36Å; Q94-N97 PolarHBondContact O-N 3.45Å; N97-A101 VanDerWaalsContact O-CB 3.28Å; N97-A101 WeakPolarHBondContact O-CB 3.37Å; N97-A101 PolarHBondContact O-N 2.74Å
98	I	69.2	Low	64.3	Low	93 Å²	93	66 Å²	66	48%	0.477	37%	0.368	S	S	.	.	H	α-helix	trans	-69.5	-47	178.3	-62.6	174.5	0	0	0	110.8	Y63 Q94 A95 G96 L100 A101 F102	Y63-I98 HydrophobicContact CD2-CG1 3.62Å; Y63-I98 HydrophobicContact CE2-CD1 4.31Å; Y63-I98 HydrophobicContact CE2-CG1 3.55Å; Q94-I98 PolarHBondContact O-N 2.85Å; A95-I98 PolarHBondContact O-N 2.87Å; G96-I98 PolarHBondContact O-N 3.28Å; I98-L100 PolarHBondContact O-N 3.24Å; I98-A101 PolarHBondContact O-N 3.33Å; I98-F102 WeakPolarHBondContact O-CB 3.37Å; I98-F102 PolarHBondContact O-N 3.19Å
99	A	67	Low	63.6	Low	47 Å²	47	67.2 Å²	67.2	39%	0.388	37%	0.366	S	S	.	.	H	α-helix	trans	-59.7	-37.2	178.3	0	0	0	0	0	111.4	L89 A95 G96 F102 A103	L89-A99 HydrophobicContact CD2-CB 3.81Å; A95-A99 VanDerWaalsContact O-CB 3.26Å; A95-A99 WeakPolarHBondContact O-CB 3.48Å; A95-A99 PolarHBondContact O-N 2.9Å; G96-A99 PolarHBondContact O-N 2.73Å; A99-F102 PolarHBondContact O-N 2.94Å; A99-A103 PolarHBondContact O-N 3.23Å
100	L	65.5	Low	63.1	Low	6 Å²	6	71.3 Å²	71.3	3%	0.031	39%	0.392	C	S	.	.	H	α-helix	trans	-75.7	-39.6	-179.6	-162.4	52.7	0	0	0	113.5	L66 V72 L76 L89 G96 I98 F102 A103 L104	L66-L100 HydrophobicContact CD1-CB 3.83Å; L66-L100 HydrophobicContact CD1-CD2 4.34Å; L66-L100 HydrophobicContact CD1-CG 4.16Å; L66-L100 HydrophobicContact CD2-CD2 3.63Å; L66-L100 HydrophobicContact CD2-CG 4.3Å; V72-L100 HydrophobicContact CB-CD2 3.91Å; V72-L100 HydrophobicContact CG1-CD1 4.43Å; V72-L100 HydrophobicContact CG1-CD2 3.52Å; V72-L100 HydrophobicContact CG1-CG 3.76Å; L76-L100 HydrophobicContact CD1-CD1 3.22Å; L76-L100 HydrophobicContact CD1-CD2 3.76Å; L76-L100 HydrophobicContact CD1-CG 3.93Å; L76-L100 HydrophobicContact CD2-CD1 3.97Å; L76-L100 HydrophobicContact CG-CD1 4.16Å; L89-L100 HydrophobicContact CD1-CD1 3.39Å; L89-L100 HydrophobicContact CD1-CG 4.44Å; L89-L100 HydrophobicContact CD2-CB 4.17Å; L89-L100 HydrophobicContact CD2-CD1 4.27Å; L89-L100 HydrophobicContact CG-CD1 4.36Å; G96-L100 WeakPolarHBondContact O-CB 3.36Å; G96-L100 PolarHBondContact O-N 3.46Å; I98-L100 PolarHBondContact O-N 3.24Å; L100-F102 PolarHBondContact O-N 3.34Å; L100-A103 PolarHBondContact O-N 2.9Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.3Å; L100-L104 PolarHBondContact O-N 2.92Å
101	A	69.7	Low	61.9	Low	0 Å²	0	70.9 Å²	70.9	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-57.7	-40	168.8	0	0	0	0	0	112	V59 F62 L66 N97 I98 C105	V59-A101 HydrophobicContact CG1-CB 4.15Å; V59-A101 WeakPolarHBondContact O-CB 3.39Å; F62-A101 HydrophobicContact CB-CB 3.61Å; L66-A101 HydrophobicContact CD1-CB 4.13Å; N97-A101 VanDerWaalsContact O-CB 3.28Å; N97-A101 WeakPolarHBondContact O-CB 3.37Å; N97-A101 PolarHBondContact O-N 2.74Å; I98-A101 PolarHBondContact O-N 3.33Å; A101-C105 WeakPolarHBondContact O-CB 3.49Å; A101-C105 PolarHBondContact O-N 3.05Å; A101-C105 VanDerWaalsContact O-N 3.07Å
102	F	71.5	Confident	60.9	Low	129 Å²	129	66.4 Å²	66.4	57%	0.566	39%	0.394	S	S	*	.	H	α-helix	trans	-68.7	-42.5	176.4	-169.7	-96.8	0	0	0	112.7	V59 I98 A99 L100 C105 K106	V59-F102 HydrophobicContact CG2-CD2 4.21Å; I98-F102 WeakPolarHBondContact O-CB 3.37Å; I98-F102 PolarHBondContact O-N 3.19Å; A99-F102 PolarHBondContact O-N 2.94Å; L100-F102 PolarHBondContact O-N 3.34Å; F102-C105 PolarHBondContact O-N 3.28Å; F102-K106 WeakPolarHBondContact O-CB 3.23Å; F102-K106 PolarHBondContact O-N 3.38Å
103	A	68.6	Low	60.5	Low	40 Å²	40	69 Å²	69	33%	0.331	41%	0.41	S	S	.	.	H	α-helix	trans	-60.5	-47.4	176.5	0	0	0	0	0	111.9	A99 L100 C105 K106 D107	A99-A103 PolarHBondContact O-N 3.23Å; L100-A103 PolarHBondContact O-N 2.9Å; A103-C105 VanDerWaalsContact C-N 3.32Å; A103-C105 PolarHBondContact O-N 3.24Å; A103-K106 PolarHBondContact O-N 2.93Å; A103-K106 VanDerWaalsContact O-N 3.11Å; A103-D107 PolarHBondContact O-N 3.4Å; A103-D107 VanDerWaalsContact O-N 3.11Å
104	L	66.3	Low	59.9	Low	33 Å²	33	74.1 Å²	74.1	17%	0.173	42%	0.415	C	S	.	.	H	α-helix	trans	-60.1	-41.4	175.8	-69.7	171.1	0	0	0	112	F62 V72 L76 L100 K106 M108	F62-L104 HydrophobicContact CB-CD1 4.23Å; F62-L104 HydrophobicContact CD1-CB 4.07Å; F62-L104 HydrophobicContact CD1-CD1 3.6Å; F62-L104 HydrophobicContact CD1-CG 4.46Å; F62-L104 HydrophobicContact CD2-CB 3.79Å; F62-L104 HydrophobicContact CE1-CB 4.06Å; F62-L104 HydrophobicContact CE1-CD1 4.06Å; F62-L104 HydrophobicContact CE2-CB 3.8Å; F62-L104 HydrophobicContact CG-CB 3.94Å; F62-L104 HydrophobicContact CG-CD1 3.93Å; F62-L104 HydrophobicContact CZ-CB 3.93Å; V72-L104 HydrophobicContact CG1-CD1 3.85Å; L76-L104 HydrophobicContact CD2-CD2 4.23Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.3Å; L100-L104 PolarHBondContact O-N 2.92Å; L104-K106 VanDerWaalsContact C-N 3.32Å; L104-K106 PolarHBondContact O-N 3.3Å; L104-M108 WeakPolarHBondContact O-CG 3.44Å; L104-M108 PolarHBondContact O-N 2.9Å
105	C	68.2	Low	59.2	Low	6 Å²	6	72.7 Å²	72.7	4%	0.041	41%	0.411	C	S	.	.	H	α-helix	trans	-65	-35.5	175.9	-172.6	0	0	0	0	112.5	W58 V59 F62 A101 F102 A103	W58-C105 HydrophobicContact CB-CB 4.27Å; W58-C105 VanDerWaalsContact CB-SG 3.54Å; V59-C105 HydrophobicContact CG2-CB 3.78Å; F62-C105 HydrophobicContact CD2-CB 4.42Å; F62-C105 HydrophobicContact CE2-CB 4.46Å; A101-C105 WeakPolarHBondContact O-CB 3.49Å; A101-C105 PolarHBondContact O-N 3.05Å; A101-C105 VanDerWaalsContact O-N 3.07Å; F102-C105 PolarHBondContact O-N 3.28Å; A103-C105 VanDerWaalsContact C-N 3.32Å; A103-C105 PolarHBondContact O-N 3.24Å
106	K	66	Low	58.4	Low	141 Å²	141	71.7 Å²	71.7	61%	0.613	40%	0.403	S	S	*	.	H	α-helix	trans	-70.7	-41.9	-179	-166.8	178.1	178.3	-176.5	0	111.8	F102 A103 L104 M108 N109	F102-K106 WeakPolarHBondContact O-CB 3.23Å; F102-K106 PolarHBondContact O-N 3.38Å; A103-K106 PolarHBondContact O-N 2.93Å; A103-K106 VanDerWaalsContact O-N 3.11Å; L104-K106 VanDerWaalsContact C-N 3.32Å; L104-K106 PolarHBondContact O-N 3.3Å; K106-M108 VanDerWaalsContact C-N 3.29Å; K106-M108 PolarHBondContact O-N 3.13Å; K106-N109 PolarHBondContact O-N 3.22Å
107	D	60.9	Low	57.5	Low	111 Å²	111	79.3 Å²	79.3	59%	0.594	44%	0.435	S	S	*	.	H	α-helix	trans	-65.8	-32.7	176.5	-83.5	-18.6	0	0	0	112.4	A103 N109 V110	A103-D107 PolarHBondContact O-N 3.4Å; A103-D107 VanDerWaalsContact O-N 3.11Å; D107-N109 VanDerWaalsContact C-N 3.25Å; D107-N109 PolarHBondContact O-N 2.9Å; D107-V110 PolarHBondContact O-N 3.48Å
108	M	54.9	Low	56.5	Low	58 Å²	58	81.3 Å²	81.3	29%	0.286	45%	0.453	S	S	.	.	H	α-helix	trans	-63.7	-28.6	174.4	-78.8	-163.8	57.3	0	0	113.9	W58 F62 L104 K106 V110 A116	W58-M108 HydrophobicContact CD2-CE 4.1Å; W58-M108 HydrophobicContact CD2-SD 4.24Å; W58-M108 HydrophobicContact CE3-CE 4.05Å; W58-M108 HydrophobicContact CE3-SD 3.86Å; W58-M108 HydrophobicContact CH2-CE 3.54Å; W58-M108 HydrophobicContact CH2-SD 4.28Å; W58-M108 HydrophobicContact CZ2-CE 3.57Å; W58-M108 HydrophobicContact CZ3-CE 3.77Å; W58-M108 HydrophobicContact CZ3-SD 3.88Å; F62-M108 HydrophobicContact CE2-SD 3.93Å; F62-M108 HydrophobicContact CZ-SD 3.59Å; F62-M108 VanDerWaalsContact CZ-SD 3.59Å; L104-M108 WeakPolarHBondContact O-CG 3.44Å; L104-M108 PolarHBondContact O-N 2.9Å; K106-M108 VanDerWaalsContact C-N 3.29Å; K106-M108 PolarHBondContact O-N 3.13Å; M108-V110 VanDerWaalsContact C-N 3.29Å; M108-V110 PolarHBondContact O-N 3.37Å; M108-A116 HydrophobicContact CE-CB 4.21Å
109	N	54.1	Low	55.2	Low	84 Å²	84	78.9 Å²	78.9	45%	0.449	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.1	178.9	-78.2	-27.2	0	0	0	113.4	H51 K106 D107	H51-N109 PolarHBondContact CE1-ND2 2.77Å; K106-N109 PolarHBondContact O-N 3.22Å; D107-N109 VanDerWaalsContact C-N 3.25Å; D107-N109 PolarHBondContact O-N 2.9Å
110	V	49.7	Very low	54	Low	113 Å²	113	83.4 Å²	83.4	69%	0.685	46%	0.458	S	S	*	.	S	Bend	trans	-103.2	65.9	177.6	-166.1	0	0	0	0	110.3	D107 M108 G112	D107-V110 PolarHBondContact O-N 3.48Å; M108-V110 VanDerWaalsContact C-N 3.29Å; M108-V110 PolarHBondContact O-N 3.37Å; V110-G112 PolarHBondContact O-N 3.14Å
111	G	38.4	Very low	52.9	Low	80 Å²	80	93.2 Å²	93.2	83%	0.825	49%	0.494	S	S	*	.	S	Bend	trans	73.7	11.9	155.9	0	0	0	0	0	119.6
112	G	41.4	Very low	51.5	Low	29 Å²	29	99.3 Å²	99.3	30%	0.299	52%	0.521	S	S	.	.			trans	-100.5	65.5	-173.3	0	0	0	0	0	116.9	V110 R114 L115 A116	V110-G112 PolarHBondContact O-N 3.14Å; G112-R114 PolarHBondContact O-N 3.39Å; G112-R114 VanDerWaalsContact O-N 3.12Å; G112-L115 PolarHBondContact O-N 2.84Å; G112-L115 VanDerWaalsContact O-N 3.09Å; G112-A116 PolarHBondContact O-N 3.28Å
113	T	49.1	Very low	50	Low	116 Å²	116	95.7 Å²	95.7	71%	0.712	51%	0.507	S	S	*	.	H	α-helix	trans	-61	-21.4	176.8	53.5	0	0	0	0	114.3	K117	T113-K117 PolarHBondContact O-N 2.71Å
114	R	45.7	Very low	48.5	Very low	222 Å²	222	98.3 Å²	98.3	84%	0.838	52%	0.523	S	S	*	.	H	α-helix	trans	-73.1	-39.8	173.2	-78	-175	-178.7	-175.6	0.8	112.9	G112 K117 S118	G112-R114 PolarHBondContact O-N 3.39Å; G112-R114 VanDerWaalsContact O-N 3.12Å; R114-K117 PolarHBondContact O-N 3.02Å; R114-S118 PolarHBondContact O-N 3.13Å
115	L	46.7	Very low	47.2	Very low	119 Å²	119	100.7 Å²	100.7	62%	0.623	54%	0.542	S	S	*	.	H	α-helix	trans	-66.9	-41.2	178.3	-89.5	153.1	0	0	0	110.9	G112 K117 S118 A119	G112-L115 PolarHBondContact O-N 2.84Å; G112-L115 VanDerWaalsContact O-N 3.09Å; L115-K117 PolarHBondContact O-N 2.81Å; L115-S118 PolarHBondContact O-N 3.41Å; L115-A119 WeakPolarHBondContact O-CB 3.24Å; L115-A119 PolarHBondContact O-N 3.06Å
116	A	43.6	Very low	45.8	Very low	36 Å²	36	103.1 Å²	103.1	30%	0.298	56%	0.558	S	S	.	*	H	α-helix	trans	-61.3	-41.9	175.4	0	0	0	0	0	112.5	M108 G112 F120	M108-A116 HydrophobicContact CE-CB 4.21Å; G112-A116 PolarHBondContact O-N 3.28Å; A116-F120 WeakPolarHBondContact O-CB 3.43Å; A116-F120 PolarHBondContact O-N 2.83Å
117	K	44.4	Very low	44.4	Very low	162 Å²	162	105.1 Å²	105.1	70%	0.704	57%	0.567	S	S	*	*	H	α-helix	trans	-67.5	-38	175.9	-78.1	-175.5	177.5	-177.9	0	112.8	T113 R114 L115 R121	T113-K117 PolarHBondContact O-N 2.71Å; R114-K117 PolarHBondContact O-N 3.02Å; L115-K117 PolarHBondContact O-N 2.81Å; K117-R121 PolarHBondContact O-N 2.95Å
118	S	46	Very low	43.8	Very low	82 Å²	82	102.6 Å²	102.6	57%	0.573	55%	0.552	S	S	*	*	H	α-helix	trans	-70.3	-44	177.8	-148.3	0	0	0	0	111.1	R114 L115 R121 F122	R114-S118 PolarHBondContact O-N 3.13Å; L115-S118 PolarHBondContact O-N 3.41Å; S118-R121 PolarHBondContact O-N 3.03Å; S118-F122 VanDerWaalsContact O-CB 3.32Å; S118-F122 WeakPolarHBondContact O-CB 3.48Å; S118-F122 PolarHBondContact O-N 3.28Å
119	A	42.3	Very low	43.7	Very low	42 Å²	42	103 Å²	103	35%	0.347	56%	0.561	S	S	.	*	H	α-helix	trans	-63.7	-39.3	173.8	0	0	0	0	0	111.6	L115 F122 L123	L115-A119 WeakPolarHBondContact O-CB 3.24Å; L115-A119 PolarHBondContact O-N 3.06Å; A119-F122 CarbonylContact O-C 3.6Å; A119-F122 PolarHBondContact O-N 3Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 WeakPolarHBondContact O-CD1 3.37Å; A119-L123 WeakPolarHBondContact O-CG 3.45Å; A119-L123 PolarHBondContact O-N 3.24Å
120	F	42.2	Very low	44.5	Very low	142 Å²	142	104.8 Å²	104.8	62%	0.623	57%	0.567	S	S	*	*	H	α-helix	trans	-70.4	-35.9	177.5	-147.8	-90.5	0	0	0	112.5	A116 F122 S124	A116-F120 WeakPolarHBondContact O-CB 3.43Å; A116-F120 PolarHBondContact O-N 2.83Å; F120-F122 VanDerWaalsContact C-N 3.34Å; F120-S124 WeakPolarHBondContact O-CB 3.4Å; F120-S124 PolarHBondContact O-N 2.87Å
121	R	41.3	Very low	46.3	Very low	212 Å²	212	99.4 Å²	99.4	80%	0.8	53%	0.534	S	S	*	.	H	α-helix	trans	-64.9	-39	169.6	-83.5	-176.7	-179.3	175.6	-1.5	112	K117 S118 C125	K117-R121 PolarHBondContact O-N 2.95Å; S118-R121 PolarHBondContact O-N 3.03Å; R121-C125 PolarHBondContact O-N 3.02Å
122	F	40.7	Very low	49.1	Very low	128 Å²	128	97.6 Å²	97.6	56%	0.561	51%	0.505	S	S	*	.	H	α-helix	trans	-69.2	-44	177.1	-153.1	-94.8	0	0	0	111.4	F70 S118 A119 F120 C125 C126	F70-F122 HydrophobicContact CE2-CE1 4.36Å; F70-F122 HydrophobicContact CZ-CD1 4.37Å; F70-F122 HydrophobicContact CZ-CE1 4.19Å; S118-F122 VanDerWaalsContact O-CB 3.32Å; S118-F122 WeakPolarHBondContact O-CB 3.48Å; S118-F122 PolarHBondContact O-N 3.28Å; A119-F122 CarbonylContact O-C 3.6Å; A119-F122 PolarHBondContact O-N 3Å; F120-F122 VanDerWaalsContact C-N 3.34Å; F122-C125 CarbonylContact O-C 3.58Å; F122-C125 WeakPolarHBondContact O-CA 3.26Å; F122-C125 VanDerWaalsContact O-CB 3.23Å; F122-C125 WeakPolarHBondContact O-CB 3.29Å; F122-C125 PolarHBondContact O-N 2.96Å; F122-C126 PolarHBondContact O-N 2.91Å; F122-C126 VanDerWaalsContact O-N 3.14Å; F122-C126 PolarHBondContact O-SG 2.9Å
123	L	38.9	Very low	51.9	Low	53 Å²	53	96.2 Å²	96.2	28%	0.277	49%	0.491	S	S	.	.	H	α-helix	trans	-69.7	-32.9	178.3	-72.3	165.7	0	0	0	112.9	L65 A119 C125 C126 K127	L65-L123 HydrophobicContact CD1-CD2 3.5Å; L65-L123 HydrophobicContact CD2-CD2 3.93Å; L65-L123 HydrophobicContact CG-CD2 4.38Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 WeakPolarHBondContact O-CD1 3.37Å; A119-L123 WeakPolarHBondContact O-CG 3.45Å; A119-L123 PolarHBondContact O-N 3.24Å; L123-C125 PolarHBondContact O-N 2.81Å; L123-C126 PolarHBondContact O-N 2.92Å; L123-C126 VanDerWaalsContact O-N 3.11Å; L123-K127 PolarHBondContact O-N 3.06Å
124	S	38.2	Very low	54.2	Low	95 Å²	95	90.7 Å²	90.7	66%	0.664	46%	0.457	S	S	*	.	H	α-helix	trans	-66	-20.2	169.6	-173	0	0	0	0	112.5	F120	F120-S124 WeakPolarHBondContact O-CB 3.4Å; F120-S124 PolarHBondContact O-N 2.87Å
125	C	38.6	Very low	56.8	Low	84 Å²	84	80.1 Å²	80.1	57%	0.568	42%	0.417	S	S	*	.	H	α-helix	trans	-89.2	-17.8	173	-151.9	0	0	0	0	112.3	R121 F122 L123	R121-C125 PolarHBondContact O-N 3.02Å; F122-C125 CarbonylContact O-C 3.58Å; F122-C125 WeakPolarHBondContact O-CA 3.26Å; F122-C125 VanDerWaalsContact O-CB 3.23Å; F122-C125 WeakPolarHBondContact O-CB 3.29Å; F122-C125 PolarHBondContact O-N 2.96Å; L123-C125 PolarHBondContact O-N 2.81Å
126	C	38.5	Very low	59.2	Low	56 Å²	56	74.5 Å²	74.5	38%	0.378	39%	0.387	S	S	.	.	H	α-helix	trans	-100.5	-1.3	-172.1	-68.9	0	0	0	0	115.9	F122 L123 M128	F122-C126 PolarHBondContact O-N 2.91Å; F122-C126 VanDerWaalsContact O-N 3.14Å; F122-C126 PolarHBondContact O-SG 2.9Å; L123-C126 PolarHBondContact O-N 2.92Å; L123-C126 VanDerWaalsContact O-N 3.11Å; C126-M128 PolarHBondContact O-N 3.14Å
127	K	37.4	Very low	61.8	Low	184 Å²	184	72.8 Å²	72.8	80%	0.8	37%	0.373	S	S	*	.	S	Bend	trans	-74.2	79.8	147.7	-89.4	-171.5	177.6	-177.8	0	106.2	L123 S129	L123-K127 PolarHBondContact O-N 3.06Å; K127-S129 PolarHBondContact O-N 2.87Å
128	M	48.3	Very low	64.4	Low	57 Å²	57	65.1 Å²	65.1	28%	0.281	34%	0.34	S	S	.	.			trans	-68	69.7	167.3	-77.7	-73.5	-45.2	0	0	107.5	C126 L381	C126-M128 PolarHBondContact O-N 3.14Å; M128-L381 HydrophobicContact CE-CB 4.16Å; M128-L381 HydrophobicContact CE-CD1 3.4Å; M128-L381 HydrophobicContact CE-CG 3.6Å; M128-L381 HydrophobicContact SD-CD1 4.08Å
129	S	52.8	Low	66.9	Low	68 Å²	68	66.1 Å²	66.1	48%	0.476	33%	0.331	S	S	.	.			trans	-53.5	138.8	153.2	59.8	0	0	0	0	106.4	K127 A131 R164	K127-S129 PolarHBondContact O-N 2.87Å; S129-A131 PolarHBondContact O-N 3.49Å; S129-A131 VanDerWaalsContact O-N 3.09Å; S129-R164 PolarHBondContact OG-NH2 3.05Å
130	E	69.7	Low	69.5	Low	121 Å²	121	64.1 Å²	64.1	57%	0.565	32%	0.315	S	S	*	.			trans	-32.5	118.6	169.2	-76.5	-179	-161.6	0	0	111.3	S378 D380	E130-S378 WeakPolarHBondContact OE2-CB 3.34Å; E130-S378 PolarHBondContact OE2-OG 2.88Å; E130-D380 HydrophobicContact CG-CB 4.49Å
131	A	89.2	Confident	72	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113.1	-177	0	0	0	0	0	108.2	S129 I133 V277 I379	S129-A131 PolarHBondContact O-N 3.49Å; S129-A131 VanDerWaalsContact O-N 3.09Å; A131-I133 PolarHBondContact O-N 3.24Å; A131-V277 HydrophobicContact CB-CB 4.09Å; A131-V277 HydrophobicContact CB-CG1 3.75Å; A131-I379 PolarHBondContact N-O 3.34Å; A131-I379 PolarHBondContact O-N 2.89Å
132	L	97.2	Very high	74.5	Confident	42 Å²	42	51.5 Å²	51.5	22%	0.22	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.4	-178.9	-166.3	75.4	0	0	0	110.4	R161 A163 R164 F376	L132-R161 HydrophobicContact CD2-CB 3.84Å; L132-R161 WeakPolarHBondContact CD2-O 3.35Å; L132-A163 CarbonylContact O-C 3.58Å; L132-A163 WeakPolarHBondContact O-CA 3.48Å; L132-R164 PolarHBondContact O-N 3.5Å; L132-F376 HydrophobicContact CD1-CB 4.2Å; L132-F376 HydrophobicContact CD2-CD1 4.02Å; L132-F376 HydrophobicContact CG-CD1 4.36Å
133	I	98.5	Very high	77.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	157.5	170.2	61.4	162	0	0	0	110.8	A131 V135 M165 F167 V277 V336 V356 F376 A377 I379	A131-I133 PolarHBondContact O-N 3.24Å; I133-V135 HydrophobicContact CD1-CG2 4.11Å; I133-M165 WeakPolarHBondContact CA-O 3.49Å; I133-M165 HydrophobicContact CG2-CB 4.28Å; I133-F167 HydrophobicContact CB-CD2 4.45Å; I133-F167 HydrophobicContact CB-CE2 3.95Å; I133-F167 HydrophobicContact CD1-CD2 4.45Å; I133-F167 HydrophobicContact CD1-CE2 4.01Å; I133-F167 HydrophobicContact CG2-CE2 3.97Å; I133-V277 HydrophobicContact CG2-CB 4.1Å; I133-V277 HydrophobicContact CG2-CG1 3.61Å; I133-V277 HydrophobicContact CG2-CG2 4.21Å; I133-V336 HydrophobicContact CD1-CG1 4.13Å; I133-V336 HydrophobicContact CD1-CG2 3.61Å; I133-V356 HydrophobicContact CD1-CG1 4.43Å; I133-V356 HydrophobicContact CD1-CG2 3.91Å; I133-F376 WeakPolarHBondContact O-CA 3.38Å; I133-A377 HydrophobicContact CG1-CB 4.13Å; I133-A377 VanDerWaalsContact CG1-O 3.3Å; I133-A377 WeakPolarHBondContact CG1-O 3.46Å; I133-A377 PolarHBondContact N-O 3.14Å; I133-A377 PolarHBondContact O-N 2.75Å; I133-A377 VanDerWaalsContact O-N 3.14Å; I133-I379 HydrophobicContact CD1-CD1 3.78Å; I133-I379 HydrophobicContact CD1-CG1 4.09Å; I133-I379 HydrophobicContact CG1-CD1 4.18Å; I133-I379 HydrophobicContact CG1-CG1 4.1Å; I133-I379 HydrophobicContact CG2-CG1 3.9Å
134	A	98.6	Very high	79.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.8	173.9	0	0	0	0	0	110.3	A158 A163 M165 V166 F167 I374 C375 F376	A134-A158 HydrophobicContact CB-CB 3.57Å; A134-A163 HydrophobicContact CB-CB 3.84Å; A134-M165 PolarHBondContact N-O 2.67Å; A134-V166 CarbonylContact O-C 3.55Å; A134-V166 WeakPolarHBondContact O-CA 3.27Å; A134-F167 PolarHBondContact O-N 3.26Å; A134-I374 HydrophobicContact CB-CD1 3.48Å; A134-I374 VanDerWaalsContact CB-CD1 3.48Å; A134-I374 HydrophobicContact CB-CG1 3.89Å; A134-C375 WeakPolarHBondContact CA-O 3.44Å; A134-F376 HydrophobicContact CB-CD1 3.83Å; A134-F376 HydrophobicContact CB-CE1 3.65Å; A134-F376 HydrophobicContact CB-CZ 4.46Å
135	V	98.8	Very high	82.6	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.9	-177.6	-175.2	0	0	0	0	108.6	I133 F167 V336 A338 A354 V356 C367 I374 C375	I133-V135 HydrophobicContact CD1-CG2 4.11Å; V135-F167 HydrophobicContact CG2-CD2 4.42Å; V135-V336 HydrophobicContact CG1-CG1 4.45Å; V135-V336 HydrophobicContact CG2-CG1 3.61Å; V135-A338 HydrophobicContact CG1-CB 3.89Å; V135-A354 HydrophobicContact CG1-CB 4.24Å; V135-V356 HydrophobicContact CG2-CG2 3.47Å; V135-V356 VanDerWaalsContact CG2-CG2 3.47Å; V135-C367 PolarHBondContact O-SG 3.09Å; V135-I374 WeakPolarHBondContact O-CA 3.35Å; V135-C375 PolarHBondContact N-O 2.99Å; V135-C375 PolarHBondContact O-N 3.19Å
136	C	98.6	Very high	85.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	141.5	-175.1	-61.5	0	0	0	0	111.2	L154 V166 F167 F168 A338 A339	C136-L154 HydrophobicContact CB-CD1 3.98Å; C136-V166 VanDerWaalsContact SG-CG1 3.51Å; C136-F167 VanDerWaalsContact CB-O 3.23Å; C136-F167 WeakPolarHBondContact CB-O 3.35Å; C136-F167 PolarHBondContact N-O 3.25Å; C136-F168 HydrophobicContact CB-CD1 3.82Å; C136-F168 HydrophobicContact CB-CE1 3.86Å; C136-A338 WeakPolarHBondContact O-CB 3.23Å; C136-A339 PolarHBondContact O-N 2.78Å
137	Q	98.6	Very high	88.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.4	165	177.6	159.4	-76	0	0	109	A339 F341 A354 C367 S368 N369 P372 S373	Q137-A339 VanDerWaalsContact CA-O 3.3Å; Q137-A339 WeakPolarHBondContact CA-O 3.42Å; Q137-A339 WeakPolarHBondContact CG-O 3.14Å; Q137-F341 HydrophobicContact CG-CB 3.86Å; Q137-F341 HydrophobicContact CG-CD1 3.48Å; Q137-F341 VanDerWaalsContact CG-CD1 3.48Å; Q137-F341 HydrophobicContact CG-CE1 4.34Å; Q137-F341 HydrophobicContact CG-CG 3.84Å; Q137-A354 HydrophobicContact CB-CB 3.83Å; Q137-A354 HydrophobicContact CG-CB 4.45Å; Q137-C367 HydrophobicContact CB-CB 3.76Å; Q137-C367 HydrophobicContact CG-CB 4.43Å; Q137-S368 PolarHBondContact NE2-O 3.41Å; Q137-N369 PolarHBondContact NE2-OD1 3.11Å; Q137-N369 PolarHBondContact OE1-OD1 3.47Å; Q137-P372 CarbonylContact O-C 3.59Å; Q137-P372 WeakPolarHBondContact O-CA 3.46Å; Q137-S373 PolarHBondContact N-O 2.72Å; Q137-S373 PolarHBondContact O-N 2.91Å; Q137-S373 VanDerWaalsContact O-O 3.12Å
138	M	98.1	Very high	91.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	170.2	-178.9	64.9	-174.1	-64.5	0	0	111.3	S140 N147 T150 C151 L154 F168 P169 F172 A339 Q340 F341	M138-S140 VanDerWaalsContact CE-OG 3.27Å; M138-S140 WeakPolarHBondContact CE-OG 3.43Å; M138-N147 HydrophobicContact CE-CB 4.32Å; M138-T150 HydrophobicContact CB-CG2 4.07Å; M138-T150 HydrophobicContact CE-CG2 4.19Å; M138-C151 VanDerWaalsContact CE-SG 3.55Å; M138-C151 VanDerWaalsContact SD-SG 3.63Å; M138-L154 HydrophobicContact CB-CD1 4.38Å; M138-F168 HydrophobicContact SD-CD1 4.04Å; M138-P169 HydrophobicContact CG-CG 3.6Å; M138-P169 HydrophobicContact SD-CG 4.02Å; M138-F172 HydrophobicContact SD-CB 3.94Å; M138-A339 PolarHBondContact N-O 3.11Å; M138-Q340 CarbonylContact O-C 3.54Å; M138-Q340 WeakPolarHBondContact O-CA 3.31Å; M138-Q340 PolarHBondContact O-OE1 2.89Å; M138-F341 VanDerWaalsContact C-CD1 3.49Å; M138-F341 VanDerWaalsContact O-CD1 3.28Å; M138-F341 WeakPolarHBondContact O-CD1 3.06Å; M138-F341 PolarHBondContact O-N 2.94Å
139	R	97.5	Very high	93.5	Very high	104 Å²	104	42.3 Å²	42.3	39%	0.392	21%	0.207	S	C	.	.			trans	-124.2	85.5	176.1	-176.1	179.8	82.7	-165.4	2.1	107.9	E141 F341 K343	R139-E141 IonicContact CZ-OE1 3.95Å; R139-E141 IonicContact NE-OE1 2.79Å; R139-E141 IonicContact NH2-OE1 3.55Å; R139-E141 PolarHBondContact NH2-OE1 3.26Å; R139-F341 HydrophobicContact CB-CD1 4.12Å; R139-F341 HydrophobicContact CB-CE1 3.76Å; R139-F341 HydrophobicContact CB-CZ 4.29Å; R139-F341 VanDerWaalsContact CB-O 3.27Å; R139-F341 WeakPolarHBondContact CB-O 3.35Å; R139-F341 WeakPolarHBondContact CD-O 3.15Å; R139-F341 WeakPolarHBondContact CG-O 3.45Å; R139-K343 VanDerWaalsContact CD-O 3.26Å; R139-K343 WeakPolarHBondContact CD-O 3.23Å
140	S	97.3	Very high	95.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.			trans	-66.3	140.5	177.5	-63.2	0	0	0	0	110.3	M138 N147 C171 F172 M175 Q340 H344	M138-S140 VanDerWaalsContact CE-OG 3.27Å; M138-S140 WeakPolarHBondContact CE-OG 3.43Å; S140-N147 VanDerWaalsContact CA-OD1 3.28Å; S140-N147 WeakPolarHBondContact CA-OD1 3.48Å; S140-C171 WeakPolarHBondContact CB-O 3.32Å; S140-C171 PolarHBondContact OG-O 3.3Å; S140-F172 WeakPolarHBondContact OG-CA 3.3Å; S140-F172 PolarHBondContact OG-O 3.3Å; S140-M175 WeakPolarHBondContact O-CB 3.33Å; S140-M175 WeakPolarHBondContact O-CG 3.42Å; S140-Q340 PolarHBondContact OG-NE2 3.07Å; S140-H344 PolarHBondContact O-ND1 3.41Å
141	E	95.2	Very high	97	Very high	41 Å²	41	35 Å²	35	19%	0.192	17%	0.168	C	C	.	.			trans	-116.7	-171.3	174.6	-66.6	171.8	-166.3	0	0	108.6	R139 D143 K146 N147 Y174 M175	R139-E141 IonicContact CZ-OE1 3.95Å; R139-E141 IonicContact NE-OE1 2.79Å; R139-E141 IonicContact NH2-OE1 3.55Å; R139-E141 PolarHBondContact NH2-OE1 3.26Å; E141-D143 VanDerWaalsContact C-N 3.25Å; E141-D143 PolarHBondContact O-N 3.04Å; E141-K146 IonicContact OE1-NZ 2.77Å; E141-K146 PolarHBondContact OE1-NZ 2.87Å; E141-K146 IonicContact OE2-NZ 3.82Å; E141-K146 PolarHBondContact OE2-NZ 2.92Å; E141-N147 PolarHBondContact N-OD1 3.26Å; E141-N147 PolarHBondContact O-ND2 3.47Å; E141-Y174 WeakPolarHBondContact O-CA 3.39Å; E141-Y174 WeakPolarHBondContact O-CB 3.33Å; E141-M175 PolarHBondContact O-N 2.98Å
142	S	94.6	Very high	97.4	Very high	47 Å²	47	37.7 Å²	37.7	33%	0.329	18%	0.18	S	C	.	.	S	Bend	trans	-70	-23.2	176.8	49.6	0	0	0	0	113.3	K144 M175 E181	S142-K144 PolarHBondContact O-N 3.13Å; S142-M175 WeakPolarHBondContact CA-O 3.33Å; S142-E181 WeakPolarHBondContact CB-OE1 3.3Å
143	D	94.9	Very high	97.5	Very high	80 Å²	80	41.7 Å²	41.7	43%	0.428	19%	0.193	S	C	.	.			trans	-77.7	101.9	-179.4	-172.7	-17.9	0	0	0	111.8	E141 E145 K146 N147	E141-D143 VanDerWaalsContact C-N 3.25Å; E141-D143 PolarHBondContact O-N 3.04Å; D143-E145 VanDerWaalsContact C-N 3.28Å; D143-E145 PolarHBondContact O-N 3.28Å; D143-E145 PolarHBondContact OD1-N 2.91Å; D143-K146 HydrophobicContact CB-CB 3.98Å; D143-K146 PolarHBondContact O-N 2.96Å; D143-K146 PolarHBondContact OD1-N 3.35Å; D143-N147 PolarHBondContact O-N 3.45Å; D143-N147 VanDerWaalsContact O-N 3.07Å; D143-N147 PolarHBondContact O-ND2 3.44Å; D143-N147 VanDerWaalsContact O-ND2 3.1Å; D143-N147 PolarHBondContact O-OD1 2.92Å
144	K	95.7	Very high	97.4	Very high	54 Å²	54	41.7 Å²	41.7	24%	0.235	19%	0.193	C	C	.	.	H	α-helix	trans	-58.6	-35.5	178.5	-73.3	-170.9	-70.3	-170.9	0	113.3	S142 N147 W148 Y174 N185 L187 F193	S142-K144 PolarHBondContact O-N 3.13Å; K144-N147 PolarHBondContact O-N 2.79Å; K144-W148 WeakPolarHBondContact O-CB 3.42Å; K144-W148 PolarHBondContact O-N 3.49Å; K144-Y174 HydrophobicContact CD-CD1 3.98Å; K144-Y174 HydrophobicContact CG-CD1 4.02Å; K144-Y174 HydrophobicContact CG-CG 4.34Å; K144-N185 PolarHBondContact NZ-O 3.4Å; K144-L187 HydrophobicContact CD-CD2 4.17Å; K144-F193 HydrophobicContact CB-CD2 4.33Å; K144-F193 HydrophobicContact CB-CE2 3.81Å; K144-F193 HydrophobicContact CG-CE2 4.46Å; K144-F193 WeakPolarHBondContact O-CE2 3.21Å
145	E	97.3	Very high	97.4	Very high	91 Å²	91	41.7 Å²	41.7	43%	0.425	19%	0.193	S	C	.	.	H	α-helix	trans	-73.1	-43.4	-177.4	-67.3	-54	118.5	0	0	111	D143 N147 W148 E149 R196	D143-E145 VanDerWaalsContact C-N 3.28Å; D143-E145 PolarHBondContact O-N 3.28Å; D143-E145 PolarHBondContact OD1-N 2.91Å; E145-N147 VanDerWaalsContact C-N 3.29Å; E145-N147 PolarHBondContact O-N 2.87Å; E145-W148 WeakPolarHBondContact O-CB 3.28Å; E145-W148 PolarHBondContact O-N 2.92Å; E145-W148 VanDerWaalsContact O-N 3.13Å; E145-E149 WeakPolarHBondContact O-CG 3.49Å; E145-E149 PolarHBondContact O-N 3.1Å; E145-R196 VanDerWaalsContact CD-NH1 3.34Å; E145-R196 IonicContact OE1-CZ 2.85Å; E145-R196 IonicContact OE1-NH1 3.91Å; E145-R196 PolarHBondContact OE1-NH1 3.38Å; E145-R196 IonicContact OE1-NH2 2.85Å; E145-R196 PolarHBondContact OE1-NH2 3.39Å; E145-R196 IonicContact OE2-CZ 3.85Å; E145-R196 IonicContact OE2-NH1 3.04Å; E145-R196 PolarHBondContact OE2-NH1 2.96Å; E145-R196 IonicContact OE2-NH2 3.95Å
146	K	97.1	Very high	97.3	Very high	89 Å²	89	45.8 Å²	45.8	39%	0.387	21%	0.209	S	C	.	.	H	α-helix	trans	-60.5	-39.1	172.9	-174.7	-179	176.2	-173	0	112.5	E141 D143 T150	E141-K146 IonicContact OE1-NZ 2.77Å; E141-K146 PolarHBondContact OE1-NZ 2.87Å; E141-K146 IonicContact OE2-NZ 3.82Å; E141-K146 PolarHBondContact OE2-NZ 2.92Å; D143-K146 HydrophobicContact CB-CB 3.98Å; D143-K146 PolarHBondContact O-N 2.96Å; D143-K146 PolarHBondContact OD1-N 3.35Å; K146-T150 PolarHBondContact O-N 3.34Å; K146-T150 PolarHBondContact O-OG1 3.31Å
147	N	97.7	Very high	97.2	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.011	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-42.2	175	-62.4	-25.6	0	0	0	111.3	M138 S140 E141 D143 K144 E145 T150 C151 D173 Y174	M138-N147 HydrophobicContact CE-CB 4.32Å; S140-N147 VanDerWaalsContact CA-OD1 3.28Å; S140-N147 WeakPolarHBondContact CA-OD1 3.48Å; E141-N147 PolarHBondContact N-OD1 3.26Å; E141-N147 PolarHBondContact O-ND2 3.47Å; D143-N147 PolarHBondContact O-N 3.45Å; D143-N147 VanDerWaalsContact O-N 3.07Å; D143-N147 PolarHBondContact O-ND2 3.44Å; D143-N147 VanDerWaalsContact O-ND2 3.1Å; D143-N147 PolarHBondContact O-OD1 2.92Å; K144-N147 PolarHBondContact O-N 2.79Å; E145-N147 VanDerWaalsContact C-N 3.29Å; E145-N147 PolarHBondContact O-N 2.87Å; N147-T150 WeakPolarHBondContact O-CB 3.33Å; N147-T150 PolarHBondContact O-N 3.07Å; N147-C151 PolarHBondContact O-N 3.44Å; N147-C151 PolarHBondContact O-SG 3.37Å; N147-C151 VanDerWaalsContact O-SG 3.41Å; N147-D173 PolarHBondContact ND2-O 3.05Å; N147-Y174 WeakPolarHBondContact ND2-CA 3.48Å
148	W	98.2	Very high	97.1	Very high	23 Å²	23	50.1 Å²	50.1	9%	0.087	23%	0.225	C	C	.	.	H	α-helix	trans	-58.6	-47.7	174.1	166.2	-100.4	0	0	0	112.1	K144 E145 T150 C151 E152 F193 R196 F197 L200	K144-W148 WeakPolarHBondContact O-CB 3.42Å; K144-W148 PolarHBondContact O-N 3.49Å; E145-W148 WeakPolarHBondContact O-CB 3.28Å; E145-W148 PolarHBondContact O-N 2.92Å; E145-W148 VanDerWaalsContact O-N 3.13Å; W148-T150 PolarHBondContact O-N 3.25Å; W148-C151 WeakPolarHBondContact O-CB 3.29Å; W148-C151 PolarHBondContact O-N 3.2Å; W148-E152 HydrophobicContact CZ2-CB 4.09Å; W148-E152 PolarHBondContact NE1-OE2 3.48Å; W148-E152 PolarHBondContact O-N 3.23Å; W148-F193 HydrophobicContact CB-CE2 4.05Å; W148-F193 HydrophobicContact CB-CZ 4.24Å; W148-R196 HydrophobicContact CD2-CB 4.28Å; W148-R196 HydrophobicContact CE3-CB 4.03Å; W148-R196 HydrophobicContact CH2-CB 3.38Å; W148-R196 HydrophobicContact CZ2-CB 3.64Å; W148-R196 HydrophobicContact CZ2-CG 4.42Å; W148-R196 HydrophobicContact CZ3-CB 3.58Å; W148-F197 HydrophobicContact CE3-CD2 4.01Å; W148-F197 HydrophobicContact CE3-CE1 4.42Å; W148-F197 AromaticContact CE3-CE2 3.53Å; W148-F197 HydrophobicContact CE3-CE2 3.53Å; W148-F197 AromaticContact CE3-CZ 3.79Å; W148-F197 HydrophobicContact CE3-CZ 3.79Å; W148-F197 AromaticContact CZ3-CD1 3.96Å; W148-F197 HydrophobicContact CZ3-CD1 3.96Å; W148-F197 AromaticContact CZ3-CD2 3.58Å; W148-F197 HydrophobicContact CZ3-CD2 3.58Å; W148-F197 AromaticContact CZ3-CE1 3.97Å; W148-F197 HydrophobicContact CZ3-CE1 3.97Å; W148-F197 AromaticContact CZ3-CE2 3.53Å; W148-F197 HydrophobicContact CZ3-CE2 3.53Å; W148-F197 AromaticContact CZ3-CG 3.79Å; W148-F197 HydrophobicContact CZ3-CG 3.79Å; W148-F197 AromaticContact CZ3-CZ 3.76Å; W148-F197 HydrophobicContact CZ3-CZ 3.76Å; W148-L200 HydrophobicContact CH2-CB 4.35Å; W148-L200 HydrophobicContact CH2-CD2 4Å; W148-L200 HydrophobicContact CZ2-CD2 4.43Å
149	E	98.1	Very high	96.9	Very high	126 Å²	126	53.4 Å²	53.4	59%	0.589	24%	0.24	S	C	*	.	H	α-helix	trans	-55.7	-41.6	177	-71.7	173.7	178	0	0	111.8	E145 Y153	E145-E149 WeakPolarHBondContact O-CG 3.49Å; E145-E149 PolarHBondContact O-N 3.1Å; E149-Y153 WeakPolarHBondContact O-CB 3.26Å; E149-Y153 PolarHBondContact O-N 2.93Å
150	T	97.8	Very high	96.7	Very high	36 Å²	36	55 Å²	55	22%	0.221	26%	0.256	C	S	.	.	H	α-helix	trans	-65.5	-45.1	175.7	-57.7	0	0	0	0	111.3	M138 K146 N147 W148 Y153 L154 P372	M138-T150 HydrophobicContact CB-CG2 4.07Å; M138-T150 HydrophobicContact CE-CG2 4.19Å; K146-T150 PolarHBondContact O-N 3.34Å; K146-T150 PolarHBondContact O-OG1 3.31Å; N147-T150 WeakPolarHBondContact O-CB 3.33Å; N147-T150 PolarHBondContact O-N 3.07Å; W148-T150 PolarHBondContact O-N 3.25Å; T150-Y153 PolarHBondContact O-N 2.83Å; T150-L154 HydrophobicContact CG2-CD1 3.99Å; T150-L154 HydrophobicContact CG2-CG 4.5Å; T150-L154 VanDerWaalsContact O-CG 3.24Å; T150-L154 WeakPolarHBondContact O-CG 3.39Å; T150-L154 PolarHBondContact O-N 3.42Å; T150-P372 HydrophobicContact CG2-CB 4.09Å
151	C	98.4	Very high	96.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-47	176.7	-73.3	0	0	0	0	112.2	M138 N147 W148 Y153 L154 M155 F168 F197	M138-C151 VanDerWaalsContact CE-SG 3.55Å; M138-C151 VanDerWaalsContact SD-SG 3.63Å; N147-C151 PolarHBondContact O-N 3.44Å; N147-C151 PolarHBondContact O-SG 3.37Å; N147-C151 VanDerWaalsContact O-SG 3.41Å; W148-C151 WeakPolarHBondContact O-CB 3.29Å; W148-C151 PolarHBondContact O-N 3.2Å; C151-Y153 PolarHBondContact O-N 2.89Å; C151-L154 PolarHBondContact O-N 2.92Å; C151-M155 WeakPolarHBondContact O-CG 3.23Å; C151-M155 PolarHBondContact O-N 3.16Å; C151-F168 HydrophobicContact CB-CD1 4.49Å; C151-F168 HydrophobicContact CB-CE1 3.86Å; C151-F168 HydrophobicContact CB-CZ 3.99Å; C151-F168 WeakPolarHBondContact O-CZ 3.32Å; C151-F197 HydrophobicContact CB-CE1 3.73Å; C151-F197 HydrophobicContact CB-CZ 3.59Å
152	E	98.3	Very high	96.5	Very high	55 Å²	55	64 Å²	64	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-58.9	-48.4	177.8	175	170	-167.3	0	0	111.1	W148 L154 M155 R156 L200	W148-E152 HydrophobicContact CZ2-CB 4.09Å; W148-E152 PolarHBondContact NE1-OE2 3.48Å; W148-E152 PolarHBondContact O-N 3.23Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 2.85Å; E152-M155 PolarHBondContact O-N 2.98Å; E152-R156 WeakPolarHBondContact O-CG 3.28Å; E152-R156 PolarHBondContact O-N 2.97Å; E152-R156 IonicContact OE1-CZ 3.18Å; E152-R156 IonicContact OE1-NE 3.85Å; E152-R156 PolarHBondContact OE1-NE 3.32Å; E152-R156 IonicContact OE1-NH2 3.32Å; E152-R156 PolarHBondContact OE1-NH2 2.85Å; E152-L200 HydrophobicContact CB-CD2 4.13Å; E152-L200 HydrophobicContact CG-CD2 3.89Å
153	Y	97.7	Very high	96.6	Very high	127 Å²	127	61.9 Å²	61.9	50%	0.498	29%	0.289	S	S	.	.	H	α-helix	trans	-55.6	-46.6	176	169.8	-111.4	0	0	0	112	E149 T150 C151 R156 R157	E149-Y153 WeakPolarHBondContact O-CB 3.26Å; E149-Y153 PolarHBondContact O-N 2.93Å; T150-Y153 PolarHBondContact O-N 2.83Å; C151-Y153 PolarHBondContact O-N 2.89Å; Y153-R156 PolarHBondContact O-N 3.33Å; Y153-R157 HydrophobicContact CD2-CG 4.43Å; Y153-R157 HydrophobicContact CE2-CG 4.06Å; Y153-R157 WeakPolarHBondContact O-CG 3.47Å; Y153-R157 PolarHBondContact O-N 3.28Å; Y153-R157 WeakPolarHBondContact OH-CD 3.38Å
154	L	97.6	Very high	96.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.3	-36.7	-179.7	-66.1	172.7	0	0	0	112.6	C136 M138 T150 C151 E152 R157 A158 F168 I374	C136-L154 HydrophobicContact CB-CD1 3.98Å; M138-L154 HydrophobicContact CB-CD1 4.38Å; T150-L154 HydrophobicContact CG2-CD1 3.99Å; T150-L154 HydrophobicContact CG2-CG 4.5Å; T150-L154 VanDerWaalsContact O-CG 3.24Å; T150-L154 WeakPolarHBondContact O-CG 3.39Å; T150-L154 PolarHBondContact O-N 3.42Å; C151-L154 PolarHBondContact O-N 2.92Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 2.85Å; L154-R157 PolarHBondContact O-N 2.81Å; L154-A158 PolarHBondContact O-N 3.47Å; L154-F168 HydrophobicContact CB-CE1 4.16Å; L154-F168 HydrophobicContact CB-CZ 4.29Å; L154-F168 HydrophobicContact CD1-CE1 4.23Å; L154-I374 HydrophobicContact CD2-CB 4.19Å
155	M	97.9	Very high	96.8	Very high	0 Å²	0	60 Å²	60	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-43.7	173.4	-73.2	-174.3	61.8	0	0	111.7	C151 E152 A158 Q159 V166 F168 F197 L200 L204 V206 V208	C151-M155 WeakPolarHBondContact O-CG 3.23Å; C151-M155 PolarHBondContact O-N 3.16Å; E152-M155 PolarHBondContact O-N 2.98Å; M155-A158 WeakPolarHBondContact O-CB 3.35Å; M155-A158 PolarHBondContact O-N 2.83Å; M155-Q159 PolarHBondContact O-N 2.84Å; M155-Q159 VanDerWaalsContact O-N 3.11Å; M155-V166 HydrophobicContact CG-CG1 4.47Å; M155-F168 HydrophobicContact CG-CE2 3.51Å; M155-F168 HydrophobicContact CG-CZ 3.56Å; M155-F168 HydrophobicContact SD-CE2 3.93Å; M155-F168 HydrophobicContact SD-CZ 4.39Å; M155-F197 HydrophobicContact SD-CD1 3.82Å; M155-F197 HydrophobicContact SD-CE1 4.17Å; M155-L200 HydrophobicContact CB-CD2 3.96Å; M155-L200 HydrophobicContact CE-CB 4.09Å; M155-L200 HydrophobicContact CE-CD2 3.97Å; M155-L200 HydrophobicContact CE-CG 3.79Å; M155-L200 HydrophobicContact CG-CD2 4.34Å; M155-L200 HydrophobicContact SD-CD2 3.67Å; M155-L200 HydrophobicContact SD-CG 4.17Å; M155-L204 HydrophobicContact CB-CD1 3.95Å; M155-L204 HydrophobicContact CE-CD1 4.41Å; M155-V206 HydrophobicContact CE-CG1 4.07Å; M155-V208 HydrophobicContact CE-CG2 3.49Å; M155-V208 VanDerWaalsContact CE-CG2 3.49Å; M155-V208 HydrophobicContact SD-CG2 4.36Å
156	R	97.6	Very high	96.9	Very high	86 Å²	86	55.7 Å²	55.7	33%	0.325	25%	0.254	S	S	.	.	H	α-helix	trans	-64.4	-40.4	177.7	-67.8	-177.3	-174.4	-69.2	-1.4	111.6	E152 Y153 A158 Q159 D160 E203 L204	E152-R156 WeakPolarHBondContact O-CG 3.28Å; E152-R156 PolarHBondContact O-N 2.97Å; E152-R156 IonicContact OE1-CZ 3.18Å; E152-R156 IonicContact OE1-NE 3.85Å; E152-R156 PolarHBondContact OE1-NE 3.32Å; E152-R156 IonicContact OE1-NH2 3.32Å; E152-R156 PolarHBondContact OE1-NH2 2.85Å; Y153-R156 PolarHBondContact O-N 3.33Å; R156-A158 VanDerWaalsContact C-N 3.3Å; R156-A158 PolarHBondContact O-N 2.79Å; R156-Q159 VanDerWaalsContact O-CB 3.31Å; R156-Q159 WeakPolarHBondContact O-CB 3.33Å; R156-Q159 PolarHBondContact O-N 2.9Å; R156-Q159 VanDerWaalsContact O-N 3.11Å; R156-D160 PolarHBondContact O-N 2.88Å; R156-D160 VanDerWaalsContact O-N 3.14Å; R156-E203 IonicContact CZ-OE1 2.82Å; R156-E203 IonicContact NH1-OE1 3.53Å; R156-E203 PolarHBondContact NH1-OE1 3.39Å; R156-E203 IonicContact NH2-OE1 3.13Å; R156-E203 PolarHBondContact NH2-OE1 2.83Å; R156-E203 IonicContact NH2-OE2 3.42Å; R156-L204 HydrophobicContact CG-CD1 4.31Å
157	R	96.2	Very high	96.9	Very high	91 Å²	91	51.6 Å²	51.6	34%	0.343	24%	0.236	S	C	.	.	H	α-helix	trans	-63.4	-33.7	172.5	-73.3	-169.3	70.7	-179.3	7.4	113.9	Y153 L154 Q159 D160	Y153-R157 HydrophobicContact CD2-CG 4.43Å; Y153-R157 HydrophobicContact CE2-CG 4.06Å; Y153-R157 WeakPolarHBondContact O-CG 3.47Å; Y153-R157 PolarHBondContact O-N 3.28Å; Y153-R157 WeakPolarHBondContact OH-CD 3.38Å; L154-R157 PolarHBondContact O-N 2.81Å; R157-Q159 VanDerWaalsContact C-N 3.28Å; R157-D160 PolarHBondContact O-N 2.86Å
158	A	96.3	Very high	97	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-38.4	174.3	0	0	0	0	0	111.1	A134 L154 M155 R156 R161 A162 A163 V166 I374	A134-A158 HydrophobicContact CB-CB 3.57Å; L154-A158 PolarHBondContact O-N 3.47Å; M155-A158 WeakPolarHBondContact O-CB 3.35Å; M155-A158 PolarHBondContact O-N 2.83Å; R156-A158 VanDerWaalsContact C-N 3.3Å; R156-A158 PolarHBondContact O-N 2.79Å; A158-R161 PolarHBondContact O-N 3Å; A158-A162 PolarHBondContact O-N 3.48Å; A158-A163 HydrophobicContact CB-CB 4.11Å; A158-A163 WeakPolarHBondContact O-CB 3.37Å; A158-A163 PolarHBondContact O-N 3.38Å; A158-A163 VanDerWaalsContact O-N 3.11Å; A158-V166 HydrophobicContact CB-CG1 4.4Å; A158-V166 HydrophobicContact CB-CG2 3.42Å; A158-V166 VanDerWaalsContact CB-CG2 3.42Å; A158-I374 HydrophobicContact CB-CD1 3.86Å
159	Q	93.7	Very high	97	Very high	70 Å²	70	50.4 Å²	50.4	33%	0.327	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-36.3	176.3	-169.8	62.7	15.9	0	0	112.9	M155 R156 R157 R161 A162 L204	M155-Q159 PolarHBondContact O-N 2.84Å; M155-Q159 VanDerWaalsContact O-N 3.11Å; R156-Q159 VanDerWaalsContact O-CB 3.31Å; R156-Q159 WeakPolarHBondContact O-CB 3.33Å; R156-Q159 PolarHBondContact O-N 2.9Å; R156-Q159 VanDerWaalsContact O-N 3.11Å; R157-Q159 VanDerWaalsContact C-N 3.28Å; Q159-R161 PolarHBondContact O-N 3.18Å; Q159-A162 PolarHBondContact O-N 3.33Å; Q159-L204 HydrophobicContact CB-CD1 4.43Å; Q159-L204 HydrophobicContact CB-CD2 4.35Å; Q159-L204 HydrophobicContact CG-CB 4.36Å; Q159-L204 HydrophobicContact CG-CD2 4.19Å; Q159-L204 PolarHBondContact NE2-O 2.85Å; Q159-L204 PolarHBondContact OE1-O 2.89Å
160	D	93.4	Very high	97	Very high	136 Å²	136	44.7 Å²	44.7	73%	0.727	21%	0.205	S	C	*	.	H	α-helix	trans	-56.8	-24.7	177.2	-65.7	-25.8	0	0	0	113.1	R156 R157	R156-D160 PolarHBondContact O-N 2.88Å; R156-D160 VanDerWaalsContact O-N 3.14Å; R157-D160 PolarHBondContact O-N 2.86Å
161	R	93.5	Very high	97	Very high	160 Å²	160	43.2 Å²	43.2	60%	0.604	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	9.5	175.7	-65	-160.2	171.5	-172.3	-6	114	L132 A158 Q159 A163 F376	L132-R161 HydrophobicContact CD2-CB 3.84Å; L132-R161 WeakPolarHBondContact CD2-O 3.35Å; A158-R161 PolarHBondContact O-N 3Å; Q159-R161 PolarHBondContact O-N 3.18Å; R161-A163 PolarHBondContact O-N 2.82Å; R161-F376 HydrophobicContact CB-CD1 4.18Å; R161-F376 HydrophobicContact CB-CE1 3.74Å; R161-F376 HydrophobicContact CB-CZ 4.14Å; R161-F376 HydrophobicContact CG-CE1 4.07Å; R161-F376 HydrophobicContact CG-CE2 4.39Å; R161-F376 HydrophobicContact CG-CZ 3.96Å
162	A	93.6	Very high	97	Very high	70 Å²	70	43.2 Å²	43.2	58%	0.579	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	40.3	-176.4	0	0	0	0	0	113	A158 Q159 R164	A158-A162 PolarHBondContact O-N 3.48Å; Q159-A162 PolarHBondContact O-N 3.33Å; A162-R164 PolarHBondContact O-N 3.01Å
163	A	96.9	Very high	97	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.025	18%	0.184	C	C	.	.			trans	-62.2	134.4	171.3	0	0	0	0	0	109.8	L132 A134 A158 R161 V206 F376	L132-A163 CarbonylContact O-C 3.58Å; L132-A163 WeakPolarHBondContact O-CA 3.48Å; A134-A163 HydrophobicContact CB-CB 3.84Å; A158-A163 HydrophobicContact CB-CB 4.11Å; A158-A163 WeakPolarHBondContact O-CB 3.37Å; A158-A163 PolarHBondContact O-N 3.38Å; A158-A163 VanDerWaalsContact O-N 3.11Å; R161-A163 PolarHBondContact O-N 2.82Å; A163-V206 VanDerWaalsContact O-CG2 3.29Å; A163-V206 WeakPolarHBondContact O-CG2 3.5Å; A163-F376 HydrophobicContact CB-CE1 4.46Å
164	R	97.1	Very high	96.9	Very high	95 Å²	95	34.5 Å²	34.5	36%	0.358	16%	0.16	S	C	.	.	S	Bend	trans	-81.7	-21.9	179.4	-64.8	-168	-178.1	174.5	1.7	113.1	S129 L132 A162 W207 P276 V277	S129-R164 PolarHBondContact OG-NH2 3.05Å; L132-R164 PolarHBondContact O-N 3.5Å; A162-R164 PolarHBondContact O-N 3.01Å; R164-W207 PolarHBondContact O-N 2.96Å; R164-P276 HydrophobicContact CB-CB 4.39Å; R164-V277 HydrophobicContact CB-CG1 3.97Å
165	M	98.5	Very high	96.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	137.6	-179.1	-170.1	164	-176.6	0	0	111.5	I133 A134 F167 W207 I230 T275 V277 L280	I133-M165 WeakPolarHBondContact CA-O 3.49Å; I133-M165 HydrophobicContact CG2-CB 4.28Å; A134-M165 PolarHBondContact N-O 2.67Å; M165-F167 HydrophobicContact CB-CE2 4.06Å; M165-F167 HydrophobicContact CE-CE1 4Å; M165-F167 HydrophobicContact CE-CZ 3.91Å; M165-F167 HydrophobicContact CG-CD2 4.34Å; M165-F167 HydrophobicContact CG-CE2 3.67Å; M165-F167 HydrophobicContact CG-CZ 3.87Å; M165-F167 HydrophobicContact SD-CE1 4.35Å; M165-F167 HydrophobicContact SD-CE2 4.09Å; M165-F167 HydrophobicContact SD-CZ 3.66Å; M165-W207 CarbonylContact C-O 3.53Å; M165-W207 VanDerWaalsContact CA-O 3.26Å; M165-W207 WeakPolarHBondContact CA-O 3.41Å; M165-W207 HydrophobicContact CB-CB 4.02Å; M165-W207 HydrophobicContact CG-CB 3.77Å; M165-W207 HydrophobicContact SD-CB 4.17Å; M165-I230 HydrophobicContact CE-CD1 4.06Å; M165-I230 HydrophobicContact CE-CG2 3.82Å; M165-T275 HydrophobicContact SD-CG2 4.31Å; M165-V277 HydrophobicContact CB-CG1 4.21Å; M165-V277 HydrophobicContact CB-CG2 4.46Å; M165-V277 HydrophobicContact SD-CG2 4.01Å; M165-L280 HydrophobicContact CE-CD2 3.32Å; M165-L280 HydrophobicContact SD-CD2 4.09Å
166	V	98.7	Very high	96.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.9	179.2	-171.5	0	0	0	0	110.3	A134 C136 M155 A158 F168 V206 W207 V208 S209	A134-V166 CarbonylContact O-C 3.55Å; A134-V166 WeakPolarHBondContact O-CA 3.27Å; C136-V166 VanDerWaalsContact SG-CG1 3.51Å; M155-V166 HydrophobicContact CG-CG1 4.47Å; A158-V166 HydrophobicContact CB-CG1 4.4Å; A158-V166 HydrophobicContact CB-CG2 3.42Å; A158-V166 VanDerWaalsContact CB-CG2 3.42Å; V166-F168 HydrophobicContact CG1-CD2 4.41Å; V166-F168 HydrophobicContact CG1-CE2 3.83Å; V166-F168 HydrophobicContact CG1-CZ 4.11Å; V166-V206 HydrophobicContact CG2-CG2 3.8Å; V166-W207 PolarHBondContact N-O 2.85Å; V166-V208 CarbonylContact O-C 3.59Å; V166-V208 WeakPolarHBondContact O-CA 3.19Å; V166-S209 PolarHBondContact O-N 2.96Å
167	F	98.9	Very high	95.7	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.013	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.8	-178.5	-63.9	-102	0	0	0	111.3	I133 A134 V135 C136 M165 S209 L280 V336 A338	I133-F167 HydrophobicContact CB-CD2 4.45Å; I133-F167 HydrophobicContact CB-CE2 3.95Å; I133-F167 HydrophobicContact CD1-CD2 4.45Å; I133-F167 HydrophobicContact CD1-CE2 4.01Å; I133-F167 HydrophobicContact CG2-CE2 3.97Å; A134-F167 PolarHBondContact O-N 3.26Å; V135-F167 HydrophobicContact CG2-CD2 4.42Å; C136-F167 VanDerWaalsContact CB-O 3.23Å; C136-F167 WeakPolarHBondContact CB-O 3.35Å; C136-F167 PolarHBondContact N-O 3.25Å; M165-F167 HydrophobicContact CB-CE2 4.06Å; M165-F167 HydrophobicContact CE-CE1 4Å; M165-F167 HydrophobicContact CE-CZ 3.91Å; M165-F167 HydrophobicContact CG-CD2 4.34Å; M165-F167 HydrophobicContact CG-CE2 3.67Å; M165-F167 HydrophobicContact CG-CZ 3.87Å; M165-F167 HydrophobicContact SD-CE1 4.35Å; M165-F167 HydrophobicContact SD-CE2 4.09Å; M165-F167 HydrophobicContact SD-CZ 3.66Å; F167-S209 WeakPolarHBondContact CD1-OG 3.26Å; F167-L280 HydrophobicContact CE1-CD1 4.12Å; F167-L280 HydrophobicContact CE1-CD2 4.04Å; F167-L280 HydrophobicContact CZ-CD2 4.43Å; F167-V336 HydrophobicContact CB-CG1 4.12Å; F167-V336 HydrophobicContact CD1-CB 4.37Å; F167-V336 HydrophobicContact CD1-CG1 3.58Å; F167-V336 HydrophobicContact CD2-CG1 3.79Å; F167-V336 HydrophobicContact CE1-CB 4.27Å; F167-V336 HydrophobicContact CE1-CG1 3.86Å; F167-V336 HydrophobicContact CE2-CG1 4.06Å; F167-V336 HydrophobicContact CG-CG1 3.55Å; F167-V336 HydrophobicContact CZ-CG1 4.09Å; F167-A338 HydrophobicContact CB-CB 4.14Å; F167-A338 WeakPolarHBondContact O-CB 3.27Å
168	F	98.8	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	152	172.9	-75.5	-73.5	0	0	0	111.9	C136 M138 C151 L154 M155 V166 F172 F197 V208 S209 L210 G211 P308 A338	C136-F168 HydrophobicContact CB-CD1 3.82Å; C136-F168 HydrophobicContact CB-CE1 3.86Å; M138-F168 HydrophobicContact SD-CD1 4.04Å; C151-F168 HydrophobicContact CB-CD1 4.49Å; C151-F168 HydrophobicContact CB-CE1 3.86Å; C151-F168 HydrophobicContact CB-CZ 3.99Å; C151-F168 WeakPolarHBondContact O-CZ 3.32Å; L154-F168 HydrophobicContact CB-CE1 4.16Å; L154-F168 HydrophobicContact CB-CZ 4.29Å; L154-F168 HydrophobicContact CD1-CE1 4.23Å; M155-F168 HydrophobicContact CG-CE2 3.51Å; M155-F168 HydrophobicContact CG-CZ 3.56Å; M155-F168 HydrophobicContact SD-CE2 3.93Å; M155-F168 HydrophobicContact SD-CZ 4.39Å; V166-F168 HydrophobicContact CG1-CD2 4.41Å; V166-F168 HydrophobicContact CG1-CE2 3.83Å; V166-F168 HydrophobicContact CG1-CZ 4.11Å; F168-F172 HydrophobicContact CB-CB 4.12Å; F168-F172 HydrophobicContact CB-CG 4.29Å; F168-F197 HydrophobicContact CD2-CE1 4.23Å; F168-F197 HydrophobicContact CE2-CE1 4.07Å; F168-V208 HydrophobicContact CD2-CG1 3.95Å; F168-V208 HydrophobicContact CE2-CG1 4.15Å; F168-S209 PolarHBondContact N-O 3.26Å; F168-L210 HydrophobicContact CD2-CD2 4.07Å; F168-G211 VanDerWaalsContact O-CA 3.28Å; F168-G211 WeakPolarHBondContact O-CA 2.89Å; F168-G211 PolarHBondContact O-N 3.31Å; F168-P308 WeakPolarHBondContact O-CB 3.17Å; F168-A338 WeakPolarHBondContact O-CB 3.41Å
169	P	98.7	Very high	94.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.			trans	-74.3	177	-179	32.6	-37.1	0	0	0	113.1	M138 F172 A338 A339 Q340	M138-P169 HydrophobicContact CG-CG 3.6Å; M138-P169 HydrophobicContact SD-CG 4.02Å; P169-F172 HydrophobicContact CG-CB 4.46Å; P169-A338 HydrophobicContact CB-CB 4.27Å; P169-A339 VanDerWaalsContact CB-C 3.41Å; P169-Q340 HydrophobicContact CB-CG 4.13Å; P169-Q340 HydrophobicContact CG-CG 4.2Å
170	E	98.4	Very high	94.1	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.028	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	149.4	162	-175	-177.6	-143.5	0	0	110.1	F172 N226 K243 T284 C285 A310 Q340	E170-F172 PolarHBondContact O-N 2.68Å; E170-N226 PolarHBondContact OE1-ND2 2.92Å; E170-K243 IonicContact OE1-NZ 3.01Å; E170-K243 PolarHBondContact OE1-NZ 3.22Å; E170-T284 HydrophobicContact CB-CG2 4.1Å; E170-T284 HydrophobicContact CG-CG2 3.79Å; E170-T284 WeakPolarHBondContact OE1-CG2 3.43Å; E170-C285 WeakPolarHBondContact OE2-CB 3.44Å; E170-C285 PolarHBondContact OE2-SG 3Å; E170-A310 HydrophobicContact CB-CB 4.47Å; E170-A310 PolarHBondContact OE2-N 2.84Å; E170-Q340 VanDerWaalsContact O-CG 3.23Å; E170-Q340 WeakPolarHBondContact O-CG 3.38Å; E170-Q340 PolarHBondContact O-NE2 3.07Å
171	C	97.4	Very high	93.8	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.034	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	31.5	-179.2	-57	0	0	0	0	113.1	S140 D173 Y174 M175 G212 Q340	S140-C171 WeakPolarHBondContact CB-O 3.32Å; S140-C171 PolarHBondContact OG-O 3.3Å; C171-D173 WeakPolarHBondContact CA-OD1 3.23Å; C171-D173 PolarHBondContact O-N 3.24Å; C171-Y174 WeakPolarHBondContact CB-O 3.49Å; C171-M175 HydrophobicContact CB-CE 3.7Å; C171-M175 HydrophobicContact CB-SD 3.98Å; C171-G212 WeakPolarHBondContact CA-O 3.45Å; C171-G212 PolarHBondContact N-O 3.47Å; C171-Q340 PolarHBondContact O-NE2 3.19Å
172	F	98.2	Very high	93.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-63	-28.9	178.4	71.7	-87.4	0	0	0	111.6	M138 S140 F168 P169 E170 F193 I194 F197 L210 F213	M138-F172 HydrophobicContact SD-CB 3.94Å; S140-F172 WeakPolarHBondContact OG-CA 3.3Å; S140-F172 PolarHBondContact OG-O 3.3Å; F168-F172 HydrophobicContact CB-CB 4.12Å; F168-F172 HydrophobicContact CB-CG 4.29Å; P169-F172 HydrophobicContact CG-CB 4.46Å; E170-F172 PolarHBondContact O-N 2.68Å; F172-F193 HydrophobicContact CD2-CE1 4.5Å; F172-F193 AromaticContact CE2-CE1 3.97Å; F172-F193 HydrophobicContact CE2-CE1 3.97Å; F172-I194 HydrophobicContact CZ-CD1 4.18Å; F172-F197 HydrophobicContact CD2-CE1 4.45Å; F172-F197 HydrophobicContact CD2-CE2 4.03Å; F172-F197 AromaticContact CD2-CZ 3.66Å; F172-F197 HydrophobicContact CD2-CZ 3.66Å; F172-F197 HydrophobicContact CE2-CD2 4.19Å; F172-F197 HydrophobicContact CE2-CE1 4.34Å; F172-F197 AromaticContact CE2-CE2 3.46Å; F172-F197 HydrophobicContact CE2-CE2 3.46Å; F172-F197 VanDerWaalsContact CE2-CE2 3.46Å; F172-F197 AromaticContact CE2-CZ 3.53Å; F172-F197 HydrophobicContact CE2-CZ 3.53Å; F172-L210 HydrophobicContact CD1-CB 4.43Å; F172-L210 HydrophobicContact CE1-CB 3.59Å; F172-L210 HydrophobicContact CE1-CD2 4.38Å; F172-L210 HydrophobicContact CE1-CG 4.41Å; F172-L210 HydrophobicContact CE2-CD1 4.45Å; F172-L210 HydrophobicContact CE2-CD2 4.01Å; F172-L210 HydrophobicContact CZ-CB 3.7Å; F172-L210 HydrophobicContact CZ-CD1 3.9Å; F172-L210 HydrophobicContact CZ-CD2 3.93Å; F172-L210 HydrophobicContact CZ-CG 4.05Å; F172-F213 HydrophobicContact CE1-CB 3.63Å; F172-F213 HydrophobicContact CZ-CB 3.76Å
173	D	97.6	Very high	93.2	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-67.7	-54.9	178.1	55.7	-20.6	0	0	0	111.9	N147 C171 L187 F193 F213 H214	N147-D173 PolarHBondContact ND2-O 3.05Å; C171-D173 WeakPolarHBondContact CA-OD1 3.23Å; C171-D173 PolarHBondContact O-N 3.24Å; D173-L187 HydrophobicContact CB-CD1 3.78Å; D173-F193 HydrophobicContact CB-CD1 4.48Å; D173-F193 HydrophobicContact CB-CE1 3.82Å; D173-F193 HydrophobicContact CB-CZ 4.28Å; D173-F213 HydrophobicContact CB-CB 4.34Å; D173-H214 IonicContact OD1-CE1 2.69Å; D173-H214 IonicContact OD1-ND1 2.76Å; D173-H214 PolarHBondContact OD1-ND1 2.94Å; D173-H214 IonicContact OD2-CG 3.76Å; D173-H214 PolarHBondContact OD2-N 2.95Å; D173-H214 IonicContact OD2-ND1 3.52Å; D173-H214 PolarHBondContact OD2-ND1 3.4Å; D173-H214 VanDerWaalsContact OD2-ND1 3.13Å
174	Y	96.1	Very high	92.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.169	C	C	.	.			trans	-162	158.3	173.7	62.5	-83.5	0	0	0	113	E141 K144 N147 C171 E176 S182 N185 A186 H214	E141-Y174 WeakPolarHBondContact O-CA 3.39Å; E141-Y174 WeakPolarHBondContact O-CB 3.33Å; K144-Y174 HydrophobicContact CD-CD1 3.98Å; K144-Y174 HydrophobicContact CG-CD1 4.02Å; K144-Y174 HydrophobicContact CG-CG 4.34Å; N147-Y174 WeakPolarHBondContact ND2-CA 3.48Å; C171-Y174 WeakPolarHBondContact CB-O 3.49Å; Y174-E176 HydrophobicContact CE2-CB 4.39Å; Y174-S182 PolarHBondContact OH-O 3.17Å; Y174-N185 HydrophobicContact CD1-CB 4.32Å; Y174-N185 HydrophobicContact CD2-CB 4.36Å; Y174-N185 HydrophobicContact CE1-CB 3.81Å; Y174-N185 HydrophobicContact CE2-CB 3.86Å; Y174-A186 PolarHBondContact OH-N 3.46Å; Y174-H214 AromaticContact CD1-ND1 4Å; Y174-H214 HydrophobicContact CE1-CB 3.86Å; Y174-H214 AromaticContact CE1-CG 3.86Å; Y174-H214 AromaticContact CE1-ND1 3.54Å; Y174-H214 AromaticContact CE2-CE1 3.95Å; Y174-H214 AromaticContact CE2-ND1 3.84Å; Y174-H214 AromaticContact CZ-CG 3.5Å; Y174-H214 VanDerWaalsContact CZ-CG 3.5Å; Y174-H214 AromaticContact CZ-ND1 3.44Å; Y174-H214 PolarHBondContact O-CE1 2.62Å; Y174-H214 VanDerWaalsContact O-CE1 3.31Å; Y174-H214 WeakPolarHBondContact OH-CB 3.46Å
175	M	94.6	Very high	92.7	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	16%	0.163	C	C	.	.			trans	-98.4	120.5	161.9	-81.6	-61.8	171.4	0	0	110.5	S140 E141 S142 C171 A310 Q340 H344 R348	S140-M175 WeakPolarHBondContact O-CB 3.33Å; S140-M175 WeakPolarHBondContact O-CG 3.42Å; E141-M175 PolarHBondContact O-N 2.98Å; S142-M175 WeakPolarHBondContact CA-O 3.33Å; C171-M175 HydrophobicContact CB-CE 3.7Å; C171-M175 HydrophobicContact CB-SD 3.98Å; M175-A310 HydrophobicContact CE-CB 3.86Å; M175-Q340 HydrophobicContact CE-CB 4.09Å; M175-Q340 HydrophobicContact CE-CG 3.54Å; M175-H344 HydrophobicContact CB-CB 4.16Å; M175-H344 HydrophobicContact CG-CB 3.78Å; M175-R348 PolarHBondContact SD-NE 3.17Å; M175-R348 VanDerWaalsContact SD-NE 3.45Å; M175-R348 PolarHBondContact SD-NH1 2.96Å
176	E	87.6	Confident	92.5	Very high	21 Å²	21	34.9 Å²	34.9	10%	0.098	17%	0.169	C	C	.	.			trans	-64.8	141.1	171.7	71.3	-79.1	-173.7	0	0	112.5	Y174 S182 H214 N345 R348	Y174-E176 HydrophobicContact CE2-CB 4.39Å; E176-S182 WeakPolarHBondContact CB-OG 3.21Å; E176-S182 VanDerWaalsContact CG-OG 3.29Å; E176-S182 WeakPolarHBondContact CG-OG 3.45Å; E176-H214 IonicContact OE2-CE1 2.9Å; E176-H214 IonicContact OE2-NE2 3.19Å; E176-N345 PolarHBondContact O-ND2 3.45Å; E176-R348 IonicContact OE1-CZ 2.71Å; E176-R348 IonicContact OE1-NH1 3.62Å; E176-R348 PolarHBondContact OE1-NH1 2.93Å; E176-R348 IonicContact OE2-NH1 3.39Å; E176-R348 PolarHBondContact OE2-NH1 2.8Å
177	I	85.2	Confident	92.4	Very high	109 Å²	109	35.7 Å²	35.7	56%	0.559	17%	0.173	S	C	*	.	S	Bend	trans	-92.1	-28.6	167.6	-54.6	170.7	0	0	0	109.8	E181	I177-E181 WeakPolarHBondContact CA-OE2 3.31Å; I177-E181 WeakPolarHBondContact CB-OE2 3.36Å; I177-E181 WeakPolarHBondContact CG1-OE2 3.38Å; I177-E181 PolarHBondContact N-OE2 3.44Å
178	S	83.3	Confident	92.3	Very high	56 Å²	56	38.1 Å²	38.1	39%	0.392	19%	0.188	S	C	.	.	S	Bend	trans	-142.7	158.1	-179.6	74	0	0	0	0	112.6	R180 E181 S182	S178-R180 PolarHBondContact O-N 3.32Å; S178-R180 VanDerWaalsContact O-N 3.16Å; S178-E181 WeakPolarHBondContact O-CB 3.11Å; S178-E181 PolarHBondContact O-N 3.31Å; S178-E181 PolarHBondContact OG-N 2.89Å; S178-S182 PolarHBondContact O-N 2.89Å; S178-S182 PolarHBondContact O-OG 3.36Å
179	K	83.6	Confident	92.1	Very high	115 Å²	115	40.1 Å²	40.1	50%	0.5	20%	0.198	S	C	.	.	H	α-helix	trans	-54.9	-33.7	174.8	-60.8	-174.8	-177.9	179.6	0	112.9	S182 D261 Y262	K179-S182 WeakPolarHBondContact O-CB 3.39Å; K179-S182 PolarHBondContact O-N 3.32Å; K179-D261 HydrophobicContact CD-CB 4.35Å; K179-D261 IonicContact NZ-OD2 2.64Å; K179-D261 PolarHBondContact NZ-OD2 2.88Å; K179-Y262 HydrophobicContact CB-CD1 4.47Å; K179-Y262 HydrophobicContact CD-CD1 4.2Å; K179-Y262 HydrophobicContact CG-CD1 3.9Å; K179-Y262 HydrophobicContact CG-CE1 4.48Å
180	R	86.5	Confident	91.9	Very high	172 Å²	172	46.2 Å²	46.2	65%	0.649	23%	0.23	S	C	*	.	H	α-helix	trans	-65.4	-44.1	177.9	178.8	179.8	172.4	154.4	6.1	110.8	S178 S182 V183 E184	S178-R180 PolarHBondContact O-N 3.32Å; S178-R180 VanDerWaalsContact O-N 3.16Å; R180-S182 VanDerWaalsContact C-N 3.3Å; R180-S182 PolarHBondContact O-N 3.21Å; R180-V183 PolarHBondContact O-N 3.45Å; R180-V183 VanDerWaalsContact O-N 3.13Å; R180-E184 HydrophobicContact CG-CG 4.22Å; R180-E184 IonicContact CZ-OE1 3.49Å; R180-E184 VanDerWaalsContact NE-CD 3.28Å; R180-E184 IonicContact NE-OE1 2.69Å; R180-E184 PolarHBondContact NE-OE1 3.46Å; R180-E184 IonicContact NE-OE2 3.83Å; R180-E184 PolarHBondContact NE-OE2 3.29Å; R180-E184 IonicContact NH2-OE1 3.24Å; R180-E184 PolarHBondContact NH2-OE1 3.44Å; R180-E184 PolarHBondContact O-N 3.38Å
181	E	87.8	Confident	91.8	Very high	30 Å²	30	46.8 Å²	46.8	14%	0.14	24%	0.238	C	C	.	.	H	α-helix	trans	-65.2	-34	179.3	-167.9	178.9	-177.7	0	0	112.3	S142 I177 S178 V183 E184 N185	S142-E181 WeakPolarHBondContact CB-OE1 3.3Å; I177-E181 WeakPolarHBondContact CA-OE2 3.31Å; I177-E181 WeakPolarHBondContact CB-OE2 3.36Å; I177-E181 WeakPolarHBondContact CG1-OE2 3.38Å; I177-E181 PolarHBondContact N-OE2 3.44Å; S178-E181 WeakPolarHBondContact O-CB 3.11Å; S178-E181 PolarHBondContact O-N 3.31Å; S178-E181 PolarHBondContact OG-N 2.89Å; E181-V183 PolarHBondContact O-N 2.95Å; E181-V183 VanDerWaalsContact O-N 3.12Å; E181-E184 PolarHBondContact O-N 3.4Å; E181-N185 WeakPolarHBondContact CG-ND2 3.46Å; E181-N185 WeakPolarHBondContact O-CB 3.46Å; E181-N185 PolarHBondContact O-N 3.4Å; E181-N185 VanDerWaalsContact O-N 3.13Å; E181-N185 PolarHBondContact OE1-ND2 3.47Å
182	S	83.8	Confident	91.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-52.4	-34.2	172.5	-50.5	0	0	0	0	112.5	Y174 E176 S178 K179 R180 V224	Y174-S182 PolarHBondContact OH-O 3.17Å; E176-S182 WeakPolarHBondContact CB-OG 3.21Å; E176-S182 VanDerWaalsContact CG-OG 3.29Å; E176-S182 WeakPolarHBondContact CG-OG 3.45Å; S178-S182 PolarHBondContact O-N 2.89Å; S178-S182 PolarHBondContact O-OG 3.36Å; K179-S182 WeakPolarHBondContact O-CB 3.39Å; K179-S182 PolarHBondContact O-N 3.32Å; R180-S182 VanDerWaalsContact C-N 3.3Å; R180-S182 PolarHBondContact O-N 3.21Å; S182-V224 WeakPolarHBondContact O-CG1 3.44Å
183	V	88.8	Confident	91.7	Very high	35 Å²	35	55 Å²	55	21%	0.212	28%	0.276	C	S	.	.	H	α-helix	trans	-95.7	-41.1	-176	-175.5	0	0	0	0	112.1	R180 E181 N185 A186 S221 K222 V224	R180-V183 PolarHBondContact O-N 3.45Å; R180-V183 VanDerWaalsContact O-N 3.13Å; E181-V183 PolarHBondContact O-N 2.95Å; E181-V183 VanDerWaalsContact O-N 3.12Å; V183-N185 VanDerWaalsContact C-N 3.35Å; V183-N185 PolarHBondContact O-N 3.13Å; V183-A186 VanDerWaalsContact O-CB 3.25Å; V183-A186 WeakPolarHBondContact O-CB 3.32Å; V183-A186 PolarHBondContact O-N 2.89Å; V183-S221 WeakPolarHBondContact CG1-O 3.2Å; V183-K222 VanDerWaalsContact CG2-O 3.23Å; V183-K222 WeakPolarHBondContact CG2-O 3.03Å; V183-V224 HydrophobicContact CG2-CG1 4.45Å
184	E	90.6	Very high	91.7	Very high	120 Å²	120	55 Å²	55	56%	0.561	28%	0.276	S	S	*	.	H	α-helix	trans	-65.6	-37.6	-177.8	-73.5	-179.2	155.5	0	0	112.3	R180 E181 A186	R180-E184 HydrophobicContact CG-CG 4.22Å; R180-E184 IonicContact CZ-OE1 3.49Å; R180-E184 VanDerWaalsContact NE-CD 3.28Å; R180-E184 IonicContact NE-OE1 2.69Å; R180-E184 PolarHBondContact NE-OE1 3.46Å; R180-E184 IonicContact NE-OE2 3.83Å; R180-E184 PolarHBondContact NE-OE2 3.29Å; R180-E184 IonicContact NH2-OE1 3.24Å; R180-E184 PolarHBondContact NH2-OE1 3.44Å; R180-E184 PolarHBondContact O-N 3.38Å; E181-E184 PolarHBondContact O-N 3.4Å; E184-A186 VanDerWaalsContact C-N 3.34Å
185	N	93	Very high	91.8	Very high	44 Å²	44	56.1 Å²	56.1	24%	0.235	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-1.8	-178.8	-74.4	-24.2	0	0	0	114.2	K144 Y174 E181 V183	K144-N185 PolarHBondContact NZ-O 3.4Å; Y174-N185 HydrophobicContact CD1-CB 4.32Å; Y174-N185 HydrophobicContact CD2-CB 4.36Å; Y174-N185 HydrophobicContact CE1-CB 3.81Å; Y174-N185 HydrophobicContact CE2-CB 3.86Å; E181-N185 WeakPolarHBondContact CG-ND2 3.46Å; E181-N185 WeakPolarHBondContact O-CB 3.46Å; E181-N185 PolarHBondContact O-N 3.4Å; E181-N185 VanDerWaalsContact O-N 3.13Å; E181-N185 PolarHBondContact OE1-ND2 3.47Å; V183-N185 VanDerWaalsContact C-N 3.35Å; V183-N185 PolarHBondContact O-N 3.13Å
186	A	95.2	Very high	92	Very high	15 Å²	15	58.4 Å²	58.4	12%	0.124	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-56.2	139.5	-175.6	0	0	0	0	0	112.1	Y174 V183 E184 H214 K216 V224	Y174-A186 PolarHBondContact OH-N 3.46Å; V183-A186 VanDerWaalsContact O-CB 3.25Å; V183-A186 WeakPolarHBondContact O-CB 3.32Å; V183-A186 PolarHBondContact O-N 2.89Å; E184-A186 VanDerWaalsContact C-N 3.34Å; A186-H214 WeakPolarHBondContact CA-O 3.29Å; A186-K216 HydrophobicContact CB-CB 3.98Å; A186-K216 HydrophobicContact CB-CG 4.47Å; A186-V224 HydrophobicContact CB-CG1 3.53Å
187	L	96.3	Very high	92.5	Very high	17 Å²	17	57.4 Å²	57.4	9%	0.089	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-103.1	155.9	-173.3	-56.8	173.6	0	0	0	110.8	K144 D173 F193 F213 H214 E215 K216	K144-L187 HydrophobicContact CD-CD2 4.17Å; D173-L187 HydrophobicContact CB-CD1 3.78Å; L187-F193 HydrophobicContact CD1-CB 3.88Å; L187-F193 HydrophobicContact CD1-CD1 3.43Å; L187-F193 VanDerWaalsContact CD1-CD1 3.43Å; L187-F193 HydrophobicContact CD1-CD2 4.48Å; L187-F193 HydrophobicContact CD1-CE1 4.09Å; L187-F193 HydrophobicContact CD1-CG 3.67Å; L187-F193 HydrophobicContact CD2-CB 3.95Å; L187-F193 HydrophobicContact CD2-CG 4.34Å; L187-F213 HydrophobicContact CB-CD2 4.03Å; L187-F213 HydrophobicContact CB-CE2 4.28Å; L187-H214 PolarHBondContact N-O 3.12Å; L187-E215 WeakPolarHBondContact O-CA 3.36Å; L187-K216 PolarHBondContact O-N 3.4Å
188	T	96.5	Very high	93.2	Very high	54 Å²	54	54.7 Å²	54.7	33%	0.331	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-99.6	148.4	167.1	53	0	0	0	0	109.4	D190 G191 K216	T188-D190 PolarHBondContact O-N 2.81Å; T188-G191 PolarHBondContact O-N 2.83Å; T188-G191 WeakPolarHBondContact OG1-CA 3.13Å; T188-G191 PolarHBondContact OG1-N 3.29Å; T188-K216 HydrophobicContact CG2-CB 4.29Å; T188-K216 HydrophobicContact CG2-CD 4.49Å
189	E	94.8	Very high	93.9	Very high	42 Å²	42	55.7 Å²	55.7	20%	0.196	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-36.3	178.2	-171	-165.6	149.8	0	0	112.7	G191 I194 R198 L229 V237 K240	E189-G191 VanDerWaalsContact C-N 3.32Å; E189-I194 WeakPolarHBondContact O-CB 3.46Å; E189-I194 VanDerWaalsContact O-CG2 3.23Å; E189-I194 WeakPolarHBondContact O-CG2 3.07Å; E189-R198 IonicContact OE1-NH2 3.35Å; E189-R198 PolarHBondContact OE1-NH2 2.77Å; E189-L229 HydrophobicContact CG-CD1 4.04Å; E189-V237 HydrophobicContact CG-CG2 4.4Å; E189-V237 WeakPolarHBondContact OE1-CB 3.29Å; E189-V237 WeakPolarHBondContact OE1-CG2 3.39Å; E189-K240 WeakPolarHBondContact OE2-CE 3.24Å; E189-K240 IonicContact OE2-NZ 3.04Å; E189-K240 PolarHBondContact OE2-NZ 3.49Å
190	D	94.1	Very high	94.6	Very high	128 Å²	128	50.5 Å²	50.5	68%	0.684	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	11.3	177.7	-59.4	-47.2	0	0	0	113.1	T188 R198	T188-D190 PolarHBondContact O-N 2.81Å; D190-R198 IonicContact OD1-CZ 2.95Å; D190-R198 IonicContact OD1-NH1 2.67Å; D190-R198 PolarHBondContact OD1-NH1 3.04Å; D190-R198 IonicContact OD1-NH2 3.56Å; D190-R198 PolarHBondContact OD1-NH2 2.83Å
191	G	96	Very high	95.1	Very high	19 Å²	19	42.3 Å²	42.3	20%	0.196	23%	0.228	C	C	.	.	S	Bend	trans	-75.9	162.3	177.4	0	0	0	0	0	112.7	T188 E189 F193 I194 G195	T188-G191 PolarHBondContact O-N 2.83Å; T188-G191 WeakPolarHBondContact OG1-CA 3.13Å; T188-G191 PolarHBondContact OG1-N 3.29Å; E189-G191 VanDerWaalsContact C-N 3.32Å; G191-F193 VanDerWaalsContact C-N 3.29Å; G191-F193 PolarHBondContact O-N 2.79Å; G191-I194 PolarHBondContact O-N 2.79Å; G191-G195 PolarHBondContact O-N 3.06Å
192	E	96.8	Very high	95.6	Very high	165 Å²	165	47.7 Å²	47.7	77%	0.771	25%	0.251	S	S	*	.	H	α-helix	trans	-52.4	-44.7	-177.9	-175.6	178.6	176.4	0	0	112.8	I194 G195 R196	E192-I194 PolarHBondContact O-N 2.58Å; E192-G195 CarbonylContact O-C 3.54Å; E192-G195 WeakPolarHBondContact O-CA 3.46Å; E192-G195 PolarHBondContact O-N 2.81Å; E192-R196 WeakPolarHBondContact O-CG 3.15Å; E192-R196 PolarHBondContact O-N 3.22Å
193	F	97.7	Very high	96.3	Very high	12 Å²	12	53.4 Å²	53.4	5%	0.053	28%	0.278	C	S	.	.	H	α-helix	trans	-57	-49.9	-178	-165.2	-87	0	0	0	112.8	K144 W148 F172 D173 L187 G191 G195 R196 F197	K144-F193 HydrophobicContact CB-CD2 4.33Å; K144-F193 HydrophobicContact CB-CE2 3.81Å; K144-F193 HydrophobicContact CG-CE2 4.46Å; K144-F193 WeakPolarHBondContact O-CE2 3.21Å; W148-F193 HydrophobicContact CB-CE2 4.05Å; W148-F193 HydrophobicContact CB-CZ 4.24Å; F172-F193 HydrophobicContact CD2-CE1 4.5Å; F172-F193 AromaticContact CE2-CE1 3.97Å; F172-F193 HydrophobicContact CE2-CE1 3.97Å; D173-F193 HydrophobicContact CB-CD1 4.48Å; D173-F193 HydrophobicContact CB-CE1 3.82Å; D173-F193 HydrophobicContact CB-CZ 4.28Å; L187-F193 HydrophobicContact CD1-CB 3.88Å; L187-F193 HydrophobicContact CD1-CD1 3.43Å; L187-F193 VanDerWaalsContact CD1-CD1 3.43Å; L187-F193 HydrophobicContact CD1-CD2 4.48Å; L187-F193 HydrophobicContact CD1-CE1 4.09Å; L187-F193 HydrophobicContact CD1-CG 3.67Å; L187-F193 HydrophobicContact CD2-CB 3.95Å; L187-F193 HydrophobicContact CD2-CG 4.34Å; G191-F193 VanDerWaalsContact C-N 3.29Å; G191-F193 PolarHBondContact O-N 2.79Å; F193-G195 VanDerWaalsContact C-N 3.34Å; F193-R196 PolarHBondContact O-N 3.31Å; F193-F197 HydrophobicContact CD1-CE2 4.1Å; F193-F197 HydrophobicContact CE1-CD2 4.48Å; F193-F197 AromaticContact CE1-CE2 3.65Å; F193-F197 HydrophobicContact CE1-CE2 3.65Å; F193-F197 HydrophobicContact CZ-CE2 4.34Å; F193-F197 WeakPolarHBondContact O-CD2 3.26Å
194	I	98.1	Very high	96.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-71.2	-33.1	176	-58.5	-61.4	0	0	0	110.7	F172 E189 G191 E192 R196 F197 R198 L210 F213 L229	F172-I194 HydrophobicContact CZ-CD1 4.18Å; E189-I194 WeakPolarHBondContact O-CB 3.46Å; E189-I194 VanDerWaalsContact O-CG2 3.23Å; E189-I194 WeakPolarHBondContact O-CG2 3.07Å; G191-I194 PolarHBondContact O-N 2.79Å; E192-I194 PolarHBondContact O-N 2.58Å; I194-R196 PolarHBondContact O-N 2.79Å; I194-F197 WeakPolarHBondContact O-CB 3.17Å; I194-F197 PolarHBondContact O-N 2.83Å; I194-F197 VanDerWaalsContact O-N 3.13Å; I194-R198 PolarHBondContact O-N 2.88Å; I194-L210 HydrophobicContact CD1-CD1 4.06Å; I194-F213 HydrophobicContact CD1-CD1 4.33Å; I194-F213 HydrophobicContact CD1-CD2 4.28Å; I194-F213 HydrophobicContact CD1-CG 4.14Å; I194-L229 HydrophobicContact CG2-CD1 4.13Å
195	G	98.2	Very high	97	Very high	24 Å²	24	52.4 Å²	52.4	25%	0.247	28%	0.275	C	S	.	.	H	α-helix	trans	-56.3	-34.9	172.7	0	0	0	0	0	113.5	G191 E192 F193 R198 S199	G191-G195 PolarHBondContact O-N 3.06Å; E192-G195 CarbonylContact O-C 3.54Å; E192-G195 WeakPolarHBondContact O-CA 3.46Å; E192-G195 PolarHBondContact O-N 2.81Å; F193-G195 VanDerWaalsContact C-N 3.34Å; G195-R198 PolarHBondContact O-N 2.87Å; G195-S199 WeakPolarHBondContact O-CB 3.42Å; G195-S199 PolarHBondContact O-N 2.92Å; G195-S199 PolarHBondContact O-OG 3.13Å
196	R	98.4	Very high	97.2	Very high	48 Å²	48	50.3 Å²	50.3	18%	0.181	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-44	173.9	-64.2	-171.2	-71.6	-162.8	-6.8	112.3	E145 W148 E192 F193 I194 S199 L200	E145-R196 VanDerWaalsContact CD-NH1 3.34Å; E145-R196 IonicContact OE1-CZ 2.85Å; E145-R196 IonicContact OE1-NH1 3.91Å; E145-R196 PolarHBondContact OE1-NH1 3.38Å; E145-R196 IonicContact OE1-NH2 2.85Å; E145-R196 PolarHBondContact OE1-NH2 3.39Å; E145-R196 IonicContact OE2-CZ 3.85Å; E145-R196 IonicContact OE2-NH1 3.04Å; E145-R196 PolarHBondContact OE2-NH1 2.96Å; E145-R196 IonicContact OE2-NH2 3.95Å; W148-R196 HydrophobicContact CD2-CB 4.28Å; W148-R196 HydrophobicContact CE3-CB 4.03Å; W148-R196 HydrophobicContact CH2-CB 3.38Å; W148-R196 HydrophobicContact CZ2-CB 3.64Å; W148-R196 HydrophobicContact CZ2-CG 4.42Å; W148-R196 HydrophobicContact CZ3-CB 3.58Å; E192-R196 WeakPolarHBondContact O-CG 3.15Å; E192-R196 PolarHBondContact O-N 3.22Å; F193-R196 PolarHBondContact O-N 3.31Å; I194-R196 PolarHBondContact O-N 2.79Å; R196-S199 PolarHBondContact O-N 3.19Å; R196-L200 WeakPolarHBondContact O-CB 3.17Å; R196-L200 PolarHBondContact O-N 2.9Å
197	F	98.6	Very high	97.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-44.1	173.5	-75.6	-84.1	0	0	0	112.6	W148 C151 M155 F168 F172 F193 I194 S199 L200 A201 L210 I231	W148-F197 HydrophobicContact CE3-CD2 4.01Å; W148-F197 HydrophobicContact CE3-CE1 4.42Å; W148-F197 AromaticContact CE3-CE2 3.53Å; W148-F197 HydrophobicContact CE3-CE2 3.53Å; W148-F197 AromaticContact CE3-CZ 3.79Å; W148-F197 HydrophobicContact CE3-CZ 3.79Å; W148-F197 AromaticContact CZ3-CD1 3.96Å; W148-F197 HydrophobicContact CZ3-CD1 3.96Å; W148-F197 AromaticContact CZ3-CD2 3.58Å; W148-F197 HydrophobicContact CZ3-CD2 3.58Å; W148-F197 AromaticContact CZ3-CE1 3.97Å; W148-F197 HydrophobicContact CZ3-CE1 3.97Å; W148-F197 AromaticContact CZ3-CE2 3.53Å; W148-F197 HydrophobicContact CZ3-CE2 3.53Å; W148-F197 AromaticContact CZ3-CG 3.79Å; W148-F197 HydrophobicContact CZ3-CG 3.79Å; W148-F197 AromaticContact CZ3-CZ 3.76Å; W148-F197 HydrophobicContact CZ3-CZ 3.76Å; C151-F197 HydrophobicContact CB-CE1 3.73Å; C151-F197 HydrophobicContact CB-CZ 3.59Å; M155-F197 HydrophobicContact SD-CD1 3.82Å; M155-F197 HydrophobicContact SD-CE1 4.17Å; F168-F197 HydrophobicContact CD2-CE1 4.23Å; F168-F197 HydrophobicContact CE2-CE1 4.07Å; F172-F197 HydrophobicContact CD2-CE1 4.45Å; F172-F197 HydrophobicContact CD2-CE2 4.03Å; F172-F197 AromaticContact CD2-CZ 3.66Å; F172-F197 HydrophobicContact CD2-CZ 3.66Å; F172-F197 HydrophobicContact CE2-CD2 4.19Å; F172-F197 HydrophobicContact CE2-CE1 4.34Å; F172-F197 AromaticContact CE2-CE2 3.46Å; F172-F197 HydrophobicContact CE2-CE2 3.46Å; F172-F197 VanDerWaalsContact CE2-CE2 3.46Å; F172-F197 AromaticContact CE2-CZ 3.53Å; F172-F197 HydrophobicContact CE2-CZ 3.53Å; F193-F197 HydrophobicContact CD1-CE2 4.1Å; F193-F197 HydrophobicContact CE1-CD2 4.48Å; F193-F197 AromaticContact CE1-CE2 3.65Å; F193-F197 HydrophobicContact CE1-CE2 3.65Å; F193-F197 HydrophobicContact CZ-CE2 4.34Å; F193-F197 WeakPolarHBondContact O-CD2 3.26Å; I194-F197 WeakPolarHBondContact O-CB 3.17Å; I194-F197 PolarHBondContact O-N 2.83Å; I194-F197 VanDerWaalsContact O-N 3.13Å; F197-S199 VanDerWaalsContact C-N 3.28Å; F197-S199 PolarHBondContact O-N 3.3Å; F197-L200 PolarHBondContact O-N 3.16Å; F197-A201 VanDerWaalsContact O-CB 3.23Å; F197-A201 WeakPolarHBondContact O-CB 3.43Å; F197-A201 PolarHBondContact O-N 3.39Å; F197-L210 HydrophobicContact CB-CD1 4.07Å; F197-L210 HydrophobicContact CB-CD2 4.41Å; F197-L210 HydrophobicContact CD1-CD2 3.45Å; F197-L210 VanDerWaalsContact CD1-CD2 3.45Å; F197-L210 HydrophobicContact CD2-CD1 4.32Å; F197-L210 HydrophobicContact CD2-CD2 4.38Å; F197-L210 HydrophobicContact CE1-CD2 3.67Å; F197-L210 HydrophobicContact CG-CD1 4.05Å; F197-L210 HydrophobicContact CG-CD2 3.82Å; F197-L210 HydrophobicContact CZ-CD2 4.25Å; F197-I231 HydrophobicContact CB-CD1 4.33Å
198	R	98.5	Very high	97.5	Very high	52 Å²	52	50.5 Å²	50.5	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-59.7	-41.1	176.8	-68.7	178.5	172.3	175.4	-4.6	111.5	E189 D190 I194 G195 K202 I231 G235 V237	E189-R198 IonicContact OE1-NH2 3.35Å; E189-R198 PolarHBondContact OE1-NH2 2.77Å; D190-R198 IonicContact OD1-CZ 2.95Å; D190-R198 IonicContact OD1-NH1 2.67Å; D190-R198 PolarHBondContact OD1-NH1 3.04Å; D190-R198 IonicContact OD1-NH2 3.56Å; D190-R198 PolarHBondContact OD1-NH2 2.83Å; I194-R198 PolarHBondContact O-N 2.88Å; G195-R198 PolarHBondContact O-N 2.87Å; R198-K202 PolarHBondContact O-N 2.89Å; R198-I231 HydrophobicContact CG-CD1 3.99Å; R198-I231 HydrophobicContact CG-CG2 4.3Å; R198-G235 WeakPolarHBondContact CD-O 3.4Å; R198-G235 VanDerWaalsContact CG-O 3.3Å; R198-G235 WeakPolarHBondContact CG-O 3.18Å; R198-V237 VanDerWaalsContact NH2-CG2 3.32Å
199	S	98.4	Very high	97.6	Very high	78 Å²	78	47.9 Å²	47.9	55%	0.545	24%	0.244	S	C	.	.	H	α-helix	trans	-68.2	-46	178.6	-57.4	0	0	0	0	111.7	G195 R196 F197 K202 E203	G195-S199 WeakPolarHBondContact O-CB 3.42Å; G195-S199 PolarHBondContact O-N 2.92Å; G195-S199 PolarHBondContact O-OG 3.13Å; R196-S199 PolarHBondContact O-N 3.19Å; F197-S199 VanDerWaalsContact C-N 3.28Å; F197-S199 PolarHBondContact O-N 3.3Å; S199-K202 WeakPolarHBondContact O-CB 3.49Å; S199-K202 PolarHBondContact O-N 2.95Å; S199-E203 PolarHBondContact O-N 3.07Å
200	L	98.3	Very high	97.8	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-68.8	-37.6	179.8	-171.8	59.7	0	0	0	112.4	W148 E152 M155 R196 F197 K202 E203 L204	W148-L200 HydrophobicContact CH2-CB 4.35Å; W148-L200 HydrophobicContact CH2-CD2 4Å; W148-L200 HydrophobicContact CZ2-CD2 4.43Å; E152-L200 HydrophobicContact CB-CD2 4.13Å; E152-L200 HydrophobicContact CG-CD2 3.89Å; M155-L200 HydrophobicContact CB-CD2 3.96Å; M155-L200 HydrophobicContact CE-CB 4.09Å; M155-L200 HydrophobicContact CE-CD2 3.97Å; M155-L200 HydrophobicContact CE-CG 3.79Å; M155-L200 HydrophobicContact CG-CD2 4.34Å; M155-L200 HydrophobicContact SD-CD2 3.67Å; M155-L200 HydrophobicContact SD-CG 4.17Å; R196-L200 WeakPolarHBondContact O-CB 3.17Å; R196-L200 PolarHBondContact O-N 2.9Å; F197-L200 PolarHBondContact O-N 3.16Å; L200-K202 PolarHBondContact O-N 3.46Å; L200-E203 PolarHBondContact O-N 3.41Å; L200-L204 HydrophobicContact CD1-CD1 3.8Å; L200-L204 HydrophobicContact CD1-CD2 4.38Å; L200-L204 HydrophobicContact CD1-CG 3.87Å; L200-L204 HydrophobicContact CD2-CD1 4.5Å; L200-L204 HydrophobicContact CG-CD1 3.86Å; L200-L204 HydrophobicContact CG-CG 4.25Å; L200-L204 WeakPolarHBondContact O-CB 3.45Å; L200-L204 WeakPolarHBondContact O-CG 3.06Å; L200-L204 PolarHBondContact O-N 3.26Å
201	A	98.3	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.9	-39.6	172.4	0	0	0	0	0	111.7	F197 D205 V206 V208 I231	F197-A201 VanDerWaalsContact O-CB 3.23Å; F197-A201 WeakPolarHBondContact O-CB 3.43Å; F197-A201 PolarHBondContact O-N 3.39Å; A201-D205 WeakPolarHBondContact O-CA 3.5Å; A201-D205 PolarHBondContact O-N 2.97Å; A201-D205 VanDerWaalsContact O-N 3.07Å; A201-V206 PolarHBondContact O-N 2.85Å; A201-V208 HydrophobicContact CB-CG2 3.75Å; A201-I231 HydrophobicContact CB-CG2 4.22Å
202	K	98	Very high	98.1	Very high	142 Å²	142	39 Å²	39	62%	0.617	19%	0.194	S	C	*	.	H	α-helix	trans	-73.9	-38.9	177.3	-165.1	-179.4	-174.5	177.5	0	113.2	R198 S199 L200 S233	R198-K202 PolarHBondContact O-N 2.89Å; S199-K202 WeakPolarHBondContact O-CB 3.49Å; S199-K202 PolarHBondContact O-N 2.95Å; L200-K202 PolarHBondContact O-N 3.46Å; K202-S233 WeakPolarHBondContact CA-O 3.47Å
203	E	98.1	Very high	98.1	Very high	121 Å²	121	31.1 Å²	31.1	57%	0.565	16%	0.157	S	C	*	.	H	α-helix	trans	-61.6	-45.1	175	-178	-170.2	138	0	0	111.4	R156 S199 L200	R156-E203 IonicContact CZ-OE1 2.82Å; R156-E203 IonicContact NH1-OE1 3.53Å; R156-E203 PolarHBondContact NH1-OE1 3.39Å; R156-E203 IonicContact NH2-OE1 3.13Å; R156-E203 PolarHBondContact NH2-OE1 2.83Å; R156-E203 IonicContact NH2-OE2 3.42Å; S199-E203 PolarHBondContact O-N 3.07Å; L200-E203 PolarHBondContact O-N 3.41Å
204	L	97.6	Very high	98.1	Very high	17 Å²	17	31 Å²	31	9%	0.089	16%	0.157	C	C	.	.	H	α-helix	trans	-87.5	-6.7	-175.8	-57.1	-179.9	0	0	0	113.5	M155 R156 Q159 L200 V206	M155-L204 HydrophobicContact CB-CD1 3.95Å; M155-L204 HydrophobicContact CE-CD1 4.41Å; R156-L204 HydrophobicContact CG-CD1 4.31Å; Q159-L204 HydrophobicContact CB-CD1 4.43Å; Q159-L204 HydrophobicContact CB-CD2 4.35Å; Q159-L204 HydrophobicContact CG-CB 4.36Å; Q159-L204 HydrophobicContact CG-CD2 4.19Å; Q159-L204 PolarHBondContact NE2-O 2.85Å; Q159-L204 PolarHBondContact OE1-O 2.89Å; L200-L204 HydrophobicContact CD1-CD1 3.8Å; L200-L204 HydrophobicContact CD1-CD2 4.38Å; L200-L204 HydrophobicContact CD1-CG 3.87Å; L200-L204 HydrophobicContact CD2-CD1 4.5Å; L200-L204 HydrophobicContact CG-CD1 3.86Å; L200-L204 HydrophobicContact CG-CG 4.25Å; L200-L204 WeakPolarHBondContact O-CB 3.45Å; L200-L204 WeakPolarHBondContact O-CG 3.06Å; L200-L204 PolarHBondContact O-N 3.26Å; L204-V206 VanDerWaalsContact C-N 3.35Å; L204-V206 HydrophobicContact CB-CB 4.44Å; L204-V206 HydrophobicContact CB-CG1 3.93Å
205	D	96.7	Very high	98.1	Very high	116 Å²	116	31.6 Å²	31.6	62%	0.62	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	49.3	-172.1	-169.2	30.2	0	0	0	112.7	A201 S233	A201-D205 WeakPolarHBondContact O-CA 3.5Å; A201-D205 PolarHBondContact O-N 2.97Å; A201-D205 VanDerWaalsContact O-N 3.07Å; D205-S233 WeakPolarHBondContact OD1-CB 3.5Å; D205-S233 PolarHBondContact OD1-OG 2.89Å
206	V	97.6	Very high	98	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	17%	0.17	C	C	.	.			trans	-128.6	145.8	-175.5	74.3	0	0	0	0	111.7	M155 A163 V166 A201 L204 V208	M155-V206 HydrophobicContact CE-CG1 4.07Å; A163-V206 VanDerWaalsContact O-CG2 3.29Å; A163-V206 WeakPolarHBondContact O-CG2 3.5Å; V166-V206 HydrophobicContact CG2-CG2 3.8Å; A201-V206 PolarHBondContact O-N 2.85Å; L204-V206 VanDerWaalsContact C-N 3.35Å; L204-V206 HydrophobicContact CB-CB 4.44Å; L204-V206 HydrophobicContact CB-CG1 3.93Å; V206-V208 HydrophobicContact CG1-CG2 4.21Å
207	W	98.6	Very high	97.7	Very high	35 Å²	35	33.8 Å²	33.8	13%	0.133	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	148.9	170.2	-77.9	51	0	0	0	110.9	R164 M165 V166 I230 I231 D232 V238 N274 T275 P276	R164-W207 PolarHBondContact O-N 2.96Å; M165-W207 CarbonylContact C-O 3.53Å; M165-W207 VanDerWaalsContact CA-O 3.26Å; M165-W207 WeakPolarHBondContact CA-O 3.41Å; M165-W207 HydrophobicContact CB-CB 4.02Å; M165-W207 HydrophobicContact CG-CB 3.77Å; M165-W207 HydrophobicContact SD-CB 4.17Å; V166-W207 PolarHBondContact N-O 2.85Å; W207-I230 HydrophobicContact CE3-CG2 3.91Å; W207-I230 HydrophobicContact CZ3-CG2 4.1Å; W207-I231 WeakPolarHBondContact CA-O 3.49Å; W207-D232 HydrophobicContact CD2-CB 4.12Å; W207-D232 HydrophobicContact CE3-CB 4.48Å; W207-D232 HydrophobicContact CH2-CB 3.97Å; W207-D232 HydrophobicContact CZ2-CB 3.53Å; W207-D232 HydrophobicContact CZ3-CB 4.41Å; W207-V238 HydrophobicContact CE3-CG2 4.5Å; W207-V238 HydrophobicContact CH2-CG2 4.14Å; W207-V238 HydrophobicContact CZ3-CG2 3.69Å; W207-N274 WeakPolarHBondContact CH2-O 3.12Å; W207-T275 HydrophobicContact CE3-CG2 3.9Å; W207-T275 HydrophobicContact CZ3-CG2 3.67Å; W207-P276 HydrophobicContact CD2-CG 4Å; W207-P276 HydrophobicContact CG-CG 3.97Å; W207-P276 HydrophobicContact CZ2-CG 4.26Å
208	V	98.7	Very high	97.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.9	-176.9	-170.9	0	0	0	0	111.1	M155 V166 F168 A201 V206 L210 I230 I231	M155-V208 HydrophobicContact CE-CG2 3.49Å; M155-V208 VanDerWaalsContact CE-CG2 3.49Å; M155-V208 HydrophobicContact SD-CG2 4.36Å; V166-V208 CarbonylContact O-C 3.59Å; V166-V208 WeakPolarHBondContact O-CA 3.19Å; F168-V208 HydrophobicContact CD2-CG1 3.95Å; F168-V208 HydrophobicContact CE2-CG1 4.15Å; A201-V208 HydrophobicContact CB-CG2 3.75Å; V206-V208 HydrophobicContact CG1-CG2 4.21Å; V208-L210 HydrophobicContact CG1-CD2 3.56Å; V208-L210 HydrophobicContact CG1-CG 4.14Å; V208-I230 WeakPolarHBondContact O-CA 3.42Å; V208-I231 HydrophobicContact CB-CB 4.43Å; V208-I231 PolarHBondContact N-O 2.98Å; V208-I231 PolarHBondContact O-N 2.85Å
209	S	98.8	Very high	96.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	104.9	169.8	158.5	0	0	0	0	108.9	V166 F167 F168 G211 H228	V166-S209 PolarHBondContact O-N 2.96Å; F167-S209 WeakPolarHBondContact CD1-OG 3.26Å; F168-S209 PolarHBondContact N-O 3.26Å; S209-G211 PolarHBondContact O-N 3.23Å; S209-H228 PolarHBondContact OG-NE2 2.88Å
210	L	98.8	Very high	96.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	98.1	175.6	-61.9	-173.4	0	0	0	108.8	F168 F172 I194 F197 V208 G212 H228 L229 I231	F168-L210 HydrophobicContact CD2-CD2 4.07Å; F172-L210 HydrophobicContact CD1-CB 4.43Å; F172-L210 HydrophobicContact CE1-CB 3.59Å; F172-L210 HydrophobicContact CE1-CD2 4.38Å; F172-L210 HydrophobicContact CE1-CG 4.41Å; F172-L210 HydrophobicContact CE2-CD1 4.45Å; F172-L210 HydrophobicContact CE2-CD2 4.01Å; F172-L210 HydrophobicContact CZ-CB 3.7Å; F172-L210 HydrophobicContact CZ-CD1 3.9Å; F172-L210 HydrophobicContact CZ-CD2 3.93Å; F172-L210 HydrophobicContact CZ-CG 4.05Å; I194-L210 HydrophobicContact CD1-CD1 4.06Å; F197-L210 HydrophobicContact CB-CD1 4.07Å; F197-L210 HydrophobicContact CB-CD2 4.41Å; F197-L210 HydrophobicContact CD1-CD2 3.45Å; F197-L210 VanDerWaalsContact CD1-CD2 3.45Å; F197-L210 HydrophobicContact CD2-CD1 4.32Å; F197-L210 HydrophobicContact CD2-CD2 4.38Å; F197-L210 HydrophobicContact CE1-CD2 3.67Å; F197-L210 HydrophobicContact CG-CD1 4.05Å; F197-L210 HydrophobicContact CG-CD2 3.82Å; F197-L210 HydrophobicContact CZ-CD2 4.25Å; V208-L210 HydrophobicContact CG1-CD2 3.56Å; V208-L210 HydrophobicContact CG1-CG 4.14Å; L210-G212 PolarHBondContact O-N 2.9Å; L210-H228 CarbonylContact O-C 3.42Å; L210-H228 VanDerWaalsContact O-CA 3.23Å; L210-H228 WeakPolarHBondContact O-CA 3.44Å; L210-H228 PolarHBondContact O-CD2 3.04Å; L210-H228 VanDerWaalsContact O-CD2 3.23Å; L210-L229 HydrophobicContact CB-CB 4.21Å; L210-L229 HydrophobicContact CD1-CD1 4.44Å; L210-L229 PolarHBondContact N-O 2.99Å; L210-L229 PolarHBondContact O-N 3.28Å; L210-I231 HydrophobicContact CD1-CD1 3.53Å; L210-I231 HydrophobicContact CG-CD1 4.12Å
211	G	98.1	Very high	96	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-6.5	-156.1	0	0	0	0	0	118.6	F168 S209 T284 P308	F168-G211 VanDerWaalsContact O-CA 3.28Å; F168-G211 WeakPolarHBondContact O-CA 2.89Å; F168-G211 PolarHBondContact O-N 3.31Å; S209-G211 PolarHBondContact O-N 3.23Å; G211-T284 PolarHBondContact O-OG1 3.25Å; G211-P308 WeakPolarHBondContact O-CB 3.02Å; G211-P308 WeakPolarHBondContact O-CG 3.26Å
212	G	97.4	Very high	95.7	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.7	93.6	-179.7	0	0	0	0	0	110.3	C171 L210 N226 S227	C171-G212 WeakPolarHBondContact CA-O 3.45Å; C171-G212 PolarHBondContact N-O 3.47Å; L210-G212 PolarHBondContact O-N 2.9Å; G212-N226 WeakPolarHBondContact CA-OD1 3.18Å; G212-S227 CarbonylContact C-O 3.52Å; G212-S227 VanDerWaalsContact CA-O 3.26Å; G212-S227 WeakPolarHBondContact CA-O 3.45Å
213	F	97.8	Very high	95.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	158.6	171.7	78.3	-80.5	0	0	0	110.6	F172 D173 L187 I194 E215 S227 L229	F172-F213 HydrophobicContact CE1-CB 3.63Å; F172-F213 HydrophobicContact CZ-CB 3.76Å; D173-F213 HydrophobicContact CB-CB 4.34Å; L187-F213 HydrophobicContact CB-CD2 4.03Å; L187-F213 HydrophobicContact CB-CE2 4.28Å; I194-F213 HydrophobicContact CD1-CD1 4.33Å; I194-F213 HydrophobicContact CD1-CD2 4.28Å; I194-F213 HydrophobicContact CD1-CG 4.14Å; F213-E215 HydrophobicContact CD2-CB 4.25Å; F213-E215 HydrophobicContact CE1-CB 4.39Å; F213-E215 VanDerWaalsContact CE2-CA 3.48Å; F213-E215 HydrophobicContact CE2-CB 3.54Å; F213-E215 HydrophobicContact CE2-CG 4.08Å; F213-E215 HydrophobicContact CZ-CB 3.61Å; F213-E215 HydrophobicContact CZ-CG 3.93Å; F213-E215 PolarHBondContact O-N 3.05Å; F213-S227 WeakPolarHBondContact CD1-O 3.42Å; F213-S227 VanDerWaalsContact CE1-CB 3.43Å; F213-S227 PolarHBondContact N-O 3.13Å; F213-S227 PolarHBondContact O-N 2.91Å; F213-L229 HydrophobicContact CD1-CD1 4.03Å; F213-L229 HydrophobicContact CD1-CG 4.09Å; F213-L229 HydrophobicContact CE1-CD1 3.44Å; F213-L229 VanDerWaalsContact CE1-CD1 3.44Å; F213-L229 HydrophobicContact CE1-CD2 3.99Å; F213-L229 HydrophobicContact CE1-CG 3.56Å; F213-L229 HydrophobicContact CZ-CD1 4.13Å
214	H	97.7	Very high	95.5	Very high	10 Å²	10	49.5 Å²	49.5	5%	0.046	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	90.9	175.8	-60.3	86.3	0	0	0	109.9	D173 Y174 E176 A186 L187 V224 Y225	D173-H214 IonicContact OD1-CE1 2.69Å; D173-H214 IonicContact OD1-ND1 2.76Å; D173-H214 PolarHBondContact OD1-ND1 2.94Å; D173-H214 IonicContact OD2-CG 3.76Å; D173-H214 PolarHBondContact OD2-N 2.95Å; D173-H214 IonicContact OD2-ND1 3.52Å; D173-H214 PolarHBondContact OD2-ND1 3.4Å; D173-H214 VanDerWaalsContact OD2-ND1 3.13Å; Y174-H214 AromaticContact CD1-ND1 4Å; Y174-H214 HydrophobicContact CE1-CB 3.86Å; Y174-H214 AromaticContact CE1-CG 3.86Å; Y174-H214 AromaticContact CE1-ND1 3.54Å; Y174-H214 AromaticContact CE2-CE1 3.95Å; Y174-H214 AromaticContact CE2-ND1 3.84Å; Y174-H214 AromaticContact CZ-CG 3.5Å; Y174-H214 VanDerWaalsContact CZ-CG 3.5Å; Y174-H214 AromaticContact CZ-ND1 3.44Å; Y174-H214 PolarHBondContact O-CE1 2.62Å; Y174-H214 VanDerWaalsContact O-CE1 3.31Å; Y174-H214 WeakPolarHBondContact OH-CB 3.46Å; E176-H214 IonicContact OE2-CE1 2.9Å; E176-H214 IonicContact OE2-NE2 3.19Å; A186-H214 WeakPolarHBondContact CA-O 3.29Å; L187-H214 PolarHBondContact N-O 3.12Å; H214-V224 HydrophobicContact CB-CG2 4.38Å; H214-Y225 CarbonylContact C-O 3.56Å
215	E	97.4	Very high	95.4	Very high	13 Å²	13	49.4 Å²	49.4	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121.4	179.1	-179.5	-173	-166.4	0	0	110.6	L187 F213 C217 V224 Y225 S227 K240 R242	L187-E215 WeakPolarHBondContact O-CA 3.36Å; F213-E215 HydrophobicContact CD2-CB 4.25Å; F213-E215 HydrophobicContact CE1-CB 4.39Å; F213-E215 VanDerWaalsContact CE2-CA 3.48Å; F213-E215 HydrophobicContact CE2-CB 3.54Å; F213-E215 HydrophobicContact CE2-CG 4.08Å; F213-E215 HydrophobicContact CZ-CB 3.61Å; F213-E215 HydrophobicContact CZ-CG 3.93Å; F213-E215 PolarHBondContact O-N 3.05Å; E215-C217 PolarHBondContact O-N 2.92Å; E215-V224 CarbonylContact O-C 3.53Å; E215-V224 WeakPolarHBondContact O-CA 3.29Å; E215-V224 WeakPolarHBondContact O-CB 3.14Å; E215-Y225 PolarHBondContact N-O 3.39Å; E215-Y225 PolarHBondContact O-N 2.98Å; E215-S227 WeakPolarHBondContact CB-OG 3.23Å; E215-S227 WeakPolarHBondContact OE2-CB 3.5Å; E215-S227 PolarHBondContact OE2-OG 3.04Å; E215-K240 IonicContact OE1-NZ 3.33Å; E215-K240 PolarHBondContact OE1-NZ 2.91Å; E215-R242 VanDerWaalsContact CD-NH2 3.26Å; E215-R242 IonicContact OE1-CZ 3.6Å; E215-R242 IonicContact OE1-NE 2.86Å; E215-R242 IonicContact OE1-NH2 2.94Å; E215-R242 PolarHBondContact OE1-NH2 2.97Å; E215-R242 IonicContact OE2-CZ 3.62Å; E215-R242 IonicContact OE2-NE 2.74Å; E215-R242 PolarHBondContact OE2-NE 3.08Å; E215-R242 IonicContact OE2-NH2 2.69Å; E215-R242 PolarHBondContact OE2-NH2 3.28Å
216	K	96.4	Very high	95.5	Very high	108 Å²	108	44.2 Å²	44.2	47%	0.47	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	126.6	175.3	-172.2	168.2	-174.8	167.7	0	111.2	A186 L187 T188	A186-K216 HydrophobicContact CB-CB 3.98Å; A186-K216 HydrophobicContact CB-CG 4.47Å; L187-K216 PolarHBondContact O-N 3.4Å; T188-K216 HydrophobicContact CG2-CB 4.29Å; T188-K216 HydrophobicContact CG2-CD 4.49Å
217	C	92.8	Very high	95.5	Very high	10 Å²	10	44.2 Å²	44.2	7%	0.068	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-86.9	124	171.2	-173.9	0	0	0	0	110.4	E215 Q219 D220 R223 Y225 L264	E215-C217 PolarHBondContact O-N 2.92Å; C217-Q219 VanDerWaalsContact C-N 3.29Å; C217-Q219 PolarHBondContact SG-N 3.34Å; C217-D220 HydrophobicContact CB-CB 4.34Å; C217-D220 PolarHBondContact SG-N 2.86Å; C217-D220 VanDerWaalsContact SG-N 3.39Å; C217-R223 WeakPolarHBondContact CB-O 3.28Å; C217-Y225 HydrophobicContact CB-CD2 4.14Å; C217-Y225 HydrophobicContact CB-CE2 3.81Å; C217-L264 HydrophobicContact CB-CD1 3.94Å
218	H	89.3	Confident	95.5	Very high	164 Å²	164	42.5 Å²	42.5	76%	0.759	21%	0.205	S	C	*	.	S	Bend	trans	-75.5	-19	175.9	-65.3	-66.9	0	0	0	113.4
219	Q	88.3	Confident	95.5	Very high	181 Å²	181	42.5 Å²	42.5	85%	0.846	21%	0.205	S	C	*	.	S	Bend	trans	-97.1	-17.5	-177	-64.4	174.7	-3.3	0	0	112.9	C217	C217-Q219 VanDerWaalsContact C-N 3.29Å; C217-Q219 PolarHBondContact SG-N 3.34Å
220	D	89.8	Confident	95.5	Very high	32 Å²	32	42.5 Å²	42.5	17%	0.171	21%	0.205	C	C	.	.			trans	-135.7	108.2	-180	-170.4	-25.2	0	0	0	109	C217 K222 R223 L264	C217-D220 HydrophobicContact CB-CB 4.34Å; C217-D220 PolarHBondContact SG-N 2.86Å; C217-D220 VanDerWaalsContact SG-N 3.39Å; D220-K222 PolarHBondContact O-N 3.43Å; D220-K222 WeakPolarHBondContact OD1-CB 3.21Å; D220-K222 PolarHBondContact OD1-N 2.78Å; D220-R223 VanDerWaalsContact O-O 3.13Å; D220-R223 PolarHBondContact OD1-N 2.98Å; D220-R223 IonicContact OD2-CZ 3.79Å; D220-R223 VanDerWaalsContact OD2-CZ 3.26Å; D220-R223 IonicContact OD2-NE 3.98Å; D220-R223 PolarHBondContact OD2-NE 2.87Å; D220-R223 IonicContact OD2-NH2 2.83Å; D220-R223 PolarHBondContact OD2-NH2 3.02Å; D220-L264 HydrophobicContact CB-CD1 3.97Å
221	S	90.2	Very high	95.5	Very high	106 Å²	106	42.5 Å²	42.5	74%	0.741	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	1.1	-179	71.3	0	0	0	0	113.7	V183	V183-S221 WeakPolarHBondContact CG1-O 3.2Å
222	K	92.2	Very high	95.5	Very high	164 Å²	164	43.7 Å²	43.7	71%	0.713	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-11.9	-178.1	-61.9	-178.1	-179.6	179.1	0	112.8	V183 D220	V183-K222 VanDerWaalsContact CG2-O 3.23Å; V183-K222 WeakPolarHBondContact CG2-O 3.03Å; D220-K222 PolarHBondContact O-N 3.43Å; D220-K222 WeakPolarHBondContact OD1-CB 3.21Å; D220-K222 PolarHBondContact OD1-N 2.78Å
223	R	94.3	Very high	95.5	Very high	80 Å²	80	44.9 Å²	44.9	30%	0.302	22%	0.219	S	C	.	.			trans	-137.2	154.8	-176.1	-63.9	-174.2	-70.4	177.6	-3.5	111.9	C217 D220 S260 Y262 L264	C217-R223 WeakPolarHBondContact CB-O 3.28Å; D220-R223 VanDerWaalsContact O-O 3.13Å; D220-R223 PolarHBondContact OD1-N 2.98Å; D220-R223 IonicContact OD2-CZ 3.79Å; D220-R223 VanDerWaalsContact OD2-CZ 3.26Å; D220-R223 IonicContact OD2-NE 3.98Å; D220-R223 PolarHBondContact OD2-NE 2.87Å; D220-R223 IonicContact OD2-NH2 2.83Å; D220-R223 PolarHBondContact OD2-NH2 3.02Å; R223-S260 WeakPolarHBondContact CD-O 3.4Å; R223-Y262 CarbonylContact C-O 3.57Å; R223-Y262 WeakPolarHBondContact CA-O 3.39Å; R223-Y262 WeakPolarHBondContact CB-O 3.47Å; R223-L264 HydrophobicContact CB-CD1 4.3Å; R223-L264 HydrophobicContact CB-CG 3.94Å; R223-L264 VanDerWaalsContact NH2-CD2 3.29Å
224	V	96.1	Very high	95.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	170.3	176.5	-61.2	0	0	0	0	110.6	S182 V183 A186 H214 E215 Y262 T263 L264	S182-V224 WeakPolarHBondContact O-CG1 3.44Å; V183-V224 HydrophobicContact CG2-CG1 4.45Å; A186-V224 HydrophobicContact CB-CG1 3.53Å; H214-V224 HydrophobicContact CB-CG2 4.38Å; E215-V224 CarbonylContact O-C 3.53Å; E215-V224 WeakPolarHBondContact O-CA 3.29Å; E215-V224 WeakPolarHBondContact O-CB 3.14Å; V224-Y262 PolarHBondContact N-O 3.19Å; V224-T263 CarbonylContact O-C 3.53Å; V224-T263 VanDerWaalsContact O-CA 3.23Å; V224-T263 WeakPolarHBondContact O-CA 3.4Å; V224-L264 PolarHBondContact O-N 3.14Å
225	Y	97.3	Very high	95.4	Very high	15 Å²	15	48.2 Å²	48.2	6%	0.059	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	153.5	159.6	-61.9	-83.3	0	0	0	109.7	H214 E215 C217 R242 L264	H214-Y225 CarbonylContact C-O 3.56Å; E215-Y225 PolarHBondContact N-O 3.39Å; E215-Y225 PolarHBondContact O-N 2.98Å; C217-Y225 HydrophobicContact CB-CD2 4.14Å; C217-Y225 HydrophobicContact CB-CE2 3.81Å; Y225-R242 HydrophobicContact CD1-CB 4.42Å; Y225-R242 HydrophobicContact CD1-CG 4.17Å; Y225-R242 HydrophobicContact CG-CG 4.18Å; Y225-L264 HydrophobicContact CD1-CB 3.53Å; Y225-L264 WeakPolarHBondContact CD1-O 3.33Å; Y225-L264 HydrophobicContact CE1-CB 3.37Å; Y225-L264 HydrophobicContact CE1-CD1 4.03Å; Y225-L264 HydrophobicContact CE1-CG 4.3Å; Y225-L264 HydrophobicContact CE2-CD1 4.09Å; Y225-L264 HydrophobicContact CG-CB 4.29Å
226	N	97.7	Very high	95.4	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.043	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	107.1	165	-178.6	-21.1	0	0	0	108	E170 G212 R242 K243 T263	E170-N226 PolarHBondContact OE1-ND2 2.92Å; G212-N226 WeakPolarHBondContact CA-OD1 3.18Å; N226-R242 CarbonylContact O-C 3.58Å; N226-R242 WeakPolarHBondContact O-CA 3.43Å; N226-K243 HydrophobicContact CB-CB 3.88Å; N226-K243 HydrophobicContact CB-CD 4.17Å; N226-K243 WeakPolarHBondContact ND2-CD 3.13Å; N226-K243 PolarHBondContact O-N 3.27Å; N226-T263 HydrophobicContact CB-CG2 4.15Å
227	S	98.2	Very high	95.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.7	-164.4	-69.7	0	0	0	0	112.4	G212 F213 E215 Y241 R242	G212-S227 CarbonylContact C-O 3.52Å; G212-S227 VanDerWaalsContact CA-O 3.26Å; G212-S227 WeakPolarHBondContact CA-O 3.45Å; F213-S227 WeakPolarHBondContact CD1-O 3.42Å; F213-S227 VanDerWaalsContact CE1-CB 3.43Å; F213-S227 PolarHBondContact N-O 3.13Å; F213-S227 PolarHBondContact O-N 2.91Å; E215-S227 WeakPolarHBondContact CB-OG 3.23Å; E215-S227 WeakPolarHBondContact OE2-CB 3.5Å; E215-S227 PolarHBondContact OE2-OG 3.04Å; S227-Y241 CarbonylContact C-O 3.55Å; S227-Y241 VanDerWaalsContact CA-O 3.28Å; S227-Y241 WeakPolarHBondContact CA-O 3.46Å; S227-R242 WeakPolarHBondContact OG-CG 3.33Å
228	H	98.6	Very high	95.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.8	175.5	-179.1	173.6	0	0	0	109.7	S209 L210 I230 K240 Y241 S283 S306 P308	S209-H228 PolarHBondContact OG-NE2 2.88Å; L210-H228 CarbonylContact O-C 3.42Å; L210-H228 VanDerWaalsContact O-CA 3.23Å; L210-H228 WeakPolarHBondContact O-CA 3.44Å; L210-H228 PolarHBondContact O-CD2 3.04Å; L210-H228 VanDerWaalsContact O-CD2 3.23Å; H228-I230 WeakPolarHBondContact NE2-CD1 3.01Å; H228-K240 WeakPolarHBondContact O-CA 3.34Å; H228-Y241 HydrophobicContact CB-CD1 4.07Å; H228-Y241 PolarHBondContact N-O 3.17Å; H228-Y241 PolarHBondContact O-N 3.46Å; H228-S283 PolarHBondContact ND1-O 3.38Å; H228-S306 PolarHBondContact CE1-OG 2.87Å; H228-S306 VanDerWaalsContact CE1-OG 3.26Å; H228-P308 WeakPolarHBondContact ND1-CG 3.23Å
229	L	98.5	Very high	95.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.3	178.1	-54.2	177.9	0	0	0	112	E189 I194 L210 F213 V237 L239 K240	E189-L229 HydrophobicContact CG-CD1 4.04Å; I194-L229 HydrophobicContact CG2-CD1 4.13Å; L210-L229 HydrophobicContact CB-CB 4.21Å; L210-L229 HydrophobicContact CD1-CD1 4.44Å; L210-L229 PolarHBondContact N-O 2.99Å; L210-L229 PolarHBondContact O-N 3.28Å; F213-L229 HydrophobicContact CD1-CD1 4.03Å; F213-L229 HydrophobicContact CD1-CG 4.09Å; F213-L229 HydrophobicContact CE1-CD1 3.44Å; F213-L229 VanDerWaalsContact CE1-CD1 3.44Å; F213-L229 HydrophobicContact CE1-CD2 3.99Å; F213-L229 HydrophobicContact CE1-CG 3.56Å; F213-L229 HydrophobicContact CZ-CD1 4.13Å; L229-V237 HydrophobicContact CD1-CG2 4.31Å; L229-V237 HydrophobicContact CD2-CG1 4.03Å; L229-L239 WeakPolarHBondContact CA-O 3.41Å; L229-K240 HydrophobicContact CD2-CB 3.75Å; L229-K240 HydrophobicContact CD2-CD 4.28Å; L229-K240 HydrophobicContact CD2-CG 3.69Å
230	I	98.6	Very high	96.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.6	163.1	-50.1	-57.4	0	0	0	108.5	M165 W207 V208 H228 V237 V238 L239 V273 L280	M165-I230 HydrophobicContact CE-CD1 4.06Å; M165-I230 HydrophobicContact CE-CG2 3.82Å; W207-I230 HydrophobicContact CE3-CG2 3.91Å; W207-I230 HydrophobicContact CZ3-CG2 4.1Å; V208-I230 WeakPolarHBondContact O-CA 3.42Å; H228-I230 WeakPolarHBondContact NE2-CD1 3.01Å; I230-V237 CarbonylContact O-C 3.5Å; I230-V237 WeakPolarHBondContact O-CA 3.17Å; I230-V238 HydrophobicContact CB-CG2 3.97Å; I230-V238 HydrophobicContact CG2-CG2 3.73Å; I230-V238 WeakPolarHBondContact O-CG2 3.28Å; I230-V238 PolarHBondContact O-N 3.49Å; I230-L239 HydrophobicContact CB-CB 3.87Å; I230-L239 HydrophobicContact CG1-CB 3.79Å; I230-L239 HydrophobicContact CG1-CD2 3.78Å; I230-L239 HydrophobicContact CG1-CG 4.24Å; I230-L239 PolarHBondContact N-O 3.01Å; I230-V273 HydrophobicContact CG2-CG1 4.41Å; I230-L280 HydrophobicContact CD1-CD2 3.61Å; I230-L280 HydrophobicContact CG1-CD2 4.11Å
231	I	98.5	Very high	96.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.6	-179.5	-59.9	173	0	0	0	108.5	F197 R198 A201 W207 V208 L210 N236 V237	F197-I231 HydrophobicContact CB-CD1 4.33Å; R198-I231 HydrophobicContact CG-CD1 3.99Å; R198-I231 HydrophobicContact CG-CG2 4.3Å; A201-I231 HydrophobicContact CB-CG2 4.22Å; W207-I231 WeakPolarHBondContact CA-O 3.49Å; V208-I231 HydrophobicContact CB-CB 4.43Å; V208-I231 PolarHBondContact N-O 2.98Å; V208-I231 PolarHBondContact O-N 2.85Å; L210-I231 HydrophobicContact CD1-CD1 3.53Å; L210-I231 HydrophobicContact CG-CD1 4.12Å; I231-N236 CarbonylContact C-O 3.53Å; I231-N236 VanDerWaalsContact CA-O 3.32Å; I231-N236 WeakPolarHBondContact CA-O 3.35Å; I231-V237 HydrophobicContact CG1-CG2 4.01Å
232	D	98.2	Very high	97	Very high	24 Å²	24	31.8 Å²	31.8	13%	0.128	16%	0.163	C	C	.	.			trans	-76.6	167.5	174.3	71.3	19.2	0	0	0	112.3	W207 S234 G235 N236 V238	W207-D232 HydrophobicContact CD2-CB 4.12Å; W207-D232 HydrophobicContact CE3-CB 4.48Å; W207-D232 HydrophobicContact CH2-CB 3.97Å; W207-D232 HydrophobicContact CZ2-CB 3.53Å; W207-D232 HydrophobicContact CZ3-CB 4.41Å; D232-S234 PolarHBondContact O-N 2.88Å; D232-S234 VanDerWaalsContact OD1-CA 3.27Å; D232-S234 WeakPolarHBondContact OD1-CA 3.43Å; D232-S234 VanDerWaalsContact OD1-CB 3.28Å; D232-S234 WeakPolarHBondContact OD1-CB 3.32Å; D232-S234 PolarHBondContact OD1-N 2.85Å; D232-G235 PolarHBondContact O-N 3.49Å; D232-G235 PolarHBondContact OD1-N 2.89Å; D232-N236 PolarHBondContact N-O 2.89Å; D232-N236 PolarHBondContact OD1-N 3.24Å; D232-N236 PolarHBondContact OD1-ND2 3.23Å; D232-N236 WeakPolarHBondContact OD2-CB 3.15Å; D232-N236 PolarHBondContact OD2-ND2 3.2Å; D232-V238 HydrophobicContact CB-CG1 3.9Å
233	S	97.2	Very high	97.3	Very high	27 Å²	27	24.2 Å²	24.2	19%	0.189	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-2.7	177.8	69.3	0	0	0	0	114.5	K202 D205	K202-S233 WeakPolarHBondContact CA-O 3.47Å; D205-S233 WeakPolarHBondContact OD1-CB 3.5Å; D205-S233 PolarHBondContact OD1-OG 2.89Å
234	S	97.4	Very high	97.4	Very high	69 Å²	69	22 Å²	22	48%	0.483	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-3.3	169.9	-64.4	0	0	0	0	112.9	D232 N236	D232-S234 PolarHBondContact O-N 2.88Å; D232-S234 VanDerWaalsContact OD1-CA 3.27Å; D232-S234 WeakPolarHBondContact OD1-CA 3.43Å; D232-S234 VanDerWaalsContact OD1-CB 3.28Å; D232-S234 WeakPolarHBondContact OD1-CB 3.32Å; D232-S234 PolarHBondContact OD1-N 2.85Å; S234-N236 WeakPolarHBondContact CB-ND2 3.26Å
235	G	96.2	Very high	97.5	Very high	10 Å²	10	24.4 Å²	24.4	10%	0.103	14%	0.135	C	C	.	.	S	Bend	trans	86.1	11	-178.1	0	0	0	0	0	114.4	R198 D232	R198-G235 WeakPolarHBondContact CD-O 3.4Å; R198-G235 VanDerWaalsContact CG-O 3.3Å; R198-G235 WeakPolarHBondContact CG-O 3.18Å; D232-G235 PolarHBondContact O-N 3.49Å; D232-G235 PolarHBondContact OD1-N 2.89Å
236	N	97.5	Very high	97.4	Very high	91 Å²	91	24.7 Å²	24.7	49%	0.487	14%	0.137	S	C	.	.			trans	-88.8	139.1	178.3	-47.9	-69.2	0	0	0	110.9	I231 D232 S234 V238	I231-N236 CarbonylContact C-O 3.53Å; I231-N236 VanDerWaalsContact CA-O 3.32Å; I231-N236 WeakPolarHBondContact CA-O 3.35Å; D232-N236 PolarHBondContact N-O 2.89Å; D232-N236 PolarHBondContact OD1-N 3.24Å; D232-N236 PolarHBondContact OD1-ND2 3.23Å; D232-N236 WeakPolarHBondContact OD2-CB 3.15Å; D232-N236 PolarHBondContact OD2-ND2 3.2Å; S234-N236 WeakPolarHBondContact CB-ND2 3.26Å; N236-V238 PolarHBondContact O-N 3.06Å
237	V	97.1	Very high	97.2	Very high	38 Å²	38	26 Å²	26	23%	0.23	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	115.7	167.8	174.5	0	0	0	0	108.9	E189 R198 L229 I230 I231	E189-V237 HydrophobicContact CG-CG2 4.4Å; E189-V237 WeakPolarHBondContact OE1-CB 3.29Å; E189-V237 WeakPolarHBondContact OE1-CG2 3.39Å; R198-V237 VanDerWaalsContact NH2-CG2 3.32Å; L229-V237 HydrophobicContact CD1-CG2 4.31Å; L229-V237 HydrophobicContact CD2-CG1 4.03Å; I230-V237 CarbonylContact O-C 3.5Å; I230-V237 WeakPolarHBondContact O-CA 3.17Å; I231-V237 HydrophobicContact CG1-CG2 4.01Å
238	V	96.2	Very high	96.8	Very high	46 Å²	46	29.5 Å²	29.5	28%	0.279	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-18.5	-179.2	-63.1	0	0	0	0	113.1	W207 I230 D232 N236 V273	W207-V238 HydrophobicContact CE3-CG2 4.5Å; W207-V238 HydrophobicContact CH2-CG2 4.14Å; W207-V238 HydrophobicContact CZ3-CG2 3.69Å; I230-V238 HydrophobicContact CB-CG2 3.97Å; I230-V238 HydrophobicContact CG2-CG2 3.73Å; I230-V238 WeakPolarHBondContact O-CG2 3.28Å; I230-V238 PolarHBondContact O-N 3.49Å; D232-V238 HydrophobicContact CB-CG1 3.9Å; N236-V238 PolarHBondContact O-N 3.06Å; V238-V273 HydrophobicContact CB-CG2 4.13Å; V238-V273 HydrophobicContact CG2-CG1 4.45Å; V238-V273 HydrophobicContact CG2-CG2 4Å
239	L	95.6	Very high	96.2	Very high	13 Å²	13	31 Å²	31	7%	0.068	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	135.2	175.9	-177.3	68.1	0	0	0	109.2	L229 I230 P270 V273 A282	L229-L239 WeakPolarHBondContact CA-O 3.41Å; I230-L239 HydrophobicContact CB-CB 3.87Å; I230-L239 HydrophobicContact CG1-CB 3.79Å; I230-L239 HydrophobicContact CG1-CD2 3.78Å; I230-L239 HydrophobicContact CG1-CG 4.24Å; I230-L239 PolarHBondContact N-O 3.01Å; L239-P270 HydrophobicContact CD1-CB 3.59Å; L239-P270 HydrophobicContact CD1-CG 3.95Å; L239-V273 HydrophobicContact CB-CB 4.28Å; L239-V273 HydrophobicContact CB-CG1 4.04Å; L239-V273 HydrophobicContact CD2-CB 4.39Å; L239-V273 HydrophobicContact CD2-CG1 3.92Å; L239-A282 HydrophobicContact CD2-CB 3.55Å; L239-A282 HydrophobicContact CG-CB 4.35Å
240	K	96.9	Very high	95.6	Very high	35 Å²	35	35.4 Å²	35.4	15%	0.152	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.4	165.8	175.2	-175.8	-68.7	-175.3	0	107.9	E189 E215 H228 L229	E189-K240 WeakPolarHBondContact OE2-CE 3.24Å; E189-K240 IonicContact OE2-NZ 3.04Å; E189-K240 PolarHBondContact OE2-NZ 3.49Å; E215-K240 IonicContact OE1-NZ 3.33Å; E215-K240 PolarHBondContact OE1-NZ 2.91Å; H228-K240 WeakPolarHBondContact O-CA 3.34Å; L229-K240 HydrophobicContact CD2-CB 3.75Å; L229-K240 HydrophobicContact CD2-CD 4.28Å; L229-K240 HydrophobicContact CD2-CG 3.69Å
241	Y	97.4	Very high	94.7	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.8	171.4	170.4	-98.9	0	0	0	108.7	S227 H228 K243 L244 P270 A282 S283 D287	S227-Y241 CarbonylContact C-O 3.55Å; S227-Y241 VanDerWaalsContact CA-O 3.28Å; S227-Y241 WeakPolarHBondContact CA-O 3.46Å; H228-Y241 HydrophobicContact CB-CD1 4.07Å; H228-Y241 PolarHBondContact N-O 3.17Å; H228-Y241 PolarHBondContact O-N 3.46Å; Y241-K243 HydrophobicContact CE1-CB 4.48Å; Y241-L244 HydrophobicContact CE2-CD1 3.76Å; Y241-L244 HydrophobicContact CE2-CG 3.8Å; Y241-L244 WeakPolarHBondContact OH-CB 3.36Å; Y241-L244 WeakPolarHBondContact OH-CD1 3.33Å; Y241-L244 VanDerWaalsContact OH-CG 3.23Å; Y241-L244 WeakPolarHBondContact OH-CG 3.34Å; Y241-L244 PolarHBondContact OH-N 3.49Å; Y241-P270 HydrophobicContact CD2-CG 3.87Å; Y241-A282 WeakPolarHBondContact CD2-O 3.19Å; Y241-A282 HydrophobicContact CG-CB 4.18Å; Y241-S283 VanDerWaalsContact CE1-CA 3.49Å; Y241-D287 WeakPolarHBondContact CE1-OD2 3.07Å; Y241-D287 PolarHBondContact OH-OD1 2.55Å; Y241-D287 VanDerWaalsContact OH-OD1 3.13Å; Y241-D287 PolarHBondContact OH-OD2 2.98Å
242	R	97.7	Very high	93.9	Very high	46 Å²	46	42.6 Å²	42.6	17%	0.174	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.8	170.7	-76.3	170.9	174.3	173	0.6	107.3	E215 Y225 N226 S227 L244 G266 E267	E215-R242 VanDerWaalsContact CD-NH2 3.26Å; E215-R242 IonicContact OE1-CZ 3.6Å; E215-R242 IonicContact OE1-NE 2.86Å; E215-R242 IonicContact OE1-NH2 2.94Å; E215-R242 PolarHBondContact OE1-NH2 2.97Å; E215-R242 IonicContact OE2-CZ 3.62Å; E215-R242 IonicContact OE2-NE 2.74Å; E215-R242 PolarHBondContact OE2-NE 3.08Å; E215-R242 IonicContact OE2-NH2 2.69Å; E215-R242 PolarHBondContact OE2-NH2 3.28Å; Y225-R242 HydrophobicContact CD1-CB 4.42Å; Y225-R242 HydrophobicContact CD1-CG 4.17Å; Y225-R242 HydrophobicContact CG-CG 4.18Å; N226-R242 CarbonylContact O-C 3.58Å; N226-R242 WeakPolarHBondContact O-CA 3.43Å; S227-R242 WeakPolarHBondContact OG-CG 3.33Å; R242-L244 PolarHBondContact O-N 3.38Å; R242-G266 VanDerWaalsContact CB-CA 3.48Å; R242-G266 WeakPolarHBondContact O-CA 3.44Å; R242-E267 IonicContact NH1-OE2 3.41Å
243	K	98.2	Very high	93	Very high	4 Å²	4	50 Å²	50	2%	0.017	28%	0.279	C	S	.	.			trans	-48.9	120.6	-177.5	-171.5	175.2	178.3	-173.7	0	111	E170 N226 Y241 H245 L246 E259 P265 G266 T284	E170-K243 IonicContact OE1-NZ 3.01Å; E170-K243 PolarHBondContact OE1-NZ 3.22Å; N226-K243 HydrophobicContact CB-CB 3.88Å; N226-K243 HydrophobicContact CB-CD 4.17Å; N226-K243 WeakPolarHBondContact ND2-CD 3.13Å; N226-K243 PolarHBondContact O-N 3.27Å; Y241-K243 HydrophobicContact CE1-CB 4.48Å; K243-H245 VanDerWaalsContact CE-O 3.31Å; K243-H245 WeakPolarHBondContact CE-O 3.18Å; K243-L246 HydrophobicContact CD-CD2 4.39Å; K243-L246 HydrophobicContact CG-CD2 4.39Å; K243-E259 VanDerWaalsContact NZ-CD 3.32Å; K243-E259 IonicContact NZ-OE1 3.98Å; K243-E259 PolarHBondContact NZ-OE1 2.8Å; K243-E259 IonicContact NZ-OE2 2.93Å; K243-E259 PolarHBondContact NZ-OE2 3.48Å; K243-P265 CarbonylContact O-C 3.59Å; K243-P265 WeakPolarHBondContact O-CA 3.47Å; K243-G266 PolarHBondContact O-N 3.27Å; K243-T284 HydrophobicContact CD-CG2 4.02Å; K243-T284 HydrophobicContact CG-CG2 4.48Å
244	L	96.7	Very high	92.1	Very high	34 Å²	34	56.5 Å²	56.5	18%	0.178	31%	0.307	C	S	.	.	S	Bend	trans	-83.7	-43.7	-174.1	-67.1	170	0	0	0	111.1	Y241 R242 G266 I269 L293	Y241-L244 HydrophobicContact CE2-CD1 3.76Å; Y241-L244 HydrophobicContact CE2-CG 3.8Å; Y241-L244 WeakPolarHBondContact OH-CB 3.36Å; Y241-L244 WeakPolarHBondContact OH-CD1 3.33Å; Y241-L244 VanDerWaalsContact OH-CG 3.23Å; Y241-L244 WeakPolarHBondContact OH-CG 3.34Å; Y241-L244 PolarHBondContact OH-N 3.49Å; R242-L244 PolarHBondContact O-N 3.38Å; L244-G266 WeakPolarHBondContact CD2-O 3.37Å; L244-I269 HydrophobicContact CD1-CD1 4.44Å; L244-I269 HydrophobicContact CD1-CG1 3.56Å; L244-L293 HydrophobicContact CD1-CD1 3.95Å
245	H	97.5	Very high	91	Very high	52 Å²	52	56.1 Å²	56.1	24%	0.241	30%	0.301	C	S	.	.	S	Bend	trans	-101.2	107.7	-177.2	-49.9	92.7	0	0	0	109.8	K243 Y286 D287 F290	K243-H245 VanDerWaalsContact CE-O 3.31Å; K243-H245 WeakPolarHBondContact CE-O 3.18Å; H245-Y286 HydrophobicContact CB-CD1 3.92Å; H245-D287 IonicContact CE1-OD1 3.08Å; H245-D287 IonicContact CG-OD1 2.83Å; H245-D287 PolarHBondContact N-OD1 3.04Å; H245-D287 IonicContact ND1-OD1 3.26Å; H245-D287 PolarHBondContact ND1-OD1 2.85Å; H245-F290 HydrophobicContact CB-CD2 3.74Å; H245-F290 HydrophobicContact CB-CE2 3.33Å; H245-F290 HydrophobicContact CB-CZ 3.82Å; H245-F290 AromaticContact CD2-CD1 3.51Å; H245-F290 AromaticContact CD2-CD2 3.66Å; H245-F290 AromaticContact CD2-CE1 3.54Å; H245-F290 AromaticContact CD2-CE2 3.7Å; H245-F290 AromaticContact CD2-CG 3.57Å; H245-F290 AromaticContact CD2-CZ 3.63Å; H245-F290 AromaticContact CE1-CD2 3.98Å; H245-F290 AromaticContact CE1-CG 3.72Å; H245-F290 AromaticContact CG-CD2 3.37Å; H245-F290 AromaticContact CG-CE2 3.43Å; H245-F290 VanDerWaalsContact CG-CE2 3.43Å; H245-F290 AromaticContact CG-CG 3.74Å; H245-F290 AromaticContact CG-CZ 3.82Å; H245-F290 AromaticContact ND1-CD2 3.6Å; H245-F290 AromaticContact ND1-CG 3.83Å; H245-F290 AromaticContact NE2-CD1 3.62Å; H245-F290 AromaticContact NE2-CG 3.57Å
246	L	96.4	Very high	90.3	Very high	20 Å²	20	59.3 Å²	59.3	11%	0.105	32%	0.322	C	S	.	.			trans	-83.6	144.9	174.8	-55.4	-173.8	0	0	0	110.5	K243 D248 E259 T263 P265 Y286	K243-L246 HydrophobicContact CD-CD2 4.39Å; K243-L246 HydrophobicContact CG-CD2 4.39Å; L246-D248 PolarHBondContact O-N 2.84Å; L246-E259 HydrophobicContact CB-CB 4.15Å; L246-E259 HydrophobicContact CB-CG 4.21Å; L246-E259 HydrophobicContact CD2-CG 4.24Å; L246-T263 HydrophobicContact CD1-CG2 4.38Å; L246-T263 WeakPolarHBondContact CD1-O 3.49Å; L246-T263 HydrophobicContact CD2-CG2 3.77Å; L246-P265 HydrophobicContact CD1-CB 4.26Å; L246-P265 HydrophobicContact CG-CB 4.22Å; L246-Y286 WeakPolarHBondContact O-CD1 3.34Å; L246-Y286 WeakPolarHBondContact O-CE1 3.21Å
247	F	92.1	Very high	89.7	Confident	36 Å²	36	56.6 Å²	56.6	16%	0.158	31%	0.309	C	S	.	.			trans	-79.3	83.6	179.7	-171.1	-110.1	0	0	0	111.1	V249 V257 E259 Y286 M312	F247-V249 HydrophobicContact CD2-CG2 3.78Å; F247-V249 HydrophobicContact CE1-CB 4.08Å; F247-V249 HydrophobicContact CE1-CG2 4.11Å; F247-V249 HydrophobicContact CE2-CB 4.13Å; F247-V249 HydrophobicContact CE2-CG2 3.28Å; F247-V249 HydrophobicContact CG-CG2 4.4Å; F247-V249 HydrophobicContact CZ-CB 3.78Å; F247-V249 HydrophobicContact CZ-CG1 4.38Å; F247-V249 HydrophobicContact CZ-CG2 3.47Å; F247-V249 VanDerWaalsContact CZ-CG2 3.47Å; F247-V257 HydrophobicContact CD1-CB 3.99Å; F247-V257 HydrophobicContact CD1-CG1 3.84Å; F247-V257 HydrophobicContact CE1-CB 3.98Å; F247-V257 HydrophobicContact CE1-CG1 4.25Å; F247-V257 HydrophobicContact CE1-CG2 4.3Å; F247-E259 HydrophobicContact CB-CB 4.33Å; F247-E259 WeakPolarHBondContact CB-OE2 3.46Å; F247-E259 PolarHBondContact N-OE2 3.34Å; F247-E259 PolarHBondContact O-N 3.39Å; F247-E259 VanDerWaalsContact O-N 3.14Å; F247-Y286 HydrophobicContact CB-CD1 4.44Å; F247-Y286 HydrophobicContact CB-CG 4.36Å; F247-Y286 HydrophobicContact CD2-CD1 4.4Å; F247-Y286 AromaticContact CD2-CD2 3.49Å; F247-Y286 HydrophobicContact CD2-CD2 3.49Å; F247-Y286 VanDerWaalsContact CD2-CD2 3.49Å; F247-Y286 HydrophobicContact CD2-CE1 4.29Å; F247-Y286 AromaticContact CD2-CE2 3.33Å; F247-Y286 HydrophobicContact CD2-CE2 3.33Å; F247-Y286 HydrophobicContact CD2-CG 4.04Å; F247-Y286 AromaticContact CD2-CZ 3.77Å; F247-Y286 HydrophobicContact CE2-CD2 4.12Å; F247-Y286 AromaticContact CE2-CE2 3.68Å; F247-Y286 HydrophobicContact CE2-CE2 3.68Å; F247-M312 HydrophobicContact CD1-CE 4.39Å; F247-M312 HydrophobicContact CE1-CE 3.95Å; F247-M312 HydrophobicContact CE1-SD 4.47Å
248	D	91.3	Very high	89.3	Confident	74 Å²	74	60.8 Å²	60.8	40%	0.396	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	95.3	171.6	-70.7	-2.9	0	0	0	109.1	L246 V257 R258 E259 S260	L246-D248 PolarHBondContact O-N 2.84Å; D248-V257 CarbonylContact C-O 3.54Å; D248-V257 WeakPolarHBondContact CA-O 3.3Å; D248-R258 VanDerWaalsContact OD1-CA 3.31Å; D248-R258 WeakPolarHBondContact OD1-CA 3.47Å; D248-E259 PolarHBondContact OD1-N 3.48Å; D248-S260 PolarHBondContact OD1-N 3.41Å; D248-S260 PolarHBondContact OD1-OG 3.46Å; D248-S260 WeakPolarHBondContact OD2-CB 3.36Å; D248-S260 PolarHBondContact OD2-OG 3.05Å
249	V	85.3	Confident	89.2	Confident	32 Å²	32	59.2 Å²	59.2	19%	0.194	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.5	-178.9	171.8	0	0	0	0	109.5	F247 V251 V255 S256 V257	F247-V249 HydrophobicContact CD2-CG2 3.78Å; F247-V249 HydrophobicContact CE1-CB 4.08Å; F247-V249 HydrophobicContact CE1-CG2 4.11Å; F247-V249 HydrophobicContact CE2-CB 4.13Å; F247-V249 HydrophobicContact CE2-CG2 3.28Å; F247-V249 HydrophobicContact CG-CG2 4.4Å; F247-V249 HydrophobicContact CZ-CB 3.78Å; F247-V249 HydrophobicContact CZ-CG1 4.38Å; F247-V249 HydrophobicContact CZ-CG2 3.47Å; F247-V249 VanDerWaalsContact CZ-CG2 3.47Å; V249-V251 HydrophobicContact CG1-CG2 3.66Å; V249-V255 HydrophobicContact CG1-CG1 4.39Å; V249-S256 WeakPolarHBondContact O-CA 3.29Å; V249-V257 PolarHBondContact N-O 3.47Å; V249-V257 PolarHBondContact O-N 3.21Å
250	D	85.3	Confident	89.1	Confident	91 Å²	91	60.3 Å²	60.3	49%	0.487	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	93.1	176.7	-151.8	-2.2	0	0	0	107.8	P252 S256 R258	D250-P252 WeakPolarHBondContact O-CD 3.4Å; D250-S256 WeakPolarHBondContact OD1-CB 3.4Å; D250-S256 PolarHBondContact OD1-OG 3.13Å; D250-R258 IonicContact OD2-CZ 3.22Å; D250-R258 IonicContact OD2-NH2 3.75Å; D250-R258 PolarHBondContact OD2-NH2 2.85Å
251	V	80.1	Confident	88.8	Confident	50 Å²	50	62.4 Å²	62.4	30%	0.303	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	109.1	173.8	-176.3	0	0	0	0	107.3	V249 N253 E254 V255	V249-V251 HydrophobicContact CG1-CG2 3.66Å; V251-N253 PolarHBondContact O-N 3.1Å; V251-E254 HydrophobicContact CB-CB 4.06Å; V251-E254 HydrophobicContact CG1-CB 3.75Å; V251-E254 HydrophobicContact CG1-CG 3.89Å; V251-E254 PolarHBondContact O-N 2.98Å; V251-V255 HydrophobicContact CB-CG1 4.27Å; V251-V255 HydrophobicContact CG2-CG1 4.21Å; V251-V255 PolarHBondContact N-O 3.41Å; V251-V255 PolarHBondContact O-N 2.83Å
252	P	81.8	Confident	88.5	Confident	101 Å²	101	64 Å²	64	66%	0.656	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	128.9	-178.6	-27.5	35.1	0	0	0	111.6	D250 E254	D250-P252 WeakPolarHBondContact O-CD 3.4Å; P252-E254 PolarHBondContact O-N 3.32Å
253	N	80.2	Confident	88.4	Confident	179 Å²	179	62 Å²	62	96%	0.957	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	4.1	-179.7	-48.2	-51.5	0	0	0	117	V251	V251-N253 PolarHBondContact O-N 3.1Å
254	E	76.4	Confident	88.3	Confident	164 Å²	164	62.9 Å²	62.9	77%	0.766	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-66.6	178.4	-65.1	-175.8	-163.1	0	0	112.4	V251 P252	V251-E254 HydrophobicContact CB-CB 4.06Å; V251-E254 HydrophobicContact CG1-CB 3.75Å; V251-E254 HydrophobicContact CG1-CG 3.89Å; V251-E254 PolarHBondContact O-N 2.98Å; P252-E254 PolarHBondContact O-N 3.32Å
255	V	75	Confident	88.2	Confident	62 Å²	62	64.1 Å²	64.1	38%	0.376	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	131	-173.7	76.2	0	0	0	0	110	V249 V251 V257	V249-V255 HydrophobicContact CG1-CG1 4.39Å; V251-V255 HydrophobicContact CB-CG1 4.27Å; V251-V255 HydrophobicContact CG2-CG1 4.21Å; V251-V255 PolarHBondContact N-O 3.41Å; V251-V255 PolarHBondContact O-N 2.83Å; V255-V257 HydrophobicContact CG2-CG2 3.73Å
256	S	82	Confident	88.1	Confident	77 Å²	77	62.2 Å²	62.2	54%	0.538	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	106	170.7	-161.1	0	0	0	0	107.9	V249 D250	V249-S256 WeakPolarHBondContact O-CA 3.29Å; D250-S256 WeakPolarHBondContact OD1-CB 3.4Å; D250-S256 PolarHBondContact OD1-OG 3.13Å
257	V	84.1	Confident	87.6	Confident	34 Å²	34	67.8 Å²	67.8	21%	0.206	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.1	175.7	-174.4	0	0	0	0	108	F247 D248 V249 V255 M312	F247-V257 HydrophobicContact CD1-CB 3.99Å; F247-V257 HydrophobicContact CD1-CG1 3.84Å; F247-V257 HydrophobicContact CE1-CB 3.98Å; F247-V257 HydrophobicContact CE1-CG1 4.25Å; F247-V257 HydrophobicContact CE1-CG2 4.3Å; D248-V257 CarbonylContact C-O 3.54Å; D248-V257 WeakPolarHBondContact CA-O 3.3Å; V249-V257 PolarHBondContact N-O 3.47Å; V249-V257 PolarHBondContact O-N 3.21Å; V255-V257 HydrophobicContact CG2-CG2 3.73Å; V257-M312 HydrophobicContact CG2-CE 4.17Å
258	R	90	Very high	87.2	Confident	125 Å²	125	67.4 Å²	67.4	47%	0.472	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	95.8	174.3	-64.9	-174.4	-177.2	-171.8	0.1	108.6	D248 D250 S260 D261 Y262	D248-R258 VanDerWaalsContact OD1-CA 3.31Å; D248-R258 WeakPolarHBondContact OD1-CA 3.47Å; D250-R258 IonicContact OD2-CZ 3.22Å; D250-R258 IonicContact OD2-NH2 3.75Å; D250-R258 PolarHBondContact OD2-NH2 2.85Å; R258-S260 PolarHBondContact O-N 3.25Å; R258-D261 WeakPolarHBondContact O-CB 3.49Å; R258-D261 PolarHBondContact O-N 2.97Å; R258-Y262 WeakPolarHBondContact O-CE1 3.43Å
259	E	92.6	Very high	87.1	Confident	14 Å²	14	65.6 Å²	65.6	7%	0.065	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-62.9	-30.8	173.3	-178.7	176	-171.6	0	0	110.4	K243 L246 F247 D248 D261 Y262 T263	K243-E259 VanDerWaalsContact NZ-CD 3.32Å; K243-E259 IonicContact NZ-OE1 3.98Å; K243-E259 PolarHBondContact NZ-OE1 2.8Å; K243-E259 IonicContact NZ-OE2 2.93Å; K243-E259 PolarHBondContact NZ-OE2 3.48Å; L246-E259 HydrophobicContact CB-CB 4.15Å; L246-E259 HydrophobicContact CB-CG 4.21Å; L246-E259 HydrophobicContact CD2-CG 4.24Å; F247-E259 HydrophobicContact CB-CB 4.33Å; F247-E259 WeakPolarHBondContact CB-OE2 3.46Å; F247-E259 PolarHBondContact N-OE2 3.34Å; F247-E259 PolarHBondContact O-N 3.39Å; F247-E259 VanDerWaalsContact O-N 3.14Å; D248-E259 PolarHBondContact OD1-N 3.48Å; E259-D261 PolarHBondContact O-N 2.92Å; E259-D261 VanDerWaalsContact O-N 3.14Å; E259-Y262 HydrophobicContact CG-CE2 4.4Å; E259-Y262 PolarHBondContact O-N 3.1Å; E259-T263 HydrophobicContact CG-CG2 4.48Å; E259-T263 WeakPolarHBondContact O-CB 3.22Å; E259-T263 PolarHBondContact O-N 3.09Å
260	S	93.8	Very high	87.3	Confident	35 Å²	35	64.6 Å²	64.6	25%	0.245	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-64.4	-15.6	178.5	64.9	0	0	0	0	115.6	R223 D248 R258 Y262 T263	R223-S260 WeakPolarHBondContact CD-O 3.4Å; D248-S260 PolarHBondContact OD1-N 3.41Å; D248-S260 PolarHBondContact OD1-OG 3.46Å; D248-S260 WeakPolarHBondContact OD2-CB 3.36Å; D248-S260 PolarHBondContact OD2-OG 3.05Å; R258-S260 PolarHBondContact O-N 3.25Å; S260-Y262 PolarHBondContact O-N 2.91Å; S260-T263 WeakPolarHBondContact CA-O 3.46Å
261	D	91.3	Very high	87.4	Confident	80 Å²	80	61.1 Å²	61.1	43%	0.428	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-65.6	-28.8	175.5	-78.5	-8.1	0	0	0	112.3	K179 R258 E259	K179-D261 HydrophobicContact CD-CB 4.35Å; K179-D261 IonicContact NZ-OD2 2.64Å; K179-D261 PolarHBondContact NZ-OD2 2.88Å; R258-D261 WeakPolarHBondContact O-CB 3.49Å; R258-D261 PolarHBondContact O-N 2.97Å; E259-D261 PolarHBondContact O-N 2.92Å; E259-D261 VanDerWaalsContact O-N 3.14Å
262	Y	90.9	Very high	88.1	Confident	34 Å²	34	58.8 Å²	58.8	13%	0.133	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-6.3	-175.6	57.7	-87.8	0	0	0	113.5	K179 R223 V224 R258 E259 S260	K179-Y262 HydrophobicContact CB-CD1 4.47Å; K179-Y262 HydrophobicContact CD-CD1 4.2Å; K179-Y262 HydrophobicContact CG-CD1 3.9Å; K179-Y262 HydrophobicContact CG-CE1 4.48Å; R223-Y262 CarbonylContact C-O 3.57Å; R223-Y262 WeakPolarHBondContact CA-O 3.39Å; R223-Y262 WeakPolarHBondContact CB-O 3.47Å; V224-Y262 PolarHBondContact N-O 3.19Å; R258-Y262 WeakPolarHBondContact O-CE1 3.43Å; E259-Y262 HydrophobicContact CG-CE2 4.4Å; E259-Y262 PolarHBondContact O-N 3.1Å; S260-Y262 PolarHBondContact O-N 2.91Å
263	T	94.9	Very high	88.8	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.4	178.5	-56	0	0	0	0	111.2	V224 N226 L246 E259 S260	V224-T263 CarbonylContact O-C 3.53Å; V224-T263 VanDerWaalsContact O-CA 3.23Å; V224-T263 WeakPolarHBondContact O-CA 3.4Å; N226-T263 HydrophobicContact CB-CG2 4.15Å; L246-T263 HydrophobicContact CD1-CG2 4.38Å; L246-T263 WeakPolarHBondContact CD1-O 3.49Å; L246-T263 HydrophobicContact CD2-CG2 3.77Å; E259-T263 HydrophobicContact CG-CG2 4.48Å; E259-T263 WeakPolarHBondContact O-CB 3.22Å; E259-T263 PolarHBondContact O-N 3.09Å; S260-T263 WeakPolarHBondContact CA-O 3.46Å
264	L	96.1	Very high	89.5	Confident	23 Å²	23	50.8 Å²	50.8	12%	0.12	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	137.5	172.4	-78.5	164.3	0	0	0	109.9	C217 D220 R223 V224 Y225	C217-L264 HydrophobicContact CB-CD1 3.94Å; D220-L264 HydrophobicContact CB-CD1 3.97Å; R223-L264 HydrophobicContact CB-CD1 4.3Å; R223-L264 HydrophobicContact CB-CG 3.94Å; R223-L264 VanDerWaalsContact NH2-CD2 3.29Å; V224-L264 PolarHBondContact O-N 3.14Å; Y225-L264 HydrophobicContact CD1-CB 3.53Å; Y225-L264 WeakPolarHBondContact CD1-O 3.33Å; Y225-L264 HydrophobicContact CE1-CB 3.37Å; Y225-L264 HydrophobicContact CE1-CD1 4.03Å; Y225-L264 HydrophobicContact CE1-CG 4.3Å; Y225-L264 HydrophobicContact CE2-CD1 4.09Å; Y225-L264 HydrophobicContact CG-CB 4.29Å
265	P	96.2	Very high	90.5	Very high	60 Å²	60	43.4 Å²	43.4	39%	0.39	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-70.2	152.7	173.1	30.7	-34.4	0	0	0	110.5	K243 L246	K243-P265 CarbonylContact O-C 3.59Å; K243-P265 WeakPolarHBondContact O-CA 3.47Å; L246-P265 HydrophobicContact CD1-CB 4.26Å; L246-P265 HydrophobicContact CG-CB 4.22Å
266	G	93.4	Very high	91.4	Very high	13 Å²	13	42.4 Å²	42.4	13%	0.134	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-61.8	152.8	168.8	0	0	0	0	0	112	R242 K243 L244	R242-G266 VanDerWaalsContact CB-CA 3.48Å; R242-G266 WeakPolarHBondContact O-CA 3.44Å; K243-G266 PolarHBondContact O-N 3.27Å; L244-G266 WeakPolarHBondContact CD2-O 3.37Å
267	E	86	Confident	92.1	Very high	136 Å²	136	38.8 Å²	38.8	64%	0.636	20%	0.203	S	C	*	.	S	Bend	trans	-99	-10.7	-175.3	-59.2	172.4	108.4	0	0	112.5	R242	R242-E267 IonicContact NH1-OE2 3.41Å
268	Y	83.7	Confident	92.7	Very high	29 Å²	29	37.3 Å²	37.3	11%	0.114	20%	0.196	C	C	.	.			trans	-156.8	157.4	-171.2	68.5	-82.9	0	0	0	115.8	P270 E409 L414	Y268-P270 HydrophobicContact CD2-CB 4.25Å; Y268-P270 HydrophobicContact CE2-CB 3.87Å; Y268-P270 HydrophobicContact CE2-CG 4.48Å; Y268-P270 VanDerWaalsContact O-CD 3.32Å; Y268-P270 WeakPolarHBondContact O-CD 3.23Å; Y268-E409 WeakPolarHBondContact CA-OE1 3.45Å; Y268-E409 WeakPolarHBondContact CB-OE1 3.28Å; Y268-E409 WeakPolarHBondContact CB-OE2 3.4Å; Y268-L414 HydrophobicContact CD1-CD1 4.04Å; Y268-L414 HydrophobicContact CD2-CD1 4.04Å; Y268-L414 HydrophobicContact CE1-CD1 3.86Å; Y268-L414 HydrophobicContact CE1-CD2 3.87Å; Y268-L414 HydrophobicContact CE1-CG 4.47Å; Y268-L414 HydrophobicContact CE2-CD1 3.84Å; Y268-L414 HydrophobicContact CE2-CD2 3.88Å; Y268-L414 HydrophobicContact CG-CD1 4.16Å; Y268-L414 WeakPolarHBondContact OH-CD2 3.43Å
269	I	89.4	Confident	93.1	Very high	36 Å²	36	33 Å²	33	19%	0.185	18%	0.181	C	C	.	.			trans	-98.9	100.4	172.3	-54.8	169.4	0	0	0	108.6	L244 L293 I296 R300 E409	L244-I269 HydrophobicContact CD1-CD1 4.44Å; L244-I269 HydrophobicContact CD1-CG1 3.56Å; I269-L293 HydrophobicContact CD1-CD1 3.96Å; I269-L293 HydrophobicContact CG1-CD1 3.98Å; I269-L293 HydrophobicContact CG2-CD1 3.81Å; I269-I296 HydrophobicContact CD1-CD1 3.76Å; I269-I296 HydrophobicContact CD1-CG2 4.41Å; I269-I296 HydrophobicContact CG2-CG2 4.24Å; I269-R300 PolarHBondContact O-NH1 3.31Å; I269-E409 PolarHBondContact N-OE1 3.34Å
270	P	89.8	Confident	93.3	Very high	10 Å²	10	32.4 Å²	32.4	7%	0.065	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-65.3	149.5	174.1	31.8	-36.2	0	0	0	110.2	L239 Y241 Y268	L239-P270 HydrophobicContact CD1-CB 3.59Å; L239-P270 HydrophobicContact CD1-CG 3.95Å; Y241-P270 HydrophobicContact CD2-CG 3.87Å; Y268-P270 HydrophobicContact CD2-CB 4.25Å; Y268-P270 HydrophobicContact CE2-CB 3.87Å; Y268-P270 HydrophobicContact CE2-CG 4.48Å; Y268-P270 VanDerWaalsContact O-CD 3.32Å; Y268-P270 WeakPolarHBondContact O-CD 3.23Å
271	P	88.5	Confident	93.5	Very high	18 Å²	18	31 Å²	31	12%	0.117	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-71.6	159.2	176.3	29.8	-34.5	0	0	0	112.6	W420	P271-W420 HydrophobicContact CB-CD2 3.82Å; P271-W420 HydrophobicContact CB-CE3 3.73Å; P271-W420 HydrophobicContact CB-CH2 3.07Å; P271-W420 HydrophobicContact CB-CZ2 3.3Å; P271-W420 HydrophobicContact CB-CZ3 3.31Å; P271-W420 HydrophobicContact CG-CD2 3.44Å; P271-W420 VanDerWaalsContact CG-CD2 3.44Å; P271-W420 HydrophobicContact CG-CE3 3.4Å; P271-W420 HydrophobicContact CG-CG 4Å; P271-W420 HydrophobicContact CG-CH2 3.8Å; P271-W420 HydrophobicContact CG-CZ2 3.96Å; P271-W420 HydrophobicContact CG-CZ3 3.52Å
272	P	94.6	Very high	93.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-58.2	140.7	170.9	-21.9	33.7	0	0	0	111.9	M279 L280 R300 A302 W420	P272-M279 HydrophobicContact CB-CE 4.08Å; P272-M279 WeakPolarHBondContact O-CE 3.4Å; P272-L280 CarbonylContact C-O 3.58Å; P272-L280 WeakPolarHBondContact CA-O 3.38Å; P272-R300 HydrophobicContact CG-CB 4.1Å; P272-A302 HydrophobicContact CB-CB 4.2Å; P272-A302 HydrophobicContact CG-CB 3.79Å; P272-W420 PolarHBondContact O-NE1 2.89Å
273	V	95.3	Very high	94.2	Very high	17 Å²	17	25.9 Å²	25.9	10%	0.103	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	143.9	-179.8	70.6	0	0	0	0	110.7	I230 V238 L239 T275 M279 L280	I230-V273 HydrophobicContact CG2-CG1 4.41Å; V238-V273 HydrophobicContact CB-CG2 4.13Å; V238-V273 HydrophobicContact CG2-CG1 4.45Å; V238-V273 HydrophobicContact CG2-CG2 4Å; L239-V273 HydrophobicContact CB-CB 4.28Å; L239-V273 HydrophobicContact CB-CG1 4.04Å; L239-V273 HydrophobicContact CD2-CB 4.39Å; L239-V273 HydrophobicContact CD2-CG1 3.92Å; V273-T275 HydrophobicContact CG1-CG2 3.95Å; V273-T275 PolarHBondContact O-N 2.98Å; V273-M279 WeakPolarHBondContact O-CA 3.21Å; V273-L280 HydrophobicContact CG1-CB 4.47Å; V273-L280 PolarHBondContact N-O 3.48Å; V273-L280 PolarHBondContact O-N 2.82Å
274	N	95.5	Very high	94.4	Very high	96 Å²	96	25.7 Å²	25.7	51%	0.513	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.1	173.2	-169.4	21.6	0	0	0	110	W207 M279	W207-N274 WeakPolarHBondContact CH2-O 3.12Å; N274-M279 HydrophobicContact CB-SD 3.75Å
275	T	96.8	Very high	94.5	Very high	9 Å²	9	25.2 Å²	25.2	6%	0.055	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	168	178.1	76.1	0	0	0	0	109.8	M165 W207 V273 V277 G278 L280	M165-T275 HydrophobicContact SD-CG2 4.31Å; W207-T275 HydrophobicContact CE3-CG2 3.9Å; W207-T275 HydrophobicContact CZ3-CG2 3.67Å; V273-T275 HydrophobicContact CG1-CG2 3.95Å; V273-T275 PolarHBondContact O-N 2.98Å; T275-V277 PolarHBondContact O-N 2.71Å; T275-V277 WeakPolarHBondContact OG1-CG2 3.33Å; T275-V277 PolarHBondContact OG1-N 3.37Å; T275-G278 WeakPolarHBondContact CB-O 3.23Å; T275-G278 PolarHBondContact N-O 2.77Å; T275-G278 PolarHBondContact O-N 3.47Å; T275-G278 PolarHBondContact OG1-N 3.02Å; T275-G278 PolarHBondContact OG1-O 3.13Å; T275-L280 HydrophobicContact CG2-CB 3.66Å; T275-L280 HydrophobicContact CG2-CD2 4.17Å
276	P	95.4	Very high	94.5	Very high	41 Å²	41	24.4 Å²	24.4	27%	0.266	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-7.9	174.9	-22.9	34.1	0	0	0	115.2	R164 W207	R164-P276 HydrophobicContact CB-CB 4.39Å; W207-P276 HydrophobicContact CD2-CG 4Å; W207-P276 HydrophobicContact CG-CG 3.97Å; W207-P276 HydrophobicContact CZ2-CG 4.26Å
277	V	96.3	Very high	94.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-7.5	-177.8	-57.7	0	0	0	0	112.8	A131 I133 R164 M165 T275 I304 I379	A131-V277 HydrophobicContact CB-CB 4.09Å; A131-V277 HydrophobicContact CB-CG1 3.75Å; I133-V277 HydrophobicContact CG2-CB 4.1Å; I133-V277 HydrophobicContact CG2-CG1 3.61Å; I133-V277 HydrophobicContact CG2-CG2 4.21Å; R164-V277 HydrophobicContact CB-CG1 3.97Å; M165-V277 HydrophobicContact CB-CG1 4.21Å; M165-V277 HydrophobicContact CB-CG2 4.46Å; M165-V277 HydrophobicContact SD-CG2 4.01Å; T275-V277 PolarHBondContact O-N 2.71Å; T275-V277 WeakPolarHBondContact OG1-CG2 3.33Å; T275-V277 PolarHBondContact OG1-N 3.37Å; V277-I304 HydrophobicContact CB-CD1 4.26Å; V277-I304 HydrophobicContact CG2-CD1 3.61Å; V277-I379 WeakPolarHBondContact O-CG2 3.25Å
278	G	96.2	Very high	95.3	Very high	4 Å²	4	17.3 Å²	17.3	4%	0.041	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135	-176.4	-179	0	0	0	0	0	113.8	T275 L280 E303	T275-G278 WeakPolarHBondContact CB-O 3.23Å; T275-G278 PolarHBondContact N-O 2.77Å; T275-G278 PolarHBondContact O-N 3.47Å; T275-G278 PolarHBondContact OG1-N 3.02Å; T275-G278 PolarHBondContact OG1-O 3.13Å; G278-L280 PolarHBondContact O-N 3.43Å; G278-E303 WeakPolarHBondContact CA-OE2 3.38Å
279	M	97.5	Very high	96	Very high	35 Å²	35	19.3 Å²	19.3	17%	0.172	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	106.4	176.7	-68.9	-65.9	-63.6	0	0	111.3	P272 V273 N274 G301 E303 I304	P272-M279 HydrophobicContact CB-CE 4.08Å; P272-M279 WeakPolarHBondContact O-CE 3.4Å; V273-M279 WeakPolarHBondContact O-CA 3.21Å; N274-M279 HydrophobicContact CB-SD 3.75Å; M279-G301 VanDerWaalsContact CB-O 3.29Å; M279-G301 WeakPolarHBondContact CB-O 3.47Å; M279-E303 HydrophobicContact CB-CB 4.32Å; M279-E303 HydrophobicContact CB-CG 4.16Å; M279-E303 PolarHBondContact N-OE2 2.82Å; M279-E303 PolarHBondContact O-N 3.29Å; M279-I304 PolarHBondContact O-N 3.02Å
280	L	98.4	Very high	96.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.3	-174.9	178.7	65.5	0	0	0	112.2	M165 F167 I230 P272 V273 T275 G278 I304	M165-L280 HydrophobicContact CE-CD2 3.32Å; M165-L280 HydrophobicContact SD-CD2 4.09Å; F167-L280 HydrophobicContact CE1-CD1 4.12Å; F167-L280 HydrophobicContact CE1-CD2 4.04Å; F167-L280 HydrophobicContact CZ-CD2 4.43Å; I230-L280 HydrophobicContact CD1-CD2 3.61Å; I230-L280 HydrophobicContact CG1-CD2 4.11Å; P272-L280 CarbonylContact C-O 3.58Å; P272-L280 WeakPolarHBondContact CA-O 3.38Å; V273-L280 HydrophobicContact CG1-CB 4.47Å; V273-L280 PolarHBondContact N-O 3.48Å; V273-L280 PolarHBondContact O-N 2.82Å; T275-L280 HydrophobicContact CG2-CB 3.66Å; T275-L280 HydrophobicContact CG2-CD2 4.17Å; G278-L280 PolarHBondContact O-N 3.43Å; L280-I304 HydrophobicContact CD1-CB 3.8Å; L280-I304 HydrophobicContact CD1-CG2 3.58Å
281	S	98.1	Very high	96.6	Very high	5 Å²	5	21.7 Å²	21.7	4%	0.035	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.7	166.1	-168.4	0	0	0	0	110.8	A297 I304 S306	S281-A297 WeakPolarHBondContact OG-CB 3.33Å; S281-I304 PolarHBondContact N-O 2.82Å; S281-S306 PolarHBondContact O-N 3.16Å; S281-S306 VanDerWaalsContact O-N 3.1Å; S281-S306 PolarHBondContact O-OG 3.44Å
282	A	98.1	Very high	96.9	Very high	5 Å²	5	25.7 Å²	25.7	4%	0.041	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.4	173.3	0	0	0	0	0	111	L239 Y241 S306	L239-A282 HydrophobicContact CD2-CB 3.55Å; L239-A282 HydrophobicContact CG-CB 4.35Å; Y241-A282 WeakPolarHBondContact CD2-O 3.19Å; Y241-A282 HydrophobicContact CG-CB 4.18Å; A282-S306 WeakPolarHBondContact CA-OG 3.29Å
283	S	98.4	Very high	96.9	Very high	2 Å²	2	26 Å²	26	1%	0.014	13%	0.132	C	C	.	.			trans	-142.3	176.4	167.9	-53.3	0	0	0	0	108.1	H228 Y241 L293 S306 P308	H228-S283 PolarHBondContact ND1-O 3.38Å; Y241-S283 VanDerWaalsContact CE1-CA 3.49Å; S283-L293 WeakPolarHBondContact OG-CD2 3.07Å; S283-S306 CarbonylContact C-O 3.47Å; S283-S306 WeakPolarHBondContact CB-O 3.33Å; S283-S306 PolarHBondContact N-O 2.9Å; S283-P308 VanDerWaalsContact O-CD 3.24Å; S283-P308 WeakPolarHBondContact O-CD 3.46Å; S283-P308 WeakPolarHBondContact O-CG 3.41Å
284	T	98.5	Very high	96.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.			trans	-144.3	123.3	179.6	-56.9	0	0	0	0	111.8	E170 G211 K243 Y286 D287	E170-T284 HydrophobicContact CB-CG2 4.1Å; E170-T284 HydrophobicContact CG-CG2 3.79Å; E170-T284 WeakPolarHBondContact OE1-CG2 3.43Å; G211-T284 PolarHBondContact O-OG1 3.25Å; K243-T284 HydrophobicContact CD-CG2 4.02Å; K243-T284 HydrophobicContact CG-CG2 4.48Å; T284-Y286 PolarHBondContact O-N 2.81Å; T284-D287 PolarHBondContact N-OD2 3.18Å; T284-D287 WeakPolarHBondContact O-CB 3.09Å; T284-D287 VanDerWaalsContact O-CG 3.3Å; T284-D287 PolarHBondContact O-N 2.96Å; T284-D287 VanDerWaalsContact O-N 3.17Å
285	C	98.1	Very high	96.9	Very high	13 Å²	13	22.1 Å²	22.1	9%	0.088	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	49.4	-104	164.9	-166.3	0	0	0	0	115.7	E170 D287 L288 P308 S309 F311	E170-C285 WeakPolarHBondContact OE2-CB 3.44Å; E170-C285 PolarHBondContact OE2-SG 3Å; C285-D287 PolarHBondContact O-N 3.22Å; C285-D287 VanDerWaalsContact O-N 3.1Å; C285-L288 WeakPolarHBondContact O-CB 3.49Å; C285-L288 PolarHBondContact O-N 3.34Å; C285-P308 PolarHBondContact N-O 3.36Å; C285-S309 VanDerWaalsContact CA-OG 3.25Å; C285-S309 WeakPolarHBondContact CA-OG 3.46Å; C285-F311 VanDerWaalsContact SG-CD2 3.57Å
286	Y	97.6	Very high	96.6	Very high	43 Å²	43	22.3 Å²	22.3	17%	0.169	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-59.6	-24.3	-173.8	-164.4	-128.4	0	0	0	113.3	H245 L246 F247 T284 L288 R289 F290	H245-Y286 HydrophobicContact CB-CD1 3.92Å; L246-Y286 WeakPolarHBondContact O-CD1 3.34Å; L246-Y286 WeakPolarHBondContact O-CE1 3.21Å; F247-Y286 HydrophobicContact CB-CD1 4.44Å; F247-Y286 HydrophobicContact CB-CG 4.36Å; F247-Y286 HydrophobicContact CD2-CD1 4.4Å; F247-Y286 AromaticContact CD2-CD2 3.49Å; F247-Y286 HydrophobicContact CD2-CD2 3.49Å; F247-Y286 VanDerWaalsContact CD2-CD2 3.49Å; F247-Y286 HydrophobicContact CD2-CE1 4.29Å; F247-Y286 AromaticContact CD2-CE2 3.33Å; F247-Y286 HydrophobicContact CD2-CE2 3.33Å; F247-Y286 HydrophobicContact CD2-CG 4.04Å; F247-Y286 AromaticContact CD2-CZ 3.77Å; F247-Y286 HydrophobicContact CE2-CD2 4.12Å; F247-Y286 AromaticContact CE2-CE2 3.68Å; F247-Y286 HydrophobicContact CE2-CE2 3.68Å; T284-Y286 PolarHBondContact O-N 2.81Å; Y286-L288 PolarHBondContact O-N 3.33Å; Y286-R289 HydrophobicContact CD2-CG 4.3Å; Y286-R289 HydrophobicContact CE2-CG 4.36Å; Y286-R289 WeakPolarHBondContact O-CB 3.41Å; Y286-R289 PolarHBondContact O-N 2.89Å; Y286-F290 AromaticContact CD1-CE2 3.76Å; Y286-F290 HydrophobicContact CD1-CE2 3.76Å; Y286-F290 HydrophobicContact CD1-CZ 4.23Å; Y286-F290 AromaticContact CE1-CE2 3.8Å; Y286-F290 HydrophobicContact CE1-CE2 3.8Å; Y286-F290 AromaticContact CE1-CZ 3.84Å; Y286-F290 HydrophobicContact CE1-CZ 3.84Å; Y286-F290 HydrophobicContact CG-CE2 4.28Å; Y286-F290 VanDerWaalsContact O-CD2 3.3Å; Y286-F290 WeakPolarHBondContact O-CD2 3.39Å; Y286-F290 WeakPolarHBondContact O-CE2 3.28Å
287	D	98.2	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-51.7	-28.5	170	-67.7	-40.1	0	0	0	113.5	Y241 H245 T284 C285 R289 F290 L293 F307	Y241-D287 WeakPolarHBondContact CE1-OD2 3.07Å; Y241-D287 PolarHBondContact OH-OD1 2.55Å; Y241-D287 VanDerWaalsContact OH-OD1 3.13Å; Y241-D287 PolarHBondContact OH-OD2 2.98Å; H245-D287 IonicContact CE1-OD1 3.08Å; H245-D287 IonicContact CG-OD1 2.83Å; H245-D287 PolarHBondContact N-OD1 3.04Å; H245-D287 IonicContact ND1-OD1 3.26Å; H245-D287 PolarHBondContact ND1-OD1 2.85Å; T284-D287 PolarHBondContact N-OD2 3.18Å; T284-D287 WeakPolarHBondContact O-CB 3.09Å; T284-D287 VanDerWaalsContact O-CG 3.3Å; T284-D287 PolarHBondContact O-N 2.96Å; T284-D287 VanDerWaalsContact O-N 3.17Å; C285-D287 PolarHBondContact O-N 3.22Å; C285-D287 VanDerWaalsContact O-N 3.1Å; D287-R289 PolarHBondContact O-N 3.18Å; D287-R289 VanDerWaalsContact O-N 3.11Å; D287-F290 PolarHBondContact O-N 2.82Å; D287-L293 HydrophobicContact CB-CD2 3.76Å; D287-F307 HydrophobicContact CB-CE1 4.34Å
288	L	97.9	Very high	96.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-55.2	-29.6	176.8	179.6	58.7	0	0	0	112.6	C285 Y286 F290 F307 F311 W320 L323 L324 R327	C285-L288 WeakPolarHBondContact O-CB 3.49Å; C285-L288 PolarHBondContact O-N 3.34Å; Y286-L288 PolarHBondContact O-N 3.33Å; L288-F290 VanDerWaalsContact C-N 3.27Å; L288-F290 PolarHBondContact O-N 2.82Å; L288-F307 HydrophobicContact CB-CD1 3.78Å; L288-F307 HydrophobicContact CB-CE1 4.16Å; L288-F307 HydrophobicContact CB-CG 4.22Å; L288-F307 HydrophobicContact CD1-CD1 4.16Å; L288-F307 HydrophobicContact CD1-CD2 3.92Å; L288-F307 HydrophobicContact CD1-CE1 4.26Å; L288-F307 HydrophobicContact CD1-CE2 4.02Å; L288-F307 HydrophobicContact CD1-CG 4Å; L288-F307 HydrophobicContact CD1-CZ 4.21Å; L288-F311 HydrophobicContact CD2-CE2 4.42Å; L288-F311 HydrophobicContact CD2-CZ 4.01Å; L288-W320 HydrophobicContact CD2-CE3 4.21Å; L288-W320 HydrophobicContact CD2-CZ3 4.19Å; L288-L323 HydrophobicContact CD1-CB 4.09Å; L288-L323 HydrophobicContact CD2-CB 3.73Å; L288-L323 HydrophobicContact CD2-CD1 4.27Å; L288-L323 HydrophobicContact CG-CB 3.7Å; L288-L323 HydrophobicContact CG-CD1 4.22Å; L288-L324 HydrophobicContact CD1-CD2 3.84Å; L288-L324 HydrophobicContact CD1-CG 4.48Å; L288-L324 HydrophobicContact CD2-CD2 3.72Å; L288-L324 HydrophobicContact CD2-CG 3.93Å; L288-L324 HydrophobicContact CG-CD2 4.44Å; L288-R327 HydrophobicContact CD1-CG 3.62Å; L288-R327 PolarHBondContact O-NE 3.45Å; L288-R327 PolarHBondContact O-NH2 2.74Å
289	R	97.1	Very high	96.2	Very high	70 Å²	70	25.2 Å²	25.2	26%	0.264	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-75.5	-12.5	-180	-63.4	-170.2	-173.7	-82.3	-7	113.8	Y286 D287 P291 H319 L323 R327	Y286-R289 HydrophobicContact CD2-CG 4.3Å; Y286-R289 HydrophobicContact CE2-CG 4.36Å; Y286-R289 WeakPolarHBondContact O-CB 3.41Å; Y286-R289 PolarHBondContact O-N 2.89Å; D287-R289 PolarHBondContact O-N 3.18Å; D287-R289 VanDerWaalsContact O-N 3.11Å; R289-P291 WeakPolarHBondContact O-CD 3.35Å; R289-H319 PolarHBondContact NH1-ND1 2.76Å; R289-H319 PolarHBondContact NH2-ND1 3.17Å; R289-L323 HydrophobicContact CG-CD1 3.98Å; R289-R327 PolarHBondContact O-NH2 2.86Å
290	F	97	Very high	95.7	Very high	57 Å²	57	25.9 Å²	25.9	25%	0.25	12%	0.119	C	C	.	.			trans	-108.4	90.9	-173.7	-57.9	-92.8	0	0	0	110.3	H245 Y286 D287 L288 E292 L293	H245-F290 HydrophobicContact CB-CD2 3.74Å; H245-F290 HydrophobicContact CB-CE2 3.33Å; H245-F290 HydrophobicContact CB-CZ 3.82Å; H245-F290 AromaticContact CD2-CD1 3.51Å; H245-F290 AromaticContact CD2-CD2 3.66Å; H245-F290 AromaticContact CD2-CE1 3.54Å; H245-F290 AromaticContact CD2-CE2 3.7Å; H245-F290 AromaticContact CD2-CG 3.57Å; H245-F290 AromaticContact CD2-CZ 3.63Å; H245-F290 AromaticContact CE1-CD2 3.98Å; H245-F290 AromaticContact CE1-CG 3.72Å; H245-F290 AromaticContact CG-CD2 3.37Å; H245-F290 AromaticContact CG-CE2 3.43Å; H245-F290 VanDerWaalsContact CG-CE2 3.43Å; H245-F290 AromaticContact CG-CG 3.74Å; H245-F290 AromaticContact CG-CZ 3.82Å; H245-F290 AromaticContact ND1-CD2 3.6Å; H245-F290 AromaticContact ND1-CG 3.83Å; H245-F290 AromaticContact NE2-CD1 3.62Å; H245-F290 AromaticContact NE2-CG 3.57Å; Y286-F290 AromaticContact CD1-CE2 3.76Å; Y286-F290 HydrophobicContact CD1-CE2 3.76Å; Y286-F290 HydrophobicContact CD1-CZ 4.23Å; Y286-F290 AromaticContact CE1-CE2 3.8Å; Y286-F290 HydrophobicContact CE1-CE2 3.8Å; Y286-F290 AromaticContact CE1-CZ 3.84Å; Y286-F290 HydrophobicContact CE1-CZ 3.84Å; Y286-F290 HydrophobicContact CG-CE2 4.28Å; Y286-F290 VanDerWaalsContact O-CD2 3.3Å; Y286-F290 WeakPolarHBondContact O-CD2 3.39Å; Y286-F290 WeakPolarHBondContact O-CE2 3.28Å; D287-F290 PolarHBondContact O-N 2.82Å; L288-F290 VanDerWaalsContact C-N 3.27Å; L288-F290 PolarHBondContact O-N 2.82Å; F290-E292 PolarHBondContact O-N 2.85Å; F290-L293 PolarHBondContact O-N 3.14Å
291	P	95.9	Very high	95.5	Very high	40 Å²	40	27.4 Å²	27.4	26%	0.26	14%	0.135	S	C	.	.	H	α-helix	trans	-59.4	-27.9	-176.1	24.1	-33.5	0	0	0	113.3	R289 L293 C294 R295 Y331	R289-P291 WeakPolarHBondContact O-CD 3.35Å; P291-L293 VanDerWaalsContact C-N 3.26Å; P291-L293 PolarHBondContact O-N 3.1Å; P291-C294 WeakPolarHBondContact O-CA 3.4Å; P291-C294 WeakPolarHBondContact O-CB 3.4Å; P291-C294 PolarHBondContact O-N 2.95Å; P291-R295 PolarHBondContact O-N 2.91Å; P291-Y331 HydrophobicContact CB-CE2 4.43Å; P291-Y331 WeakPolarHBondContact CB-OH 3.41Å; P291-Y331 PolarHBondContact O-OH 3.46Å
292	E	94.2	Very high	95.4	Very high	102 Å²	102	27.2 Å²	27.2	48%	0.477	13%	0.133	S	C	.	.	H	α-helix	trans	-54.7	-41.2	177.8	-63.3	80.9	179.7	0	0	111.9	F290 C294 R295 I296 T404	F290-E292 PolarHBondContact O-N 2.85Å; E292-C294 VanDerWaalsContact C-N 3.29Å; E292-C294 PolarHBondContact O-N 3.44Å; E292-R295 WeakPolarHBondContact O-CB 3.16Å; E292-R295 PolarHBondContact O-N 2.72Å; E292-I296 WeakPolarHBondContact O-CD1 3.49Å; E292-I296 WeakPolarHBondContact O-CG1 3.48Å; E292-I296 PolarHBondContact O-N 3.49Å; E292-T404 HydrophobicContact CB-CG2 4.32Å
293	L	94.7	Very high	95.4	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-39.6	178.1	-175.4	63.5	0	0	0	111.5	L244 I269 S283 D287 F290 P291 I296 A297	L244-L293 HydrophobicContact CD1-CD1 3.95Å; I269-L293 HydrophobicContact CD1-CD1 3.96Å; I269-L293 HydrophobicContact CG1-CD1 3.98Å; I269-L293 HydrophobicContact CG2-CD1 3.81Å; S283-L293 WeakPolarHBondContact OG-CD2 3.07Å; D287-L293 HydrophobicContact CB-CD2 3.76Å; F290-L293 PolarHBondContact O-N 3.14Å; P291-L293 VanDerWaalsContact C-N 3.26Å; P291-L293 PolarHBondContact O-N 3.1Å; L293-I296 PolarHBondContact O-N 2.76Å; L293-A297 WeakPolarHBondContact O-CB 3.39Å; L293-A297 PolarHBondContact O-N 2.9Å
294	C	96.1	Very high	95.5	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-71.2	-38.8	178.2	-54.3	0	0	0	0	111.5	P291 E292 I296 A297 R298 L305 F307 R327 Y331	P291-C294 WeakPolarHBondContact O-CA 3.4Å; P291-C294 WeakPolarHBondContact O-CB 3.4Å; P291-C294 PolarHBondContact O-N 2.95Å; E292-C294 VanDerWaalsContact C-N 3.29Å; E292-C294 PolarHBondContact O-N 3.44Å; C294-I296 VanDerWaalsContact C-N 3.35Å; C294-A297 PolarHBondContact O-N 2.72Å; C294-R298 WeakPolarHBondContact O-CB 3.32Å; C294-R298 PolarHBondContact O-N 3.39Å; C294-L305 HydrophobicContact CB-CD1 3.95Å; C294-F307 VanDerWaalsContact SG-CZ 3.51Å; C294-R327 VanDerWaalsContact SG-CD 3.58Å; C294-Y331 HydrophobicContact CB-CD2 3.26Å; C294-Y331 HydrophobicContact CB-CE2 3.21Å; C294-Y331 HydrophobicContact CB-CG 4Å
295	R	93.6	Very high	95.5	Very high	31 Å²	31	28.2 Å²	28.2	12%	0.117	14%	0.137	C	C	.	.	H	α-helix	trans	-59.1	-47.4	173.4	-176.7	168.7	171.7	172.7	2.5	111.1	P291 E292 R298 Q299 Y331 T404	P291-R295 PolarHBondContact O-N 2.91Å; E292-R295 WeakPolarHBondContact O-CB 3.16Å; E292-R295 PolarHBondContact O-N 2.72Å; R295-R298 PolarHBondContact O-N 3.25Å; R295-Q299 WeakPolarHBondContact O-CB 3.4Å; R295-Q299 VanDerWaalsContact O-CG 3.3Å; R295-Q299 WeakPolarHBondContact O-CG 3.49Å; R295-Q299 PolarHBondContact O-N 3.1Å; R295-Y331 HydrophobicContact CB-CD1 4.33Å; R295-Y331 HydrophobicContact CB-CE1 3.47Å; R295-Y331 VanDerWaalsContact CB-CE1 3.47Å; R295-Y331 HydrophobicContact CG-CE1 4.1Å; R295-T404 WeakPolarHBondContact CD-OG1 3.31Å; R295-T404 VanDerWaalsContact CZ-OG1 3.22Å; R295-T404 PolarHBondContact NE-OG1 2.84Å; R295-T404 PolarHBondContact NH1-OG1 3.16Å
296	I	91.2	Very high	95.5	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.062	13%	0.132	C	C	.	.	H	α-helix	trans	-60.9	-46.5	177.6	-67.7	161	0	0	0	110.3	I269 E292 L293 C294 R298 Q299 R300 T404 T406	I269-I296 HydrophobicContact CD1-CD1 3.76Å; I269-I296 HydrophobicContact CD1-CG2 4.41Å; I269-I296 HydrophobicContact CG2-CG2 4.24Å; E292-I296 WeakPolarHBondContact O-CD1 3.49Å; E292-I296 WeakPolarHBondContact O-CG1 3.48Å; E292-I296 PolarHBondContact O-N 3.49Å; L293-I296 PolarHBondContact O-N 2.76Å; C294-I296 VanDerWaalsContact C-N 3.35Å; I296-R298 PolarHBondContact O-N 2.86Å; I296-Q299 PolarHBondContact O-N 2.91Å; I296-R300 WeakPolarHBondContact O-CB 3.26Å; I296-R300 VanDerWaalsContact O-CG 3.29Å; I296-R300 WeakPolarHBondContact O-CG 3.25Å; I296-R300 PolarHBondContact O-N 3.18Å; I296-T404 HydrophobicContact CD1-CG2 4.16Å; I296-T404 HydrophobicContact CG1-CG2 3.95Å; I296-T406 HydrophobicContact CB-CG2 4.19Å; I296-T406 HydrophobicContact CD1-CG2 3.45Å; I296-T406 VanDerWaalsContact CD1-CG2 3.45Å; I296-T406 HydrophobicContact CG1-CG2 3.44Å; I296-T406 VanDerWaalsContact CG1-CG2 3.44Å; I296-T406 HydrophobicContact CG2-CG2 3.66Å
297	A	94.1	Very high	95.6	Very high	5 Å²	5	25.5 Å²	25.5	4%	0.041	12%	0.124	C	C	.	.	H	α-helix	trans	-58.9	-47.9	177	0	0	0	0	0	111.9	S281 L293 C294 R300 G301 A302 L305	S281-A297 WeakPolarHBondContact OG-CB 3.33Å; L293-A297 WeakPolarHBondContact O-CB 3.39Å; L293-A297 PolarHBondContact O-N 2.9Å; C294-A297 PolarHBondContact O-N 2.72Å; A297-R300 CarbonylContact O-C 3.5Å; A297-R300 WeakPolarHBondContact O-CA 3.27Å; A297-R300 PolarHBondContact O-N 3.4Å; A297-R300 VanDerWaalsContact O-N 3.14Å; A297-G301 PolarHBondContact O-N 2.81Å; A297-A302 VanDerWaalsContact C-CB 3.5Å; A297-A302 HydrophobicContact CB-CB 3.95Å; A297-A302 WeakPolarHBondContact O-CB 3.15Å; A297-A302 PolarHBondContact O-N 2.68Å; A297-L305 HydrophobicContact CB-CD2 3.57Å
298	R	95	Very high	95.6	Very high	28 Å²	28	25.7 Å²	25.7	11%	0.106	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-42.5	177.2	172.1	57.5	-168.4	-85.4	-0.7	112.4	C294 R295 I296 R300 G301 Y331 Q332 R388 M394	C294-R298 WeakPolarHBondContact O-CB 3.32Å; C294-R298 PolarHBondContact O-N 3.39Å; R295-R298 PolarHBondContact O-N 3.25Å; I296-R298 PolarHBondContact O-N 2.86Å; R298-R300 PolarHBondContact O-N 3.46Å; R298-G301 PolarHBondContact O-N 3.21Å; R298-Y331 HydrophobicContact CB-CD1 4.15Å; R298-Y331 HydrophobicContact CB-CG 4.44Å; R298-Y331 VanDerWaalsContact CD-O 3.3Å; R298-Y331 WeakPolarHBondContact CD-O 3.24Å; R298-Y331 HydrophobicContact CG-CD1 4.5Å; R298-Y331 VanDerWaalsContact NH1-C 3.32Å; R298-Y331 PolarHBondContact NH1-O 3.33Å; R298-Q332 VanDerWaalsContact NH1-OE1 3.09Å; R298-R388 VanDerWaalsContact CD-NH2 3.28Å; R298-R388 VanDerWaalsContact CZ-CZ 3.48Å; R298-R388 VanDerWaalsContact NE-CZ 3.32Å; R298-R388 VanDerWaalsContact NH2-CD 3.32Å; R298-M394 HydrophobicContact CG-CE 4.09Å; R298-M394 HydrophobicContact CG-CG 4.23Å; R298-M394 HydrophobicContact CG-SD 3.87Å; R298-M394 VanDerWaalsContact CZ-CG 3.48Å
299	Q	89.8	Confident	95.6	Very high	74 Å²	74	25.7 Å²	25.7	35%	0.346	13%	0.125	S	C	.	.	H	α-helix	trans	-61.8	-33.8	174.8	-75.3	173.1	-42.2	0	0	112	R295 I296 G301 M394	R295-Q299 WeakPolarHBondContact O-CB 3.4Å; R295-Q299 VanDerWaalsContact O-CG 3.3Å; R295-Q299 WeakPolarHBondContact O-CG 3.49Å; R295-Q299 PolarHBondContact O-N 3.1Å; I296-Q299 PolarHBondContact O-N 2.91Å; Q299-G301 PolarHBondContact O-N 3.36Å; Q299-M394 HydrophobicContact CG-CE 3.85Å
300	R	88.4	Confident	95.6	Very high	49 Å²	49	22.7 Å²	22.7	19%	0.185	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	11	174.4	-66.3	176.1	-179.8	-174.6	0.3	113.7	I269 P272 I296 A297 R298	I269-R300 PolarHBondContact O-NH1 3.31Å; P272-R300 HydrophobicContact CG-CB 4.1Å; I296-R300 WeakPolarHBondContact O-CB 3.26Å; I296-R300 VanDerWaalsContact O-CG 3.29Å; I296-R300 WeakPolarHBondContact O-CG 3.25Å; I296-R300 PolarHBondContact O-N 3.18Å; A297-R300 CarbonylContact O-C 3.5Å; A297-R300 WeakPolarHBondContact O-CA 3.27Å; A297-R300 PolarHBondContact O-N 3.4Å; A297-R300 VanDerWaalsContact O-N 3.14Å; R298-R300 PolarHBondContact O-N 3.46Å
301	G	93.1	Very high	95.5	Very high	32 Å²	32	20.7 Å²	20.7	33%	0.33	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	14	172	0	0	0	0	0	115.3	M279 A297 R298 Q299 E303	M279-G301 VanDerWaalsContact CB-O 3.29Å; M279-G301 WeakPolarHBondContact CB-O 3.47Å; A297-G301 PolarHBondContact O-N 2.81Å; R298-G301 PolarHBondContact O-N 3.21Å; Q299-G301 PolarHBondContact O-N 3.36Å; G301-E303 PolarHBondContact O-N 2.98Å
302	A	97.4	Very high	95.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.			trans	-56.4	138.3	174.4	0	0	0	0	0	111.3	P272 A297 L305 C333 R388	P272-A302 HydrophobicContact CB-CB 4.2Å; P272-A302 HydrophobicContact CG-CB 3.79Å; A297-A302 VanDerWaalsContact C-CB 3.5Å; A297-A302 HydrophobicContact CB-CB 3.95Å; A297-A302 WeakPolarHBondContact O-CB 3.15Å; A297-A302 PolarHBondContact O-N 2.68Å; A302-L305 HydrophobicContact CB-CD2 4.01Å; A302-C333 PolarHBondContact O-SG 3Å; A302-R388 PolarHBondContact O-NH2 2.88Å
303	E	98.4	Very high	95.4	Very high	27 Å²	27	20.2 Å²	20.2	13%	0.126	11%	0.106	C	C	.	.	S	Bend	trans	-111.1	-26.6	171.3	-67.8	173.2	135.4	0	0	110.5	G278 M279 G301 C333 Y334 L381 L384 Q385	G278-E303 WeakPolarHBondContact CA-OE2 3.38Å; M279-E303 HydrophobicContact CB-CB 4.32Å; M279-E303 HydrophobicContact CB-CG 4.16Å; M279-E303 PolarHBondContact N-OE2 2.82Å; M279-E303 PolarHBondContact O-N 3.29Å; G301-E303 PolarHBondContact O-N 2.98Å; E303-C333 CarbonylContact O-C 3.59Å; E303-C333 VanDerWaalsContact O-CA 3.31Å; E303-C333 WeakPolarHBondContact O-CA 3.37Å; E303-C333 WeakPolarHBondContact O-CB 3.36Å; E303-Y334 PolarHBondContact O-N 2.9Å; E303-L381 HydrophobicContact CB-CD2 4.02Å; E303-L381 HydrophobicContact CG-CD2 4.4Å; E303-L384 HydrophobicContact CB-CD1 3.84Å; E303-L384 HydrophobicContact CG-CD1 4.32Å; E303-L384 HydrophobicContact CG-CD2 4.28Å; E303-L384 VanDerWaalsContact O-CD1 3.24Å; E303-L384 WeakPolarHBondContact O-CD1 3.48Å; E303-Q385 PolarHBondContact OE1-NE2 3.31Å
304	I	98.7	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.2	178	-49.9	172	0	0	0	108.4	V277 M279 L280 S281 Y334 V336 I379	V277-I304 HydrophobicContact CB-CD1 4.26Å; V277-I304 HydrophobicContact CG2-CD1 3.61Å; M279-I304 PolarHBondContact O-N 3.02Å; L280-I304 HydrophobicContact CD1-CB 3.8Å; L280-I304 HydrophobicContact CD1-CG2 3.58Å; S281-I304 PolarHBondContact N-O 2.82Å; I304-Y334 CarbonylContact C-O 3.59Å; I304-Y334 WeakPolarHBondContact CA-O 3.37Å; I304-V336 HydrophobicContact CG2-CB 4.33Å; I304-V336 HydrophobicContact CG2-CG2 3.63Å; I304-I379 HydrophobicContact CD1-CG1 4.43Å; I304-I379 HydrophobicContact CD1-CG2 4.16Å; I304-I379 HydrophobicContact CG1-CG2 4.49Å
305	L	98.8	Very high	95	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.9	169.1	-57.4	175.7	0	0	0	108.3	C294 A297 A302 F307 R327 Y331 C333 Y334 V335 V336	C294-L305 HydrophobicContact CB-CD1 3.95Å; A297-L305 HydrophobicContact CB-CD2 3.57Å; A302-L305 HydrophobicContact CB-CD2 4.01Å; L305-F307 HydrophobicContact CB-CE2 3.81Å; L305-F307 HydrophobicContact CB-CZ 4.42Å; L305-R327 HydrophobicContact CD1-CB 4.39Å; L305-Y331 HydrophobicContact CD1-CD2 4.45Å; L305-C333 HydrophobicContact CD1-CB 4.09Å; L305-C333 HydrophobicContact CG-CB 3.84Å; L305-Y334 PolarHBondContact N-O 2.92Å; L305-V335 HydrophobicContact CB-CG2 4.33Å; L305-V335 CarbonylContact O-C 3.54Å; L305-V335 WeakPolarHBondContact O-CA 3.35Å; L305-V336 PolarHBondContact O-N 2.71Å
306	S	98.7	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.4	177.6	58.6	0	0	0	0	112.5	H228 S281 A282 S283 P308 V336	H228-S306 PolarHBondContact CE1-OG 2.87Å; H228-S306 VanDerWaalsContact CE1-OG 3.26Å; S281-S306 PolarHBondContact O-N 3.16Å; S281-S306 VanDerWaalsContact O-N 3.1Å; S281-S306 PolarHBondContact O-OG 3.44Å; A282-S306 WeakPolarHBondContact CA-OG 3.29Å; S283-S306 CarbonylContact C-O 3.47Å; S283-S306 WeakPolarHBondContact CB-O 3.33Å; S283-S306 PolarHBondContact N-O 2.9Å; S306-P308 VanDerWaalsContact C-CD 3.44Å; S306-V336 VanDerWaalsContact CA-O 3.24Å; S306-V336 WeakPolarHBondContact CA-O 3.33Å
307	F	98.8	Very high	95.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.			trans	-131.3	62.3	176.4	-61.6	-80.7	0	0	0	111.3	D287 L288 C294 L305 S309 L324 R327 V335 V336 A337	D287-F307 HydrophobicContact CB-CE1 4.34Å; L288-F307 HydrophobicContact CB-CD1 3.78Å; L288-F307 HydrophobicContact CB-CE1 4.16Å; L288-F307 HydrophobicContact CB-CG 4.22Å; L288-F307 HydrophobicContact CD1-CD1 4.16Å; L288-F307 HydrophobicContact CD1-CD2 3.92Å; L288-F307 HydrophobicContact CD1-CE1 4.26Å; L288-F307 HydrophobicContact CD1-CE2 4.02Å; L288-F307 HydrophobicContact CD1-CG 4Å; L288-F307 HydrophobicContact CD1-CZ 4.21Å; C294-F307 VanDerWaalsContact SG-CZ 3.51Å; L305-F307 HydrophobicContact CB-CE2 3.81Å; L305-F307 HydrophobicContact CB-CZ 4.42Å; F307-S309 PolarHBondContact O-N 3.03Å; F307-S309 PolarHBondContact O-OG 2.78Å; F307-L324 HydrophobicContact CB-CD2 4.18Å; F307-L324 HydrophobicContact CD2-CD2 4.12Å; F307-L324 HydrophobicContact CG-CD2 4.45Å; F307-R327 HydrophobicContact CE2-CB 4.48Å; F307-R327 HydrophobicContact CE2-CG 4.43Å; F307-V335 HydrophobicContact CD2-CG1 3.81Å; F307-V335 HydrophobicContact CE2-CG1 4.21Å; F307-V336 PolarHBondContact N-O 3.32Å; F307-A337 HydrophobicContact CB-CB 4.49Å
308	P	98.8	Very high	95.3	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.019	19%	0.194	C	C	.	.			trans	-52.5	133.9	166.5	25.8	-37.4	0	0	0	111	F168 G211 H228 S283 C285 S306 A338	F168-P308 WeakPolarHBondContact O-CB 3.17Å; G211-P308 WeakPolarHBondContact O-CB 3.02Å; G211-P308 WeakPolarHBondContact O-CG 3.26Å; H228-P308 WeakPolarHBondContact ND1-CG 3.23Å; S283-P308 VanDerWaalsContact O-CD 3.24Å; S283-P308 WeakPolarHBondContact O-CD 3.46Å; S283-P308 WeakPolarHBondContact O-CG 3.41Å; C285-P308 PolarHBondContact N-O 3.36Å; S306-P308 VanDerWaalsContact C-CD 3.44Å; P308-A338 CarbonylContact C-O 3.59Å; P308-A338 VanDerWaalsContact CA-O 3.26Å; P308-A338 WeakPolarHBondContact CA-O 3.42Å
309	S	98.3	Very high	95.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-152	153.3	-164.4	-60.4	0	0	0	0	115.5	C285 F307 W320 A338 A339 Q340	C285-S309 VanDerWaalsContact CA-OG 3.25Å; C285-S309 WeakPolarHBondContact CA-OG 3.46Å; F307-S309 PolarHBondContact O-N 3.03Å; F307-S309 PolarHBondContact O-OG 2.78Å; S309-W320 VanDerWaalsContact CB-CH2 3.4Å; S309-W320 VanDerWaalsContact OG-CH2 3.26Å; S309-W320 WeakPolarHBondContact OG-CH2 3.48Å; S309-W320 VanDerWaalsContact OG-CZ3 3.27Å; S309-W320 WeakPolarHBondContact OG-CZ3 3.15Å; S309-A338 PolarHBondContact N-O 2.94Å; S309-A339 CarbonylContact O-C 3.58Å; S309-A339 WeakPolarHBondContact O-CA 3.44Å; S309-Q340 PolarHBondContact O-N 2.86Å
310	A	96.8	Very high	95.8	Very high	8 Å²	8	34.1 Å²	34.1	7%	0.066	19%	0.191	C	C	.	.			trans	-120	55.9	164.2	0	0	0	0	0	111.8	E170 M175 M312 Q340 S350	E170-A310 HydrophobicContact CB-CB 4.47Å; E170-A310 PolarHBondContact OE2-N 2.84Å; M175-A310 HydrophobicContact CE-CB 3.86Å; A310-M312 PolarHBondContact O-N 3.31Å; A310-Q340 HydrophobicContact CB-CB 3.97Å; A310-Q340 HydrophobicContact CB-CG 3.8Å; A310-S350 PolarHBondContact O-OG 2.91Å
311	F	94.9	Very high	96.3	Very high	14 Å²	14	35.4 Å²	35.4	6%	0.061	20%	0.199	C	C	.	.			trans	-58.3	133.9	-177.5	-104.6	-123.4	0	0	0	112.4	C285 L288 W320 S350 Y351	C285-F311 VanDerWaalsContact SG-CD2 3.57Å; L288-F311 HydrophobicContact CD2-CE2 4.42Å; L288-F311 HydrophobicContact CD2-CZ 4.01Å; F311-W320 HydrophobicContact CB-CE3 4.16Å; F311-W320 HydrophobicContact CB-CZ3 4.44Å; F311-W320 HydrophobicContact CD1-CB 4.49Å; F311-W320 AromaticContact CD1-CE3 3.71Å; F311-W320 HydrophobicContact CD1-CE3 3.71Å; F311-W320 HydrophobicContact CD1-CZ3 4.41Å; F311-W320 AromaticContact CD2-CE3 3.66Å; F311-W320 HydrophobicContact CD2-CE3 3.66Å; F311-W320 AromaticContact CD2-CZ3 3.5Å; F311-W320 HydrophobicContact CD2-CZ3 3.5Å; F311-W320 AromaticContact CE1-CE3 3.91Å; F311-W320 HydrophobicContact CE1-CE3 3.91Å; F311-W320 AromaticContact CE2-CE3 3.86Å; F311-W320 HydrophobicContact CE2-CE3 3.86Å; F311-W320 AromaticContact CE2-CZ3 3.69Å; F311-W320 HydrophobicContact CE2-CZ3 3.69Å; F311-W320 AromaticContact CG-CE3 3.57Å; F311-W320 HydrophobicContact CG-CE3 3.57Å; F311-W320 AromaticContact CG-CZ3 3.88Å; F311-W320 HydrophobicContact CG-CZ3 3.88Å; F311-W320 AromaticContact CZ-CE3 3.98Å; F311-W320 HydrophobicContact CZ-CE3 3.98Å; F311-W320 HydrophobicContact CZ-CZ3 4.23Å; F311-S350 CarbonylContact O-C 3.6Å; F311-S350 WeakPolarHBondContact O-CA 3.28Å; F311-S350 WeakPolarHBondContact O-CB 3.36Å; F311-Y351 PolarHBondContact O-N 3.47Å
312	M	93.1	Very high	96.6	Very high	82 Å²	82	38.6 Å²	38.6	40%	0.404	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-66	147.5	172.9	-60.9	-173.9	-179	0	0	111	F247 V257 A310 N314 T315 G316	F247-M312 HydrophobicContact CD1-CE 4.39Å; F247-M312 HydrophobicContact CE1-CE 3.95Å; F247-M312 HydrophobicContact CE1-SD 4.47Å; V257-M312 HydrophobicContact CG2-CE 4.17Å; A310-M312 PolarHBondContact O-N 3.31Å; M312-N314 PolarHBondContact O-N 3.18Å; M312-T315 PolarHBondContact O-N 3.32Å; M312-T315 PolarHBondContact O-OG1 2.87Å; M312-G316 PolarHBondContact O-N 3.03Å
313	V	93.8	Very high	96.6	Very high	51 Å²	51	39.9 Å²	39.9	31%	0.309	22%	0.219	S	C	.	.	H	α-helix	trans	-52.6	-53	-174.9	179.7	0	0	0	0	112.7	T315 G316 M317	V313-T315 PolarHBondContact O-N 3.21Å; V313-G316 PolarHBondContact O-N 3.03Å; V313-M317 HydrophobicContact CG1-CE 4.44Å; V313-M317 WeakPolarHBondContact O-CB 3.18Å; V313-M317 PolarHBondContact O-N 3.28Å
314	N	91.9	Very high	96.6	Very high	135 Å²	135	38.6 Å²	38.6	72%	0.722	21%	0.213	S	C	*	.	H	α-helix	trans	-61.7	-48	-176.6	-67.3	-3.4	0	0	0	111.9	M312 G316 A318	M312-N314 PolarHBondContact O-N 3.18Å; N314-G316 VanDerWaalsContact C-N 3.32Å; N314-G316 PolarHBondContact O-N 2.88Å; N314-A318 PolarHBondContact O-N 2.88Å
315	T	91.2	Very high	96.6	Very high	40 Å²	40	42.9 Å²	42.9	25%	0.245	23%	0.229	C	C	.	.	H	α-helix	trans	-69.7	-31	178.8	53.6	0	0	0	0	112.7	M312 V313 H319	M312-T315 PolarHBondContact O-N 3.32Å; M312-T315 PolarHBondContact O-OG1 2.87Å; V313-T315 PolarHBondContact O-N 3.21Å; T315-H319 VanDerWaalsContact O-CB 3.26Å; T315-H319 WeakPolarHBondContact O-CB 3.37Å; T315-H319 PolarHBondContact O-N 2.84Å; T315-H319 PolarHBondContact O-ND1 2.91Å
316	G	94.1	Very high	96.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-70.7	-44.7	178.7	0	0	0	0	0	111.8	M312 V313 N314 A318 H319 W320 Y351	M312-G316 PolarHBondContact O-N 3.03Å; V313-G316 PolarHBondContact O-N 3.03Å; N314-G316 VanDerWaalsContact C-N 3.32Å; N314-G316 PolarHBondContact O-N 2.88Å; G316-A318 PolarHBondContact O-N 3Å; G316-H319 PolarHBondContact O-N 3.48Å; G316-W320 WeakPolarHBondContact O-CB 3.18Å; G316-W320 PolarHBondContact O-N 2.93Å; G316-Y351 VanDerWaalsContact C-CE1 3.48Å; G316-Y351 WeakPolarHBondContact O-CE1 2.96Å
317	M	95.1	Very high	96.6	Very high	132 Å²	132	45 Å²	45	65%	0.65	24%	0.242	S	C	*	.	H	α-helix	trans	-55.2	-37.7	176.5	-169.9	-177.4	-62	0	0	112.6	V313 Y351	V313-M317 HydrophobicContact CG1-CE 4.44Å; V313-M317 WeakPolarHBondContact O-CB 3.18Å; V313-M317 PolarHBondContact O-N 3.28Å; M317-Y351 HydrophobicContact CB-CD2 4.39Å; M317-Y351 HydrophobicContact CB-CE2 3.83Å; M317-Y351 HydrophobicContact CG-CE2 4.44Å; M317-Y351 VanDerWaalsContact N-CE2 3.34Å
318	A	96.1	Very high	96.6	Very high	60 Å²	60	45 Å²	45	50%	0.496	24%	0.242	S	C	.	.	H	α-helix	trans	-89.5	-38.3	-179.3	0	0	0	0	0	114.1	N314 G316	N314-A318 PolarHBondContact O-N 2.88Å; G316-A318 PolarHBondContact O-N 3Å
319	H	97.6	Very high	96.6	Very high	79 Å²	79	48.6 Å²	48.6	37%	0.366	26%	0.26	S	S	.	.	H	α-helix	trans	-119	-20.1	-163	-54.7	135.5	0	0	0	115.1	R289 T315 G316 L323	R289-H319 PolarHBondContact NH1-ND1 2.76Å; R289-H319 PolarHBondContact NH2-ND1 3.17Å; T315-H319 VanDerWaalsContact O-CB 3.26Å; T315-H319 WeakPolarHBondContact O-CB 3.37Å; T315-H319 PolarHBondContact O-N 2.84Å; T315-H319 PolarHBondContact O-ND1 2.91Å; G316-H319 PolarHBondContact O-N 3.48Å; H319-L323 HydrophobicContact CB-CD1 3.85Å; H319-L323 HydrophobicContact CB-CG 4.24Å; H319-L323 VanDerWaalsContact O-CB 3.3Å; H319-L323 WeakPolarHBondContact O-CB 3.32Å; H319-L323 WeakPolarHBondContact O-CG 3.48Å; H319-L323 PolarHBondContact O-N 2.79Å
320	W	98.2	Very high	96.5	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-60	-169.3	-180	-115.2	0	0	0	112.1	L288 S309 F311 G316 L324 A337 A339 Y351 H353	L288-W320 HydrophobicContact CD2-CE3 4.21Å; L288-W320 HydrophobicContact CD2-CZ3 4.19Å; S309-W320 VanDerWaalsContact CB-CH2 3.4Å; S309-W320 VanDerWaalsContact OG-CH2 3.26Å; S309-W320 WeakPolarHBondContact OG-CH2 3.48Å; S309-W320 VanDerWaalsContact OG-CZ3 3.27Å; S309-W320 WeakPolarHBondContact OG-CZ3 3.15Å; F311-W320 HydrophobicContact CB-CE3 4.16Å; F311-W320 HydrophobicContact CB-CZ3 4.44Å; F311-W320 HydrophobicContact CD1-CB 4.49Å; F311-W320 AromaticContact CD1-CE3 3.71Å; F311-W320 HydrophobicContact CD1-CE3 3.71Å; F311-W320 HydrophobicContact CD1-CZ3 4.41Å; F311-W320 AromaticContact CD2-CE3 3.66Å; F311-W320 HydrophobicContact CD2-CE3 3.66Å; F311-W320 AromaticContact CD2-CZ3 3.5Å; F311-W320 HydrophobicContact CD2-CZ3 3.5Å; F311-W320 AromaticContact CE1-CE3 3.91Å; F311-W320 HydrophobicContact CE1-CE3 3.91Å; F311-W320 AromaticContact CE2-CE3 3.86Å; F311-W320 HydrophobicContact CE2-CE3 3.86Å; F311-W320 AromaticContact CE2-CZ3 3.69Å; F311-W320 HydrophobicContact CE2-CZ3 3.69Å; F311-W320 AromaticContact CG-CE3 3.57Å; F311-W320 HydrophobicContact CG-CE3 3.57Å; F311-W320 AromaticContact CG-CZ3 3.88Å; F311-W320 HydrophobicContact CG-CZ3 3.88Å; F311-W320 AromaticContact CZ-CE3 3.98Å; F311-W320 HydrophobicContact CZ-CE3 3.98Å; F311-W320 HydrophobicContact CZ-CZ3 4.23Å; G316-W320 WeakPolarHBondContact O-CB 3.18Å; G316-W320 PolarHBondContact O-N 2.93Å; W320-L324 HydrophobicContact CD2-CD1 3.8Å; W320-L324 HydrophobicContact CD2-CG 4.49Å; W320-L324 VanDerWaalsContact CE2-CD1 3.45Å; W320-L324 HydrophobicContact CE3-CD1 4.32Å; W320-L324 HydrophobicContact CG-CD1 4.23Å; W320-L324 HydrophobicContact CH2-CD1 4.19Å; W320-L324 HydrophobicContact CZ2-CD1 3.69Å; W320-L324 HydrophobicContact CZ3-CD1 4.48Å; W320-L324 VanDerWaalsContact O-CG 3.25Å; W320-L324 WeakPolarHBondContact O-CG 3.3Å; W320-L324 PolarHBondContact O-N 3.04Å; W320-L324 VanDerWaalsContact O-N 3.17Å; W320-A337 HydrophobicContact CH2-CB 3.76Å; W320-A337 HydrophobicContact CZ2-CB 3.61Å; W320-A339 HydrophobicContact CZ2-CB 4.1Å; W320-Y351 HydrophobicContact CB-CD1 3.83Å; W320-Y351 HydrophobicContact CB-CE1 3.79Å; W320-Y351 AromaticContact CD1-CD1 3.94Å; W320-Y351 AromaticContact CD1-CE1 3.87Å; W320-Y351 AromaticContact CG-CD1 3.93Å; W320-Y351 HydrophobicContact CG-CD1 3.93Å; W320-Y351 HydrophobicContact CG-CE1 4.07Å; W320-H353 PolarHBondContact NE1-O 3.36Å
321	E	98.5	Very high	96.6	Very high	76 Å²	76	52.9 Å²	52.9	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-63.3	-49.9	-178.5	179.3	-178	144.3	0	0	111.8	L323 L324 R325 M355 I363	E321-L323 VanDerWaalsContact C-N 3.31Å; E321-L323 PolarHBondContact O-N 2.92Å; E321-L324 PolarHBondContact O-N 3.32Å; E321-R325 VanDerWaalsContact CG-CD 3.49Å; E321-R325 HydrophobicContact CG-CG 4.1Å; E321-R325 WeakPolarHBondContact O-CB 3.33Å; E321-R325 WeakPolarHBondContact O-CG 3.25Å; E321-R325 PolarHBondContact O-N 3.18Å; E321-R325 WeakPolarHBondContact OE1-CD 3.31Å; E321-R325 IonicContact OE1-CZ 2.79Å; E321-R325 IonicContact OE1-NH1 2.58Å; E321-R325 PolarHBondContact OE1-NH1 3.18Å; E321-R325 VanDerWaalsContact OE1-NH1 3.08Å; E321-M355 HydrophobicContact CB-CE 4.41Å; E321-I363 HydrophobicContact CG-CD1 3.93Å
322	V	98.4	Very high	96.7	Very high	99 Å²	99	52.3 Å²	52.3	60%	0.6	28%	0.277	S	S	*	.	H	α-helix	trans	-57.1	-45.3	-175.6	167.4	0	0	0	0	111.2	S326	V322-S326 VanDerWaalsContact O-CB 3.31Å; V322-S326 WeakPolarHBondContact O-CB 3.2Å; V322-S326 PolarHBondContact O-N 2.95Å
323	L	98.7	Very high	97	Very high	28 Å²	28	48.4 Å²	48.4	15%	0.147	26%	0.258	C	S	.	.	H	α-helix	trans	-68.5	-45.9	-179.9	-68.1	175.6	0	0	0	111.7	L288 R289 H319 E321 R325 S326 R327	L288-L323 HydrophobicContact CD1-CB 4.09Å; L288-L323 HydrophobicContact CD2-CB 3.73Å; L288-L323 HydrophobicContact CD2-CD1 4.27Å; L288-L323 HydrophobicContact CG-CB 3.7Å; L288-L323 HydrophobicContact CG-CD1 4.22Å; R289-L323 HydrophobicContact CG-CD1 3.98Å; H319-L323 HydrophobicContact CB-CD1 3.85Å; H319-L323 HydrophobicContact CB-CG 4.24Å; H319-L323 VanDerWaalsContact O-CB 3.3Å; H319-L323 WeakPolarHBondContact O-CB 3.32Å; H319-L323 WeakPolarHBondContact O-CG 3.48Å; H319-L323 PolarHBondContact O-N 2.79Å; E321-L323 VanDerWaalsContact C-N 3.31Å; E321-L323 PolarHBondContact O-N 2.92Å; L323-R325 VanDerWaalsContact C-N 3.32Å; L323-R325 PolarHBondContact O-N 3.35Å; L323-S326 PolarHBondContact O-N 3.33Å; L323-R327 WeakPolarHBondContact O-CG 3.48Å; L323-R327 PolarHBondContact O-N 3.4Å
324	L	98.8	Very high	97.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-45.4	178.6	-70.1	175	0	0	0	111.4	L288 F307 W320 E321 R327 A328 V335 A337 M355 V357	L288-L324 HydrophobicContact CD1-CD2 3.84Å; L288-L324 HydrophobicContact CD1-CG 4.48Å; L288-L324 HydrophobicContact CD2-CD2 3.72Å; L288-L324 HydrophobicContact CD2-CG 3.93Å; L288-L324 HydrophobicContact CG-CD2 4.44Å; F307-L324 HydrophobicContact CB-CD2 4.18Å; F307-L324 HydrophobicContact CD2-CD2 4.12Å; F307-L324 HydrophobicContact CG-CD2 4.45Å; W320-L324 HydrophobicContact CD2-CD1 3.8Å; W320-L324 HydrophobicContact CD2-CG 4.49Å; W320-L324 VanDerWaalsContact CE2-CD1 3.45Å; W320-L324 HydrophobicContact CE3-CD1 4.32Å; W320-L324 HydrophobicContact CG-CD1 4.23Å; W320-L324 HydrophobicContact CH2-CD1 4.19Å; W320-L324 HydrophobicContact CZ2-CD1 3.69Å; W320-L324 HydrophobicContact CZ3-CD1 4.48Å; W320-L324 VanDerWaalsContact O-CG 3.25Å; W320-L324 WeakPolarHBondContact O-CG 3.3Å; W320-L324 PolarHBondContact O-N 3.04Å; W320-L324 VanDerWaalsContact O-N 3.17Å; E321-L324 PolarHBondContact O-N 3.32Å; L324-R327 PolarHBondContact O-N 2.93Å; L324-A328 PolarHBondContact O-N 3.49Å; L324-A328 VanDerWaalsContact O-N 3.08Å; L324-V335 HydrophobicContact CB-CG1 4.31Å; L324-V335 HydrophobicContact CD2-CG1 3.6Å; L324-A337 HydrophobicContact CD1-CB 3.72Å; L324-A337 HydrophobicContact CD2-CB 3.67Å; L324-A337 HydrophobicContact CG-CB 4.39Å; L324-M355 HydrophobicContact CB-SD 4.49Å; L324-M355 HydrophobicContact CD1-CE 4.35Å; L324-M355 HydrophobicContact CD1-CG 3.71Å; L324-M355 HydrophobicContact CD1-SD 3.64Å; L324-V357 HydrophobicContact CB-CG2 4.32Å
325	R	98.8	Very high	97.6	Very high	89 Å²	89	40 Å²	40	34%	0.336	21%	0.211	S	C	.	.	H	α-helix	trans	-66.3	-42.5	177.9	-66.2	179.5	68.1	-162.7	-5.1	112.2	E321 L323 R327 A328 I329 V357 G361 I363	E321-R325 VanDerWaalsContact CG-CD 3.49Å; E321-R325 HydrophobicContact CG-CG 4.1Å; E321-R325 WeakPolarHBondContact O-CB 3.33Å; E321-R325 WeakPolarHBondContact O-CG 3.25Å; E321-R325 PolarHBondContact O-N 3.18Å; E321-R325 WeakPolarHBondContact OE1-CD 3.31Å; E321-R325 IonicContact OE1-CZ 2.79Å; E321-R325 IonicContact OE1-NH1 2.58Å; E321-R325 PolarHBondContact OE1-NH1 3.18Å; E321-R325 VanDerWaalsContact OE1-NH1 3.08Å; L323-R325 VanDerWaalsContact C-N 3.32Å; L323-R325 PolarHBondContact O-N 3.35Å; R325-R327 VanDerWaalsContact C-N 3.35Å; R325-R327 PolarHBondContact O-N 2.8Å; R325-A328 WeakPolarHBondContact O-CB 3.33Å; R325-A328 PolarHBondContact O-N 3.09Å; R325-I329 WeakPolarHBondContact O-CD1 3.39Å; R325-I329 WeakPolarHBondContact O-CG1 3.44Å; R325-I329 PolarHBondContact O-N 2.93Å; R325-V357 HydrophobicContact CB-CG1 4.5Å; R325-V357 HydrophobicContact CG-CG1 3.97Å; R325-V357 HydrophobicContact CG-CG2 4.17Å; R325-G361 PolarHBondContact NE-O 3.47Å; R325-G361 PolarHBondContact NH2-O 3.32Å; R325-I363 HydrophobicContact CG-CG1 4.46Å
326	S	98.6	Very high	97.9	Very high	31 Å²	31	38.2 Å²	38.2	22%	0.217	20%	0.2	C	C	.	.	H	α-helix	trans	-56.3	-47.2	173.3	157.6	0	0	0	0	111.3	V322 L323 A328 I329 D330	V322-S326 VanDerWaalsContact O-CB 3.31Å; V322-S326 WeakPolarHBondContact O-CB 3.2Å; V322-S326 PolarHBondContact O-N 2.95Å; L323-S326 PolarHBondContact O-N 3.33Å; S326-A328 VanDerWaalsContact C-N 3.31Å; S326-A328 PolarHBondContact O-N 3.4Å; S326-I329 PolarHBondContact O-N 3.42Å; S326-D330 VanDerWaalsContact O-CB 3.27Å; S326-D330 WeakPolarHBondContact O-CB 3.24Å; S326-D330 PolarHBondContact O-N 3.41Å; S326-D330 VanDerWaalsContact O-OD2 3.13Å; S326-D330 PolarHBondContact OG-OD2 3.15Å
327	R	98.5	Very high	98.2	Very high	16 Å²	16	38.1 Å²	38.1	6%	0.06	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-36.9	177.7	-59.3	-44.9	170.1	-123.3	0.2	113.1	L288 R289 C294 L305 F307 L323 L324 R325 Y331 V335	L288-R327 HydrophobicContact CD1-CG 3.62Å; L288-R327 PolarHBondContact O-NE 3.45Å; L288-R327 PolarHBondContact O-NH2 2.74Å; R289-R327 PolarHBondContact O-NH2 2.86Å; C294-R327 VanDerWaalsContact SG-CD 3.58Å; L305-R327 HydrophobicContact CD1-CB 4.39Å; F307-R327 HydrophobicContact CE2-CB 4.48Å; F307-R327 HydrophobicContact CE2-CG 4.43Å; L323-R327 WeakPolarHBondContact O-CG 3.48Å; L323-R327 PolarHBondContact O-N 3.4Å; L324-R327 PolarHBondContact O-N 2.93Å; R325-R327 VanDerWaalsContact C-N 3.35Å; R325-R327 PolarHBondContact O-N 2.8Å; R327-Y331 WeakPolarHBondContact O-CB 3.37Å; R327-Y331 WeakPolarHBondContact O-CD2 3.32Å; R327-Y331 PolarHBondContact O-N 2.92Å; R327-V335 HydrophobicContact CB-CG2 4.18Å
328	A	98.7	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-44.7	177	0	0	0	0	0	111.4	L324 R325 S326 Q332 C333 V335 V357 D358	L324-A328 PolarHBondContact O-N 3.49Å; L324-A328 VanDerWaalsContact O-N 3.08Å; R325-A328 WeakPolarHBondContact O-CB 3.33Å; R325-A328 PolarHBondContact O-N 3.09Å; S326-A328 VanDerWaalsContact C-N 3.31Å; S326-A328 PolarHBondContact O-N 3.4Å; A328-Q332 WeakPolarHBondContact O-CA 3.28Å; A328-Q332 PolarHBondContact O-N 2.97Å; A328-C333 WeakPolarHBondContact CA-O 3.46Å; A328-C333 PolarHBondContact O-N 3.37Å; A328-V335 HydrophobicContact CB-CB 4.26Å; A328-V335 HydrophobicContact CB-CG2 3.56Å; A328-V357 HydrophobicContact CB-CB 4.01Å; A328-V357 HydrophobicContact CB-CG1 3.61Å; A328-D358 WeakPolarHBondContact CB-O 3.37Å
329	I	98.3	Very high	98.5	Very high	78 Å²	78	29.2 Å²	29.2	40%	0.4	15%	0.146	S	C	.	.	H	α-helix	trans	-69.6	-55.7	-179.7	-64.5	162.3	0	0	0	111.1	R325 S326 Y331 Q332	R325-I329 WeakPolarHBondContact O-CD1 3.39Å; R325-I329 WeakPolarHBondContact O-CG1 3.44Å; R325-I329 PolarHBondContact O-N 2.93Å; S326-I329 PolarHBondContact O-N 3.42Å; I329-Y331 PolarHBondContact O-N 3.45Å; I329-Y331 VanDerWaalsContact O-N 3.17Å; I329-Q332 PolarHBondContact O-N 3.39Å
330	D	97.3	Very high	98.5	Very high	73 Å²	73	25.4 Å²	25.4	39%	0.39	13%	0.129	S	C	.	.	H	α-helix	trans	-62.8	-27.8	-172.5	-67.3	-27.5	0	0	0	112.4	S326 I393	S326-D330 VanDerWaalsContact O-CB 3.27Å; S326-D330 WeakPolarHBondContact O-CB 3.24Å; S326-D330 PolarHBondContact O-N 3.41Å; S326-D330 VanDerWaalsContact O-OD2 3.13Å; S326-D330 PolarHBondContact OG-OD2 3.15Å; D330-I393 WeakPolarHBondContact O-CD1 3.42Å
331	Y	97.8	Very high	98.5	Very high	25 Å²	25	25.7 Å²	25.7	10%	0.098	13%	0.13	C	C	.	.	H	α-helix	trans	-118.5	5.2	-177.1	-57.4	-63.5	0	0	0	113.8	P291 C294 R295 R298 L305 R327 I329 C333	P291-Y331 HydrophobicContact CB-CE2 4.43Å; P291-Y331 WeakPolarHBondContact CB-OH 3.41Å; P291-Y331 PolarHBondContact O-OH 3.46Å; C294-Y331 HydrophobicContact CB-CD2 3.26Å; C294-Y331 HydrophobicContact CB-CE2 3.21Å; C294-Y331 HydrophobicContact CB-CG 4Å; R295-Y331 HydrophobicContact CB-CD1 4.33Å; R295-Y331 HydrophobicContact CB-CE1 3.47Å; R295-Y331 VanDerWaalsContact CB-CE1 3.47Å; R295-Y331 HydrophobicContact CG-CE1 4.1Å; R298-Y331 HydrophobicContact CB-CD1 4.15Å; R298-Y331 HydrophobicContact CB-CG 4.44Å; R298-Y331 VanDerWaalsContact CD-O 3.3Å; R298-Y331 WeakPolarHBondContact CD-O 3.24Å; R298-Y331 HydrophobicContact CG-CD1 4.5Å; R298-Y331 VanDerWaalsContact NH1-C 3.32Å; R298-Y331 PolarHBondContact NH1-O 3.33Å; L305-Y331 HydrophobicContact CD1-CD2 4.45Å; R327-Y331 WeakPolarHBondContact O-CB 3.37Å; R327-Y331 WeakPolarHBondContact O-CD2 3.32Å; R327-Y331 PolarHBondContact O-N 2.92Å; I329-Y331 PolarHBondContact O-N 3.45Å; I329-Y331 VanDerWaalsContact O-N 3.17Å; Y331-C333 PolarHBondContact O-N 2.88Å; Y331-C333 PolarHBondContact O-SG 3.35Å
332	Q	98.3	Very high	98.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.009	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	39	57.9	179.2	-45.1	167.1	-59.6	0	0	111.6	R298 A328 I329 P359 V387 R388 L391 I393	R298-Q332 VanDerWaalsContact NH1-OE1 3.09Å; A328-Q332 WeakPolarHBondContact O-CA 3.28Å; A328-Q332 PolarHBondContact O-N 2.97Å; I329-Q332 PolarHBondContact O-N 3.39Å; Q332-P359 HydrophobicContact CB-CB 4.4Å; Q332-V387 HydrophobicContact CB-CG1 4.16Å; Q332-V387 HydrophobicContact CG-CG1 4.15Å; Q332-V387 PolarHBondContact NE2-O 2.97Å; Q332-R388 HydrophobicContact CB-CG 3.91Å; Q332-R388 PolarHBondContact O-NE 3.39Å; Q332-R388 PolarHBondContact O-NH2 3.2Å; Q332-L391 PolarHBondContact NE2-O 3.45Å; Q332-I393 HydrophobicContact CG-CD1 3.62Å; Q332-I393 HydrophobicContact CG-CG1 4.3Å
333	C	98.7	Very high	98.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.			trans	-127.6	153.1	177.7	-69.8	0	0	0	0	107.9	A302 E303 L305 A328 Y331 R388	A302-C333 PolarHBondContact O-SG 3Å; E303-C333 CarbonylContact O-C 3.59Å; E303-C333 VanDerWaalsContact O-CA 3.31Å; E303-C333 WeakPolarHBondContact O-CA 3.37Å; E303-C333 WeakPolarHBondContact O-CB 3.36Å; L305-C333 HydrophobicContact CD1-CB 4.09Å; L305-C333 HydrophobicContact CG-CB 3.84Å; A328-C333 WeakPolarHBondContact CA-O 3.46Å; A328-C333 PolarHBondContact O-N 3.37Å; Y331-C333 PolarHBondContact O-N 2.88Å; Y331-C333 PolarHBondContact O-SG 3.35Å; C333-R388 PolarHBondContact SG-NH2 3.48Å
334	Y	98.8	Very high	98.1	Very high	9 Å²	9	24 Å²	24	4%	0.035	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	142.5	159.5	-78.1	-90.1	0	0	0	108.8	E303 I304 L305 V356 V357 D358 P359 I379 D380 L384	E303-Y334 PolarHBondContact O-N 2.9Å; I304-Y334 CarbonylContact C-O 3.59Å; I304-Y334 WeakPolarHBondContact CA-O 3.37Å; L305-Y334 PolarHBondContact N-O 2.92Å; Y334-V356 HydrophobicContact CD1-CG1 4.25Å; Y334-V357 CarbonylContact C-O 3.46Å; Y334-V357 VanDerWaalsContact CA-O 3.3Å; Y334-V357 WeakPolarHBondContact CA-O 3.47Å; Y334-D358 HydrophobicContact CD1-CB 4.27Å; Y334-D358 HydrophobicContact CE1-CB 3.8Å; Y334-P359 HydrophobicContact CD2-CG 3.75Å; Y334-P359 HydrophobicContact CE2-CG 3.76Å; Y334-P359 HydrophobicContact CG-CG 4.3Å; Y334-I379 HydrophobicContact CD1-CD1 3.64Å; Y334-I379 HydrophobicContact CD2-CD1 4.35Å; Y334-I379 HydrophobicContact CD2-CG2 3.92Å; Y334-I379 HydrophobicContact CE1-CD1 4.09Å; Y334-I379 HydrophobicContact CE2-CG2 4Å; Y334-I379 HydrophobicContact CG-CD1 3.79Å; Y334-I379 HydrophobicContact CG-CG2 4.41Å; Y334-D380 PolarHBondContact OH-N 3.33Å; Y334-D380 VanDerWaalsContact OH-N 3.17Å; Y334-D380 PolarHBondContact OH-O 2.68Å; Y334-L384 HydrophobicContact CD2-CD1 4.07Å; Y334-L384 HydrophobicContact CE2-CB 4.28Å
335	V	98.9	Very high	97.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.7	171.6	178.3	0	0	0	0	108.7	L305 F307 L324 R327 A328 V356 V357	L305-V335 HydrophobicContact CB-CG2 4.33Å; L305-V335 CarbonylContact O-C 3.54Å; L305-V335 WeakPolarHBondContact O-CA 3.35Å; F307-V335 HydrophobicContact CD2-CG1 3.81Å; F307-V335 HydrophobicContact CE2-CG1 4.21Å; L324-V335 HydrophobicContact CB-CG1 4.31Å; L324-V335 HydrophobicContact CD2-CG1 3.6Å; R327-V335 HydrophobicContact CB-CG2 4.18Å; A328-V335 HydrophobicContact CB-CB 4.26Å; A328-V335 HydrophobicContact CB-CG2 3.56Å; V335-V356 CarbonylContact O-C 3.59Å; V335-V356 WeakPolarHBondContact O-CA 3.5Å; V335-V357 HydrophobicContact CB-CB 4.26Å; V335-V357 PolarHBondContact N-O 3Å; V335-V357 PolarHBondContact O-N 2.91Å
336	V	98.9	Very high	97.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.4	-179	-179.4	0	0	0	0	109.1	I133 V135 F167 I304 L305 S306 F307 V356	I133-V336 HydrophobicContact CD1-CG1 4.13Å; I133-V336 HydrophobicContact CD1-CG2 3.61Å; V135-V336 HydrophobicContact CG1-CG1 4.45Å; V135-V336 HydrophobicContact CG2-CG1 3.61Å; F167-V336 HydrophobicContact CB-CG1 4.12Å; F167-V336 HydrophobicContact CD1-CB 4.37Å; F167-V336 HydrophobicContact CD1-CG1 3.58Å; F167-V336 HydrophobicContact CD2-CG1 3.79Å; F167-V336 HydrophobicContact CE1-CB 4.27Å; F167-V336 HydrophobicContact CE1-CG1 3.86Å; F167-V336 HydrophobicContact CE2-CG1 4.06Å; F167-V336 HydrophobicContact CG-CG1 3.55Å; F167-V336 HydrophobicContact CZ-CG1 4.09Å; I304-V336 HydrophobicContact CG2-CB 4.33Å; I304-V336 HydrophobicContact CG2-CG2 3.63Å; L305-V336 PolarHBondContact O-N 2.71Å; S306-V336 VanDerWaalsContact CA-O 3.24Å; S306-V336 WeakPolarHBondContact CA-O 3.33Å; F307-V336 PolarHBondContact N-O 3.32Å; V336-V356 HydrophobicContact CG2-CG1 4.32Å; V336-V356 HydrophobicContact CG2-CG2 4.48Å
337	A	98.8	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	91.3	-173.5	0	0	0	0	0	110.8	F307 W320 L324 A354 M355	F307-A337 HydrophobicContact CB-CB 4.49Å; W320-A337 HydrophobicContact CH2-CB 3.76Å; W320-A337 HydrophobicContact CZ2-CB 3.61Å; L324-A337 HydrophobicContact CD1-CB 3.72Å; L324-A337 HydrophobicContact CD2-CB 3.67Å; L324-A337 HydrophobicContact CG-CB 4.39Å; A337-A354 CarbonylContact O-C 3.42Å; A337-A354 WeakPolarHBondContact O-CA 3.43Å; A337-A354 WeakPolarHBondContact O-CB 3.44Å; A337-M355 PolarHBondContact N-O 2.8Å; A337-M355 PolarHBondContact O-N 3.19Å
338	A	98.8	Very high	96.5	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.017	19%	0.189	C	C	.	.			trans	-69.2	138.7	167.6	0	0	0	0	0	109.7	V135 C136 F167 F168 P169 P308 S309	V135-A338 HydrophobicContact CG1-CB 3.89Å; C136-A338 WeakPolarHBondContact O-CB 3.23Å; F167-A338 HydrophobicContact CB-CB 4.14Å; F167-A338 WeakPolarHBondContact O-CB 3.27Å; F168-A338 WeakPolarHBondContact O-CB 3.41Å; P169-A338 HydrophobicContact CB-CB 4.27Å; P308-A338 CarbonylContact C-O 3.59Å; P308-A338 VanDerWaalsContact CA-O 3.26Å; P308-A338 WeakPolarHBondContact CA-O 3.42Å; S309-A338 PolarHBondContact N-O 2.94Å
339	A	98.7	Very high	96.3	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.017	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.8	-172	0	0	0	0	0	113.6	C136 Q137 M138 P169 S309 W320 G352 A354	C136-A339 PolarHBondContact O-N 2.78Å; Q137-A339 VanDerWaalsContact CA-O 3.3Å; Q137-A339 WeakPolarHBondContact CA-O 3.42Å; Q137-A339 WeakPolarHBondContact CG-O 3.14Å; M138-A339 PolarHBondContact N-O 3.11Å; P169-A339 VanDerWaalsContact CB-C 3.41Å; S309-A339 CarbonylContact O-C 3.58Å; S309-A339 WeakPolarHBondContact O-CA 3.44Å; W320-A339 HydrophobicContact CZ2-CB 4.1Å; A339-G352 WeakPolarHBondContact CB-O 3.43Å; A339-A354 HydrophobicContact CB-CB 3.82Å
340	Q	98.4	Very high	96.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	148.4	159.3	-67.1	-73.2	-14	0	0	110.1	M138 S140 P169 E170 C171 M175 S309 A310 H344 S350 G352	M138-Q340 CarbonylContact O-C 3.54Å; M138-Q340 WeakPolarHBondContact O-CA 3.31Å; M138-Q340 PolarHBondContact O-OE1 2.89Å; S140-Q340 PolarHBondContact OG-NE2 3.07Å; P169-Q340 HydrophobicContact CB-CG 4.13Å; P169-Q340 HydrophobicContact CG-CG 4.2Å; E170-Q340 VanDerWaalsContact O-CG 3.23Å; E170-Q340 WeakPolarHBondContact O-CG 3.38Å; E170-Q340 PolarHBondContact O-NE2 3.07Å; C171-Q340 PolarHBondContact O-NE2 3.19Å; M175-Q340 HydrophobicContact CE-CB 4.09Å; M175-Q340 HydrophobicContact CE-CG 3.54Å; S309-Q340 PolarHBondContact O-N 2.86Å; A310-Q340 HydrophobicContact CB-CB 3.97Å; A310-Q340 HydrophobicContact CB-CG 3.8Å; Q340-H344 PolarHBondContact OE1-CE1 2.84Å; Q340-H344 VanDerWaalsContact OE1-CE1 3.3Å; Q340-S350 VanDerWaalsContact O-CB 3.32Å; Q340-S350 WeakPolarHBondContact O-CB 3.06Å; Q340-G352 WeakPolarHBondContact O-CA 3.5Å; Q340-G352 PolarHBondContact O-N 3.13Å
341	F	97.8	Very high	96.3	Very high	8 Å²	8	37 Å²	37	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.4	176.3	87	-71.3	0	0	0	113.4	Q137 M138 R139 S350 N369 P372	Q137-F341 HydrophobicContact CG-CB 3.86Å; Q137-F341 HydrophobicContact CG-CD1 3.48Å; Q137-F341 VanDerWaalsContact CG-CD1 3.48Å; Q137-F341 HydrophobicContact CG-CE1 4.34Å; Q137-F341 HydrophobicContact CG-CG 3.84Å; M138-F341 VanDerWaalsContact C-CD1 3.49Å; M138-F341 VanDerWaalsContact O-CD1 3.28Å; M138-F341 WeakPolarHBondContact O-CD1 3.06Å; M138-F341 PolarHBondContact O-N 2.94Å; R139-F341 HydrophobicContact CB-CD1 4.12Å; R139-F341 HydrophobicContact CB-CE1 3.76Å; R139-F341 HydrophobicContact CB-CZ 4.29Å; R139-F341 VanDerWaalsContact CB-O 3.27Å; R139-F341 WeakPolarHBondContact CB-O 3.35Å; R139-F341 WeakPolarHBondContact CD-O 3.15Å; R139-F341 WeakPolarHBondContact CG-O 3.45Å; F341-S350 CarbonylContact C-O 3.52Å; F341-N369 WeakPolarHBondContact CD2-O 3.5Å; F341-N369 WeakPolarHBondContact CE2-O 3.43Å; F341-P372 HydrophobicContact CE1-CB 4.33Å; F341-P372 HydrophobicContact CE1-CG 4.01Å; F341-P372 HydrophobicContact CZ-CG 4.18Å; F341-P372 VanDerWaalsContact CZ-N 3.31Å
342	G	96.3	Very high	96.2	Very high	27 Å²	27	35.9 Å²	35.9	28%	0.278	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.4	-163.1	171.3	0	0	0	0	0	113.4	S349 S350	G342-S349 CarbonylContact O-C 3.54Å; G342-S349 WeakPolarHBondContact O-CA 3.41Å; G342-S349 WeakPolarHBondContact O-CB 3.41Å; G342-S350 PolarHBondContact N-O 3Å; G342-S350 PolarHBondContact O-N 3.04Å
343	K	95.8	Very high	96.2	Very high	126 Å²	126	38 Å²	38	55%	0.548	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.3	-176.1	-174.7	177.5	-177.7	-179.6	0	111.2	R139 N345	R139-K343 VanDerWaalsContact CD-O 3.26Å; R139-K343 WeakPolarHBondContact CD-O 3.23Å; K343-N345 WeakPolarHBondContact CE-O 3.46Å; K343-N345 WeakPolarHBondContact CG-O 3.46Å
344	H	94.9	Very high	96.2	Very high	13 Å²	13	38 Å²	38	6%	0.06	18%	0.183	C	C	.	.			trans	-83.3	-40.8	-179	-59.2	-74	0	0	0	112.5	S140 M175 Q340 R348 S350	S140-H344 PolarHBondContact O-ND1 3.41Å; M175-H344 HydrophobicContact CB-CB 4.16Å; M175-H344 HydrophobicContact CG-CB 3.78Å; Q340-H344 PolarHBondContact OE1-CE1 2.84Å; Q340-H344 VanDerWaalsContact OE1-CE1 3.3Å; H344-R348 HydrophobicContact CB-CB 4.49Å; H344-R348 PolarHBondContact N-O 2.73Å; H344-S350 VanDerWaalsContact NE2-CB 3.29Å; H344-S350 WeakPolarHBondContact NE2-CB 3.48Å; H344-S350 PolarHBondContact NE2-OG 3.13Å; H344-S350 VanDerWaalsContact NE2-OG 3.16Å
345	N	92.8	Very high	96.2	Very high	34 Å²	34	37.7 Å²	37.7	18%	0.182	18%	0.182	C	C	.	.	S	Bend	trans	-154.5	-170.5	177.1	59.3	49.4	0	0	0	109.3	E176 K343 K347 R348	E176-N345 PolarHBondContact O-ND2 3.45Å; K343-N345 WeakPolarHBondContact CE-O 3.46Å; K343-N345 WeakPolarHBondContact CG-O 3.46Å; N345-K347 PolarHBondContact O-N 3.1Å; N345-K347 PolarHBondContact OD1-N 3.21Å; N345-R348 PolarHBondContact N-O 2.69Å; N345-R348 WeakPolarHBondContact OD1-CB 3.31Å; N345-R348 PolarHBondContact OD1-N 3.06Å
346	E	91.2	Very high	96.2	Very high	176 Å²	176	37.6 Å²	37.6	82%	0.822	18%	0.182	S	C	*	.	S	Bend	trans	-59.8	-29.5	-178.2	-66.4	-175.7	167.7	0	0	114.1
347	K	87.5	Confident	96.2	Very high	194 Å²	194	37.6 Å²	37.6	84%	0.843	18%	0.182	S	C	*	.	S	Bend	trans	-111.8	-15.5	-170.2	-60.3	-178.6	-176.4	176.9	0	114	N345	N345-K347 PolarHBondContact O-N 3.1Å; N345-K347 PolarHBondContact OD1-N 3.21Å
348	R	90.5	Very high	96.2	Very high	58 Å²	58	38.1 Å²	38.1	22%	0.219	18%	0.184	C	C	.	.			trans	-124	125.9	-173.3	-168.9	172.8	-179.5	-175.6	-3.4	112.2	M175 E176 H344 N345	M175-R348 PolarHBondContact SD-NE 3.17Å; M175-R348 VanDerWaalsContact SD-NE 3.45Å; M175-R348 PolarHBondContact SD-NH1 2.96Å; E176-R348 IonicContact OE1-CZ 2.71Å; E176-R348 IonicContact OE1-NH1 3.62Å; E176-R348 PolarHBondContact OE1-NH1 2.93Å; E176-R348 IonicContact OE2-NH1 3.39Å; E176-R348 PolarHBondContact OE2-NH1 2.8Å; H344-R348 HydrophobicContact CB-CB 4.49Å; H344-R348 PolarHBondContact N-O 2.73Å; N345-R348 PolarHBondContact N-O 2.69Å; N345-R348 WeakPolarHBondContact OD1-CB 3.31Å; N345-R348 PolarHBondContact OD1-N 3.06Å
349	S	94.7	Very high	96.2	Very high	48 Å²	48	38 Å²	38	34%	0.336	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.8	171.9	-59.9	0	0	0	0	110.5	G342	G342-S349 CarbonylContact O-C 3.54Å; G342-S349 WeakPolarHBondContact O-CA 3.41Å; G342-S349 WeakPolarHBondContact O-CB 3.41Å
350	S	96.6	Very high	96.2	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.028	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	151.5	178.1	-70.2	0	0	0	0	113.2	A310 F311 Q340 F341 G342 H344 G352	A310-S350 PolarHBondContact O-OG 2.91Å; F311-S350 CarbonylContact O-C 3.6Å; F311-S350 WeakPolarHBondContact O-CA 3.28Å; F311-S350 WeakPolarHBondContact O-CB 3.36Å; Q340-S350 VanDerWaalsContact O-CB 3.32Å; Q340-S350 WeakPolarHBondContact O-CB 3.06Å; F341-S350 CarbonylContact C-O 3.52Å; G342-S350 PolarHBondContact N-O 3Å; G342-S350 PolarHBondContact O-N 3.04Å; H344-S350 VanDerWaalsContact NE2-CB 3.29Å; H344-S350 WeakPolarHBondContact NE2-CB 3.48Å; H344-S350 PolarHBondContact NE2-OG 3.13Å; H344-S350 VanDerWaalsContact NE2-OG 3.16Å; S350-G352 PolarHBondContact O-N 3Å
351	Y	97.4	Very high	96.2	Very high	47 Å²	47	44.7 Å²	44.7	18%	0.184	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-28.1	-171.4	-176.3	-118.3	0	0	0	114.5	F311 G316 M317 W320 H353	F311-Y351 PolarHBondContact O-N 3.47Å; G316-Y351 VanDerWaalsContact C-CE1 3.48Å; G316-Y351 WeakPolarHBondContact O-CE1 2.96Å; M317-Y351 HydrophobicContact CB-CD2 4.39Å; M317-Y351 HydrophobicContact CB-CE2 3.83Å; M317-Y351 HydrophobicContact CG-CE2 4.44Å; M317-Y351 VanDerWaalsContact N-CE2 3.34Å; W320-Y351 HydrophobicContact CB-CD1 3.83Å; W320-Y351 HydrophobicContact CB-CE1 3.79Å; W320-Y351 AromaticContact CD1-CD1 3.94Å; W320-Y351 AromaticContact CD1-CE1 3.87Å; W320-Y351 AromaticContact CG-CD1 3.93Å; W320-Y351 HydrophobicContact CG-CD1 3.93Å; W320-Y351 HydrophobicContact CG-CE1 4.07Å; Y351-H353 HydrophobicContact CD1-CB 4.13Å; Y351-H353 AromaticContact CD1-ND1 3.46Å; Y351-H353 WeakPolarHBondContact CD1-ND1 3.32Å; Y351-H353 AromaticContact CD2-ND1 3.94Å; Y351-H353 HydrophobicContact CE1-CB 3.86Å; Y351-H353 AromaticContact CE1-CE1 3.69Å; Y351-H353 AromaticContact CE1-CG 3.55Å; Y351-H353 AromaticContact CE1-ND1 3.17Å; Y351-H353 WeakPolarHBondContact CE1-ND1 3.12Å; Y351-H353 AromaticContact CE2-CE1 3.48Å; Y351-H353 VanDerWaalsContact CE2-CE1 3.48Å; Y351-H353 WeakPolarHBondContact CE2-CE1 3.34Å; Y351-H353 AromaticContact CE2-ND1 3.67Å; Y351-H353 AromaticContact CG-ND1 3.84Å; Y351-H353 AromaticContact CZ-CE1 3.26Å; Y351-H353 AromaticContact CZ-CG 3.91Å; Y351-H353 AromaticContact CZ-ND1 3.28Å; Y351-H353 VanDerWaalsContact CZ-ND1 3.28Å; Y351-H353 AromaticContact CZ-NE2 3.94Å; Y351-H353 PolarHBondContact O-ND1 3.24Å; Y351-H353 PolarHBondContact OH-CE1 2.91Å
352	G	97.5	Very high	96.2	Very high	2 Å²	2	48 Å²	48	2%	0.021	23%	0.227	C	C	.	.			trans	71.7	-134.1	-172.3	0	0	0	0	0	112.5	A339 Q340 S350 A354	A339-G352 WeakPolarHBondContact CB-O 3.43Å; Q340-G352 WeakPolarHBondContact O-CA 3.5Å; Q340-G352 PolarHBondContact O-N 3.13Å; S350-G352 PolarHBondContact O-N 3Å; G352-A354 VanDerWaalsContact C-N 3.29Å; G352-A354 PolarHBondContact O-N 2.77Å
353	H	98.1	Very high	96.3	Very high	46 Å²	46	49.4 Å²	49.4	21%	0.213	23%	0.227	C	C	.	.			trans	57	38.5	-177.9	-61	84.5	0	0	0	113.1	W320 Y351 M355 Q366 N369	W320-H353 PolarHBondContact NE1-O 3.36Å; Y351-H353 HydrophobicContact CD1-CB 4.13Å; Y351-H353 AromaticContact CD1-ND1 3.46Å; Y351-H353 WeakPolarHBondContact CD1-ND1 3.32Å; Y351-H353 AromaticContact CD2-ND1 3.94Å; Y351-H353 HydrophobicContact CE1-CB 3.86Å; Y351-H353 AromaticContact CE1-CE1 3.69Å; Y351-H353 AromaticContact CE1-CG 3.55Å; Y351-H353 AromaticContact CE1-ND1 3.17Å; Y351-H353 WeakPolarHBondContact CE1-ND1 3.12Å; Y351-H353 AromaticContact CE2-CE1 3.48Å; Y351-H353 VanDerWaalsContact CE2-CE1 3.48Å; Y351-H353 WeakPolarHBondContact CE2-CE1 3.34Å; Y351-H353 AromaticContact CE2-ND1 3.67Å; Y351-H353 AromaticContact CG-ND1 3.84Å; Y351-H353 AromaticContact CZ-CE1 3.26Å; Y351-H353 AromaticContact CZ-CG 3.91Å; Y351-H353 AromaticContact CZ-ND1 3.28Å; Y351-H353 VanDerWaalsContact CZ-ND1 3.28Å; Y351-H353 AromaticContact CZ-NE2 3.94Å; Y351-H353 PolarHBondContact O-ND1 3.24Å; Y351-H353 PolarHBondContact OH-CE1 2.91Å; H353-M355 HydrophobicContact CB-CE 4.35Å; H353-M355 WeakPolarHBondContact O-CE 3.23Å; H353-M355 PolarHBondContact O-N 2.9Å; H353-Q366 PolarHBondContact CD2-NE2 3.47Å; H353-Q366 VanDerWaalsContact CD2-NE2 3.31Å; H353-N369 PolarHBondContact CD2-ND2 2.97Å; H353-N369 VanDerWaalsContact CD2-ND2 3.27Å; H353-N369 PolarHBondContact CE1-ND2 3Å; H353-N369 VanDerWaalsContact CG-ND2 3.3Å; H353-N369 PolarHBondContact N-OD1 3.33Å; H353-N369 PolarHBondContact ND1-ND2 3.32Å; H353-N369 PolarHBondContact NE2-ND2 2.92Å
354	A	98.6	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.221	C	C	.	.			trans	-54.1	131.3	172.9	0	0	0	0	0	110.3	V135 Q137 A337 A339 G352 Q366 C367	V135-A354 HydrophobicContact CG1-CB 4.24Å; Q137-A354 HydrophobicContact CB-CB 3.83Å; Q137-A354 HydrophobicContact CG-CB 4.45Å; A337-A354 CarbonylContact O-C 3.42Å; A337-A354 WeakPolarHBondContact O-CA 3.43Å; A337-A354 WeakPolarHBondContact O-CB 3.44Å; A339-A354 HydrophobicContact CB-CB 3.82Å; G352-A354 VanDerWaalsContact C-N 3.29Å; G352-A354 PolarHBondContact O-N 2.77Å; A354-Q366 CarbonylContact O-C 3.58Å; A354-Q366 VanDerWaalsContact O-CA 3.3Å; A354-Q366 WeakPolarHBondContact O-CA 3.43Å; A354-C367 HydrophobicContact CB-CB 4.1Å; A354-C367 PolarHBondContact O-N 3.17Å
355	M	98.7	Very high	96.6	Very high	2 Å²	2	47 Å²	47	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	166.8	-168.3	67.5	174.9	68.8	0	0	113.9	E321 L324 A337 H353 V357 I363 S365 Q366	E321-M355 HydrophobicContact CB-CE 4.41Å; L324-M355 HydrophobicContact CB-SD 4.49Å; L324-M355 HydrophobicContact CD1-CE 4.35Å; L324-M355 HydrophobicContact CD1-CG 3.71Å; L324-M355 HydrophobicContact CD1-SD 3.64Å; A337-M355 PolarHBondContact N-O 2.8Å; A337-M355 PolarHBondContact O-N 3.19Å; H353-M355 HydrophobicContact CB-CE 4.35Å; H353-M355 WeakPolarHBondContact O-CE 3.23Å; H353-M355 PolarHBondContact O-N 2.9Å; M355-V357 HydrophobicContact CG-CG2 4.35Å; M355-V357 HydrophobicContact SD-CG2 3.91Å; M355-I363 HydrophobicContact CB-CG2 4.32Å; M355-I363 HydrophobicContact SD-CD1 4.46Å; M355-I363 HydrophobicContact SD-CG1 4.2Å; M355-S365 CarbonylContact C-O 3.55Å; M355-S365 WeakPolarHBondContact CA-O 3.45Å; M355-S365 WeakPolarHBondContact CB-O 3.29Å; M355-Q366 HydrophobicContact CB-CB 4.21Å; M355-Q366 HydrophobicContact CB-CG 4.13Å
356	V	98.8	Very high	96.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.5	167.8	-176	0	0	0	0	108.7	I133 V135 Y334 V335 V336 V364 S365 A377 I379	I133-V356 HydrophobicContact CD1-CG1 4.43Å; I133-V356 HydrophobicContact CD1-CG2 3.91Å; V135-V356 HydrophobicContact CG2-CG2 3.47Å; V135-V356 VanDerWaalsContact CG2-CG2 3.47Å; Y334-V356 HydrophobicContact CD1-CG1 4.25Å; V335-V356 CarbonylContact O-C 3.59Å; V335-V356 WeakPolarHBondContact O-CA 3.5Å; V336-V356 HydrophobicContact CG2-CG1 4.32Å; V336-V356 HydrophobicContact CG2-CG2 4.48Å; V356-V364 HydrophobicContact CB-CG2 3.79Å; V356-V364 HydrophobicContact CG1-CG2 3.59Å; V356-V364 WeakPolarHBondContact O-CG2 3.1Å; V356-V364 PolarHBondContact O-N 3Å; V356-S365 PolarHBondContact N-O 3.26Å; V356-S365 PolarHBondContact O-N 3.49Å; V356-A377 HydrophobicContact CB-CB 3.86Å; V356-A377 HydrophobicContact CG1-CB 3.88Å; V356-A377 HydrophobicContact CG2-CB 3.78Å; V356-I379 HydrophobicContact CG1-CD1 4.43Å
357	V	98.9	Very high	97.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.9	175.6	-169.7	0	0	0	0	109.3	L324 R325 A328 Y334 V335 M355 N362 I363	L324-V357 HydrophobicContact CB-CG2 4.32Å; R325-V357 HydrophobicContact CB-CG1 4.5Å; R325-V357 HydrophobicContact CG-CG1 3.97Å; R325-V357 HydrophobicContact CG-CG2 4.17Å; A328-V357 HydrophobicContact CB-CB 4.01Å; A328-V357 HydrophobicContact CB-CG1 3.61Å; Y334-V357 CarbonylContact C-O 3.46Å; Y334-V357 VanDerWaalsContact CA-O 3.3Å; Y334-V357 WeakPolarHBondContact CA-O 3.47Å; V335-V357 HydrophobicContact CB-CB 4.26Å; V335-V357 PolarHBondContact N-O 3Å; V335-V357 PolarHBondContact O-N 2.91Å; M355-V357 HydrophobicContact CG-CG2 4.35Å; M355-V357 HydrophobicContact SD-CG2 3.91Å; V357-N362 CarbonylContact C-O 3.42Å; V357-N362 VanDerWaalsContact CA-O 3.28Å; V357-N362 WeakPolarHBondContact CA-O 3.12Å; V357-N362 WeakPolarHBondContact CG1-O 3.41Å; V357-I363 HydrophobicContact CG2-CG1 4.36Å
358	D	98.6	Very high	97.3	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.059	18%	0.177	C	C	.	.			trans	-79	167.4	177.4	78.1	11.2	0	0	0	113	A328 Y334 W360 G361 N362 V364 F383	A328-D358 WeakPolarHBondContact CB-O 3.37Å; Y334-D358 HydrophobicContact CD1-CB 4.27Å; Y334-D358 HydrophobicContact CE1-CB 3.8Å; D358-W360 PolarHBondContact O-N 3.14Å; D358-W360 WeakPolarHBondContact OD1-CA 3.35Å; D358-W360 WeakPolarHBondContact OD1-CB 3.39Å; D358-W360 PolarHBondContact OD1-N 3.24Å; D358-G361 PolarHBondContact O-N 3.22Å; D358-G361 PolarHBondContact OD1-N 2.95Å; D358-N362 PolarHBondContact N-O 3.4Å; D358-N362 PolarHBondContact OD1-N 3.35Å; D358-N362 PolarHBondContact OD1-ND2 3.49Å; D358-N362 WeakPolarHBondContact OD2-CB 3.36Å; D358-N362 PolarHBondContact OD2-ND2 2.93Å; D358-V364 HydrophobicContact CB-CG1 3.79Å; D358-F383 HydrophobicContact CB-CE1 4.09Å
359	P	98.4	Very high	97.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-9.6	178.1	-27	35.9	0	0	0	116.1	Q332 Y334 L384 V387	Q332-P359 HydrophobicContact CB-CB 4.4Å; Y334-P359 HydrophobicContact CD2-CG 3.75Å; Y334-P359 HydrophobicContact CE2-CG 3.76Å; Y334-P359 HydrophobicContact CG-CG 4.3Å; P359-L384 HydrophobicContact CG-CB 3.79Å; P359-L384 HydrophobicContact CG-CD1 3.92Å; P359-L384 HydrophobicContact CG-CG 3.93Å; P359-V387 HydrophobicContact CB-CB 4.33Å; P359-V387 HydrophobicContact CB-CG1 4.22Å; P359-V387 HydrophobicContact CB-CG2 4.37Å
360	W	98.1	Very high	97	Very high	142 Å²	142	38.3 Å²	38.3	54%	0.538	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-9.2	175.4	-163.9	-106.2	0	0	0	112.4	D358 F383 V387	D358-W360 PolarHBondContact O-N 3.14Å; D358-W360 WeakPolarHBondContact OD1-CA 3.35Å; D358-W360 WeakPolarHBondContact OD1-CB 3.39Å; D358-W360 PolarHBondContact OD1-N 3.24Å; W360-F383 HydrophobicContact CB-CZ 4.14Å; W360-V387 HydrophobicContact CE3-CG1 3.94Å; W360-V387 HydrophobicContact CE3-CG2 4.27Å; W360-V387 HydrophobicContact CZ3-CG1 4.38Å
361	G	98.2	Very high	96.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	92.8	15.1	-179	0	0	0	0	0	114.4	R325 D358	R325-G361 PolarHBondContact NE-O 3.47Å; R325-G361 PolarHBondContact NH2-O 3.32Å; D358-G361 PolarHBondContact O-N 3.22Å; D358-G361 PolarHBondContact OD1-N 2.95Å
362	N	98.5	Very high	96.6	Very high	77 Å²	77	44 Å²	44	41%	0.412	23%	0.233	S	C	.	.			trans	-84.3	136.4	172.8	-51.6	-56.5	0	0	0	110.4	V357 D358 V364	V357-N362 CarbonylContact C-O 3.42Å; V357-N362 VanDerWaalsContact CA-O 3.28Å; V357-N362 WeakPolarHBondContact CA-O 3.12Å; V357-N362 WeakPolarHBondContact CG1-O 3.41Å; D358-N362 PolarHBondContact N-O 3.4Å; D358-N362 PolarHBondContact OD1-N 3.35Å; D358-N362 PolarHBondContact OD1-ND2 3.49Å; D358-N362 WeakPolarHBondContact OD2-CB 3.36Å; D358-N362 PolarHBondContact OD2-ND2 2.93Å; N362-V364 PolarHBondContact O-N 2.9Å
363	I	98.5	Very high	96.6	Very high	57 Å²	57	44.3 Å²	44.3	29%	0.292	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	108.7	169.3	-59.9	159.6	0	0	0	107.5	E321 R325 M355 V357 Q366	E321-I363 HydrophobicContact CG-CD1 3.93Å; R325-I363 HydrophobicContact CG-CG1 4.46Å; M355-I363 HydrophobicContact CB-CG2 4.32Å; M355-I363 HydrophobicContact SD-CD1 4.46Å; M355-I363 HydrophobicContact SD-CG1 4.2Å; V357-I363 HydrophobicContact CG2-CG1 4.36Å; I363-Q366 HydrophobicContact CG2-CB 4.23Å
364	V	98.1	Very high	96.5	Very high	68 Å²	68	43 Å²	43	41%	0.412	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-17	-177.2	-65.2	0	0	0	0	112.9	V356 D358 N362 A377	V356-V364 HydrophobicContact CB-CG2 3.79Å; V356-V364 HydrophobicContact CG1-CG2 3.59Å; V356-V364 WeakPolarHBondContact O-CG2 3.1Å; V356-V364 PolarHBondContact O-N 3Å; D358-V364 HydrophobicContact CB-CG1 3.79Å; N362-V364 PolarHBondContact O-N 2.9Å; V364-A377 HydrophobicContact CG2-CB 4.09Å
365	S	97.8	Very high	96.5	Very high	21 Å²	21	43.4 Å²	43.4	15%	0.147	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	146.7	176.1	-159.1	0	0	0	0	111.2	M355 V356 C375 F376	M355-S365 CarbonylContact C-O 3.55Å; M355-S365 WeakPolarHBondContact CA-O 3.45Å; M355-S365 WeakPolarHBondContact CB-O 3.29Å; V356-S365 PolarHBondContact N-O 3.26Å; V356-S365 PolarHBondContact O-N 3.49Å; S365-C375 VanDerWaalsContact OG-CB 3.31Å; S365-C375 WeakPolarHBondContact OG-CB 3.5Å; S365-F376 WeakPolarHBondContact CB-O 3.41Å; S365-F376 PolarHBondContact OG-N 2.93Å; S365-F376 PolarHBondContact OG-O 3.38Å
366	Q	98.2	Very high	96.4	Very high	77 Å²	77	44.8 Å²	44.8	36%	0.36	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	142.7	179.5	-171.8	171.3	22.6	0	0	111.2	H353 A354 M355 I363	H353-Q366 PolarHBondContact CD2-NE2 3.47Å; H353-Q366 VanDerWaalsContact CD2-NE2 3.31Å; A354-Q366 CarbonylContact O-C 3.58Å; A354-Q366 VanDerWaalsContact O-CA 3.3Å; A354-Q366 WeakPolarHBondContact O-CA 3.43Å; M355-Q366 HydrophobicContact CB-CB 4.21Å; M355-Q366 HydrophobicContact CB-CG 4.13Å; I363-Q366 HydrophobicContact CG2-CB 4.23Å
367	C	97.3	Very high	96.4	Very high	10 Å²	10	45.1 Å²	45.1	7%	0.068	24%	0.241	C	C	.	.			trans	-75.8	152.6	176.3	-75.9	0	0	0	0	112.5	V135 Q137 A354 S373 C375	V135-C367 PolarHBondContact O-SG 3.09Å; Q137-C367 HydrophobicContact CB-CB 3.76Å; Q137-C367 HydrophobicContact CG-CB 4.43Å; A354-C367 HydrophobicContact CB-CB 4.1Å; A354-C367 PolarHBondContact O-N 3.17Å; C367-S373 WeakPolarHBondContact CB-OG 3.47Å; C367-C375 PolarHBondContact SG-N 3.29Å; C367-C375 VanDerWaalsContact SG-N 3.38Å
368	S	91.9	Very high	96.3	Very high	59 Å²	59	47.2 Å²	47.2	41%	0.413	26%	0.256	S	S	.	.			trans	-76.1	146.1	165.2	61.7	0	0	0	0	110.5	Q137 S373	Q137-S368 PolarHBondContact NE2-O 3.41Å; S368-S373 PolarHBondContact O-OG 3.01Å
369	N	90.4	Very high	96.2	Very high	59 Å²	59	46.7 Å²	46.7	32%	0.316	25%	0.253	S	S	.	.	S	Bend	trans	-98.3	16.5	-177.4	-65.8	-35.5	0	0	0	114.6	Q137 F341 H353	Q137-N369 PolarHBondContact NE2-OD1 3.11Å; Q137-N369 PolarHBondContact OE1-OD1 3.47Å; F341-N369 WeakPolarHBondContact CD2-O 3.5Å; F341-N369 WeakPolarHBondContact CE2-O 3.43Å; H353-N369 PolarHBondContact CD2-ND2 2.97Å; H353-N369 VanDerWaalsContact CD2-ND2 3.27Å; H353-N369 PolarHBondContact CE1-ND2 3Å; H353-N369 VanDerWaalsContact CG-ND2 3.3Å; H353-N369 PolarHBondContact N-OD1 3.33Å; H353-N369 PolarHBondContact ND1-ND2 3.32Å; H353-N369 PolarHBondContact NE2-ND2 2.92Å
370	T	88.4	Confident	96.1	Very high	122 Å²	122	48.9 Å²	48.9	75%	0.748	26%	0.264	S	S	*	.	S	Bend	trans	-88.8	-37.8	-177.3	48.5	0	0	0	0	112.3
371	E	92.2	Very high	96	Very high	120 Å²	120	43 Å²	43	56%	0.561	24%	0.244	S	C	*	.	S	Bend	trans	-148.6	163.7	-175.2	62.9	-178	179.9	0	0	110.1	S373	E371-S373 PolarHBondContact O-N 2.69Å
372	P	94.2	Very high	95.9	Very high	49 Å²	49	46.4 Å²	46.4	32%	0.318	27%	0.266	S	S	.	.	S	Bend	trans	-53.8	124.5	171.8	-24.1	35.1	0	0	0	110.1	Q137 T150 F341	Q137-P372 CarbonylContact O-C 3.59Å; Q137-P372 WeakPolarHBondContact O-CA 3.46Å; T150-P372 HydrophobicContact CG2-CB 4.09Å; F341-P372 HydrophobicContact CE1-CB 4.33Å; F341-P372 HydrophobicContact CE1-CG 4.01Å; F341-P372 HydrophobicContact CZ-CG 4.18Å; F341-P372 VanDerWaalsContact CZ-N 3.31Å
373	S	95.6	Very high	95.9	Very high	9 Å²	9	46 Å²	46	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	171.6	-168	66.1	0	0	0	0	111.6	Q137 C367 S368 E371	Q137-S373 PolarHBondContact N-O 2.72Å; Q137-S373 PolarHBondContact O-N 2.91Å; Q137-S373 VanDerWaalsContact O-O 3.12Å; C367-S373 WeakPolarHBondContact CB-OG 3.47Å; S368-S373 PolarHBondContact O-OG 3.01Å; E371-S373 PolarHBondContact O-N 2.69Å
374	I	97.3	Very high	95.8	Very high	20 Å²	20	43.2 Å²	43.2	10%	0.103	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134.8	179.7	-167.5	168.1	0	0	0	108.3	A134 V135 L154 A158 F376	A134-I374 HydrophobicContact CB-CD1 3.48Å; A134-I374 VanDerWaalsContact CB-CD1 3.48Å; A134-I374 HydrophobicContact CB-CG1 3.89Å; V135-I374 WeakPolarHBondContact O-CA 3.35Å; L154-I374 HydrophobicContact CD2-CB 4.19Å; A158-I374 HydrophobicContact CB-CD1 3.86Å; I374-F376 HydrophobicContact CD1-CE1 4.5Å; I374-F376 HydrophobicContact CD1-CZ 4.19Å; I374-F376 HydrophobicContact CG1-CE2 4.5Å; I374-F376 HydrophobicContact CG1-CZ 4.34Å; I374-F376 HydrophobicContact CG2-CE2 3.81Å; I374-F376 HydrophobicContact CG2-CZ 4.04Å
375	C	97.7	Very high	95.7	Very high	7 Å²	7	44.5 Å²	44.5	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	153.7	171.2	74.7	0	0	0	0	110.1	A134 V135 S365 C367	A134-C375 WeakPolarHBondContact CA-O 3.44Å; V135-C375 PolarHBondContact N-O 2.99Å; V135-C375 PolarHBondContact O-N 3.19Å; S365-C375 VanDerWaalsContact OG-CB 3.31Å; S365-C375 WeakPolarHBondContact OG-CB 3.5Å; C367-C375 PolarHBondContact SG-N 3.29Å; C367-C375 VanDerWaalsContact SG-N 3.38Å
376	F	98.1	Very high	95.7	Very high	32 Å²	32	46.2 Å²	46.2	14%	0.14	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.1	-175.1	-64.8	-88.9	0	0	0	110.1	L132 I133 A134 R161 A163 S365 I374	L132-F376 HydrophobicContact CD1-CB 4.2Å; L132-F376 HydrophobicContact CD2-CD1 4.02Å; L132-F376 HydrophobicContact CG-CD1 4.36Å; I133-F376 WeakPolarHBondContact O-CA 3.38Å; A134-F376 HydrophobicContact CB-CD1 3.83Å; A134-F376 HydrophobicContact CB-CE1 3.65Å; A134-F376 HydrophobicContact CB-CZ 4.46Å; R161-F376 HydrophobicContact CB-CD1 4.18Å; R161-F376 HydrophobicContact CB-CE1 3.74Å; R161-F376 HydrophobicContact CB-CZ 4.14Å; R161-F376 HydrophobicContact CG-CE1 4.07Å; R161-F376 HydrophobicContact CG-CE2 4.39Å; R161-F376 HydrophobicContact CG-CZ 3.96Å; A163-F376 HydrophobicContact CB-CE1 4.46Å; S365-F376 WeakPolarHBondContact CB-O 3.41Å; S365-F376 PolarHBondContact OG-N 2.93Å; S365-F376 PolarHBondContact OG-O 3.38Å; I374-F376 HydrophobicContact CD1-CE1 4.5Å; I374-F376 HydrophobicContact CD1-CZ 4.19Å; I374-F376 HydrophobicContact CG1-CE2 4.5Å; I374-F376 HydrophobicContact CG1-CZ 4.34Å; I374-F376 HydrophobicContact CG2-CE2 3.81Å; I374-F376 HydrophobicContact CG2-CZ 4.04Å
377	A	97.6	Very high	95.7	Very high	7 Å²	7	42.8 Å²	42.8	6%	0.058	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	144	176.1	0	0	0	0	0	111	I133 V356 V364	I133-A377 HydrophobicContact CG1-CB 4.13Å; I133-A377 VanDerWaalsContact CG1-O 3.3Å; I133-A377 WeakPolarHBondContact CG1-O 3.46Å; I133-A377 PolarHBondContact N-O 3.14Å; I133-A377 PolarHBondContact O-N 2.75Å; I133-A377 VanDerWaalsContact O-N 3.14Å; V356-A377 HydrophobicContact CB-CB 3.86Å; V356-A377 HydrophobicContact CG1-CB 3.88Å; V356-A377 HydrophobicContact CG2-CB 3.78Å; V364-A377 HydrophobicContact CG2-CB 4.09Å
378	S	96.6	Very high	95.7	Very high	44 Å²	44	43.9 Å²	43.9	31%	0.308	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.2	168.5	-75	0	0	0	0	110	E130	E130-S378 WeakPolarHBondContact OE2-CB 3.34Å; E130-S378 PolarHBondContact OE2-OG 2.88Å
379	I	97.5	Very high	95.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.4	168.1	-55.7	-58.1	0	0	0	109	A131 I133 V277 I304 Y334 V356 L381	A131-I379 PolarHBondContact N-O 3.34Å; A131-I379 PolarHBondContact O-N 2.89Å; I133-I379 HydrophobicContact CD1-CD1 3.78Å; I133-I379 HydrophobicContact CD1-CG1 4.09Å; I133-I379 HydrophobicContact CG1-CD1 4.18Å; I133-I379 HydrophobicContact CG1-CG1 4.1Å; I133-I379 HydrophobicContact CG2-CG1 3.9Å; V277-I379 WeakPolarHBondContact O-CG2 3.25Å; I304-I379 HydrophobicContact CD1-CG1 4.43Å; I304-I379 HydrophobicContact CD1-CG2 4.16Å; I304-I379 HydrophobicContact CG1-CG2 4.49Å; Y334-I379 HydrophobicContact CD1-CD1 3.64Å; Y334-I379 HydrophobicContact CD2-CD1 4.35Å; Y334-I379 HydrophobicContact CD2-CG2 3.92Å; Y334-I379 HydrophobicContact CE1-CD1 4.09Å; Y334-I379 HydrophobicContact CE2-CG2 4Å; Y334-I379 HydrophobicContact CG-CD1 3.79Å; Y334-I379 HydrophobicContact CG-CG2 4.41Å; V356-I379 HydrophobicContact CG1-CD1 4.43Å; I379-L381 HydrophobicContact CG2-CD2 3.91Å; I379-L381 HydrophobicContact CG2-CG 4.48Å
380	D	96.5	Very high	96.2	Very high	47 Å²	47	56.8 Å²	56.8	25%	0.251	28%	0.284	S	S	.	.			trans	-108.6	93.5	178.8	-177.7	-7.7	0	0	0	109.9	E130 Y334 P382 F383 L384	E130-D380 HydrophobicContact CG-CB 4.49Å; Y334-D380 PolarHBondContact OH-N 3.33Å; Y334-D380 VanDerWaalsContact OH-N 3.17Å; Y334-D380 PolarHBondContact OH-O 2.68Å; D380-P382 VanDerWaalsContact OD1-CB 3.29Å; D380-P382 WeakPolarHBondContact OD1-CB 3.21Å; D380-P382 WeakPolarHBondContact OD1-CD 3.3Å; D380-P382 WeakPolarHBondContact OD1-CG 3.29Å; D380-P382 VanDerWaalsContact OD1-N 3.16Å; D380-F383 HydrophobicContact CB-CB 3.86Å; D380-F383 VanDerWaalsContact CG-CB 3.42Å; D380-F383 WeakPolarHBondContact O-CB 3.3Å; D380-F383 PolarHBondContact O-N 3.17Å; D380-F383 PolarHBondContact OD1-N 2.81Å; D380-F383 WeakPolarHBondContact OD2-CB 3.31Å; D380-L384 PolarHBondContact O-N 3.28Å; D380-L384 VanDerWaalsContact O-N 3.08Å
381	L	96.4	Very high	96.5	Very high	19 Å²	19	55 Å²	55	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-40.2	176.4	-59.2	-174.9	0	0	0	112.6	M128 E303 I379 F383 L384 Q385	M128-L381 HydrophobicContact CE-CB 4.16Å; M128-L381 HydrophobicContact CE-CD1 3.4Å; M128-L381 HydrophobicContact CE-CG 3.6Å; M128-L381 HydrophobicContact SD-CD1 4.08Å; E303-L381 HydrophobicContact CB-CD2 4.02Å; E303-L381 HydrophobicContact CG-CD2 4.4Å; I379-L381 HydrophobicContact CG2-CD2 3.91Å; I379-L381 HydrophobicContact CG2-CG 4.48Å; L381-F383 VanDerWaalsContact C-N 3.31Å; L381-F383 PolarHBondContact O-N 3.24Å; L381-L384 WeakPolarHBondContact O-CB 3.32Å; L381-L384 PolarHBondContact O-N 2.96Å; L381-L384 VanDerWaalsContact O-N 3.17Å; L381-Q385 WeakPolarHBondContact O-CG 3.43Å; L381-Q385 PolarHBondContact O-N 2.9Å
382	P	96	Very high	96.7	Very high	71 Å²	71	51.1 Å²	51.1	46%	0.461	26%	0.255	S	S	.	.	H	α-helix	trans	-52	-42.8	168.4	-28.5	31.9	0	0	0	114.9	D380 Q385 T386	D380-P382 VanDerWaalsContact OD1-CB 3.29Å; D380-P382 WeakPolarHBondContact OD1-CB 3.21Å; D380-P382 WeakPolarHBondContact OD1-CD 3.3Å; D380-P382 WeakPolarHBondContact OD1-CG 3.29Å; D380-P382 VanDerWaalsContact OD1-N 3.16Å; P382-Q385 PolarHBondContact O-N 3.36Å; P382-T386 PolarHBondContact O-N 3.36Å; P382-T386 PolarHBondContact O-OG1 3.18Å
383	F	97	Very high	96.7	Very high	67 Å²	67	50.8 Å²	50.8	29%	0.294	25%	0.25	S	C	.	.	H	α-helix	trans	-62.1	-47.2	173.5	173.3	-112.4	0	0	0	111.6	D358 W360 D380 L381 Q385 T386 V387	D358-F383 HydrophobicContact CB-CE1 4.09Å; W360-F383 HydrophobicContact CB-CZ 4.14Å; D380-F383 HydrophobicContact CB-CB 3.86Å; D380-F383 VanDerWaalsContact CG-CB 3.42Å; D380-F383 WeakPolarHBondContact O-CB 3.3Å; D380-F383 PolarHBondContact O-N 3.17Å; D380-F383 PolarHBondContact OD1-N 2.81Å; D380-F383 WeakPolarHBondContact OD2-CB 3.31Å; L381-F383 VanDerWaalsContact C-N 3.31Å; L381-F383 PolarHBondContact O-N 3.24Å; F383-Q385 VanDerWaalsContact C-N 3.31Å; F383-Q385 PolarHBondContact O-N 3.08Å; F383-T386 WeakPolarHBondContact O-CA 3.42Å; F383-T386 WeakPolarHBondContact O-CB 3.47Å; F383-T386 PolarHBondContact O-N 3.08Å; F383-V387 HydrophobicContact CD1-CG2 4.43Å; F383-V387 HydrophobicContact CD2-CG2 4.29Å; F383-V387 HydrophobicContact CE1-CG2 3.99Å; F383-V387 HydrophobicContact CE2-CG2 3.82Å; F383-V387 HydrophobicContact CZ-CG2 3.66Å; F383-V387 WeakPolarHBondContact O-CG2 3.12Å; F383-V387 PolarHBondContact O-N 3.43Å
384	L	97.2	Very high	96.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-54.7	-45.7	175.5	175.9	152.3	0	0	0	112.2	E303 Y334 P359 D380 L381 T386 V387 R388	E303-L384 HydrophobicContact CB-CD1 3.84Å; E303-L384 HydrophobicContact CG-CD1 4.32Å; E303-L384 HydrophobicContact CG-CD2 4.28Å; E303-L384 VanDerWaalsContact O-CD1 3.24Å; E303-L384 WeakPolarHBondContact O-CD1 3.48Å; Y334-L384 HydrophobicContact CD2-CD1 4.07Å; Y334-L384 HydrophobicContact CE2-CB 4.28Å; P359-L384 HydrophobicContact CG-CB 3.79Å; P359-L384 HydrophobicContact CG-CD1 3.92Å; P359-L384 HydrophobicContact CG-CG 3.93Å; D380-L384 PolarHBondContact O-N 3.28Å; D380-L384 VanDerWaalsContact O-N 3.08Å; L381-L384 WeakPolarHBondContact O-CB 3.32Å; L381-L384 PolarHBondContact O-N 2.96Å; L381-L384 VanDerWaalsContact O-N 3.17Å; L384-T386 VanDerWaalsContact C-N 3.32Å; L384-T386 PolarHBondContact O-N 2.7Å; L384-V387 PolarHBondContact O-N 3.38Å; L384-R388 HydrophobicContact CD2-CG 4.49Å; L384-R388 WeakPolarHBondContact O-CG 3.41Å; L384-R388 PolarHBondContact O-N 2.81Å
385	Q	96.2	Very high	96.1	Very high	94 Å²	94	57.4 Å²	57.4	44%	0.439	28%	0.284	S	S	.	.	H	α-helix	trans	-66.3	-36.2	177.6	-62.9	-58.1	-21.9	0	0	111.7	E303 L381 P382 F383 R388 K389	E303-Q385 PolarHBondContact OE1-NE2 3.31Å; L381-Q385 WeakPolarHBondContact O-CG 3.43Å; L381-Q385 PolarHBondContact O-N 2.9Å; P382-Q385 PolarHBondContact O-N 3.36Å; F383-Q385 VanDerWaalsContact C-N 3.31Å; F383-Q385 PolarHBondContact O-N 3.08Å; Q385-R388 PolarHBondContact O-N 2.77Å; Q385-K389 WeakPolarHBondContact O-CB 3.27Å; Q385-K389 PolarHBondContact O-N 2.62Å
386	T	97.2	Very high	95.8	Very high	57 Å²	57	63.2 Å²	63.2	35%	0.35	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-44.8	174	-61.1	0	0	0	0	111.5	P382 F383 L384 K389 R390	P382-T386 PolarHBondContact O-N 3.36Å; P382-T386 PolarHBondContact O-OG1 3.18Å; F383-T386 WeakPolarHBondContact O-CA 3.42Å; F383-T386 WeakPolarHBondContact O-CB 3.47Å; F383-T386 PolarHBondContact O-N 3.08Å; L384-T386 VanDerWaalsContact C-N 3.32Å; L384-T386 PolarHBondContact O-N 2.7Å; T386-K389 PolarHBondContact O-N 3.41Å; T386-R390 HydrophobicContact CG2-CG 4.35Å; T386-R390 WeakPolarHBondContact O-CB 3.22Å; T386-R390 WeakPolarHBondContact O-CG 3.42Å; T386-R390 PolarHBondContact O-N 2.79Å
387	V	97.6	Very high	95.4	Very high	6 Å²	6	63.7 Å²	63.7	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-49.3	175.7	171.7	0	0	0	0	110.7	Q332 P359 W360 F383 L384 K389 R390 L391	Q332-V387 HydrophobicContact CB-CG1 4.16Å; Q332-V387 HydrophobicContact CG-CG1 4.15Å; Q332-V387 PolarHBondContact NE2-O 2.97Å; P359-V387 HydrophobicContact CB-CB 4.33Å; P359-V387 HydrophobicContact CB-CG1 4.22Å; P359-V387 HydrophobicContact CB-CG2 4.37Å; W360-V387 HydrophobicContact CE3-CG1 3.94Å; W360-V387 HydrophobicContact CE3-CG2 4.27Å; W360-V387 HydrophobicContact CZ3-CG1 4.38Å; F383-V387 HydrophobicContact CD1-CG2 4.43Å; F383-V387 HydrophobicContact CD2-CG2 4.29Å; F383-V387 HydrophobicContact CE1-CG2 3.99Å; F383-V387 HydrophobicContact CE2-CG2 3.82Å; F383-V387 HydrophobicContact CZ-CG2 3.66Å; F383-V387 WeakPolarHBondContact O-CG2 3.12Å; F383-V387 PolarHBondContact O-N 3.43Å; L384-V387 PolarHBondContact O-N 3.38Å; V387-K389 VanDerWaalsContact C-N 3.3Å; V387-K389 PolarHBondContact O-N 3.14Å; V387-R390 PolarHBondContact O-N 3.29Å; V387-L391 PolarHBondContact O-N 2.83Å
388	R	97.6	Very high	95.1	Very high	33 Å²	33	69.3 Å²	69.3	13%	0.125	33%	0.334	C	S	.	.	H	α-helix	trans	-60.6	-36.8	178.2	-69.5	179.5	176.6	-172.4	-1.6	113	R298 A302 Q332 C333 L384 Q385 L391 P392	R298-R388 VanDerWaalsContact CD-NH2 3.28Å; R298-R388 VanDerWaalsContact CZ-CZ 3.48Å; R298-R388 VanDerWaalsContact NE-CZ 3.32Å; R298-R388 VanDerWaalsContact NH2-CD 3.32Å; A302-R388 PolarHBondContact O-NH2 2.88Å; Q332-R388 HydrophobicContact CB-CG 3.91Å; Q332-R388 PolarHBondContact O-NE 3.39Å; Q332-R388 PolarHBondContact O-NH2 3.2Å; C333-R388 PolarHBondContact SG-NH2 3.48Å; L384-R388 HydrophobicContact CD2-CG 4.49Å; L384-R388 WeakPolarHBondContact O-CG 3.41Å; L384-R388 PolarHBondContact O-N 2.81Å; Q385-R388 PolarHBondContact O-N 2.77Å; R388-L391 CarbonylContact O-C 3.45Å; R388-P392 VanDerWaalsContact O-CA 3.26Å; R388-P392 WeakPolarHBondContact O-CA 3.26Å
389	K	96.7	Very high	94.3	Very high	182 Å²	182	72.4 Å²	72.4	79%	0.791	34%	0.344	S	S	*	.	H	α-helix	trans	-72.9	-41.5	177.6	-173.8	179.5	-179	179.4	0	112.4	Q385 T386 V387	Q385-K389 WeakPolarHBondContact O-CB 3.27Å; Q385-K389 PolarHBondContact O-N 2.62Å; T386-K389 PolarHBondContact O-N 3.41Å; V387-K389 VanDerWaalsContact C-N 3.3Å; V387-K389 PolarHBondContact O-N 3.14Å
390	R	96.4	Very high	93.4	Very high	207 Å²	207	77.6 Å²	77.6	78%	0.781	37%	0.372	S	S	*	.	H	α-helix	trans	-70.8	-36.3	-179.1	-74.7	-178.9	178.9	-174.2	1	112.4	T386 V387	T386-R390 HydrophobicContact CG2-CG 4.35Å; T386-R390 WeakPolarHBondContact O-CB 3.22Å; T386-R390 WeakPolarHBondContact O-CG 3.42Å; T386-R390 PolarHBondContact O-N 2.79Å; V387-R390 PolarHBondContact O-N 3.29Å
391	L	95.4	Very high	92.9	Very high	84 Å²	84	81 Å²	81	44%	0.44	39%	0.389	S	S	.	.	S	Bend	trans	-128.3	82.1	178.4	-167	74	0	0	0	109.7	Q332 V387 R388 I393	Q332-L391 PolarHBondContact NE2-O 3.45Å; V387-L391 PolarHBondContact O-N 2.83Å; R388-L391 CarbonylContact O-C 3.45Å; L391-I393 HydrophobicContact CD2-CG2 3.75Å; L391-I393 HydrophobicContact CG-CG2 3.64Å; L391-I393 PolarHBondContact O-N 2.95Å
392	P	95.4	Very high	92.3	Very high	38 Å²	38	85 Å²	85	25%	0.247	40%	0.404	C	S	.	.			trans	-78.3	57.3	-171.9	32.6	-36.4	0	0	0	113.1	R388 M394 N395	R388-P392 VanDerWaalsContact O-CA 3.26Å; R388-P392 WeakPolarHBondContact O-CA 3.26Å; P392-M394 PolarHBondContact O-N 3.02Å; P392-M394 VanDerWaalsContact O-N 3.11Å; P392-N395 HydrophobicContact CB-CB 4.37Å; P392-N395 WeakPolarHBondContact O-CB 3.49Å; P392-N395 PolarHBondContact O-N 3.05Å
393	I	93.8	Very high	91.2	Very high	42 Å²	42	84.3 Å²	84.3	22%	0.215	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-54	-36.1	-173.5	64.6	-176.4	0	0	0	113.5	D330 Q332 L391 N395 H396 L397	D330-I393 WeakPolarHBondContact O-CD1 3.42Å; Q332-I393 HydrophobicContact CG-CD1 3.62Å; Q332-I393 HydrophobicContact CG-CG1 4.3Å; L391-I393 HydrophobicContact CD2-CG2 3.75Å; L391-I393 HydrophobicContact CG-CG2 3.64Å; L391-I393 PolarHBondContact O-N 2.95Å; I393-N395 PolarHBondContact O-N 2.93Å; I393-H396 PolarHBondContact O-N 3.14Å; I393-H396 VanDerWaalsContact O-N 3.07Å; I393-L397 PolarHBondContact O-N 3.18Å
394	M	90	Very high	90.2	Very high	33 Å²	33	82.3 Å²	82.3	16%	0.163	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-66	-27	180	-64.7	-56.3	-63.1	0	0	112.6	R298 Q299 P392 H396 L397	R298-M394 HydrophobicContact CG-CE 4.09Å; R298-M394 HydrophobicContact CG-CG 4.23Å; R298-M394 HydrophobicContact CG-SD 3.87Å; R298-M394 VanDerWaalsContact CZ-CG 3.48Å; Q299-M394 HydrophobicContact CG-CE 3.85Å; P392-M394 PolarHBondContact O-N 3.02Å; P392-M394 VanDerWaalsContact O-N 3.11Å; M394-H396 VanDerWaalsContact C-N 3.33Å; M394-L397 HydrophobicContact CE-CD1 3.71Å; M394-L397 HydrophobicContact SD-CD1 4.15Å
395	N	90.4	Very high	88.7	Confident	136 Å²	136	84.1 Å²	84.1	73%	0.727	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-82	-16.2	177.2	-61.1	-6.2	0	0	0	112	P392 I393	P392-N395 HydrophobicContact CB-CB 4.37Å; P392-N395 WeakPolarHBondContact O-CB 3.49Å; P392-N395 PolarHBondContact O-N 3.05Å; I393-N395 PolarHBondContact O-N 2.93Å
396	H	93	Very high	87.4	Confident	128 Å²	128	80.3 Å²	80.3	59%	0.593	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-95.6	0.6	-179.4	-58.4	165.4	0	0	0	113	I393 M394 R398	I393-H396 PolarHBondContact O-N 3.14Å; I393-H396 VanDerWaalsContact O-N 3.07Å; M394-H396 VanDerWaalsContact C-N 3.33Å; H396-R398 PolarHBondContact O-N 3.43Å
397	L	89.2	Confident	85.8	Confident	43 Å²	43	82.2 Å²	82.2	23%	0.225	40%	0.402	C	S	.	.			trans	-62.9	130.9	176.6	-63.8	177.2	0	0	0	110.3	I393 M394 Q399 Y402	I393-L397 PolarHBondContact O-N 3.18Å; M394-L397 HydrophobicContact CE-CD1 3.71Å; M394-L397 HydrophobicContact SD-CD1 4.15Å; L397-Q399 HydrophobicContact CB-CG 4.27Å; L397-Q399 PolarHBondContact O-N 3Å; L397-Y402 HydrophobicContact CB-CE2 4.41Å; L397-Y402 HydrophobicContact CD2-CE2 4.19Å
398	R	90.3	Very high	83.8	Confident	125 Å²	125	82.7 Å²	82.7	47%	0.472	41%	0.406	S	S	.	.			trans	-79.6	70.5	175.5	-68.3	-66	-58.3	-81.5	0.2	110.3	H396 D400 L401 Y402	H396-R398 PolarHBondContact O-N 3.43Å; R398-D400 VanDerWaalsContact CA-OD1 3.27Å; R398-D400 WeakPolarHBondContact CA-OD1 3.44Å; R398-D400 WeakPolarHBondContact CB-OD1 3.19Å; R398-D400 IonicContact CZ-OD1 2.86Å; R398-D400 IonicContact CZ-OD2 3.37Å; R398-D400 IonicContact NE-OD1 2.78Å; R398-D400 PolarHBondContact NE-OD1 3.01Å; R398-D400 IonicContact NE-OD2 3.82Å; R398-D400 PolarHBondContact NE-OD2 2.83Å; R398-D400 IonicContact NH2-OD1 3.24Å; R398-D400 IonicContact NH2-OD2 2.68Å; R398-D400 PolarHBondContact NH2-OD2 3.07Å; R398-D400 PolarHBondContact O-N 3.4Å; R398-D400 VanDerWaalsContact O-N 3.17Å; R398-L401 HydrophobicContact CB-CB 4.14Å; R398-L401 HydrophobicContact CB-CD1 4.1Å; R398-L401 HydrophobicContact CB-CG 4.15Å; R398-L401 HydrophobicContact CG-CD1 4.42Å; R398-L401 PolarHBondContact O-N 3.45Å; R398-Y402 HydrophobicContact CB-CD1 4.34Å; R398-Y402 HydrophobicContact CB-CE1 3.74Å; R398-Y402 PolarHBondContact N-OH 2.87Å; R398-Y402 PolarHBondContact O-N 3.47Å
399	Q	79.7	Confident	81.7	Confident	108 Å²	108	83.7 Å²	83.7	51%	0.505	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.6	-179.5	-64.7	-172.8	3.6	0	0	113.1	L397 L401 Y402	L397-Q399 HydrophobicContact CB-CG 4.27Å; L397-Q399 PolarHBondContact O-N 3Å; Q399-L401 VanDerWaalsContact C-N 3.3Å; Q399-Y402 WeakPolarHBondContact CA-O 3.1Å
400	D	80	Confident	79.5	Confident	110 Å²	110	80.5 Å²	80.5	59%	0.588	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.2	170.2	62.9	-57.7	0	0	0	113.5	R398	R398-D400 VanDerWaalsContact CA-OD1 3.27Å; R398-D400 WeakPolarHBondContact CA-OD1 3.44Å; R398-D400 WeakPolarHBondContact CB-OD1 3.19Å; R398-D400 IonicContact CZ-OD1 2.86Å; R398-D400 IonicContact CZ-OD2 3.37Å; R398-D400 IonicContact NE-OD1 2.78Å; R398-D400 PolarHBondContact NE-OD1 3.01Å; R398-D400 IonicContact NE-OD2 3.82Å; R398-D400 PolarHBondContact NE-OD2 2.83Å; R398-D400 IonicContact NH2-OD1 3.24Å; R398-D400 IonicContact NH2-OD2 2.68Å; R398-D400 PolarHBondContact NH2-OD2 3.07Å; R398-D400 PolarHBondContact O-N 3.4Å; R398-D400 VanDerWaalsContact O-N 3.17Å
401	L	85.2	Confident	77.3	Confident	118 Å²	118	73.2 Å²	73.2	62%	0.618	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-35	179.6	-60.4	-176.7	0	0	0	112.9	R398 Q399	R398-L401 HydrophobicContact CB-CB 4.14Å; R398-L401 HydrophobicContact CB-CD1 4.1Å; R398-L401 HydrophobicContact CB-CG 4.15Å; R398-L401 HydrophobicContact CG-CD1 4.42Å; R398-L401 PolarHBondContact O-N 3.45Å; Q399-L401 VanDerWaalsContact C-N 3.3Å
402	Y	83.3	Confident	74.6	Confident	104 Å²	104	72.1 Å²	72.1	41%	0.408	38%	0.38	S	S	.	.			trans	-147.4	137.4	-179.4	59.3	-99.3	0	0	0	111.8	L397 R398 Q399	L397-Y402 HydrophobicContact CB-CE2 4.41Å; L397-Y402 HydrophobicContact CD2-CE2 4.19Å; R398-Y402 HydrophobicContact CB-CD1 4.34Å; R398-Y402 HydrophobicContact CB-CE1 3.74Å; R398-Y402 PolarHBondContact N-OH 2.87Å; R398-Y402 PolarHBondContact O-N 3.47Å; Q399-Y402 WeakPolarHBondContact CA-O 3.1Å
403	C	74	Confident	72	Confident	56 Å²	56	78.5 Å²	78.5	38%	0.378	40%	0.404	S	S	.	.			trans	-128.9	150.9	169.6	68.8	0	0	0	0	109.9	A488	C403-A488 HydrophobicContact CB-CB 4.09Å
404	T	75.2	Confident	69.3	Low	24 Å²	24	78.1 Å²	78.1	15%	0.147	40%	0.402	C	S	.	.			trans	-102.5	88.9	169	-60.1	0	0	0	0	106.4	E292 R295 I296	E292-T404 HydrophobicContact CB-CG2 4.32Å; R295-T404 WeakPolarHBondContact CD-OG1 3.31Å; R295-T404 VanDerWaalsContact CZ-OG1 3.22Å; R295-T404 PolarHBondContact NE-OG1 2.84Å; R295-T404 PolarHBondContact NH1-OG1 3.16Å; I296-T404 HydrophobicContact CD1-CG2 4.16Å; I296-T404 HydrophobicContact CG1-CG2 3.95Å
405	A	66.5	Low	66.8	Low	39 Å²	39	81.8 Å²	81.8	32%	0.322	43%	0.431	S	S	.	.			trans	-73.5	135.2	175.4	0	0	0	0	0	109.5	A492 M496	A405-A492 HydrophobicContact CB-CB 3.67Å; A405-M496 HydrophobicContact CB-CE 4.4Å
406	T	68.9	Low	64.2	Low	13 Å²	13	78.3 Å²	78.3	8%	0.08	42%	0.417	C	S	.	.			trans	-97	134.9	168.5	56	0	0	0	0	109.6	I296 C408	I296-T406 HydrophobicContact CB-CG2 4.19Å; I296-T406 HydrophobicContact CD1-CG2 3.45Å; I296-T406 VanDerWaalsContact CD1-CG2 3.45Å; I296-T406 HydrophobicContact CG1-CG2 3.44Å; I296-T406 VanDerWaalsContact CG1-CG2 3.44Å; I296-T406 HydrophobicContact CG2-CG2 3.66Å; T406-C408 VanDerWaalsContact C-N 3.3Å; T406-C408 PolarHBondContact O-N 3.34Å
407	V	63.9	Low	61.6	Low	97 Å²	97	73 Å²	73	59%	0.588	40%	0.395	S	S	*	.			trans	-70.4	95.7	165.2	-175.1	0	0	0	0	106.2	E409 M496	V407-E409 PolarHBondContact O-N 2.6Å; V407-M496 HydrophobicContact CB-SD 4.48Å; V407-M496 HydrophobicContact CG2-CE 4.44Å; V407-M496 HydrophobicContact CG2-SD 3.7Å
408	C	54.6	Low	59.1	Low	17 Å²	17	74.5 Å²	74.5	12%	0.115	40%	0.402	C	S	.	.			trans	-75.5	126.5	-172.2	-167.6	0	0	0	0	110.2	T406 T455 R456	T406-C408 VanDerWaalsContact C-N 3.3Å; T406-C408 PolarHBondContact O-N 3.34Å; C408-T455 HydrophobicContact CB-CG2 4.25Å; C408-T455 WeakPolarHBondContact O-CG2 3.36Å; C408-R456 PolarHBondContact SG-N 3.45Å
409	E	54.6	Low	56.5	Low	53 Å²	53	77.7 Å²	77.7	25%	0.248	41%	0.414	C	S	.	.			trans	-73.3	156.9	-173	-62.7	122.4	-152.6	0	0	113.2	Y268 I269 V407 L411	Y268-E409 WeakPolarHBondContact CA-OE1 3.45Å; Y268-E409 WeakPolarHBondContact CB-OE1 3.28Å; Y268-E409 WeakPolarHBondContact CB-OE2 3.4Å; I269-E409 PolarHBondContact N-OE1 3.34Å; V407-E409 PolarHBondContact O-N 2.6Å; E409-L411 PolarHBondContact O-N 3.46Å
410	R	50.1	Low	54.5	Low	116 Å²	116	74.9 Å²	74.9	44%	0.438	40%	0.399	S	S	.	.			trans	-55.9	107	174.1	-167.2	-174.1	-93.6	-166.8	-5.4	109.4	G412 K413 Y453	R410-G412 PolarHBondContact O-N 3.25Å; R410-K413 PolarHBondContact O-N 2.85Å; R410-Y453 HydrophobicContact CB-CE2 4.2Å; R410-Y453 HydrophobicContact CG-CD2 4.34Å; R410-Y453 HydrophobicContact CG-CE2 4.14Å
411	L	50.6	Low	52.4	Low	53 Å²	53	70.5 Å²	70.5	28%	0.277	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-9.5	177.2	-79.5	163	0	0	0	114.6	E409 I418 A421 L454	E409-L411 PolarHBondContact O-N 3.46Å; L411-I418 WeakPolarHBondContact O-CG1 3.3Å; L411-A421 HydrophobicContact CD2-CB 3.87Å; L411-L454 HydrophobicContact CB-CD2 4.44Å; L411-L454 HydrophobicContact CD1-CB 4.44Å; L411-L454 HydrophobicContact CD1-CD2 3.56Å; L411-L454 HydrophobicContact CD1-CG 3.72Å
412	G	38.7	Very low	50.1	Low	61 Å²	61	70.1 Å²	70.1	63%	0.629	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-4	-177.1	0	0	0	0	0	117.6	R410	R410-G412 PolarHBondContact O-N 3.25Å
413	K	39.7	Very low	47.9	Very low	173 Å²	173	70.9 Å²	70.9	75%	0.752	38%	0.382	S	S	*	.	S	Bend	trans	-100.9	-8.1	179.9	-90.2	-165.9	174.6	-170.2	0	115.4	R410	R410-K413 PolarHBondContact O-N 2.85Å
414	L	38	Very low	46.2	Very low	34 Å²	34	72.3 Å²	72.3	18%	0.178	38%	0.383	C	S	.	.			trans	-125.8	107.4	-174.4	-85.6	136.2	0	0	0	111	Y268 S416 C417 I418	Y268-L414 HydrophobicContact CD1-CD1 4.04Å; Y268-L414 HydrophobicContact CD2-CD1 4.04Å; Y268-L414 HydrophobicContact CE1-CD1 3.86Å; Y268-L414 HydrophobicContact CE1-CD2 3.87Å; Y268-L414 HydrophobicContact CE1-CG 4.47Å; Y268-L414 HydrophobicContact CE2-CD1 3.84Å; Y268-L414 HydrophobicContact CE2-CD2 3.88Å; Y268-L414 HydrophobicContact CG-CD1 4.16Å; Y268-L414 WeakPolarHBondContact OH-CD2 3.43Å; L414-S416 PolarHBondContact O-N 2.76Å; L414-C417 HydrophobicContact CB-CB 3.73Å; L414-C417 VanDerWaalsContact CB-SG 3.52Å; L414-C417 PolarHBondContact O-N 3.45Å; L414-C417 VanDerWaalsContact O-N 3.1Å; L414-I418 WeakPolarHBondContact O-CG1 3.14Å; L414-I418 PolarHBondContact O-N 3.18Å; L414-I418 VanDerWaalsContact O-N 3.14Å
415	S	36.2	Very low	44.7	Very low	109 Å²	109	74.1 Å²	74.1	76%	0.762	39%	0.389	S	S	*	.	H	α-helix	trans	-57	-31	174.3	52.1	0	0	0	0	112.6
416	S	36.3	Very low	43.4	Very low	63 Å²	63	75 Å²	75	44%	0.441	39%	0.386	S	S	.	.	H	α-helix	trans	-69.9	-41	174	52.5	0	0	0	0	112.6	L414 I418 R419 W420	L414-S416 PolarHBondContact O-N 2.76Å; S416-I418 VanDerWaalsContact C-N 3.35Å; S416-I418 PolarHBondContact O-N 2.95Å; S416-R419 PolarHBondContact O-N 3.25Å; S416-W420 PolarHBondContact O-N 3.23Å
417	C	38.7	Very low	41.8	Very low	18 Å²	18	79 Å²	79	12%	0.122	41%	0.414	C	S	.	.	H	α-helix	trans	-67.3	-33.4	176.9	-65	0	0	0	0	112.4	L414 R419 W420 A421	L414-C417 HydrophobicContact CB-CB 3.73Å; L414-C417 VanDerWaalsContact CB-SG 3.52Å; L414-C417 PolarHBondContact O-N 3.45Å; L414-C417 VanDerWaalsContact O-N 3.1Å; C417-R419 VanDerWaalsContact C-N 3.31Å; C417-R419 PolarHBondContact O-N 3.11Å; C417-W420 PolarHBondContact O-N 3.48Å; C417-A421 WeakPolarHBondContact O-CB 3.43Å; C417-A421 PolarHBondContact O-N 2.97Å
418	I	36.4	Very low	40.7	Very low	74 Å²	74	83.8 Å²	83.8	38%	0.379	42%	0.422	S	S	.	.	H	α-helix	trans	-62.7	-38.4	178.5	-66.9	169	0	0	0	111.3	L411 L414 S416 K422	L411-I418 WeakPolarHBondContact O-CG1 3.3Å; L414-I418 WeakPolarHBondContact O-CG1 3.14Å; L414-I418 PolarHBondContact O-N 3.18Å; L414-I418 VanDerWaalsContact O-N 3.14Å; S416-I418 VanDerWaalsContact C-N 3.35Å; S416-I418 PolarHBondContact O-N 2.95Å; I418-K422 HydrophobicContact CG2-CD 4.17Å; I418-K422 WeakPolarHBondContact O-CB 3.5Å; I418-K422 WeakPolarHBondContact O-CG 3.3Å; I418-K422 PolarHBondContact O-N 3Å
419	R	35.7	Very low	40	Very low	192 Å²	192	87.1 Å²	87.1	73%	0.725	44%	0.435	S	S	*	.	H	α-helix	trans	-72.6	-40	-179.4	-158.5	176.1	-170.9	178.6	1.8	111.6	S416 C417 L423	S416-R419 PolarHBondContact O-N 3.25Å; C417-R419 VanDerWaalsContact C-N 3.31Å; C417-R419 PolarHBondContact O-N 3.11Å; R419-L423 HydrophobicContact CG-CD1 4.08Å; R419-L423 WeakPolarHBondContact O-CB 3.48Å; R419-L423 WeakPolarHBondContact O-CD1 3.45Å; R419-L423 VanDerWaalsContact O-CG 3.29Å; R419-L423 WeakPolarHBondContact O-CG 3.37Å; R419-L423 PolarHBondContact O-N 3.4Å
420	W	38	Very low	39.6	Very low	48 Å²	48	86.8 Å²	86.8	18%	0.182	44%	0.436	C	S	.	.	H	α-helix	trans	-71.5	-44	177.1	-171.1	93.2	0	0	0	112.4	P271 P272 S416 C417 K422 L423 H424 F425	P271-W420 HydrophobicContact CB-CD2 3.82Å; P271-W420 HydrophobicContact CB-CE3 3.73Å; P271-W420 HydrophobicContact CB-CH2 3.07Å; P271-W420 HydrophobicContact CB-CZ2 3.3Å; P271-W420 HydrophobicContact CB-CZ3 3.31Å; P271-W420 HydrophobicContact CG-CD2 3.44Å; P271-W420 VanDerWaalsContact CG-CD2 3.44Å; P271-W420 HydrophobicContact CG-CE3 3.4Å; P271-W420 HydrophobicContact CG-CG 4Å; P271-W420 HydrophobicContact CG-CH2 3.8Å; P271-W420 HydrophobicContact CG-CZ2 3.96Å; P271-W420 HydrophobicContact CG-CZ3 3.52Å; P272-W420 PolarHBondContact O-NE1 2.89Å; S416-W420 PolarHBondContact O-N 3.23Å; C417-W420 PolarHBondContact O-N 3.48Å; W420-K422 VanDerWaalsContact C-N 3.31Å; W420-K422 PolarHBondContact O-N 3.43Å; W420-L423 PolarHBondContact O-N 3.48Å; W420-L423 VanDerWaalsContact O-N 3.13Å; W420-H424 AromaticContact CD1-CD2 3.57Å; W420-H424 AromaticContact CE2-CD2 4Å; W420-H424 AromaticContact NE1-CD2 3.54Å; W420-H424 PolarHBondContact O-N 2.84Å; W420-F425 HydrophobicContact CD2-CD2 4.42Å; W420-F425 HydrophobicContact CD2-CE2 4.03Å; W420-F425 AromaticContact CE3-CD2 3.65Å; W420-F425 HydrophobicContact CE3-CD2 3.65Å; W420-F425 AromaticContact CE3-CE2 3.39Å; W420-F425 HydrophobicContact CE3-CE2 3.39Å; W420-F425 HydrophobicContact CE3-CZ 4.28Å; W420-F425 AromaticContact CH2-CD2 3.98Å; W420-F425 HydrophobicContact CH2-CD2 3.98Å; W420-F425 HydrophobicContact CH2-CE1 4.33Å; W420-F425 AromaticContact CH2-CE2 2.89Å; W420-F425 HydrophobicContact CH2-CE2 2.89Å; W420-F425 AromaticContact CH2-CZ 3.1Å; W420-F425 HydrophobicContact CH2-CZ 3.1Å; W420-F425 AromaticContact CZ2-CE2 3.51Å; W420-F425 HydrophobicContact CZ2-CE2 3.51Å; W420-F425 AromaticContact CZ2-CZ 3.97Å; W420-F425 HydrophobicContact CZ2-CZ 3.97Å; W420-F425 AromaticContact CZ3-CD2 3.45Å; W420-F425 HydrophobicContact CZ3-CD2 3.45Å; W420-F425 VanDerWaalsContact CZ3-CD2 3.45Å; W420-F425 HydrophobicContact CZ3-CE1 4.3Å; W420-F425 AromaticContact CZ3-CE2 2.82Å; W420-F425 HydrophobicContact CZ3-CE2 2.82Å; W420-F425 HydrophobicContact CZ3-CG 4.47Å; W420-F425 AromaticContact CZ3-CZ 3.3Å; W420-F425 HydrophobicContact CZ3-CZ 3.3Å
421	A	34.9	Very low	39.2	Very low	18 Å²	18	83.1 Å²	83.1	15%	0.149	43%	0.425	C	S	.	.	H	α-helix	trans	-59.1	-41.5	172.5	0	0	0	0	0	111.5	L411 C417 L423 F425 E426	L411-A421 HydrophobicContact CD2-CB 3.87Å; C417-A421 WeakPolarHBondContact O-CB 3.43Å; C417-A421 PolarHBondContact O-N 2.97Å; A421-L423 PolarHBondContact O-N 2.93Å; A421-F425 WeakPolarHBondContact O-CA 3.47Å; A421-F425 WeakPolarHBondContact O-CB 3.42Å; A421-F425 PolarHBondContact O-N 2.86Å; A421-E426 PolarHBondContact O-N 2.72Å
422	K	37.3	Very low	38.8	Very low	111 Å²	111	86.9 Å²	86.9	48%	0.483	45%	0.453	S	S	.	.	H	α-helix	trans	-62	-36.9	173.1	-92.6	176.7	171.4	-177.9	0	114.2	I418 W420 E426	I418-K422 HydrophobicContact CG2-CD 4.17Å; I418-K422 WeakPolarHBondContact O-CB 3.5Å; I418-K422 WeakPolarHBondContact O-CG 3.3Å; I418-K422 PolarHBondContact O-N 3Å; W420-K422 VanDerWaalsContact C-N 3.31Å; W420-K422 PolarHBondContact O-N 3.43Å; K422-E426 WeakPolarHBondContact CG-OE1 3.35Å
423	L	37.6	Very low	39	Very low	120 Å²	120	94 Å²	94	63%	0.628	46%	0.461	S	S	*	.	H	α-helix	trans	-87.6	-27	-174	-76.8	165	0	0	0	113.4	R419 W420 A421	R419-L423 HydrophobicContact CG-CD1 4.08Å; R419-L423 WeakPolarHBondContact O-CB 3.48Å; R419-L423 WeakPolarHBondContact O-CD1 3.45Å; R419-L423 VanDerWaalsContact O-CG 3.29Å; R419-L423 WeakPolarHBondContact O-CG 3.37Å; R419-L423 PolarHBondContact O-N 3.4Å; W420-L423 PolarHBondContact O-N 3.48Å; W420-L423 VanDerWaalsContact O-N 3.13Å; A421-L423 PolarHBondContact O-N 2.93Å
424	H	39	Very low	39.4	Very low	85 Å²	85	87.3 Å²	87.3	39%	0.394	43%	0.433	S	S	.	.	H	α-helix	trans	-124.7	-13.9	-170	-64.8	-62.1	0	0	0	115.3	W420	W420-H424 AromaticContact CD1-CD2 3.57Å; W420-H424 AromaticContact CE2-CD2 4Å; W420-H424 AromaticContact NE1-CD2 3.54Å; W420-H424 PolarHBondContact O-N 2.84Å
425	F	42.9	Very low	39.9	Very low	63 Å²	63	88.2 Å²	88.2	28%	0.276	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-32	-172.9	-71.4	-93.7	0	0	0	113.8	W420 A421 S427 R428 R456	W420-F425 HydrophobicContact CD2-CD2 4.42Å; W420-F425 HydrophobicContact CD2-CE2 4.03Å; W420-F425 AromaticContact CE3-CD2 3.65Å; W420-F425 HydrophobicContact CE3-CD2 3.65Å; W420-F425 AromaticContact CE3-CE2 3.39Å; W420-F425 HydrophobicContact CE3-CE2 3.39Å; W420-F425 HydrophobicContact CE3-CZ 4.28Å; W420-F425 AromaticContact CH2-CD2 3.98Å; W420-F425 HydrophobicContact CH2-CD2 3.98Å; W420-F425 HydrophobicContact CH2-CE1 4.33Å; W420-F425 AromaticContact CH2-CE2 2.89Å; W420-F425 HydrophobicContact CH2-CE2 2.89Å; W420-F425 AromaticContact CH2-CZ 3.1Å; W420-F425 HydrophobicContact CH2-CZ 3.1Å; W420-F425 AromaticContact CZ2-CE2 3.51Å; W420-F425 HydrophobicContact CZ2-CE2 3.51Å; W420-F425 AromaticContact CZ2-CZ 3.97Å; W420-F425 HydrophobicContact CZ2-CZ 3.97Å; W420-F425 AromaticContact CZ3-CD2 3.45Å; W420-F425 HydrophobicContact CZ3-CD2 3.45Å; W420-F425 VanDerWaalsContact CZ3-CD2 3.45Å; W420-F425 HydrophobicContact CZ3-CE1 4.3Å; W420-F425 AromaticContact CZ3-CE2 2.82Å; W420-F425 HydrophobicContact CZ3-CE2 2.82Å; W420-F425 HydrophobicContact CZ3-CG 4.47Å; W420-F425 AromaticContact CZ3-CZ 3.3Å; W420-F425 HydrophobicContact CZ3-CZ 3.3Å; A421-F425 WeakPolarHBondContact O-CA 3.47Å; A421-F425 WeakPolarHBondContact O-CB 3.42Å; A421-F425 PolarHBondContact O-N 2.86Å; F425-S427 PolarHBondContact O-N 2.85Å; F425-R428 PolarHBondContact O-N 3.23Å; F425-R456 HydrophobicContact CD1-CG 4.24Å; F425-R456 HydrophobicContact CE1-CG 4.33Å
426	E	38.4	Very low	41.1	Very low	57 Å²	57	90.3 Å²	90.3	27%	0.266	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.8	-179	-76.9	-175.9	177.7	0	0	113.4	A421 K422 V430 K436	A421-E426 PolarHBondContact O-N 2.72Å; K422-E426 WeakPolarHBondContact CG-OE1 3.35Å; E426-V430 HydrophobicContact CB-CG2 4.44Å; E426-V430 WeakPolarHBondContact O-CB 3.46Å; E426-V430 WeakPolarHBondContact O-CG2 3.35Å; E426-K436 WeakPolarHBondContact OE2-CE 3.46Å; E426-K436 IonicContact OE2-NZ 3.62Å
427	S	37.1	Very low	42.8	Very low	96 Å²	96	93.7 Å²	93.7	67%	0.671	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-10.5	-175.4	82	0	0	0	0	116.2	F425	F425-S427 PolarHBondContact O-N 2.85Å
428	R	39.9	Very low	44.8	Very low	199 Å²	199	94.5 Å²	94.5	75%	0.751	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-19.7	-174.4	-74.5	-170	-175.7	-171.8	1.5	115.2	F425	F425-R428 PolarHBondContact O-N 3.23Å
429	F	40.8	Very low	47.2	Very low	87 Å²	87	93.1 Å²	93.1	38%	0.382	45%	0.45	S	S	.	.	S	Bend	trans	-131.2	-6.7	-178.2	-61.1	-76.2	0	0	0	114.2
430	V	44.2	Very low	49.8	Very low	45 Å²	45	85.4 Å²	85.4	27%	0.273	43%	0.428	S	S	.	.	S	Bend	trans	-85.5	122.4	169.8	-172.4	0	0	0	0	107	E426 P432 L434	E426-V430 HydrophobicContact CB-CG2 4.44Å; E426-V430 WeakPolarHBondContact O-CB 3.46Å; E426-V430 WeakPolarHBondContact O-CG2 3.35Å; V430-P432 VanDerWaalsContact O-CD 3.32Å; V430-P432 WeakPolarHBondContact O-CD 3.42Å; V430-P432 VanDerWaalsContact O-N 3.08Å; V430-L434 HydrophobicContact CG1-CB 4.44Å
431	D	43.3	Very low	52.5	Low	40 Å²	40	83.4 Å²	83.4	21%	0.214	42%	0.42	C	S	.	.			trans	-51.7	119	169	-177.1	-22.9	0	0	0	107.7	R433 L434	D431-R433 PolarHBondContact O-N 3.24Å; D431-R433 WeakPolarHBondContact OD1-CB 3.26Å; D431-R433 VanDerWaalsContact OD1-CG 3.29Å; D431-R433 WeakPolarHBondContact OD1-CG 3.21Å; D431-R433 IonicContact OD1-CZ 2.64Å; D431-R433 PolarHBondContact OD1-N 2.92Å; D431-R433 IonicContact OD1-NE 2.76Å; D431-R433 PolarHBondContact OD1-NE 2.64Å; D431-R433 IonicContact OD1-NH2 3.99Å; D431-R433 IonicContact OD2-CZ 2.81Å; D431-R433 VanDerWaalsContact OD2-CZ 3.24Å; D431-R433 IonicContact OD2-NE 3.83Å; D431-R433 PolarHBondContact OD2-NE 2.76Å; D431-R433 IonicContact OD2-NH2 2.62Å; D431-R433 PolarHBondContact OD2-NH2 2.93Å; D431-L434 HydrophobicContact CB-CB 4.5Å; D431-L434 HydrophobicContact CB-CD1 3.9Å; D431-L434 HydrophobicContact CB-CG 4.02Å; D431-L434 WeakPolarHBondContact O-CB 3.33Å; D431-L434 PolarHBondContact O-N 3.38Å
432	P	41.5	Very low	55.2	Low	131 Å²	131	83.7 Å²	83.7	85%	0.851	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-11.6	-177.4	20.1	-29.4	0	0	0	113.2	V430	V430-P432 VanDerWaalsContact O-CD 3.32Å; V430-P432 WeakPolarHBondContact O-CD 3.42Å; V430-P432 VanDerWaalsContact O-N 3.08Å
433	R	44.1	Very low	57.7	Low	212 Å²	212	84.7 Å²	84.7	80%	0.8	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.4	171.7	-58.7	173.6	-70.2	-175.2	1.8	113.6	D431	D431-R433 PolarHBondContact O-N 3.24Å; D431-R433 WeakPolarHBondContact OD1-CB 3.26Å; D431-R433 VanDerWaalsContact OD1-CG 3.29Å; D431-R433 WeakPolarHBondContact OD1-CG 3.21Å; D431-R433 IonicContact OD1-CZ 2.64Å; D431-R433 PolarHBondContact OD1-N 2.92Å; D431-R433 IonicContact OD1-NE 2.76Å; D431-R433 PolarHBondContact OD1-NE 2.64Å; D431-R433 IonicContact OD1-NH2 3.99Å; D431-R433 IonicContact OD2-CZ 2.81Å; D431-R433 VanDerWaalsContact OD2-CZ 3.24Å; D431-R433 IonicContact OD2-NE 3.83Å; D431-R433 PolarHBondContact OD2-NE 2.76Å; D431-R433 IonicContact OD2-NH2 2.62Å; D431-R433 PolarHBondContact OD2-NH2 2.93Å
434	L	48	Very low	60.3	Low	32 Å²	32	83.6 Å²	83.6	17%	0.168	42%	0.419	C	S	.	.	S	Bend	trans	-94.2	132.1	-179.9	-67.1	175.2	0	0	0	110.7	V430 D431 A440 V445	V430-L434 HydrophobicContact CG1-CB 4.44Å; D431-L434 HydrophobicContact CB-CB 4.5Å; D431-L434 HydrophobicContact CB-CD1 3.9Å; D431-L434 HydrophobicContact CB-CG 4.02Å; D431-L434 WeakPolarHBondContact O-CB 3.33Å; D431-L434 PolarHBondContact O-N 3.38Å; L434-A440 HydrophobicContact CD1-CB 3.68Å; L434-V445 HydrophobicContact CD2-CB 4.31Å; L434-V445 HydrophobicContact CD2-CG1 3.67Å; L434-V445 HydrophobicContact CD2-CG2 3.67Å
435	G	48.7	Very low	62.8	Low	52 Å²	52	83.3 Å²	83.3	54%	0.536	42%	0.423	S	S	.	.			trans	-61.8	159.2	169.8	0	0	0	0	0	111.3	E437 S438	G435-E437 PolarHBondContact O-N 3.01Å; G435-S438 PolarHBondContact O-N 3.39Å
436	K	60	Low	65.2	Low	154 Å²	154	81.3 Å²	81.3	67%	0.67	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	1.3	-177.2	-73.5	-172.5	171.7	-171.1	0	116.5	E426	E426-K436 WeakPolarHBondContact OE2-CE 3.46Å; E426-K436 IonicContact OE2-NZ 3.62Å
437	E	72.4	Confident	67.7	Low	134 Å²	134	81.6 Å²	81.6	63%	0.626	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	24.9	-175.4	-55.7	-158	147.4	0	0	112.9	G435 K448	G435-E437 PolarHBondContact O-N 3.01Å; E437-K448 HydrophobicContact CB-CB 4.26Å; E437-K448 VanDerWaalsContact O-CB 3.28Å; E437-K448 WeakPolarHBondContact O-CB 3.33Å; E437-K448 PolarHBondContact O-N 2.92Å
438	S	81.5	Confident	70.1	Confident	34 Å²	34	81.9 Å²	81.9	24%	0.238	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.4	-178.8	-66.5	0	0	0	0	112.6	G435 V445 I446	G435-S438 PolarHBondContact O-N 3.39Å; S438-V445 VanDerWaalsContact CB-CG1 3.5Å; S438-I446 WeakPolarHBondContact CA-O 3.19Å
439	Y	86.6	Confident	72.5	Confident	45 Å²	45	78 Å²	78	18%	0.176	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.3	-179.2	-60.2	-94.1	0	0	0	110.3	I446 K448 V451 L454 Y459	Y439-I446 PolarHBondContact N-O 2.93Å; Y439-I446 PolarHBondContact O-N 3.3Å; Y439-K448 HydrophobicContact CE2-CB 4.17Å; Y439-K448 HydrophobicContact CE2-CG 4.26Å; Y439-V451 HydrophobicContact CD2-CB 4.37Å; Y439-V451 HydrophobicContact CD2-CG2 3.5Å; Y439-V451 VanDerWaalsContact CD2-CG2 3.5Å; Y439-V451 HydrophobicContact CE2-CB 4.19Å; Y439-V451 HydrophobicContact CE2-CG1 4.39Å; Y439-V451 HydrophobicContact CE2-CG2 3.81Å; Y439-V451 HydrophobicContact CG-CG2 4.21Å; Y439-L454 HydrophobicContact CD1-CD1 4.47Å; Y439-L454 HydrophobicContact CE1-CD1 3.79Å; Y439-L454 HydrophobicContact CE1-CD2 4.12Å; Y439-L454 WeakPolarHBondContact OH-CD2 3.45Å; Y439-Y459 HydrophobicContact CG-CD2 4.5Å
440	A	89.7	Confident	75	Confident	30 Å²	30	75.6 Å²	75.6	25%	0.248	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.7	178.8	0	0	0	0	0	110.8	L434 Y459	L434-A440 HydrophobicContact CD1-CB 3.68Å; A440-Y459 PolarHBondContact O-OH 3.44Å
441	F	94	Very high	77.3	Confident	7 Å²	7	74.5 Å²	74.5	3%	0.031	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	82	169.6	-176.1	-128	0	0	0	109	E443 K444 I446 Y459 F461 L473 A475 V528 H530 H532	F441-E443 PolarHBondContact O-N 3.38Å; F441-K444 HydrophobicContact CB-CB 4.49Å; F441-K444 HydrophobicContact CD1-CD 4.4Å; F441-K444 PolarHBondContact N-O 3.07Å; F441-K444 WeakPolarHBondContact O-CB 3.26Å; F441-K444 PolarHBondContact O-N 2.77Å; F441-I446 HydrophobicContact CB-CD1 4Å; F441-I446 HydrophobicContact CB-CG1 3.64Å; F441-I446 HydrophobicContact CD1-CD1 4.3Å; F441-I446 HydrophobicContact CG-CG1 4.47Å; F441-Y459 WeakPolarHBondContact CB-OH 3.22Å; F441-Y459 WeakPolarHBondContact CD2-OH 3.46Å; F441-F461 HydrophobicContact CD1-CE2 4.24Å; F441-F461 AromaticContact CD1-CZ 3.92Å; F441-F461 HydrophobicContact CD1-CZ 3.92Å; F441-F461 HydrophobicContact CD2-CE1 4.43Å; F441-F461 AromaticContact CD2-CZ 3.93Å; F441-F461 HydrophobicContact CD2-CZ 3.93Å; F441-F461 HydrophobicContact CE1-CE2 4.36Å; F441-F461 AromaticContact CE1-CZ 3.98Å; F441-F461 HydrophobicContact CE1-CZ 3.98Å; F441-F461 HydrophobicContact CE2-CZ 4.05Å; F441-F461 AromaticContact CG-CZ 3.89Å; F441-F461 HydrophobicContact CG-CZ 3.89Å; F441-F461 HydrophobicContact CZ-CZ 4.07Å; F441-L473 HydrophobicContact CE1-CD1 4.44Å; F441-L473 HydrophobicContact CZ-CD1 4.49Å; F441-A475 HydrophobicContact CD2-CB 4.38Å; F441-A475 HydrophobicContact CE2-CB 4.29Å; F441-V528 HydrophobicContact CD1-CG1 3.98Å; F441-V528 HydrophobicContact CD2-CG1 4.46Å; F441-V528 HydrophobicContact CE1-CB 3.91Å; F441-V528 HydrophobicContact CE1-CG1 3.69Å; F441-V528 HydrophobicContact CE1-CG2 3.79Å; F441-V528 HydrophobicContact CE2-CG1 4.16Å; F441-V528 HydrophobicContact CG-CG1 4.36Å; F441-V528 HydrophobicContact CZ-CB 3.9Å; F441-V528 HydrophobicContact CZ-CG1 3.77Å; F441-V528 HydrophobicContact CZ-CG2 4.23Å; F441-H530 HydrophobicContact CD2-CB 3.97Å; F441-H530 AromaticContact CD2-CG 3.88Å; F441-H530 AromaticContact CD2-ND1 3.49Å; F441-H530 WeakPolarHBondContact CD2-ND1 3.27Å; F441-H530 HydrophobicContact CE2-CB 3.89Å; F441-H532 HydrophobicContact CE2-CB 3.84Å; F441-H532 AromaticContact CE2-CG 3.91Å; F441-H532 AromaticContact CE2-ND1 3.75Å; F441-H532 HydrophobicContact CZ-CB 3.93Å; F441-H532 AromaticContact CZ-CE1 3.92Å; F441-H532 AromaticContact CZ-CG 3.59Å; F441-H532 AromaticContact CZ-ND1 3.46Å; F441-H532 WeakPolarHBondContact CZ-ND1 3.19Å
442	A	92.1	Very high	79.5	Confident	24 Å²	24	76.9 Å²	76.9	20%	0.198	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-126.4	-162.5	0	0	0	0	0	111.1	K444 V528 H530	A442-K444 PolarHBondContact O-N 3.49Å; A442-V528 HydrophobicContact CB-CG1 3.58Å; A442-H530 HydrophobicContact CB-CB 4.01Å; A442-H530 PolarHBondContact N-ND1 3.11Å
443	E	90.6	Very high	81.7	Confident	132 Å²	132	71.2 Å²	71.2	62%	0.617	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-9.6	175	70	-71.4	161.6	0	0	114.1	F441	F441-E443 PolarHBondContact O-N 3.38Å
444	K	91.8	Very high	83.7	Confident	96 Å²	96	62.6 Å²	62.6	42%	0.417	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	152.3	-177.2	-56.2	176.1	-176.8	173.6	0	110.9	F441 A442 V528	F441-K444 HydrophobicContact CB-CB 4.49Å; F441-K444 HydrophobicContact CD1-CD 4.4Å; F441-K444 PolarHBondContact N-O 3.07Å; F441-K444 WeakPolarHBondContact O-CB 3.26Å; F441-K444 PolarHBondContact O-N 2.77Å; A442-K444 PolarHBondContact O-N 3.49Å; K444-V528 HydrophobicContact CD-CG2 4.26Å
445	V	91.6	Very high	85.3	Confident	80 Å²	80	61 Å²	61	49%	0.485	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122	176.8	-175	0	0	0	0	109.2	L434 S438	L434-V445 HydrophobicContact CD2-CB 4.31Å; L434-V445 HydrophobicContact CD2-CG1 3.67Å; L434-V445 HydrophobicContact CD2-CG2 3.67Å; S438-V445 VanDerWaalsContact CB-CG1 3.5Å
446	I	92.6	Very high	86.7	Confident	21 Å²	21	61.7 Å²	61.7	11%	0.108	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.1	176.5	-52.2	-56.2	0	0	0	108.5	S438 Y439 F441 C450 V451 Y459 F461	S438-I446 WeakPolarHBondContact CA-O 3.19Å; Y439-I446 PolarHBondContact N-O 2.93Å; Y439-I446 PolarHBondContact O-N 3.3Å; F441-I446 HydrophobicContact CB-CD1 4Å; F441-I446 HydrophobicContact CB-CG1 3.64Å; F441-I446 HydrophobicContact CD1-CD1 4.3Å; F441-I446 HydrophobicContact CG-CG1 4.47Å; I446-C450 HydrophobicContact CG2-CB 3.93Å; I446-V451 HydrophobicContact CG2-CG2 3.82Å; I446-Y459 HydrophobicContact CG1-CE2 4.47Å; I446-F461 HydrophobicContact CD1-CD2 4.05Å; I446-F461 HydrophobicContact CD1-CE2 3.87Å; I446-F461 HydrophobicContact CG1-CD2 4.25Å; I446-F461 HydrophobicContact CG1-CE2 4.21Å; I446-F461 HydrophobicContact CG1-CZ 4.49Å; I446-F461 HydrophobicContact CG2-CB 3.89Å; I446-F461 HydrophobicContact CG2-CD2 4.09Å; I446-F461 HydrophobicContact CG2-CG 4Å
447	P	91	Very high	87.9	Confident	62 Å²	62	55 Å²	55	40%	0.403	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	143.9	174.2	-21.7	33.3	0	0	0	110.8	S449 C450	P447-S449 PolarHBondContact O-N 2.76Å; P447-S449 VanDerWaalsContact O-N 3.13Å; P447-C450 WeakPolarHBondContact O-CB 3.46Å; P447-C450 PolarHBondContact O-N 2.56Å
448	K	87.8	Confident	88.8	Confident	103 Å²	103	48.6 Å²	48.6	45%	0.448	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-55.3	-31.8	176.8	-179.7	177.2	179.2	-177.7	0	113.3	E437 Y439 C450 V451	E437-K448 HydrophobicContact CB-CB 4.26Å; E437-K448 VanDerWaalsContact O-CB 3.28Å; E437-K448 WeakPolarHBondContact O-CB 3.33Å; E437-K448 PolarHBondContact O-N 2.92Å; Y439-K448 HydrophobicContact CE2-CB 4.17Å; Y439-K448 HydrophobicContact CE2-CG 4.26Å; K448-C450 PolarHBondContact O-N 2.82Å; K448-V451 PolarHBondContact O-N 2.85Å
449	S	90.1	Very high	89.4	Confident	116 Å²	116	47 Å²	47	81%	0.811	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-61.4	-21	175.2	56.6	0	0	0	0	113.8	P447	P447-S449 PolarHBondContact O-N 2.76Å; P447-S449 VanDerWaalsContact O-N 3.13Å
450	C	93.1	Very high	89.8	Confident	37 Å²	37	44.9 Å²	44.9	25%	0.25	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-91.1	-14.4	177	-61.7	0	0	0	0	112.9	I446 P447 K448 F461 V462	I446-C450 HydrophobicContact CG2-CB 3.93Å; P447-C450 WeakPolarHBondContact O-CB 3.46Å; P447-C450 PolarHBondContact O-N 2.56Å; K448-C450 PolarHBondContact O-N 2.82Å; C450-F461 WeakPolarHBondContact O-CA 3.39Å; C450-F461 VanDerWaalsContact O-CB 3.3Å; C450-F461 WeakPolarHBondContact O-CB 3.37Å; C450-V462 HydrophobicContact CB-CG2 3.81Å; C450-V462 PolarHBondContact O-N 2.84Å
451	V	92	Very high	90.1	Very high	23 Å²	23	43.7 Å²	43.7	14%	0.139	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	114.1	-179.9	-179	0	0	0	0	109.4	Y439 I446 K448 Y453 Y459 A460 F461	Y439-V451 HydrophobicContact CD2-CB 4.37Å; Y439-V451 HydrophobicContact CD2-CG2 3.5Å; Y439-V451 VanDerWaalsContact CD2-CG2 3.5Å; Y439-V451 HydrophobicContact CE2-CB 4.19Å; Y439-V451 HydrophobicContact CE2-CG1 4.39Å; Y439-V451 HydrophobicContact CE2-CG2 3.81Å; Y439-V451 HydrophobicContact CG-CG2 4.21Å; I446-V451 HydrophobicContact CG2-CG2 3.82Å; K448-V451 PolarHBondContact O-N 2.85Å; V451-Y453 WeakPolarHBondContact CG1-O 3.3Å; V451-Y459 HydrophobicContact CG2-CD2 4.27Å; V451-A460 CarbonylContact C-O 3.55Å; V451-A460 WeakPolarHBondContact CA-O 3.39Å; V451-A460 WeakPolarHBondContact CG1-O 3.1Å; V451-F461 HydrophobicContact CG2-CB 4.16Å
452	F	90	Very high	90.2	Very high	90 Å²	90	47.1 Å²	47.1	40%	0.395	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-12.8	-176.8	63.4	-95.3	0	0	0	113.3	A460 V462 V472 I501	F452-A460 HydrophobicContact CE1-CB 4.15Å; F452-A460 HydrophobicContact CE2-CB 3.91Å; F452-A460 HydrophobicContact CZ-CB 3.62Å; F452-A460 PolarHBondContact N-O 3.42Å; F452-V462 HydrophobicContact CD1-CG1 4.23Å; F452-V472 HydrophobicContact CE1-CB 3.85Å; F452-V472 HydrophobicContact CE1-CG1 3.64Å; F452-V472 HydrophobicContact CE1-CG2 4.45Å; F452-V472 HydrophobicContact CZ-CB 3.8Å; F452-V472 HydrophobicContact CZ-CG1 3.8Å; F452-V472 HydrophobicContact CZ-CG2 3.9Å; F452-I501 HydrophobicContact CE2-CD1 4.25Å; F452-I501 HydrophobicContact CE2-CG1 4.17Å; F452-I501 HydrophobicContact CE2-CG2 4.24Å; F452-I501 HydrophobicContact CZ-CD1 4.49Å; F452-I501 HydrophobicContact CZ-CG2 4.25Å
453	Y	87.3	Confident	90.3	Very high	12 Å²	12	47.7 Å²	47.7	5%	0.047	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.9	176.2	-164.9	-102.3	0	0	0	110.6	R410 V451 T455 Y459 A460 C497 R500 I501	R410-Y453 HydrophobicContact CB-CE2 4.2Å; R410-Y453 HydrophobicContact CG-CD2 4.34Å; R410-Y453 HydrophobicContact CG-CE2 4.14Å; V451-Y453 WeakPolarHBondContact CG1-O 3.3Å; Y453-T455 HydrophobicContact CD1-CG2 4.49Å; Y453-T455 HydrophobicContact CE1-CG2 3.72Å; Y453-Y459 CarbonylContact O-C 3.56Å; Y453-Y459 WeakPolarHBondContact O-CA 3.43Å; Y453-A460 PolarHBondContact N-O 3.01Å; Y453-A460 PolarHBondContact O-N 3.26Å; Y453-C497 HydrophobicContact CE1-CB 4.28Å; Y453-R500 VanDerWaalsContact OH-CD 3.26Å; Y453-R500 WeakPolarHBondContact OH-CD 3.09Å; Y453-R500 PolarHBondContact OH-NH1 2.93Å; Y453-I501 HydrophobicContact CD1-CD1 4.3Å
454	L	86.9	Confident	90.5	Very high	30 Å²	30	52.8 Å²	52.8	16%	0.157	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	131.5	-175.5	-174.6	71.6	0	0	0	109.8	L411 Y439 Y459	L411-L454 HydrophobicContact CB-CD2 4.44Å; L411-L454 HydrophobicContact CD1-CB 4.44Å; L411-L454 HydrophobicContact CD1-CD2 3.56Å; L411-L454 HydrophobicContact CD1-CG 3.72Å; Y439-L454 HydrophobicContact CD1-CD1 4.47Å; Y439-L454 HydrophobicContact CE1-CD1 3.79Å; Y439-L454 HydrophobicContact CE1-CD2 4.12Å; Y439-L454 WeakPolarHBondContact OH-CD2 3.45Å; L454-Y459 VanDerWaalsContact CD1-CB 3.47Å
455	T	81.7	Confident	90.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.281	C	S	.	.			trans	-116.8	-174.5	167.6	69	0	0	0	0	109.6	C408 Y453 L457 T458 Q477 D493 C497	C408-T455 HydrophobicContact CB-CG2 4.25Å; C408-T455 WeakPolarHBondContact O-CG2 3.36Å; Y453-T455 HydrophobicContact CD1-CG2 4.49Å; Y453-T455 HydrophobicContact CE1-CG2 3.72Å; T455-L457 VanDerWaalsContact C-N 3.27Å; T455-L457 PolarHBondContact O-N 3.25Å; T455-L457 PolarHBondContact OG1-N 3.04Å; T455-T458 PolarHBondContact N-O 3.11Å; T455-T458 WeakPolarHBondContact OG1-CA 3.41Å; T455-T458 WeakPolarHBondContact OG1-CB 3.37Å; T455-T458 PolarHBondContact OG1-N 3.01Å; T455-T458 PolarHBondContact OG1-O 2.85Å; T455-Q477 PolarHBondContact O-NE2 3.05Å; T455-D493 PolarHBondContact OG1-OD1 2.95Å; T455-D493 PolarHBondContact OG1-OD2 2.9Å; T455-C497 WeakPolarHBondContact CG2-SG 3.06Å
456	R	77.5	Confident	90.6	Very high	65 Å²	65	55.9 Å²	55.9	25%	0.245	28%	0.279	C	S	.	.	S	Bend	trans	-63.5	-31.9	172.5	-174.4	179.4	71.1	86.2	-8	113	C408 F425 Q477 E489	C408-R456 PolarHBondContact SG-N 3.45Å; F425-R456 HydrophobicContact CD1-CG 4.24Å; F425-R456 HydrophobicContact CE1-CG 4.33Å; R456-Q477 PolarHBondContact O-NE2 3.28Å; R456-E489 IonicContact CZ-OE1 3.48Å; R456-E489 IonicContact CZ-OE2 3.87Å; R456-E489 IonicContact NH2-OE1 3.52Å; R456-E489 PolarHBondContact NH2-OE1 2.84Å; R456-E489 IonicContact NH2-OE2 3.13Å; R456-E489 PolarHBondContact NH2-OE2 2.63Å
457	L	86.4	Confident	90.5	Very high	13 Å²	13	56.7 Å²	56.7	7%	0.068	29%	0.285	C	S	.	.	S	Bend	trans	-116.8	-15.3	-170	-63.5	178.1	0	0	0	113.6	T455 P476 Q477 E489 E490 D493	T455-L457 VanDerWaalsContact C-N 3.27Å; T455-L457 PolarHBondContact O-N 3.25Å; T455-L457 PolarHBondContact OG1-N 3.04Å; L457-P476 CarbonylContact O-C 3.55Å; L457-P476 VanDerWaalsContact O-CA 3.26Å; L457-P476 WeakPolarHBondContact O-CA 3.42Å; L457-Q477 PolarHBondContact O-N 2.93Å; L457-E489 HydrophobicContact CD1-CB 4.13Å; L457-E489 HydrophobicContact CD1-CG 3.64Å; L457-E490 HydrophobicContact CD1-CG 4.26Å; L457-E490 HydrophobicContact CD2-CG 4.4Å; L457-D493 HydrophobicContact CB-CB 4.1Å; L457-D493 WeakPolarHBondContact CB-OD2 3.37Å; L457-D493 HydrophobicContact CD1-CB 4.15Å
458	T	91.4	Very high	90.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.7	-172.2	-57.3	0	0	0	0	110.9	T455 V474 A475 D493 L494 C497	T455-T458 PolarHBondContact N-O 3.11Å; T455-T458 WeakPolarHBondContact OG1-CA 3.41Å; T455-T458 WeakPolarHBondContact OG1-CB 3.37Å; T455-T458 PolarHBondContact OG1-N 3.01Å; T455-T458 PolarHBondContact OG1-O 2.85Å; T458-V474 HydrophobicContact CG2-CG1 3.42Å; T458-V474 VanDerWaalsContact CG2-CG1 3.42Å; T458-A475 CarbonylContact C-O 3.54Å; T458-A475 WeakPolarHBondContact CA-O 3.39Å; T458-A475 WeakPolarHBondContact CG2-O 3.45Å; T458-D493 WeakPolarHBondContact CB-OD2 3.45Å; T458-D493 PolarHBondContact N-OD2 3.47Å; T458-D493 PolarHBondContact OG1-OD2 3.44Å; T458-L494 HydrophobicContact CG2-CD1 3.79Å; T458-L494 WeakPolarHBondContact OG1-CA 3.26Å; T458-L494 PolarHBondContact OG1-N 3.3Å; T458-C497 HydrophobicContact CG2-CB 3.84Å
459	Y	94.1	Very high	90.9	Very high	2 Å²	2	55 Å²	55	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.5	170.2	67.5	-71	0	0	0	110	Y439 A440 F441 I446 V451 Y453 L454 F461 A475 P476 Q477	Y439-Y459 HydrophobicContact CG-CD2 4.5Å; A440-Y459 PolarHBondContact O-OH 3.44Å; F441-Y459 WeakPolarHBondContact CB-OH 3.22Å; F441-Y459 WeakPolarHBondContact CD2-OH 3.46Å; I446-Y459 HydrophobicContact CG1-CE2 4.47Å; V451-Y459 HydrophobicContact CG2-CD2 4.27Å; Y453-Y459 CarbonylContact O-C 3.56Å; Y453-Y459 WeakPolarHBondContact O-CA 3.43Å; L454-Y459 VanDerWaalsContact CD1-CB 3.47Å; Y459-F461 AromaticContact CD2-CD1 3.58Å; Y459-F461 HydrophobicContact CD2-CD1 3.58Å; Y459-F461 HydrophobicContact CD2-CE1 4.01Å; Y459-F461 AromaticContact CE2-CD1 3.42Å; Y459-F461 HydrophobicContact CE2-CD1 3.42Å; Y459-F461 VanDerWaalsContact CE2-CD1 3.42Å; Y459-F461 AromaticContact CE2-CE1 3.43Å; Y459-F461 HydrophobicContact CE2-CE1 3.43Å; Y459-F461 VanDerWaalsContact CE2-CE1 3.43Å; Y459-F461 HydrophobicContact CE2-CG 4.41Å; Y459-F461 HydrophobicContact CE2-CZ 4.42Å; Y459-F461 AromaticContact CZ-CE1 3.98Å; Y459-A475 HydrophobicContact CD1-CB 4.43Å; Y459-A475 WeakPolarHBondContact CD1-O 3.22Å; Y459-A475 HydrophobicContact CE1-CB 3.81Å; Y459-A475 PolarHBondContact N-O 2.91Å; Y459-A475 PolarHBondContact O-N 2.91Å; Y459-P476 VanDerWaalsContact CE1-O 3.27Å; Y459-P476 WeakPolarHBondContact CE1-O 3.43Å; Y459-Q477 HydrophobicContact CD1-CG 4.05Å
460	A	94.9	Very high	91	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.8	176.1	0	0	0	0	0	111.3	V451 F452 Y453 L473 V474 I501	V451-A460 CarbonylContact C-O 3.55Å; V451-A460 WeakPolarHBondContact CA-O 3.39Å; V451-A460 WeakPolarHBondContact CG1-O 3.1Å; F452-A460 HydrophobicContact CE1-CB 4.15Å; F452-A460 HydrophobicContact CE2-CB 3.91Å; F452-A460 HydrophobicContact CZ-CB 3.62Å; F452-A460 PolarHBondContact N-O 3.42Å; Y453-A460 PolarHBondContact N-O 3.01Å; Y453-A460 PolarHBondContact O-N 3.26Å; A460-L473 CarbonylContact C-O 3.4Å; A460-L473 VanDerWaalsContact CA-O 3.22Å; A460-L473 WeakPolarHBondContact CA-O 3.49Å; A460-V474 HydrophobicContact CB-CB 4.48Å; A460-V474 HydrophobicContact CB-CG1 4.33Å; A460-V474 HydrophobicContact CB-CG2 4.1Å; A460-I501 HydrophobicContact CB-CD1 3.27Å
461	F	96	Very high	91.2	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.022	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.8	-170.1	57.8	-82.6	0	0	0	112.2	F441 I446 C450 V451 Y459 L473 A475	F441-F461 HydrophobicContact CD1-CE2 4.24Å; F441-F461 AromaticContact CD1-CZ 3.92Å; F441-F461 HydrophobicContact CD1-CZ 3.92Å; F441-F461 HydrophobicContact CD2-CE1 4.43Å; F441-F461 AromaticContact CD2-CZ 3.93Å; F441-F461 HydrophobicContact CD2-CZ 3.93Å; F441-F461 HydrophobicContact CE1-CE2 4.36Å; F441-F461 AromaticContact CE1-CZ 3.98Å; F441-F461 HydrophobicContact CE1-CZ 3.98Å; F441-F461 HydrophobicContact CE2-CZ 4.05Å; F441-F461 AromaticContact CG-CZ 3.89Å; F441-F461 HydrophobicContact CG-CZ 3.89Å; F441-F461 HydrophobicContact CZ-CZ 4.07Å; I446-F461 HydrophobicContact CD1-CD2 4.05Å; I446-F461 HydrophobicContact CD1-CE2 3.87Å; I446-F461 HydrophobicContact CG1-CD2 4.25Å; I446-F461 HydrophobicContact CG1-CE2 4.21Å; I446-F461 HydrophobicContact CG1-CZ 4.49Å; I446-F461 HydrophobicContact CG2-CB 3.89Å; I446-F461 HydrophobicContact CG2-CD2 4.09Å; I446-F461 HydrophobicContact CG2-CG 4Å; C450-F461 WeakPolarHBondContact O-CA 3.39Å; C450-F461 VanDerWaalsContact O-CB 3.3Å; C450-F461 WeakPolarHBondContact O-CB 3.37Å; V451-F461 HydrophobicContact CG2-CB 4.16Å; Y459-F461 AromaticContact CD2-CD1 3.58Å; Y459-F461 HydrophobicContact CD2-CD1 3.58Å; Y459-F461 HydrophobicContact CD2-CE1 4.01Å; Y459-F461 AromaticContact CE2-CD1 3.42Å; Y459-F461 HydrophobicContact CE2-CD1 3.42Å; Y459-F461 VanDerWaalsContact CE2-CD1 3.42Å; Y459-F461 AromaticContact CE2-CE1 3.43Å; Y459-F461 HydrophobicContact CE2-CE1 3.43Å; Y459-F461 VanDerWaalsContact CE2-CE1 3.43Å; Y459-F461 HydrophobicContact CE2-CG 4.41Å; Y459-F461 HydrophobicContact CE2-CZ 4.42Å; Y459-F461 AromaticContact CZ-CE1 3.98Å; F461-L473 HydrophobicContact CD1-CB 4.49Å; F461-L473 HydrophobicContact CD2-CB 4.33Å; F461-L473 HydrophobicContact CE1-CB 4.01Å; F461-L473 HydrophobicContact CE2-CB 3.85Å; F461-L473 HydrophobicContact CE2-CD1 3.68Å; F461-L473 HydrophobicContact CE2-CG 4.28Å; F461-L473 HydrophobicContact CZ-CB 3.67Å; F461-L473 HydrophobicContact CZ-CD1 3.91Å; F461-L473 HydrophobicContact CZ-CG 4.42Å; F461-L473 PolarHBondContact N-O 3.13Å; F461-L473 PolarHBondContact O-N 2.89Å; F461-A475 HydrophobicContact CE1-CB 4.09Å
462	V	96.1	Very high	91.5	Very high	79 Å²	79	47.9 Å²	47.9	48%	0.479	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	142.3	178.4	-65.8	0	0	0	0	111.1	C450 F452	C450-V462 HydrophobicContact CB-CG2 3.81Å; C450-V462 PolarHBondContact O-N 2.84Å; F452-V462 HydrophobicContact CD1-CG1 4.23Å
463	N	94.5	Very high	91.8	Very high	36 Å²	36	44 Å²	44	19%	0.193	21%	0.211	C	C	.	.			trans	-80.6	137.7	177.1	-167.2	-17.6	0	0	0	110.6	K465 H471 L473	N463-K465 VanDerWaalsContact C-N 3.32Å; N463-K465 PolarHBondContact ND2-O 3.27Å; N463-K465 PolarHBondContact OD1-N 2.86Å; N463-H471 WeakPolarHBondContact CB-O 3.3Å; N463-H471 PolarHBondContact ND2-CE1 3.46Å; N463-H471 PolarHBondContact ND2-NE2 3.46Å; N463-L473 HydrophobicContact CB-CG 4.34Å
464	R	93.1	Very high	92.3	Very high	239 Å²	239	43.5 Å²	43.5	90%	0.902	21%	0.209	S	C	*	.	S	Bend	trans	-67.5	-32.2	173.6	-177.8	177.8	177.5	-179.6	0.5	112.4
465	K	92.7	Very high	92.8	Very high	170 Å²	170	42 Å²	42	74%	0.739	20%	0.201	S	C	*	.	S	Bend	trans	-127.1	74.2	178.8	-66.4	-174	179.2	-175.7	0	109.1	N463 V467	N463-K465 VanDerWaalsContact C-N 3.32Å; N463-K465 PolarHBondContact ND2-O 3.27Å; N463-K465 PolarHBondContact OD1-N 2.86Å; K465-V467 PolarHBondContact O-N 2.86Å
466	P	92.9	Very high	93.5	Very high	70 Å²	70	42 Å²	42	46%	0.455	20%	0.201	S	C	.	.			trans	-66.7	121.2	-179.7	28.8	-33.4	0	0	0	109.9	V468 H471	P466-V468 VanDerWaalsContact C-N 3.29Å; P466-V468 WeakPolarHBondContact CB-O 3.44Å; P466-V468 PolarHBondContact O-N 3.18Å; P466-H471 HydrophobicContact CB-CB 3.9Å
467	V	91.7	Very high	94.2	Very high	38 Å²	38	40.8 Å²	40.8	23%	0.23	20%	0.198	C	C	.	.	S	Bend	trans	-62.3	-38.5	176.4	-176.9	0	0	0	0	111.3	K465 H471 L536 F543 A552 V553	K465-V467 PolarHBondContact O-N 2.86Å; V467-H471 WeakPolarHBondContact CB-ND1 3.32Å; V467-H471 WeakPolarHBondContact CG2-ND1 3.5Å; V467-H471 PolarHBondContact N-ND1 3.42Å; V467-L536 HydrophobicContact CB-CD2 4.02Å; V467-L536 HydrophobicContact CG1-CD2 4.31Å; V467-F543 HydrophobicContact CG1-CE1 3.81Å; V467-F543 HydrophobicContact CG1-CZ 3.61Å; V467-A552 HydrophobicContact CG1-CB 3.79Å; V467-V553 HydrophobicContact CG2-CG2 3.71Å
468	V	92.8	Very high	94.5	Very high	17 Å²	17	44.3 Å²	44.3	10%	0.103	21%	0.211	C	C	.	.	S	Bend	trans	-131.9	159.1	169.3	-61.1	0	0	0	0	109	P466 G470 H471 L536 D542 F543	P466-V468 VanDerWaalsContact C-N 3.29Å; P466-V468 WeakPolarHBondContact CB-O 3.44Å; P466-V468 PolarHBondContact O-N 3.18Å; V468-G470 PolarHBondContact O-N 3.49Å; V468-H471 HydrophobicContact CG2-CB 4.3Å; V468-H471 WeakPolarHBondContact O-CB 3.45Å; V468-H471 PolarHBondContact O-N 2.96Å; V468-L536 HydrophobicContact CG2-CB 3.85Å; V468-L536 HydrophobicContact CG2-CD2 4.17Å; V468-L536 HydrophobicContact CG2-CG 4.28Å; V468-D542 HydrophobicContact CG1-CB 4.45Å; V468-F543 HydrophobicContact CG1-CE2 3.66Å; V468-F543 HydrophobicContact CG1-CZ 3.54Å
469	E	92.8	Very high	94.6	Very high	113 Å²	113	47.7 Å²	47.7	53%	0.528	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	131.5	172.4	-171	-172	-165.1	0	0	110.8	Y509 P537 R539	E469-Y509 HydrophobicContact CG-CE1 3.83Å; E469-P537 WeakPolarHBondContact O-CG 3.46Å; E469-R539 IonicContact OE2-CZ 3.76Å; E469-R539 VanDerWaalsContact OE2-CZ 3.27Å; E469-R539 IonicContact OE2-NH1 3.82Å; E469-R539 PolarHBondContact OE2-NH1 3.18Å; E469-R539 IonicContact OE2-NH2 3.75Å; E469-R539 PolarHBondContact OE2-NH2 3.45Å
470	G	94	Very high	94.6	Very high	12 Å²	12	48.1 Å²	48.1	12%	0.124	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-0.9	-176.6	0	0	0	0	0	115.4	V468 V472 Y509 P537	V468-G470 PolarHBondContact O-N 3.49Å; G470-V472 PolarHBondContact O-N 3.3Å; G470-V472 VanDerWaalsContact O-N 3.14Å; G470-Y509 VanDerWaalsContact CA-OH 3.3Å; G470-Y509 WeakPolarHBondContact CA-OH 3.32Å; G470-Y509 PolarHBondContact N-OH 3.11Å; G470-P537 WeakPolarHBondContact O-CD 3.49Å
471	H	96.6	Very high	94.7	Very high	5 Å²	5	51 Å²	51	2%	0.023	25%	0.254	C	S	.	.			trans	-62.1	113.5	172.6	177.3	174.6	0	0	0	111	N463 P466 V467 V468 H534 V535 L536	N463-H471 WeakPolarHBondContact CB-O 3.3Å; N463-H471 PolarHBondContact ND2-CE1 3.46Å; N463-H471 PolarHBondContact ND2-NE2 3.46Å; P466-H471 HydrophobicContact CB-CB 3.9Å; V467-H471 WeakPolarHBondContact CB-ND1 3.32Å; V467-H471 WeakPolarHBondContact CG2-ND1 3.5Å; V467-H471 PolarHBondContact N-ND1 3.42Å; V468-H471 HydrophobicContact CG2-CB 4.3Å; V468-H471 WeakPolarHBondContact O-CB 3.45Å; V468-H471 PolarHBondContact O-N 2.96Å; H471-H534 AromaticContact CE1-ND1 3.39Å; H471-H534 PolarHBondContact CE1-ND1 2.96Å; H471-H534 AromaticContact NE2-CE1 3.92Å; H471-H534 AromaticContact NE2-CG 3.76Å; H471-H534 AromaticContact NE2-ND1 2.9Å; H471-H534 PolarHBondContact NE2-ND1 2.64Å; H471-V535 WeakPolarHBondContact CA-O 3.43Å; H471-L536 HydrophobicContact CB-CG 4.22Å
472	V	97.6	Very high	94.7	Very high	10 Å²	10	54.3 Å²	54.3	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	163.7	175.7	-61	0	0	0	0	111.8	F452 G470 I501 L505 V535	F452-V472 HydrophobicContact CE1-CB 3.85Å; F452-V472 HydrophobicContact CE1-CG1 3.64Å; F452-V472 HydrophobicContact CE1-CG2 4.45Å; F452-V472 HydrophobicContact CZ-CB 3.8Å; F452-V472 HydrophobicContact CZ-CG1 3.8Å; F452-V472 HydrophobicContact CZ-CG2 3.9Å; G470-V472 PolarHBondContact O-N 3.3Å; G470-V472 VanDerWaalsContact O-N 3.14Å; V472-I501 HydrophobicContact CG2-CG2 3.7Å; V472-L505 HydrophobicContact CG2-CD1 3.75Å; V472-V535 HydrophobicContact CG2-CB 4.04Å; V472-V535 PolarHBondContact N-O 3.46Å; V472-V535 VanDerWaalsContact N-O 3.15Å; V472-V535 PolarHBondContact O-N 2.76Å
473	L	98	Very high	94.7	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.1	177.5	-58.4	-179.2	0	0	0	110.4	F441 A460 F461 N463 V533 H534	F441-L473 HydrophobicContact CE1-CD1 4.44Å; F441-L473 HydrophobicContact CZ-CD1 4.49Å; A460-L473 CarbonylContact C-O 3.4Å; A460-L473 VanDerWaalsContact CA-O 3.22Å; A460-L473 WeakPolarHBondContact CA-O 3.49Å; F461-L473 HydrophobicContact CD1-CB 4.49Å; F461-L473 HydrophobicContact CD2-CB 4.33Å; F461-L473 HydrophobicContact CE1-CB 4.01Å; F461-L473 HydrophobicContact CE2-CB 3.85Å; F461-L473 HydrophobicContact CE2-CD1 3.68Å; F461-L473 HydrophobicContact CE2-CG 4.28Å; F461-L473 HydrophobicContact CZ-CB 3.67Å; F461-L473 HydrophobicContact CZ-CD1 3.91Å; F461-L473 HydrophobicContact CZ-CG 4.42Å; F461-L473 PolarHBondContact N-O 3.13Å; F461-L473 PolarHBondContact O-N 2.89Å; N463-L473 HydrophobicContact CB-CG 4.34Å; L473-V533 WeakPolarHBondContact CA-O 3.15Å; L473-H534 HydrophobicContact CD2-CB 4.4Å; L473-H534 VanDerWaalsContact CD2-ND1 3.31Å; L473-H534 WeakPolarHBondContact CD2-ND1 3.35Å
474	V	97.5	Very high	94.7	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123	175.4	-166.6	0	0	0	0	108.4	T458 A460 L494 C497 V498 I501 H532 V533 V535	T458-V474 HydrophobicContact CG2-CG1 3.42Å; T458-V474 VanDerWaalsContact CG2-CG1 3.42Å; A460-V474 HydrophobicContact CB-CB 4.48Å; A460-V474 HydrophobicContact CB-CG1 4.33Å; A460-V474 HydrophobicContact CB-CG2 4.1Å; V474-L494 HydrophobicContact CB-CD1 4.41Å; V474-L494 HydrophobicContact CG1-CD1 3.86Å; V474-C497 HydrophobicContact CG1-CB 3.93Å; V474-V498 HydrophobicContact CB-CG2 4.04Å; V474-V498 HydrophobicContact CG1-CG2 4.17Å; V474-V498 HydrophobicContact CG2-CG2 4.1Å; V474-I501 HydrophobicContact CG1-CD1 4.19Å; V474-I501 HydrophobicContact CG2-CD1 3.57Å; V474-H532 CarbonylContact O-C 3.49Å; V474-H532 WeakPolarHBondContact O-CA 3.42Å; V474-V533 HydrophobicContact CB-CB 4.35Å; V474-V533 PolarHBondContact N-O 2.68Å; V474-V533 PolarHBondContact O-N 3.11Å; V474-V535 HydrophobicContact CG2-CG2 3.98Å
475	A	97.3	Very high	94.9	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.2	-174.1	0	0	0	0	0	111.8	F441 T458 Y459 F461 V531 H532	F441-A475 HydrophobicContact CD2-CB 4.38Å; F441-A475 HydrophobicContact CE2-CB 4.29Å; T458-A475 CarbonylContact C-O 3.54Å; T458-A475 WeakPolarHBondContact CA-O 3.39Å; T458-A475 WeakPolarHBondContact CG2-O 3.45Å; Y459-A475 HydrophobicContact CD1-CB 4.43Å; Y459-A475 WeakPolarHBondContact CD1-O 3.22Å; Y459-A475 HydrophobicContact CE1-CB 3.81Å; Y459-A475 PolarHBondContact N-O 2.91Å; Y459-A475 PolarHBondContact O-N 2.91Å; F461-A475 HydrophobicContact CE1-CB 4.09Å; A475-V531 WeakPolarHBondContact CB-O 3.21Å; A475-H532 HydrophobicContact CB-CB 4.28Å
476	P	95.2	Very high	94.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	147.1	170.6	29.9	-32.4	0	0	0	109.8	L457 Y459 R478 V480 L486 H530 V531	L457-P476 CarbonylContact O-C 3.55Å; L457-P476 VanDerWaalsContact O-CA 3.26Å; L457-P476 WeakPolarHBondContact O-CA 3.42Å; Y459-P476 VanDerWaalsContact CE1-O 3.27Å; Y459-P476 WeakPolarHBondContact CE1-O 3.43Å; P476-R478 VanDerWaalsContact C-N 3.28Å; P476-R478 PolarHBondContact O-N 3.25Å; P476-V480 HydrophobicContact CG-CG2 4.43Å; P476-L486 HydrophobicContact CB-CD2 3.91Å; P476-L486 HydrophobicContact CG-CD1 4.38Å; P476-L486 HydrophobicContact CG-CD2 3.84Å; P476-H530 PolarHBondContact O-CE1 2.81Å; P476-H530 PolarHBondContact O-NE2 2.82Å; P476-V531 VanDerWaalsContact CD-O 3.3Å; P476-V531 WeakPolarHBondContact CD-O 3.48Å; P476-V531 HydrophobicContact CG-CB 4.15Å; P476-V531 HydrophobicContact CG-CG1 4.46Å
477	Q	92	Very high	94.6	Very high	38 Å²	38	41.6 Å²	41.6	18%	0.178	23%	0.227	C	C	.	.	S	Bend	trans	-65.3	-35.4	175.4	-71	-162.2	35.8	0	0	111.4	T455 R456 L457 Y459 C479	T455-Q477 PolarHBondContact O-NE2 3.05Å; R456-Q477 PolarHBondContact O-NE2 3.28Å; L457-Q477 PolarHBondContact O-N 2.93Å; Y459-Q477 HydrophobicContact CD1-CG 4.05Å; Q477-C479 PolarHBondContact O-N 2.97Å
478	R	92.8	Very high	94.3	Very high	88 Å²	88	42 Å²	42	33%	0.332	24%	0.235	S	C	.	.	S	Bend	trans	-75.2	117.6	175.8	-172.1	171	64.5	97.2	-2.8	109.8	P476 V480 L485 E490 H530	P476-R478 VanDerWaalsContact C-N 3.28Å; P476-R478 PolarHBondContact O-N 3.25Å; R478-V480 HydrophobicContact CG-CG1 4.33Å; R478-V480 VanDerWaalsContact CZ-CG1 3.49Å; R478-V480 PolarHBondContact O-N 3.47Å; R478-L485 PolarHBondContact NH2-O 2.89Å; R478-E490 WeakPolarHBondContact CB-OE1 3.37Å; R478-E490 IonicContact CZ-OE1 3.27Å; R478-E490 IonicContact CZ-OE2 3.52Å; R478-E490 IonicContact NE-OE1 2.86Å; R478-E490 PolarHBondContact NE-OE1 3.14Å; R478-E490 IonicContact NE-OE2 2.76Å; R478-E490 IonicContact NH2-OE1 2.97Å; R478-E490 PolarHBondContact NH2-OE1 3.33Å; R478-E490 IonicContact NH2-OE2 3.46Å; R478-E490 PolarHBondContact NH2-OE2 3.18Å; R478-H530 PolarHBondContact O-NE2 2.95Å
479	C	94.3	Very high	93.8	Very high	70 Å²	70	43.4 Å²	43.4	47%	0.473	24%	0.24	S	C	.	.			trans	-68.3	98	179.2	-170.5	0	0	0	0	111.7	Q477 H530	Q477-C479 PolarHBondContact O-N 2.97Å; C479-H530 WeakPolarHBondContact CA-NE2 3.2Å
480	V	94.7	Very high	93.6	Very high	11 Å²	11	38.2 Å²	38.2	7%	0.067	22%	0.215	C	C	.	.			trans	-120.1	146.2	170.7	-64.3	0	0	0	0	111	P476 R478 L485 L486 H530 V531	P476-V480 HydrophobicContact CG-CG2 4.43Å; R478-V480 HydrophobicContact CG-CG1 4.33Å; R478-V480 VanDerWaalsContact CZ-CG1 3.49Å; R478-V480 PolarHBondContact O-N 3.47Å; V480-L485 HydrophobicContact CB-CB 4.07Å; V480-L485 HydrophobicContact CG1-CB 4.21Å; V480-L486 HydrophobicContact CG2-CD2 3.29Å; V480-L486 HydrophobicContact CG2-CG 3.91Å; V480-H530 CarbonylContact O-C 3.48Å; V480-H530 WeakPolarHBondContact O-CA 3.16Å; V480-V531 HydrophobicContact CG2-CB 4.37Å; V480-V531 HydrophobicContact CG2-CG2 3.85Å; V480-V531 PolarHBondContact O-N 3.31Å
481	T	95.8	Very high	93.5	Very high	62 Å²	62	40.1 Å²	40.1	38%	0.38	23%	0.225	S	C	.	.	S	Bend	trans	-83.2	-29	-175.3	53.8	0	0	0	0	113.7	Q526 K529	T481-Q526 PolarHBondContact O-NE2 2.9Å; T481-Q526 PolarHBondContact O-OE1 2.86Å; T481-K529 HydrophobicContact CG2-CB 4.06Å
482	K	96.6	Very high	93.2	Very high	73 Å²	73	41.3 Å²	41.3	32%	0.317	24%	0.235	S	C	.	.	S	Bend	trans	-123.4	144.4	-172.5	-71.6	-67	-161.9	158.4	0	111.8	S484 L485 D520 V531	K482-S484 PolarHBondContact O-N 3.1Å; K482-L485 HydrophobicContact CB-CD1 3.99Å; K482-L485 HydrophobicContact CB-CG 4.01Å; K482-L485 WeakPolarHBondContact O-CB 3.37Å; K482-L485 PolarHBondContact O-N 3.38Å; K482-L485 VanDerWaalsContact O-N 3.11Å; K482-D520 WeakPolarHBondContact CA-OD1 3.4Å; K482-D520 WeakPolarHBondContact CD-OD1 3.48Å; K482-D520 PolarHBondContact NZ-O 3.24Å; K482-V531 WeakPolarHBondContact O-CG2 3.31Å
483	L	96	Very high	92.8	Very high	48 Å²	48	41 Å²	41	25%	0.251	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.4	-37.4	178.3	-175.4	69.4	0	0	0	111.4	L485 L486 L494 F495 I518 D520 V531	L483-L485 PolarHBondContact O-N 2.98Å; L483-L485 VanDerWaalsContact O-N 3.11Å; L483-L486 HydrophobicContact CD1-CD1 3.91Å; L483-L486 WeakPolarHBondContact O-CB 3.3Å; L483-L486 PolarHBondContact O-N 3.44Å; L483-L486 VanDerWaalsContact O-N 3.12Å; L483-L494 HydrophobicContact CD1-CD2 4.42Å; L483-F495 HydrophobicContact CD1-CE2 4.39Å; L483-I518 HydrophobicContact CD1-CD1 4.38Å; L483-I518 HydrophobicContact CD2-CD1 4.32Å; L483-D520 WeakPolarHBondContact CB-OD2 3.32Å; L483-D520 PolarHBondContact N-OD1 2.78Å; L483-D520 VanDerWaalsContact N-OD1 3.11Å; L483-D520 PolarHBondContact N-OD2 2.92Å; L483-V531 HydrophobicContact CD1-CG1 4.14Å
484	S	95.5	Very high	92.6	Very high	102 Å²	102	40.6 Å²	40.6	71%	0.713	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-65.2	-8.9	177.9	59	0	0	0	0	115.2	K482	K482-S484 PolarHBondContact O-N 3.1Å
485	L	95.7	Very high	92.5	Very high	92 Å²	92	44.1 Å²	44.1	48%	0.482	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-93.8	-6	176.4	-62.5	174.9	0	0	0	113.2	R478 V480 K482 L483	R478-L485 PolarHBondContact NH2-O 2.89Å; V480-L485 HydrophobicContact CB-CB 4.07Å; V480-L485 HydrophobicContact CG1-CB 4.21Å; K482-L485 HydrophobicContact CB-CD1 3.99Å; K482-L485 HydrophobicContact CB-CG 4.01Å; K482-L485 WeakPolarHBondContact O-CB 3.37Å; K482-L485 PolarHBondContact O-N 3.38Å; K482-L485 VanDerWaalsContact O-N 3.11Å; L483-L485 PolarHBondContact O-N 2.98Å; L483-L485 VanDerWaalsContact O-N 3.11Å
486	L	92.5	Very high	92.2	Very high	17 Å²	17	46.7 Å²	46.7	9%	0.089	26%	0.259	C	S	.	.	S	Bend	trans	-76	143.4	171.7	-65.1	-177.7	0	0	0	110.4	P476 V480 L483 E490 V491 L494 V531	P476-L486 HydrophobicContact CB-CD2 3.91Å; P476-L486 HydrophobicContact CG-CD1 4.38Å; P476-L486 HydrophobicContact CG-CD2 3.84Å; V480-L486 HydrophobicContact CG2-CD2 3.29Å; V480-L486 HydrophobicContact CG2-CG 3.91Å; L483-L486 HydrophobicContact CD1-CD1 3.91Å; L483-L486 WeakPolarHBondContact O-CB 3.3Å; L483-L486 PolarHBondContact O-N 3.44Å; L483-L486 VanDerWaalsContact O-N 3.12Å; L486-E490 WeakPolarHBondContact CA-OE2 3.3Å; L486-E490 HydrophobicContact CB-CB 4.09Å; L486-E490 HydrophobicContact CD2-CB 4Å; L486-E490 HydrophobicContact CD2-CG 4.49Å; L486-E490 WeakPolarHBondContact CD2-OE2 3.5Å; L486-E490 HydrophobicContact CG-CB 4.46Å; L486-V491 HydrophobicContact CB-CG2 3.68Å; L486-V491 HydrophobicContact CD1-CG2 4.33Å; L486-L494 HydrophobicContact CD1-CD2 3.86Å; L486-V531 HydrophobicContact CD1-CG1 4.25Å
487	D	87.8	Confident	92.1	Very high	69 Å²	69	46.8 Å²	46.8	37%	0.369	26%	0.26	S	S	.	.			trans	-79	169.6	169.2	68.6	47.2	0	0	0	111.4	E489 E490 V491	D487-E489 PolarHBondContact O-N 3.22Å; D487-E489 WeakPolarHBondContact OD1-CA 3.28Å; D487-E489 WeakPolarHBondContact OD1-CB 3.28Å; D487-E489 PolarHBondContact OD1-N 2.91Å; D487-E490 PolarHBondContact N-OE2 3.05Å; D487-E490 PolarHBondContact O-N 3.25Å; D487-E490 PolarHBondContact OD1-N 3.05Å; D487-V491 WeakPolarHBondContact O-CG2 3.39Å; D487-V491 PolarHBondContact O-N 3.19Å
488	A	85.6	Confident	92.3	Very high	47 Å²	47	45.1 Å²	45.1	39%	0.388	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-29.5	-177	0	0	0	0	0	113.3	C403 A492	C403-A488 HydrophobicContact CB-CB 4.09Å; A488-A492 VanDerWaalsContact O-CB 3.3Å; A488-A492 WeakPolarHBondContact O-CB 3.44Å; A488-A492 PolarHBondContact O-N 3.45Å
489	E	81.8	Confident	92.3	Very high	45 Å²	45	45.8 Å²	45.8	21%	0.21	26%	0.259	C	S	.	.	H	α-helix	trans	-74.3	-42.2	178.8	-162.5	-174.3	-177.7	0	0	110.8	R456 L457 D487 A492 D493	R456-E489 IonicContact CZ-OE1 3.48Å; R456-E489 IonicContact CZ-OE2 3.87Å; R456-E489 IonicContact NH2-OE1 3.52Å; R456-E489 PolarHBondContact NH2-OE1 2.84Å; R456-E489 IonicContact NH2-OE2 3.13Å; R456-E489 PolarHBondContact NH2-OE2 2.63Å; L457-E489 HydrophobicContact CD1-CB 4.13Å; L457-E489 HydrophobicContact CD1-CG 3.64Å; D487-E489 PolarHBondContact O-N 3.22Å; D487-E489 WeakPolarHBondContact OD1-CA 3.28Å; D487-E489 WeakPolarHBondContact OD1-CB 3.28Å; D487-E489 PolarHBondContact OD1-N 2.91Å; E489-A492 PolarHBondContact O-N 3.1Å; E489-D493 WeakPolarHBondContact O-CB 3.33Å; E489-D493 PolarHBondContact O-N 3.22Å
490	E	89.3	Confident	92.2	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-42.8	174.9	-69.6	172.7	136.6	0	0	112	L457 R478 L486 D487 D493 L494	L457-E490 HydrophobicContact CD1-CG 4.26Å; L457-E490 HydrophobicContact CD2-CG 4.4Å; R478-E490 WeakPolarHBondContact CB-OE1 3.37Å; R478-E490 IonicContact CZ-OE1 3.27Å; R478-E490 IonicContact CZ-OE2 3.52Å; R478-E490 IonicContact NE-OE1 2.86Å; R478-E490 PolarHBondContact NE-OE1 3.14Å; R478-E490 IonicContact NE-OE2 2.76Å; R478-E490 IonicContact NH2-OE1 2.97Å; R478-E490 PolarHBondContact NH2-OE1 3.33Å; R478-E490 IonicContact NH2-OE2 3.46Å; R478-E490 PolarHBondContact NH2-OE2 3.18Å; L486-E490 WeakPolarHBondContact CA-OE2 3.3Å; L486-E490 HydrophobicContact CB-CB 4.09Å; L486-E490 HydrophobicContact CD2-CB 4Å; L486-E490 HydrophobicContact CD2-CG 4.49Å; L486-E490 WeakPolarHBondContact CD2-OE2 3.5Å; L486-E490 HydrophobicContact CG-CB 4.46Å; D487-E490 PolarHBondContact N-OE2 3.05Å; D487-E490 PolarHBondContact O-N 3.25Å; D487-E490 PolarHBondContact OD1-N 3.05Å; E490-D493 PolarHBondContact O-N 2.84Å; E490-L494 WeakPolarHBondContact O-CB 3.45Å; E490-L494 PolarHBondContact O-N 3.38Å
491	V	92.2	Very high	92.1	Very high	53 Å²	53	47.2 Å²	47.2	32%	0.321	25%	0.254	S	S	.	.	H	α-helix	trans	-60.5	-47.5	175.2	172.8	0	0	0	0	110.3	L486 D487 F495	L486-V491 HydrophobicContact CB-CG2 3.68Å; L486-V491 HydrophobicContact CD1-CG2 4.33Å; D487-V491 WeakPolarHBondContact O-CG2 3.39Å; D487-V491 PolarHBondContact O-N 3.19Å; V491-F495 HydrophobicContact CG1-CD2 4.09Å; V491-F495 HydrophobicContact CG1-CE2 4.39Å; V491-F495 WeakPolarHBondContact O-CD2 3.45Å; V491-F495 PolarHBondContact O-N 2.96Å; V491-F495 VanDerWaalsContact O-N 3.1Å
492	A	89.4	Confident	92.1	Very high	29 Å²	29	46.7 Å²	46.7	24%	0.24	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-51.5	178.2	0	0	0	0	0	111.4	A405 A488 E489 L494 F495 M496	A405-A492 HydrophobicContact CB-CB 3.67Å; A488-A492 VanDerWaalsContact O-CB 3.3Å; A488-A492 WeakPolarHBondContact O-CB 3.44Å; A488-A492 PolarHBondContact O-N 3.45Å; E489-A492 PolarHBondContact O-N 3.1Å; A492-L494 PolarHBondContact O-N 3.27Å; A492-F495 PolarHBondContact O-N 3.09Å; A492-M496 HydrophobicContact CB-CE 4.28Å; A492-M496 VanDerWaalsContact O-CB 3.31Å; A492-M496 WeakPolarHBondContact O-CB 3.33Å; A492-M496 WeakPolarHBondContact O-CE 3.31Å; A492-M496 WeakPolarHBondContact O-CG 3.42Å; A492-M496 PolarHBondContact O-N 3.19Å
493	D	89.1	Confident	91.9	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.027	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-43	-179.3	-173.4	79.8	0	0	0	111.9	T455 L457 T458 E489 E490 M496 C497	T455-D493 PolarHBondContact OG1-OD1 2.95Å; T455-D493 PolarHBondContact OG1-OD2 2.9Å; L457-D493 HydrophobicContact CB-CB 4.1Å; L457-D493 WeakPolarHBondContact CB-OD2 3.37Å; L457-D493 HydrophobicContact CD1-CB 4.15Å; T458-D493 WeakPolarHBondContact CB-OD2 3.45Å; T458-D493 PolarHBondContact N-OD2 3.47Å; T458-D493 PolarHBondContact OG1-OD2 3.44Å; E489-D493 WeakPolarHBondContact O-CB 3.33Å; E489-D493 PolarHBondContact O-N 3.22Å; E490-D493 PolarHBondContact O-N 2.84Å; D493-M496 PolarHBondContact O-N 3.12Å; D493-C497 WeakPolarHBondContact O-CB 3.42Å; D493-C497 PolarHBondContact O-N 2.9Å; D493-C497 PolarHBondContact O-SG 3.35Å
494	L	94.3	Very high	91.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-52.9	178.1	-179	65.1	0	0	0	111.4	T458 V474 L483 L486 E490 A492 C497 V498 V531 V533	T458-L494 HydrophobicContact CG2-CD1 3.79Å; T458-L494 WeakPolarHBondContact OG1-CA 3.26Å; T458-L494 PolarHBondContact OG1-N 3.3Å; V474-L494 HydrophobicContact CB-CD1 4.41Å; V474-L494 HydrophobicContact CG1-CD1 3.86Å; L483-L494 HydrophobicContact CD1-CD2 4.42Å; L486-L494 HydrophobicContact CD1-CD2 3.86Å; E490-L494 WeakPolarHBondContact O-CB 3.45Å; E490-L494 PolarHBondContact O-N 3.38Å; A492-L494 PolarHBondContact O-N 3.27Å; L494-C497 WeakPolarHBondContact O-CB 3.33Å; L494-C497 PolarHBondContact O-N 3.15Å; L494-V498 WeakPolarHBondContact O-CG2 3.34Å; L494-V498 PolarHBondContact O-N 2.94Å; L494-V531 HydrophobicContact CD2-CG1 4.17Å; L494-V533 HydrophobicContact CD1-CG2 4.12Å; L494-V533 HydrophobicContact CD2-CG2 3.91Å; L494-V533 HydrophobicContact CG-CG2 4Å
495	F	95.1	Very high	91.7	Very high	73 Å²	73	46.6 Å²	46.6	32%	0.32	24%	0.239	S	C	.	.	H	α-helix	trans	-76.5	-27.4	-176.9	-79.2	-80.1	0	0	0	113.4	L483 V491 A492 C497 V498 Q499 I518	L483-F495 HydrophobicContact CD1-CE2 4.39Å; V491-F495 HydrophobicContact CG1-CD2 4.09Å; V491-F495 HydrophobicContact CG1-CE2 4.39Å; V491-F495 WeakPolarHBondContact O-CD2 3.45Å; V491-F495 PolarHBondContact O-N 2.96Å; V491-F495 VanDerWaalsContact O-N 3.1Å; A492-F495 PolarHBondContact O-N 3.09Å; F495-C497 VanDerWaalsContact C-N 3.31Å; F495-V498 PolarHBondContact O-N 3.16Å; F495-Q499 WeakPolarHBondContact O-CG 3.17Å; F495-Q499 PolarHBondContact O-N 3.13Å; F495-I518 HydrophobicContact CE1-CD1 4.16Å; F495-I518 HydrophobicContact CE2-CD1 4.37Å; F495-I518 HydrophobicContact CZ-CD1 3.5Å
496	M	91.1	Very high	91.7	Very high	54 Å²	54	44.1 Å²	44.1	27%	0.266	23%	0.225	S	C	.	.	H	α-helix	trans	-63.7	-38.4	167.1	-73.2	-173.4	-59.8	0	0	111.5	A405 V407 A492 D493 R500	A405-M496 HydrophobicContact CB-CE 4.4Å; V407-M496 HydrophobicContact CB-SD 4.48Å; V407-M496 HydrophobicContact CG2-CE 4.44Å; V407-M496 HydrophobicContact CG2-SD 3.7Å; A492-M496 HydrophobicContact CB-CE 4.28Å; A492-M496 VanDerWaalsContact O-CB 3.31Å; A492-M496 WeakPolarHBondContact O-CB 3.33Å; A492-M496 WeakPolarHBondContact O-CE 3.31Å; A492-M496 WeakPolarHBondContact O-CG 3.42Å; A492-M496 PolarHBondContact O-N 3.19Å; D493-M496 PolarHBondContact O-N 3.12Å; M496-R500 WeakPolarHBondContact O-CB 3.31Å; M496-R500 PolarHBondContact O-N 2.95Å; M496-R500 VanDerWaalsContact O-N 3.13Å
497	C	92	Very high	91.7	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-47	172.4	-69	0	0	0	0	111.3	Y453 T455 T458 V474 D493 L494 F495 Q499 R500 I501	Y453-C497 HydrophobicContact CE1-CB 4.28Å; T455-C497 WeakPolarHBondContact CG2-SG 3.06Å; T458-C497 HydrophobicContact CG2-CB 3.84Å; V474-C497 HydrophobicContact CG1-CB 3.93Å; D493-C497 WeakPolarHBondContact O-CB 3.42Å; D493-C497 PolarHBondContact O-N 2.9Å; D493-C497 PolarHBondContact O-SG 3.35Å; L494-C497 WeakPolarHBondContact O-CB 3.33Å; L494-C497 PolarHBondContact O-N 3.15Å; F495-C497 VanDerWaalsContact C-N 3.31Å; C497-Q499 PolarHBondContact O-N 3.04Å; C497-R500 PolarHBondContact O-N 3.24Å; C497-R500 VanDerWaalsContact O-N 3.16Å; C497-I501 HydrophobicContact CB-CD1 4.47Å; C497-I501 WeakPolarHBondContact O-CB 3.41Å; C497-I501 WeakPolarHBondContact O-CD1 3.2Å; C497-I501 VanDerWaalsContact O-CG1 3.22Å; C497-I501 WeakPolarHBondContact O-CG1 3.3Å; C497-I501 PolarHBondContact O-N 2.78Å
498	V	96.2	Very high	92	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-54.6	-53.6	176.8	170.2	0	0	0	0	110.8	V474 L494 F495 R500 I501 E502 V516 V533 V535	V474-V498 HydrophobicContact CB-CG2 4.04Å; V474-V498 HydrophobicContact CG1-CG2 4.17Å; V474-V498 HydrophobicContact CG2-CG2 4.1Å; L494-V498 WeakPolarHBondContact O-CG2 3.34Å; L494-V498 PolarHBondContact O-N 2.94Å; F495-V498 PolarHBondContact O-N 3.16Å; V498-R500 VanDerWaalsContact C-N 3.26Å; V498-R500 PolarHBondContact O-N 3.48Å; V498-I501 PolarHBondContact O-N 3.22Å; V498-I501 VanDerWaalsContact O-N 3.12Å; V498-E502 WeakPolarHBondContact O-CB 3.28Å; V498-E502 PolarHBondContact O-N 2.92Å; V498-V516 HydrophobicContact CG1-CG1 3.8Å; V498-V516 HydrophobicContact CG1-CG2 4.12Å; V498-V533 HydrophobicContact CG1-CG1 4.31Å; V498-V533 HydrophobicContact CG2-CB 3.8Å; V498-V533 HydrophobicContact CG2-CG1 3.73Å; V498-V533 HydrophobicContact CG2-CG2 3.95Å; V498-V535 HydrophobicContact CG1-CG2 4.02Å
499	Q	93.9	Very high	92.5	Very high	102 Å²	102	57 Å²	57	48%	0.477	27%	0.268	S	S	.	.	H	α-helix	trans	-57.1	-38.7	178.2	-76.4	-172.5	-7.7	0	0	112.9	F495 C497 R503	F495-Q499 WeakPolarHBondContact O-CG 3.17Å; F495-Q499 PolarHBondContact O-N 3.13Å; C497-Q499 PolarHBondContact O-N 3.04Å; Q499-R503 WeakPolarHBondContact O-CG 3.43Å; Q499-R503 PolarHBondContact O-N 3.1Å; Q499-R503 PolarHBondContact O-NE 3.45Å
500	R	91.5	Very high	93.1	Very high	105 Å²	105	58.2 Å²	58.2	40%	0.396	29%	0.292	S	S	.	.	H	α-helix	trans	-70.2	-39.5	179.4	-170.5	176.9	-170.7	153.1	10.3	111.8	Y453 M496 C497 V498 A504	Y453-R500 VanDerWaalsContact OH-CD 3.26Å; Y453-R500 WeakPolarHBondContact OH-CD 3.09Å; Y453-R500 PolarHBondContact OH-NH1 2.93Å; M496-R500 WeakPolarHBondContact O-CB 3.31Å; M496-R500 PolarHBondContact O-N 2.95Å; M496-R500 VanDerWaalsContact O-N 3.13Å; C497-R500 PolarHBondContact O-N 3.24Å; C497-R500 VanDerWaalsContact O-N 3.16Å; V498-R500 VanDerWaalsContact C-N 3.26Å; V498-R500 PolarHBondContact O-N 3.48Å; R500-A504 WeakPolarHBondContact O-CB 3.44Å; R500-A504 PolarHBondContact O-N 2.7Å
501	I	93.3	Very high	93.3	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-71	-46.6	-179.5	-70.2	164.9	0	0	0	109.9	F452 Y453 A460 V472 V474 C497 V498 R503 A504 L505	F452-I501 HydrophobicContact CE2-CD1 4.25Å; F452-I501 HydrophobicContact CE2-CG1 4.17Å; F452-I501 HydrophobicContact CE2-CG2 4.24Å; F452-I501 HydrophobicContact CZ-CD1 4.49Å; F452-I501 HydrophobicContact CZ-CG2 4.25Å; Y453-I501 HydrophobicContact CD1-CD1 4.3Å; A460-I501 HydrophobicContact CB-CD1 3.27Å; V472-I501 HydrophobicContact CG2-CG2 3.7Å; V474-I501 HydrophobicContact CG1-CD1 4.19Å; V474-I501 HydrophobicContact CG2-CD1 3.57Å; C497-I501 HydrophobicContact CB-CD1 4.47Å; C497-I501 WeakPolarHBondContact O-CB 3.41Å; C497-I501 WeakPolarHBondContact O-CD1 3.2Å; C497-I501 VanDerWaalsContact O-CG1 3.22Å; C497-I501 WeakPolarHBondContact O-CG1 3.3Å; C497-I501 PolarHBondContact O-N 2.78Å; V498-I501 PolarHBondContact O-N 3.22Å; V498-I501 VanDerWaalsContact O-N 3.12Å; I501-R503 PolarHBondContact O-N 3.44Å; I501-A504 WeakPolarHBondContact O-CA 3.2Å; I501-A504 WeakPolarHBondContact O-CB 3.44Å; I501-A504 PolarHBondContact O-N 3.46Å; I501-L505 HydrophobicContact CG2-CD1 3.81Å; I501-L505 HydrophobicContact CG2-CG 4.17Å; I501-L505 WeakPolarHBondContact O-CG 3.37Å; I501-L505 PolarHBondContact O-N 2.96Å
502	E	95.6	Very high	93.4	Very high	51 Å²	51	62.5 Å²	62.5	24%	0.238	32%	0.321	C	S	.	.	H	α-helix	trans	-50.7	-56	173.5	-179.4	-178.7	-160.4	0	0	111.3	V498 A504 L505 E506 V535	V498-E502 WeakPolarHBondContact O-CB 3.28Å; V498-E502 PolarHBondContact O-N 2.92Å; E502-A504 PolarHBondContact O-N 3.34Å; E502-L505 PolarHBondContact O-N 3.07Å; E502-L505 VanDerWaalsContact O-N 3.1Å; E502-E506 PolarHBondContact O-N 2.89Å; E502-V535 HydrophobicContact CB-CG1 4.18Å
503	R	93.2	Very high	93.6	Very high	145 Å²	145	64 Å²	64	55%	0.547	33%	0.33	S	S	.	.	H	α-helix	trans	-56.6	-36.2	176.6	-74.2	-172	-67.9	-99	2	113.3	Q499 I501 K507	Q499-R503 WeakPolarHBondContact O-CG 3.43Å; Q499-R503 PolarHBondContact O-N 3.1Å; Q499-R503 PolarHBondContact O-NE 3.45Å; I501-R503 PolarHBondContact O-N 3.44Å; R503-K507 VanDerWaalsContact O-CB 3.3Å; R503-K507 WeakPolarHBondContact O-CB 3.45Å; R503-K507 PolarHBondContact O-N 3.3Å
504	A	92.8	Very high	93.8	Very high	55 Å²	55	65 Å²	65	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-72.5	-40.4	178.9	0	0	0	0	0	112	R500 I501 E502 F508	R500-A504 WeakPolarHBondContact O-CB 3.44Å; R500-A504 PolarHBondContact O-N 2.7Å; I501-A504 WeakPolarHBondContact O-CA 3.2Å; I501-A504 WeakPolarHBondContact O-CB 3.44Å; I501-A504 PolarHBondContact O-N 3.46Å; E502-A504 PolarHBondContact O-N 3.34Å; A504-F508 VanDerWaalsContact O-CB 3.28Å; A504-F508 WeakPolarHBondContact O-CB 3.27Å; A504-F508 PolarHBondContact O-N 3.12Å
505	L	94.1	Very high	93.8	Very high	22 Å²	22	66.4 Å²	66.4	12%	0.115	35%	0.346	C	S	.	.	H	α-helix	trans	-66.7	-48.7	177.4	-68.2	173.1	0	0	0	111	V472 I501 E502 K507 F508 Y509 V535 P537	V472-L505 HydrophobicContact CG2-CD1 3.75Å; I501-L505 HydrophobicContact CG2-CD1 3.81Å; I501-L505 HydrophobicContact CG2-CG 4.17Å; I501-L505 WeakPolarHBondContact O-CG 3.37Å; I501-L505 PolarHBondContact O-N 2.96Å; E502-L505 PolarHBondContact O-N 3.07Å; E502-L505 VanDerWaalsContact O-N 3.1Å; L505-K507 VanDerWaalsContact C-N 3.32Å; L505-K507 PolarHBondContact O-N 2.79Å; L505-F508 PolarHBondContact O-N 3.3Å; L505-F508 VanDerWaalsContact O-N 3.1Å; L505-Y509 HydrophobicContact CB-CD2 4.47Å; L505-Y509 HydrophobicContact CD2-CE2 4.04Å; L505-Y509 VanDerWaalsContact O-CD2 3.28Å; L505-Y509 WeakPolarHBondContact O-CD2 3.45Å; L505-Y509 PolarHBondContact O-N 3.33Å; L505-V535 HydrophobicContact CD1-CB 4.36Å; L505-V535 HydrophobicContact CD1-CG1 3.79Å; L505-P537 HydrophobicContact CB-CB 4.33Å; L505-P537 HydrophobicContact CB-CG 4.4Å
506	E	94.6	Very high	93.9	Very high	40 Å²	40	65.8 Å²	65.8	19%	0.187	35%	0.348	C	S	.	.	H	α-helix	trans	-57.4	-46.3	177.6	-73.5	-174.7	166.1	0	0	111.6	E502 F508 G510 L511 S513 S514	E502-E506 PolarHBondContact O-N 2.89Å; E506-F508 PolarHBondContact O-N 3.11Å; E506-G510 WeakPolarHBondContact O-CA 3.31Å; E506-G510 PolarHBondContact O-N 2.92Å; E506-L511 PolarHBondContact O-N 2.87Å; E506-S513 WeakPolarHBondContact OE1-CA 3.18Å; E506-S513 PolarHBondContact OE1-N 2.86Å; E506-S514 VanDerWaalsContact CG-OG 3.31Å; E506-S514 WeakPolarHBondContact CG-OG 3.36Å; E506-S514 PolarHBondContact OE1-N 2.8Å; E506-S514 PolarHBondContact OE1-OG 3.41Å
507	K	93.6	Very high	94.1	Very high	184 Å²	184	64.4 Å²	64.4	80%	0.8	34%	0.343	S	S	*	.	H	α-helix	trans	-61.4	-42.1	175.3	-175.8	177.4	-178.6	176.9	0	112.5	R503 L505	R503-K507 VanDerWaalsContact O-CB 3.3Å; R503-K507 WeakPolarHBondContact O-CB 3.45Å; R503-K507 PolarHBondContact O-N 3.3Å; L505-K507 VanDerWaalsContact C-N 3.32Å; L505-K507 PolarHBondContact O-N 2.79Å
508	F	94.4	Very high	94.3	Very high	159 Å²	159	66.6 Å²	66.6	70%	0.697	35%	0.354	S	S	*	.	H	α-helix	trans	-68.8	-42.7	-177.7	-178.9	-95.3	0	0	0	112.3	A504 L505 E506	A504-F508 VanDerWaalsContact O-CB 3.28Å; A504-F508 WeakPolarHBondContact O-CB 3.27Å; A504-F508 PolarHBondContact O-N 3.12Å; L505-F508 PolarHBondContact O-N 3.3Å; L505-F508 VanDerWaalsContact O-N 3.1Å; E506-F508 PolarHBondContact O-N 3.11Å
509	Y	94.3	Very high	94.2	Very high	61 Å²	61	67 Å²	67	24%	0.239	36%	0.356	C	S	.	.	H	α-helix	trans	-87.9	-2.7	-179.3	-69.5	-72.9	0	0	0	113.9	E469 G470 L505 L511 P537	E469-Y509 HydrophobicContact CG-CE1 3.83Å; G470-Y509 VanDerWaalsContact CA-OH 3.3Å; G470-Y509 WeakPolarHBondContact CA-OH 3.32Å; G470-Y509 PolarHBondContact N-OH 3.11Å; L505-Y509 HydrophobicContact CB-CD2 4.47Å; L505-Y509 HydrophobicContact CD2-CE2 4.04Å; L505-Y509 VanDerWaalsContact O-CD2 3.28Å; L505-Y509 WeakPolarHBondContact O-CD2 3.45Å; L505-Y509 PolarHBondContact O-N 3.33Å; Y509-L511 VanDerWaalsContact C-N 3.32Å; Y509-P537 HydrophobicContact CD2-CB 4.38Å; Y509-P537 HydrophobicContact CD2-CG 4.03Å; Y509-P537 HydrophobicContact CE2-CG 4.21Å
510	G	94.5	Very high	94.4	Very high	70 Å²	70	64.6 Å²	64.6	72%	0.722	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	34.9	-177.3	0	0	0	0	0	113	E506	E506-G510 WeakPolarHBondContact O-CA 3.31Å; E506-G510 PolarHBondContact O-N 2.92Å
511	L	93.8	Very high	94.5	Very high	39 Å²	39	59.7 Å²	59.7	20%	0.204	33%	0.329	C	S	.	.			trans	-107.4	166.8	-177.2	-52.7	-179.3	0	0	0	110.9	E506 Y509 P537 R538 R539	E506-L511 PolarHBondContact O-N 2.87Å; Y509-L511 VanDerWaalsContact C-N 3.32Å; L511-P537 HydrophobicContact CD1-CB 3.83Å; L511-R538 WeakPolarHBondContact CD1-O 3.43Å; L511-R539 HydrophobicContact CD1-CG 3.9Å; L511-R539 HydrophobicContact CD2-CG 3.73Å; L511-R539 HydrophobicContact CG-CG 4.5Å
512	S	93.7	Very high	94.4	Very high	107 Å²	107	64.3 Å²	64.3	75%	0.748	36%	0.359	S	S	*	.	S	Bend	trans	-127.8	13.2	179.8	64.4	0	0	0	0	113
513	S	94.3	Very high	94.3	Very high	61 Å²	61	69.9 Å²	69.9	43%	0.427	39%	0.39	S	S	.	.			trans	-150.6	142.8	-174.9	-57.8	0	0	0	0	110.6	E506 R538	E506-S513 WeakPolarHBondContact OE1-CA 3.18Å; E506-S513 PolarHBondContact OE1-N 2.86Å; S513-R538 PolarHBondContact O-N 3.17Å
514	S	94.4	Very high	94.3	Very high	25 Å²	25	65.5 Å²	65.5	18%	0.175	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.1	176.8	-59.7	0	0	0	0	110.2	E506 L536	E506-S514 VanDerWaalsContact CG-OG 3.31Å; E506-S514 WeakPolarHBondContact CG-OG 3.36Å; E506-S514 PolarHBondContact OE1-N 2.8Å; E506-S514 PolarHBondContact OE1-OG 3.41Å; S514-L536 CarbonylContact C-O 3.59Å; S514-L536 VanDerWaalsContact CA-O 3.26Å; S514-L536 WeakPolarHBondContact CA-O 3.01Å
515	T	94.6	Very high	94.3	Very high	31 Å²	31	64.4 Å²	64.4	19%	0.19	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.9	166.7	-62.3	0	0	0	0	108.3	L536 R538	T515-L536 PolarHBondContact N-O 2.79Å; T515-L536 PolarHBondContact O-N 3.33Å; T515-R538 WeakPolarHBondContact OG1-CD 3.4Å; T515-R538 WeakPolarHBondContact OG1-CG 3.49Å; T515-R538 PolarHBondContact OG1-NH1 2.73Å
516	V	96	Very high	94.3	Very high	60 Å²	60	64.8 Å²	64.8	36%	0.364	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.1	173	-179.8	0	0	0	0	108	V498 V533 H534	V498-V516 HydrophobicContact CG1-CG1 3.8Å; V498-V516 HydrophobicContact CG1-CG2 4.12Å; V516-V533 HydrophobicContact CG1-CG1 3.48Å; V516-V533 VanDerWaalsContact CG1-CG1 3.48Å; V516-H534 WeakPolarHBondContact CA-O 3.38Å
517	C	95	Very high	94.3	Very high	24 Å²	24	67.7 Å²	67.7	16%	0.162	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.4	-174.2	-174.7	0	0	0	0	111.5	H534	C517-H534 HydrophobicContact CB-CB 4.29Å; C517-H534 PolarHBondContact N-O 3.21Å; C517-H534 PolarHBondContact O-N 3.36Å
518	I	96.1	Very high	94.3	Very high	48 Å²	48	59.1 Å²	59.1	25%	0.246	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.2	171.9	-57.7	179.6	0	0	0	107.9	L483 F495 D520 V533	L483-I518 HydrophobicContact CD1-CD1 4.38Å; L483-I518 HydrophobicContact CD2-CD1 4.32Å; F495-I518 HydrophobicContact CE1-CD1 4.16Å; F495-I518 HydrophobicContact CE2-CD1 4.37Å; F495-I518 HydrophobicContact CZ-CD1 3.5Å; I518-D520 HydrophobicContact CG2-CB 4.2Å; I518-V533 HydrophobicContact CD1-CG1 4.37Å; I518-V533 HydrophobicContact CD1-CG2 3.72Å; I518-V533 HydrophobicContact CG1-CB 4.2Å; I518-V533 HydrophobicContact CG1-CG1 3.95Å; I518-V533 HydrophobicContact CG1-CG2 3.89Å
519	Q	95.6	Very high	94.3	Very high	13 Å²	13	58.9 Å²	58.9	6%	0.061	36%	0.362	C	S	.	.			trans	-94.1	97.4	171.2	-61.6	173.9	-37.5	0	0	107.7	A524 G525 Q526	Q519-A524 VanDerWaalsContact CB-O 3.31Å; Q519-A524 WeakPolarHBondContact CB-O 3.49Å; Q519-A524 VanDerWaalsContact CG-O 3.29Å; Q519-A524 WeakPolarHBondContact CG-O 3.4Å; Q519-G525 PolarHBondContact OE1-O 3.34Å; Q519-Q526 HydrophobicContact CB-CB 4.19Å; Q519-Q526 WeakPolarHBondContact O-CB 3.26Å; Q519-Q526 WeakPolarHBondContact O-CG 3.33Å
520	D	96.4	Very high	94.4	Very high	52 Å²	52	56 Å²	56	28%	0.278	35%	0.351	S	S	.	.			trans	-103.7	79.6	-173.7	-168.3	22.2	0	0	0	112.4	K482 L483 I518	K482-D520 WeakPolarHBondContact CA-OD1 3.4Å; K482-D520 WeakPolarHBondContact CD-OD1 3.48Å; K482-D520 PolarHBondContact NZ-O 3.24Å; L483-D520 WeakPolarHBondContact CB-OD2 3.32Å; L483-D520 PolarHBondContact N-OD1 2.78Å; L483-D520 VanDerWaalsContact N-OD1 3.11Å; L483-D520 PolarHBondContact N-OD2 2.92Å; I518-D520 HydrophobicContact CG2-CB 4.2Å
521	G	94.2	Very high	94.6	Very high	2 Å²	2	52.7 Å²	52.7	2%	0.021	32%	0.317	C	S	.	.	S	Bend	trans	118.2	168.6	-178.4	0	0	0	0	0	114.8	D523 A524 G525 Q526	G521-D523 PolarHBondContact O-N 3.44Å; G521-A524 PolarHBondContact O-N 2.79Å; G521-G525 PolarHBondContact O-N 2.79Å; G521-Q526 WeakPolarHBondContact O-CB 3.44Å; G521-Q526 PolarHBondContact O-N 3.08Å
522	P	91.8	Very high	94.8	Very high	102 Å²	102	51.1 Å²	51.1	66%	0.662	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-62.1	-44	-174.3	24.3	-33.3	0	0	0	112.8	A524 G525	P522-A524 PolarHBondContact O-N 2.93Å; P522-G525 PolarHBondContact O-N 3.49Å
523	D	93.1	Very high	95	Very high	168 Å²	168	46 Å²	46	90%	0.898	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-72	-14.8	-178.8	-50.9	-53.5	0	0	0	112.9	G521 G525	G521-D523 PolarHBondContact O-N 3.44Å; D523-G525 VanDerWaalsContact C-N 3.34Å
524	A	93.5	Very high	95.1	Very high	53 Å²	53	43.6 Å²	43.6	44%	0.438	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-90.5	3.2	172	0	0	0	0	0	112.8	Q519 G521 P522	Q519-A524 VanDerWaalsContact CB-O 3.31Å; Q519-A524 WeakPolarHBondContact CB-O 3.49Å; Q519-A524 VanDerWaalsContact CG-O 3.29Å; Q519-A524 WeakPolarHBondContact CG-O 3.4Å; G521-A524 PolarHBondContact O-N 2.79Å; P522-A524 PolarHBondContact O-N 2.93Å
525	G	92.5	Very high	95.3	Very high	31 Å²	31	42.4 Å²	42.4	32%	0.32	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	13	-179.9	0	0	0	0	0	115.1	Q519 G521 P522 D523 T527	Q519-G525 PolarHBondContact OE1-O 3.34Å; G521-G525 PolarHBondContact O-N 2.79Å; P522-G525 PolarHBondContact O-N 3.49Å; D523-G525 VanDerWaalsContact C-N 3.34Å; G525-T527 WeakPolarHBondContact O-CG2 3.43Å; G525-T527 PolarHBondContact O-N 3.39Å
526	Q	94.6	Very high	95.3	Very high	31 Å²	31	41 Å²	41	15%	0.145	24%	0.238	C	C	.	.			trans	-63.3	105.6	-176.7	-168.6	-178.5	21.1	0	0	112	T481 Q519 G521 V528 H530	T481-Q526 PolarHBondContact O-NE2 2.9Å; T481-Q526 PolarHBondContact O-OE1 2.86Å; Q519-Q526 HydrophobicContact CB-CB 4.19Å; Q519-Q526 WeakPolarHBondContact O-CB 3.26Å; Q519-Q526 WeakPolarHBondContact O-CG 3.33Å; G521-Q526 WeakPolarHBondContact O-CB 3.44Å; G521-Q526 PolarHBondContact O-N 3.08Å; Q526-V528 VanDerWaalsContact CG-O 3.28Å; Q526-V528 WeakPolarHBondContact CG-O 3.29Å; Q526-V528 PolarHBondContact NE2-O 2.89Å; Q526-H530 PolarHBondContact NE2-O 3.46Å
527	T	93	Very high	95.3	Very high	101 Å²	101	38.2 Å²	38.2	62%	0.62	22%	0.221	S	C	*	.			trans	-83.3	-24.9	-176.4	62.1	0	0	0	0	114.3	G525	G525-T527 WeakPolarHBondContact O-CG2 3.43Å; G525-T527 PolarHBondContact O-N 3.39Å
528	V	94	Very high	95.2	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	22%	0.219	C	C	.	.	S	Bend	trans	-118.9	130.1	179.2	-178	0	0	0	0	109.3	F441 A442 K444 Q526 H530	F441-V528 HydrophobicContact CD1-CG1 3.98Å; F441-V528 HydrophobicContact CD2-CG1 4.46Å; F441-V528 HydrophobicContact CE1-CB 3.91Å; F441-V528 HydrophobicContact CE1-CG1 3.69Å; F441-V528 HydrophobicContact CE1-CG2 3.79Å; F441-V528 HydrophobicContact CE2-CG1 4.16Å; F441-V528 HydrophobicContact CG-CG1 4.36Å; F441-V528 HydrophobicContact CZ-CB 3.9Å; F441-V528 HydrophobicContact CZ-CG1 3.77Å; F441-V528 HydrophobicContact CZ-CG2 4.23Å; A442-V528 HydrophobicContact CB-CG1 3.58Å; K444-V528 HydrophobicContact CD-CG2 4.26Å; Q526-V528 VanDerWaalsContact CG-O 3.28Å; Q526-V528 WeakPolarHBondContact CG-O 3.29Å; Q526-V528 PolarHBondContact NE2-O 2.89Å; V528-H530 HydrophobicContact CG1-CB 4.23Å; V528-H530 PolarHBondContact O-N 3.01Å
529	K	94.9	Very high	95	Very high	155 Å²	155	40.9 Å²	40.9	67%	0.674	22%	0.224	S	C	*	.	S	Bend	trans	-76	50.5	-178.4	-64.5	-173.3	-177.8	-179.4	0	112.5	T481	T481-K529 HydrophobicContact CG2-CB 4.06Å
530	H	97.2	Very high	94.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-148	132.2	174.3	-169.9	169.3	0	0	0	106.9	F441 A442 P476 R478 C479 V480 Q526 V528 H532	F441-H530 HydrophobicContact CD2-CB 3.97Å; F441-H530 AromaticContact CD2-CG 3.88Å; F441-H530 AromaticContact CD2-ND1 3.49Å; F441-H530 WeakPolarHBondContact CD2-ND1 3.27Å; F441-H530 HydrophobicContact CE2-CB 3.89Å; A442-H530 HydrophobicContact CB-CB 4.01Å; A442-H530 PolarHBondContact N-ND1 3.11Å; P476-H530 PolarHBondContact O-CE1 2.81Å; P476-H530 PolarHBondContact O-NE2 2.82Å; R478-H530 PolarHBondContact O-NE2 2.95Å; C479-H530 WeakPolarHBondContact CA-NE2 3.2Å; V480-H530 CarbonylContact O-C 3.48Å; V480-H530 WeakPolarHBondContact O-CA 3.16Å; Q526-H530 PolarHBondContact NE2-O 3.46Å; V528-H530 HydrophobicContact CG1-CB 4.23Å; V528-H530 PolarHBondContact O-N 3.01Å; H530-H532 PolarHBondContact O-CE1 3.27Å; H530-H532 PolarHBondContact O-N 3.27Å; H530-H532 PolarHBondContact O-ND1 3.07Å
531	V	97.6	Very high	94.2	Very high	1 Å²	1	55 Å²	55	1%	0.006	28%	0.283	C	S	.	.			trans	-51.5	131.4	170.8	173.4	0	0	0	0	110	A475 P476 V480 K482 L483 L486 L494	A475-V531 WeakPolarHBondContact CB-O 3.21Å; P476-V531 VanDerWaalsContact CD-O 3.3Å; P476-V531 WeakPolarHBondContact CD-O 3.48Å; P476-V531 HydrophobicContact CG-CB 4.15Å; P476-V531 HydrophobicContact CG-CG1 4.46Å; V480-V531 HydrophobicContact CG2-CB 4.37Å; V480-V531 HydrophobicContact CG2-CG2 3.85Å; V480-V531 PolarHBondContact O-N 3.31Å; K482-V531 WeakPolarHBondContact O-CG2 3.31Å; L483-V531 HydrophobicContact CD1-CG1 4.14Å; L486-V531 HydrophobicContact CD1-CG1 4.25Å; L494-V531 HydrophobicContact CD2-CG1 4.17Å
532	H	97.7	Very high	93.9	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.028	29%	0.294	C	S	.	.			trans	-150.3	139.9	170.6	48.4	-73.1	0	0	0	109.5	F441 V474 A475 H530 H534	F441-H532 HydrophobicContact CE2-CB 3.84Å; F441-H532 AromaticContact CE2-CG 3.91Å; F441-H532 AromaticContact CE2-ND1 3.75Å; F441-H532 HydrophobicContact CZ-CB 3.93Å; F441-H532 AromaticContact CZ-CE1 3.92Å; F441-H532 AromaticContact CZ-CG 3.59Å; F441-H532 AromaticContact CZ-ND1 3.46Å; F441-H532 WeakPolarHBondContact CZ-ND1 3.19Å; V474-H532 CarbonylContact O-C 3.49Å; V474-H532 WeakPolarHBondContact O-CA 3.42Å; A475-H532 HydrophobicContact CB-CB 4.28Å; H530-H532 PolarHBondContact O-CE1 3.27Å; H530-H532 PolarHBondContact O-N 3.27Å; H530-H532 PolarHBondContact O-ND1 3.07Å; H532-H534 AromaticContact CD2-CD2 3.91Å; H532-H534 AromaticContact CD2-CE1 3.89Å; H532-H534 AromaticContact CD2-NE2 3.27Å; H532-H534 PolarHBondContact CD2-NE2 2.98Å; H532-H534 VanDerWaalsContact CD2-NE2 3.27Å; H532-H534 AromaticContact NE2-NE2 3.46Å; H532-H534 PolarHBondContact NE2-NE2 2.83Å
533	V	98	Very high	93.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126	174.1	-168.8	0	0	0	0	108.1	L473 V474 L494 V498 V516 I518	L473-V533 WeakPolarHBondContact CA-O 3.15Å; V474-V533 HydrophobicContact CB-CB 4.35Å; V474-V533 PolarHBondContact N-O 2.68Å; V474-V533 PolarHBondContact O-N 3.11Å; L494-V533 HydrophobicContact CD1-CG2 4.12Å; L494-V533 HydrophobicContact CD2-CG2 3.91Å; L494-V533 HydrophobicContact CG-CG2 4Å; V498-V533 HydrophobicContact CG1-CG1 4.31Å; V498-V533 HydrophobicContact CG2-CB 3.8Å; V498-V533 HydrophobicContact CG2-CG1 3.73Å; V498-V533 HydrophobicContact CG2-CG2 3.95Å; V516-V533 HydrophobicContact CG1-CG1 3.48Å; V516-V533 VanDerWaalsContact CG1-CG1 3.48Å; I518-V533 HydrophobicContact CD1-CG1 4.37Å; I518-V533 HydrophobicContact CD1-CG2 3.72Å; I518-V533 HydrophobicContact CG1-CB 4.2Å; I518-V533 HydrophobicContact CG1-CG1 3.95Å; I518-V533 HydrophobicContact CG1-CG2 3.89Å
534	H	97.5	Very high	92.9	Very high	10 Å²	10	52.5 Å²	52.5	5%	0.046	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.5	170.5	-62.6	-102.6	0	0	0	109.3	H471 L473 V516 C517 H532 L536	H471-H534 AromaticContact CE1-ND1 3.39Å; H471-H534 PolarHBondContact CE1-ND1 2.96Å; H471-H534 AromaticContact NE2-CE1 3.92Å; H471-H534 AromaticContact NE2-CG 3.76Å; H471-H534 AromaticContact NE2-ND1 2.9Å; H471-H534 PolarHBondContact NE2-ND1 2.64Å; L473-H534 HydrophobicContact CD2-CB 4.4Å; L473-H534 VanDerWaalsContact CD2-ND1 3.31Å; L473-H534 WeakPolarHBondContact CD2-ND1 3.35Å; V516-H534 WeakPolarHBondContact CA-O 3.38Å; C517-H534 HydrophobicContact CB-CB 4.29Å; C517-H534 PolarHBondContact N-O 3.21Å; C517-H534 PolarHBondContact O-N 3.36Å; H532-H534 AromaticContact CD2-CD2 3.91Å; H532-H534 AromaticContact CD2-CE1 3.89Å; H532-H534 AromaticContact CD2-NE2 3.27Å; H532-H534 PolarHBondContact CD2-NE2 2.98Å; H532-H534 VanDerWaalsContact CD2-NE2 3.27Å; H532-H534 AromaticContact NE2-NE2 3.46Å; H532-H534 PolarHBondContact NE2-NE2 2.83Å; H534-L536 HydrophobicContact CB-CD1 3.55Å
535	V	97.3	Very high	92	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	109.7	173.2	-172.8	0	0	0	0	108	H471 V472 V474 V498 E502 L505	H471-V535 WeakPolarHBondContact CA-O 3.43Å; V472-V535 HydrophobicContact CG2-CB 4.04Å; V472-V535 PolarHBondContact N-O 3.46Å; V472-V535 VanDerWaalsContact N-O 3.15Å; V472-V535 PolarHBondContact O-N 2.76Å; V474-V535 HydrophobicContact CG2-CG2 3.98Å; V498-V535 HydrophobicContact CG1-CG2 4.02Å; E502-V535 HydrophobicContact CB-CG1 4.18Å; L505-V535 HydrophobicContact CD1-CB 4.36Å; L505-V535 HydrophobicContact CD1-CG1 3.79Å
536	L	95.8	Very high	91	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	104	-175	-63.8	84.3	0	0	0	109.6	V467 V468 H471 S514 T515 H534 R538 V549	V467-L536 HydrophobicContact CB-CD2 4.02Å; V467-L536 HydrophobicContact CG1-CD2 4.31Å; V468-L536 HydrophobicContact CG2-CB 3.85Å; V468-L536 HydrophobicContact CG2-CD2 4.17Å; V468-L536 HydrophobicContact CG2-CG 4.28Å; H471-L536 HydrophobicContact CB-CG 4.22Å; S514-L536 CarbonylContact C-O 3.59Å; S514-L536 VanDerWaalsContact CA-O 3.26Å; S514-L536 WeakPolarHBondContact CA-O 3.01Å; T515-L536 PolarHBondContact N-O 2.79Å; T515-L536 PolarHBondContact O-N 3.33Å; H534-L536 HydrophobicContact CB-CD1 3.55Å; L536-R538 WeakPolarHBondContact O-CG 3.43Å; L536-R538 PolarHBondContact O-N 3.29Å; L536-V549 HydrophobicContact CD2-CG1 4.06Å
537	P	95.5	Very high	89.8	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	130.8	172.8	29.6	-32.9	0	0	0	109.3	E469 G470 L505 Y509 L511	E469-P537 WeakPolarHBondContact O-CG 3.46Å; G470-P537 WeakPolarHBondContact O-CD 3.49Å; L505-P537 HydrophobicContact CB-CB 4.33Å; L505-P537 HydrophobicContact CB-CG 4.4Å; Y509-P537 HydrophobicContact CD2-CB 4.38Å; Y509-P537 HydrophobicContact CD2-CG 4.03Å; Y509-P537 HydrophobicContact CE2-CG 4.21Å; L511-P537 HydrophobicContact CD1-CB 3.83Å
538	R	93.8	Very high	88.6	Confident	31 Å²	31	60.7 Å²	60.7	12%	0.117	29%	0.289	C	S	.	.			trans	-104.8	142.5	-168	-61	-59.5	-59.6	-83	-6.5	112.3	L511 S513 T515 L536 D542 F543 N546	L511-R538 WeakPolarHBondContact CD1-O 3.43Å; S513-R538 PolarHBondContact O-N 3.17Å; T515-R538 WeakPolarHBondContact OG1-CD 3.4Å; T515-R538 WeakPolarHBondContact OG1-CG 3.49Å; T515-R538 PolarHBondContact OG1-NH1 2.73Å; L536-R538 WeakPolarHBondContact O-CG 3.43Å; L536-R538 PolarHBondContact O-N 3.29Å; R538-D542 WeakPolarHBondContact CA-OD2 3.41Å; R538-D542 WeakPolarHBondContact CD-OD2 3.45Å; R538-D542 IonicContact CZ-OD1 3.44Å; R538-D542 IonicContact CZ-OD2 3.72Å; R538-D542 IonicContact NE-OD1 3.29Å; R538-D542 PolarHBondContact NE-OD1 3.02Å; R538-D542 IonicContact NE-OD2 2.79Å; R538-D542 PolarHBondContact NE-OD2 3.48Å; R538-D542 IonicContact NH2-OD1 2.73Å; R538-D542 PolarHBondContact NH2-OD1 3.26Å; R538-D542 IonicContact NH2-OD2 3.78Å; R538-F543 VanDerWaalsContact NH2-CD2 3.33Å; R538-N546 PolarHBondContact NH2-OD1 2.92Å
539	R	91.8	Very high	87.1	Confident	97 Å²	97	60.8 Å²	60.8	37%	0.366	29%	0.29	S	S	.	.			trans	-114.6	156.6	170.4	-65	-173.9	177.9	109	-10.1	109.6	E469 L511 N541 D542	E469-R539 IonicContact OE2-CZ 3.76Å; E469-R539 VanDerWaalsContact OE2-CZ 3.27Å; E469-R539 IonicContact OE2-NH1 3.82Å; E469-R539 PolarHBondContact OE2-NH1 3.18Å; E469-R539 IonicContact OE2-NH2 3.75Å; E469-R539 PolarHBondContact OE2-NH2 3.45Å; L511-R539 HydrophobicContact CD1-CG 3.9Å; L511-R539 HydrophobicContact CD2-CG 3.73Å; L511-R539 HydrophobicContact CG-CG 4.5Å; R539-N541 PolarHBondContact O-N 3.26Å; R539-D542 HydrophobicContact CB-CB 4.36Å; R539-D542 PolarHBondContact N-OD2 2.9Å; R539-D542 PolarHBondContact O-N 3.36Å
540	R	88.7	Confident	85.6	Confident	231 Å²	231	60.4 Å²	60.4	87%	0.872	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	125.1	170.6	-172.8	176.8	-177.1	-179.5	1.7	108.9
541	N	86.1	Confident	83.9	Confident	131 Å²	131	66.4 Å²	66.4	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	34.4	178.1	-46.7	-25.1	0	0	0	114.6	R539	R539-N541 PolarHBondContact O-N 3.26Å
542	D	88.5	Confident	81.8	Confident	46 Å²	46	69.2 Å²	69.2	25%	0.246	35%	0.345	C	S	.	.	S	Bend	trans	-71.7	-18.3	170.8	53	4.6	0	0	0	113.6	V468 R538 R539	V468-D542 HydrophobicContact CG1-CB 4.45Å; R538-D542 WeakPolarHBondContact CA-OD2 3.41Å; R538-D542 WeakPolarHBondContact CD-OD2 3.45Å; R538-D542 IonicContact CZ-OD1 3.44Å; R538-D542 IonicContact CZ-OD2 3.72Å; R538-D542 IonicContact NE-OD1 3.29Å; R538-D542 PolarHBondContact NE-OD1 3.02Å; R538-D542 IonicContact NE-OD2 2.79Å; R538-D542 PolarHBondContact NE-OD2 3.48Å; R538-D542 IonicContact NH2-OD1 2.73Å; R538-D542 PolarHBondContact NH2-OD1 3.26Å; R538-D542 IonicContact NH2-OD2 3.78Å; R539-D542 HydrophobicContact CB-CB 4.36Å; R539-D542 PolarHBondContact N-OD2 2.9Å; R539-D542 PolarHBondContact O-N 3.36Å
543	F	84.4	Confident	79.6	Confident	34 Å²	34	71.9 Å²	71.9	15%	0.149	36%	0.361	C	S	.	.	S	Bend	trans	-129	160	166.6	-57.8	-90	0	0	0	110.7	V467 V468 R538 E545 D548 V549 A552	V467-F543 HydrophobicContact CG1-CE1 3.81Å; V467-F543 HydrophobicContact CG1-CZ 3.61Å; V468-F543 HydrophobicContact CG1-CE2 3.66Å; V468-F543 HydrophobicContact CG1-CZ 3.54Å; R538-F543 VanDerWaalsContact NH2-CD2 3.33Å; F543-E545 WeakPolarHBondContact CB-O 3.12Å; F543-D548 HydrophobicContact CB-CB 4.07Å; F543-D548 HydrophobicContact CD1-CB 4.01Å; F543-D548 HydrophobicContact CG-CB 4.3Å; F543-V549 HydrophobicContact CD2-CG2 3.82Å; F543-V549 HydrophobicContact CE1-CG2 4.22Å; F543-V549 HydrophobicContact CE2-CG2 3.34Å; F543-V549 HydrophobicContact CG-CG2 4.44Å; F543-V549 HydrophobicContact CZ-CB 4.41Å; F543-V549 HydrophobicContact CZ-CG2 3.55Å; F543-A552 HydrophobicContact CE1-CB 4.41Å
544	T	78.9	Confident	78.7	Confident	139 Å²	139	75.5 Å²	75.5	85%	0.853	38%	0.379	S	S	*	.	S	Bend	trans	-62.8	-49.5	171.5	17.9	0	0	0	0	111.2	D548	T544-D548 PolarHBondContact OG1-OD2 3.19Å
545	E	74.5	Confident	77.7	Confident	135 Å²	135	78.9 Å²	78.9	63%	0.631	40%	0.397	S	S	*	.	S	Bend	trans	-117.4	136.4	169.1	-58.4	-171.7	175.9	0	0	108.7	F543 D547 D548	F543-E545 WeakPolarHBondContact CB-O 3.12Å; E545-D547 PolarHBondContact O-N 2.75Å; E545-D548 PolarHBondContact N-OD2 3.45Å; E545-D548 VanDerWaalsContact O-CB 3.24Å; E545-D548 WeakPolarHBondContact O-CB 3.19Å; E545-D548 PolarHBondContact O-N 2.79Å
546	N	70.4	Confident	76.6	Confident	109 Å²	109	83.3 Å²	83.3	58%	0.583	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.1	-174.9	-80.7	-28.1	0	0	0	113.8	R538	R538-N546 PolarHBondContact NH2-OD1 2.92Å
547	D	69.8	Low	75.5	Confident	107 Å²	107	88.1 Å²	88.1	57%	0.572	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.1	177	-65.8	-27.3	0	0	0	113	E545 V549 Y550	E545-D547 PolarHBondContact O-N 2.75Å; D547-V549 PolarHBondContact O-N 3.16Å; D547-Y550 HydrophobicContact CB-CD2 4.15Å; D547-Y550 HydrophobicContact CB-CE2 4.24Å; D547-Y550 WeakPolarHBondContact O-CD2 3.24Å; D547-Y550 PolarHBondContact O-N 3.03Å
548	D	68.3	Low	74.2	Confident	38 Å²	38	93.6 Å²	93.6	20%	0.203	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.6	175.8	-72.9	-27.3	0	0	0	112.6	F543 T544 E545 Y550 V551 A552	F543-D548 HydrophobicContact CB-CB 4.07Å; F543-D548 HydrophobicContact CD1-CB 4.01Å; F543-D548 HydrophobicContact CG-CB 4.3Å; T544-D548 PolarHBondContact OG1-OD2 3.19Å; E545-D548 PolarHBondContact N-OD2 3.45Å; E545-D548 VanDerWaalsContact O-CB 3.24Å; E545-D548 WeakPolarHBondContact O-CB 3.19Å; E545-D548 PolarHBondContact O-N 2.79Å; D548-Y550 PolarHBondContact O-N 3.38Å; D548-Y550 VanDerWaalsContact O-N 3.16Å; D548-V551 PolarHBondContact O-N 3Å; D548-A552 PolarHBondContact O-N 2.96Å; D548-A552 VanDerWaalsContact O-N 3.14Å
549	V	62.8	Low	72.9	Confident	4 Å²	4	97.7 Å²	97.7	2%	0.024	49%	0.494	C	S	.	.	H	α-helix	trans	-50.7	-37.3	170.4	178.7	0	0	0	0	110.9	L536 F543 D547 V551 A552 V553	L536-V549 HydrophobicContact CD2-CG1 4.06Å; F543-V549 HydrophobicContact CD2-CG2 3.82Å; F543-V549 HydrophobicContact CE1-CG2 4.22Å; F543-V549 HydrophobicContact CE2-CG2 3.34Å; F543-V549 HydrophobicContact CG-CG2 4.44Å; F543-V549 HydrophobicContact CZ-CB 4.41Å; F543-V549 HydrophobicContact CZ-CG2 3.55Å; D547-V549 PolarHBondContact O-N 3.16Å; V549-V551 VanDerWaalsContact C-N 3.3Å; V549-V551 PolarHBondContact O-N 3.14Å; V549-A552 PolarHBondContact O-N 3.04Å; V549-V553 HydrophobicContact CG1-CG2 4.08Å; V549-V553 WeakPolarHBondContact O-CG2 3.08Å; V549-V553 PolarHBondContact O-N 2.91Å
550	Y	62.7	Low	71.6	Confident	148 Å²	148	97.8 Å²	97.8	58%	0.58	50%	0.503	S	S	*	.	H	α-helix	trans	-74.2	-19.7	-179.3	-55.8	-63.5	0	0	0	113.6	D547 D548	D547-Y550 HydrophobicContact CB-CD2 4.15Å; D547-Y550 HydrophobicContact CB-CE2 4.24Å; D547-Y550 WeakPolarHBondContact O-CD2 3.24Å; D547-Y550 PolarHBondContact O-N 3.03Å; D548-Y550 PolarHBondContact O-N 3.38Å; D548-Y550 VanDerWaalsContact O-N 3.16Å
551	V	61.5	Low	70.2	Confident	125 Å²	125	87.5 Å²	87.5	76%	0.758	48%	0.475	S	S	*	.	H	α-helix	trans	-87.1	-25.2	176.1	-171.2	0	0	0	0	110.7	D548 V549	D548-V551 PolarHBondContact O-N 3Å; V549-V551 VanDerWaalsContact C-N 3.3Å; V549-V551 PolarHBondContact O-N 3.14Å
552	A	53	Low	68.9	Low	60 Å²	60	83.9 Å²	83.9	50%	0.496	46%	0.456	S	S	.	.	H	α-helix	trans	-93.3	-15.5	-174.8	0	0	0	0	0	115.1	V467 F543 D548 V549	V467-A552 HydrophobicContact CG1-CB 3.79Å; F543-A552 HydrophobicContact CE1-CB 4.41Å; D548-A552 PolarHBondContact O-N 2.96Å; D548-A552 VanDerWaalsContact O-N 3.14Å; V549-A552 PolarHBondContact O-N 3.04Å
553	V	52.4	Low	67.1	Low	62 Å²	62	87.4 Å²	87.4	38%	0.376	48%	0.475	S	S	.	.			trans	-99.7	0	176.9	-170.2	0	0	0	0	109.4	V467 V549	V467-V553 HydrophobicContact CG2-CG2 3.71Å; V549-V553 HydrophobicContact CG1-CG2 4.08Å; V549-V553 WeakPolarHBondContact O-CG2 3.08Å; V549-V553 PolarHBondContact O-N 2.91Å

Retrieved 553 of 553 residues in 1854.5 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).