G4VPP1_SCHMA Loading...

tRNA (guanine(37)-N1)-methyltransferase

Involved in mitochondrial tRNA methylation. Specifically methylates the N1 position of guanosine-37 in various tRNAs. Methylation is not dependent on the nature of the nucleoside 5' of the target nucleoside. This is the first step in the biosynthesis of wybutosine (yW), a modified base adjacent to the anticodon of tRNAs and required for accurate decoding. Specifically methylates the N1 position of guanosine-37 in various cytoplasmic and mitochondrial tRNAs. Methylation is not dependent on the nature of the nucleoside 5' of the target nucleoside. This is the first step in the biosynthesis of wybutosine (yW), a modified base adjacent to the anticodon of tRNAs and required for accurate decoding.

AlphaFold DB , UniProt , Accession G4VPP1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 589 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	33.6	Very low	242 Å²	242	167.2 Å²	167.2	100%	1.192	85%	0.851	S	S	*	*				0	100.2	0	-72.6	-179.9	-178.4	0	0	107.9	S3	M1-S3 PolarHBondContact O-N 3.26Å
2	T	35.4	Very low	33.3	Very low	146 Å²	146	168.2 Å²	168.2	90%	0.896	85%	0.846	S	S	*	*			trans	-80.8	100.3	178	39.6	0	0	0	0	109	K4	T2-K4 PolarHBondContact O-N 2.89Å
3	S	33.1	Very low	33.1	Very low	108 Å²	108	164.8 Å²	164.8	76%	0.755	84%	0.842	S	S	*	*			trans	-78.8	116.2	176	55.5	0	0	0	0	110.1	M1 I5	M1-S3 PolarHBondContact O-N 3.26Å; S3-I5 PolarHBondContact O-N 3.11Å
4	K	35	Very low	32.7	Very low	195 Å²	195	161.1 Å²	161.1	85%	0.848	84%	0.837	S	S	*	*			trans	-70.9	115.6	169.1	-74.1	178.2	173.4	-179.9	0	108.2	T2 N6	T2-K4 PolarHBondContact O-N 2.89Å; K4-N6 PolarHBondContact O-N 3.19Å
5	I	35.1	Very low	32.3	Very low	147 Å²	147	158.2 Å²	158.2	75%	0.754	83%	0.829	S	S	*	*			trans	-78.8	109.1	171.1	-65.9	172	0	0	0	107	S3 H7	S3-I5 PolarHBondContact O-N 3.11Å; I5-H7 PolarHBondContact O-N 3.07Å
6	N	33.1	Very low	32.2	Very low	147 Å²	147	158.8 Å²	158.8	79%	0.786	83%	0.827	S	S	*	*			trans	-70.9	115.4	173	-85.9	-21.7	0	0	0	109.2	K4 M8	K4-N6 PolarHBondContact O-N 3.19Å; N6-M8 PolarHBondContact O-N 3.42Å
7	H	34.6	Very low	32	Very low	180 Å²	180	159.2 Å²	159.2	83%	0.833	82%	0.82	S	S	*	*			trans	-70.9	105.9	163	-87.2	-72.9	0	0	0	108.7	I5	I5-H7 PolarHBondContact O-N 3.07Å
8	M	33.5	Very low	31.8	Very low	169 Å²	169	164 Å²	164	83%	0.833	83%	0.828	S	S	*	*			trans	-79.1	117.3	166.4	-70.6	-150.9	71.6	0	0	109.1	N6 E10	N6-M8 PolarHBondContact O-N 3.42Å; M8-E10 PolarHBondContact O-N 2.94Å
9	N	29.4	Very low	31.4	Very low	156 Å²	156	160.6 Å²	160.6	83%	0.834	82%	0.821	S	S	*	*			trans	-70.9	97.7	168.6	-84.9	-23.1	0	0	0	109.1	Q11	N9-Q11 PolarHBondContact O-N 2.83Å
10	E	33.4	Very low	31.4	Very low	158 Å²	158	161.7 Å²	161.7	74%	0.738	82%	0.823	S	S	*	*			trans	-83.4	107	163	-76.7	-174.7	166.4	0	0	109.1	M8 F12	M8-E10 PolarHBondContact O-N 2.94Å; E10-F12 HydrophobicContact CB-CE2 4.49Å; E10-F12 PolarHBondContact O-N 3.1Å
11	Q	29.4	Very low	31.2	Very low	191 Å²	191	162 Å²	162	89%	0.893	83%	0.826	S	S	*	*			trans	-65.8	108.2	169.8	-75.1	172.6	-30.6	0	0	109.2	N9	N9-Q11 PolarHBondContact O-N 2.83Å
12	F	29.3	Very low	30.7	Very low	179 Å²	179	160.3 Å²	160.3	79%	0.785	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-86.9	140	164.4	-86.6	-86.8	0	0	0	110.7	E10	E10-F12 HydrophobicContact CB-CE2 4.49Å; E10-F12 PolarHBondContact O-N 3.1Å
13	P	31.8	Very low	30.3	Very low	124 Å²	124	161.2 Å²	161.2	81%	0.805	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-74.3	146.7	-167.1	-12.1	29.4	0	0	0	113.1
14	C	26.5	Very low	30	Very low	113 Å²	113	162.8 Å²	162.8	76%	0.764	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-63.5	130.9	-178.5	-138	0	0	0	0	113.4
15	T	26.9	Very low	29.5	Very low	118 Å²	118	160.6 Å²	160.6	72%	0.724	81%	0.807	S	S	*	*			trans	38.8	104.3	136.6	59.1	0	0	0	0	119.2
16	E	31.3	Very low	29.3	Very low	168 Å²	168	162.8 Å²	162.8	79%	0.785	81%	0.811	S	S	*	*			trans	-149.5	126.1	145.3	-103.7	-172.6	-157.9	0	0	111.6
17	K	28.5	Very low	29.7	Very low	166 Å²	166	160.7 Å²	160.7	72%	0.722	81%	0.806	S	S	*	*			trans	61.4	83.7	153.3	-64.7	174.1	179.7	162.3	0	119.4
18	Y	28.2	Very low	30.3	Very low	245 Å²	245	157.9 Å²	157.9	96%	0.961	81%	0.805	S	S	*	*			trans	-135.9	75.5	144	-82.5	-83.1	0	0	0	109.8
19	S	25	Very low	31.3	Very low	100 Å²	100	151.2 Å²	151.2	70%	0.699	78%	0.779	S	S	*	*			trans	-87.7	140.8	157.8	46.1	0	0	0	0	108.2
20	E	30.4	Very low	33.2	Very low	182 Å²	182	147 Å²	147	85%	0.85	75%	0.754	S	S	*	*			trans	101.3	51.1	170.3	-54.1	-176.2	174.7	0	0	118.6
21	L	27.9	Very low	34.7	Very low	168 Å²	168	141.2 Å²	141.2	88%	0.88	73%	0.727	S	S	*	*			trans	-140.3	77.4	146.5	-77.2	174.3	0	0	0	109.1	E23	L21-E23 PolarHBondContact O-N 3.4Å
22	K	26.9	Very low	36.6	Very low	207 Å²	207	135.8 Å²	135.8	90%	0.9	71%	0.709	S	S	*	*			trans	-75.7	82.3	160.9	-79.8	-174.7	177	179.6	0	107.1	V24	K22-V24 PolarHBondContact O-N 3.31Å; K22-V24 VanDerWaalsContact O-N 3.08Å
23	E	26.5	Very low	38	Very low	164 Å²	164	131 Å²	131	77%	0.766	70%	0.696	S	S	*	*			trans	-56.8	114.5	162.1	-88	-173.5	143.9	0	0	107.7	L21 L25	L21-E23 PolarHBondContact O-N 3.4Å; E23-L25 PolarHBondContact O-N 3.45Å
24	V	26.9	Very low	39.5	Very low	142 Å²	142	127.7 Å²	127.7	86%	0.861	67%	0.674	S	S	*	*			trans	-64.6	91.1	167.2	177.4	0	0	0	0	105.7	K22 K26	K22-V24 PolarHBondContact O-N 3.31Å; K22-V24 VanDerWaalsContact O-N 3.08Å; V24-K26 PolarHBondContact O-N 3.15Å
25	L	24.9	Very low	41.1	Very low	149 Å²	149	126.8 Å²	126.8	78%	0.78	66%	0.661	S	S	*	*			trans	-52.6	108	173.1	-73	164.1	0	0	0	107.4	E23 P27	E23-L25 PolarHBondContact O-N 3.45Å; L25-P27 VanDerWaalsContact O-N 3.13Å
26	K	31.1	Very low	42.8	Very low	192 Å²	192	128.5 Å²	128.5	84%	0.835	67%	0.666	S	S	*	*			trans	-48	122.8	162.1	-78.5	179.8	176.7	176.6	0	105.8	V24 C28	V24-K26 PolarHBondContact O-N 3.15Å; K26-C28 PolarHBondContact O-N 3.45Å
27	P	41.5	Very low	44.5	Very low	104 Å²	104	123.4 Å²	123.4	68%	0.675	64%	0.643	S	S	*	*			trans	-62.2	114.3	179.2	25.8	-31.5	0	0	0	105.9	L25 G29	L25-P27 VanDerWaalsContact O-N 3.13Å; P27-G29 PolarHBondContact O-N 3.18Å
28	C	46.5	Very low	46.7	Very low	120 Å²	120	124.9 Å²	124.9	81%	0.811	65%	0.65	S	S	*	*			trans	-70.3	45.5	166.2	-164.3	0	0	0	0	108.6	K26 K30	K26-C28 PolarHBondContact O-N 3.45Å; C28-K30 VanDerWaalsContact C-N 3.25Å; C28-K30 PolarHBondContact O-N 2.88Å
29	G	55.7	Low	49.2	Very low	29 Å²	29	114.8 Å²	114.8	30%	0.299	61%	0.612	S	S	.	*			trans	-77.1	66.6	-140.1	0	0	0	0	0	113.1	P27	P27-G29 PolarHBondContact O-N 3.18Å
30	K	69.4	Low	52.1	Low	69 Å²	69	114.7 Å²	114.7	30%	0.3	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-65.4	131.8	162.3	-79.5	156.6	169.6	-153.8	0	108.2	C28 L197 P198 D199	C28-K30 VanDerWaalsContact C-N 3.25Å; C28-K30 PolarHBondContact O-N 2.88Å; K30-L197 WeakPolarHBondContact CE-O 3.36Å; K30-P198 HydrophobicContact CB-CG 4.34Å; K30-D199 IonicContact NZ-OD1 2.73Å; K30-D199 PolarHBondContact NZ-OD1 3.28Å; K30-D199 IonicContact NZ-OD2 2.87Å; K30-D199 PolarHBondContact NZ-OD2 2.94Å
31	L	64.7	Low	54.9	Low	35 Å²	35	111 Å²	111	18%	0.183	58%	0.582	C	S	.	*	P	Polyproline II helix	trans	-67.2	146.9	-172	-67.9	172.9	0	0	0	110.5	I37 L196 Y225 I228	L31-I37 HydrophobicContact CD2-CD1 4.31Å; L31-I37 HydrophobicContact CD2-CG2 4.17Å; L31-L196 HydrophobicContact CD1-CB 4.11Å; L31-L196 HydrophobicContact CD1-CD2 4.09Å; L31-L196 HydrophobicContact CD1-CG 4.47Å; L31-L196 PolarHBondContact N-O 2.92Å; L31-Y225 HydrophobicContact CB-CE1 4.32Å; L31-Y225 WeakPolarHBondContact O-CE1 3.32Å; L31-Y225 PolarHBondContact O-OH 3.27Å; L31-I228 HydrophobicContact CD1-CD1 3.13Å
32	P	67.7	Low	57.8	Low	78 Å²	78	105.8 Å²	105.8	51%	0.506	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-75.9	156.5	165.7	30.5	-31.6	0	0	0	111	T34 I37	P32-T34 HydrophobicContact CG-CG2 4.2Å; P32-T34 PolarHBondContact O-N 3.32Å; P32-I37 HydrophobicContact CG-CD1 3.99Å
33	P	59.5	Low	60.7	Low	78 Å²	78	100.4 Å²	100.4	51%	0.506	53%	0.534	S	S	.	.	S	Bend	trans	-53.4	113	167.9	-31.1	40.1	0	0	0	112.8	P224 Y225	P33-P224 HydrophobicContact CB-CB 3.56Å; P33-P224 HydrophobicContact CG-CB 4.01Å; P33-Y225 WeakPolarHBondContact CD-OH 3.29Å
34	T	63.2	Low	63.9	Low	55 Å²	55	92.6 Å²	92.6	34%	0.337	50%	0.498	S	S	.	.			trans	-158.2	160.6	174	77.3	0	0	0	0	112.9	P32 I37 P224	P32-T34 HydrophobicContact CG-CG2 4.2Å; P32-T34 PolarHBondContact O-N 3.32Å; T34-I37 HydrophobicContact CG2-CD1 3.59Å; T34-I37 HydrophobicContact CG2-CG1 4.09Å; T34-I37 WeakPolarHBondContact OG1-CD1 3.37Å; T34-I37 WeakPolarHBondContact OG1-CG1 3.46Å; T34-P224 PolarHBondContact N-O 2.94Å
35	N	60.6	Low	67.1	Low	94 Å²	94	92.5 Å²	92.5	50%	0.503	49%	0.486	S	S	.	.	S	Bend	trans	-91.5	-21.1	173.2	-66.7	-14.8	0	0	0	113.7	R226 H227	N35-R226 PolarHBondContact OD1-NH2 3.08Å; N35-R226 VanDerWaalsContact OD1-NH2 3.16Å; N35-H227 PolarHBondContact OD1-CD2 3.29Å; N35-H227 VanDerWaalsContact OD1-CD2 3.32Å
36	D	63.3	Low	70.2	Confident	154 Å²	154	89.5 Å²	89.5	82%	0.824	46%	0.464	S	S	*	.			trans	-113.1	9.2	-165	-62.4	-41	0	0	0	115	K38	D36-K38 PolarHBondContact O-N 2.79Å; D36-K38 VanDerWaalsContact O-N 3.14Å
37	I	66	Low	73	Confident	61 Å²	61	85.9 Å²	85.9	31%	0.313	45%	0.449	S	S	.	.			trans	-72.1	112.4	178.3	-74	166	0	0	0	110.1	L31 P32 T34 L39	L31-I37 HydrophobicContact CD2-CD1 4.31Å; L31-I37 HydrophobicContact CD2-CG2 4.17Å; P32-I37 HydrophobicContact CG-CD1 3.99Å; T34-I37 HydrophobicContact CG2-CD1 3.59Å; T34-I37 HydrophobicContact CG2-CG1 4.09Å; T34-I37 WeakPolarHBondContact OG1-CD1 3.37Å; T34-I37 WeakPolarHBondContact OG1-CG1 3.46Å; I37-L39 PolarHBondContact O-N 3.38Å
38	K	74	Confident	75.1	Confident	196 Å²	196	81.6 Å²	81.6	85%	0.852	42%	0.42	S	S	*	.			trans	-68.4	125.4	159.5	-73.9	-173	178.3	-177.9	0	109	D36 D40	D36-K38 PolarHBondContact O-N 2.79Å; D36-K38 VanDerWaalsContact O-N 3.14Å; K38-D40 PolarHBondContact O-N 2.52Å; K38-D40 VanDerWaalsContact O-N 3.16Å
39	L	82.3	Confident	77	Confident	33 Å²	33	79 Å²	79	17%	0.173	40%	0.402	C	S	.	.			trans	-65.8	111.5	176.4	176.1	58.6	0	0	0	110.4	I37 R41 F44 Y184 L196 I228 V232	I37-L39 PolarHBondContact O-N 3.38Å; L39-R41 PolarHBondContact O-N 3.38Å; L39-R41 VanDerWaalsContact O-N 3.08Å; L39-F44 HydrophobicContact CD1-CE2 4.18Å; L39-Y184 HydrophobicContact CD2-CD2 4.26Å; L39-Y184 HydrophobicContact CD2-CE2 3.48Å; L39-Y184 VanDerWaalsContact CD2-CE2 3.48Å; L39-L196 HydrophobicContact CD1-CD1 3.58Å; L39-L196 HydrophobicContact CD1-CD2 3.68Å; L39-L196 HydrophobicContact CD1-CG 4.28Å; L39-L196 HydrophobicContact CD2-CD1 4.24Å; L39-I228 HydrophobicContact CB-CD1 4.38Å; L39-I228 HydrophobicContact CD1-CD1 4.16Å; L39-V232 HydrophobicContact CD2-CG2 3.9Å
40	D	85.2	Confident	78.5	Confident	99 Å²	99	77.6 Å²	77.6	53%	0.529	39%	0.387	S	S	.	.			trans	-73.6	99.1	169.7	-177.6	7.3	0	0	0	110.3	K38 S42 Y43	K38-D40 PolarHBondContact O-N 2.52Å; K38-D40 VanDerWaalsContact O-N 3.16Å; D40-S42 PolarHBondContact O-N 2.91Å; D40-S42 WeakPolarHBondContact OD1-CB 3.43Å; D40-S42 PolarHBondContact OD1-N 3.26Å; D40-S42 PolarHBondContact OD1-OG 2.94Å; D40-S42 PolarHBondContact OD2-OG 3.03Å; D40-Y43 WeakPolarHBondContact O-CB 3.14Å; D40-Y43 PolarHBondContact O-N 3.47Å
41	R	88.7	Confident	79.3	Confident	105 Å²	105	74.3 Å²	74.3	40%	0.396	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-64.2	-16.6	178	-66.4	-178.4	176.9	170.2	0.3	113	L39 Y43 F44 Y184 D235	L39-R41 PolarHBondContact O-N 3.38Å; L39-R41 VanDerWaalsContact O-N 3.08Å; R41-Y43 PolarHBondContact O-N 3.31Å; R41-F44 PolarHBondContact O-N 3.02Å; R41-Y184 HydrophobicContact CB-CG 4.22Å; R41-Y184 HydrophobicContact CG-CD1 3.96Å; R41-Y184 HydrophobicContact CG-CD2 4.2Å; R41-Y184 HydrophobicContact CG-CG 3.78Å; R41-D235 IonicContact CZ-OD2 3.45Å; R41-D235 IonicContact NE-OD2 3.69Å; R41-D235 VanDerWaalsContact NH2-CG 3.33Å; R41-D235 IonicContact NH2-OD1 2.94Å; R41-D235 IonicContact NH2-OD2 2.74Å; R41-D235 PolarHBondContact NH2-OD2 2.76Å
42	S	89	Confident	80.5	Confident	58 Å²	58	72.8 Å²	72.8	41%	0.406	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-64	-26.1	177.3	85.7	0	0	0	0	112.5	D40 F44 K45	D40-S42 PolarHBondContact O-N 2.91Å; D40-S42 WeakPolarHBondContact OD1-CB 3.43Å; D40-S42 PolarHBondContact OD1-N 3.26Å; D40-S42 PolarHBondContact OD1-OG 2.94Å; D40-S42 PolarHBondContact OD2-OG 3.03Å; S42-F44 PolarHBondContact O-N 2.9Å; S42-F44 VanDerWaalsContact O-N 3.12Å; S42-K45 WeakPolarHBondContact O-CB 3.29Å; S42-K45 PolarHBondContact O-N 3.48Å
43	Y	88.3	Confident	81.7	Confident	93 Å²	93	69.1 Å²	69.1	37%	0.365	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-55.6	-27.9	174.2	-176.8	-98.5	0	0	0	113.7	D40 R41 R46 E195	D40-Y43 WeakPolarHBondContact O-CB 3.14Å; D40-Y43 PolarHBondContact O-N 3.47Å; R41-Y43 PolarHBondContact O-N 3.31Å; Y43-R46 PolarHBondContact O-NH2 3.13Å; Y43-R46 VanDerWaalsContact O-NH2 3.13Å; Y43-E195 HydrophobicContact CE1-CB 4.36Å
44	F	92.7	Very high	83.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-88.2	-10.5	179.9	-66	-85	0	0	0	113.4	L39 R41 S42 R46 Y184 F187 V192 E195 L196	L39-F44 HydrophobicContact CD1-CE2 4.18Å; R41-F44 PolarHBondContact O-N 3.02Å; S42-F44 PolarHBondContact O-N 2.9Å; S42-F44 VanDerWaalsContact O-N 3.12Å; F44-R46 PolarHBondContact O-N 2.9Å; F44-Y184 AromaticContact CD2-CD2 3.65Å; F44-Y184 HydrophobicContact CD2-CD2 3.65Å; F44-Y184 HydrophobicContact CD2-CG 4.45Å; F44-Y184 AromaticContact CE2-CD2 3.85Å; F44-Y184 HydrophobicContact CE2-CD2 3.85Å; F44-Y184 HydrophobicContact CE2-CE2 4.33Å; F44-Y184 HydrophobicContact CG-CD2 4.11Å; F44-Y184 HydrophobicContact CZ-CD2 4.47Å; F44-F187 HydrophobicContact CB-CD2 4.17Å; F44-F187 HydrophobicContact CB-CE2 3.88Å; F44-F187 HydrophobicContact CB-CZ 4.45Å; F44-F187 AromaticContact CD1-CD1 3.99Å; F44-F187 HydrophobicContact CD1-CD1 3.99Å; F44-F187 AromaticContact CD1-CD2 3.9Å; F44-F187 HydrophobicContact CD1-CD2 3.9Å; F44-F187 HydrophobicContact CD1-CE1 4.02Å; F44-F187 AromaticContact CD1-CE2 3.96Å; F44-F187 HydrophobicContact CD1-CE2 3.96Å; F44-F187 AromaticContact CD1-CG 3.94Å; F44-F187 HydrophobicContact CD1-CG 3.94Å; F44-F187 HydrophobicContact CD1-CZ 4.01Å; F44-F187 HydrophobicContact CE1-CD1 4.39Å; F44-F187 HydrophobicContact CG-CD2 4.41Å; F44-F187 HydrophobicContact CG-CE2 4.41Å; F44-V192 HydrophobicContact CE1-CB 4.32Å; F44-V192 HydrophobicContact CE1-CG1 4.29Å; F44-V192 HydrophobicContact CE1-CG2 4.01Å; F44-V192 HydrophobicContact CE2-CG1 4.43Å; F44-V192 HydrophobicContact CZ-CB 4.29Å; F44-V192 HydrophobicContact CZ-CG1 3.76Å; F44-V192 HydrophobicContact CZ-CG2 4.23Å; F44-E195 HydrophobicContact CE1-CB 4.11Å; F44-E195 WeakPolarHBondContact CE1-OE2 3.34Å; F44-L196 HydrophobicContact CE2-CD2 4.06Å; F44-L196 HydrophobicContact CE2-CG 4.5Å; F44-L196 HydrophobicContact CZ-CD1 4.34Å; F44-L196 HydrophobicContact CZ-CD2 3.84Å; F44-L196 HydrophobicContact CZ-CG 3.92Å
45	K	93.8	Very high	84.7	Confident	140 Å²	140	62.8 Å²	62.8	61%	0.609	30%	0.301	S	S	*	.			trans	-70.4	115.5	-179.5	-68.3	-178.6	-179.7	174.5	0	110.1	S42 V182	S42-K45 WeakPolarHBondContact O-CB 3.29Å; S42-K45 PolarHBondContact O-N 3.48Å; K45-V182 WeakPolarHBondContact CA-O 3.22Å
46	R	91.4	Very high	86.3	Confident	87 Å²	87	60.3 Å²	60.3	33%	0.328	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	150.5	174.8	58.6	-163.4	76.3	159.4	5.9	111	Y43 F44 V48 V182 E195	Y43-R46 PolarHBondContact O-NH2 3.13Å; Y43-R46 VanDerWaalsContact O-NH2 3.13Å; F44-R46 PolarHBondContact O-N 2.9Å; R46-V48 HydrophobicContact CG-CG2 4.03Å; R46-V182 HydrophobicContact CG-CG2 3.57Å; R46-V182 PolarHBondContact N-O 3.36Å; R46-V182 WeakPolarHBondContact O-CG2 3.12Å; R46-V182 PolarHBondContact O-N 2.91Å; R46-E195 IonicContact CZ-OE1 2.76Å; R46-E195 IonicContact CZ-OE2 3.02Å; R46-E195 IonicContact NH1-OE1 3.01Å; R46-E195 PolarHBondContact NH1-OE1 3.21Å; R46-E195 IonicContact NH1-OE2 3.68Å; R46-E195 PolarHBondContact NH1-OE2 2.91Å; R46-E195 IonicContact NH2-OE1 2.87Å; R46-E195 IonicContact NH2-OE2 2.69Å; R46-E195 PolarHBondContact NH2-OE2 3.41Å
47	K	88.6	Confident	87.6	Confident	116 Å²	116	55.2 Å²	55.2	50%	0.504	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.3	167.3	-71.4	-169.1	173.7	-167	0	108.1	D131 I180	K47-D131 IonicContact NZ-OD1 2.7Å; K47-D131 PolarHBondContact NZ-OD1 3.21Å; K47-D131 IonicContact NZ-OD2 3.77Å; K47-D131 PolarHBondContact NZ-OD2 2.83Å; K47-I180 CarbonylContact C-O 3.59Å; K47-I180 WeakPolarHBondContact CA-O 3.47Å
48	V	87.3	Confident	88.9	Confident	14 Å²	14	55.2 Å²	55.2	9%	0.085	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.8	178.3	-178.5	0	0	0	0	108.6	R46 M50 F75 I180 V182	R46-V48 HydrophobicContact CG-CG2 4.03Å; V48-M50 HydrophobicContact CB-CE 4.03Å; V48-M50 HydrophobicContact CG1-CE 3.78Å; V48-M50 HydrophobicContact CG1-CG 4.14Å; V48-M50 PolarHBondContact O-N 3.49Å; V48-F75 HydrophobicContact CB-CE2 4.23Å; V48-F75 HydrophobicContact CG1-CE2 4.09Å; V48-F75 HydrophobicContact CG2-CE2 3.78Å; V48-F75 HydrophobicContact CG2-CZ 3.89Å; V48-I180 PolarHBondContact N-O 3.46Å; V48-I180 PolarHBondContact O-N 3.08Å; V48-V182 HydrophobicContact CG2-CG1 4.44Å; V48-V182 HydrophobicContact CG2-CG2 3.71Å
49	P	84.7	Confident	89.7	Confident	64 Å²	64	54.9 Å²	54.9	42%	0.416	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	126.9	173.9	29.4	-33.1	0	0	0	109.4
50	M	87.7	Confident	89.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	166.3	176.2	-59.6	-164.4	-161.8	0	0	109.7	V48 C73 F75 L78 L97 V98 L177 V178 I180	V48-M50 HydrophobicContact CB-CE 4.03Å; V48-M50 HydrophobicContact CG1-CE 3.78Å; V48-M50 HydrophobicContact CG1-CG 4.14Å; V48-M50 PolarHBondContact O-N 3.49Å; M50-C73 WeakPolarHBondContact CE-SG 3.2Å; M50-C73 HydrophobicContact SD-CB 4.25Å; M50-C73 VanDerWaalsContact SD-SG 3.66Å; M50-F75 HydrophobicContact CE-CD2 3.59Å; M50-F75 HydrophobicContact CE-CE2 3.84Å; M50-L78 HydrophobicContact CE-CD1 4.37Å; M50-L97 HydrophobicContact CB-CD1 3.54Å; M50-L97 HydrophobicContact CB-CG 4.29Å; M50-L97 HydrophobicContact CG-CD1 4.42Å; M50-L97 HydrophobicContact SD-CD1 4.05Å; M50-L97 HydrophobicContact SD-CD2 3.75Å; M50-L97 HydrophobicContact SD-CG 3.83Å; M50-V98 WeakPolarHBondContact CA-O 3.43Å; M50-V98 WeakPolarHBondContact CB-O 3.35Å; M50-L177 VanDerWaalsContact O-CD1 3.31Å; M50-L177 WeakPolarHBondContact O-CD1 3.4Å; M50-V178 HydrophobicContact CB-CG2 3.93Å; M50-V178 PolarHBondContact N-O 2.85Å; M50-V178 PolarHBondContact O-N 3.27Å; M50-I180 HydrophobicContact CB-CD1 4.42Å; M50-I180 HydrophobicContact CB-CG1 4.47Å; M50-I180 HydrophobicContact CE-CB 4.22Å; M50-I180 HydrophobicContact CE-CD1 4.12Å; M50-I180 HydrophobicContact CE-CG1 4.44Å; M50-I180 HydrophobicContact CG-CD1 4.29Å; M50-I180 HydrophobicContact CG-CG1 4.34Å; M50-I180 HydrophobicContact SD-CD1 3.57Å; M50-I180 VanDerWaalsContact SD-CD1 3.57Å; M50-I180 HydrophobicContact SD-CG1 4.17Å
51	I	87.6	Confident	90.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.8	-177.8	-175.1	165.5	0	0	0	109.6	V53 V98 M100 F109 L120 P121 Y124 L177	I51-V53 HydrophobicContact CD1-CG1 4.49Å; I51-V53 HydrophobicContact CG1-CG1 4.1Å; I51-V53 HydrophobicContact CG2-CG1 4.11Å; I51-V98 HydrophobicContact CG2-CG2 3.44Å; I51-V98 VanDerWaalsContact CG2-CG2 3.44Å; I51-V98 PolarHBondContact N-O 3.36Å; I51-V98 PolarHBondContact O-N 3.25Å; I51-M100 HydrophobicContact CB-CG 4.38Å; I51-M100 HydrophobicContact CB-SD 3.96Å; I51-M100 HydrophobicContact CD1-SD 4.27Å; I51-M100 HydrophobicContact CG2-CG 4.21Å; I51-M100 HydrophobicContact CG2-SD 3.71Å; I51-F109 HydrophobicContact CG2-CE1 4.42Å; I51-L120 HydrophobicContact CD1-CD2 3.95Å; I51-P121 HydrophobicContact CD1-CG 3.74Å; I51-P121 HydrophobicContact CG1-CG 3.99Å; I51-Y124 HydrophobicContact CD1-CD2 4.16Å; I51-Y124 HydrophobicContact CD1-CE2 3.82Å; I51-L177 HydrophobicContact CB-CD1 4.34Å
52	F	89.5	Confident	90.1	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.9	163.7	-81.3	-78.3	0	0	0	108.6	I81 L95 M96 L97 L132 V172 P175 C176 V178	F52-I81 HydrophobicContact CE1-CB 3.86Å; F52-I81 HydrophobicContact CE1-CD1 4.23Å; F52-I81 HydrophobicContact CE1-CG2 3.8Å; F52-I81 HydrophobicContact CE2-CD1 3.93Å; F52-I81 HydrophobicContact CZ-CB 3.88Å; F52-I81 HydrophobicContact CZ-CD1 3.37Å; F52-I81 HydrophobicContact CZ-CG1 4.18Å; F52-I81 HydrophobicContact CZ-CG2 4.07Å; F52-L95 HydrophobicContact CB-CD2 4.37Å; F52-L95 HydrophobicContact CD1-CB 4.17Å; F52-M96 WeakPolarHBondContact CA-O 3.41Å; F52-L97 HydrophobicContact CD1-CB 4.15Å; F52-L97 HydrophobicContact CD1-CD1 4.43Å; F52-L97 HydrophobicContact CD2-CD1 3.98Å; F52-L97 HydrophobicContact CE1-CB 3.69Å; F52-L97 HydrophobicContact CE1-CD1 4.2Å; F52-L97 HydrophobicContact CE1-CG 4.46Å; F52-L97 HydrophobicContact CE2-CD1 3.72Å; F52-L97 HydrophobicContact CG-CD1 4.33Å; F52-L97 HydrophobicContact CZ-CB 3.96Å; F52-L97 HydrophobicContact CZ-CD1 3.81Å; F52-L97 HydrophobicContact CZ-CD2 4.36Å; F52-L97 HydrophobicContact CZ-CG 4.27Å; F52-L132 HydrophobicContact CE2-CD1 4.17Å; F52-V172 HydrophobicContact CB-CG1 4.18Å; F52-V172 HydrophobicContact CD1-CG1 4.04Å; F52-V172 HydrophobicContact CD2-CG1 3.53Å; F52-V172 HydrophobicContact CD2-CG2 4.24Å; F52-V172 HydrophobicContact CE1-CG1 4.34Å; F52-V172 HydrophobicContact CE2-CB 4.49Å; F52-V172 HydrophobicContact CE2-CG1 3.86Å; F52-V172 HydrophobicContact CE2-CG2 3.97Å; F52-V172 HydrophobicContact CG-CG1 3.64Å; F52-V172 HydrophobicContact CZ-CG1 4.27Å; F52-P175 CarbonylContact O-C 3.52Å; F52-P175 WeakPolarHBondContact O-CA 3.34Å; F52-P175 VanDerWaalsContact O-CB 3.24Å; F52-P175 WeakPolarHBondContact O-CB 3.31Å; F52-C176 PolarHBondContact N-O 2.94Å; F52-C176 PolarHBondContact O-N 2.89Å; F52-V178 HydrophobicContact CD2-CG1 3.74Å; F52-V178 HydrophobicContact CD2-CG2 4.04Å; F52-V178 HydrophobicContact CE2-CG1 3.97Å; F52-V178 HydrophobicContact CE2-CG2 3.99Å
53	V	91.4	Very high	90.2	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152.4	175.9	-60.1	0	0	0	0	110.7	I51 V55 L68 L95 M96 V98 L113 V118 D119 L120	I51-V53 HydrophobicContact CD1-CG1 4.49Å; I51-V53 HydrophobicContact CG1-CG1 4.1Å; I51-V53 HydrophobicContact CG2-CG1 4.11Å; V53-V55 HydrophobicContact CG2-CG2 4.45Å; V53-L68 HydrophobicContact CG2-CD1 4.33Å; V53-L95 WeakPolarHBondContact O-CA 3.33Å; V53-M96 HydrophobicContact CG2-CB 4.24Å; V53-M96 WeakPolarHBondContact CG2-O 3.5Å; V53-M96 PolarHBondContact N-O 3.49Å; V53-M96 PolarHBondContact O-N 2.93Å; V53-V98 HydrophobicContact CG1-CG2 3.89Å; V53-V98 HydrophobicContact CG2-CG1 4.2Å; V53-V98 HydrophobicContact CG2-CG2 4.09Å; V53-L113 HydrophobicContact CG1-CD1 4.16Å; V53-V118 HydrophobicContact CB-CG1 3.58Å; V53-V118 HydrophobicContact CG1-CG1 4.35Å; V53-V118 HydrophobicContact CG2-CG1 3.7Å; V53-D119 WeakPolarHBondContact CA-O 3.47Å; V53-L120 HydrophobicContact CG1-CD2 4.14Å
54	G	92.7	Very high	90.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	102.1	-177.9	0	0	0	0	0	113.2	Y85 R93 D119	G54-Y85 WeakPolarHBondContact CA-OH 3.06Å; G54-R93 PolarHBondContact O-NH1 3.46Å; G54-R93 VanDerWaalsContact O-NH1 3.08Å; G54-D119 PolarHBondContact N-O 3.42Å; G54-D119 WeakPolarHBondContact O-CB 3.3Å; G54-D119 PolarHBondContact O-N 2.95Å
55	V	93.5	Very high	90	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.3	178.8	-169.8	0	0	0	0	110	V53 C57 L61 L68 R93 K94 M96 V118	V53-V55 HydrophobicContact CG2-CG2 4.45Å; V55-C57 PolarHBondContact O-N 3Å; V55-L61 HydrophobicContact CB-CD1 4.25Å; V55-L61 HydrophobicContact CG1-CD1 3.63Å; V55-L68 HydrophobicContact CG2-CD1 3.49Å; V55-L68 VanDerWaalsContact CG2-CD1 3.49Å; V55-R93 CarbonylContact O-C 3.45Å; V55-R93 VanDerWaalsContact O-CA 3.26Å; V55-R93 WeakPolarHBondContact O-CA 3.18Å; V55-K94 PolarHBondContact N-O 3.32Å; V55-K94 PolarHBondContact O-N 3.44Å; V55-M96 HydrophobicContact CG2-CB 4.15Å; V55-M96 HydrophobicContact CG2-CG 3.78Å; V55-V118 HydrophobicContact CG2-CG1 4.49Å
56	Q	93.8	Very high	89.9	Confident	42 Å²	42	55.3 Å²	55.3	20%	0.196	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	133.4	-179.4	-169.1	169.1	3.8	0	0	112.4	D58 S91 N117	Q56-D58 VanDerWaalsContact C-N 3.35Å; Q56-D58 HydrophobicContact CG-CB 4.25Å; Q56-D58 PolarHBondContact O-N 3.5Å; Q56-D58 VanDerWaalsContact O-N 3.15Å; Q56-S91 PolarHBondContact NE2-OG 3.46Å; Q56-N117 PolarHBondContact OE1-ND2 2.98Å
57	C	92.3	Very high	89.9	Confident	46 Å²	46	55.3 Å²	55.3	31%	0.311	27%	0.273	S	S	.	.			trans	-85.7	74.5	177.2	-62.3	0	0	0	0	110.4	V55 L92	V55-C57 PolarHBondContact O-N 3Å; C57-L92 HydrophobicContact CB-CB 4.23Å; C57-L92 HydrophobicContact CB-CD2 4.07Å; C57-L92 HydrophobicContact CB-CG 4.13Å; C57-L92 WeakPolarHBondContact CB-O 3.28Å; C57-L92 PolarHBondContact N-O 3.3Å
58	D	91.5	Very high	89.9	Confident	61 Å²	61	49.8 Å²	49.8	33%	0.326	25%	0.249	S	C	.	.	S	Bend	trans	-128.9	-169.1	178.8	71.7	0.9	0	0	0	112.1	Q56 H60 L61	Q56-D58 VanDerWaalsContact C-N 3.35Å; Q56-D58 HydrophobicContact CG-CB 4.25Å; Q56-D58 PolarHBondContact O-N 3.5Å; Q56-D58 VanDerWaalsContact O-N 3.15Å; D58-H60 PolarHBondContact O-N 2.65Å; D58-H60 VanDerWaalsContact OD1-CA 3.31Å; D58-H60 WeakPolarHBondContact OD1-CA 3.08Å; D58-H60 WeakPolarHBondContact OD1-CB 3.37Å; D58-H60 PolarHBondContact OD1-N 3.45Å; D58-H60 IonicContact OD2-CD2 2.72Å; D58-L61 WeakPolarHBondContact O-CB 3.24Å; D58-L61 PolarHBondContact O-N 2.86Å; D58-L61 PolarHBondContact OD1-N 3.5Å; D58-L61 VanDerWaalsContact OD1-N 3.12Å
59	K	91.1	Very high	89.9	Confident	190 Å²	190	56.5 Å²	56.5	83%	0.826	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.3	176.8	67.2	-175.2	-179.7	-176.5	0	114
60	H	87.9	Confident	90.1	Very high	91 Å²	91	58.6 Å²	58.6	42%	0.421	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-3.4	-179.1	-59.5	-64.2	0	0	0	113.4	D58 K62 T63 S64	D58-H60 PolarHBondContact O-N 2.65Å; D58-H60 VanDerWaalsContact OD1-CA 3.31Å; D58-H60 WeakPolarHBondContact OD1-CA 3.08Å; D58-H60 WeakPolarHBondContact OD1-CB 3.37Å; D58-H60 PolarHBondContact OD1-N 3.45Å; D58-H60 IonicContact OD2-CD2 2.72Å; H60-K62 PolarHBondContact O-N 3.18Å; H60-K62 VanDerWaalsContact O-N 3.08Å; H60-T63 WeakPolarHBondContact O-CA 3.29Å; H60-T63 WeakPolarHBondContact O-CB 3.45Å; H60-T63 PolarHBondContact O-N 2.69Å; H60-S64 PolarHBondContact O-N 2.87Å; H60-S64 PolarHBondContact O-OG 2.84Å
61	L	87.9	Confident	90.1	Very high	46 Å²	46	60.8 Å²	60.8	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-45.1	-46.3	-179.2	176	61.7	0	0	0	113.3	V55 D58 T63 S64 L65	V55-L61 HydrophobicContact CB-CD1 4.25Å; V55-L61 HydrophobicContact CG1-CD1 3.63Å; D58-L61 WeakPolarHBondContact O-CB 3.24Å; D58-L61 PolarHBondContact O-N 2.86Å; D58-L61 PolarHBondContact OD1-N 3.5Å; D58-L61 VanDerWaalsContact OD1-N 3.12Å; L61-T63 PolarHBondContact O-N 3.37Å; L61-S64 PolarHBondContact O-N 2.83Å; L61-L65 HydrophobicContact CD1-CD1 4.1Å; L61-L65 HydrophobicContact CD1-CG 4.13Å; L61-L65 HydrophobicContact CG-CD1 4.11Å; L61-L65 VanDerWaalsContact O-CG 3.28Å; L61-L65 WeakPolarHBondContact O-CG 3.45Å; L61-L65 PolarHBondContact O-N 2.9Å
62	K	89.5	Confident	90.1	Very high	162 Å²	162	64.3 Å²	64.3	70%	0.704	31%	0.311	S	S	*	.	H	α-helix	trans	-62.2	-44.5	179.1	-172	178.3	-178.9	-178.6	0	112.1	H60 S64 L65 E66	H60-K62 PolarHBondContact O-N 3.18Å; H60-K62 VanDerWaalsContact O-N 3.08Å; K62-S64 VanDerWaalsContact C-N 3.35Å; K62-L65 PolarHBondContact O-N 2.88Å; K62-E66 PolarHBondContact O-N 3.37Å
63	T	90.3	Very high	89.8	Confident	81 Å²	81	65.6 Å²	65.6	50%	0.497	32%	0.32	S	S	.	.	H	α-helix	trans	-63.9	-41.3	177.1	-53.8	0	0	0	0	111.1	H60 L61 E66 K67	H60-T63 WeakPolarHBondContact O-CA 3.29Å; H60-T63 WeakPolarHBondContact O-CB 3.45Å; H60-T63 PolarHBondContact O-N 2.69Å; L61-T63 PolarHBondContact O-N 3.37Å; T63-E66 PolarHBondContact O-N 2.84Å; T63-K67 WeakPolarHBondContact O-CG 3.48Å; T63-K67 PolarHBondContact O-N 2.83Å
64	S	89.3	Confident	89.6	Confident	17 Å²	17	68 Å²	68	12%	0.119	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-38.8	175.9	-57.6	0	0	0	0	112.1	H60 L61 K62 K67 L68	H60-S64 PolarHBondContact O-N 2.87Å; H60-S64 PolarHBondContact O-OG 2.84Å; L61-S64 PolarHBondContact O-N 2.83Å; K62-S64 VanDerWaalsContact C-N 3.35Å; S64-K67 PolarHBondContact O-N 3.42Å; S64-L68 WeakPolarHBondContact O-CG 3.26Å; S64-L68 PolarHBondContact O-N 2.89Å; S64-L68 VanDerWaalsContact O-N 3.16Å
65	L	89.5	Confident	89.4	Confident	41 Å²	41	69.3 Å²	69.3	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-66.7	-39.2	175.9	-71.3	173.7	0	0	0	112.8	L61 K62 K67 L68 R69 F72 M96	L61-L65 HydrophobicContact CD1-CD1 4.1Å; L61-L65 HydrophobicContact CD1-CG 4.13Å; L61-L65 HydrophobicContact CG-CD1 4.11Å; L61-L65 VanDerWaalsContact O-CG 3.28Å; L61-L65 WeakPolarHBondContact O-CG 3.45Å; L61-L65 PolarHBondContact O-N 2.9Å; K62-L65 PolarHBondContact O-N 2.88Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 2.87Å; L65-L68 PolarHBondContact O-N 3.15Å; L65-R69 PolarHBondContact O-N 3.25Å; L65-F72 HydrophobicContact CB-CZ 4.48Å; L65-F72 HydrophobicContact CD2-CZ 4.31Å; L65-F72 WeakPolarHBondContact O-CZ 3.3Å; L65-M96 HydrophobicContact CD2-CE 3.78Å; L65-M96 HydrophobicContact CD2-CG 4.09Å; L65-M96 HydrophobicContact CD2-SD 4.08Å
66	E	90.9	Very high	89.3	Confident	99 Å²	99	72.1 Å²	72.1	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-65.1	-34.9	175	-69.4	-57.8	147.9	0	0	112.1	K62 T63 L68 R69	K62-E66 PolarHBondContact O-N 3.37Å; T63-E66 PolarHBondContact O-N 2.84Å; E66-L68 VanDerWaalsContact C-N 3.32Å; E66-L68 PolarHBondContact O-N 2.85Å; E66-R69 WeakPolarHBondContact O-CB 3.47Å; E66-R69 PolarHBondContact O-N 2.81Å; E66-R69 IonicContact OE1-NH1 3.65Å; E66-R69 WeakPolarHBondContact OE2-CD 3.45Å; E66-R69 IonicContact OE2-NH1 3.19Å; E66-R69 PolarHBondContact OE2-NH1 2.77Å; E66-R69 VanDerWaalsContact OE2-NH1 3.12Å
67	K	90.1	Very high	88.8	Confident	87 Å²	87	76.7 Å²	76.7	38%	0.378	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-34.8	173.8	-69.7	175.3	174.5	-171.7	0	112.7	T63 S64 L65 R69 P70 W116	T63-K67 WeakPolarHBondContact O-CG 3.48Å; T63-K67 PolarHBondContact O-N 2.83Å; S64-K67 PolarHBondContact O-N 3.42Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 2.87Å; K67-R69 VanDerWaalsContact C-N 3.34Å; K67-P70 WeakPolarHBondContact O-CD 3.42Å; K67-W116 HydrophobicContact CB-CD2 4.04Å; K67-W116 HydrophobicContact CB-CE3 3.8Å; K67-W116 HydrophobicContact CB-CH2 4.06Å; K67-W116 HydrophobicContact CB-CZ2 4.29Å; K67-W116 HydrophobicContact CB-CZ3 3.81Å; K67-W116 HydrophobicContact CD-CD2 3.71Å; K67-W116 HydrophobicContact CD-CE3 4.3Å; K67-W116 HydrophobicContact CD-CG 3.77Å; K67-W116 HydrophobicContact CD-CZ2 4.45Å; K67-W116 HydrophobicContact CG-CD2 4.43Å
68	L	88.8	Confident	88.3	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-80.2	-14.9	177.9	-70	175.5	0	0	0	113.9	V53 V55 S64 L65 E66 P70 F71 F72 L113 W116 V118	V53-L68 HydrophobicContact CG2-CD1 4.33Å; V55-L68 HydrophobicContact CG2-CD1 3.49Å; V55-L68 VanDerWaalsContact CG2-CD1 3.49Å; S64-L68 WeakPolarHBondContact O-CG 3.26Å; S64-L68 PolarHBondContact O-N 2.89Å; S64-L68 VanDerWaalsContact O-N 3.16Å; L65-L68 PolarHBondContact O-N 3.15Å; E66-L68 VanDerWaalsContact C-N 3.32Å; E66-L68 PolarHBondContact O-N 2.85Å; L68-P70 VanDerWaalsContact C-N 3.32Å; L68-P70 VanDerWaalsContact O-N 3.16Å; L68-F71 WeakPolarHBondContact O-CA 3.36Å; L68-F71 PolarHBondContact O-N 3.34Å; L68-F72 HydrophobicContact CB-CD1 4.33Å; L68-F72 HydrophobicContact CB-CE1 3.62Å; L68-F72 HydrophobicContact CB-CZ 4.31Å; L68-F72 WeakPolarHBondContact O-CD1 3.44Å; L68-F72 PolarHBondContact O-N 3.08Å; L68-L113 HydrophobicContact CD2-CD2 3.37Å; L68-W116 HydrophobicContact CD2-CE3 4.41Å; L68-W116 HydrophobicContact CD2-CZ3 4.31Å; L68-V118 HydrophobicContact CD1-CG2 4.4Å
69	R	89	Confident	87.4	Confident	155 Å²	155	74.6 Å²	74.6	59%	0.585	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-49.3	-40.6	-175.6	-172.7	-179.5	-178.7	142.3	1.7	114.9	L65 E66 K67 F71 F72	L65-R69 PolarHBondContact O-N 3.25Å; E66-R69 WeakPolarHBondContact O-CB 3.47Å; E66-R69 PolarHBondContact O-N 2.81Å; E66-R69 IonicContact OE1-NH1 3.65Å; E66-R69 WeakPolarHBondContact OE2-CD 3.45Å; E66-R69 IonicContact OE2-NH1 3.19Å; E66-R69 PolarHBondContact OE2-NH1 2.77Å; E66-R69 VanDerWaalsContact OE2-NH1 3.12Å; K67-R69 VanDerWaalsContact C-N 3.34Å; R69-F71 PolarHBondContact O-N 2.92Å; R69-F72 HydrophobicContact CB-CD2 4.32Å; R69-F72 HydrophobicContact CB-CE2 4.16Å; R69-F72 HydrophobicContact CG-CD2 4.17Å; R69-F72 HydrophobicContact CG-CE2 4.28Å; R69-F72 WeakPolarHBondContact O-CB 3.31Å; R69-F72 PolarHBondContact O-N 2.69Å; R69-F72 VanDerWaalsContact O-N 3.16Å
70	P	87.6	Confident	86.4	Confident	107 Å²	107	74.5 Å²	74.5	70%	0.695	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-62.9	-21.4	177.3	-23	35.8	0	0	0	114.3	K67 L68	K67-P70 WeakPolarHBondContact O-CD 3.42Å; L68-P70 VanDerWaalsContact C-N 3.32Å; L68-P70 VanDerWaalsContact O-N 3.16Å
71	F	87.7	Confident	85.7	Confident	46 Å²	46	71.3 Å²	71.3	20%	0.202	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-102.1	5	-180	-52.1	-80	0	0	0	112.3	L68 R69 V98 Q99 P101 F109	L68-F71 WeakPolarHBondContact O-CA 3.36Å; L68-F71 PolarHBondContact O-N 3.34Å; R69-F71 PolarHBondContact O-N 2.92Å; F71-V98 HydrophobicContact CB-CB 4.04Å; F71-V98 CarbonylContact O-C 3.59Å; F71-V98 VanDerWaalsContact O-CA 3.3Å; F71-V98 WeakPolarHBondContact O-CA 3.46Å; F71-V98 WeakPolarHBondContact O-CB 3.33Å; F71-Q99 PolarHBondContact O-N 2.79Å; F71-P101 HydrophobicContact CE1-CB 4.45Å; F71-F109 HydrophobicContact CB-CE2 4.33Å; F71-F109 AromaticContact CD1-CD2 3.89Å; F71-F109 HydrophobicContact CD1-CD2 3.89Å; F71-F109 AromaticContact CD1-CE2 3.67Å; F71-F109 HydrophobicContact CD1-CE2 3.67Å; F71-F109 HydrophobicContact CD2-CD2 4.31Å; F71-F109 AromaticContact CD2-CE2 3.88Å; F71-F109 HydrophobicContact CD2-CE2 3.88Å; F71-F109 AromaticContact CE1-CD2 3.56Å; F71-F109 HydrophobicContact CE1-CD2 3.56Å; F71-F109 AromaticContact CE1-CE2 3.85Å; F71-F109 HydrophobicContact CE1-CE2 3.85Å; F71-F109 HydrophobicContact CE2-CD2 4.01Å; F71-F109 HydrophobicContact CE2-CE2 4.05Å; F71-F109 HydrophobicContact CG-CD2 4.25Å; F71-F109 AromaticContact CG-CE2 3.69Å; F71-F109 HydrophobicContact CG-CE2 3.69Å; F71-F109 AromaticContact CZ-CD2 3.63Å; F71-F109 HydrophobicContact CZ-CD2 3.63Å; F71-F109 HydrophobicContact CZ-CE2 4.04Å
72	F	88.2	Confident	85	Confident	75 Å²	75	73.1 Å²	73.1	33%	0.329	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-64.2	144.3	176.9	-73.5	-8.2	0	0	0	111.2	L65 L68 R69 P74 M96 V98	L65-F72 HydrophobicContact CB-CZ 4.48Å; L65-F72 HydrophobicContact CD2-CZ 4.31Å; L65-F72 WeakPolarHBondContact O-CZ 3.3Å; L68-F72 HydrophobicContact CB-CD1 4.33Å; L68-F72 HydrophobicContact CB-CE1 3.62Å; L68-F72 HydrophobicContact CB-CZ 4.31Å; L68-F72 WeakPolarHBondContact O-CD1 3.44Å; L68-F72 PolarHBondContact O-N 3.08Å; R69-F72 HydrophobicContact CB-CD2 4.32Å; R69-F72 HydrophobicContact CB-CE2 4.16Å; R69-F72 HydrophobicContact CG-CD2 4.17Å; R69-F72 HydrophobicContact CG-CE2 4.28Å; R69-F72 WeakPolarHBondContact O-CB 3.31Å; R69-F72 PolarHBondContact O-N 2.69Å; R69-F72 VanDerWaalsContact O-N 3.16Å; F72-P74 WeakPolarHBondContact O-CD 3.14Å; F72-M96 HydrophobicContact CE1-CE 4.25Å; F72-M96 HydrophobicContact CZ-CE 4.4Å; F72-V98 HydrophobicContact CD1-CG1 4.31Å
73	C	83.4	Confident	84.8	Confident	31 Å²	31	67.7 Å²	67.7	21%	0.209	34%	0.337	C	S	.	.			trans	-58.2	122.5	-179.4	-172.7	0	0	0	0	110.6	M50 F75 L78	M50-C73 WeakPolarHBondContact CE-SG 3.2Å; M50-C73 HydrophobicContact SD-CB 4.25Å; M50-C73 VanDerWaalsContact SD-SG 3.66Å; C73-F75 PolarHBondContact O-N 3.16Å; C73-F75 VanDerWaalsContact SG-CD2 3.58Å; C73-L78 HydrophobicContact CB-CD1 4.29Å; C73-L78 WeakPolarHBondContact SG-CD1 3.37Å
74	P	86	Confident	84.8	Confident	51 Å²	51	67.7 Å²	67.7	33%	0.331	34%	0.337	S	S	.	.			trans	-78.3	-10.6	-178.5	33.3	-37.3	0	0	0	112.5	F72 Q99 Q191	F72-P74 WeakPolarHBondContact O-CD 3.14Å; P74-Q99 VanDerWaalsContact CD-OE1 3.27Å; P74-Q191 PolarHBondContact O-NE2 3.06Å
75	F	90.1	Very high	84.9	Confident	27 Å²	27	68.3 Å²	68.3	12%	0.118	34%	0.337	C	S	.	.			trans	-83.4	147.2	-176.8	-58	-66.6	0	0	0	112.5	V48 M50 C73 L78 V182 N186 F187	V48-F75 HydrophobicContact CB-CE2 4.23Å; V48-F75 HydrophobicContact CG1-CE2 4.09Å; V48-F75 HydrophobicContact CG2-CE2 3.78Å; V48-F75 HydrophobicContact CG2-CZ 3.89Å; M50-F75 HydrophobicContact CE-CD2 3.59Å; M50-F75 HydrophobicContact CE-CE2 3.84Å; C73-F75 PolarHBondContact O-N 3.16Å; C73-F75 VanDerWaalsContact SG-CD2 3.58Å; F75-L78 HydrophobicContact CB-CD1 4.01Å; F75-L78 HydrophobicContact CB-CD2 4.41Å; F75-L78 HydrophobicContact CB-CG 4.1Å; F75-V182 HydrophobicContact CD1-CB 4.48Å; F75-V182 HydrophobicContact CD1-CG1 4.38Å; F75-V182 HydrophobicContact CD2-CG1 3.86Å; F75-V182 HydrophobicContact CE1-CG2 4.09Å; F75-V182 HydrophobicContact CE2-CG1 4.12Å; F75-V182 HydrophobicContact CE2-CG2 4.41Å; F75-V182 HydrophobicContact CG-CG1 4.02Å; F75-V182 HydrophobicContact CZ-CG1 4.48Å; F75-V182 HydrophobicContact CZ-CG2 4.02Å; F75-N186 CarbonylContact C-O 3.5Å; F75-N186 VanDerWaalsContact CA-O 3.26Å; F75-N186 WeakPolarHBondContact CA-O 3.44Å; F75-N186 HydrophobicContact CB-CB 4.15Å; F75-N186 WeakPolarHBondContact CB-O 3.36Å; F75-N186 HydrophobicContact CD1-CB 4.39Å; F75-F187 HydrophobicContact CD1-CD1 4.49Å; F75-F187 HydrophobicContact CD1-CD2 4.31Å; F75-F187 HydrophobicContact CD1-CE1 4.45Å; F75-F187 HydrophobicContact CD1-CE2 4.25Å; F75-F187 HydrophobicContact CD1-CG 4.43Å; F75-F187 HydrophobicContact CD1-CZ 4.33Å; F75-F187 HydrophobicContact CE1-CD1 4.08Å; F75-F187 HydrophobicContact CE1-CD2 4.26Å; F75-F187 AromaticContact CE1-CE1 3.65Å; F75-F187 HydrophobicContact CE1-CE1 3.65Å; F75-F187 AromaticContact CE1-CE2 3.83Å; F75-F187 HydrophobicContact CE1-CE2 3.83Å; F75-F187 HydrophobicContact CE1-CG 4.38Å; F75-F187 AromaticContact CE1-CZ 3.51Å; F75-F187 HydrophobicContact CE1-CZ 3.51Å; F75-F187 HydrophobicContact CZ-CZ 4.32Å
76	I	89.8	Confident	85	Confident	59 Å²	59	75.4 Å²	75.4	30%	0.303	36%	0.361	S	S	.	.	S	Bend	trans	-98.3	166.9	175.1	59.4	165.7	0	0	0	111.3	L78 N186 T188	I76-L78 PolarHBondContact O-N 2.98Å; I76-L78 VanDerWaalsContact O-N 3.09Å; I76-N186 VanDerWaalsContact CG1-O 3.3Å; I76-N186 WeakPolarHBondContact CG1-O 3.41Å; I76-N186 PolarHBondContact N-O 3.18Å; I76-N186 VanDerWaalsContact O-CA 3.31Å; I76-N186 WeakPolarHBondContact O-CA 3.22Å; I76-N186 PolarHBondContact O-ND2 3.23Å; I76-N186 VanDerWaalsContact O-ND2 3.08Å; I76-T188 HydrophobicContact CG2-CG2 3.72Å
77	R	84.7	Confident	84.9	Confident	138 Å²	138	71.2 Å²	71.2	52%	0.521	34%	0.341	S	S	.	.	S	Bend	trans	54.6	30.3	175.6	-54.2	179	-174.6	172.3	2.7	113.3	N186	R77-N186 PolarHBondContact O-ND2 3.26Å
78	L	81.7	Confident	84.7	Confident	28 Å²	28	72.2 Å²	72.2	15%	0.147	36%	0.357	C	S	.	.			trans	-78.9	152.8	169.3	-68	-174.7	0	0	0	110.8	M50 C73 F75 I76 K80 L97 V134 I180 V182	M50-L78 HydrophobicContact CE-CD1 4.37Å; C73-L78 HydrophobicContact CB-CD1 4.29Å; C73-L78 WeakPolarHBondContact SG-CD1 3.37Å; F75-L78 HydrophobicContact CB-CD1 4.01Å; F75-L78 HydrophobicContact CB-CD2 4.41Å; F75-L78 HydrophobicContact CB-CG 4.1Å; I76-L78 PolarHBondContact O-N 2.98Å; I76-L78 VanDerWaalsContact O-N 3.09Å; L78-K80 PolarHBondContact O-N 3.28Å; L78-L97 HydrophobicContact CD1-CD2 4.3Å; L78-V134 HydrophobicContact CD2-CG2 4.08Å; L78-I180 HydrophobicContact CD1-CD1 4.47Å; L78-I180 HydrophobicContact CD2-CG2 3.87Å; L78-V182 HydrophobicContact CD2-CG1 4.31Å
79	P	71.5	Confident	84.7	Confident	35 Å²	35	78.9 Å²	78.9	23%	0.227	39%	0.393	C	S	.	.			trans	-52.3	124.3	171.3	-25.6	34.4	0	0	0	111	I81 L168	P79-I81 PolarHBondContact O-N 3.47Å; P79-I81 VanDerWaalsContact O-N 3.11Å; P79-L168 HydrophobicContact CB-CD1 4.16Å; P79-L168 HydrophobicContact CB-CD2 4.04Å; P79-L168 HydrophobicContact CG-CD1 3.88Å; P79-L168 HydrophobicContact CG-CD2 4.05Å
80	K	70.5	Confident	84.6	Confident	188 Å²	188	73.5 Å²	73.5	82%	0.817	39%	0.385	S	S	*	.			trans	-78.7	95.3	177.7	-73.1	-176	-178.1	175.8	0	109.3	L78	L78-K80 PolarHBondContact O-N 3.28Å
81	I	73	Confident	84.8	Confident	24 Å²	24	70 Å²	70	12%	0.123	36%	0.363	C	S	.	.			trans	-89.7	108.7	170.7	-66.1	165.3	0	0	0	108.2	F52 P79 L168 V172	F52-I81 HydrophobicContact CE1-CB 3.86Å; F52-I81 HydrophobicContact CE1-CD1 4.23Å; F52-I81 HydrophobicContact CE1-CG2 3.8Å; F52-I81 HydrophobicContact CE2-CD1 3.93Å; F52-I81 HydrophobicContact CZ-CB 3.88Å; F52-I81 HydrophobicContact CZ-CD1 3.37Å; F52-I81 HydrophobicContact CZ-CG1 4.18Å; F52-I81 HydrophobicContact CZ-CG2 4.07Å; P79-I81 PolarHBondContact O-N 3.47Å; P79-I81 VanDerWaalsContact O-N 3.11Å; I81-L168 HydrophobicContact CD1-CD2 4Å; I81-V172 HydrophobicContact CD1-CB 4.43Å; I81-V172 HydrophobicContact CD1-CG2 4.05Å; I81-V172 HydrophobicContact CG2-CB 4.46Å; I81-V172 HydrophobicContact CG2-CG1 4.47Å
82	S	74.2	Confident	85.1	Confident	84 Å²	84	71.5 Å²	71.5	59%	0.587	37%	0.373	S	S	*	.			trans	-122.1	64.8	176.3	-179	0	0	0	0	110.6
83	K	84.6	Confident	85.4	Confident	49 Å²	49	68.3 Å²	68.3	21%	0.213	36%	0.359	C	S	.	.			trans	-97.9	150.6	176.1	-79	-167.9	169.5	-173.7	0	112.1	L95 E169	K83-L95 HydrophobicContact CB-CD1 3.94Å; K83-L95 PolarHBondContact O-N 3.43Å; K83-E169 WeakPolarHBondContact CD-O 3.38Å; K83-E169 WeakPolarHBondContact CE-O 3.45Å; K83-E169 PolarHBondContact NZ-O 2.86Å
84	T	91	Very high	85.8	Confident	80 Å²	80	70 Å²	70	49%	0.491	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	152.6	165.8	57.2	0	0	0	0	109.3	R93 K94	T84-R93 CarbonylContact C-O 3.46Å; T84-R93 WeakPolarHBondContact CA-O 3.49Å; T84-R93 VanDerWaalsContact CB-O 3.29Å; T84-R93 WeakPolarHBondContact CB-O 3.29Å; T84-K94 HydrophobicContact CG2-CB 4.2Å; T84-K94 HydrophobicContact CG2-CG 4.46Å
85	Y	90.5	Very high	86.1	Confident	31 Å²	31	67.5 Å²	67.5	12%	0.122	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	164.1	173.8	71.7	-75	0	0	0	109	G54 D87 R93 L95 D119 P175	G54-Y85 WeakPolarHBondContact CA-OH 3.06Å; Y85-D87 HydrophobicContact CE2-CB 4.36Å; Y85-R93 HydrophobicContact CD1-CB 4.15Å; Y85-R93 HydrophobicContact CE1-CB 3.6Å; Y85-R93 HydrophobicContact CE2-CB 4.47Å; Y85-R93 PolarHBondContact N-O 3Å; Y85-R93 PolarHBondContact O-N 3.15Å; Y85-R93 WeakPolarHBondContact OH-CD 3.39Å; Y85-L95 HydrophobicContact CD1-CD1 4.24Å; Y85-L95 HydrophobicContact CD1-CD2 3.89Å; Y85-L95 HydrophobicContact CD1-CG 3.79Å; Y85-L95 HydrophobicContact CE1-CD2 3.56Å; Y85-L95 HydrophobicContact CE1-CG 3.92Å; Y85-D119 VanDerWaalsContact OH-CB 3.28Å; Y85-D119 WeakPolarHBondContact OH-CB 3.42Å; Y85-D119 VanDerWaalsContact OH-CG 3.29Å; Y85-D119 PolarHBondContact OH-OD2 3.32Å; Y85-P175 HydrophobicContact CE1-CG 4.17Å; Y85-P175 VanDerWaalsContact CZ-CD 3.4Å; Y85-P175 VanDerWaalsContact OH-CD 3.29Å; Y85-P175 WeakPolarHBondContact OH-CD 3.2Å; Y85-P175 WeakPolarHBondContact OH-CG 3.31Å
86	R	91.3	Very high	86.1	Confident	190 Å²	190	68 Å²	68	72%	0.717	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.3	170.1	-69.4	-171.9	-177.9	-164.2	0.5	109.3	S91 L92	R86-S91 WeakPolarHBondContact CA-O 2.94Å; R86-L92 HydrophobicContact CG-CD1 4.28Å
87	D	88.7	Confident	86	Confident	10 Å²	10	66.8 Å²	66.8	5%	0.053	34%	0.343	C	S	.	.			trans	-71.5	170.9	171.9	75.9	7.6	0	0	0	111	Y85 N89 G90 S91 R93	Y85-D87 HydrophobicContact CE2-CB 4.36Å; D87-N89 PolarHBondContact O-N 3.19Å; D87-N89 VanDerWaalsContact O-N 3.11Å; D87-N89 VanDerWaalsContact OD1-C 3.31Å; D87-N89 VanDerWaalsContact OD1-CA 3.32Å; D87-N89 WeakPolarHBondContact OD1-CA 3.26Å; D87-N89 WeakPolarHBondContact OD1-CB 3.42Å; D87-N89 PolarHBondContact OD1-N 3.5Å; D87-G90 PolarHBondContact O-N 2.85Å; D87-G90 PolarHBondContact OD1-N 2.97Å; D87-S91 PolarHBondContact N-O 3Å; D87-S91 WeakPolarHBondContact OD1-CB 3.46Å; D87-S91 PolarHBondContact OD1-N 3.43Å; D87-R93 HydrophobicContact CB-CG 4.45Å; D87-R93 IonicContact OD2-CZ 3Å; D87-R93 IonicContact OD2-NE 3.75Å; D87-R93 PolarHBondContact OD2-NE 3.12Å; D87-R93 IonicContact OD2-NH2 3.32Å; D87-R93 PolarHBondContact OD2-NH2 3.09Å
88	P	86.6	Confident	86.2	Confident	108 Å²	108	60.2 Å²	60.2	70%	0.701	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.1	177.8	-26.8	36.8	0	0	0	114.7
89	N	87.7	Confident	86.5	Confident	141 Å²	141	62.1 Å²	62.1	75%	0.754	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	3.7	176	-58.9	-36.3	0	0	0	112.2	D87 S91	D87-N89 PolarHBondContact O-N 3.19Å; D87-N89 VanDerWaalsContact O-N 3.11Å; D87-N89 VanDerWaalsContact OD1-C 3.31Å; D87-N89 VanDerWaalsContact OD1-CA 3.32Å; D87-N89 WeakPolarHBondContact OD1-CA 3.26Å; D87-N89 WeakPolarHBondContact OD1-CB 3.42Å; D87-N89 PolarHBondContact OD1-N 3.5Å; N89-S91 VanDerWaalsContact C-N 3.27Å; N89-S91 PolarHBondContact O-N 3.38Å
90	G	88.7	Confident	87.1	Confident	41 Å²	41	61.8 Å²	61.8	42%	0.423	32%	0.323	S	S	.	.	S	Bend	trans	79.5	2.8	-179.2	0	0	0	0	0	114.6	D87	D87-G90 PolarHBondContact O-N 2.85Å; D87-G90 PolarHBondContact OD1-N 2.97Å
91	S	91.3	Very high	87.7	Confident	34 Å²	34	54 Å²	54	24%	0.238	29%	0.291	C	S	.	.			trans	-75.9	132.9	-180	-66.3	0	0	0	0	110.7	Q56 R86 D87 N89	Q56-S91 PolarHBondContact NE2-OG 3.46Å; R86-S91 WeakPolarHBondContact CA-O 2.94Å; D87-S91 PolarHBondContact N-O 3Å; D87-S91 WeakPolarHBondContact OD1-CB 3.46Å; D87-S91 PolarHBondContact OD1-N 3.43Å; N89-S91 VanDerWaalsContact C-N 3.27Å; N89-S91 PolarHBondContact O-N 3.38Å
92	L	94.4	Very high	88.2	Confident	77 Å²	77	59 Å²	59	40%	0.403	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129	174.1	-171.8	69.4	0	0	0	109.7	C57 R86	C57-L92 HydrophobicContact CB-CB 4.23Å; C57-L92 HydrophobicContact CB-CD2 4.07Å; C57-L92 HydrophobicContact CB-CG 4.13Å; C57-L92 WeakPolarHBondContact CB-O 3.28Å; C57-L92 PolarHBondContact N-O 3.3Å; R86-L92 HydrophobicContact CG-CD1 4.28Å
93	R	94.1	Very high	88.6	Confident	9 Å²	9	59.9 Å²	59.9	3%	0.034	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.7	179	-63	-171.3	175.3	-95.2	-2.2	110.5	G54 V55 T84 Y85 D87 N117	G54-R93 PolarHBondContact O-NH1 3.46Å; G54-R93 VanDerWaalsContact O-NH1 3.08Å; V55-R93 CarbonylContact O-C 3.45Å; V55-R93 VanDerWaalsContact O-CA 3.26Å; V55-R93 WeakPolarHBondContact O-CA 3.18Å; T84-R93 CarbonylContact C-O 3.46Å; T84-R93 WeakPolarHBondContact CA-O 3.49Å; T84-R93 VanDerWaalsContact CB-O 3.29Å; T84-R93 WeakPolarHBondContact CB-O 3.29Å; Y85-R93 HydrophobicContact CD1-CB 4.15Å; Y85-R93 HydrophobicContact CE1-CB 3.6Å; Y85-R93 HydrophobicContact CE2-CB 4.47Å; Y85-R93 PolarHBondContact N-O 3Å; Y85-R93 PolarHBondContact O-N 3.15Å; Y85-R93 WeakPolarHBondContact OH-CD 3.39Å; D87-R93 HydrophobicContact CB-CG 4.45Å; D87-R93 IonicContact OD2-CZ 3Å; D87-R93 IonicContact OD2-NE 3.75Å; D87-R93 PolarHBondContact OD2-NE 3.12Å; D87-R93 IonicContact OD2-NH2 3.32Å; D87-R93 PolarHBondContact OD2-NH2 3.09Å; R93-N117 PolarHBondContact NH1-O 3.03Å; R93-N117 PolarHBondContact NH2-OD1 3.19Å
94	K	92.2	Very high	88.7	Confident	65 Å²	65	63.7 Å²	63.7	28%	0.283	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.8	173.5	-177.2	174.9	-178.1	177.3	0	109.6	V55 T84 M96	V55-K94 PolarHBondContact N-O 3.32Å; V55-K94 PolarHBondContact O-N 3.44Å; T84-K94 HydrophobicContact CG2-CB 4.2Å; T84-K94 HydrophobicContact CG2-CG 4.46Å; K94-M96 HydrophobicContact CD-SD 4.06Å; K94-M96 HydrophobicContact CG-CG 4.46Å; K94-M96 HydrophobicContact CG-SD 4.27Å
95	L	90.8	Very high	88.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.5	172.8	-69.7	167.4	0	0	0	109.6	F52 V53 K83 Y85 V172 P175	F52-L95 HydrophobicContact CB-CD2 4.37Å; F52-L95 HydrophobicContact CD1-CB 4.17Å; V53-L95 WeakPolarHBondContact O-CA 3.33Å; K83-L95 HydrophobicContact CB-CD1 3.94Å; K83-L95 PolarHBondContact O-N 3.43Å; Y85-L95 HydrophobicContact CD1-CD1 4.24Å; Y85-L95 HydrophobicContact CD1-CD2 3.89Å; Y85-L95 HydrophobicContact CD1-CG 3.79Å; Y85-L95 HydrophobicContact CE1-CD2 3.56Å; Y85-L95 HydrophobicContact CE1-CG 3.92Å; L95-V172 HydrophobicContact CD1-CG1 4.21Å; L95-P175 HydrophobicContact CD2-CG 4.13Å
96	M	89.9	Confident	88.1	Confident	38 Å²	38	66.5 Å²	66.5	19%	0.187	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.9	179.1	-68.6	-65.1	-57.2	0	0	108.8	F52 V53 V55 L65 F72 K94	F52-M96 WeakPolarHBondContact CA-O 3.41Å; V53-M96 HydrophobicContact CG2-CB 4.24Å; V53-M96 WeakPolarHBondContact CG2-O 3.5Å; V53-M96 PolarHBondContact N-O 3.49Å; V53-M96 PolarHBondContact O-N 2.93Å; V55-M96 HydrophobicContact CG2-CB 4.15Å; V55-M96 HydrophobicContact CG2-CG 3.78Å; L65-M96 HydrophobicContact CD2-CE 3.78Å; L65-M96 HydrophobicContact CD2-CG 4.09Å; L65-M96 HydrophobicContact CD2-SD 4.08Å; F72-M96 HydrophobicContact CE1-CE 4.25Å; F72-M96 HydrophobicContact CZ-CE 4.4Å; K94-M96 HydrophobicContact CD-SD 4.06Å; K94-M96 HydrophobicContact CG-CG 4.46Å; K94-M96 HydrophobicContact CG-SD 4.27Å
97	L	88.2	Confident	87.8	Confident	32 Å²	32	63.8 Å²	63.8	17%	0.168	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	123.2	175.8	-176.3	64.5	0	0	0	109.9	M50 F52 L78 V178 I180	M50-L97 HydrophobicContact CB-CD1 3.54Å; M50-L97 HydrophobicContact CB-CG 4.29Å; M50-L97 HydrophobicContact CG-CD1 4.42Å; M50-L97 HydrophobicContact SD-CD1 4.05Å; M50-L97 HydrophobicContact SD-CD2 3.75Å; M50-L97 HydrophobicContact SD-CG 3.83Å; F52-L97 HydrophobicContact CD1-CB 4.15Å; F52-L97 HydrophobicContact CD1-CD1 4.43Å; F52-L97 HydrophobicContact CD2-CD1 3.98Å; F52-L97 HydrophobicContact CE1-CB 3.69Å; F52-L97 HydrophobicContact CE1-CD1 4.2Å; F52-L97 HydrophobicContact CE1-CG 4.46Å; F52-L97 HydrophobicContact CE2-CD1 3.72Å; F52-L97 HydrophobicContact CG-CD1 4.33Å; F52-L97 HydrophobicContact CZ-CB 3.96Å; F52-L97 HydrophobicContact CZ-CD1 3.81Å; F52-L97 HydrophobicContact CZ-CD2 4.36Å; F52-L97 HydrophobicContact CZ-CG 4.27Å; L78-L97 HydrophobicContact CD1-CD2 4.3Å; L97-V178 HydrophobicContact CD1-CG2 3.78Å; L97-I180 HydrophobicContact CD1-CD1 4.11Å; L97-I180 HydrophobicContact CD2-CD1 3.44Å; L97-I180 VanDerWaalsContact CD2-CD1 3.44Å; L97-I180 HydrophobicContact CG-CD1 4.34Å
98	V	89.5	Confident	87.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.3	176.2	-58.9	0	0	0	0	110.8	M50 I51 V53 F71 F72 F109	M50-V98 WeakPolarHBondContact CA-O 3.43Å; M50-V98 WeakPolarHBondContact CB-O 3.35Å; I51-V98 HydrophobicContact CG2-CG2 3.44Å; I51-V98 VanDerWaalsContact CG2-CG2 3.44Å; I51-V98 PolarHBondContact N-O 3.36Å; I51-V98 PolarHBondContact O-N 3.25Å; V53-V98 HydrophobicContact CG1-CG2 3.89Å; V53-V98 HydrophobicContact CG2-CG1 4.2Å; V53-V98 HydrophobicContact CG2-CG2 4.09Å; F71-V98 HydrophobicContact CB-CB 4.04Å; F71-V98 CarbonylContact O-C 3.59Å; F71-V98 VanDerWaalsContact O-CA 3.3Å; F71-V98 WeakPolarHBondContact O-CA 3.46Å; F71-V98 WeakPolarHBondContact O-CB 3.33Å; F72-V98 HydrophobicContact CD1-CG1 4.31Å; V98-F109 HydrophobicContact CG2-CZ 4.01Å
99	Q	87.5	Confident	87.9	Confident	69 Å²	69	63.8 Å²	63.8	32%	0.322	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	136.2	177.9	-174.6	174.7	-5.7	0	0	110	F71 P74	F71-Q99 PolarHBondContact O-N 2.79Å; P74-Q99 VanDerWaalsContact CD-OE1 3.27Å
100	M	85.3	Confident	87.8	Confident	28 Å²	28	58.7 Å²	58.7	14%	0.138	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-68.6	135.1	173	-72.2	-74.7	-72.3	0	0	110.1	I51 I106 F109 Y124 L177	I51-M100 HydrophobicContact CB-CG 4.38Å; I51-M100 HydrophobicContact CB-SD 3.96Å; I51-M100 HydrophobicContact CD1-SD 4.27Å; I51-M100 HydrophobicContact CG2-CG 4.21Å; I51-M100 HydrophobicContact CG2-SD 3.71Å; M100-I106 HydrophobicContact CE-CD1 4.41Å; M100-F109 HydrophobicContact SD-CE1 4.46Å; M100-Y124 HydrophobicContact CE-CE2 4.24Å; M100-Y124 WeakPolarHBondContact CE-OH 3.31Å; M100-L177 HydrophobicContact CE-CD1 4.31Å; M100-L177 HydrophobicContact CG-CD1 4.1Å; M100-L177 HydrophobicContact SD-CD1 4.2Å
101	P	83.1	Confident	87.7	Confident	24 Å²	24	60.1 Å²	60.1	16%	0.156	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-72	171.7	176.2	35.5	-39.5	0	0	0	111.2	F71 K105 I106 F109	F71-P101 HydrophobicContact CE1-CB 4.45Å; P101-K105 HydrophobicContact CB-CB 4.02Å; P101-K105 HydrophobicContact CG-CB 4.5Å; P101-I106 HydrophobicContact CG-CG1 4.07Å; P101-F109 HydrophobicContact CG-CB 3.7Å; P101-F109 HydrophobicContact CG-CD1 3.96Å; P101-F109 HydrophobicContact CG-CD2 4.47Å; P101-F109 HydrophobicContact CG-CG 3.81Å
102	E	83.3	Confident	87.7	Confident	130 Å²	130	60.1 Å²	60.1	61%	0.607	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-56.4	150.7	171.7	-64.5	-62.1	159.8	0	0	111.8	D104 K105 I106	E102-D104 WeakPolarHBondContact CB-OD1 3.09Å; E102-D104 PolarHBondContact O-N 3.31Å; E102-D104 VanDerWaalsContact O-N 3.09Å; E102-K105 PolarHBondContact O-N 3.09Å; E102-I106 PolarHBondContact O-N 3.4Å
103	P	82.4	Confident	87.5	Confident	102 Å²	102	56.4 Å²	56.4	66%	0.662	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-52	-36.7	-172.6	-29.4	35.7	0	0	0	115.4	K105	P103-K105 VanDerWaalsContact C-N 3.25Å; P103-K105 PolarHBondContact O-N 2.91Å
104	D	85.7	Confident	87.2	Confident	129 Å²	129	60.8 Å²	60.8	69%	0.69	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-69.4	-19.1	178.9	62	-52.1	0	0	0	113.6	E102	E102-D104 WeakPolarHBondContact CB-OD1 3.09Å; E102-D104 PolarHBondContact O-N 3.31Å; E102-D104 VanDerWaalsContact O-N 3.09Å
105	K	86.5	Confident	87.2	Confident	122 Å²	122	64.9 Å²	64.9	53%	0.53	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-105.3	-3.6	-177	-65.8	178.8	-174.6	173.7	0	113.9	P101 E102 P103 L107 Q108 F109	P101-K105 HydrophobicContact CB-CB 4.02Å; P101-K105 HydrophobicContact CG-CB 4.5Å; E102-K105 PolarHBondContact O-N 3.09Å; P103-K105 VanDerWaalsContact C-N 3.25Å; P103-K105 PolarHBondContact O-N 2.91Å; K105-L107 PolarHBondContact O-N 3.11Å; K105-Q108 PolarHBondContact O-N 2.94Å; K105-F109 WeakPolarHBondContact O-CB 3.09Å; K105-F109 PolarHBondContact O-N 2.8Å
106	I	83.4	Confident	87.1	Confident	47 Å²	47	67.3 Å²	67.3	24%	0.241	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-44.4	-176.7	-70.1	176.5	0	0	0	112	M100 P101 E102 Q108 F109 I110 Y124	M100-I106 HydrophobicContact CE-CD1 4.41Å; P101-I106 HydrophobicContact CG-CG1 4.07Å; E102-I106 PolarHBondContact O-N 3.4Å; I106-Q108 PolarHBondContact O-N 2.89Å; I106-F109 WeakPolarHBondContact O-CB 3.16Å; I106-F109 PolarHBondContact O-N 2.9Å; I106-I110 HydrophobicContact CG2-CD1 3.82Å; I106-I110 HydrophobicContact CG2-CG1 4.47Å; I106-I110 WeakPolarHBondContact O-CG1 3.34Å; I106-I110 PolarHBondContact O-N 2.89Å; I106-Y124 HydrophobicContact CG2-CE1 4.05Å; I106-Y124 WeakPolarHBondContact CG2-OH 3.39Å
107	L	85.1	Confident	87.1	Confident	134 Å²	134	69.4 Å²	69.4	70%	0.702	35%	0.354	S	S	*	.	H	α-helix	trans	-65.3	-41.7	-178	-177.3	62.8	0	0	0	112.2	K105 I110 T111	K105-L107 PolarHBondContact O-N 3.11Å; L107-I110 PolarHBondContact O-N 2.9Å; L107-T111 PolarHBondContact O-N 3.39Å; L107-T111 VanDerWaalsContact O-N 3.09Å; L107-T111 PolarHBondContact O-OG1 3.49Å
108	Q	88.2	Confident	87.2	Confident	113 Å²	113	68.1 Å²	68.1	53%	0.528	35%	0.347	S	S	.	.	H	α-helix	trans	-63	-45.9	175.7	-175.6	60.5	53.4	0	0	110.5	K105 I106 I110 T111 D112	K105-Q108 PolarHBondContact O-N 2.94Å; I106-Q108 PolarHBondContact O-N 2.89Å; Q108-I110 PolarHBondContact O-N 3.25Å; Q108-T111 WeakPolarHBondContact O-CB 3.42Å; Q108-T111 PolarHBondContact O-N 3.46Å; Q108-T111 VanDerWaalsContact O-N 3.12Å; Q108-D112 PolarHBondContact NE2-OD1 3.33Å; Q108-D112 VanDerWaalsContact O-CG 3.22Å; Q108-D112 PolarHBondContact O-N 3.31Å
109	F	87.7	Confident	87.2	Confident	4 Å²	4	70.3 Å²	70.3	2%	0.018	36%	0.359	C	S	.	.	H	α-helix	trans	-57.1	-45.7	177.5	173.9	-111.4	0	0	0	112.8	I51 F71 V98 M100 P101 K105 I106 T111 D112 L113	I51-F109 HydrophobicContact CG2-CE1 4.42Å; F71-F109 HydrophobicContact CB-CE2 4.33Å; F71-F109 AromaticContact CD1-CD2 3.89Å; F71-F109 HydrophobicContact CD1-CD2 3.89Å; F71-F109 AromaticContact CD1-CE2 3.67Å; F71-F109 HydrophobicContact CD1-CE2 3.67Å; F71-F109 HydrophobicContact CD2-CD2 4.31Å; F71-F109 AromaticContact CD2-CE2 3.88Å; F71-F109 HydrophobicContact CD2-CE2 3.88Å; F71-F109 AromaticContact CE1-CD2 3.56Å; F71-F109 HydrophobicContact CE1-CD2 3.56Å; F71-F109 AromaticContact CE1-CE2 3.85Å; F71-F109 HydrophobicContact CE1-CE2 3.85Å; F71-F109 HydrophobicContact CE2-CD2 4.01Å; F71-F109 HydrophobicContact CE2-CE2 4.05Å; F71-F109 HydrophobicContact CG-CD2 4.25Å; F71-F109 AromaticContact CG-CE2 3.69Å; F71-F109 HydrophobicContact CG-CE2 3.69Å; F71-F109 AromaticContact CZ-CD2 3.63Å; F71-F109 HydrophobicContact CZ-CD2 3.63Å; F71-F109 HydrophobicContact CZ-CE2 4.04Å; V98-F109 HydrophobicContact CG2-CZ 4.01Å; M100-F109 HydrophobicContact SD-CE1 4.46Å; P101-F109 HydrophobicContact CG-CB 3.7Å; P101-F109 HydrophobicContact CG-CD1 3.96Å; P101-F109 HydrophobicContact CG-CD2 4.47Å; P101-F109 HydrophobicContact CG-CG 3.81Å; K105-F109 WeakPolarHBondContact O-CB 3.09Å; K105-F109 PolarHBondContact O-N 2.8Å; I106-F109 WeakPolarHBondContact O-CB 3.16Å; I106-F109 PolarHBondContact O-N 2.9Å; F109-T111 VanDerWaalsContact C-N 3.32Å; F109-T111 PolarHBondContact O-N 3Å; F109-D112 PolarHBondContact O-N 3.42Å; F109-L113 HydrophobicContact CD1-CD1 4.1Å; F109-L113 HydrophobicContact CD2-CD1 4.4Å; F109-L113 HydrophobicContact CD2-CG 4.33Å; F109-L113 HydrophobicContact CE1-CD1 3.56Å; F109-L113 HydrophobicContact CE1-CG 4.45Å; F109-L113 HydrophobicContact CE2-CD1 3.89Å; F109-L113 HydrophobicContact CE2-CD2 4.18Å; F109-L113 HydrophobicContact CE2-CG 4.07Å; F109-L113 HydrophobicContact CZ-CD1 3.46Å; F109-L113 VanDerWaalsContact CZ-CD1 3.46Å; F109-L113 HydrophobicContact CZ-CD2 4.46Å; F109-L113 HydrophobicContact CZ-CG 4.16Å; F109-L113 VanDerWaalsContact O-CG 3.3Å; F109-L113 WeakPolarHBondContact O-CG 3.47Å; F109-L113 PolarHBondContact O-N 3.38Å
110	I	85.8	Confident	87.2	Confident	34 Å²	34	68 Å²	68	17%	0.174	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-42.8	176.2	-66.9	164	0	0	0	111.1	I106 L107 Q108 D112 L113 N114 L120 Y124	I106-I110 HydrophobicContact CG2-CD1 3.82Å; I106-I110 HydrophobicContact CG2-CG1 4.47Å; I106-I110 WeakPolarHBondContact O-CG1 3.34Å; I106-I110 PolarHBondContact O-N 2.89Å; L107-I110 PolarHBondContact O-N 2.9Å; Q108-I110 PolarHBondContact O-N 3.25Å; I110-D112 VanDerWaalsContact C-N 3.34Å; I110-D112 PolarHBondContact O-N 3.12Å; I110-L113 PolarHBondContact O-N 3.17Å; I110-N114 WeakPolarHBondContact O-CB 3.41Å; I110-N114 PolarHBondContact O-N 3.09Å; I110-N114 PolarHBondContact O-ND2 2.95Å; I110-L120 HydrophobicContact CG2-CD1 3.93Å; I110-Y124 HydrophobicContact CD1-CD1 3.82Å; I110-Y124 HydrophobicContact CD1-CE1 3.39Å; I110-Y124 HydrophobicContact CG1-CE1 4.33Å
111	T	87.9	Confident	87	Confident	72 Å²	72	67.1 Å²	67.1	44%	0.442	35%	0.345	S	S	.	.	H	α-helix	trans	-61.2	-45.5	178.7	-56	0	0	0	0	110.9	L107 Q108 F109 N114 Q115	L107-T111 PolarHBondContact O-N 3.39Å; L107-T111 VanDerWaalsContact O-N 3.09Å; L107-T111 PolarHBondContact O-OG1 3.49Å; Q108-T111 WeakPolarHBondContact O-CB 3.42Å; Q108-T111 PolarHBondContact O-N 3.46Å; Q108-T111 VanDerWaalsContact O-N 3.12Å; F109-T111 VanDerWaalsContact C-N 3.32Å; F109-T111 PolarHBondContact O-N 3Å; T111-N114 PolarHBondContact O-N 3.37Å; T111-Q115 WeakPolarHBondContact O-CB 3.48Å; T111-Q115 PolarHBondContact O-N 2.97Å
112	D	90.5	Very high	86.4	Confident	33 Å²	33	74.7 Å²	74.7	18%	0.176	38%	0.375	C	S	.	.	H	α-helix	trans	-61.9	-46.3	177.7	-65.8	-18.2	0	0	0	111.4	Q108 F109 I110 N114 Q115 W116	Q108-D112 PolarHBondContact NE2-OD1 3.33Å; Q108-D112 VanDerWaalsContact O-CG 3.22Å; Q108-D112 PolarHBondContact O-N 3.31Å; F109-D112 PolarHBondContact O-N 3.42Å; I110-D112 VanDerWaalsContact C-N 3.34Å; I110-D112 PolarHBondContact O-N 3.12Å; D112-N114 PolarHBondContact O-N 2.79Å; D112-Q115 WeakPolarHBondContact O-CB 3.48Å; D112-Q115 PolarHBondContact O-N 2.78Å; D112-W116 HydrophobicContact CB-CH2 3.93Å; D112-W116 HydrophobicContact CB-CZ2 3.84Å; D112-W116 HydrophobicContact CB-CZ3 4.31Å; D112-W116 WeakPolarHBondContact O-CB 3.38Å; D112-W116 VanDerWaalsContact O-CD2 3.24Å; D112-W116 PolarHBondContact O-N 3.32Å
113	L	90.2	Very high	85.4	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.6	-44	178.6	-69.8	-173.6	0	0	0	112.6	V53 L68 F109 I110 W116 N117 V118 L120	V53-L113 HydrophobicContact CG1-CD1 4.16Å; L68-L113 HydrophobicContact CD2-CD2 3.37Å; F109-L113 HydrophobicContact CD1-CD1 4.1Å; F109-L113 HydrophobicContact CD2-CD1 4.4Å; F109-L113 HydrophobicContact CD2-CG 4.33Å; F109-L113 HydrophobicContact CE1-CD1 3.56Å; F109-L113 HydrophobicContact CE1-CG 4.45Å; F109-L113 HydrophobicContact CE2-CD1 3.89Å; F109-L113 HydrophobicContact CE2-CD2 4.18Å; F109-L113 HydrophobicContact CE2-CG 4.07Å; F109-L113 HydrophobicContact CZ-CD1 3.46Å; F109-L113 VanDerWaalsContact CZ-CD1 3.46Å; F109-L113 HydrophobicContact CZ-CD2 4.46Å; F109-L113 HydrophobicContact CZ-CG 4.16Å; F109-L113 VanDerWaalsContact O-CG 3.3Å; F109-L113 WeakPolarHBondContact O-CG 3.47Å; F109-L113 PolarHBondContact O-N 3.38Å; I110-L113 PolarHBondContact O-N 3.17Å; L113-W116 HydrophobicContact CD2-CE3 4.13Å; L113-W116 HydrophobicContact CD2-CZ3 4.32Å; L113-W116 CarbonylContact O-C 3.45Å; L113-W116 PolarHBondContact O-N 2.99Å; L113-W116 VanDerWaalsContact O-N 3.15Å; L113-N117 PolarHBondContact O-N 2.89Å; L113-N117 VanDerWaalsContact O-N 3.16Å; L113-V118 HydrophobicContact CB-CB 4.18Å; L113-V118 HydrophobicContact CD2-CB 4.02Å; L113-V118 HydrophobicContact CD2-CG1 3.99Å; L113-V118 HydrophobicContact CD2-CG2 4.28Å; L113-V118 PolarHBondContact O-N 3.5Å; L113-L120 HydrophobicContact CB-CD1 4.25Å; L113-L120 HydrophobicContact CD1-CD1 4.42Å; L113-L120 HydrophobicContact CD1-CD2 3.61Å; L113-L120 HydrophobicContact CD1-CG 4.23Å
114	N	88.9	Confident	84.2	Confident	100 Å²	100	71.6 Å²	71.6	54%	0.535	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-44.5	175.3	-75.3	-34.9	0	0	0	111.4	I110 T111 D112 W116 N117	I110-N114 WeakPolarHBondContact O-CB 3.41Å; I110-N114 PolarHBondContact O-N 3.09Å; I110-N114 PolarHBondContact O-ND2 2.95Å; T111-N114 PolarHBondContact O-N 3.37Å; D112-N114 PolarHBondContact O-N 2.79Å; N114-W116 PolarHBondContact O-N 3.36Å; N114-N117 PolarHBondContact O-N 3.47Å
115	Q	90.8	Very high	82.6	Confident	152 Å²	152	70.9 Å²	70.9	71%	0.71	36%	0.356	S	S	*	.	H	α-helix	trans	-60.5	-32.4	176	-169.8	-172.7	14.8	0	0	111.9	T111 D112 N117	T111-Q115 WeakPolarHBondContact O-CB 3.48Å; T111-Q115 PolarHBondContact O-N 2.97Å; D112-Q115 WeakPolarHBondContact O-CB 3.48Å; D112-Q115 PolarHBondContact O-N 2.78Å; Q115-N117 VanDerWaalsContact C-N 3.3Å
116	W	89.5	Confident	81	Confident	50 Å²	50	72 Å²	72	19%	0.189	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	5.7	178.9	-56.4	-13.1	0	0	0	113.6	K67 L68 D112 L113 N114 V118	K67-W116 HydrophobicContact CB-CD2 4.04Å; K67-W116 HydrophobicContact CB-CE3 3.8Å; K67-W116 HydrophobicContact CB-CH2 4.06Å; K67-W116 HydrophobicContact CB-CZ2 4.29Å; K67-W116 HydrophobicContact CB-CZ3 3.81Å; K67-W116 HydrophobicContact CD-CD2 3.71Å; K67-W116 HydrophobicContact CD-CE3 4.3Å; K67-W116 HydrophobicContact CD-CG 3.77Å; K67-W116 HydrophobicContact CD-CZ2 4.45Å; K67-W116 HydrophobicContact CG-CD2 4.43Å; L68-W116 HydrophobicContact CD2-CE3 4.41Å; L68-W116 HydrophobicContact CD2-CZ3 4.31Å; D112-W116 HydrophobicContact CB-CH2 3.93Å; D112-W116 HydrophobicContact CB-CZ2 3.84Å; D112-W116 HydrophobicContact CB-CZ3 4.31Å; D112-W116 WeakPolarHBondContact O-CB 3.38Å; D112-W116 VanDerWaalsContact O-CD2 3.24Å; D112-W116 PolarHBondContact O-N 3.32Å; L113-W116 HydrophobicContact CD2-CE3 4.13Å; L113-W116 HydrophobicContact CD2-CZ3 4.32Å; L113-W116 CarbonylContact O-C 3.45Å; L113-W116 PolarHBondContact O-N 2.99Å; L113-W116 VanDerWaalsContact O-N 3.15Å; N114-W116 PolarHBondContact O-N 3.36Å; W116-V118 HydrophobicContact CB-CG2 4.06Å; W116-V118 PolarHBondContact O-N 2.94Å
117	N	89.6	Confident	79.6	Confident	83 Å²	83	72 Å²	72	44%	0.444	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	40.9	-176.7	-179.3	27.8	0	0	0	111.8	Q56 R93 L113 N114 Q115	Q56-N117 PolarHBondContact OE1-ND2 2.98Å; R93-N117 PolarHBondContact NH1-O 3.03Å; R93-N117 PolarHBondContact NH2-OD1 3.19Å; L113-N117 PolarHBondContact O-N 2.89Å; L113-N117 VanDerWaalsContact O-N 3.16Å; N114-N117 PolarHBondContact O-N 3.47Å; Q115-N117 VanDerWaalsContact C-N 3.3Å
118	V	90.5	Very high	78.3	Confident	4 Å²	4	74 Å²	74	2%	0.024	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.4	172	176.5	0	0	0	0	108.1	V53 V55 L68 L113 W116	V53-V118 HydrophobicContact CB-CG1 3.58Å; V53-V118 HydrophobicContact CG1-CG1 4.35Å; V53-V118 HydrophobicContact CG2-CG1 3.7Å; V55-V118 HydrophobicContact CG2-CG1 4.49Å; L68-V118 HydrophobicContact CD1-CG2 4.4Å; L113-V118 HydrophobicContact CB-CB 4.18Å; L113-V118 HydrophobicContact CD2-CB 4.02Å; L113-V118 HydrophobicContact CD2-CG1 3.99Å; L113-V118 HydrophobicContact CD2-CG2 4.28Å; L113-V118 PolarHBondContact O-N 3.5Å; W116-V118 HydrophobicContact CB-CG2 4.06Å; W116-V118 PolarHBondContact O-N 2.94Å
119	D	90	Very high	76.9	Confident	46 Å²	46	70.7 Å²	70.7	25%	0.246	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.7	-175.4	-164.9	25.4	0	0	0	111	V53 G54 Y85 P175	V53-D119 WeakPolarHBondContact CA-O 3.47Å; G54-D119 PolarHBondContact N-O 3.42Å; G54-D119 WeakPolarHBondContact O-CB 3.3Å; G54-D119 PolarHBondContact O-N 2.95Å; Y85-D119 VanDerWaalsContact OH-CB 3.28Å; Y85-D119 WeakPolarHBondContact OH-CB 3.42Å; Y85-D119 VanDerWaalsContact OH-CG 3.29Å; Y85-D119 PolarHBondContact OH-OD2 3.32Å; D119-P175 HydrophobicContact CB-CG 4.29Å
120	L	86.9	Confident	75.7	Confident	22 Å²	22	72.8 Å²	72.8	12%	0.115	38%	0.376	C	S	.	.			trans	-116.4	158.4	-175.1	-80.3	170.4	0	0	0	110.4	I51 V53 I110 L113 K122	I51-L120 HydrophobicContact CD1-CD2 3.95Å; V53-L120 HydrophobicContact CG1-CD2 4.14Å; I110-L120 HydrophobicContact CG2-CD1 3.93Å; L113-L120 HydrophobicContact CB-CD1 4.25Å; L113-L120 HydrophobicContact CD1-CD1 4.42Å; L113-L120 HydrophobicContact CD1-CD2 3.61Å; L113-L120 HydrophobicContact CD1-CG 4.23Å; L120-K122 PolarHBondContact O-N 3.03Å
121	P	81.5	Confident	74.5	Confident	9 Å²	9	75.3 Å²	75.3	6%	0.058	39%	0.389	C	S	.	.			trans	-58	133.2	173.7	-18.1	28.9	0	0	0	110.7	I51 D123 Y124 L127 P175	I51-P121 HydrophobicContact CD1-CG 3.74Å; I51-P121 HydrophobicContact CG1-CG 3.99Å; P121-D123 PolarHBondContact O-N 3.32Å; P121-Y124 PolarHBondContact O-N 3.13Å; P121-L127 HydrophobicContact CB-CD1 3.77Å; P121-L127 HydrophobicContact CB-CD2 3.97Å; P121-L127 HydrophobicContact CG-CD1 3.92Å; P121-P175 HydrophobicContact CG-CB 4.19Å
122	K	69.8	Low	73.1	Confident	182 Å²	182	72.3 Å²	72.3	79%	0.791	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.4	-173.8	-64.3	-178	-178.9	178.4	0	113.5	L120	L120-K122 PolarHBondContact O-N 3.03Å
123	D	61.9	Low	71.5	Confident	114 Å²	114	74.8 Å²	74.8	61%	0.61	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	39.3	-174.9	-64.5	-38.3	0	0	0	113.5	P121 P125 N126 L127	P121-D123 PolarHBondContact O-N 3.32Å; D123-P125 VanDerWaalsContact C-N 3.28Å; D123-P125 WeakPolarHBondContact O-CD 3.43Å; D123-N126 PolarHBondContact O-N 3.22Å; D123-L127 HydrophobicContact CB-CD2 4.26Å; D123-L127 WeakPolarHBondContact O-CD2 3.48Å; D123-L127 VanDerWaalsContact O-CG 3.29Å; D123-L127 WeakPolarHBondContact O-CG 3.49Å; D123-L127 PolarHBondContact O-N 3.05Å
124	Y	57.4	Low	69.7	Low	54 Å²	54	76.2 Å²	76.2	21%	0.212	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-44.3	-40.3	-178.8	-164.6	-89.8	0	0	0	116.2	I51 M100 I106 I110 P121 N126 L127	I51-Y124 HydrophobicContact CD1-CD2 4.16Å; I51-Y124 HydrophobicContact CD1-CE2 3.82Å; M100-Y124 HydrophobicContact CE-CE2 4.24Å; M100-Y124 WeakPolarHBondContact CE-OH 3.31Å; I106-Y124 HydrophobicContact CG2-CE1 4.05Å; I106-Y124 WeakPolarHBondContact CG2-OH 3.39Å; I110-Y124 HydrophobicContact CD1-CD1 3.82Å; I110-Y124 HydrophobicContact CD1-CE1 3.39Å; I110-Y124 HydrophobicContact CG1-CE1 4.33Å; P121-Y124 PolarHBondContact O-N 3.13Å; Y124-N126 VanDerWaalsContact C-N 3.25Å; Y124-N126 PolarHBondContact O-N 3.09Å; Y124-L127 HydrophobicContact CD2-CD1 3.89Å; Y124-L127 HydrophobicContact CG-CD1 4.39Å
125	P	52.1	Low	67.7	Low	114 Å²	114	73.5 Å²	73.5	74%	0.74	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-64	-25.1	179.2	-20.2	32	0	0	0	114.8	D123	D123-P125 VanDerWaalsContact C-N 3.28Å; D123-P125 WeakPolarHBondContact O-CD 3.43Å
126	N	52.7	Low	65.1	Low	145 Å²	145	74.4 Å²	74.4	78%	0.775	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-126.9	25.2	-170.6	-74.3	-21.9	0	0	0	113.3	D123 Y124 Q128	D123-N126 PolarHBondContact O-N 3.22Å; Y124-N126 VanDerWaalsContact C-N 3.25Å; Y124-N126 PolarHBondContact O-N 3.09Å; N126-Q128 PolarHBondContact O-N 3.48Å
127	L	54.2	Low	62.6	Low	46 Å²	46	76.9 Å²	76.9	24%	0.241	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-68.2	121	-176.7	-65.2	175.3	0	0	0	112	P121 D123 Y124 P129 L177	P121-L127 HydrophobicContact CB-CD1 3.77Å; P121-L127 HydrophobicContact CB-CD2 3.97Å; P121-L127 HydrophobicContact CG-CD1 3.92Å; D123-L127 HydrophobicContact CB-CD2 4.26Å; D123-L127 WeakPolarHBondContact O-CD2 3.48Å; D123-L127 VanDerWaalsContact O-CG 3.29Å; D123-L127 WeakPolarHBondContact O-CG 3.49Å; D123-L127 PolarHBondContact O-N 3.05Å; Y124-L127 HydrophobicContact CD2-CD1 3.89Å; Y124-L127 HydrophobicContact CG-CD1 4.39Å; L127-P129 WeakPolarHBondContact O-CD 3.39Å; L127-L177 HydrophobicContact CB-CB 4.04Å; L127-L177 HydrophobicContact CB-CD2 3.93Å; L127-L177 HydrophobicContact CD1-CB 3.66Å; L127-L177 HydrophobicContact CD1-CD2 4.47Å; L127-L177 HydrophobicContact CG-CB 4.4Å
128	Q	58.7	Low	59.9	Low	176 Å²	176	76.5 Å²	76.5	82%	0.822	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-79.6	117.2	156.3	-70.3	-82.6	-34.7	0	0	107.1	N126 V130	N126-Q128 PolarHBondContact O-N 3.48Å; Q128-V130 PolarHBondContact O-N 2.93Å
129	P	58.4	Low	57.2	Low	45 Å²	45	84.3 Å²	84.3	29%	0.292	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-61.4	135.8	177.7	-12.7	22.3	0	0	0	110.6	L127 D131 L177 N179	L127-P129 WeakPolarHBondContact O-CD 3.39Å; P129-D131 PolarHBondContact O-N 3.36Å; P129-L177 HydrophobicContact CB-CD2 3.96Å; P129-L177 HydrophobicContact CB-CG 4.09Å; P129-L177 HydrophobicContact CG-CD2 3.69Å; P129-L177 HydrophobicContact CG-CG 4.35Å; P129-N179 HydrophobicContact CB-CB 4.17Å; P129-N179 VanDerWaalsContact CB-CG 3.47Å; P129-N179 WeakPolarHBondContact CB-ND2 3.26Å
130	V	63.4	Low	54.5	Low	48 Å²	48	85.6 Å²	85.6	29%	0.291	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	116.8	168.8	-178.1	0	0	0	0	108.2	Q128 L132 M171 L177 V178 N179	Q128-V130 PolarHBondContact O-N 2.93Å; V130-L132 HydrophobicContact CG1-CD2 4.26Å; V130-L132 PolarHBondContact O-N 3.4Å; V130-M171 HydrophobicContact CG1-CE 3.73Å; V130-L177 PolarHBondContact N-O 2.79Å; V130-V178 HydrophobicContact CB-CG1 4.25Å; V130-V178 CarbonylContact O-C 3.57Å; V130-V178 WeakPolarHBondContact O-CA 3.3Å; V130-N179 PolarHBondContact O-N 2.72Å
131	D	58.7	Low	52	Low	86 Å²	86	92.1 Å²	92.1	46%	0.46	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	109.6	175.9	-94.6	-25	0	0	0	109.9	K47 P129 N179	K47-D131 IonicContact NZ-OD1 2.7Å; K47-D131 PolarHBondContact NZ-OD1 3.21Å; K47-D131 IonicContact NZ-OD2 3.77Å; K47-D131 PolarHBondContact NZ-OD2 2.83Å; P129-D131 PolarHBondContact O-N 3.36Å; D131-N179 WeakPolarHBondContact OD1-CB 3.33Å
132	L	59.8	Low	49.7	Very low	10 Å²	10	98.9 Å²	98.9	5%	0.052	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	93.5	170.3	-64.1	-178.5	0	0	0	108	F52 V130 V134 L168 V178 N179 I180 S181	F52-L132 HydrophobicContact CE2-CD1 4.17Å; V130-L132 HydrophobicContact CG1-CD2 4.26Å; V130-L132 PolarHBondContact O-N 3.4Å; L132-V134 PolarHBondContact O-N 2.78Å; L132-L168 HydrophobicContact CB-CD2 4.22Å; L132-L168 HydrophobicContact CD1-CD2 3.85Å; L132-L168 HydrophobicContact CD2-CD2 3.61Å; L132-L168 HydrophobicContact CD2-CG 4.29Å; L132-L168 HydrophobicContact CG-CD2 4.09Å; L132-V178 HydrophobicContact CD1-CB 3.78Å; L132-V178 HydrophobicContact CD1-CG1 3.83Å; L132-V178 HydrophobicContact CD1-CG2 4.07Å; L132-V178 HydrophobicContact CG-CB 4.1Å; L132-V178 HydrophobicContact CG-CG1 4.26Å; L132-N179 PolarHBondContact N-O 3.16Å; L132-I180 HydrophobicContact CB-CG1 4.45Å; L132-S181 PolarHBondContact O-N 3.16Å; L132-S181 VanDerWaalsContact O-N 3.09Å
133	S	57.5	Low	48	Very low	85 Å²	85	96.9 Å²	96.9	59%	0.594	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	116.7	167	53.4	0	0	0	0	108.8	P135	S133-P135 WeakPolarHBondContact O-CD 3.46Å
134	V	51.3	Low	46.6	Very low	29 Å²	29	97.6 Å²	97.6	18%	0.176	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-68.5	123.5	168.5	-177.4	0	0	0	0	107.2	L78 L132 I180 S181	L78-V134 HydrophobicContact CD2-CG2 4.08Å; L132-V134 PolarHBondContact O-N 2.78Å; V134-I180 HydrophobicContact CG2-CG2 3.71Å; V134-S181 WeakPolarHBondContact CB-O 3.43Å; V134-S181 WeakPolarHBondContact CG2-O 3.46Å
135	P	46.8	Very low	45.4	Very low	44 Å²	44	104.2 Å²	104.2	29%	0.286	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-61.9	141.1	177.4	-20	31.5	0	0	0	110.4	S133 L137 E164	S133-P135 WeakPolarHBondContact O-CD 3.46Å; P135-L137 PolarHBondContact O-N 2.88Å; P135-L137 VanDerWaalsContact O-N 3.13Å; P135-E164 WeakPolarHBondContact CB-OE2 3.44Å; P135-E164 HydrophobicContact CG-CB 4.26Å; P135-E164 HydrophobicContact CG-CG 4.42Å; P135-E164 WeakPolarHBondContact CG-OE2 3.28Å
136	K	37.2	Very low	44.3	Very low	171 Å²	171	103.6 Å²	103.6	74%	0.743	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-61.3	116.8	171.1	-79.5	-177.8	175.8	-176.1	0	108.2
137	L	36.6	Very low	43.4	Very low	102 Å²	102	104.7 Å²	104.7	53%	0.534	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-57.8	131.4	162.5	-162.4	73.9	0	0	0	107.4	P135 E139	P135-L137 PolarHBondContact O-N 2.88Å; P135-L137 VanDerWaalsContact O-N 3.13Å; L137-E139 PolarHBondContact O-N 2.9Å; L137-E139 VanDerWaalsContact O-N 3.16Å
138	P	33.6	Very low	42.4	Very low	74 Å²	74	110.7 Å²	110.7	48%	0.481	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-54.4	124.1	-178.4	-24.7	31.9	0	0	0	110.9	C140	P138-C140 PolarHBondContact O-N 3.32Å
139	E	32.3	Very low	41.6	Very low	168 Å²	168	106.8 Å²	106.8	79%	0.785	59%	0.591	S	S	*	*	S	Bend	trans	-68.1	74.4	171.3	-76.1	178.3	146.6	0	0	109.5	L137	L137-E139 PolarHBondContact O-N 2.9Å; L137-E139 VanDerWaalsContact O-N 3.16Å
140	C	33.8	Very low	40.6	Very low	74 Å²	74	113.4 Å²	113.4	50%	0.5	62%	0.623	S	S	.	*			trans	-164	86.2	165	-165.5	0	0	0	0	109.5	P138	P138-C140 PolarHBondContact O-N 3.32Å
141	L	34.4	Very low	39.7	Very low	158 Å²	158	116.6 Å²	116.6	83%	0.827	64%	0.638	S	S	*	*	S	Bend	trans	-110.6	0.9	160.2	-114.9	122.6	0	0	0	112.1
142	D	34.3	Very low	39.2	Very low	152 Å²	152	118.3 Å²	118.3	81%	0.813	65%	0.647	S	S	*	*	S	Bend	trans	-95.4	-9.5	-170.7	-69.8	-23.6	0	0	0	115
143	D	32.7	Very low	38.4	Very low	139 Å²	139	123.8 Å²	123.8	74%	0.743	67%	0.672	S	S	*	*			trans	-132.2	63	-175.2	-72	-43.6	0	0	0	113.8
144	V	32.2	Very low	37.7	Very low	130 Å²	130	122.6 Å²	122.6	79%	0.788	67%	0.668	S	S	*	*			trans	-133.6	92.4	154.6	-171.7	0	0	0	0	109.2	A146	V144-A146 PolarHBondContact O-N 3.05Å
145	K	32	Very low	37.2	Very low	192 Å²	192	129 Å²	129	84%	0.835	69%	0.694	S	S	*	*			trans	-45.4	126.2	153.4	-70.3	174.9	178.2	175.2	0	107.6	E147	K145-E147 VanDerWaalsContact C-N 3.32Å; K145-E147 PolarHBondContact O-N 3.08Å
146	A	29.6	Very low	37.2	Very low	102 Å²	102	134.2 Å²	134.2	84%	0.843	71%	0.712	S	S	*	*			trans	-56.6	91.7	177.4	0	0	0	0	0	110.8	V144	V144-A146 PolarHBondContact O-N 3.05Å
147	E	33.9	Very low	37.5	Very low	168 Å²	168	130.2 Å²	130.2	79%	0.785	70%	0.695	S	S	*	*			trans	-123.6	122	161.4	-75.4	-171.4	177	0	0	108.6	K145 S149	K145-E147 VanDerWaalsContact C-N 3.32Å; K145-E147 PolarHBondContact O-N 3.08Å; E147-S149 VanDerWaalsContact C-N 3.34Å; E147-S149 PolarHBondContact O-N 3.31Å
148	N	34.4	Very low	37.9	Very low	171 Å²	171	129 Å²	129	91%	0.914	69%	0.691	S	S	*	*			trans	-65.1	82	-173.3	-74.1	-36.5	0	0	0	111.8
149	S	40.3	Very low	38.5	Very low	95 Å²	95	127.6 Å²	127.6	66%	0.664	68%	0.683	S	S	*	*			trans	-144.5	105.8	164.8	-68.8	0	0	0	0	108.8	E147 N151	E147-S149 VanDerWaalsContact C-N 3.34Å; E147-S149 PolarHBondContact O-N 3.31Å; S149-N151 VanDerWaalsContact C-N 3.27Å; S149-N151 PolarHBondContact O-N 3.49Å
150	L	38.6	Very low	39.4	Very low	184 Å²	184	123 Å²	123	96%	0.963	67%	0.666	S	S	*	*			trans	-57.8	94.5	166.3	-81	93.4	0	0	0	107.5
151	N	44	Very low	40.2	Very low	114 Å²	114	122.9 Å²	122.9	61%	0.61	66%	0.66	S	S	*	*			trans	-95.6	149.7	-177.3	-133.7	3.1	0	0	0	110	S149 E153 A154	S149-N151 VanDerWaalsContact C-N 3.27Å; S149-N151 PolarHBondContact O-N 3.49Å; N151-E153 PolarHBondContact O-N 3.49Å; N151-A154 PolarHBondContact O-N 3.18Å
152	D	47.8	Very low	41	Very low	123 Å²	123	121 Å²	121	66%	0.658	65%	0.647	S	S	*	*	H	α-helix	trans	-53.3	-20.6	-178.4	-72.4	-36	0	0	0	114.4	A154 F155 K156	D152-A154 PolarHBondContact O-N 3.4Å; D152-F155 PolarHBondContact O-N 3.23Å; D152-K156 PolarHBondContact O-N 3.16Å
153	E	44.4	Very low	41.9	Very low	124 Å²	124	120.2 Å²	120.2	58%	0.579	64%	0.639	S	S	*	*	H	α-helix	trans	-58	-42.2	173.3	-88.1	-123.5	157	0	0	113.6	N151 F155 K156 K157	N151-E153 PolarHBondContact O-N 3.49Å; E153-F155 VanDerWaalsContact C-N 3.32Å; E153-K156 PolarHBondContact O-N 3.45Å; E153-K157 WeakPolarHBondContact O-CB 3.35Å; E153-K157 WeakPolarHBondContact O-CG 3.36Å; E153-K157 PolarHBondContact O-N 3.35Å; E153-K157 IonicContact OE2-NZ 3.34Å; E153-K157 PolarHBondContact OE2-NZ 2.9Å
154	A	40.9	Very low	42.9	Very low	60 Å²	60	117.2 Å²	117.2	50%	0.496	62%	0.62	S	S	.	*	H	α-helix	trans	-67.3	-39.2	179.9	0	0	0	0	0	110.4	N151 D152 K157 V158	N151-A154 PolarHBondContact O-N 3.18Å; D152-A154 PolarHBondContact O-N 3.4Å; A154-K157 PolarHBondContact O-N 2.94Å; A154-V158 WeakPolarHBondContact O-CG2 3.27Å; A154-V158 PolarHBondContact O-N 2.84Å
155	F	42.4	Very low	43.9	Very low	165 Å²	165	114.3 Å²	114.3	72%	0.724	60%	0.599	S	S	*	*	H	α-helix	trans	-66.5	-43.3	177.8	-119.3	-85.9	0	0	0	112.1	D152 E153 K157 V158 S159	D152-F155 PolarHBondContact O-N 3.23Å; E153-F155 VanDerWaalsContact C-N 3.32Å; F155-K157 VanDerWaalsContact C-N 3.33Å; F155-K157 PolarHBondContact O-N 3.07Å; F155-V158 PolarHBondContact O-N 2.87Å; F155-S159 PolarHBondContact O-N 3.16Å
156	K	45.4	Very low	44.9	Very low	152 Å²	152	109.1 Å²	109.1	66%	0.661	58%	0.58	S	S	*	*	H	α-helix	trans	-62.7	-37.5	173	-77.4	-176.6	178	178.1	0	112.7	D152 E153 S159 V160	D152-K156 PolarHBondContact O-N 3.16Å; E153-K156 PolarHBondContact O-N 3.45Å; K156-S159 PolarHBondContact O-N 2.83Å; K156-S159 PolarHBondContact O-OG 3.17Å; K156-V160 WeakPolarHBondContact O-CG2 3.42Å; K156-V160 PolarHBondContact O-N 3.3Å
157	K	44.6	Very low	46.3	Very low	88 Å²	88	109.8 Å²	109.8	38%	0.383	57%	0.569	S	S	.	*	H	α-helix	trans	-65.6	-39.6	176.5	-77.9	170.8	-178.1	161.5	0	111.7	E153 A154 F155 I161	E153-K157 WeakPolarHBondContact O-CB 3.35Å; E153-K157 WeakPolarHBondContact O-CG 3.36Å; E153-K157 PolarHBondContact O-N 3.35Å; E153-K157 IonicContact OE2-NZ 3.34Å; E153-K157 PolarHBondContact OE2-NZ 2.9Å; A154-K157 PolarHBondContact O-N 2.94Å; F155-K157 VanDerWaalsContact C-N 3.33Å; F155-K157 PolarHBondContact O-N 3.07Å; K157-I161 WeakPolarHBondContact O-CD1 3.34Å; K157-I161 VanDerWaalsContact O-CG1 3.27Å; K157-I161 WeakPolarHBondContact O-CG1 3.42Å; K157-I161 PolarHBondContact O-N 2.81Å
158	V	44.5	Very low	47.6	Very low	75 Å²	75	102.6 Å²	102.6	46%	0.455	54%	0.536	S	S	.	.	H	α-helix	trans	-66.9	-43.3	176	174.3	0	0	0	0	111.2	A154 F155 V160 I161 E162	A154-V158 WeakPolarHBondContact O-CG2 3.27Å; A154-V158 PolarHBondContact O-N 2.84Å; F155-V158 PolarHBondContact O-N 2.87Å; V158-V160 PolarHBondContact O-N 3.2Å; V158-I161 PolarHBondContact O-N 3.01Å; V158-E162 HydrophobicContact CG1-CG 4.34Å; V158-E162 PolarHBondContact O-N 3.12Å
159	S	45.6	Very low	48.9	Very low	46 Å²	46	97.2 Å²	97.2	32%	0.322	51%	0.505	S	S	.	.	H	α-helix	trans	-64.3	-40.1	-178.1	68.2	0	0	0	0	112.9	F155 K156 I161 E162 E163	F155-S159 PolarHBondContact O-N 3.16Å; K156-S159 PolarHBondContact O-N 2.83Å; K156-S159 PolarHBondContact O-OG 3.17Å; S159-I161 VanDerWaalsContact C-N 3.34Å; S159-I161 PolarHBondContact O-N 3.32Å; S159-E162 PolarHBondContact O-N 2.97Å; S159-E163 WeakPolarHBondContact O-CB 3.2Å; S159-E163 WeakPolarHBondContact O-CG 3.36Å; S159-E163 PolarHBondContact O-N 2.98Å
160	V	51.6	Low	50.1	Low	71 Å²	71	98 Å²	98	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-62.9	-43.1	176.5	174.3	0	0	0	0	110.9	K156 V158 E163 E164	K156-V160 WeakPolarHBondContact O-CG2 3.42Å; K156-V160 PolarHBondContact O-N 3.3Å; V158-V160 PolarHBondContact O-N 3.2Å; V160-E163 PolarHBondContact O-N 2.78Å; V160-E164 WeakPolarHBondContact O-CB 3.4Å; V160-E164 WeakPolarHBondContact O-CG 3.12Å; V160-E164 PolarHBondContact O-N 2.95Å
161	I	50.2	Low	51.6	Low	72 Å²	72	94.1 Å²	94.1	37%	0.369	48%	0.48	S	S	.	.	H	α-helix	trans	-64.4	-42	177.6	-66	166.6	0	0	0	110.7	K157 V158 S159 I165	K157-I161 WeakPolarHBondContact O-CD1 3.34Å; K157-I161 VanDerWaalsContact O-CG1 3.27Å; K157-I161 WeakPolarHBondContact O-CG1 3.42Å; K157-I161 PolarHBondContact O-N 2.81Å; V158-I161 PolarHBondContact O-N 3.01Å; S159-I161 VanDerWaalsContact C-N 3.34Å; S159-I161 PolarHBondContact O-N 3.32Å; I161-I165 HydrophobicContact CG2-CD1 3.57Å; I161-I165 HydrophobicContact CG2-CG1 4.27Å; I161-I165 WeakPolarHBondContact O-CB 3.33Å; I161-I165 WeakPolarHBondContact O-CG1 3.37Å; I161-I165 PolarHBondContact O-N 2.83Å
162	E	51.9	Low	53.3	Low	117 Å²	117	88.8 Å²	88.8	55%	0.547	45%	0.452	S	S	.	.	H	α-helix	trans	-65.8	-44.4	177.7	-76.8	-177	173.4	0	0	112.5	V158 S159 E164 N166	V158-E162 HydrophobicContact CG1-CG 4.34Å; V158-E162 PolarHBondContact O-N 3.12Å; S159-E162 PolarHBondContact O-N 2.97Å; E162-E164 VanDerWaalsContact C-N 3.34Å; E162-E164 PolarHBondContact O-N 3.01Å; E162-N166 VanDerWaalsContact O-CB 3.26Å; E162-N166 WeakPolarHBondContact O-CB 3.3Å; E162-N166 PolarHBondContact O-N 3.08Å; E162-N166 PolarHBondContact O-ND2 2.8Å; E162-N166 VanDerWaalsContact O-ND2 3.13Å
163	E	52.9	Low	54.9	Low	137 Å²	137	87.1 Å²	87.1	64%	0.64	45%	0.446	S	S	*	.	H	α-helix	trans	-61.5	-41	176.4	-75.7	179.2	-179.8	0	0	111.9	S159 V160 N166 L167	S159-E163 WeakPolarHBondContact O-CB 3.2Å; S159-E163 WeakPolarHBondContact O-CG 3.36Å; S159-E163 PolarHBondContact O-N 2.98Å; V160-E163 PolarHBondContact O-N 2.78Å; E163-N166 WeakPolarHBondContact O-CB 3.48Å; E163-N166 PolarHBondContact O-N 2.93Å; E163-L167 PolarHBondContact O-N 2.74Å
164	E	54.1	Low	56.9	Low	76 Å²	76	83.9 Å²	83.9	36%	0.355	44%	0.437	S	S	.	.	H	α-helix	trans	-74	-38.7	179.2	-73	179	157.5	0	0	113.1	P135 V160 E162 N166 L167 L168	P135-E164 WeakPolarHBondContact CB-OE2 3.44Å; P135-E164 HydrophobicContact CG-CB 4.26Å; P135-E164 HydrophobicContact CG-CG 4.42Å; P135-E164 WeakPolarHBondContact CG-OE2 3.28Å; V160-E164 WeakPolarHBondContact O-CB 3.4Å; V160-E164 WeakPolarHBondContact O-CG 3.12Å; V160-E164 PolarHBondContact O-N 2.95Å; E162-E164 VanDerWaalsContact C-N 3.34Å; E162-E164 PolarHBondContact O-N 3.01Å; E164-N166 VanDerWaalsContact C-N 3.29Å; E164-L167 WeakPolarHBondContact O-CB 3.32Å; E164-L167 PolarHBondContact O-N 3.28Å; E164-L168 PolarHBondContact O-N 3.13Å
165	I	53.2	Low	59.2	Low	68 Å²	68	81.5 Å²	81.5	35%	0.349	42%	0.417	S	S	.	.	H	α-helix	trans	-60.3	-44.4	170.6	-71.5	169.7	0	0	0	109.3	I161 L167 L168 E169	I161-I165 HydrophobicContact CG2-CD1 3.57Å; I161-I165 HydrophobicContact CG2-CG1 4.27Å; I161-I165 WeakPolarHBondContact O-CB 3.33Å; I161-I165 WeakPolarHBondContact O-CG1 3.37Å; I161-I165 PolarHBondContact O-N 2.83Å; I165-L167 VanDerWaalsContact C-N 3.3Å; I165-L167 PolarHBondContact O-N 2.81Å; I165-L168 PolarHBondContact O-N 3.05Å; I165-E169 HydrophobicContact CG2-CG 4.31Å; I165-E169 VanDerWaalsContact O-CB 3.3Å; I165-E169 WeakPolarHBondContact O-CB 3.19Å; I165-E169 VanDerWaalsContact O-CG 3.31Å; I165-E169 WeakPolarHBondContact O-CG 3.43Å; I165-E169 PolarHBondContact O-N 3.12Å
166	N	53.2	Low	61.3	Low	83 Å²	83	74.8 Å²	74.8	44%	0.444	39%	0.39	S	S	.	.	H	α-helix	trans	-61.3	-38.1	175.5	-79.7	-32.2	0	0	0	112	E162 E163 E164 E169 N170	E162-N166 VanDerWaalsContact O-CB 3.26Å; E162-N166 WeakPolarHBondContact O-CB 3.3Å; E162-N166 PolarHBondContact O-N 3.08Å; E162-N166 PolarHBondContact O-ND2 2.8Å; E162-N166 VanDerWaalsContact O-ND2 3.13Å; E163-N166 WeakPolarHBondContact O-CB 3.48Å; E163-N166 PolarHBondContact O-N 2.93Å; E164-N166 VanDerWaalsContact C-N 3.29Å; N166-E169 PolarHBondContact O-N 3.08Å; N166-N170 WeakPolarHBondContact O-CB 3.45Å; N166-N170 PolarHBondContact O-N 3.4Å; N166-N170 PolarHBondContact O-ND2 3.17Å; N166-N170 VanDerWaalsContact O-ND2 3.1Å
167	L	59.6	Low	63.2	Low	116 Å²	116	68.6 Å²	68.6	61%	0.607	36%	0.364	S	S	*	.	H	α-helix	trans	-63.6	-50.9	177	-162.9	80.6	0	0	0	111.4	E163 E164 I165 E169 N170 M171	E163-L167 PolarHBondContact O-N 2.74Å; E164-L167 WeakPolarHBondContact O-CB 3.32Å; E164-L167 PolarHBondContact O-N 3.28Å; I165-L167 VanDerWaalsContact C-N 3.3Å; I165-L167 PolarHBondContact O-N 2.81Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-E169 PolarHBondContact O-N 3.33Å; L167-N170 PolarHBondContact O-N 2.85Å; L167-M171 WeakPolarHBondContact O-CG 3.24Å; L167-M171 PolarHBondContact O-N 2.82Å; L167-M171 VanDerWaalsContact O-N 3.15Å
168	L	60.1	Low	65	Low	17 Å²	17	64.4 Å²	64.4	9%	0.089	35%	0.346	C	S	.	.	H	α-helix	trans	-59.6	-43.2	176.1	-100.5	131.9	0	0	0	111.9	P79 I81 L132 E164 I165 N170 M171 V172	P79-L168 HydrophobicContact CB-CD1 4.16Å; P79-L168 HydrophobicContact CB-CD2 4.04Å; P79-L168 HydrophobicContact CG-CD1 3.88Å; P79-L168 HydrophobicContact CG-CD2 4.05Å; I81-L168 HydrophobicContact CD1-CD2 4Å; L132-L168 HydrophobicContact CB-CD2 4.22Å; L132-L168 HydrophobicContact CD1-CD2 3.85Å; L132-L168 HydrophobicContact CD2-CD2 3.61Å; L132-L168 HydrophobicContact CD2-CG 4.29Å; L132-L168 HydrophobicContact CG-CD2 4.09Å; E164-L168 PolarHBondContact O-N 3.13Å; I165-L168 PolarHBondContact O-N 3.05Å; L168-N170 VanDerWaalsContact C-N 3.31Å; L168-N170 PolarHBondContact O-N 3.27Å; L168-M171 PolarHBondContact O-N 2.58Å; L168-V172 PolarHBondContact O-N 3.21Å
169	E	61.6	Low	66.8	Low	58 Å²	58	62.5 Å²	62.5	27%	0.271	33%	0.333	S	S	.	.	H	α-helix	trans	-59.2	-44	175.8	-81.9	-169.9	-176.9	0	0	111	K83 I165 N166 L167 M171 V172	K83-E169 WeakPolarHBondContact CD-O 3.38Å; K83-E169 WeakPolarHBondContact CE-O 3.45Å; K83-E169 PolarHBondContact NZ-O 2.86Å; I165-E169 HydrophobicContact CG2-CG 4.31Å; I165-E169 VanDerWaalsContact O-CB 3.3Å; I165-E169 WeakPolarHBondContact O-CB 3.19Å; I165-E169 VanDerWaalsContact O-CG 3.31Å; I165-E169 WeakPolarHBondContact O-CG 3.43Å; I165-E169 PolarHBondContact O-N 3.12Å; N166-E169 PolarHBondContact O-N 3.08Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-E169 PolarHBondContact O-N 3.33Å; E169-M171 VanDerWaalsContact C-N 3.31Å; E169-M171 PolarHBondContact O-N 2.97Å; E169-V172 PolarHBondContact O-N 2.87Å
170	N	66.2	Low	68.7	Low	112 Å²	112	60.5 Å²	60.5	60%	0.599	32%	0.319	S	S	*	.	H	α-helix	trans	-69.4	-24.9	-179	-71.1	-25.2	0	0	0	114	N166 L167 L168	N166-N170 WeakPolarHBondContact O-CB 3.45Å; N166-N170 PolarHBondContact O-N 3.4Å; N166-N170 PolarHBondContact O-ND2 3.17Å; N166-N170 VanDerWaalsContact O-ND2 3.1Å; L167-N170 PolarHBondContact O-N 2.85Å; L168-N170 VanDerWaalsContact C-N 3.31Å; L168-N170 PolarHBondContact O-N 3.27Å
171	M	70	Confident	70.4	Confident	102 Å²	102	58.9 Å²	58.9	50%	0.502	31%	0.311	S	S	.	.	H	α-helix	trans	-76.3	-29.3	178.8	-69	179.9	80.7	0	0	113.8	V130 L167 L168 E169	V130-M171 HydrophobicContact CG1-CE 3.73Å; L167-M171 WeakPolarHBondContact O-CG 3.24Å; L167-M171 PolarHBondContact O-N 2.82Å; L167-M171 VanDerWaalsContact O-N 3.15Å; L168-M171 PolarHBondContact O-N 2.58Å; E169-M171 VanDerWaalsContact C-N 3.31Å; E169-M171 PolarHBondContact O-N 2.97Å
172	V	79.7	Confident	72.3	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.012	30%	0.295	C	S	.	.			trans	-109	89.5	-173	-173	0	0	0	0	110.6	F52 I81 L95 L168 E169	F52-V172 HydrophobicContact CB-CG1 4.18Å; F52-V172 HydrophobicContact CD1-CG1 4.04Å; F52-V172 HydrophobicContact CD2-CG1 3.53Å; F52-V172 HydrophobicContact CD2-CG2 4.24Å; F52-V172 HydrophobicContact CE1-CG1 4.34Å; F52-V172 HydrophobicContact CE2-CB 4.49Å; F52-V172 HydrophobicContact CE2-CG1 3.86Å; F52-V172 HydrophobicContact CE2-CG2 3.97Å; F52-V172 HydrophobicContact CG-CG1 3.64Å; F52-V172 HydrophobicContact CZ-CG1 4.27Å; I81-V172 HydrophobicContact CD1-CB 4.43Å; I81-V172 HydrophobicContact CD1-CG2 4.05Å; I81-V172 HydrophobicContact CG2-CB 4.46Å; I81-V172 HydrophobicContact CG2-CG1 4.47Å; L95-V172 HydrophobicContact CD1-CG1 4.21Å; L168-V172 PolarHBondContact O-N 3.21Å; E169-V172 PolarHBondContact O-N 2.87Å
173	T	81.6	Confident	74.3	Confident	88 Å²	88	50.3 Å²	50.3	54%	0.54	27%	0.271	S	S	.	.	S	Bend	trans	-104.1	-16.5	-179.2	55	0	0	0	0	114.4
174	S	86	Confident	76.2	Confident	56 Å²	56	44.3 Å²	44.3	39%	0.392	24%	0.242	S	C	.	.	S	Bend	trans	-148.8	170	-179.2	61.5	0	0	0	0	109.8	C176	S174-C176 PolarHBondContact O-N 2.75Å
175	P	88.8	Confident	78.1	Confident	11 Å²	11	43.9 Å²	43.9	7%	0.071	24%	0.24	C	C	.	.	S	Bend	trans	-53	128.5	175.3	-29.1	38.1	0	0	0	111.5	F52 Y85 L95 D119 P121	F52-P175 CarbonylContact O-C 3.52Å; F52-P175 WeakPolarHBondContact O-CA 3.34Å; F52-P175 VanDerWaalsContact O-CB 3.24Å; F52-P175 WeakPolarHBondContact O-CB 3.31Å; Y85-P175 HydrophobicContact CE1-CG 4.17Å; Y85-P175 VanDerWaalsContact CZ-CD 3.4Å; Y85-P175 VanDerWaalsContact OH-CD 3.29Å; Y85-P175 WeakPolarHBondContact OH-CD 3.2Å; Y85-P175 WeakPolarHBondContact OH-CG 3.31Å; L95-P175 HydrophobicContact CD2-CG 4.13Å; D119-P175 HydrophobicContact CB-CG 4.29Å; P121-P175 HydrophobicContact CG-CB 4.19Å
176	C	86.5	Confident	80	Confident	23 Å²	23	40.7 Å²	40.7	16%	0.155	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	157.7	-178.8	63.7	0	0	0	0	111.3	F52 S174	F52-C176 PolarHBondContact N-O 2.94Å; F52-C176 PolarHBondContact O-N 2.89Å; S174-C176 PolarHBondContact O-N 2.75Å
177	L	84.5	Confident	82	Confident	23 Å²	23	36.9 Å²	36.9	12%	0.12	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	136	170.4	-173.5	74.6	0	0	0	109.1	M50 I51 M100 L127 P129 V130	M50-L177 VanDerWaalsContact O-CD1 3.31Å; M50-L177 WeakPolarHBondContact O-CD1 3.4Å; I51-L177 HydrophobicContact CB-CD1 4.34Å; M100-L177 HydrophobicContact CE-CD1 4.31Å; M100-L177 HydrophobicContact CG-CD1 4.1Å; M100-L177 HydrophobicContact SD-CD1 4.2Å; L127-L177 HydrophobicContact CB-CB 4.04Å; L127-L177 HydrophobicContact CB-CD2 3.93Å; L127-L177 HydrophobicContact CD1-CB 3.66Å; L127-L177 HydrophobicContact CD1-CD2 4.47Å; L127-L177 HydrophobicContact CG-CB 4.4Å; P129-L177 HydrophobicContact CB-CD2 3.96Å; P129-L177 HydrophobicContact CB-CG 4.09Å; P129-L177 HydrophobicContact CG-CD2 3.69Å; P129-L177 HydrophobicContact CG-CG 4.35Å; V130-L177 PolarHBondContact N-O 2.79Å
178	V	83.3	Confident	83.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.2	-178.8	-58.5	0	0	0	0	110.5	M50 F52 L97 V130 L132 I180	M50-V178 HydrophobicContact CB-CG2 3.93Å; M50-V178 PolarHBondContact N-O 2.85Å; M50-V178 PolarHBondContact O-N 3.27Å; F52-V178 HydrophobicContact CD2-CG1 3.74Å; F52-V178 HydrophobicContact CD2-CG2 4.04Å; F52-V178 HydrophobicContact CE2-CG1 3.97Å; F52-V178 HydrophobicContact CE2-CG2 3.99Å; L97-V178 HydrophobicContact CD1-CG2 3.78Å; V130-V178 HydrophobicContact CB-CG1 4.25Å; V130-V178 CarbonylContact O-C 3.57Å; V130-V178 WeakPolarHBondContact O-CA 3.3Å; L132-V178 HydrophobicContact CD1-CB 3.78Å; L132-V178 HydrophobicContact CD1-CG1 3.83Å; L132-V178 HydrophobicContact CD1-CG2 4.07Å; L132-V178 HydrophobicContact CG-CB 4.1Å; L132-V178 HydrophobicContact CG-CG1 4.26Å; V178-I180 HydrophobicContact CG2-CD1 4.26Å; V178-I180 HydrophobicContact CG2-CG1 3.99Å
179	N	82.9	Confident	85.2	Confident	34 Å²	34	32.3 Å²	32.3	18%	0.182	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110.1	169.8	-84.4	-17.6	0	0	0	108.4	P129 V130 D131 L132	P129-N179 HydrophobicContact CB-CB 4.17Å; P129-N179 VanDerWaalsContact CB-CG 3.47Å; P129-N179 WeakPolarHBondContact CB-ND2 3.26Å; V130-N179 PolarHBondContact O-N 2.72Å; D131-N179 WeakPolarHBondContact OD1-CB 3.33Å; L132-N179 PolarHBondContact N-O 3.16Å
180	I	84	Confident	86.7	Confident	5 Å²	5	34.6 Å²	34.6	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.2	179.9	-55.3	-163.4	0	0	0	108.9	K47 V48 M50 L78 L97 L132 V134 V178 V182	K47-I180 CarbonylContact C-O 3.59Å; K47-I180 WeakPolarHBondContact CA-O 3.47Å; V48-I180 PolarHBondContact N-O 3.46Å; V48-I180 PolarHBondContact O-N 3.08Å; M50-I180 HydrophobicContact CB-CD1 4.42Å; M50-I180 HydrophobicContact CB-CG1 4.47Å; M50-I180 HydrophobicContact CE-CB 4.22Å; M50-I180 HydrophobicContact CE-CD1 4.12Å; M50-I180 HydrophobicContact CE-CG1 4.44Å; M50-I180 HydrophobicContact CG-CD1 4.29Å; M50-I180 HydrophobicContact CG-CG1 4.34Å; M50-I180 HydrophobicContact SD-CD1 3.57Å; M50-I180 VanDerWaalsContact SD-CD1 3.57Å; M50-I180 HydrophobicContact SD-CG1 4.17Å; L78-I180 HydrophobicContact CD1-CD1 4.47Å; L78-I180 HydrophobicContact CD2-CG2 3.87Å; L97-I180 HydrophobicContact CD1-CD1 4.11Å; L97-I180 HydrophobicContact CD2-CD1 3.44Å; L97-I180 VanDerWaalsContact CD2-CD1 3.44Å; L97-I180 HydrophobicContact CG-CD1 4.34Å; L132-I180 HydrophobicContact CB-CG1 4.45Å; V134-I180 HydrophobicContact CG2-CG2 3.71Å; V178-I180 HydrophobicContact CG2-CD1 4.26Å; V178-I180 HydrophobicContact CG2-CG1 3.99Å; I180-V182 HydrophobicContact CG2-CG1 3.93Å; I180-V182 PolarHBondContact O-N 3.49Å
181	S	87.4	Confident	88	Confident	37 Å²	37	31.6 Å²	31.6	26%	0.259	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110.8	170.6	-61	0	0	0	0	108.8	L132 V134	L132-S181 PolarHBondContact O-N 3.16Å; L132-S181 VanDerWaalsContact O-N 3.09Å; V134-S181 WeakPolarHBondContact CB-O 3.43Å; V134-S181 WeakPolarHBondContact CG2-O 3.46Å
182	V	91.5	Very high	89.1	Confident	5 Å²	5	26.7 Å²	26.7	3%	0.03	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.5	175.7	-58.1	0	0	0	0	110.1	K45 R46 V48 F75 L78 I180 N186 F187	K45-V182 WeakPolarHBondContact CA-O 3.22Å; R46-V182 HydrophobicContact CG-CG2 3.57Å; R46-V182 PolarHBondContact N-O 3.36Å; R46-V182 WeakPolarHBondContact O-CG2 3.12Å; R46-V182 PolarHBondContact O-N 2.91Å; V48-V182 HydrophobicContact CG2-CG1 4.44Å; V48-V182 HydrophobicContact CG2-CG2 3.71Å; F75-V182 HydrophobicContact CD1-CB 4.48Å; F75-V182 HydrophobicContact CD1-CG1 4.38Å; F75-V182 HydrophobicContact CD2-CG1 3.86Å; F75-V182 HydrophobicContact CE1-CG2 4.09Å; F75-V182 HydrophobicContact CE2-CG1 4.12Å; F75-V182 HydrophobicContact CE2-CG2 4.41Å; F75-V182 HydrophobicContact CG-CG1 4.02Å; F75-V182 HydrophobicContact CZ-CG1 4.48Å; F75-V182 HydrophobicContact CZ-CG2 4.02Å; L78-V182 HydrophobicContact CD2-CG1 4.31Å; I180-V182 HydrophobicContact CG2-CG1 3.93Å; I180-V182 PolarHBondContact O-N 3.49Å; V182-N186 WeakPolarHBondContact CA-OD1 3.46Å; V182-N186 HydrophobicContact CB-CB 4.09Å; V182-N186 HydrophobicContact CG1-CB 4.4Å; V182-F187 HydrophobicContact CG2-CE2 4.07Å; V182-F187 HydrophobicContact CG2-CZ 4.37Å
183	G	92.9	Very high	89.7	Confident	4 Å²	4	27 Å²	27	4%	0.041	15%	0.151	C	C	.	.			trans	-124.5	-176	172.8	0	0	0	0	0	111.5	E185 N186 F187	G183-E185 VanDerWaalsContact CA-OE1 3.24Å; G183-E185 WeakPolarHBondContact CA-OE1 3.32Å; G183-E185 PolarHBondContact N-OE1 3.49Å; G183-E185 PolarHBondContact O-N 2.99Å; G183-E185 VanDerWaalsContact O-N 3.17Å; G183-N186 PolarHBondContact N-OD1 3.41Å; G183-N186 WeakPolarHBondContact O-CB 3.26Å; G183-N186 PolarHBondContact O-N 2.95Å; G183-F187 WeakPolarHBondContact O-CD2 3.34Å
184	Y	94.2	Very high	90.2	Very high	10 Å²	10	30.8 Å²	30.8	4%	0.039	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-45.3	-51.6	-178.7	174.7	-105.8	0	0	0	111.3	L39 R41 F44 N186 F187 V192 D235 K236	L39-Y184 HydrophobicContact CD2-CD2 4.26Å; L39-Y184 HydrophobicContact CD2-CE2 3.48Å; L39-Y184 VanDerWaalsContact CD2-CE2 3.48Å; R41-Y184 HydrophobicContact CB-CG 4.22Å; R41-Y184 HydrophobicContact CG-CD1 3.96Å; R41-Y184 HydrophobicContact CG-CD2 4.2Å; R41-Y184 HydrophobicContact CG-CG 3.78Å; F44-Y184 AromaticContact CD2-CD2 3.65Å; F44-Y184 HydrophobicContact CD2-CD2 3.65Å; F44-Y184 HydrophobicContact CD2-CG 4.45Å; F44-Y184 AromaticContact CE2-CD2 3.85Å; F44-Y184 HydrophobicContact CE2-CD2 3.85Å; F44-Y184 HydrophobicContact CE2-CE2 4.33Å; F44-Y184 HydrophobicContact CG-CD2 4.11Å; F44-Y184 HydrophobicContact CZ-CD2 4.47Å; Y184-N186 PolarHBondContact O-N 3.43Å; Y184-F187 PolarHBondContact O-N 2.99Å; Y184-V192 HydrophobicContact CD2-CG2 4.11Å; Y184-V192 HydrophobicContact CE2-CB 4.45Å; Y184-V192 HydrophobicContact CE2-CG1 3.75Å; Y184-V192 HydrophobicContact CE2-CG2 3.78Å; Y184-D235 HydrophobicContact CE1-CB 3.93Å; Y184-D235 WeakPolarHBondContact OH-CB 3.37Å; Y184-D235 PolarHBondContact OH-OD2 3.25Å; Y184-K236 VanDerWaalsContact C-NZ 3.34Å; Y184-K236 HydrophobicContact CE1-CD 4.39Å; Y184-K236 VanDerWaalsContact CZ-CE 3.42Å; Y184-K236 PolarHBondContact O-NZ 2.9Å
185	E	92.8	Very high	90.5	Very high	68 Å²	68	30.5 Å²	30.5	32%	0.318	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-48.4	-27.2	178.5	66.4	-71.8	168.3	0	0	115.5	G183	G183-E185 VanDerWaalsContact CA-OE1 3.24Å; G183-E185 WeakPolarHBondContact CA-OE1 3.32Å; G183-E185 PolarHBondContact N-OE1 3.49Å; G183-E185 PolarHBondContact O-N 2.99Å; G183-E185 VanDerWaalsContact O-N 3.17Å
186	N	93.8	Very high	90.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-87.5	-9	-178.9	-58.2	120.3	0	0	0	113.9	F75 I76 R77 V182 G183 Y184	F75-N186 CarbonylContact C-O 3.5Å; F75-N186 VanDerWaalsContact CA-O 3.26Å; F75-N186 WeakPolarHBondContact CA-O 3.44Å; F75-N186 HydrophobicContact CB-CB 4.15Å; F75-N186 WeakPolarHBondContact CB-O 3.36Å; F75-N186 HydrophobicContact CD1-CB 4.39Å; I76-N186 VanDerWaalsContact CG1-O 3.3Å; I76-N186 WeakPolarHBondContact CG1-O 3.41Å; I76-N186 PolarHBondContact N-O 3.18Å; I76-N186 VanDerWaalsContact O-CA 3.31Å; I76-N186 WeakPolarHBondContact O-CA 3.22Å; I76-N186 PolarHBondContact O-ND2 3.23Å; I76-N186 VanDerWaalsContact O-ND2 3.08Å; R77-N186 PolarHBondContact O-ND2 3.26Å; V182-N186 WeakPolarHBondContact CA-OD1 3.46Å; V182-N186 HydrophobicContact CB-CB 4.09Å; V182-N186 HydrophobicContact CG1-CB 4.4Å; G183-N186 PolarHBondContact N-OD1 3.41Å; G183-N186 WeakPolarHBondContact O-CB 3.26Å; G183-N186 PolarHBondContact O-N 2.95Å; Y184-N186 PolarHBondContact O-N 3.43Å
187	F	94.7	Very high	90.7	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.013	15%	0.146	C	C	.	.	S	Bend	trans	-90.3	144.5	177	-68.7	-109.9	0	0	0	111	F44 F75 V182 G183 Y184 Q191 V192 E195 K236	F44-F187 HydrophobicContact CB-CD2 4.17Å; F44-F187 HydrophobicContact CB-CE2 3.88Å; F44-F187 HydrophobicContact CB-CZ 4.45Å; F44-F187 AromaticContact CD1-CD1 3.99Å; F44-F187 HydrophobicContact CD1-CD1 3.99Å; F44-F187 AromaticContact CD1-CD2 3.9Å; F44-F187 HydrophobicContact CD1-CD2 3.9Å; F44-F187 HydrophobicContact CD1-CE1 4.02Å; F44-F187 AromaticContact CD1-CE2 3.96Å; F44-F187 HydrophobicContact CD1-CE2 3.96Å; F44-F187 AromaticContact CD1-CG 3.94Å; F44-F187 HydrophobicContact CD1-CG 3.94Å; F44-F187 HydrophobicContact CD1-CZ 4.01Å; F44-F187 HydrophobicContact CE1-CD1 4.39Å; F44-F187 HydrophobicContact CG-CD2 4.41Å; F44-F187 HydrophobicContact CG-CE2 4.41Å; F75-F187 HydrophobicContact CD1-CD1 4.49Å; F75-F187 HydrophobicContact CD1-CD2 4.31Å; F75-F187 HydrophobicContact CD1-CE1 4.45Å; F75-F187 HydrophobicContact CD1-CE2 4.25Å; F75-F187 HydrophobicContact CD1-CG 4.43Å; F75-F187 HydrophobicContact CD1-CZ 4.33Å; F75-F187 HydrophobicContact CE1-CD1 4.08Å; F75-F187 HydrophobicContact CE1-CD2 4.26Å; F75-F187 AromaticContact CE1-CE1 3.65Å; F75-F187 HydrophobicContact CE1-CE1 3.65Å; F75-F187 AromaticContact CE1-CE2 3.83Å; F75-F187 HydrophobicContact CE1-CE2 3.83Å; F75-F187 HydrophobicContact CE1-CG 4.38Å; F75-F187 AromaticContact CE1-CZ 3.51Å; F75-F187 HydrophobicContact CE1-CZ 3.51Å; F75-F187 HydrophobicContact CZ-CZ 4.32Å; V182-F187 HydrophobicContact CG2-CE2 4.07Å; V182-F187 HydrophobicContact CG2-CZ 4.37Å; G183-F187 WeakPolarHBondContact O-CD2 3.34Å; Y184-F187 PolarHBondContact O-N 2.99Å; F187-Q191 HydrophobicContact CB-CB 4.26Å; F187-Q191 HydrophobicContact CD1-CB 3.98Å; F187-V192 HydrophobicContact CB-CG2 3.53Å; F187-V192 HydrophobicContact CG-CG2 4.44Å; F187-E195 WeakPolarHBondContact CE1-OE1 3.4Å; F187-K236 VanDerWaalsContact O-CE 3.26Å; F187-K236 WeakPolarHBondContact O-CE 3.24Å; F187-K236 PolarHBondContact O-NZ 2.8Å
188	T	93.5	Very high	90.9	Very high	32 Å²	32	29.2 Å²	29.2	20%	0.196	14%	0.144	C	C	.	.			trans	-72.5	165.8	168.9	79.4	0	0	0	0	111.1	I76 E190 Q191 V192	I76-T188 HydrophobicContact CG2-CG2 3.72Å; T188-E190 VanDerWaalsContact C-N 3.32Å; T188-E190 WeakPolarHBondContact CB-OE2 3.32Å; T188-E190 PolarHBondContact O-N 3.32Å; T188-E190 PolarHBondContact OG1-N 2.94Å; T188-E190 PolarHBondContact OG1-OE2 3.42Å; T188-Q191 PolarHBondContact O-N 2.93Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.13Å; T188-Q191 PolarHBondContact OG1-N 3.27Å; T188-V192 WeakPolarHBondContact O-CG2 3.4Å; T188-V192 PolarHBondContact O-N 2.86Å
189	F	93.8	Very high	91.1	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.022	18%	0.18	C	C	.	.	H	α-helix	trans	-52.1	-51.3	172.5	171	-99.7	0	0	0	111.4	Q191 V192 I193 F216 I229 V232 A233 K236 I237	F189-Q191 VanDerWaalsContact C-N 3.3Å; F189-Q191 PolarHBondContact O-N 3.03Å; F189-V192 PolarHBondContact O-N 3.33Å; F189-I193 HydrophobicContact CD1-CG1 4.38Å; F189-I193 HydrophobicContact CD2-CG1 4.08Å; F189-I193 HydrophobicContact CE1-CG1 4Å; F189-I193 HydrophobicContact CE2-CD1 3.96Å; F189-I193 HydrophobicContact CE2-CG1 3.65Å; F189-I193 HydrophobicContact CG-CG1 4.4Å; F189-I193 HydrophobicContact CZ-CD1 4.17Å; F189-I193 HydrophobicContact CZ-CG1 3.62Å; F189-I193 WeakPolarHBondContact O-CB 3.48Å; F189-I193 VanDerWaalsContact O-CG1 3.29Å; F189-I193 WeakPolarHBondContact O-CG1 3.49Å; F189-I193 PolarHBondContact O-N 3.29Å; F189-F216 HydrophobicContact CE2-CZ 4.25Å; F189-F216 AromaticContact CZ-CE1 3.96Å; F189-F216 HydrophobicContact CZ-CE1 3.96Å; F189-F216 AromaticContact CZ-CZ 3.77Å; F189-F216 HydrophobicContact CZ-CZ 3.77Å; F189-I229 HydrophobicContact CZ-CG2 4.24Å; F189-V232 HydrophobicContact CD2-CB 4.49Å; F189-V232 HydrophobicContact CD2-CG1 3.77Å; F189-V232 HydrophobicContact CE2-CB 4.48Å; F189-V232 HydrophobicContact CE2-CG1 4.14Å; F189-A233 HydrophobicContact CD2-CB 4.2Å; F189-A233 HydrophobicContact CE2-CB 3.75Å; F189-K236 HydrophobicContact CB-CB 3.93Å; F189-K236 HydrophobicContact CB-CG 4.48Å; F189-I237 HydrophobicContact CB-CD1 3.75Å; F189-I237 HydrophobicContact CG-CD1 4.15Å
190	E	92.9	Very high	91.3	Very high	106 Å²	106	41.1 Å²	41.1	50%	0.495	20%	0.201	S	C	.	.	H	α-helix	trans	-62.1	-39.1	-176.4	-58.2	74.1	-161.9	0	0	111.8	T188 K194	T188-E190 VanDerWaalsContact C-N 3.32Å; T188-E190 WeakPolarHBondContact CB-OE2 3.32Å; T188-E190 PolarHBondContact O-N 3.32Å; T188-E190 PolarHBondContact OG1-N 2.94Å; T188-E190 PolarHBondContact OG1-OE2 3.42Å; E190-K194 VanDerWaalsContact O-CB 3.25Å; E190-K194 WeakPolarHBondContact O-CB 3.12Å; E190-K194 PolarHBondContact O-N 3.42Å
191	Q	93	Very high	91.5	Very high	48 Å²	48	41.7 Å²	41.7	22%	0.224	20%	0.204	C	C	.	.	H	α-helix	trans	-67.7	-46.4	178.3	-67.9	167	-14.4	0	0	111.5	P74 F187 T188 F189 I193 K194 E195	P74-Q191 PolarHBondContact O-NE2 3.06Å; F187-Q191 HydrophobicContact CB-CB 4.26Å; F187-Q191 HydrophobicContact CD1-CB 3.98Å; T188-Q191 PolarHBondContact O-N 2.93Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.13Å; T188-Q191 PolarHBondContact OG1-N 3.27Å; F189-Q191 VanDerWaalsContact C-N 3.3Å; F189-Q191 PolarHBondContact O-N 3.03Å; Q191-I193 PolarHBondContact O-N 3.49Å; Q191-K194 PolarHBondContact O-N 2.74Å; Q191-E195 PolarHBondContact O-N 2.64Å
192	V	93.9	Very high	91.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.7	-48.6	176.5	172.1	0	0	0	0	110.4	F44 Y184 F187 T188 F189 K194 E195 L196 V232	F44-V192 HydrophobicContact CE1-CB 4.32Å; F44-V192 HydrophobicContact CE1-CG1 4.29Å; F44-V192 HydrophobicContact CE1-CG2 4.01Å; F44-V192 HydrophobicContact CE2-CG1 4.43Å; F44-V192 HydrophobicContact CZ-CB 4.29Å; F44-V192 HydrophobicContact CZ-CG1 3.76Å; F44-V192 HydrophobicContact CZ-CG2 4.23Å; Y184-V192 HydrophobicContact CD2-CG2 4.11Å; Y184-V192 HydrophobicContact CE2-CB 4.45Å; Y184-V192 HydrophobicContact CE2-CG1 3.75Å; Y184-V192 HydrophobicContact CE2-CG2 3.78Å; F187-V192 HydrophobicContact CB-CG2 3.53Å; F187-V192 HydrophobicContact CG-CG2 4.44Å; T188-V192 WeakPolarHBondContact O-CG2 3.4Å; T188-V192 PolarHBondContact O-N 2.86Å; F189-V192 PolarHBondContact O-N 3.33Å; V192-K194 VanDerWaalsContact C-N 3.32Å; V192-K194 PolarHBondContact O-N 3.02Å; V192-E195 PolarHBondContact O-N 3.41Å; V192-L196 HydrophobicContact CG1-CD1 3.57Å; V192-L196 HydrophobicContact CG1-CG 4.19Å; V192-L196 VanDerWaalsContact O-CG 3.3Å; V192-L196 WeakPolarHBondContact O-CG 3.24Å; V192-L196 PolarHBondContact O-N 3.31Å; V192-V232 HydrophobicContact CB-CG1 3.8Å; V192-V232 HydrophobicContact CG1-CB 4.25Å; V192-V232 HydrophobicContact CG1-CG1 3.44Å; V192-V232 VanDerWaalsContact CG1-CG1 3.44Å; V192-V232 HydrophobicContact CG1-CG2 3.67Å
193	I	93.1	Very high	91.1	Very high	9 Å²	9	49.3 Å²	49.3	5%	0.046	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-44.1	179.2	-67.6	-55	0	0	0	111.1	F189 Q191 E195 L196 L197 I204 I229 V232	F189-I193 HydrophobicContact CD1-CG1 4.38Å; F189-I193 HydrophobicContact CD2-CG1 4.08Å; F189-I193 HydrophobicContact CE1-CG1 4Å; F189-I193 HydrophobicContact CE2-CD1 3.96Å; F189-I193 HydrophobicContact CE2-CG1 3.65Å; F189-I193 HydrophobicContact CG-CG1 4.4Å; F189-I193 HydrophobicContact CZ-CD1 4.17Å; F189-I193 HydrophobicContact CZ-CG1 3.62Å; F189-I193 WeakPolarHBondContact O-CB 3.48Å; F189-I193 VanDerWaalsContact O-CG1 3.29Å; F189-I193 WeakPolarHBondContact O-CG1 3.49Å; F189-I193 PolarHBondContact O-N 3.29Å; Q191-I193 PolarHBondContact O-N 3.49Å; I193-E195 VanDerWaalsContact C-N 3.32Å; I193-E195 PolarHBondContact O-N 2.67Å; I193-L196 PolarHBondContact O-N 3.26Å; I193-L197 HydrophobicContact CG2-CD1 3.58Å; I193-L197 HydrophobicContact CG2-CG 4.01Å; I193-L197 VanDerWaalsContact O-CB 3.31Å; I193-L197 WeakPolarHBondContact O-CB 3.3Å; I193-L197 WeakPolarHBondContact O-CG 3.25Å; I193-L197 PolarHBondContact O-N 3.37Å; I193-I204 HydrophobicContact CG2-CB 4.44Å; I193-I204 HydrophobicContact CG2-CG1 3.83Å; I193-I229 HydrophobicContact CD1-CB 4.35Å; I193-I229 HydrophobicContact CD1-CG1 4.05Å; I193-I229 HydrophobicContact CD1-CG2 4.43Å; I193-V232 HydrophobicContact CD1-CB 3.94Å; I193-V232 HydrophobicContact CD1-CG1 3.89Å; I193-V232 HydrophobicContact CD1-CG2 4.29Å; I193-V232 HydrophobicContact CG1-CG1 4.21Å
194	K	91.4	Very high	91	Very high	166 Å²	166	50.2 Å²	50.2	72%	0.722	25%	0.251	S	S	*	.	H	α-helix	trans	-61.7	-37.8	178.3	-176.2	-178.2	177.3	-173.7	0	112.7	E190 Q191 V192	E190-K194 VanDerWaalsContact O-CB 3.25Å; E190-K194 WeakPolarHBondContact O-CB 3.12Å; E190-K194 PolarHBondContact O-N 3.42Å; Q191-K194 PolarHBondContact O-N 2.74Å; V192-K194 VanDerWaalsContact C-N 3.32Å; V192-K194 PolarHBondContact O-N 3.02Å
195	E	91.1	Very high	90.5	Very high	51 Å²	51	55.1 Å²	55.1	24%	0.238	28%	0.282	C	S	.	.	H	α-helix	trans	-75.6	-35.3	178.7	-71.5	-163.2	-176.9	0	0	112.9	Y43 F44 R46 F187 Q191 V192 I193	Y43-E195 HydrophobicContact CE1-CB 4.36Å; F44-E195 HydrophobicContact CE1-CB 4.11Å; F44-E195 WeakPolarHBondContact CE1-OE2 3.34Å; R46-E195 IonicContact CZ-OE1 2.76Å; R46-E195 IonicContact CZ-OE2 3.02Å; R46-E195 IonicContact NH1-OE1 3.01Å; R46-E195 PolarHBondContact NH1-OE1 3.21Å; R46-E195 IonicContact NH1-OE2 3.68Å; R46-E195 PolarHBondContact NH1-OE2 2.91Å; R46-E195 IonicContact NH2-OE1 2.87Å; R46-E195 IonicContact NH2-OE2 2.69Å; R46-E195 PolarHBondContact NH2-OE2 3.41Å; F187-E195 WeakPolarHBondContact CE1-OE1 3.4Å; Q191-E195 PolarHBondContact O-N 2.64Å; V192-E195 PolarHBondContact O-N 3.41Å; I193-E195 VanDerWaalsContact C-N 3.32Å; I193-E195 PolarHBondContact O-N 2.67Å
196	L	89.7	Confident	90	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-80.2	-36.5	-177.1	-66.9	177.8	0	0	0	113.6	L31 L39 F44 V192 I193 I228 V232	L31-L196 HydrophobicContact CD1-CB 4.11Å; L31-L196 HydrophobicContact CD1-CD2 4.09Å; L31-L196 HydrophobicContact CD1-CG 4.47Å; L31-L196 PolarHBondContact N-O 2.92Å; L39-L196 HydrophobicContact CD1-CD1 3.58Å; L39-L196 HydrophobicContact CD1-CD2 3.68Å; L39-L196 HydrophobicContact CD1-CG 4.28Å; L39-L196 HydrophobicContact CD2-CD1 4.24Å; F44-L196 HydrophobicContact CE2-CD2 4.06Å; F44-L196 HydrophobicContact CE2-CG 4.5Å; F44-L196 HydrophobicContact CZ-CD1 4.34Å; F44-L196 HydrophobicContact CZ-CD2 3.84Å; F44-L196 HydrophobicContact CZ-CG 3.92Å; V192-L196 HydrophobicContact CG1-CD1 3.57Å; V192-L196 HydrophobicContact CG1-CG 4.19Å; V192-L196 VanDerWaalsContact O-CG 3.3Å; V192-L196 WeakPolarHBondContact O-CG 3.24Å; V192-L196 PolarHBondContact O-N 3.31Å; I193-L196 PolarHBondContact O-N 3.26Å; L196-I228 HydrophobicContact CD1-CD1 3.97Å; L196-I228 HydrophobicContact CD1-CG1 4.39Å; L196-V232 HydrophobicContact CD1-CG2 4.02Å
197	L	90.2	Very high	89.9	Confident	8 Å²	8	56 Å²	56	4%	0.042	29%	0.293	C	S	.	.	S	Bend	trans	-88.1	149.5	-171.4	-62.7	-165.4	0	0	0	112.7	K30 I193 I201 I204 Y225 I229	K30-L197 WeakPolarHBondContact CE-O 3.36Å; I193-L197 HydrophobicContact CG2-CD1 3.58Å; I193-L197 HydrophobicContact CG2-CG 4.01Å; I193-L197 VanDerWaalsContact O-CB 3.31Å; I193-L197 WeakPolarHBondContact O-CB 3.3Å; I193-L197 WeakPolarHBondContact O-CG 3.25Å; I193-L197 PolarHBondContact O-N 3.37Å; L197-I201 HydrophobicContact CB-CD1 4.27Å; L197-I201 HydrophobicContact CD1-CD1 4.38Å; L197-I201 HydrophobicContact CD1-CG2 4.1Å; L197-I204 HydrophobicContact CD1-CD1 4.49Å; L197-I204 HydrophobicContact CD1-CG1 4.25Å; L197-Y225 HydrophobicContact CD2-CD1 3.74Å; L197-Y225 HydrophobicContact CD2-CD2 4.28Å; L197-Y225 HydrophobicContact CD2-CE1 4.5Å; L197-Y225 HydrophobicContact CD2-CG 3.6Å; L197-I229 HydrophobicContact CD1-CD1 4.12Å; L197-I229 HydrophobicContact CD1-CG1 4.25Å
198	P	89.6	Confident	89.8	Confident	15 Å²	15	56.3 Å²	56.3	10%	0.097	30%	0.295	C	S	.	.			trans	-55.2	149.4	170.6	-25.9	31.6	0	0	0	114.9	K30 F200 I201 Y225	K30-P198 HydrophobicContact CB-CG 4.34Å; P198-F200 HydrophobicContact CB-CD1 3.48Å; P198-F200 VanDerWaalsContact CB-CD1 3.48Å; P198-F200 HydrophobicContact CB-CE1 3.18Å; P198-F200 HydrophobicContact CB-CG 4.32Å; P198-F200 HydrophobicContact CB-CZ 3.8Å; P198-F200 HydrophobicContact CG-CE1 3.79Å; P198-F200 HydrophobicContact CG-CZ 4.07Å; P198-F200 PolarHBondContact O-N 3.45Å; P198-I201 HydrophobicContact CB-CD1 4.42Å; P198-I201 HydrophobicContact CB-CG1 4.29Å; P198-I201 HydrophobicContact CG-CD1 4.16Å; P198-I201 WeakPolarHBondContact O-CB 3.46Å; P198-I201 PolarHBondContact O-N 3.14Å; P198-Y225 HydrophobicContact CG-CE2 4.46Å; P198-Y225 WeakPolarHBondContact CG-OH 3.2Å
199	D	87.8	Confident	89.8	Confident	138 Å²	138	58.2 Å²	58.2	74%	0.738	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.1	-175.1	-75.1	-33	0	0	0	112.8	K30 I201	K30-D199 IonicContact NZ-OD1 2.73Å; K30-D199 PolarHBondContact NZ-OD1 3.28Å; K30-D199 IonicContact NZ-OD2 2.87Å; K30-D199 PolarHBondContact NZ-OD2 2.94Å; D199-I201 PolarHBondContact O-N 3.16Å
200	F	87	Confident	89.9	Confident	146 Å²	146	58.1 Å²	58.1	64%	0.64	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-14.3	178.8	69.4	-100.4	0	0	0	112.5	P198	P198-F200 HydrophobicContact CB-CD1 3.48Å; P198-F200 VanDerWaalsContact CB-CD1 3.48Å; P198-F200 HydrophobicContact CB-CE1 3.18Å; P198-F200 HydrophobicContact CB-CG 4.32Å; P198-F200 HydrophobicContact CB-CZ 3.8Å; P198-F200 HydrophobicContact CG-CE1 3.79Å; P198-F200 HydrophobicContact CG-CZ 4.07Å; P198-F200 PolarHBondContact O-N 3.45Å
201	I	87.1	Confident	90	Very high	16 Å²	16	54.5 Å²	54.5	8%	0.082	29%	0.294	C	S	.	.	S	Bend	trans	-80.3	123.2	177.5	-57.4	-174.8	0	0	0	108.7	L197 P198 D199 I204 A222 Y225	L197-I201 HydrophobicContact CB-CD1 4.27Å; L197-I201 HydrophobicContact CD1-CD1 4.38Å; L197-I201 HydrophobicContact CD1-CG2 4.1Å; P198-I201 HydrophobicContact CB-CD1 4.42Å; P198-I201 HydrophobicContact CB-CG1 4.29Å; P198-I201 HydrophobicContact CG-CD1 4.16Å; P198-I201 WeakPolarHBondContact O-CB 3.46Å; P198-I201 PolarHBondContact O-N 3.14Å; D199-I201 PolarHBondContact O-N 3.16Å; I201-I204 HydrophobicContact CG2-CD1 4.32Å; I201-A222 HydrophobicContact CG2-CB 4.07Å; I201-Y225 HydrophobicContact CD1-CD2 3.42Å; I201-Y225 VanDerWaalsContact CD1-CD2 3.42Å; I201-Y225 HydrophobicContact CD1-CE2 3.27Å; I201-Y225 HydrophobicContact CD1-CG 4.4Å
202	L	85.4	Confident	90.2	Very high	99 Å²	99	53 Å²	53	52%	0.518	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-63.6	146.2	176.5	-65.4	174.5	0	0	0	110.9	I204 K219	L202-I204 PolarHBondContact O-N 3.24Å; L202-K219 HydrophobicContact CD1-CD 4.3Å
203	P	86.3	Confident	90.4	Very high	103 Å²	103	53 Å²	53	67%	0.669	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-51.8	132.6	178.1	-28.5	35.2	0	0	0	113.1	T205	P203-T205 HydrophobicContact CB-CG2 4.29Å; P203-T205 PolarHBondContact O-N 2.9Å
204	I	89.3	Confident	90.6	Very high	23 Å²	23	52.6 Å²	52.6	12%	0.118	29%	0.286	C	S	.	.			trans	-76	88.1	-178.8	-50.5	-58.3	0	0	0	109.8	I193 L197 I201 L202 F216 L218 A222 I229	I193-I204 HydrophobicContact CG2-CB 4.44Å; I193-I204 HydrophobicContact CG2-CG1 3.83Å; L197-I204 HydrophobicContact CD1-CD1 4.49Å; L197-I204 HydrophobicContact CD1-CG1 4.25Å; I201-I204 HydrophobicContact CG2-CD1 4.32Å; L202-I204 PolarHBondContact O-N 3.24Å; I204-F216 HydrophobicContact CG2-CD1 3.7Å; I204-F216 HydrophobicContact CG2-CE1 3.56Å; I204-L218 HydrophobicContact CD1-CD2 4.3Å; I204-L218 HydrophobicContact CG2-CD2 3.84Å; I204-A222 HydrophobicContact CD1-CB 3.57Å; I204-I229 HydrophobicContact CD1-CD1 4.14Å; I204-I229 HydrophobicContact CG1-CD1 4.21Å; I204-I229 HydrophobicContact CG2-CG2 4.36Å
205	T	83.8	Confident	90.7	Very high	114 Å²	114	45.3 Å²	45.3	70%	0.699	25%	0.254	S	S	*	.			trans	-107.2	-17.8	-178.2	51.7	0	0	0	0	113.4	P203 F207	P203-T205 HydrophobicContact CB-CG2 4.29Å; P203-T205 PolarHBondContact O-N 2.9Å; T205-F207 PolarHBondContact O-N 2.9Å; T205-F207 VanDerWaalsContact O-N 3.11Å
206	G	83.1	Confident	90.9	Very high	30 Å²	30	42.9 Å²	42.9	31%	0.309	24%	0.243	S	C	.	.			trans	-85.1	74.2	-174.4	0	0	0	0	0	113.8	N217	G206-N217 PolarHBondContact O-N 3.46Å
207	F	91.4	Very high	90.8	Very high	56 Å²	56	46 Å²	46	25%	0.246	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.3	174.7	64	-96.6	0	0	0	113.7	T205 I209 M214 Q215 F216 R291	T205-F207 PolarHBondContact O-N 2.9Å; T205-F207 VanDerWaalsContact O-N 3.11Å; F207-I209 HydrophobicContact CD2-CG1 4.44Å; F207-I209 HydrophobicContact CE2-CD1 4.44Å; F207-M214 HydrophobicContact CB-CE 3.97Å; F207-M214 HydrophobicContact CD1-CE 3.89Å; F207-M214 HydrophobicContact CD2-CE 3.29Å; F207-M214 HydrophobicContact CE1-CE 4.17Å; F207-M214 HydrophobicContact CE2-CE 3.62Å; F207-M214 HydrophobicContact CG-CE 3.44Å; F207-M214 VanDerWaalsContact CG-CE 3.44Å; F207-M214 HydrophobicContact CZ-CE 4.04Å; F207-Q215 CarbonylContact C-O 3.6Å; F207-Q215 WeakPolarHBondContact CA-O 3.45Å; F207-Q215 WeakPolarHBondContact CB-O 3.15Å; F207-F216 HydrophobicContact CB-CD1 3.69Å; F207-F216 HydrophobicContact CB-CE1 3.72Å; F207-F216 HydrophobicContact CB-CG 4.21Å; F207-F216 HydrophobicContact CB-CZ 4.28Å; F207-F216 AromaticContact CD1-CE1 3.99Å; F207-F216 HydrophobicContact CD1-CE1 3.99Å; F207-F216 HydrophobicContact CG-CE1 4.14Å; F207-R291 PolarHBondContact O-NH2 2.84Å
208	T	92.5	Very high	90.9	Very high	10 Å²	10	46.4 Å²	46.4	6%	0.061	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.8	178.4	-56.2	0	0	0	0	108.6	I210 Q215 P290 R291	T208-I210 HydrophobicContact CG2-CD1 4.39Å; T208-I210 HydrophobicContact CG2-CG1 3.99Å; T208-Q215 PolarHBondContact N-O 3.37Å; T208-Q215 PolarHBondContact O-N 3.31Å; T208-P290 HydrophobicContact CG2-CG 3.35Å; T208-R291 PolarHBondContact OG1-NE 3.44Å; T208-R291 PolarHBondContact OG1-NH2 2.89Å; T208-R291 VanDerWaalsContact OG1-NH2 3.11Å
209	I	94.6	Very high	90.9	Very high	72 Å²	72	51.5 Å²	51.5	37%	0.369	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.7	173.8	-64.1	172.5	0	0	0	108.6	F207 G211 V213 M214 I237 I240	F207-I209 HydrophobicContact CD2-CG1 4.44Å; F207-I209 HydrophobicContact CE2-CD1 4.44Å; I209-G211 WeakPolarHBondContact CG2-O 3.23Å; I209-V213 WeakPolarHBondContact CA-O 3.43Å; I209-M214 HydrophobicContact CG1-CB 4.48Å; I209-M214 HydrophobicContact CG1-CG 4.08Å; I209-I237 HydrophobicContact CD1-CG2 3.91Å; I209-I240 HydrophobicContact CD1-CD1 4.45Å; I209-I240 HydrophobicContact CG1-CD1 4.33Å; I209-I240 HydrophobicContact CG2-CD1 3.83Å
210	I	95	Very high	90.9	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	93.5	177.7	-48.9	177.7	0	0	0	107.4	T208 H212 V213 T270 M272 L281 I283 C288 P290	T208-I210 HydrophobicContact CG2-CD1 4.39Å; T208-I210 HydrophobicContact CG2-CG1 3.99Å; I210-H212 PolarHBondContact O-N 2.94Å; I210-V213 PolarHBondContact N-O 3.25Å; I210-V213 PolarHBondContact O-N 3.44Å; I210-V213 VanDerWaalsContact O-N 3.08Å; I210-T270 HydrophobicContact CB-CG2 4.36Å; I210-T270 HydrophobicContact CG2-CG2 3.74Å; I210-T270 WeakPolarHBondContact O-CG2 3.34Å; I210-T270 PolarHBondContact O-OG1 2.92Å; I210-M272 HydrophobicContact CG2-CB 4.47Å; I210-M272 HydrophobicContact CG2-SD 3.99Å; I210-L281 HydrophobicContact CG2-CD1 4.45Å; I210-L281 HydrophobicContact CG2-CD2 4.08Å; I210-I283 HydrophobicContact CB-CG2 4.48Å; I210-I283 HydrophobicContact CD1-CG2 4.25Å; I210-I283 HydrophobicContact CG2-CG2 4.2Å; I210-C288 HydrophobicContact CD1-CB 4.46Å; I210-P290 HydrophobicContact CG1-CG 4.04Å
211	G	95.4	Very high	91.1	Very high	30 Å²	30	47.8 Å²	47.8	31%	0.309	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	-121.6	-170	0	0	0	0	0	111.3	I209 V213 T270 S271	I209-G211 WeakPolarHBondContact CG2-O 3.23Å; G211-V213 VanDerWaalsContact C-N 3.3Å; G211-T270 VanDerWaalsContact CA-OG1 3.29Å; G211-T270 WeakPolarHBondContact CA-OG1 3.44Å; G211-S271 WeakPolarHBondContact CA-O 3.27Å
212	H	97.1	Very high	91.3	Very high	17 Å²	17	47.1 Å²	47.1	8%	0.079	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.2	178.7	74.2	-88.9	0	0	0	114.6	I210 N239 I240 R241 T242 D267 I269 T270	I210-H212 PolarHBondContact O-N 2.94Å; H212-N239 VanDerWaalsContact CA-O 3.23Å; H212-N239 WeakPolarHBondContact CA-O 3.29Å; H212-N239 VanDerWaalsContact CB-O 3.25Å; H212-N239 WeakPolarHBondContact CB-O 3.38Å; H212-I240 WeakPolarHBondContact O-CA 3.43Å; H212-R241 HydrophobicContact CB-CB 4.38Å; H212-R241 HydrophobicContact CB-CG 4.21Å; H212-R241 PolarHBondContact CE1-NH2 2.71Å; H212-R241 VanDerWaalsContact CG-NH2 3.27Å; H212-R241 PolarHBondContact ND1-NH2 3.1Å; H212-R241 PolarHBondContact NE2-NH2 3.11Å; H212-R241 PolarHBondContact O-N 2.99Å; H212-T242 PolarHBondContact CD2-OG1 2.94Å; H212-T242 PolarHBondContact NE2-OG1 3.24Å; H212-T242 PolarHBondContact O-N 3.34Å; H212-D267 IonicContact CE1-OD2 3.52Å; H212-D267 PolarHBondContact CE1-OD2 3.16Å; H212-D267 PolarHBondContact NE2-O 3.19Å; H212-D267 IonicContact NE2-OD2 3.55Å; H212-D267 PolarHBondContact NE2-OD2 2.86Å; H212-I269 PolarHBondContact CE1-O 2.82Å; H212-I269 VanDerWaalsContact CE1-O 3.26Å; H212-T270 PolarHBondContact N-OG1 3.15Å; H212-T270 PolarHBondContact ND1-OG1 3.43Å
213	V	97.7	Very high	91.5	Very high	1 Å²	1	45 Å²	45	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.9	-178.7	-170.5	0	0	0	0	110.5	I209 I210 G211 T242 I244 T270 I283	I209-V213 WeakPolarHBondContact CA-O 3.43Å; I210-V213 PolarHBondContact N-O 3.25Å; I210-V213 PolarHBondContact O-N 3.44Å; I210-V213 VanDerWaalsContact O-N 3.08Å; G211-V213 VanDerWaalsContact C-N 3.3Å; V213-T242 WeakPolarHBondContact CA-O 3.34Å; V213-T242 HydrophobicContact CG1-CG2 4.09Å; V213-T242 HydrophobicContact CG2-CG2 4.44Å; V213-I244 HydrophobicContact CG1-CD1 4.2Å; V213-I244 HydrophobicContact CG1-CG1 3.98Å; V213-T270 HydrophobicContact CG2-CG2 4.33Å; V213-I283 HydrophobicContact CB-CD1 3.83Å; V213-I283 HydrophobicContact CG1-CD1 3.25Å; V213-I283 HydrophobicContact CG2-CD1 3.89Å
214	M	96.6	Very high	91.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.9	170.9	-169	172.8	-176	0	0	110	F207 I209 F216 A233 I237 I240 T242 V243 I244	F207-M214 HydrophobicContact CB-CE 3.97Å; F207-M214 HydrophobicContact CD1-CE 3.89Å; F207-M214 HydrophobicContact CD2-CE 3.29Å; F207-M214 HydrophobicContact CE1-CE 4.17Å; F207-M214 HydrophobicContact CE2-CE 3.62Å; F207-M214 HydrophobicContact CG-CE 3.44Å; F207-M214 VanDerWaalsContact CG-CE 3.44Å; F207-M214 HydrophobicContact CZ-CE 4.04Å; I209-M214 HydrophobicContact CG1-CB 4.48Å; I209-M214 HydrophobicContact CG1-CG 4.08Å; M214-F216 HydrophobicContact CE-CE1 4.03Å; M214-F216 HydrophobicContact CE-CE2 3.9Å; M214-F216 HydrophobicContact CE-CZ 3.35Å; M214-F216 HydrophobicContact CG-CD2 4.46Å; M214-F216 HydrophobicContact CG-CE2 3.87Å; M214-F216 HydrophobicContact CG-CZ 4.31Å; M214-F216 HydrophobicContact SD-CE2 3.85Å; M214-F216 HydrophobicContact SD-CZ 3.88Å; M214-A233 HydrophobicContact CE-CB 4.45Å; M214-A233 HydrophobicContact SD-CB 3.71Å; M214-I237 HydrophobicContact CE-CG1 4.1Å; M214-I237 HydrophobicContact SD-CB 4.31Å; M214-I237 HydrophobicContact SD-CG1 3.84Å; M214-I237 HydrophobicContact SD-CG2 4.46Å; M214-I240 HydrophobicContact CB-CD1 3.98Å; M214-I240 HydrophobicContact CB-CG1 4.2Å; M214-I240 HydrophobicContact CB-CG2 3.85Å; M214-T242 PolarHBondContact N-O 2.99Å; M214-V243 HydrophobicContact CB-CG1 4.44Å; M214-V243 HydrophobicContact CB-CG2 4.45Å; M214-V243 WeakPolarHBondContact O-CA 3.48Å; M214-I244 PolarHBondContact O-N 3.2Å
215	Q	94.7	Very high	91.9	Very high	13 Å²	13	41.8 Å²	41.8	6%	0.061	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.7	-176.8	-179	-163.1	-31.9	0	0	110.9	F207 T208 I244 K246	F207-Q215 CarbonylContact C-O 3.6Å; F207-Q215 WeakPolarHBondContact CA-O 3.45Å; F207-Q215 WeakPolarHBondContact CB-O 3.15Å; T208-Q215 PolarHBondContact N-O 3.37Å; T208-Q215 PolarHBondContact O-N 3.31Å; Q215-I244 WeakPolarHBondContact CA-O 3.29Å; Q215-I244 HydrophobicContact CB-CD1 4.07Å; Q215-I244 HydrophobicContact CB-CG1 3.92Å; Q215-I244 HydrophobicContact CG-CD1 3.91Å; Q215-I244 HydrophobicContact CG-CG1 4.04Å; Q215-K246 HydrophobicContact CG-CB 4.08Å
216	F	94.3	Very high	92.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.6	175.2	-72.8	-88.4	0	0	0	112.7	F189 I204 F207 M214 L218 I229 A233 V243 I244 H245 K246 L262	F189-F216 HydrophobicContact CE2-CZ 4.25Å; F189-F216 AromaticContact CZ-CE1 3.96Å; F189-F216 HydrophobicContact CZ-CE1 3.96Å; F189-F216 AromaticContact CZ-CZ 3.77Å; F189-F216 HydrophobicContact CZ-CZ 3.77Å; I204-F216 HydrophobicContact CG2-CD1 3.7Å; I204-F216 HydrophobicContact CG2-CE1 3.56Å; F207-F216 HydrophobicContact CB-CD1 3.69Å; F207-F216 HydrophobicContact CB-CE1 3.72Å; F207-F216 HydrophobicContact CB-CG 4.21Å; F207-F216 HydrophobicContact CB-CZ 4.28Å; F207-F216 AromaticContact CD1-CE1 3.99Å; F207-F216 HydrophobicContact CD1-CE1 3.99Å; F207-F216 HydrophobicContact CG-CE1 4.14Å; M214-F216 HydrophobicContact CE-CE1 4.03Å; M214-F216 HydrophobicContact CE-CE2 3.9Å; M214-F216 HydrophobicContact CE-CZ 3.35Å; M214-F216 HydrophobicContact CG-CD2 4.46Å; M214-F216 HydrophobicContact CG-CE2 3.87Å; M214-F216 HydrophobicContact CG-CZ 4.31Å; M214-F216 HydrophobicContact SD-CE2 3.85Å; M214-F216 HydrophobicContact SD-CZ 3.88Å; F216-L218 HydrophobicContact CB-CD2 3.85Å; F216-L218 HydrophobicContact CB-CG 3.83Å; F216-L218 HydrophobicContact CD1-CD2 3.82Å; F216-L218 HydrophobicContact CG-CD2 4.07Å; F216-L218 HydrophobicContact CG-CG 4.5Å; F216-I229 HydrophobicContact CD1-CG2 4.46Å; F216-I229 HydrophobicContact CE1-CG2 4.09Å; F216-I229 HydrophobicContact CE2-CG2 4.46Å; F216-I229 HydrophobicContact CZ-CG2 4.08Å; F216-A233 HydrophobicContact CE2-CB 3.8Å; F216-A233 HydrophobicContact CZ-CB 3.87Å; F216-V243 HydrophobicContact CD2-CG1 3.71Å; F216-V243 HydrophobicContact CE2-CG1 3.55Å; F216-I244 PolarHBondContact N-O 3.23Å; F216-H245 WeakPolarHBondContact O-CA 3.38Å; F216-H245 PolarHBondContact O-ND1 3.18Å; F216-K246 PolarHBondContact O-N 3.06Å; F216-L262 HydrophobicContact CD2-CD1 4.31Å
217	N	89.1	Confident	92.7	Very high	71 Å²	71	39.2 Å²	39.2	38%	0.38	21%	0.205	S	C	.	.			trans	-107.3	72.9	162.6	-63.1	-13	0	0	0	107.7	G206 K246	G206-N217 PolarHBondContact O-N 3.46Å; N217-K246 WeakPolarHBondContact OD1-CB 3.38Å
218	L	91.6	Very high	92.8	Very high	17 Å²	17	37.4 Å²	37.4	9%	0.089	20%	0.198	C	C	.	.			trans	-64.8	140.5	-179.3	-60.5	-179.7	0	0	0	110.3	I204 F216 A222 L223 R226 I229 H245 L262	I204-L218 HydrophobicContact CD1-CD2 4.3Å; I204-L218 HydrophobicContact CG2-CD2 3.84Å; F216-L218 HydrophobicContact CB-CD2 3.85Å; F216-L218 HydrophobicContact CB-CG 3.83Å; F216-L218 HydrophobicContact CD1-CD2 3.82Å; F216-L218 HydrophobicContact CG-CD2 4.07Å; F216-L218 HydrophobicContact CG-CG 4.5Å; L218-A222 HydrophobicContact CB-CB 4.42Å; L218-L223 HydrophobicContact CB-CD2 3.92Å; L218-R226 HydrophobicContact CD1-CB 3.4Å; L218-I229 HydrophobicContact CD1-CD1 4.25Å; L218-I229 HydrophobicContact CD2-CD1 4.16Å; L218-I229 HydrophobicContact CD2-CG2 4.34Å; L218-H245 PolarHBondContact N-CE1 3.18Å; L218-H245 VanDerWaalsContact N-CE1 3.35Å; L218-H245 PolarHBondContact N-ND1 3.15Å; L218-L262 HydrophobicContact CD1-CD1 4.27Å
219	K	88.5	Confident	92.9	Very high	123 Å²	123	37 Å²	37	54%	0.535	20%	0.195	S	C	.	.			trans	-78.6	160.3	170.8	-59.9	-177.5	177.2	-178	0	110.2	L202 E221 A222 L223	L202-K219 HydrophobicContact CD1-CD 4.3Å; K219-E221 WeakPolarHBondContact CB-OE2 2.97Å; K219-E221 PolarHBondContact O-N 3.22Å; K219-E221 VanDerWaalsContact O-N 3.08Å; K219-A222 PolarHBondContact O-N 3.45Å; K219-L223 PolarHBondContact O-N 2.93Å; K219-L223 VanDerWaalsContact O-N 3.15Å
220	T	89	Confident	92.9	Very high	110 Å²	110	33.5 Å²	33.5	68%	0.675	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-38	-177.4	-49.4	0	0	0	0	113.1	A222 L223	T220-A222 VanDerWaalsContact C-N 3.29Å; T220-A222 PolarHBondContact O-N 3.47Å; T220-L223 PolarHBondContact O-N 2.83Å
221	E	90.2	Very high	92.9	Very high	95 Å²	95	37 Å²	37	44%	0.444	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.5	-178.5	-49.4	79	-171.1	0	0	112.9	K219 P224	K219-E221 WeakPolarHBondContact CB-OE2 2.97Å; K219-E221 PolarHBondContact O-N 3.22Å; K219-E221 VanDerWaalsContact O-N 3.08Å; E221-P224 WeakPolarHBondContact O-CD 3.34Å
222	A	91.4	Very high	92.8	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.025	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-18.9	-179.7	0	0	0	0	0	113.4	I201 I204 L218 K219 T220 P224 Y225 R226 I229	I201-A222 HydrophobicContact CG2-CB 4.07Å; I204-A222 HydrophobicContact CD1-CB 3.57Å; L218-A222 HydrophobicContact CB-CB 4.42Å; K219-A222 PolarHBondContact O-N 3.45Å; T220-A222 VanDerWaalsContact C-N 3.29Å; T220-A222 PolarHBondContact O-N 3.47Å; A222-P224 VanDerWaalsContact C-N 3.3Å; A222-Y225 PolarHBondContact O-N 3.49Å; A222-R226 PolarHBondContact O-N 2.97Å; A222-I229 HydrophobicContact CB-CD1 4.26Å
223	L	90.8	Very high	92.8	Very high	54 Å²	54	34.8 Å²	34.8	28%	0.283	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-51.6	-37.6	178.4	-69.1	178.4	0	0	0	114.6	L218 K219 T220 Y225 R226 H245	L218-L223 HydrophobicContact CB-CD2 3.92Å; K219-L223 PolarHBondContact O-N 2.93Å; K219-L223 VanDerWaalsContact O-N 3.15Å; T220-L223 PolarHBondContact O-N 2.83Å; L223-Y225 PolarHBondContact O-N 2.94Å; L223-Y225 VanDerWaalsContact O-N 3.1Å; L223-R226 WeakPolarHBondContact O-CB 3.33Å; L223-R226 VanDerWaalsContact O-CD 3.27Å; L223-R226 WeakPolarHBondContact O-CD 3.25Å; L223-R226 WeakPolarHBondContact O-CG 3.31Å; L223-R226 PolarHBondContact O-N 2.97Å; L223-R226 VanDerWaalsContact O-N 3.17Å; L223-R226 PolarHBondContact O-NH1 3.39Å; L223-H245 VanDerWaalsContact CD2-NE2 3.33Å; L223-H245 WeakPolarHBondContact CD2-NE2 2.99Å
224	P	91.2	Very high	92.7	Very high	47 Å²	47	36.7 Å²	36.7	31%	0.305	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-68.5	-9.8	179.8	-13.2	27	0	0	0	114.2	P33 T34 E221 A222	P33-P224 HydrophobicContact CB-CB 3.56Å; P33-P224 HydrophobicContact CG-CB 4.01Å; T34-P224 PolarHBondContact N-O 2.94Å; E221-P224 WeakPolarHBondContact O-CD 3.34Å; A222-P224 VanDerWaalsContact C-N 3.3Å
225	Y	91.3	Very high	92.6	Very high	12 Å²	12	38.6 Å²	38.6	5%	0.047	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-113.3	10.4	178.3	-54.9	-83.4	0	0	0	112.6	L31 P33 L197 P198 I201 A222 L223 H227 I228 I229	L31-Y225 HydrophobicContact CB-CE1 4.32Å; L31-Y225 WeakPolarHBondContact O-CE1 3.32Å; L31-Y225 PolarHBondContact O-OH 3.27Å; P33-Y225 WeakPolarHBondContact CD-OH 3.29Å; L197-Y225 HydrophobicContact CD2-CD1 3.74Å; L197-Y225 HydrophobicContact CD2-CD2 4.28Å; L197-Y225 HydrophobicContact CD2-CE1 4.5Å; L197-Y225 HydrophobicContact CD2-CG 3.6Å; P198-Y225 HydrophobicContact CG-CE2 4.46Å; P198-Y225 WeakPolarHBondContact CG-OH 3.2Å; I201-Y225 HydrophobicContact CD1-CD2 3.42Å; I201-Y225 VanDerWaalsContact CD1-CD2 3.42Å; I201-Y225 HydrophobicContact CD1-CE2 3.27Å; I201-Y225 HydrophobicContact CD1-CG 4.4Å; A222-Y225 PolarHBondContact O-N 3.49Å; L223-Y225 PolarHBondContact O-N 2.94Å; L223-Y225 VanDerWaalsContact O-N 3.1Å; Y225-H227 VanDerWaalsContact C-N 3.34Å; Y225-H227 PolarHBondContact O-N 3.39Å; Y225-I228 WeakPolarHBondContact O-CG2 3.46Å; Y225-I228 PolarHBondContact O-N 3.36Å; Y225-I229 VanDerWaalsContact O-CG1 3.29Å; Y225-I229 WeakPolarHBondContact O-CG1 3.25Å; Y225-I229 PolarHBondContact O-N 2.91Å
226	R	92.6	Very high	92.6	Very high	45 Å²	45	38.6 Å²	38.6	17%	0.17	20%	0.195	C	C	.	.	H	α-helix	trans	-57.6	-39.7	-170.2	65.6	-166.7	178.6	-66	-15.1	114.3	N35 L218 A222 L223 I229 G230 E260 L262	N35-R226 PolarHBondContact OD1-NH2 3.08Å; N35-R226 VanDerWaalsContact OD1-NH2 3.16Å; L218-R226 HydrophobicContact CD1-CB 3.4Å; A222-R226 PolarHBondContact O-N 2.97Å; L223-R226 WeakPolarHBondContact O-CB 3.33Å; L223-R226 VanDerWaalsContact O-CD 3.27Å; L223-R226 WeakPolarHBondContact O-CD 3.25Å; L223-R226 WeakPolarHBondContact O-CG 3.31Å; L223-R226 PolarHBondContact O-N 2.97Å; L223-R226 VanDerWaalsContact O-N 3.17Å; L223-R226 PolarHBondContact O-NH1 3.39Å; R226-I229 PolarHBondContact O-N 3.26Å; R226-G230 PolarHBondContact O-N 2.9Å; R226-E260 VanDerWaalsContact CD-OE2 3.32Å; R226-E260 WeakPolarHBondContact CD-OE2 3.4Å; R226-E260 IonicContact CZ-OE1 3.94Å; R226-E260 IonicContact NE-OE1 2.68Å; R226-E260 PolarHBondContact NE-OE1 3.48Å; R226-E260 IonicContact NE-OE2 3.25Å; R226-E260 PolarHBondContact NE-OE2 2.97Å; R226-E260 VanDerWaalsContact NE-OE2 3.12Å; R226-E260 IonicContact NH2-OE1 2.83Å; R226-L262 HydrophobicContact CB-CD1 4.35Å; R226-L262 HydrophobicContact CB-CD2 3.74Å; R226-L262 HydrophobicContact CG-CD2 3.76Å
227	H	92.7	Very high	92.6	Very high	44 Å²	44	40.1 Å²	40.1	20%	0.204	20%	0.203	C	C	.	.	H	α-helix	trans	-68.3	-40.7	179.1	-66.6	-64.3	0	0	0	112.3	N35 Y225 G230 Q231 E260 L262	N35-H227 PolarHBondContact OD1-CD2 3.29Å; N35-H227 VanDerWaalsContact OD1-CD2 3.32Å; Y225-H227 VanDerWaalsContact C-N 3.34Å; Y225-H227 PolarHBondContact O-N 3.39Å; H227-G230 PolarHBondContact O-N 3.39Å; H227-Q231 PolarHBondContact O-N 3.3Å; H227-E260 IonicContact CE1-OE1 3.85Å; H227-E260 IonicContact NE2-OE1 2.81Å; H227-L262 PolarHBondContact ND1-O 2.81Å
228	I	92.6	Very high	92.7	Very high	19 Å²	19	41.2 Å²	41.2	10%	0.097	21%	0.214	C	C	.	.	H	α-helix	trans	-70.8	-37	176.3	-163.4	168.4	0	0	0	112	L31 L39 L196 Y225 G230 Q231 V232	L31-I228 HydrophobicContact CD1-CD1 3.13Å; L39-I228 HydrophobicContact CB-CD1 4.38Å; L39-I228 HydrophobicContact CD1-CD1 4.16Å; L196-I228 HydrophobicContact CD1-CD1 3.97Å; L196-I228 HydrophobicContact CD1-CG1 4.39Å; Y225-I228 WeakPolarHBondContact O-CG2 3.46Å; Y225-I228 PolarHBondContact O-N 3.36Å; I228-G230 VanDerWaalsContact C-N 3.27Å; I228-G230 PolarHBondContact O-N 2.83Å; I228-Q231 PolarHBondContact O-N 3.17Å; I228-V232 HydrophobicContact CG1-CG2 4.33Å; I228-V232 WeakPolarHBondContact O-CB 3.46Å; I228-V232 VanDerWaalsContact O-CG2 3.24Å; I228-V232 WeakPolarHBondContact O-CG2 3.34Å; I228-V232 PolarHBondContact O-N 3.23Å
229	I	93.9	Very high	92.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.1	-45.2	170.7	-66.6	164.4	0	0	0	109.7	F189 I193 L197 I204 F216 L218 A222 Y225 R226 V232 A233	F189-I229 HydrophobicContact CZ-CG2 4.24Å; I193-I229 HydrophobicContact CD1-CB 4.35Å; I193-I229 HydrophobicContact CD1-CG1 4.05Å; I193-I229 HydrophobicContact CD1-CG2 4.43Å; L197-I229 HydrophobicContact CD1-CD1 4.12Å; L197-I229 HydrophobicContact CD1-CG1 4.25Å; I204-I229 HydrophobicContact CD1-CD1 4.14Å; I204-I229 HydrophobicContact CG1-CD1 4.21Å; I204-I229 HydrophobicContact CG2-CG2 4.36Å; F216-I229 HydrophobicContact CD1-CG2 4.46Å; F216-I229 HydrophobicContact CE1-CG2 4.09Å; F216-I229 HydrophobicContact CE2-CG2 4.46Å; F216-I229 HydrophobicContact CZ-CG2 4.08Å; L218-I229 HydrophobicContact CD1-CD1 4.25Å; L218-I229 HydrophobicContact CD2-CD1 4.16Å; L218-I229 HydrophobicContact CD2-CG2 4.34Å; A222-I229 HydrophobicContact CB-CD1 4.26Å; Y225-I229 VanDerWaalsContact O-CG1 3.29Å; Y225-I229 WeakPolarHBondContact O-CG1 3.25Å; Y225-I229 PolarHBondContact O-N 2.91Å; R226-I229 PolarHBondContact O-N 3.26Å; I229-V232 PolarHBondContact O-N 2.76Å; I229-A233 WeakPolarHBondContact O-CB 3.36Å; I229-A233 PolarHBondContact O-N 3.27Å
230	G	95.2	Very high	93.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-47.6	176.6	0	0	0	0	0	112.8	R226 H227 I228 A233 L234	R226-G230 PolarHBondContact O-N 2.9Å; H227-G230 PolarHBondContact O-N 3.39Å; I228-G230 VanDerWaalsContact C-N 3.27Å; I228-G230 PolarHBondContact O-N 2.83Å; G230-A233 WeakPolarHBondContact O-CB 3.3Å; G230-A233 PolarHBondContact O-N 3.08Å; G230-L234 PolarHBondContact O-N 2.85Å
231	Q	94.2	Very high	93.7	Very high	76 Å²	76	42.7 Å²	42.7	36%	0.355	21%	0.214	S	C	.	.	H	α-helix	trans	-64.4	-43.3	179.2	-171.7	61.1	52.5	0	0	111.7	H227 I228 A233 L234 D235	H227-Q231 PolarHBondContact O-N 3.3Å; I228-Q231 PolarHBondContact O-N 3.17Å; Q231-A233 VanDerWaalsContact C-N 3.31Å; Q231-A233 PolarHBondContact O-N 2.92Å; Q231-L234 PolarHBondContact O-N 2.89Å; Q231-D235 PolarHBondContact NE2-OD1 3.32Å; Q231-D235 WeakPolarHBondContact O-CB 3.46Å; Q231-D235 VanDerWaalsContact O-CG 3.23Å; Q231-D235 PolarHBondContact O-N 3.25Å
232	V	95	Very high	94.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-38.6	176	174.9	0	0	0	0	110.7	L39 F189 V192 I193 L196 I228 I229 D235 K236	L39-V232 HydrophobicContact CD2-CG2 3.9Å; F189-V232 HydrophobicContact CD2-CB 4.49Å; F189-V232 HydrophobicContact CD2-CG1 3.77Å; F189-V232 HydrophobicContact CE2-CB 4.48Å; F189-V232 HydrophobicContact CE2-CG1 4.14Å; V192-V232 HydrophobicContact CB-CG1 3.8Å; V192-V232 HydrophobicContact CG1-CB 4.25Å; V192-V232 HydrophobicContact CG1-CG1 3.44Å; V192-V232 VanDerWaalsContact CG1-CG1 3.44Å; V192-V232 HydrophobicContact CG1-CG2 3.67Å; I193-V232 HydrophobicContact CD1-CB 3.94Å; I193-V232 HydrophobicContact CD1-CG1 3.89Å; I193-V232 HydrophobicContact CD1-CG2 4.29Å; I193-V232 HydrophobicContact CG1-CG1 4.21Å; L196-V232 HydrophobicContact CD1-CG2 4.02Å; I228-V232 HydrophobicContact CG1-CG2 4.33Å; I228-V232 WeakPolarHBondContact O-CB 3.46Å; I228-V232 VanDerWaalsContact O-CG2 3.24Å; I228-V232 WeakPolarHBondContact O-CG2 3.34Å; I228-V232 PolarHBondContact O-N 3.23Å; I229-V232 PolarHBondContact O-N 2.76Å; V232-D235 PolarHBondContact O-N 2.84Å; V232-K236 HydrophobicContact CG1-CG 3.94Å; V232-K236 WeakPolarHBondContact O-CB 3.11Å; V232-K236 WeakPolarHBondContact O-CG 3.29Å; V232-K236 PolarHBondContact O-N 3.2Å
233	A	96	Very high	94.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-45.9	174.5	0	0	0	0	0	112	F189 M214 F216 I229 G230 Q231 D235 K236 I237 V243	F189-A233 HydrophobicContact CD2-CB 4.2Å; F189-A233 HydrophobicContact CE2-CB 3.75Å; M214-A233 HydrophobicContact CE-CB 4.45Å; M214-A233 HydrophobicContact SD-CB 3.71Å; F216-A233 HydrophobicContact CE2-CB 3.8Å; F216-A233 HydrophobicContact CZ-CB 3.87Å; I229-A233 WeakPolarHBondContact O-CB 3.36Å; I229-A233 PolarHBondContact O-N 3.27Å; G230-A233 WeakPolarHBondContact O-CB 3.3Å; G230-A233 PolarHBondContact O-N 3.08Å; Q231-A233 VanDerWaalsContact C-N 3.31Å; Q231-A233 PolarHBondContact O-N 2.92Å; A233-D235 PolarHBondContact O-N 3.19Å; A233-K236 PolarHBondContact O-N 3.43Å; A233-I237 WeakPolarHBondContact O-CB 3.44Å; A233-I237 WeakPolarHBondContact O-CG1 3.33Å; A233-I237 PolarHBondContact O-N 3.49Å; A233-V243 HydrophobicContact CB-CG1 4.24Å; A233-V243 HydrophobicContact CB-CG2 4.23Å
234	L	95.4	Very high	94.7	Very high	41 Å²	41	35.4 Å²	35.4	22%	0.215	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-44.7	176.7	-172.2	70.6	0	0	0	111.8	G230 Q231 K236 I240 V243 A263	G230-L234 PolarHBondContact O-N 2.85Å; Q231-L234 PolarHBondContact O-N 2.89Å; L234-K236 PolarHBondContact O-N 3.15Å; L234-I240 HydrophobicContact CD1-CG2 4.33Å; L234-I240 WeakPolarHBondContact CD1-O 3.39Å; L234-V243 HydrophobicContact CB-CG2 4.12Å; L234-V243 HydrophobicContact CD1-CG2 4.38Å; L234-A263 HydrophobicContact CB-CB 4.45Å; L234-A263 HydrophobicContact CD2-CB 4.34Å
235	D	94.7	Very high	94.8	Very high	40 Å²	40	33.9 Å²	33.9	21%	0.214	17%	0.167	C	C	.	.	H	α-helix	trans	-70.3	-31	-179	-69.8	1.4	0	0	0	113.1	R41 Y184 Q231 V232 A233	R41-D235 IonicContact CZ-OD2 3.45Å; R41-D235 IonicContact NE-OD2 3.69Å; R41-D235 VanDerWaalsContact NH2-CG 3.33Å; R41-D235 IonicContact NH2-OD1 2.94Å; R41-D235 IonicContact NH2-OD2 2.74Å; R41-D235 PolarHBondContact NH2-OD2 2.76Å; Y184-D235 HydrophobicContact CE1-CB 3.93Å; Y184-D235 WeakPolarHBondContact OH-CB 3.37Å; Y184-D235 PolarHBondContact OH-OD2 3.25Å; Q231-D235 PolarHBondContact NE2-OD1 3.32Å; Q231-D235 WeakPolarHBondContact O-CB 3.46Å; Q231-D235 VanDerWaalsContact O-CG 3.23Å; Q231-D235 PolarHBondContact O-N 3.25Å; V232-D235 PolarHBondContact O-N 2.84Å; A233-D235 PolarHBondContact O-N 3.19Å
236	K	94.4	Very high	94.7	Very high	13 Å²	13	34.7 Å²	34.7	6%	0.057	17%	0.171	C	C	.	.	H	α-helix	trans	-104.6	-32.3	-167.1	-65.2	-56.5	-169.6	174.5	0	115.2	Y184 F187 F189 V232 A233 L234	Y184-K236 VanDerWaalsContact C-NZ 3.34Å; Y184-K236 HydrophobicContact CE1-CD 4.39Å; Y184-K236 VanDerWaalsContact CZ-CE 3.42Å; Y184-K236 PolarHBondContact O-NZ 2.9Å; F187-K236 VanDerWaalsContact O-CE 3.26Å; F187-K236 WeakPolarHBondContact O-CE 3.24Å; F187-K236 PolarHBondContact O-NZ 2.8Å; F189-K236 HydrophobicContact CB-CB 3.93Å; F189-K236 HydrophobicContact CB-CG 4.48Å; V232-K236 HydrophobicContact CG1-CG 3.94Å; V232-K236 WeakPolarHBondContact O-CB 3.11Å; V232-K236 WeakPolarHBondContact O-CG 3.29Å; V232-K236 PolarHBondContact O-N 3.2Å; A233-K236 PolarHBondContact O-N 3.43Å; L234-K236 PolarHBondContact O-N 3.15Å
237	I	94.4	Very high	94	Very high	32 Å²	32	34.4 Å²	34.4	16%	0.164	17%	0.174	C	C	.	.	S	Bend	trans	-94.3	119	-175.6	-51.5	-55.6	0	0	0	108.5	F189 I209 M214 A233 I240	F189-I237 HydrophobicContact CB-CD1 3.75Å; F189-I237 HydrophobicContact CG-CD1 4.15Å; I209-I237 HydrophobicContact CD1-CG2 3.91Å; M214-I237 HydrophobicContact CE-CG1 4.1Å; M214-I237 HydrophobicContact SD-CB 4.31Å; M214-I237 HydrophobicContact SD-CG1 3.84Å; M214-I237 HydrophobicContact SD-CG2 4.46Å; A233-I237 WeakPolarHBondContact O-CB 3.44Å; A233-I237 WeakPolarHBondContact O-CG1 3.33Å; A233-I237 PolarHBondContact O-N 3.49Å; I237-I240 HydrophobicContact CB-CG1 3.75Å; I237-I240 HydrophobicContact CG2-CD1 4.3Å; I237-I240 HydrophobicContact CG2-CG1 3.51Å
238	P	92.4	Very high	92.8	Very high	95 Å²	95	37.2 Å²	37.2	62%	0.617	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	148.8	-176.1	27.5	-35	0	0	0	111.6	I240	P238-I240 PolarHBondContact O-N 3.17Å; P238-I240 VanDerWaalsContact O-N 3.16Å
239	N	94.5	Very high	91.3	Very high	142 Å²	142	40.4 Å²	40.4	76%	0.759	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	9.6	178.3	-50.5	-48.4	0	0	0	115.4	H212	H212-N239 VanDerWaalsContact CA-O 3.23Å; H212-N239 WeakPolarHBondContact CA-O 3.29Å; H212-N239 VanDerWaalsContact CB-O 3.25Å; H212-N239 WeakPolarHBondContact CB-O 3.38Å
240	I	97.5	Very high	89.7	Confident	14 Å²	14	42.7 Å²	42.7	7%	0.072	23%	0.228	C	C	.	.			trans	-85	131.9	171.7	-59.4	-53.7	0	0	0	109.2	I209 H212 M214 L234 I237 P238 V243	I209-I240 HydrophobicContact CD1-CD1 4.45Å; I209-I240 HydrophobicContact CG1-CD1 4.33Å; I209-I240 HydrophobicContact CG2-CD1 3.83Å; H212-I240 WeakPolarHBondContact O-CA 3.43Å; M214-I240 HydrophobicContact CB-CD1 3.98Å; M214-I240 HydrophobicContact CB-CG1 4.2Å; M214-I240 HydrophobicContact CB-CG2 3.85Å; L234-I240 HydrophobicContact CD1-CG2 4.33Å; L234-I240 WeakPolarHBondContact CD1-O 3.39Å; I237-I240 HydrophobicContact CB-CG1 3.75Å; I237-I240 HydrophobicContact CG2-CD1 4.3Å; I237-I240 HydrophobicContact CG2-CG1 3.51Å; P238-I240 PolarHBondContact O-N 3.17Å; P238-I240 VanDerWaalsContact O-N 3.16Å; I240-V243 HydrophobicContact CG2-CG2 3.63Å
241	R	98	Very high	87.9	Confident	124 Å²	124	50.7 Å²	50.7	47%	0.468	27%	0.265	S	S	.	.			trans	-124.2	-19.4	176.3	-53.1	177.7	-65.5	152.7	10.2	112.6	H212 G264 V265 D267	H212-R241 HydrophobicContact CB-CB 4.38Å; H212-R241 HydrophobicContact CB-CG 4.21Å; H212-R241 PolarHBondContact CE1-NH2 2.71Å; H212-R241 VanDerWaalsContact CG-NH2 3.27Å; H212-R241 PolarHBondContact ND1-NH2 3.1Å; H212-R241 PolarHBondContact NE2-NH2 3.11Å; H212-R241 PolarHBondContact O-N 2.99Å; R241-G264 VanDerWaalsContact O-CA 3.3Å; R241-G264 WeakPolarHBondContact O-CA 3.44Å; R241-V265 HydrophobicContact CB-CG2 4.28Å; R241-V265 PolarHBondContact O-N 2.84Å; R241-D267 IonicContact CZ-OD2 3.75Å; R241-D267 IonicContact NH1-OD2 3.28Å; R241-D267 IonicContact NH2-OD2 2.95Å; R241-D267 PolarHBondContact NH2-OD2 3.18Å
242	T	98.4	Very high	86.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124	-176.8	-51.3	0	0	0	0	107.9	H212 V213 M214 I244 L261 V265 D267 Y268	H212-T242 PolarHBondContact CD2-OG1 2.94Å; H212-T242 PolarHBondContact NE2-OG1 3.24Å; H212-T242 PolarHBondContact O-N 3.34Å; V213-T242 WeakPolarHBondContact CA-O 3.34Å; V213-T242 HydrophobicContact CG1-CG2 4.09Å; V213-T242 HydrophobicContact CG2-CG2 4.44Å; M214-T242 PolarHBondContact N-O 2.99Å; T242-I244 HydrophobicContact CG2-CG2 4Å; T242-L261 HydrophobicContact CG2-CD1 3.84Å; T242-V265 WeakPolarHBondContact CB-O 3.24Å; T242-V265 VanDerWaalsContact CG2-O 3.25Å; T242-V265 WeakPolarHBondContact CG2-O 3.27Å; T242-V265 PolarHBondContact OG1-O 2.83Å; T242-D267 PolarHBondContact OG1-O 3.4Å; T242-Y268 HydrophobicContact CG2-CD1 4.08Å; T242-Y268 HydrophobicContact CG2-CE1 4Å
243	V	98.1	Very high	85.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.6	175.3	-171.1	0	0	0	0	109.1	M214 F216 A233 L234 I240 L262 A263	M214-V243 HydrophobicContact CB-CG1 4.44Å; M214-V243 HydrophobicContact CB-CG2 4.45Å; M214-V243 WeakPolarHBondContact O-CA 3.48Å; F216-V243 HydrophobicContact CD2-CG1 3.71Å; F216-V243 HydrophobicContact CE2-CG1 3.55Å; A233-V243 HydrophobicContact CB-CG1 4.24Å; A233-V243 HydrophobicContact CB-CG2 4.23Å; L234-V243 HydrophobicContact CB-CG2 4.12Å; L234-V243 HydrophobicContact CD1-CG2 4.38Å; I240-V243 HydrophobicContact CG2-CG2 3.63Å; V243-L262 HydrophobicContact CB-CB 4.5Å; V243-L262 HydrophobicContact CG1-CB 4.3Å; V243-L262 HydrophobicContact CG1-CD1 4.35Å; V243-L262 PolarHBondContact O-N 2.77Å; V243-A263 HydrophobicContact CB-CB 4.35Å; V243-A263 PolarHBondContact N-O 3.26Å; V243-A263 PolarHBondContact O-N 2.89Å
244	I	96.2	Very high	84.7	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	156.1	-176.1	60	162.5	0	0	0	111.8	V213 M214 Q215 F216 T242 M259 E260 L261 Y268 I283	V213-I244 HydrophobicContact CG1-CD1 4.2Å; V213-I244 HydrophobicContact CG1-CG1 3.98Å; M214-I244 PolarHBondContact O-N 3.2Å; Q215-I244 WeakPolarHBondContact CA-O 3.29Å; Q215-I244 HydrophobicContact CB-CD1 4.07Å; Q215-I244 HydrophobicContact CB-CG1 3.92Å; Q215-I244 HydrophobicContact CG-CD1 3.91Å; Q215-I244 HydrophobicContact CG-CG1 4.04Å; F216-I244 PolarHBondContact N-O 3.23Å; T242-I244 HydrophobicContact CG2-CG2 4Å; I244-M259 HydrophobicContact CD1-CB 4.35Å; I244-M259 HydrophobicContact CD1-CE 4.1Å; I244-M259 HydrophobicContact CD1-CG 4.13Å; I244-M259 HydrophobicContact CD1-SD 3.27Å; I244-M259 WeakPolarHBondContact CD1-SD 3.48Å; I244-E260 CarbonylContact C-O 3.49Å; I244-E260 WeakPolarHBondContact CA-O 3.27Å; I244-E260 WeakPolarHBondContact CB-O 3.48Å; I244-L261 HydrophobicContact CG2-CD1 4.23Å; I244-Y268 HydrophobicContact CG2-CD1 4.46Å; I244-Y268 HydrophobicContact CG2-CE1 3.92Å; I244-I283 HydrophobicContact CD1-CD1 3.5Å; I244-I283 HydrophobicContact CG1-CD1 4.45Å
245	H	93.7	Very high	83.6	Confident	15 Å²	15	59.3 Å²	59.3	7%	0.069	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.9	164.7	179.2	42.9	0	0	0	109.5	F216 L218 L223 M259 E260 L262	F216-H245 WeakPolarHBondContact O-CA 3.38Å; F216-H245 PolarHBondContact O-ND1 3.18Å; L218-H245 PolarHBondContact N-CE1 3.18Å; L218-H245 VanDerWaalsContact N-CE1 3.35Å; L218-H245 PolarHBondContact N-ND1 3.15Å; L223-H245 VanDerWaalsContact CD2-NE2 3.33Å; L223-H245 WeakPolarHBondContact CD2-NE2 2.99Å; H245-M259 VanDerWaalsContact O-CA 3.28Å; H245-M259 WeakPolarHBondContact O-CA 3.45Å; H245-E260 HydrophobicContact CB-CB 4.4Å; H245-E260 PolarHBondContact N-O 2.67Å; H245-E260 PolarHBondContact O-N 3.09Å; H245-L262 HydrophobicContact CB-CD1 3.94Å; H245-L262 HydrophobicContact CB-CD2 3.76Å; H245-L262 HydrophobicContact CB-CG 3.92Å
246	K	88.1	Confident	82.7	Confident	28 Å²	28	59.2 Å²	59.2	12%	0.122	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	117.9	169.2	163.8	165.5	-173.2	158.8	0	109.7	Q215 F216 N217 F257	Q215-K246 HydrophobicContact CG-CB 4.08Å; F216-K246 PolarHBondContact O-N 3.06Å; N217-K246 WeakPolarHBondContact OD1-CB 3.38Å; K246-F257 HydrophobicContact CB-CD2 3.66Å; K246-F257 HydrophobicContact CB-CE2 3.62Å; K246-F257 HydrophobicContact CD-CB 4.38Å; K246-F257 HydrophobicContact CD-CD1 3.98Å; K246-F257 HydrophobicContact CD-CD2 3.54Å; K246-F257 HydrophobicContact CD-CE1 4.11Å; K246-F257 HydrophobicContact CD-CE2 3.64Å; K246-F257 HydrophobicContact CD-CG 3.7Å; K246-F257 HydrophobicContact CD-CZ 3.95Å; K246-F257 HydrophobicContact CG-CB 4.27Å; K246-F257 HydrophobicContact CG-CD2 3.34Å; K246-F257 HydrophobicContact CG-CE2 3.71Å; K246-F257 HydrophobicContact CG-CG 3.84Å; K246-F257 VanDerWaalsContact NZ-CD1 3.29Å
247	V	79.2	Confident	81.7	Confident	40 Å²	40	59.4 Å²	59.4	24%	0.242	32%	0.317	C	S	.	.			trans	-74.2	143.9	170.3	-171.2	0	0	0	0	108.6	N249 E258	V247-N249 PolarHBondContact O-N 3.04Å; V247-E258 HydrophobicContact CB-CB 4.17Å; V247-E258 WeakPolarHBondContact CB-O 3.48Å; V247-E258 HydrophobicContact CG2-CB 4.34Å; V247-E258 HydrophobicContact CG2-CG 4.37Å; V247-E258 PolarHBondContact N-O 2.79Å
248	S	66.2	Low	81.2	Confident	102 Å²	102	64.6 Å²	64.6	71%	0.713	34%	0.34	S	S	*	.	S	Bend	trans	-68.6	-15.1	-167.7	50.4	0	0	0	0	115.5	I250	S248-I250 PolarHBondContact O-N 3.49Å
249	N	61.8	Low	81	Confident	87 Å²	87	61.8 Å²	61.8	47%	0.465	32%	0.319	S	S	.	.			trans	-79.6	108.2	-173.1	-70.6	2	0	0	0	110.9	V247	V247-N249 PolarHBondContact O-N 3.04Å
250	I	59.6	Low	81	Confident	48 Å²	48	57.9 Å²	57.9	25%	0.246	30%	0.296	C	S	.	.			trans	-108.8	78.2	166.7	-50.6	174.7	0	0	0	106.9	S248 R255 F257	S248-I250 PolarHBondContact O-N 3.49Å; I250-R255 HydrophobicContact CG2-CB 4.1Å; I250-F257 HydrophobicContact CG1-CB 4.36Å
251	E	58.8	Low	80.8	Confident	167 Å²	167	59.9 Å²	59.9	78%	0.78	31%	0.307	S	S	*	.			trans	-104.4	-10.5	179.9	-68.1	-177.2	179.8	0	0	112.8
252	S	67.5	Low	80.7	Confident	39 Å²	39	54.5 Å²	54.5	27%	0.273	29%	0.287	S	S	.	.	S	Bend	trans	-76.4	144.8	179.6	78.4	0	0	0	0	112.1	Y254 R255 T256	S252-Y254 PolarHBondContact O-N 3.09Å; S252-R255 PolarHBondContact O-N 2.87Å; S252-R255 PolarHBondContact OG-N 3.47Å; S252-R255 VanDerWaalsContact OG-N 3.09Å; S252-T256 PolarHBondContact OG-N 3.41Å; S252-T256 VanDerWaalsContact OG-N 3.11Å; S252-T256 PolarHBondContact OG-O 2.95Å; S252-T256 PolarHBondContact OG-OG1 3.39Å
253	A	70.1	Confident	80.5	Confident	78 Å²	78	54.9 Å²	54.9	65%	0.645	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.6	170.1	0	0	0	0	0	112.1	R255 L352	A253-R255 VanDerWaalsContact C-N 3.32Å; A253-L352 HydrophobicContact CB-CD2 4.48Å
254	Y	79.1	Confident	80.4	Confident	114 Å²	114	56.5 Å²	56.5	45%	0.447	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.6	176.7	-55.4	-43.2	0	0	0	114.2	S252 T256 L352 N353	S252-Y254 PolarHBondContact O-N 3.09Å; Y254-T256 PolarHBondContact O-N 3.04Å; Y254-L352 HydrophobicContact CD1-CG 4.34Å; Y254-L352 HydrophobicContact CE1-CG 4.12Å; Y254-N353 HydrophobicContact CD1-CB 3.79Å; Y254-N353 HydrophobicContact CG-CB 4.18Å
255	R	73.4	Confident	80.5	Confident	68 Å²	68	60.2 Å²	60.2	26%	0.257	33%	0.33	S	S	.	.			trans	58.5	18.5	177.6	-51.3	-68.3	-72.2	170.7	-1.8	114.1	I250 S252 A253 L426	I250-R255 HydrophobicContact CG2-CB 4.1Å; S252-R255 PolarHBondContact O-N 2.87Å; S252-R255 PolarHBondContact OG-N 3.47Å; S252-R255 VanDerWaalsContact OG-N 3.09Å; A253-R255 VanDerWaalsContact C-N 3.32Å; R255-L426 HydrophobicContact CG-CD1 4.22Å
256	T	74.6	Confident	80.6	Confident	38 Å²	38	63.8 Å²	63.8	23%	0.233	35%	0.354	C	S	.	.			trans	-66.8	149	165.6	53.6	0	0	0	0	109	S252 Y254 K285	S252-T256 PolarHBondContact OG-N 3.41Å; S252-T256 VanDerWaalsContact OG-N 3.11Å; S252-T256 PolarHBondContact OG-O 2.95Å; S252-T256 PolarHBondContact OG-OG1 3.39Å; Y254-T256 PolarHBondContact O-N 3.04Å; T256-K285 VanDerWaalsContact CG2-C 3.47Å; T256-K285 WeakPolarHBondContact CG2-O 3.12Å
257	F	75.1	Confident	81.1	Confident	17 Å²	17	64.8 Å²	64.8	8%	0.075	36%	0.361	C	S	.	.			trans	-119.2	148	177.1	48	-85.2	0	0	0	108.2	K246 I250 M259 Y287	K246-F257 HydrophobicContact CB-CD2 3.66Å; K246-F257 HydrophobicContact CB-CE2 3.62Å; K246-F257 HydrophobicContact CD-CB 4.38Å; K246-F257 HydrophobicContact CD-CD1 3.98Å; K246-F257 HydrophobicContact CD-CD2 3.54Å; K246-F257 HydrophobicContact CD-CE1 4.11Å; K246-F257 HydrophobicContact CD-CE2 3.64Å; K246-F257 HydrophobicContact CD-CG 3.7Å; K246-F257 HydrophobicContact CD-CZ 3.95Å; K246-F257 HydrophobicContact CG-CB 4.27Å; K246-F257 HydrophobicContact CG-CD2 3.34Å; K246-F257 HydrophobicContact CG-CE2 3.71Å; K246-F257 HydrophobicContact CG-CG 3.84Å; K246-F257 VanDerWaalsContact NZ-CD1 3.29Å; I250-F257 HydrophobicContact CG1-CB 4.36Å; F257-M259 HydrophobicContact CD2-CG 3.32Å; F257-M259 HydrophobicContact CD2-SD 3.85Å; F257-M259 HydrophobicContact CE2-CG 3.3Å; F257-M259 HydrophobicContact CE2-SD 3.21Å; F257-M259 WeakPolarHBondContact CE2-SD 3.35Å; F257-M259 HydrophobicContact CG-CG 4.44Å; F257-M259 HydrophobicContact CZ-CG 4.38Å; F257-M259 HydrophobicContact CZ-SD 3.79Å; F257-Y287 HydrophobicContact CE1-CD2 4.45Å
258	E	83	Confident	81.9	Confident	141 Å²	141	65.8 Å²	65.8	66%	0.659	36%	0.361	S	S	*	.			trans	-65.4	139.7	169.3	-171.8	178.4	-179.1	0	0	109.4	V247	V247-E258 HydrophobicContact CB-CB 4.17Å; V247-E258 WeakPolarHBondContact CB-O 3.48Å; V247-E258 HydrophobicContact CG2-CB 4.34Å; V247-E258 HydrophobicContact CG2-CG 4.37Å; V247-E258 PolarHBondContact N-O 2.79Å
259	M	88.7	Confident	83.4	Confident	36 Å²	36	65.1 Å²	65.1	18%	0.177	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.6	-176.6	-58.1	-175.9	-45.9	0	0	110	I244 H245 F257 Y268 I283 S284	I244-M259 HydrophobicContact CD1-CB 4.35Å; I244-M259 HydrophobicContact CD1-CE 4.1Å; I244-M259 HydrophobicContact CD1-CG 4.13Å; I244-M259 HydrophobicContact CD1-SD 3.27Å; I244-M259 WeakPolarHBondContact CD1-SD 3.48Å; H245-M259 VanDerWaalsContact O-CA 3.28Å; H245-M259 WeakPolarHBondContact O-CA 3.45Å; F257-M259 HydrophobicContact CD2-CG 3.32Å; F257-M259 HydrophobicContact CD2-SD 3.85Å; F257-M259 HydrophobicContact CE2-CG 3.3Å; F257-M259 HydrophobicContact CE2-SD 3.21Å; F257-M259 WeakPolarHBondContact CE2-SD 3.35Å; F257-M259 HydrophobicContact CG-CG 4.44Å; F257-M259 HydrophobicContact CZ-CG 4.38Å; F257-M259 HydrophobicContact CZ-SD 3.79Å; M259-Y268 HydrophobicContact CE-CD1 4.37Å; M259-I283 HydrophobicContact CE-CD1 4.38Å; M259-I283 HydrophobicContact CE-CG1 4.26Å; M259-I283 HydrophobicContact SD-CD1 4.39Å; M259-S284 VanDerWaalsContact CE-CB 3.48Å
260	E	93.1	Very high	85.1	Confident	60 Å²	60	61.2 Å²	61.2	28%	0.28	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.2	171.3	-177.1	-173.7	-176.7	0	0	108.9	R226 H227 I244 H245 L262	R226-E260 VanDerWaalsContact CD-OE2 3.32Å; R226-E260 WeakPolarHBondContact CD-OE2 3.4Å; R226-E260 IonicContact CZ-OE1 3.94Å; R226-E260 IonicContact NE-OE1 2.68Å; R226-E260 PolarHBondContact NE-OE1 3.48Å; R226-E260 IonicContact NE-OE2 3.25Å; R226-E260 PolarHBondContact NE-OE2 2.97Å; R226-E260 VanDerWaalsContact NE-OE2 3.12Å; R226-E260 IonicContact NH2-OE1 2.83Å; H227-E260 IonicContact CE1-OE1 3.85Å; H227-E260 IonicContact NE2-OE1 2.81Å; I244-E260 CarbonylContact C-O 3.49Å; I244-E260 WeakPolarHBondContact CA-O 3.27Å; I244-E260 WeakPolarHBondContact CB-O 3.48Å; H245-E260 HydrophobicContact CB-CB 4.4Å; H245-E260 PolarHBondContact N-O 2.67Å; H245-E260 PolarHBondContact O-N 3.09Å; E260-L262 HydrophobicContact CG-CD2 4.31Å; E260-L262 PolarHBondContact O-N 2.82Å
261	L	95.2	Very high	86.9	Confident	56 Å²	56	61.4 Å²	61.4	29%	0.293	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.9	169	-176.7	72	0	0	0	109	T242 I244 P266	T242-L261 HydrophobicContact CG2-CD1 3.84Å; I244-L261 HydrophobicContact CG2-CD1 4.23Å; L261-P266 HydrophobicContact CD2-CB 4.13Å
262	L	94.8	Very high	88.6	Confident	10 Å²	10	54.4 Å²	54.4	5%	0.052	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-43.7	178.6	-59.7	-173.5	0	0	0	112.2	F216 L218 R226 H227 V243 H245 E260	F216-L262 HydrophobicContact CD2-CD1 4.31Å; L218-L262 HydrophobicContact CD1-CD1 4.27Å; R226-L262 HydrophobicContact CB-CD1 4.35Å; R226-L262 HydrophobicContact CB-CD2 3.74Å; R226-L262 HydrophobicContact CG-CD2 3.76Å; H227-L262 PolarHBondContact ND1-O 2.81Å; V243-L262 HydrophobicContact CB-CB 4.5Å; V243-L262 HydrophobicContact CG1-CB 4.3Å; V243-L262 HydrophobicContact CG1-CD1 4.35Å; V243-L262 PolarHBondContact O-N 2.77Å; H245-L262 HydrophobicContact CB-CD1 3.94Å; H245-L262 HydrophobicContact CB-CD2 3.76Å; H245-L262 HydrophobicContact CB-CG 3.92Å; E260-L262 HydrophobicContact CG-CD2 4.31Å; E260-L262 PolarHBondContact O-N 2.82Å
263	A	95.2	Very high	89.9	Confident	9 Å²	9	61.2 Å²	61.2	7%	0.074	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	160.5	-179.2	0	0	0	0	0	111.6	L234 V243	L234-A263 HydrophobicContact CB-CB 4.45Å; L234-A263 HydrophobicContact CD2-CB 4.34Å; V243-A263 HydrophobicContact CB-CB 4.35Å; V243-A263 PolarHBondContact N-O 3.26Å; V243-A263 PolarHBondContact O-N 2.89Å
264	G	96.2	Very high	91	Very high	34 Å²	34	58.4 Å²	58.4	35%	0.351	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.3	-157.1	178.2	0	0	0	0	0	113.3	R241	R241-G264 VanDerWaalsContact O-CA 3.3Å; R241-G264 WeakPolarHBondContact O-CA 3.44Å
265	V	96.8	Very high	91.3	Very high	77 Å²	77	55.3 Å²	55.3	47%	0.467	29%	0.285	S	S	.	.			trans	-92.4	146.6	-177.4	-65.4	0	0	0	0	111.4	R241 T242 D267	R241-V265 HydrophobicContact CB-CG2 4.28Å; R241-V265 PolarHBondContact O-N 2.84Å; T242-V265 WeakPolarHBondContact CB-O 3.24Å; T242-V265 VanDerWaalsContact CG2-O 3.25Å; T242-V265 WeakPolarHBondContact CG2-O 3.27Å; T242-V265 PolarHBondContact OG1-O 2.83Å; V265-D267 HydrophobicContact CG2-CB 3.96Å; V265-D267 PolarHBondContact O-N 3.12Å
266	P	96.6	Very high	92.2	Very high	90 Å²	90	58.1 Å²	58.1	58%	0.584	31%	0.305	S	S	*	.			trans	-75.8	50.9	174.9	32.5	-35.9	0	0	0	112.3	L261 Y268	L261-P266 HydrophobicContact CD2-CB 4.13Å; P266-Y268 HydrophobicContact CB-CE2 4.19Å
267	D	97.8	Very high	93.2	Very high	50 Å²	50	56.6 Å²	56.6	27%	0.267	30%	0.296	S	S	.	.			trans	-98.2	103.6	173.2	179.2	16	0	0	0	109.6	H212 R241 T242 V265 I269	H212-D267 IonicContact CE1-OD2 3.52Å; H212-D267 PolarHBondContact CE1-OD2 3.16Å; H212-D267 PolarHBondContact NE2-O 3.19Å; H212-D267 IonicContact NE2-OD2 3.55Å; H212-D267 PolarHBondContact NE2-OD2 2.86Å; R241-D267 IonicContact CZ-OD2 3.75Å; R241-D267 IonicContact NH1-OD2 3.28Å; R241-D267 IonicContact NH2-OD2 2.95Å; R241-D267 PolarHBondContact NH2-OD2 3.18Å; T242-D267 PolarHBondContact OG1-O 3.4Å; V265-D267 HydrophobicContact CG2-CB 3.96Å; V265-D267 PolarHBondContact O-N 3.12Å; D267-I269 PolarHBondContact OD1-N 2.86Å
268	Y	96.8	Very high	94.2	Very high	60 Å²	60	58.4 Å²	58.4	24%	0.235	31%	0.308	C	S	.	.			trans	-99	-5.7	-177.5	-51	-56.6	0	0	0	113.4	T242 I244 M259 P266 T270 D282 I283	T242-Y268 HydrophobicContact CG2-CD1 4.08Å; T242-Y268 HydrophobicContact CG2-CE1 4Å; I244-Y268 HydrophobicContact CG2-CD1 4.46Å; I244-Y268 HydrophobicContact CG2-CE1 3.92Å; M259-Y268 HydrophobicContact CE-CD1 4.37Å; P266-Y268 HydrophobicContact CB-CE2 4.19Å; Y268-T270 PolarHBondContact O-N 2.84Å; Y268-D282 WeakPolarHBondContact CB-OD1 3.49Å; Y268-D282 WeakPolarHBondContact O-CA 3.48Å; Y268-I283 HydrophobicContact CD1-CD1 4.46Å; Y268-I283 HydrophobicContact CD1-CG1 4.43Å; Y268-I283 WeakPolarHBondContact O-CG1 3.49Å; Y268-I283 PolarHBondContact O-N 2.86Å
269	I	98.2	Very high	95	Very high	88 Å²	88	51.7 Å²	51.7	45%	0.451	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	109	176.4	-62.1	177.4	0	0	0	108.4	H212 D267 L281 D282 W359	H212-I269 PolarHBondContact CE1-O 2.82Å; H212-I269 VanDerWaalsContact CE1-O 3.26Å; D267-I269 PolarHBondContact OD1-N 2.86Å; I269-L281 CarbonylContact C-O 3.5Å; I269-L281 WeakPolarHBondContact CA-O 3.21Å; I269-D282 HydrophobicContact CG1-CB 4.17Å; I269-W359 HydrophobicContact CG1-CZ2 4.36Å; I269-W359 HydrophobicContact CG2-CH2 3.69Å; I269-W359 HydrophobicContact CG2-CZ2 4.06Å
270	T	97.6	Very high	95.4	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	174.6	-174.3	-169.5	0	0	0	0	111.3	I210 G211 H212 V213 Y268 H280 L281 I283	I210-T270 HydrophobicContact CB-CG2 4.36Å; I210-T270 HydrophobicContact CG2-CG2 3.74Å; I210-T270 WeakPolarHBondContact O-CG2 3.34Å; I210-T270 PolarHBondContact O-OG1 2.92Å; G211-T270 VanDerWaalsContact CA-OG1 3.29Å; G211-T270 WeakPolarHBondContact CA-OG1 3.44Å; H212-T270 PolarHBondContact N-OG1 3.15Å; H212-T270 PolarHBondContact ND1-OG1 3.43Å; V213-T270 HydrophobicContact CG2-CG2 4.33Å; Y268-T270 PolarHBondContact O-N 2.84Å; T270-H280 WeakPolarHBondContact O-CA 3.47Å; T270-L281 HydrophobicContact CG2-CD2 3.59Å; T270-L281 HydrophobicContact CG2-CG 4.13Å; T270-L281 PolarHBondContact N-O 2.95Å; T270-L281 PolarHBondContact O-N 3.47Å; T270-L281 VanDerWaalsContact O-N 3.09Å; T270-I283 HydrophobicContact CG2-CG2 3.71Å
271	S	97	Very high	95.7	Very high	53 Å²	53	49.7 Å²	49.7	37%	0.371	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.9	173.1	68.2	0	0	0	0	111.1	G211 F279 H280	G211-S271 WeakPolarHBondContact CA-O 3.27Å; S271-F279 CarbonylContact C-O 3.49Å; S271-F279 VanDerWaalsContact CA-O 3.24Å; S271-F279 WeakPolarHBondContact CA-O 3.33Å; S271-H280 WeakPolarHBondContact CB-ND1 3.32Å
272	M	95	Very high	95.7	Very high	19 Å²	19	47.9 Å²	47.9	9%	0.094	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.9	174.2	69.8	179.3	-143	0	0	111	I210 E274 T278 F279 P290	I210-M272 HydrophobicContact CG2-CB 4.47Å; I210-M272 HydrophobicContact CG2-SD 3.99Å; M272-E274 HydrophobicContact CE-CB 4.28Å; M272-E274 WeakPolarHBondContact CE-OE2 3.18Å; M272-T278 CarbonylContact O-C 3.56Å; M272-T278 WeakPolarHBondContact O-CA 3.18Å; M272-F279 HydrophobicContact CE-CD2 4.46Å; M272-F279 HydrophobicContact CG-CB 4.23Å; M272-F279 PolarHBondContact N-O 3.11Å; M272-F279 PolarHBondContact O-N 3.05Å; M272-P290 HydrophobicContact CE-CB 4.39Å; M272-P290 HydrophobicContact SD-CB 4.04Å
273	R	94.5	Very high	95.7	Very high	183 Å²	183	47.7 Å²	47.7	69%	0.691	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.7	172.6	-173	175.3	171.8	-179.8	-2.9	109.8	N276 M277	R273-N276 PolarHBondContact NH2-OD1 3.47Å; R273-M277 CarbonylContact C-O 3.29Å; R273-M277 VanDerWaalsContact CA-O 3.24Å; R273-M277 WeakPolarHBondContact CA-O 3.34Å; R273-M277 WeakPolarHBondContact CG-O 3.42Å
274	E	93	Very high	95.5	Very high	18 Å²	18	49.2 Å²	49.2	8%	0.084	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	134.9	174.7	-168.7	-166.2	111.2	0	0	108.4	M272 N276 M277 F279 G293 H296	M272-E274 HydrophobicContact CE-CB 4.28Å; M272-E274 WeakPolarHBondContact CE-OE2 3.18Å; E274-N276 VanDerWaalsContact C-N 3.25Å; E274-N276 PolarHBondContact O-N 3.06Å; E274-N276 VanDerWaalsContact O-N 3.15Å; E274-M277 PolarHBondContact N-O 2.6Å; E274-M277 WeakPolarHBondContact O-CA 3.49Å; E274-M277 WeakPolarHBondContact O-CB 3.46Å; E274-M277 PolarHBondContact O-N 3.28Å; E274-M277 VanDerWaalsContact O-O 3.11Å; E274-F279 HydrophobicContact CB-CD2 4.24Å; E274-F279 HydrophobicContact CB-CE2 3.99Å; E274-G293 WeakPolarHBondContact OE2-CA 3.44Å; E274-H296 VanDerWaalsContact OE1-CB 3.3Å; E274-H296 WeakPolarHBondContact OE1-CB 3.47Å; E274-H296 IonicContact OE1-CE1 2.82Å; E274-H296 IonicContact OE1-CG 2.69Å; E274-H296 IonicContact OE1-ND1 3.69Å; E274-H296 PolarHBondContact OE1-ND1 3.28Å; E274-H296 IonicContact OE2-CE1 2.65Å; E274-H296 IonicContact OE2-ND1 3.68Å; E274-H296 PolarHBondContact OE2-ND1 3.46Å
275	N	85.9	Confident	95.3	Very high	50 Å²	50	51.9 Å²	51.9	27%	0.267	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	39	176.7	-63.5	-36.9	0	0	0	114.5	M277 T297	N275-M277 PolarHBondContact O-N 3.09Å; N275-T297 VanDerWaalsContact CG-OG1 3.3Å; N275-T297 PolarHBondContact ND2-N 3.33Å; N275-T297 PolarHBondContact ND2-OG1 2.7Å; N275-T297 PolarHBondContact OD1-OG1 3.15Å
276	N	90.7	Very high	95.1	Very high	126 Å²	126	48.3 Å²	48.3	67%	0.674	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	15.8	-174.7	-62.5	-46.2	0	0	0	115.4	R273 E274	R273-N276 PolarHBondContact NH2-OD1 3.47Å; E274-N276 VanDerWaalsContact C-N 3.25Å; E274-N276 PolarHBondContact O-N 3.06Å; E274-N276 VanDerWaalsContact O-N 3.15Å
277	M	96	Very high	94.8	Very high	7 Å²	7	48.8 Å²	48.8	3%	0.034	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149	171.9	-59	-56.4	-171.8	0	0	110.2	R273 E274 N275 F279 I338 P339 R342 N367	R273-M277 CarbonylContact C-O 3.29Å; R273-M277 VanDerWaalsContact CA-O 3.24Å; R273-M277 WeakPolarHBondContact CA-O 3.34Å; R273-M277 WeakPolarHBondContact CG-O 3.42Å; E274-M277 PolarHBondContact N-O 2.6Å; E274-M277 WeakPolarHBondContact O-CA 3.49Å; E274-M277 WeakPolarHBondContact O-CB 3.46Å; E274-M277 PolarHBondContact O-N 3.28Å; E274-M277 VanDerWaalsContact O-O 3.11Å; N275-M277 PolarHBondContact O-N 3.09Å; M277-F279 HydrophobicContact CB-CD2 4.37Å; M277-F279 HydrophobicContact CB-CE2 3.58Å; M277-F279 HydrophobicContact CB-CZ 3.7Å; M277-F279 HydrophobicContact CG-CZ 4.39Å; M277-I338 HydrophobicContact CE-CG2 4.28Å; M277-I338 HydrophobicContact CG-CG2 4.2Å; M277-I338 HydrophobicContact SD-CG2 4.19Å; M277-P339 HydrophobicContact CG-CG 4.07Å; M277-R342 HydrophobicContact CE-CB 3.25Å; M277-R342 HydrophobicContact CE-CG 3.46Å; M277-R342 VanDerWaalsContact CE-CG 3.46Å; M277-N367 WeakPolarHBondContact CA-OD1 3.31Å; M277-N367 HydrophobicContact SD-CB 4.1Å; M277-N367 PolarHBondContact SD-OD1 3.32Å
278	T	97.3	Very high	94.4	Very high	54 Å²	54	47.2 Å²	47.2	33%	0.331	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.5	173.3	-58.7	0	0	0	0	109	M272 N367	M272-T278 CarbonylContact O-C 3.56Å; M272-T278 WeakPolarHBondContact O-CA 3.18Å; T278-N367 PolarHBondContact N-OD1 3.45Å; T278-N367 PolarHBondContact O-ND2 2.65Å
279	F	98.2	Very high	94	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.3	178.1	-60.3	-84.7	0	0	0	109.5	S271 M272 E274 M277 I333 G334 I338 P339 N363	S271-F279 CarbonylContact C-O 3.49Å; S271-F279 VanDerWaalsContact CA-O 3.24Å; S271-F279 WeakPolarHBondContact CA-O 3.33Å; M272-F279 HydrophobicContact CE-CD2 4.46Å; M272-F279 HydrophobicContact CG-CB 4.23Å; M272-F279 PolarHBondContact N-O 3.11Å; M272-F279 PolarHBondContact O-N 3.05Å; E274-F279 HydrophobicContact CB-CD2 4.24Å; E274-F279 HydrophobicContact CB-CE2 3.99Å; M277-F279 HydrophobicContact CB-CD2 4.37Å; M277-F279 HydrophobicContact CB-CE2 3.58Å; M277-F279 HydrophobicContact CB-CZ 3.7Å; M277-F279 HydrophobicContact CG-CZ 4.39Å; F279-I333 HydrophobicContact CB-CD1 3.79Å; F279-I333 HydrophobicContact CB-CG1 4.36Å; F279-I333 HydrophobicContact CD1-CD1 4.46Å; F279-I333 HydrophobicContact CD1-CG1 4.15Å; F279-I333 HydrophobicContact CG-CD1 4.32Å; F279-I333 HydrophobicContact CG-CG1 4.49Å; F279-G334 WeakPolarHBondContact CE1-O 3.45Å; F279-I338 HydrophobicContact CD1-CD1 4.33Å; F279-I338 HydrophobicContact CE1-CB 4.22Å; F279-I338 HydrophobicContact CE1-CD1 3.91Å; F279-P339 HydrophobicContact CZ-CG 4.44Å; F279-N363 HydrophobicContact CD1-CB 4.42Å
280	H	98.4	Very high	93.6	Very high	55 Å²	55	43.3 Å²	43.3	26%	0.255	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	143.9	169.9	-61.7	-95.9	0	0	0	109.8	T270 S271 W359 N363	T270-H280 WeakPolarHBondContact O-CA 3.47Å; S271-H280 WeakPolarHBondContact CB-ND1 3.32Å; H280-W359 VanDerWaalsContact C-CE3 3.49Å; H280-W359 HydrophobicContact CB-CE3 3.78Å; H280-W359 HydrophobicContact CB-CH2 4.41Å; H280-W359 HydrophobicContact CB-CZ3 3.47Å; H280-W359 VanDerWaalsContact CB-CZ3 3.47Å; H280-W359 VanDerWaalsContact O-CE3 3.28Å; H280-N363 PolarHBondContact N-OD1 2.65Å; H280-N363 PolarHBondContact O-ND2 3.46Å; H280-N363 PolarHBondContact O-OD1 3.49Å
281	L	97.9	Very high	93.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	156.5	-179.1	70.5	169.5	0	0	0	111.3	I210 I269 T270 I283 C288 I333	I210-L281 HydrophobicContact CG2-CD1 4.45Å; I210-L281 HydrophobicContact CG2-CD2 4.08Å; I269-L281 CarbonylContact C-O 3.5Å; I269-L281 WeakPolarHBondContact CA-O 3.21Å; T270-L281 HydrophobicContact CG2-CD2 3.59Å; T270-L281 HydrophobicContact CG2-CG 4.13Å; T270-L281 PolarHBondContact N-O 2.95Å; T270-L281 PolarHBondContact O-N 3.47Å; T270-L281 VanDerWaalsContact O-N 3.09Å; L281-I283 HydrophobicContact CD1-CG2 3.94Å; L281-I283 HydrophobicContact CG-CG2 4.02Å; L281-C288 HydrophobicContact CD1-CB 3.23Å; L281-I333 HydrophobicContact CB-CD1 4.36Å; L281-I333 HydrophobicContact CB-CG2 4Å; L281-I333 HydrophobicContact CD1-CD1 4.04Å
282	D	96.5	Very high	93	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	108.6	161.2	-176.1	-16.9	0	0	0	107.9	Y268 I269 S284 K285 V286 W359	Y268-D282 WeakPolarHBondContact CB-OD1 3.49Å; Y268-D282 WeakPolarHBondContact O-CA 3.48Å; I269-D282 HydrophobicContact CG1-CB 4.17Å; D282-S284 VanDerWaalsContact CG-OG 3.28Å; D282-S284 PolarHBondContact O-N 2.99Å; D282-S284 WeakPolarHBondContact OD1-CB 3.32Å; D282-S284 PolarHBondContact OD1-N 3.38Å; D282-S284 PolarHBondContact OD1-OG 2.97Å; D282-S284 PolarHBondContact OD2-OG 3.39Å; D282-K285 HydrophobicContact CB-CB 4.41Å; D282-K285 HydrophobicContact CB-CG 4.44Å; D282-K285 PolarHBondContact O-N 2.89Å; D282-K285 VanDerWaalsContact O-N 3.08Å; D282-K285 WeakPolarHBondContact OD2-CE 3.3Å; D282-V286 PolarHBondContact O-N 3.08Å; D282-W359 HydrophobicContact CB-CZ2 4.08Å; D282-W359 VanDerWaalsContact N-CE2 3.31Å; D282-W359 VanDerWaalsContact N-NE1 3.14Å
283	I	93.3	Very high	92.9	Very high	6 Å²	6	46 Å²	46	3%	0.031	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.9	-176.5	62.3	160.7	0	0	0	113.1	I210 V213 I244 M259 Y268 T270 L281 K285	I210-I283 HydrophobicContact CB-CG2 4.48Å; I210-I283 HydrophobicContact CD1-CG2 4.25Å; I210-I283 HydrophobicContact CG2-CG2 4.2Å; V213-I283 HydrophobicContact CB-CD1 3.83Å; V213-I283 HydrophobicContact CG1-CD1 3.25Å; V213-I283 HydrophobicContact CG2-CD1 3.89Å; I244-I283 HydrophobicContact CD1-CD1 3.5Å; I244-I283 HydrophobicContact CG1-CD1 4.45Å; M259-I283 HydrophobicContact CE-CD1 4.38Å; M259-I283 HydrophobicContact CE-CG1 4.26Å; M259-I283 HydrophobicContact SD-CD1 4.39Å; Y268-I283 HydrophobicContact CD1-CD1 4.46Å; Y268-I283 HydrophobicContact CD1-CG1 4.43Å; Y268-I283 WeakPolarHBondContact O-CG1 3.49Å; Y268-I283 PolarHBondContact O-N 2.86Å; T270-I283 HydrophobicContact CG2-CG2 3.71Å; L281-I283 HydrophobicContact CD1-CG2 3.94Å; L281-I283 HydrophobicContact CG-CG2 4.02Å; I283-K285 VanDerWaalsContact C-N 3.29Å
284	S	91.9	Very high	92.9	Very high	42 Å²	42	42.9 Å²	42.9	29%	0.294	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.6	176.2	72.6	0	0	0	0	112.9	M259 D282	M259-S284 VanDerWaalsContact CE-CB 3.48Å; D282-S284 VanDerWaalsContact CG-OG 3.28Å; D282-S284 PolarHBondContact O-N 2.99Å; D282-S284 WeakPolarHBondContact OD1-CB 3.32Å; D282-S284 PolarHBondContact OD1-N 3.38Å; D282-S284 PolarHBondContact OD1-OG 2.97Å; D282-S284 PolarHBondContact OD2-OG 3.39Å
285	K	92.9	Very high	93.1	Very high	89 Å²	89	42.5 Å²	42.5	39%	0.387	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-17.4	-175.6	-55.4	-172.4	-174.2	-179.2	0	113.7	T256 D282 I283 N353 D355	T256-K285 VanDerWaalsContact CG2-C 3.47Å; T256-K285 WeakPolarHBondContact CG2-O 3.12Å; D282-K285 HydrophobicContact CB-CB 4.41Å; D282-K285 HydrophobicContact CB-CG 4.44Å; D282-K285 PolarHBondContact O-N 2.89Å; D282-K285 VanDerWaalsContact O-N 3.08Å; D282-K285 WeakPolarHBondContact OD2-CE 3.3Å; I283-K285 VanDerWaalsContact C-N 3.29Å; K285-N353 PolarHBondContact O-ND2 3.49Å; K285-D355 HydrophobicContact CB-CB 3.79Å; K285-D355 HydrophobicContact CD-CB 4.38Å; K285-D355 VanDerWaalsContact CD-OD1 3.22Å; K285-D355 WeakPolarHBondContact CD-OD1 3.2Å; K285-D355 IonicContact NZ-OD1 3.9Å
286	V	92.1	Very high	93.6	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	21%	0.212	C	C	.	.	S	Bend	trans	-131.6	132	-175.1	-177.6	0	0	0	0	111.5	D282 C288 I333 D355 S356	D282-V286 PolarHBondContact O-N 3.08Å; V286-C288 PolarHBondContact O-N 2.86Å; V286-I333 HydrophobicContact CB-CG2 4.4Å; V286-I333 HydrophobicContact CG1-CG2 3.47Å; V286-I333 VanDerWaalsContact CG1-CG2 3.47Å; V286-D355 HydrophobicContact CG2-CB 3.95Å; V286-S356 WeakPolarHBondContact CG1-OG 3.31Å
287	Y	88.9	Confident	93.9	Very high	100 Å²	100	36.8 Å²	36.8	39%	0.392	19%	0.192	S	C	.	.			trans	-71.9	125.9	172.2	176	-97.8	0	0	0	111.1	F257 N289	F257-Y287 HydrophobicContact CE1-CD2 4.45Å; Y287-N289 HydrophobicContact CE1-CB 4.33Å; Y287-N289 PolarHBondContact OH-ND2 3.49Å
288	C	89.5	Confident	93.9	Very high	17 Å²	17	39.3 Å²	39.3	12%	0.115	20%	0.201	C	C	.	.			trans	-139.5	140.4	172.4	178.9	0	0	0	0	110.1	I210 L281 V286 I333	I210-C288 HydrophobicContact CD1-CB 4.46Å; L281-C288 HydrophobicContact CD1-CB 3.23Å; V286-C288 PolarHBondContact O-N 2.86Å; C288-I333 HydrophobicContact CB-CD1 4.43Å
289	N	89.6	Confident	93.9	Very high	30 Å²	30	36.8 Å²	36.8	16%	0.16	19%	0.186	C	C	.	.			trans	-137	95	176	-170.9	-12.9	0	0	0	110.4	Y287 R291 L292	Y287-N289 HydrophobicContact CE1-CB 4.33Å; Y287-N289 PolarHBondContact OH-ND2 3.49Å; N289-R291 PolarHBondContact O-N 2.95Å; N289-R291 WeakPolarHBondContact OD1-CB 3.41Å; N289-R291 PolarHBondContact OD1-N 3.06Å; N289-L292 HydrophobicContact CB-CD1 4.33Å; N289-L292 PolarHBondContact O-N 3.16Å
290	P	89.4	Confident	93.9	Very high	37 Å²	37	37.6 Å²	37.6	24%	0.24	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-63.8	-16.2	-176.4	27	-37.2	0	0	0	113.3	T208 I210 M272 L292 G293	T208-P290 HydrophobicContact CG2-CG 3.35Å; I210-P290 HydrophobicContact CG1-CG 4.04Å; M272-P290 HydrophobicContact CE-CB 4.39Å; M272-P290 HydrophobicContact SD-CB 4.04Å; P290-L292 PolarHBondContact O-N 3.29Å; P290-L292 VanDerWaalsContact O-N 3.15Å; P290-G293 PolarHBondContact O-N 3.34Å; P290-G293 VanDerWaalsContact O-N 3.09Å
291	R	89.2	Confident	93.7	Very high	100 Å²	100	40.6 Å²	40.6	38%	0.377	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-70.8	-3.4	175.5	-56.3	179.1	-173.9	142.4	-8.8	113	F207 T208 N289	F207-R291 PolarHBondContact O-NH2 2.84Å; T208-R291 PolarHBondContact OG1-NE 3.44Å; T208-R291 PolarHBondContact OG1-NH2 2.89Å; T208-R291 VanDerWaalsContact OG1-NH2 3.11Å; N289-R291 PolarHBondContact O-N 2.95Å; N289-R291 WeakPolarHBondContact OD1-CB 3.41Å; N289-R291 PolarHBondContact OD1-N 3.06Å
292	L	92.4	Very high	93.7	Very high	23 Å²	23	42.6 Å²	42.6	12%	0.12	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-93.7	1.4	171	-67.9	174.1	0	0	0	112.7	N289 P290 T294 E295 H296 V545 M554	N289-L292 HydrophobicContact CB-CD1 4.33Å; N289-L292 PolarHBondContact O-N 3.16Å; P290-L292 PolarHBondContact O-N 3.29Å; P290-L292 VanDerWaalsContact O-N 3.15Å; L292-T294 VanDerWaalsContact C-N 3.28Å; L292-T294 PolarHBondContact O-N 3.26Å; L292-T294 VanDerWaalsContact O-N 3.16Å; L292-E295 WeakPolarHBondContact O-CA 3.42Å; L292-E295 VanDerWaalsContact O-CB 3.27Å; L292-E295 WeakPolarHBondContact O-CB 3.43Å; L292-E295 PolarHBondContact O-N 3.4Å; L292-H296 WeakPolarHBondContact CB-NE2 3.26Å; L292-H296 PolarHBondContact O-CD2 2.86Å; L292-H296 PolarHBondContact O-N 3.46Å; L292-V545 HydrophobicContact CD2-CG1 4.27Å; L292-M554 HydrophobicContact CD2-CE 4.24Å; L292-M554 HydrophobicContact CD2-SD 4.14Å
293	G	94	Very high	93.7	Very high	10 Å²	10	41.8 Å²	41.8	10%	0.103	22%	0.218	C	C	.	.	H	α-helix	trans	-55.6	-38.4	-174.9	0	0	0	0	0	114.6	E274 P290 E295 H296 T297	E274-G293 WeakPolarHBondContact OE2-CA 3.44Å; P290-G293 PolarHBondContact O-N 3.34Å; P290-G293 VanDerWaalsContact O-N 3.09Å; G293-E295 VanDerWaalsContact C-N 3.31Å; G293-E295 PolarHBondContact O-N 3.41Å; G293-H296 WeakPolarHBondContact O-CB 3.4Å; G293-H296 PolarHBondContact O-N 2.89Å; G293-T297 PolarHBondContact O-N 3.06Å; G293-T297 PolarHBondContact O-OG1 2.78Å
294	T	94.2	Very high	93.8	Very high	117 Å²	117	45.4 Å²	45.4	72%	0.718	23%	0.232	S	C	*	.	H	α-helix	trans	-65.1	-34.9	175.3	51.7	0	0	0	0	112.8	L292 R298	L292-T294 VanDerWaalsContact C-N 3.28Å; L292-T294 PolarHBondContact O-N 3.26Å; L292-T294 VanDerWaalsContact O-N 3.16Å; T294-R298 WeakPolarHBondContact O-CB 3.49Å; T294-R298 PolarHBondContact O-N 3.37Å
295	E	96.6	Very high	93.9	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.047	23%	0.231	C	C	.	.	H	α-helix	trans	-69.4	-42.4	175.4	-177.7	56	-143.9	0	0	111	L292 G293 T297 R298 V299 Y481 R543 V545	L292-E295 WeakPolarHBondContact O-CA 3.42Å; L292-E295 VanDerWaalsContact O-CB 3.27Å; L292-E295 WeakPolarHBondContact O-CB 3.43Å; L292-E295 PolarHBondContact O-N 3.4Å; G293-E295 VanDerWaalsContact C-N 3.31Å; G293-E295 PolarHBondContact O-N 3.41Å; E295-T297 PolarHBondContact O-N 3.23Å; E295-R298 PolarHBondContact O-N 3.2Å; E295-R298 IonicContact OE1-CZ 3.83Å; E295-R298 VanDerWaalsContact OE1-CZ 3.31Å; E295-R298 IonicContact OE1-NE 2.67Å; E295-R298 PolarHBondContact OE1-NE 3.28Å; E295-R298 IonicContact OE1-NH2 3.36Å; E295-R298 PolarHBondContact OE1-NH2 3.01Å; E295-R298 IonicContact OE2-NE 2.64Å; E295-V299 PolarHBondContact O-N 2.92Å; E295-V299 WeakPolarHBondContact OE1-CG2 3.35Å; E295-Y481 HydrophobicContact CG-CE1 3.78Å; E295-Y481 WeakPolarHBondContact CG-OH 3.39Å; E295-Y481 PolarHBondContact OE1-OH 3.03Å; E295-R543 IonicContact OE1-CZ 3.86Å; E295-R543 IonicContact OE1-NH2 2.93Å; E295-R543 PolarHBondContact OE1-NH2 3.04Å; E295-R543 IonicContact OE2-CZ 3.66Å; E295-R543 IonicContact OE2-NH1 3.56Å; E295-R543 PolarHBondContact OE2-NH1 3.41Å; E295-R543 IonicContact OE2-NH2 3.49Å; E295-R543 PolarHBondContact OE2-NH2 2.83Å; E295-V545 HydrophobicContact CB-CG1 4.2Å; E295-V545 HydrophobicContact CG-CG1 3.96Å
296	H	96.8	Very high	93.7	Very high	13 Å²	13	45.2 Å²	45.2	6%	0.06	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-47.8	174.5	-54.8	160.1	0	0	0	111	E274 L292 G293 R298 V299 V300 P335 F336	E274-H296 VanDerWaalsContact OE1-CB 3.3Å; E274-H296 WeakPolarHBondContact OE1-CB 3.47Å; E274-H296 IonicContact OE1-CE1 2.82Å; E274-H296 IonicContact OE1-CG 2.69Å; E274-H296 IonicContact OE1-ND1 3.69Å; E274-H296 PolarHBondContact OE1-ND1 3.28Å; E274-H296 IonicContact OE2-CE1 2.65Å; E274-H296 IonicContact OE2-ND1 3.68Å; E274-H296 PolarHBondContact OE2-ND1 3.46Å; L292-H296 WeakPolarHBondContact CB-NE2 3.26Å; L292-H296 PolarHBondContact O-CD2 2.86Å; L292-H296 PolarHBondContact O-N 3.46Å; G293-H296 WeakPolarHBondContact O-CB 3.4Å; G293-H296 PolarHBondContact O-N 2.89Å; H296-R298 VanDerWaalsContact C-N 3.29Å; H296-R298 PolarHBondContact O-N 3.49Å; H296-V299 PolarHBondContact O-N 2.97Å; H296-V300 WeakPolarHBondContact O-CB 3.28Å; H296-V300 WeakPolarHBondContact O-CG2 3.26Å; H296-V300 PolarHBondContact O-N 2.6Å; H296-P335 WeakPolarHBondContact ND1-CB 3.3Å; H296-F336 HydrophobicContact CB-CD1 4.4Å; H296-F336 HydrophobicContact CB-CE1 4.24Å; H296-F336 AromaticContact CD2-CE1 3.59Å; H296-F336 AromaticContact CD2-CE2 3.63Å; H296-F336 AromaticContact CD2-CZ 3.24Å; H296-F336 WeakPolarHBondContact CD2-CZ 3.48Å; H296-F336 AromaticContact NE2-CE2 3.94Å; H296-F336 AromaticContact NE2-CZ 3.93Å
297	T	95.9	Very high	93.1	Very high	44 Å²	44	47.5 Å²	47.5	27%	0.27	25%	0.25	S	S	.	.	H	α-helix	trans	-57	-44.3	176.2	-42.6	0	0	0	0	111.2	N275 G293 E295 V300 N301	N275-T297 VanDerWaalsContact CG-OG1 3.3Å; N275-T297 PolarHBondContact ND2-N 3.33Å; N275-T297 PolarHBondContact ND2-OG1 2.7Å; N275-T297 PolarHBondContact OD1-OG1 3.15Å; G293-T297 PolarHBondContact O-N 3.06Å; G293-T297 PolarHBondContact O-OG1 2.78Å; E295-T297 PolarHBondContact O-N 3.23Å; T297-V300 PolarHBondContact O-N 2.8Å; T297-N301 WeakPolarHBondContact O-CB 3.25Å; T297-N301 PolarHBondContact O-N 3.32Å; T297-N301 PolarHBondContact O-ND2 3.48Å
298	R	97.1	Very high	92.3	Very high	60 Å²	60	48.3 Å²	48.3	23%	0.226	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-53.7	-177.4	-172.5	-158.2	68.7	95.2	-2.5	111	T294 E295 H296 V300 N301 S302 R543 E558	T294-R298 WeakPolarHBondContact O-CB 3.49Å; T294-R298 PolarHBondContact O-N 3.37Å; E295-R298 PolarHBondContact O-N 3.2Å; E295-R298 IonicContact OE1-CZ 3.83Å; E295-R298 VanDerWaalsContact OE1-CZ 3.31Å; E295-R298 IonicContact OE1-NE 2.67Å; E295-R298 PolarHBondContact OE1-NE 3.28Å; E295-R298 IonicContact OE1-NH2 3.36Å; E295-R298 PolarHBondContact OE1-NH2 3.01Å; E295-R298 IonicContact OE2-NE 2.64Å; H296-R298 VanDerWaalsContact C-N 3.29Å; H296-R298 PolarHBondContact O-N 3.49Å; R298-V300 VanDerWaalsContact C-N 3.3Å; R298-V300 PolarHBondContact O-N 2.96Å; R298-N301 PolarHBondContact O-N 2.88Å; R298-N301 VanDerWaalsContact O-N 3.17Å; R298-S302 PolarHBondContact O-N 2.99Å; R298-S302 PolarHBondContact O-OG 2.98Å; R298-R543 VanDerWaalsContact NH2-NH2 3.12Å; R298-E558 IonicContact CZ-OE1 3.67Å; R298-E558 IonicContact CZ-OE2 3.12Å; R298-E558 IonicContact NH1-OE1 2.72Å; R298-E558 PolarHBondContact NH1-OE1 3.49Å; R298-E558 IonicContact NH1-OE2 3.65Å; R298-E558 PolarHBondContact NH1-OE2 3.19Å; R298-E558 IonicContact NH2-OE1 2.98Å; R298-E558 PolarHBondContact NH2-OE1 2.84Å; R298-E558 IonicContact NH2-OE2 3.47Å
299	V	97.7	Very high	91.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-46.6	179.7	173.6	0	0	0	0	110.4	E295 H296 N301 S302 L303 F336 I423 Y479 Y481	E295-V299 PolarHBondContact O-N 2.92Å; E295-V299 WeakPolarHBondContact OE1-CG2 3.35Å; H296-V299 PolarHBondContact O-N 2.97Å; V299-N301 VanDerWaalsContact C-N 3.3Å; V299-N301 PolarHBondContact O-N 3.23Å; V299-S302 CarbonylContact O-C 3.51Å; V299-S302 WeakPolarHBondContact O-CA 3.28Å; V299-S302 PolarHBondContact O-N 3.08Å; V299-L303 HydrophobicContact CG1-CD2 4.38Å; V299-L303 WeakPolarHBondContact O-CG 3.36Å; V299-L303 PolarHBondContact O-N 3.17Å; V299-L303 VanDerWaalsContact O-N 3.08Å; V299-F336 HydrophobicContact CB-CD1 3.93Å; V299-F336 HydrophobicContact CB-CE1 3.76Å; V299-F336 HydrophobicContact CG1-CD1 3.97Å; V299-F336 HydrophobicContact CG1-CE1 4.12Å; V299-F336 HydrophobicContact CG2-CD1 4.49Å; V299-F336 HydrophobicContact CG2-CE1 3.85Å; V299-I423 HydrophobicContact CG1-CD1 3.76Å; V299-I423 HydrophobicContact CG1-CG1 4.28Å; V299-Y479 HydrophobicContact CG1-CD1 4.42Å; V299-Y479 HydrophobicContact CG1-CD2 4.23Å; V299-Y479 HydrophobicContact CG1-CE1 4.48Å; V299-Y479 HydrophobicContact CG1-CE2 4.27Å; V299-Y479 HydrophobicContact CG1-CG 4.32Å; V299-Y479 HydrophobicContact CG2-CD1 4.03Å; V299-Y479 HydrophobicContact CG2-CE1 4.23Å; V299-Y481 VanDerWaalsContact CG2-OH 3.28Å; V299-Y481 WeakPolarHBondContact CG2-OH 3.21Å
300	V	97.1	Very high	90.2	Very high	18 Å²	18	56.9 Å²	56.9	11%	0.109	31%	0.312	C	S	.	.	H	α-helix	trans	-58.5	-41.3	179	172.1	0	0	0	0	111.8	H296 T297 R298 S302 L303 P339	H296-V300 WeakPolarHBondContact O-CB 3.28Å; H296-V300 WeakPolarHBondContact O-CG2 3.26Å; H296-V300 PolarHBondContact O-N 2.6Å; T297-V300 PolarHBondContact O-N 2.8Å; R298-V300 VanDerWaalsContact C-N 3.3Å; R298-V300 PolarHBondContact O-N 2.96Å; V300-S302 VanDerWaalsContact C-N 3.33Å; V300-L303 WeakPolarHBondContact O-CB 3.41Å; V300-L303 WeakPolarHBondContact O-CG 3.44Å; V300-L303 PolarHBondContact O-N 3.3Å; V300-P339 HydrophobicContact CB-CB 4.43Å; V300-P339 HydrophobicContact CG1-CB 3.84Å; V300-P339 HydrophobicContact CG2-CB 3.8Å
301	N	95.5	Very high	89.6	Confident	117 Å²	117	58.4 Å²	58.4	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-69.1	-31.1	175.7	-71.8	-16.5	0	0	0	112.7	T297 R298 V299 L303	T297-N301 WeakPolarHBondContact O-CB 3.25Å; T297-N301 PolarHBondContact O-N 3.32Å; T297-N301 PolarHBondContact O-ND2 3.48Å; R298-N301 PolarHBondContact O-N 2.88Å; R298-N301 VanDerWaalsContact O-N 3.17Å; V299-N301 VanDerWaalsContact C-N 3.3Å; V299-N301 PolarHBondContact O-N 3.23Å; N301-L303 VanDerWaalsContact C-N 3.32Å
302	S	96.5	Very high	88.8	Confident	42 Å²	42	59.2 Å²	59.2	29%	0.294	34%	0.337	S	S	.	.	H	α-helix	trans	-79.3	-9.5	177.2	-62.8	0	0	0	0	114.1	R298 V299 V300 R304 Y479	R298-S302 PolarHBondContact O-N 2.99Å; R298-S302 PolarHBondContact O-OG 2.98Å; V299-S302 CarbonylContact O-C 3.51Å; V299-S302 WeakPolarHBondContact O-CA 3.28Å; V299-S302 PolarHBondContact O-N 3.08Å; V300-S302 VanDerWaalsContact C-N 3.33Å; S302-R304 PolarHBondContact O-N 3.42Å; S302-Y479 VanDerWaalsContact CB-OH 3.3Å; S302-Y479 WeakPolarHBondContact CB-OH 3.4Å
303	L	97.6	Very high	88.1	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.8	178.6	-64.5	177.9	0	0	0	113	V299 V300 N301 P305 V326 A340 R419 V421	V299-L303 HydrophobicContact CG1-CD2 4.38Å; V299-L303 WeakPolarHBondContact O-CG 3.36Å; V299-L303 PolarHBondContact O-N 3.17Å; V299-L303 VanDerWaalsContact O-N 3.08Å; V300-L303 WeakPolarHBondContact O-CB 3.41Å; V300-L303 WeakPolarHBondContact O-CG 3.44Å; V300-L303 PolarHBondContact O-N 3.3Å; N301-L303 VanDerWaalsContact C-N 3.32Å; L303-P305 VanDerWaalsContact C-CD 3.44Å; L303-P305 VanDerWaalsContact O-CD 3.31Å; L303-P305 WeakPolarHBondContact O-CD 3.38Å; L303-V326 HydrophobicContact CD1-CG2 3.97Å; L303-V326 HydrophobicContact CD2-CG2 4Å; L303-A340 HydrophobicContact CD1-CB 3.46Å; L303-A340 VanDerWaalsContact CD1-CB 3.46Å; L303-R419 VanDerWaalsContact O-CD 3.29Å; L303-R419 WeakPolarHBondContact O-CD 3.26Å; L303-R419 PolarHBondContact O-NE 3.28Å; L303-V421 HydrophobicContact CD2-CB 4.13Å; L303-V421 HydrophobicContact CD2-CG1 3.74Å; L303-V421 HydrophobicContact CD2-CG2 4.06Å
304	R	95.2	Very high	87.2	Confident	82 Å²	82	70.7 Å²	70.7	31%	0.309	39%	0.387	S	S	.	.	S	Bend	trans	-122.1	68.7	-174.2	-60.3	-175.4	-53.2	138	-3.2	110.2	S302 P318 I319 V324	S302-R304 PolarHBondContact O-N 3.42Å; R304-P318 HydrophobicContact CB-CB 4.07Å; R304-P318 VanDerWaalsContact O-CB 3.23Å; R304-P318 WeakPolarHBondContact O-CB 3.42Å; R304-I319 WeakPolarHBondContact CB-O 3.38Å; R304-I319 VanDerWaalsContact CD-O 3.31Å; R304-I319 WeakPolarHBondContact CD-O 3.31Å; R304-I319 WeakPolarHBondContact CG-O 3.24Å; R304-V324 HydrophobicContact CG-CG2 4.05Å
305	P	93.7	Very high	86.2	Confident	42 Å²	42	70.6 Å²	70.6	27%	0.273	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-60.8	162.1	177.6	28.9	-35.7	0	0	0	110.7	L303 P318 I319	L303-P305 VanDerWaalsContact C-CD 3.44Å; L303-P305 VanDerWaalsContact O-CD 3.31Å; L303-P305 WeakPolarHBondContact O-CD 3.38Å; P305-P318 WeakPolarHBondContact O-CA 3.17Å; P305-I319 HydrophobicContact CG-CD1 3.93Å; P305-I319 WeakPolarHBondContact O-CG1 3.44Å; P305-I319 PolarHBondContact O-N 2.96Å
306	P	88.5	Confident	85.3	Confident	85 Å²	85	73.9 Å²	73.9	55%	0.552	41%	0.409	S	S	*	.	B	Isolated β-bridge	trans	-63.5	140.2	176.8	-17.3	30.1	0	0	0	112.2	P316 R317	P306-P316 HydrophobicContact CB-CB 3.46Å; P306-P316 VanDerWaalsContact CB-CB 3.46Å; P306-P316 HydrophobicContact CG-CB 4.28Å; P306-R317 WeakPolarHBondContact CA-O 3.22Å
307	L	79.8	Confident	84.8	Confident	50 Å²	50	80.2 Å²	80.2	26%	0.262	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-66.9	147	169.5	-74.9	164.9	0	0	0	110.3	N309 R317 I319	L307-N309 PolarHBondContact O-N 3.29Å; L307-N309 VanDerWaalsContact O-N 3.13Å; L307-R317 PolarHBondContact N-O 3.33Å; L307-I319 HydrophobicContact CD2-CG1 3.74Å; L307-I319 HydrophobicContact CG-CG1 3.94Å
308	P	72.5	Confident	84.5	Confident	117 Å²	117	81.1 Å²	81.1	76%	0.76	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-56	119.5	168.7	-18.5	29.7	0	0	0	109.4
309	N	67.7	Low	84.3	Confident	59 Å²	59	78.9 Å²	78.9	32%	0.316	43%	0.431	S	S	.	.			trans	-112.3	125.8	172.7	-95.4	0	0	0	0	108.1	L307 D311	L307-N309 PolarHBondContact O-N 3.29Å; L307-N309 VanDerWaalsContact O-N 3.13Å; N309-D311 VanDerWaalsContact C-N 3.28Å
310	N	67.8	Low	84	Confident	167 Å²	167	81.2 Å²	81.2	89%	0.893	45%	0.446	S	S	*	.	S	Bend	trans	-81.9	-10.1	173.5	-65.4	-15.2	0	0	0	112.5	P312	N310-P312 WeakPolarHBondContact O-CD 3.34Å
311	D	75.6	Confident	83.8	Confident	69 Å²	69	80.6 Å²	80.6	37%	0.369	44%	0.444	S	S	.	.			trans	-96.3	108.5	175.9	-172	-15.4	0	0	0	110.4	N309 F313 L314	N309-D311 VanDerWaalsContact C-N 3.28Å; D311-F313 PolarHBondContact O-N 2.96Å; D311-F313 WeakPolarHBondContact OD1-CB 3.39Å; D311-F313 PolarHBondContact OD1-N 3.37Å; D311-L314 HydrophobicContact CB-CB 4.33Å; D311-L314 HydrophobicContact CB-CD1 4.18Å; D311-L314 PolarHBondContact O-N 2.85Å; D311-L314 WeakPolarHBondContact OD2-CD1 3.34Å
312	P	72.2	Confident	83.7	Confident	117 Å²	117	79.5 Å²	79.5	76%	0.76	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.8	-179.5	29.3	-34.6	0	0	0	113.6	N310	N310-P312 WeakPolarHBondContact O-CD 3.34Å
313	F	78.6	Confident	83.5	Confident	191 Å²	191	80.3 Å²	80.3	84%	0.838	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.1	178.9	-61	-78.1	0	0	0	113.4	D311	D311-F313 PolarHBondContact O-N 2.96Å; D311-F313 WeakPolarHBondContact OD1-CB 3.39Å; D311-F313 PolarHBondContact OD1-N 3.37Å
314	L	73.9	Confident	83.5	Confident	83 Å²	83	80.3 Å²	80.3	44%	0.435	43%	0.434	S	S	.	.	S	Bend	trans	-100.4	130.6	179.3	-97	157.2	0	0	0	111.4	D311 P316	D311-L314 HydrophobicContact CB-CB 4.33Å; D311-L314 HydrophobicContact CB-CD1 4.18Å; D311-L314 PolarHBondContact O-N 2.85Å; D311-L314 WeakPolarHBondContact OD2-CD1 3.34Å; L314-P316 WeakPolarHBondContact O-CD 3.48Å
315	T	74.5	Confident	83.6	Confident	115 Å²	115	76.4 Å²	76.4	71%	0.706	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-58	124.8	173	53.3	0	0	0	0	110.2	R317	T315-R317 PolarHBondContact O-N 2.98Å
316	P	78.3	Confident	83.9	Confident	80 Å²	80	74.4 Å²	74.4	52%	0.519	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-56	125.9	178.2	-27.6	36.1	0	0	0	111.4	P306 L314	P306-P316 HydrophobicContact CB-CB 3.46Å; P306-P316 VanDerWaalsContact CB-CB 3.46Å; P306-P316 HydrophobicContact CG-CB 4.28Å; L314-P316 WeakPolarHBondContact O-CD 3.48Å
317	R	84.3	Confident	84.4	Confident	145 Å²	145	70.3 Å²	70.3	55%	0.547	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-88.9	135.8	178.6	-67.9	-166.8	-65.3	-90.3	0.1	109.8	P306 L307 T315	P306-R317 WeakPolarHBondContact CA-O 3.22Å; L307-R317 PolarHBondContact N-O 3.33Å; T315-R317 PolarHBondContact O-N 2.98Å
318	P	91.6	Very high	85.3	Confident	63 Å²	63	68 Å²	68	41%	0.409	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-64	151.4	174.1	29.1	-34.7	0	0	0	110.3	R304 P305 P320	R304-P318 HydrophobicContact CB-CB 4.07Å; R304-P318 VanDerWaalsContact O-CB 3.23Å; R304-P318 WeakPolarHBondContact O-CB 3.42Å; P305-P318 WeakPolarHBondContact O-CA 3.17Å; P318-P320 WeakPolarHBondContact O-CD 3.48Å
319	I	91.3	Very high	86.5	Confident	14 Å²	14	62.4 Å²	62.4	7%	0.072	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-51.5	127.7	169	-64.2	170.7	0	0	0	108.7	R304 P305 L307 G321 R323 V324 D418 R419	R304-I319 WeakPolarHBondContact CB-O 3.38Å; R304-I319 VanDerWaalsContact CD-O 3.31Å; R304-I319 WeakPolarHBondContact CD-O 3.31Å; R304-I319 WeakPolarHBondContact CG-O 3.24Å; P305-I319 HydrophobicContact CG-CD1 3.93Å; P305-I319 WeakPolarHBondContact O-CG1 3.44Å; P305-I319 PolarHBondContact O-N 2.96Å; L307-I319 HydrophobicContact CD2-CG1 3.74Å; L307-I319 HydrophobicContact CG-CG1 3.94Å; I319-G321 PolarHBondContact O-N 3.34Å; I319-R323 HydrophobicContact CG2-CB 3.99Å; I319-V324 HydrophobicContact CB-CG2 4.26Å; I319-V324 HydrophobicContact CG2-CG2 3.62Å; I319-D418 HydrophobicContact CD1-CB 4.43Å; I319-D418 HydrophobicContact CG2-CB 4.13Å; I319-R419 HydrophobicContact CD1-CB 4.45Å
320	P	92.3	Very high	88	Confident	48 Å²	48	60.3 Å²	60.3	31%	0.312	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-50.6	137	171.1	-28.9	35.5	0	0	0	111.7	P318 D322 R323	P318-P320 WeakPolarHBondContact O-CD 3.48Å; P320-D322 VanDerWaalsContact C-N 3.31Å; P320-D322 WeakPolarHBondContact CB-OD1 3.42Å; P320-D322 PolarHBondContact O-N 3.42Å; P320-R323 HydrophobicContact CB-CG 4.21Å; P320-R323 PolarHBondContact O-N 2.96Å
321	G	93.5	Very high	89.4	Confident	6 Å²	6	52.4 Å²	52.4	6%	0.062	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-60.6	-40.4	-172.8	0	0	0	0	0	112.9	I319 R323 V324 G344 C345	I319-G321 PolarHBondContact O-N 3.34Å; G321-R323 PolarHBondContact O-N 3.47Å; G321-V324 PolarHBondContact O-N 3.45Å; G321-G344 CarbonylContact C-O 3.49Å; G321-G344 CarbonylContact O-C 3.53Å; G321-C345 WeakPolarHBondContact O-CA 3.49Å
322	D	92.4	Very high	90.4	Very high	94 Å²	94	49.7 Å²	49.7	50%	0.503	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-60.4	-11.5	174.7	55.6	-12.8	0	0	0	114.2	P320 G344 H346 I417	P320-D322 VanDerWaalsContact C-N 3.31Å; P320-D322 WeakPolarHBondContact CB-OD1 3.42Å; P320-D322 PolarHBondContact O-N 3.42Å; D322-G344 PolarHBondContact N-O 2.98Å; D322-H346 PolarHBondContact O-CD2 3.17Å; D322-H346 VanDerWaalsContact O-CD2 3.23Å; D322-H346 PolarHBondContact O-NE2 3.1Å; D322-I417 WeakPolarHBondContact O-CD1 3.31Å
323	R	93.3	Very high	91.6	Very high	59 Å²	59	44.4 Å²	44.4	22%	0.223	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-100.5	9.4	172.9	-55.7	-165.4	-49.6	174.6	15.6	113.6	I319 P320 G321 S416 D418 R419	I319-R323 HydrophobicContact CG2-CB 3.99Å; P320-R323 HydrophobicContact CB-CG 4.21Å; P320-R323 PolarHBondContact O-N 2.96Å; G321-R323 PolarHBondContact O-N 3.47Å; R323-S416 VanDerWaalsContact CB-O 3.27Å; R323-S416 WeakPolarHBondContact CB-O 3.47Å; R323-S416 VanDerWaalsContact CD-O 3.31Å; R323-S416 WeakPolarHBondContact CD-O 3.44Å; R323-S416 WeakPolarHBondContact CD-OG 3.15Å; R323-S416 WeakPolarHBondContact CG-O 3.48Å; R323-D418 HydrophobicContact CB-CB 4.42Å; R323-D418 IonicContact CZ-OD2 3.33Å; R323-D418 IonicContact NE-OD2 3.37Å; R323-D418 PolarHBondContact NE-OD2 3.34Å; R323-D418 IonicContact NH1-OD2 2.7Å; R323-D418 IonicContact NH2-OD2 3.87Å; R323-D418 PolarHBondContact NH2-OD2 3.35Å; R323-D418 PolarHBondContact O-N 2.75Å; R323-R419 PolarHBondContact O-N 2.8Å
324	V	96.4	Very high	92.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.1	176.5	-175.5	0	0	0	0	110.2	R304 I319 G321 V326 C345 H346 R419 V421	R304-V324 HydrophobicContact CG-CG2 4.05Å; I319-V324 HydrophobicContact CB-CG2 4.26Å; I319-V324 HydrophobicContact CG2-CG2 3.62Å; G321-V324 PolarHBondContact O-N 3.45Å; V324-V326 HydrophobicContact CG1-CG2 4.13Å; V324-C345 HydrophobicContact CB-CB 4.42Å; V324-C345 WeakPolarHBondContact O-CA 3.48Å; V324-H346 PolarHBondContact O-N 2.9Å; V324-R419 WeakPolarHBondContact CA-O 3.37Å; V324-R419 HydrophobicContact CG1-CB 4.34Å; V324-R419 HydrophobicContact CG2-CB 4.2Å; V324-V421 HydrophobicContact CG1-CG2 4.21Å
325	V	98.3	Very high	93.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.6	169.9	179	0	0	0	0	109	Y327 H346 I417 R419 F420 V421	V325-Y327 HydrophobicContact CG1-CD1 4.29Å; V325-Y327 HydrophobicContact CG1-CD2 4.37Å; V325-Y327 HydrophobicContact CG1-CE1 3.68Å; V325-Y327 HydrophobicContact CG1-CE2 3.83Å; V325-Y327 VanDerWaalsContact CG1-CZ 3.44Å; V325-H346 CarbonylContact C-O 3.58Å; V325-H346 VanDerWaalsContact CA-O 3.29Å; V325-H346 WeakPolarHBondContact CA-O 3.43Å; V325-H346 HydrophobicContact CG2-CB 4.16Å; V325-I417 HydrophobicContact CG2-CD1 3.97Å; V325-I417 HydrophobicContact CG2-CG1 4.13Å; V325-I417 HydrophobicContact CG2-CG2 3.79Å; V325-R419 PolarHBondContact N-O 3.42Å; V325-F420 HydrophobicContact CB-CD1 3.75Å; V325-F420 HydrophobicContact CB-CE1 4.08Å; V325-F420 HydrophobicContact CG1-CD1 4.19Å; V325-F420 HydrophobicContact CG2-CD1 4.14Å; V325-F420 HydrophobicContact CG2-CE1 3.94Å; V325-V421 PolarHBondContact O-N 3.06Å
326	V	98.9	Very high	94.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.9	177.6	-176.2	0	0	0	0	109.3	L303 V324 A340 C345 H346 V347 L348 V421 I423	L303-V326 HydrophobicContact CD1-CG2 3.97Å; L303-V326 HydrophobicContact CD2-CG2 4Å; V324-V326 HydrophobicContact CG1-CG2 4.13Å; V326-A340 HydrophobicContact CG2-CB 4.33Å; V326-C345 HydrophobicContact CG2-CB 3.92Å; V326-H346 PolarHBondContact N-O 2.96Å; V326-V347 HydrophobicContact CB-CG2 4.31Å; V326-V347 CarbonylContact O-C 3.47Å; V326-V347 WeakPolarHBondContact O-CA 3.19Å; V326-L348 PolarHBondContact O-N 3.24Å; V326-V421 CarbonylContact C-O 3.59Å; V326-V421 WeakPolarHBondContact CA-O 3.47Å; V326-V421 HydrophobicContact CG2-CB 4.38Å; V326-I423 HydrophobicContact CG1-CD1 3.81Å; V326-I423 HydrophobicContact CG1-CG1 4.34Å
327	Y	98.9	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	110.5	171.9	-49.8	-78.3	0	0	0	108.5	V325 L348 L392 H395 Y396 F420 V421 V422 I423 L476	V325-Y327 HydrophobicContact CG1-CD1 4.29Å; V325-Y327 HydrophobicContact CG1-CD2 4.37Å; V325-Y327 HydrophobicContact CG1-CE1 3.68Å; V325-Y327 HydrophobicContact CG1-CE2 3.83Å; V325-Y327 VanDerWaalsContact CG1-CZ 3.44Å; Y327-L348 WeakPolarHBondContact CA-O 3.17Å; Y327-L348 HydrophobicContact CD1-CB 4.07Å; Y327-L348 HydrophobicContact CD1-CD1 3.91Å; Y327-L348 HydrophobicContact CD1-CG 4.19Å; Y327-L348 HydrophobicContact CE1-CD1 3.71Å; Y327-L348 HydrophobicContact CE1-CG 4.28Å; Y327-L392 HydrophobicContact CD1-CB 4.11Å; Y327-L392 HydrophobicContact CD1-CD1 4.21Å; Y327-L392 HydrophobicContact CD1-CG 3.67Å; Y327-L392 HydrophobicContact CD2-CD1 3.95Å; Y327-L392 HydrophobicContact CD2-CD2 4.29Å; Y327-L392 HydrophobicContact CD2-CG 3.73Å; Y327-L392 HydrophobicContact CE1-CB 4.39Å; Y327-L392 HydrophobicContact CE1-CG 3.99Å; Y327-L392 HydrophobicContact CE2-CD2 4.25Å; Y327-L392 HydrophobicContact CE2-CG 4Å; Y327-L392 HydrophobicContact CG-CB 4.39Å; Y327-L392 HydrophobicContact CG-CD1 3.66Å; Y327-L392 HydrophobicContact CG-CG 3.53Å; Y327-H395 HydrophobicContact CE1-CB 4.26Å; Y327-H395 AromaticContact CE1-ND1 3.71Å; Y327-H395 AromaticContact CZ-ND1 3.71Å; Y327-H395 PolarHBondContact OH-ND1 2.78Å; Y327-Y396 WeakPolarHBondContact OH-CA 3.12Å; Y327-Y396 PolarHBondContact OH-N 3.14Å; Y327-F420 HydrophobicContact CE2-CB 4.24Å; Y327-F420 AromaticContact CE2-CD1 3.92Å; Y327-F420 HydrophobicContact CE2-CD1 3.92Å; Y327-F420 WeakPolarHBondContact OH-CD1 3.29Å; Y327-V421 WeakPolarHBondContact CD2-O 3.29Å; Y327-V421 PolarHBondContact N-O 3.21Å; Y327-V422 HydrophobicContact CD2-CG2 4.04Å; Y327-V422 CarbonylContact O-C 3.5Å; Y327-V422 WeakPolarHBondContact O-CA 3.47Å; Y327-I423 PolarHBondContact O-N 2.96Å; Y327-L476 HydrophobicContact CE2-CD2 4.45Å
328	D	98.8	Very high	96.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	100.2	177.3	-169.2	-4.2	0	0	0	108.4	F330 A331 S337 L348 N350	D328-F330 VanDerWaalsContact C-N 3.29Å; D328-F330 PolarHBondContact O-N 2.95Å; D328-A331 HydrophobicContact CB-CB 4.15Å; D328-A331 WeakPolarHBondContact OD1-CA 3.4Å; D328-A331 WeakPolarHBondContact OD2-CA 3.23Å; D328-S337 WeakPolarHBondContact CB-OG 3.4Å; D328-S337 VanDerWaalsContact CG-OG 3.32Å; D328-S337 PolarHBondContact OD2-N 3.45Å; D328-S337 PolarHBondContact OD2-OG 3.35Å; D328-L348 PolarHBondContact N-O 2.83Å; D328-N350 PolarHBondContact O-N 3.13Å
329	V	98.7	Very high	96.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-26.6	-168.5	-175.2	0	0	0	0	112	N350 F387 I388 V422 I423 M424	V329-N350 CarbonylContact C-O 3.1Å; V329-N350 VanDerWaalsContact C-O 3.29Å; V329-N350 PolarHBondContact O-ND2 2.68Å; V329-N350 VanDerWaalsContact O-O 3.05Å; V329-F387 HydrophobicContact CB-CD1 4.48Å; V329-F387 HydrophobicContact CG1-CD1 4.32Å; V329-F387 HydrophobicContact CG2-CD1 4.29Å; V329-F387 HydrophobicContact CG2-CE1 4.3Å; V329-I388 HydrophobicContact CG1-CD1 4.21Å; V329-I388 HydrophobicContact CG1-CG1 4.36Å; V329-I388 HydrophobicContact CG2-CD1 4.48Å; V329-I388 HydrophobicContact CG2-CG1 4.31Å; V329-V422 HydrophobicContact CG2-CG1 3.79Å; V329-I423 PolarHBondContact N-O 3.41Å; V329-M424 HydrophobicContact CB-CG 4.26Å; V329-M424 HydrophobicContact CG2-CG 3.9Å
330	F	97.6	Very high	97	Very high	16 Å²	16	13 Å²	13	7%	0.07	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	60.2	-175.9	-47.7	-58.7	0	0	0	110.1	D328 G332 N350 M424 N425 L426 A430 F433	D328-F330 VanDerWaalsContact C-N 3.29Å; D328-F330 PolarHBondContact O-N 2.95Å; F330-G332 VanDerWaalsContact C-N 3.27Å; F330-G332 PolarHBondContact O-N 3.34Å; F330-N350 CarbonylContact C-O 3.55Å; F330-N350 WeakPolarHBondContact CA-O 3.39Å; F330-N350 PolarHBondContact N-O 2.87Å; F330-M424 HydrophobicContact CD2-CB 4.33Å; F330-M424 HydrophobicContact CE2-CB 4.01Å; F330-N425 WeakPolarHBondContact CB-OD1 3.27Å; F330-N425 VanDerWaalsContact O-CG 3.31Å; F330-N425 PolarHBondContact O-ND2 3.4Å; F330-N425 PolarHBondContact O-OD1 3.43Å; F330-L426 HydrophobicContact CD1-CD2 4.39Å; F330-L426 HydrophobicContact CD2-CB 3.44Å; F330-L426 VanDerWaalsContact CD2-CB 3.44Å; F330-L426 HydrophobicContact CE1-CD2 4.24Å; F330-L426 HydrophobicContact CE2-CB 3.66Å; F330-L426 HydrophobicContact CE2-CD2 4.47Å; F330-L426 HydrophobicContact CG-CB 3.93Å; F330-L426 HydrophobicContact CZ-CB 4.3Å; F330-L426 HydrophobicContact CZ-CD2 4.3Å; F330-A430 HydrophobicContact CE2-CB 4.49Å; F330-F433 HydrophobicContact CE1-CD1 4.25Å; F330-F433 AromaticContact CE1-CE1 3.98Å; F330-F433 HydrophobicContact CE1-CE1 3.98Å; F330-F433 HydrophobicContact CE1-CE2 4.27Å; F330-F433 AromaticContact CE1-CZ 3.98Å; F330-F433 HydrophobicContact CE1-CZ 3.98Å; F330-F433 HydrophobicContact CZ-CB 4.39Å; F330-F433 AromaticContact CZ-CD1 3.88Å; F330-F433 HydrophobicContact CZ-CD1 3.88Å; F330-F433 AromaticContact CZ-CD2 3.77Å; F330-F433 HydrophobicContact CZ-CD2 3.77Å; F330-F433 HydrophobicContact CZ-CE1 4.01Å; F330-F433 AromaticContact CZ-CE2 3.9Å; F330-F433 HydrophobicContact CZ-CE2 3.9Å; F330-F433 AromaticContact CZ-CG 3.75Å; F330-F433 HydrophobicContact CZ-CG 3.75Å; F330-F433 HydrophobicContact CZ-CZ 4.01Å
331	A	97.9	Very high	97.3	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	6%	0.058	C	C	.	.			trans	-66.3	-22	-167	0	0	0	0	0	114.4	D328 I333 G334 P335 A349 N350 L360	D328-A331 HydrophobicContact CB-CB 4.15Å; D328-A331 WeakPolarHBondContact OD1-CA 3.4Å; D328-A331 WeakPolarHBondContact OD2-CA 3.23Å; A331-I333 PolarHBondContact O-N 3.38Å; A331-G334 WeakPolarHBondContact O-CA 3.43Å; A331-G334 PolarHBondContact O-N 3.05Å; A331-P335 VanDerWaalsContact O-CD 3.26Å; A331-P335 WeakPolarHBondContact O-CD 3.31Å; A331-A349 HydrophobicContact CB-CB 3.89Å; A331-N350 WeakPolarHBondContact CB-O 3.44Å; A331-N350 PolarHBondContact N-O 2.95Å; A331-L360 HydrophobicContact CB-CD2 4.08Å
332	G	96.4	Very high	97.5	Very high	12 Å²	12	15 Å²	15	12%	0.124	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-122.8	-173.3	0	0	0	0	0	111.1	F330 G334 D351	F330-G332 VanDerWaalsContact C-N 3.27Å; F330-G332 PolarHBondContact O-N 3.34Å; G332-G334 VanDerWaalsContact C-N 3.31Å; G332-D351 VanDerWaalsContact CA-OD2 3.25Å; G332-D351 WeakPolarHBondContact CA-OD2 3.49Å; G332-D351 PolarHBondContact N-OD2 3.17Å
333	I	97.5	Very high	97.6	Very high	6 Å²	6	11.8 Å²	11.8	3%	0.031	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	2.7	176.7	70.1	-174.3	0	0	0	114.5	F279 L281 V286 C288 A331 W359 N363	F279-I333 HydrophobicContact CB-CD1 3.79Å; F279-I333 HydrophobicContact CB-CG1 4.36Å; F279-I333 HydrophobicContact CD1-CD1 4.46Å; F279-I333 HydrophobicContact CD1-CG1 4.15Å; F279-I333 HydrophobicContact CG-CD1 4.32Å; F279-I333 HydrophobicContact CG-CG1 4.49Å; L281-I333 HydrophobicContact CB-CD1 4.36Å; L281-I333 HydrophobicContact CB-CG2 4Å; L281-I333 HydrophobicContact CD1-CD1 4.04Å; V286-I333 HydrophobicContact CB-CG2 4.4Å; V286-I333 HydrophobicContact CG1-CG2 3.47Å; V286-I333 VanDerWaalsContact CG1-CG2 3.47Å; C288-I333 HydrophobicContact CB-CD1 4.43Å; A331-I333 PolarHBondContact O-N 3.38Å; I333-W359 HydrophobicContact CG2-CB 4.04Å; I333-N363 PolarHBondContact O-ND2 3.38Å
334	G	98	Very high	97.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.061	C	C	.	.			trans	92.5	33.7	175.2	0	0	0	0	0	117.9	F279 A331 G332 F336 S337 I338 L360	F279-G334 WeakPolarHBondContact CE1-O 3.45Å; A331-G334 WeakPolarHBondContact O-CA 3.43Å; A331-G334 PolarHBondContact O-N 3.05Å; G332-G334 VanDerWaalsContact C-N 3.31Å; G334-F336 VanDerWaalsContact C-N 3.3Å; G334-F336 PolarHBondContact O-N 3.08Å; G334-S337 PolarHBondContact O-N 3.01Å; G334-I338 WeakPolarHBondContact O-CB 3.22Å; G334-I338 PolarHBondContact O-N 3.21Å; G334-L360 VanDerWaalsContact CA-CD1 3.44Å
335	P	97.4	Very high	97.7	Very high	16 Å²	16	10.2 Å²	10.2	10%	0.104	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-26.2	-176.6	30.1	-35	0	0	0	114	H296 A331 P339	H296-P335 WeakPolarHBondContact ND1-CB 3.3Å; A331-P335 VanDerWaalsContact O-CD 3.26Å; A331-P335 WeakPolarHBondContact O-CD 3.31Å; P335-P339 VanDerWaalsContact O-CD 3.26Å; P335-P339 WeakPolarHBondContact O-CD 3.37Å; P335-P339 VanDerWaalsContact O-CG 3.25Å; P335-P339 WeakPolarHBondContact O-CG 3.29Å
336	F	98.2	Very high	97.7	Very high	4 Å²	4	12 Å²	12	2%	0.018	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-49.5	168.8	-60.1	-80.3	0	0	0	111.1	H296 V299 G334 I338 P339 A340 I423 N425 Y481	H296-F336 HydrophobicContact CB-CD1 4.4Å; H296-F336 HydrophobicContact CB-CE1 4.24Å; H296-F336 AromaticContact CD2-CE1 3.59Å; H296-F336 AromaticContact CD2-CE2 3.63Å; H296-F336 AromaticContact CD2-CZ 3.24Å; H296-F336 WeakPolarHBondContact CD2-CZ 3.48Å; H296-F336 AromaticContact NE2-CE2 3.94Å; H296-F336 AromaticContact NE2-CZ 3.93Å; V299-F336 HydrophobicContact CB-CD1 3.93Å; V299-F336 HydrophobicContact CB-CE1 3.76Å; V299-F336 HydrophobicContact CG1-CD1 3.97Å; V299-F336 HydrophobicContact CG1-CE1 4.12Å; V299-F336 HydrophobicContact CG2-CD1 4.49Å; V299-F336 HydrophobicContact CG2-CE1 3.85Å; G334-F336 VanDerWaalsContact C-N 3.3Å; G334-F336 PolarHBondContact O-N 3.08Å; F336-I338 PolarHBondContact O-N 2.96Å; F336-P339 WeakPolarHBondContact O-CD 3.35Å; F336-A340 WeakPolarHBondContact O-CB 3.47Å; F336-A340 PolarHBondContact O-N 2.99Å; F336-I423 HydrophobicContact CB-CD1 3.84Å; F336-I423 HydrophobicContact CD1-CD1 4.21Å; F336-I423 HydrophobicContact CD2-CG2 4.1Å; F336-I423 HydrophobicContact CE2-CG2 4.23Å; F336-I423 HydrophobicContact CG-CD1 4.11Å; F336-I423 HydrophobicContact CG-CG2 4.27Å; F336-I423 HydrophobicContact CZ-CG2 4.46Å; F336-N425 HydrophobicContact CE2-CB 3.85Å; F336-N425 WeakPolarHBondContact CE2-ND2 3.48Å; F336-N425 HydrophobicContact CZ-CB 4.5Å; F336-Y481 HydrophobicContact CZ-CE2 4.29Å
337	S	98.6	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-55.8	-47.8	-174.4	-71.7	0	0	0	0	114.6	D328 G334 A340 S341 A349	D328-S337 WeakPolarHBondContact CB-OG 3.4Å; D328-S337 VanDerWaalsContact CG-OG 3.32Å; D328-S337 PolarHBondContact OD2-N 3.45Å; D328-S337 PolarHBondContact OD2-OG 3.35Å; G334-S337 PolarHBondContact O-N 3.01Å; S337-A340 PolarHBondContact O-N 3Å; S337-S341 WeakPolarHBondContact O-CB 3.25Å; S337-S341 PolarHBondContact O-N 3.16Å; S337-A349 WeakPolarHBondContact OG-CB 3.39Å
338	I	98.6	Very high	97.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-71.5	-47.4	-175.6	-68.3	171.6	0	0	0	111.6	M277 F279 G334 F336 A340 S341 R342 N363 V364 N367 L374	M277-I338 HydrophobicContact CE-CG2 4.28Å; M277-I338 HydrophobicContact CG-CG2 4.2Å; M277-I338 HydrophobicContact SD-CG2 4.19Å; F279-I338 HydrophobicContact CD1-CD1 4.33Å; F279-I338 HydrophobicContact CE1-CB 4.22Å; F279-I338 HydrophobicContact CE1-CD1 3.91Å; G334-I338 WeakPolarHBondContact O-CB 3.22Å; G334-I338 PolarHBondContact O-N 3.21Å; F336-I338 PolarHBondContact O-N 2.96Å; I338-A340 VanDerWaalsContact C-N 3.33Å; I338-A340 PolarHBondContact O-N 3.26Å; I338-S341 PolarHBondContact O-N 2.94Å; I338-R342 PolarHBondContact O-N 2.72Å; I338-N363 HydrophobicContact CD1-CB 3.42Å; I338-N363 VanDerWaalsContact CD1-CB 3.42Å; I338-V364 HydrophobicContact CD1-CG2 4.11Å; I338-V364 HydrophobicContact CG1-CG2 3.91Å; I338-N367 HydrophobicContact CG2-CB 3.88Å; I338-L374 HydrophobicContact CG2-CD1 3.9Å
339	P	98.1	Very high	97.7	Very high	10 Å²	10	12.5 Å²	12.5	7%	0.065	7%	0.072	C	C	.	.	H	α-helix	trans	-60.8	-37.2	171.6	-27.8	37.9	0	0	0	114	M277 F279 V300 P335 F336 R342 A343	M277-P339 HydrophobicContact CG-CG 4.07Å; F279-P339 HydrophobicContact CZ-CG 4.44Å; V300-P339 HydrophobicContact CB-CB 4.43Å; V300-P339 HydrophobicContact CG1-CB 3.84Å; V300-P339 HydrophobicContact CG2-CB 3.8Å; P335-P339 VanDerWaalsContact O-CD 3.26Å; P335-P339 WeakPolarHBondContact O-CD 3.37Å; P335-P339 VanDerWaalsContact O-CG 3.25Å; P335-P339 WeakPolarHBondContact O-CG 3.29Å; F336-P339 WeakPolarHBondContact O-CD 3.35Å; P339-R342 PolarHBondContact O-N 3.19Å; P339-A343 PolarHBondContact O-N 3.26Å
340	A	98.2	Very high	97.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.1	-47	174.6	0	0	0	0	0	111.7	L303 V326 F336 S337 I338 R342 A343 G344 C345 V347	L303-A340 HydrophobicContact CD1-CB 3.46Å; L303-A340 VanDerWaalsContact CD1-CB 3.46Å; V326-A340 HydrophobicContact CG2-CB 4.33Å; F336-A340 WeakPolarHBondContact O-CB 3.47Å; F336-A340 PolarHBondContact O-N 2.99Å; S337-A340 PolarHBondContact O-N 3Å; I338-A340 VanDerWaalsContact C-N 3.33Å; I338-A340 PolarHBondContact O-N 3.26Å; A340-R342 VanDerWaalsContact C-N 3.33Å; A340-R342 PolarHBondContact O-N 2.94Å; A340-A343 WeakPolarHBondContact O-CA 3.43Å; A340-A343 WeakPolarHBondContact O-CB 3.12Å; A340-A343 PolarHBondContact O-N 2.85Å; A340-G344 PolarHBondContact O-N 3.43Å; A340-C345 HydrophobicContact CB-CB 4.41Å; A340-C345 WeakPolarHBondContact O-CB 3.34Å; A340-C345 PolarHBondContact O-N 2.86Å; A340-C345 VanDerWaalsContact O-N 3.14Å; A340-V347 HydrophobicContact CB-CG2 3.82Å
341	S	98.2	Very high	97.7	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.021	7%	0.074	C	C	.	.	H	α-helix	trans	-60.5	-41.2	175	167	0	0	0	0	111.6	S337 I338 A343 G344 N376	S337-S341 WeakPolarHBondContact O-CB 3.25Å; S337-S341 PolarHBondContact O-N 3.16Å; I338-S341 PolarHBondContact O-N 2.94Å; S341-A343 VanDerWaalsContact C-N 3.26Å; S341-A343 PolarHBondContact O-N 2.99Å; S341-G344 PolarHBondContact O-N 3.03Å; S341-N376 PolarHBondContact O-ND2 3Å; S341-N376 PolarHBondContact O-OD1 2.7Å; S341-N376 PolarHBondContact OG-OD1 3.02Å
342	R	97	Very high	97.7	Very high	95 Å²	95	15.7 Å²	15.7	36%	0.358	9%	0.089	S	C	.	.	H	α-helix	trans	-63.7	-31	174.1	-176.9	64.8	71.1	88	5.2	113.2	M277 I338 P339 A340 G344 N367 L374	M277-R342 HydrophobicContact CE-CB 3.25Å; M277-R342 HydrophobicContact CE-CG 3.46Å; M277-R342 VanDerWaalsContact CE-CG 3.46Å; I338-R342 PolarHBondContact O-N 2.72Å; P339-R342 PolarHBondContact O-N 3.19Å; A340-R342 VanDerWaalsContact C-N 3.33Å; A340-R342 PolarHBondContact O-N 2.94Å; R342-G344 PolarHBondContact O-N 2.73Å; R342-N367 PolarHBondContact NH2-O 3.48Å; R342-L374 HydrophobicContact CB-CD2 4.1Å
343	A	95.3	Very high	97.7	Very high	25 Å²	25	15.3 Å²	15.3	21%	0.207	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-0.3	174.2	0	0	0	0	0	113.4	P339 A340 S341	P339-A343 PolarHBondContact O-N 3.26Å; A340-A343 WeakPolarHBondContact O-CA 3.43Å; A340-A343 WeakPolarHBondContact O-CB 3.12Å; A340-A343 PolarHBondContact O-N 2.85Å; S341-A343 VanDerWaalsContact C-N 3.26Å; S341-A343 PolarHBondContact O-N 2.99Å
344	G	94.5	Very high	97.7	Very high	27 Å²	27	17.4 Å²	17.4	28%	0.278	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	-7.2	178.7	0	0	0	0	0	114.1	G321 D322 A340 S341 R342 N376	G321-G344 CarbonylContact C-O 3.49Å; G321-G344 CarbonylContact O-C 3.53Å; D322-G344 PolarHBondContact N-O 2.98Å; A340-G344 PolarHBondContact O-N 3.43Å; S341-G344 PolarHBondContact O-N 3.03Å; R342-G344 PolarHBondContact O-N 2.73Å; G344-N376 WeakPolarHBondContact CA-ND2 3.41Å; G344-N376 PolarHBondContact O-ND2 2.84Å; G344-N376 VanDerWaalsContact O-ND2 3.08Å
345	C	97.3	Very high	97.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.			trans	-63.7	144.5	-177.3	-53.1	0	0	0	0	112.9	G321 V324 V326 A340 V347 N376	G321-C345 WeakPolarHBondContact O-CA 3.49Å; V324-C345 HydrophobicContact CB-CB 4.42Å; V324-C345 WeakPolarHBondContact O-CA 3.48Å; V326-C345 HydrophobicContact CG2-CB 3.92Å; A340-C345 HydrophobicContact CB-CB 4.41Å; A340-C345 WeakPolarHBondContact O-CB 3.34Å; A340-C345 PolarHBondContact O-N 2.86Å; A340-C345 VanDerWaalsContact O-N 3.14Å; C345-V347 HydrophobicContact CB-CG2 4.25Å; C345-V347 PolarHBondContact O-N 3.42Å; C345-N376 PolarHBondContact O-ND2 3.36Å
346	H	97.9	Very high	97.6	Very high	37 Å²	37	19.1 Å²	19.1	17%	0.171	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	115.1	167	-68.5	-73.4	0	0	0	108.9	D322 V324 V325 V326	D322-H346 PolarHBondContact O-CD2 3.17Å; D322-H346 VanDerWaalsContact O-CD2 3.23Å; D322-H346 PolarHBondContact O-NE2 3.1Å; V324-H346 PolarHBondContact O-N 2.9Å; V325-H346 CarbonylContact C-O 3.58Å; V325-H346 VanDerWaalsContact CA-O 3.29Å; V325-H346 WeakPolarHBondContact CA-O 3.43Å; V325-H346 HydrophobicContact CG2-CB 4.16Å; V326-H346 PolarHBondContact N-O 2.96Å
347	V	98.8	Very high	97.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.3	-172.3	-175.6	0	0	0	0	110.8	V326 A340 C345 A349 N376 I377 I378	V326-V347 HydrophobicContact CB-CG2 4.31Å; V326-V347 CarbonylContact O-C 3.47Å; V326-V347 WeakPolarHBondContact O-CA 3.19Å; A340-V347 HydrophobicContact CB-CG2 3.82Å; C345-V347 HydrophobicContact CB-CG2 4.25Å; C345-V347 PolarHBondContact O-N 3.42Å; V347-A349 HydrophobicContact CG1-CB 4.18Å; V347-N376 PolarHBondContact N-O 2.79Å; V347-I377 HydrophobicContact CB-CB 4.09Å; V347-I377 HydrophobicContact CB-CD1 4.13Å; V347-I377 HydrophobicContact CB-CG1 3.91Å; V347-I377 HydrophobicContact CG1-CD1 3.88Å; V347-I377 HydrophobicContact CG1-CG1 4.02Å; V347-I377 CarbonylContact O-C 3.53Å; V347-I377 VanDerWaalsContact O-CA 3.29Å; V347-I377 WeakPolarHBondContact O-CA 3.39Å; V347-I378 PolarHBondContact O-N 2.97Å
348	L	98.9	Very high	97.6	Very high	10 Å²	10	24.2 Å²	24.2	5%	0.052	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	110	164	-51.8	-172.2	0	0	0	107.7	V326 Y327 D328 I378 Y380 F387 I391 H395	V326-L348 PolarHBondContact O-N 3.24Å; Y327-L348 WeakPolarHBondContact CA-O 3.17Å; Y327-L348 HydrophobicContact CD1-CB 4.07Å; Y327-L348 HydrophobicContact CD1-CD1 3.91Å; Y327-L348 HydrophobicContact CD1-CG 4.19Å; Y327-L348 HydrophobicContact CE1-CD1 3.71Å; Y327-L348 HydrophobicContact CE1-CG 4.28Å; D328-L348 PolarHBondContact N-O 2.83Å; L348-I378 HydrophobicContact CD2-CB 3.96Å; L348-I378 HydrophobicContact CD2-CD1 4.02Å; L348-I378 HydrophobicContact CD2-CG1 4.22Å; L348-Y380 HydrophobicContact CB-CE2 4.11Å; L348-Y380 HydrophobicContact CD2-CE2 4.19Å; L348-F387 HydrophobicContact CB-CE2 4.25Å; L348-F387 HydrophobicContact CB-CZ 3.9Å; L348-I391 HydrophobicContact CD1-CG2 3.77Å; L348-H395 HydrophobicContact CD1-CB 4.26Å
349	A	98.9	Very high	97.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.5	-172.3	0	0	0	0	0	110.3	A331 S337 V347 L360 I377 I378 C379 Y380	A331-A349 HydrophobicContact CB-CB 3.89Å; S337-A349 WeakPolarHBondContact OG-CB 3.39Å; V347-A349 HydrophobicContact CG1-CB 4.18Å; A349-L360 HydrophobicContact CB-CD2 3.89Å; A349-I377 HydrophobicContact CB-CD1 4.26Å; A349-I377 HydrophobicContact CB-CG1 4.49Å; A349-I378 PolarHBondContact N-O 3.26Å; A349-C379 CarbonylContact O-C 3.57Å; A349-C379 VanDerWaalsContact O-CA 3.27Å; A349-C379 WeakPolarHBondContact O-CA 3.3Å; A349-Y380 PolarHBondContact O-N 2.89Å
350	N	98.8	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.4	-177.7	178	66.5	0	0	0	111.5	D328 V329 F330 A331 Y380 M382 F387	D328-N350 PolarHBondContact O-N 3.13Å; V329-N350 CarbonylContact C-O 3.1Å; V329-N350 VanDerWaalsContact C-O 3.29Å; V329-N350 PolarHBondContact O-ND2 2.68Å; V329-N350 VanDerWaalsContact O-O 3.05Å; F330-N350 CarbonylContact C-O 3.55Å; F330-N350 WeakPolarHBondContact CA-O 3.39Å; F330-N350 PolarHBondContact N-O 2.87Å; A331-N350 WeakPolarHBondContact CB-O 3.44Å; A331-N350 PolarHBondContact N-O 2.95Å; N350-Y380 WeakPolarHBondContact CA-O 3.39Å; N350-Y380 PolarHBondContact OD1-O 2.88Å; N350-M382 PolarHBondContact ND2-O 2.9Å; N350-M382 WeakPolarHBondContact OD1-CB 3.48Å; N350-M382 PolarHBondContact OD1-N 3.46Å; N350-M382 PolarHBondContact OD1-O 3.36Å; N350-F387 HydrophobicContact CB-CB 4.1Å; N350-F387 HydrophobicContact CB-CD1 3.73Å; N350-F387 HydrophobicContact CB-CD2 3.5Å; N350-F387 HydrophobicContact CB-CE1 3.96Å; N350-F387 HydrophobicContact CB-CE2 3.75Å; N350-F387 HydrophobicContact CB-CG 3.48Å; N350-F387 VanDerWaalsContact CB-CG 3.48Å; N350-F387 HydrophobicContact CB-CZ 3.96Å
351	D	98	Very high	97.7	Very high	20 Å²	20	29.8 Å²	29.8	11%	0.107	16%	0.155	C	C	.	.			trans	-144.4	144	163.9	-160.4	-88.4	0	0	0	110.5	G332 N353 S356 Y380 N381	G332-D351 VanDerWaalsContact CA-OD2 3.25Å; G332-D351 WeakPolarHBondContact CA-OD2 3.49Å; G332-D351 PolarHBondContact N-OD2 3.17Å; D351-N353 VanDerWaalsContact C-N 3.35Å; D351-N353 WeakPolarHBondContact OD1-CB 3.25Å; D351-N353 PolarHBondContact OD1-N 3.4Å; D351-S356 VanDerWaalsContact OD1-CB 3.25Å; D351-S356 WeakPolarHBondContact OD1-CB 3.42Å; D351-S356 PolarHBondContact OD1-OG 3.39Å; D351-Y380 PolarHBondContact N-O 3.48Å; D351-N381 VanDerWaalsContact O-CA 3.29Å; D351-N381 WeakPolarHBondContact O-CA 3.45Å; D351-N381 PolarHBondContact O-ND2 3.23Å
352	L	97.2	Very high	97.7	Very high	64 Å²	64	34.7 Å²	34.7	34%	0.335	18%	0.175	S	C	.	.	S	Bend	trans	-69.6	-34.1	178.2	176.2	65.1	0	0	0	111.8	A253 Y254 P354 N381 D383	A253-L352 HydrophobicContact CB-CD2 4.48Å; Y254-L352 HydrophobicContact CD1-CG 4.34Å; Y254-L352 HydrophobicContact CE1-CG 4.12Å; L352-P354 WeakPolarHBondContact O-CD 3.06Å; L352-N381 VanDerWaalsContact C-ND2 3.35Å; L352-N381 PolarHBondContact O-ND2 2.75Å; L352-D383 HydrophobicContact CD1-CB 4.44Å
353	N	95.9	Very high	97.8	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	16%	0.158	C	C	.	.			trans	-78.7	119.5	-175	177.7	-0.8	0	0	0	110.6	Y254 K285 D351 D355 S356 F357	Y254-N353 HydrophobicContact CD1-CB 3.79Å; Y254-N353 HydrophobicContact CG-CB 4.18Å; K285-N353 PolarHBondContact O-ND2 3.49Å; D351-N353 VanDerWaalsContact C-N 3.35Å; D351-N353 WeakPolarHBondContact OD1-CB 3.25Å; D351-N353 PolarHBondContact OD1-N 3.4Å; N353-D355 VanDerWaalsContact C-N 3.25Å; N353-D355 PolarHBondContact O-N 3.05Å; N353-D355 PolarHBondContact OD1-N 3.44Å; N353-S356 PolarHBondContact ND2-OG 2.75Å; N353-S356 WeakPolarHBondContact O-CB 3.46Å; N353-S356 PolarHBondContact O-N 3.06Å; N353-S356 VanDerWaalsContact O-N 3.12Å; N353-F357 PolarHBondContact O-N 3.49Å
354	P	97	Very high	97.9	Very high	50 Å²	50	29.9 Å²	29.9	33%	0.325	15%	0.154	S	C	.	.	H	α-helix	trans	-61.1	-32.2	-179.8	25.1	-34.8	0	0	0	113	L352 F357 I358	L352-P354 WeakPolarHBondContact O-CD 3.06Å; P354-F357 PolarHBondContact O-N 3.01Å; P354-I358 VanDerWaalsContact O-CG1 3.3Å; P354-I358 WeakPolarHBondContact O-CG1 3.27Å; P354-I358 PolarHBondContact O-N 3.28Å
355	D	96.9	Very high	98.1	Very high	47 Å²	47	31.7 Å²	31.7	25%	0.251	17%	0.166	S	C	.	.	H	α-helix	trans	-68.5	-41.9	175.5	-75.2	-74.1	0	0	0	111.4	K285 V286 N353 F357 I358 W359	K285-D355 HydrophobicContact CB-CB 3.79Å; K285-D355 HydrophobicContact CD-CB 4.38Å; K285-D355 VanDerWaalsContact CD-OD1 3.22Å; K285-D355 WeakPolarHBondContact CD-OD1 3.2Å; K285-D355 IonicContact NZ-OD1 3.9Å; V286-D355 HydrophobicContact CG2-CB 3.95Å; N353-D355 VanDerWaalsContact C-N 3.25Å; N353-D355 PolarHBondContact O-N 3.05Å; N353-D355 PolarHBondContact OD1-N 3.44Å; D355-F357 VanDerWaalsContact C-N 3.28Å; D355-F357 PolarHBondContact O-N 3.48Å; D355-I358 PolarHBondContact O-N 2.94Å; D355-W359 PolarHBondContact O-N 3.12Å
356	S	97	Very high	98.1	Very high	5 Å²	5	38 Å²	38	4%	0.035	20%	0.196	C	C	.	.	H	α-helix	trans	-56.3	-46.5	171.9	-66.6	0	0	0	0	110.4	V286 D351 N353 I358 W359 L360	V286-S356 WeakPolarHBondContact CG1-OG 3.31Å; D351-S356 VanDerWaalsContact OD1-CB 3.25Å; D351-S356 WeakPolarHBondContact OD1-CB 3.42Å; D351-S356 PolarHBondContact OD1-OG 3.39Å; N353-S356 PolarHBondContact ND2-OG 2.75Å; N353-S356 WeakPolarHBondContact O-CB 3.46Å; N353-S356 PolarHBondContact O-N 3.06Å; N353-S356 VanDerWaalsContact O-N 3.12Å; S356-I358 PolarHBondContact O-N 3.48Å; S356-W359 CarbonylContact O-C 3.56Å; S356-W359 PolarHBondContact O-N 3.41Å; S356-L360 WeakPolarHBondContact O-CB 3.31Å; S356-L360 PolarHBondContact O-N 3.3Å
357	F	98.4	Very high	98.2	Very high	37 Å²	37	36.9 Å²	36.9	16%	0.162	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-41.6	178.7	170.6	-115.9	0	0	0	113.3	N353 P354 D355 W359 L360 K361 C379 Y380 N381	N353-F357 PolarHBondContact O-N 3.49Å; P354-F357 PolarHBondContact O-N 3.01Å; D355-F357 VanDerWaalsContact C-N 3.28Å; D355-F357 PolarHBondContact O-N 3.48Å; F357-W359 VanDerWaalsContact C-N 3.33Å; F357-W359 PolarHBondContact O-N 3.21Å; F357-L360 PolarHBondContact O-N 2.77Å; F357-K361 HydrophobicContact CD2-CG 4.41Å; F357-K361 HydrophobicContact CE1-CD 4.12Å; F357-K361 VanDerWaalsContact CE1-CE 3.48Å; F357-K361 VanDerWaalsContact CE1-NZ 3.34Å; F357-K361 HydrophobicContact CE2-CD 3.84Å; F357-K361 HydrophobicContact CE2-CG 4Å; F357-K361 HydrophobicContact CZ-CD 3.59Å; F357-K361 HydrophobicContact CZ-CG 4.27Å; F357-K361 PolarHBondContact O-N 3.26Å; F357-C379 HydrophobicContact CD2-CB 4.04Å; F357-C379 HydrophobicContact CE2-CB 3.59Å; F357-C379 WeakPolarHBondContact CE2-O 3.48Å; F357-Y380 WeakPolarHBondContact CD2-O 3.21Å; F357-N381 HydrophobicContact CB-CB 3.88Å; F357-N381 HydrophobicContact CD1-CB 3.69Å; F357-N381 HydrophobicContact CD2-CB 3.99Å; F357-N381 HydrophobicContact CE1-CB 4.12Å; F357-N381 HydrophobicContact CE2-CB 4.41Å; F357-N381 HydrophobicContact CG-CB 3.6Å; F357-N381 HydrophobicContact CZ-CB 4.46Å
358	I	98.7	Very high	98.1	Very high	73 Å²	73	38.9 Å²	38.9	37%	0.374	21%	0.205	S	C	.	.	H	α-helix	trans	-59.6	-46.6	174.1	-70.7	164.7	0	0	0	110.1	P354 D355 S356 K361 K362	P354-I358 VanDerWaalsContact O-CG1 3.3Å; P354-I358 WeakPolarHBondContact O-CG1 3.27Å; P354-I358 PolarHBondContact O-N 3.28Å; D355-I358 PolarHBondContact O-N 2.94Å; S356-I358 PolarHBondContact O-N 3.48Å; I358-K361 PolarHBondContact O-N 3.08Å; I358-K362 HydrophobicContact CG2-CD 4.2Å; I358-K362 WeakPolarHBondContact O-CG 3.46Å; I358-K362 PolarHBondContact O-N 2.81Å
359	W	98.6	Very high	98	Very high	24 Å²	24	41 Å²	41	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-68	-37.8	178.5	-76	115.2	0	0	0	113	I269 H280 D282 I333 D355 S356 F357 K361 K362 N363	I269-W359 HydrophobicContact CG1-CZ2 4.36Å; I269-W359 HydrophobicContact CG2-CH2 3.69Å; I269-W359 HydrophobicContact CG2-CZ2 4.06Å; H280-W359 VanDerWaalsContact C-CE3 3.49Å; H280-W359 HydrophobicContact CB-CE3 3.78Å; H280-W359 HydrophobicContact CB-CH2 4.41Å; H280-W359 HydrophobicContact CB-CZ3 3.47Å; H280-W359 VanDerWaalsContact CB-CZ3 3.47Å; H280-W359 VanDerWaalsContact O-CE3 3.28Å; D282-W359 HydrophobicContact CB-CZ2 4.08Å; D282-W359 VanDerWaalsContact N-CE2 3.31Å; D282-W359 VanDerWaalsContact N-NE1 3.14Å; I333-W359 HydrophobicContact CG2-CB 4.04Å; D355-W359 PolarHBondContact O-N 3.12Å; S356-W359 CarbonylContact O-C 3.56Å; S356-W359 PolarHBondContact O-N 3.41Å; F357-W359 VanDerWaalsContact C-N 3.33Å; F357-W359 PolarHBondContact O-N 3.21Å; W359-K361 PolarHBondContact O-N 3.49Å; W359-K362 HydrophobicContact CE3-CB 4.3Å; W359-K362 HydrophobicContact CE3-CD 3.85Å; W359-K362 HydrophobicContact CZ3-CD 3.85Å; W359-K362 PolarHBondContact O-N 3.18Å; W359-N363 VanDerWaalsContact O-CB 3.28Å; W359-N363 WeakPolarHBondContact O-CB 3.29Å; W359-N363 PolarHBondContact O-N 2.9Å; W359-N363 PolarHBondContact O-ND2 3.43Å
360	L	98.7	Very high	97.8	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.8	-52.3	173.2	177.1	61.3	0	0	0	110.8	A331 G334 A349 S356 F357 K362 N363 V364 C379	A331-L360 HydrophobicContact CB-CD2 4.08Å; G334-L360 VanDerWaalsContact CA-CD1 3.44Å; A349-L360 HydrophobicContact CB-CD2 3.89Å; S356-L360 WeakPolarHBondContact O-CB 3.31Å; S356-L360 PolarHBondContact O-N 3.3Å; F357-L360 PolarHBondContact O-N 2.77Å; L360-K362 PolarHBondContact O-N 2.84Å; L360-N363 PolarHBondContact O-N 3.42Å; L360-V364 WeakPolarHBondContact O-CG2 3.28Å; L360-V364 PolarHBondContact O-N 2.84Å; L360-C379 HydrophobicContact CD2-CB 3.89Å; L360-C379 HydrophobicContact CG-CB 4.31Å
361	K	98.8	Very high	97.7	Very high	104 Å²	104	61 Å²	61	45%	0.452	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-43.3	177.6	-72	-169.4	-63	-175.5	0	112.4	F357 I358 W359 N363 V364 A365 C379	F357-K361 HydrophobicContact CD2-CG 4.41Å; F357-K361 HydrophobicContact CE1-CD 4.12Å; F357-K361 VanDerWaalsContact CE1-CE 3.48Å; F357-K361 VanDerWaalsContact CE1-NZ 3.34Å; F357-K361 HydrophobicContact CE2-CD 3.84Å; F357-K361 HydrophobicContact CE2-CG 4Å; F357-K361 HydrophobicContact CZ-CD 3.59Å; F357-K361 HydrophobicContact CZ-CG 4.27Å; F357-K361 PolarHBondContact O-N 3.26Å; I358-K361 PolarHBondContact O-N 3.08Å; W359-K361 PolarHBondContact O-N 3.49Å; K361-N363 VanDerWaalsContact C-N 3.33Å; K361-N363 PolarHBondContact O-N 3.46Å; K361-V364 PolarHBondContact O-N 2.69Å; K361-A365 PolarHBondContact O-N 2.79Å; K361-C379 HydrophobicContact CG-CB 3.98Å
362	K	98.7	Very high	97.5	Very high	105 Å²	105	64.1 Å²	64.1	46%	0.457	31%	0.314	S	S	.	.	H	α-helix	trans	-61.2	-43	175.8	-75.1	178.2	178.6	179.6	0	111.2	I358 W359 L360 A365 Q366	I358-K362 HydrophobicContact CG2-CD 4.2Å; I358-K362 WeakPolarHBondContact O-CG 3.46Å; I358-K362 PolarHBondContact O-N 2.81Å; W359-K362 HydrophobicContact CE3-CB 4.3Å; W359-K362 HydrophobicContact CE3-CD 3.85Å; W359-K362 HydrophobicContact CZ3-CD 3.85Å; W359-K362 PolarHBondContact O-N 3.18Å; L360-K362 PolarHBondContact O-N 2.84Å; K362-A365 PolarHBondContact O-N 3.23Å; K362-Q366 WeakPolarHBondContact O-CB 3.13Å; K362-Q366 VanDerWaalsContact O-CG 3.29Å; K362-Q366 WeakPolarHBondContact O-CG 3.39Å; K362-Q366 PolarHBondContact O-N 3.19Å
363	N	98.8	Very high	97.4	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-69.7	-35.4	-180	-69.9	-25.2	0	0	0	112.3	F279 H280 I333 I338 W359 L360 K361 A365 Q366 N367	F279-N363 HydrophobicContact CD1-CB 4.42Å; H280-N363 PolarHBondContact N-OD1 2.65Å; H280-N363 PolarHBondContact O-ND2 3.46Å; H280-N363 PolarHBondContact O-OD1 3.49Å; I333-N363 PolarHBondContact O-ND2 3.38Å; I338-N363 HydrophobicContact CD1-CB 3.42Å; I338-N363 VanDerWaalsContact CD1-CB 3.42Å; W359-N363 VanDerWaalsContact O-CB 3.28Å; W359-N363 WeakPolarHBondContact O-CB 3.29Å; W359-N363 PolarHBondContact O-N 2.9Å; W359-N363 PolarHBondContact O-ND2 3.43Å; L360-N363 PolarHBondContact O-N 3.42Å; K361-N363 VanDerWaalsContact C-N 3.33Å; K361-N363 PolarHBondContact O-N 3.46Å; N363-A365 VanDerWaalsContact C-N 3.34Å; N363-Q366 PolarHBondContact O-N 3.03Å; N363-N367 WeakPolarHBondContact O-CB 3.14Å; N363-N367 PolarHBondContact O-N 2.98Å; N363-N367 PolarHBondContact O-ND2 2.82Å
364	V	98.7	Very high	97.5	Very high	20 Å²	20	64.4 Å²	64.4	12%	0.121	32%	0.32	C	S	.	.	H	α-helix	trans	-58.1	-49.1	169.1	169.7	0	0	0	0	109.9	I338 L360 K361 N367 S368 L374 I377	I338-V364 HydrophobicContact CD1-CG2 4.11Å; I338-V364 HydrophobicContact CG1-CG2 3.91Å; L360-V364 WeakPolarHBondContact O-CG2 3.28Å; L360-V364 PolarHBondContact O-N 2.84Å; K361-V364 PolarHBondContact O-N 2.69Å; V364-N367 PolarHBondContact O-N 3.34Å; V364-S368 VanDerWaalsContact O-CB 3.26Å; V364-S368 WeakPolarHBondContact O-CB 3.37Å; V364-S368 PolarHBondContact O-N 2.9Å; V364-L374 HydrophobicContact CG1-CB 4.23Å; V364-I377 HydrophobicContact CG1-CG2 3.64Å; V364-I377 HydrophobicContact CG2-CD1 3.91Å; V364-I377 HydrophobicContact CG2-CG1 4.43Å; V364-I377 HydrophobicContact CG2-CG2 3.98Å
365	A	98.4	Very high	97.4	Very high	64 Å²	64	70.7 Å²	70.7	53%	0.529	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-45	179.1	0	0	0	0	0	112.5	K361 K362 N363 N367 S368	K361-A365 PolarHBondContact O-N 2.79Å; K362-A365 PolarHBondContact O-N 3.23Å; N363-A365 VanDerWaalsContact C-N 3.34Å; A365-N367 PolarHBondContact O-N 2.9Å; A365-S368 WeakPolarHBondContact O-CB 3.49Å; A365-S368 PolarHBondContact O-N 2.69Å
366	Q	97.9	Very high	97.4	Very high	133 Å²	133	70.1 Å²	70.1	62%	0.621	34%	0.339	S	S	*	.	H	α-helix	trans	-66.7	-34.8	-179.4	-71.6	-62.1	-40	0	0	113.3	K362 N363 S368	K362-Q366 WeakPolarHBondContact O-CB 3.13Å; K362-Q366 VanDerWaalsContact O-CG 3.29Å; K362-Q366 WeakPolarHBondContact O-CG 3.39Å; K362-Q366 PolarHBondContact O-N 3.19Å; N363-Q366 PolarHBondContact O-N 3.03Å; Q366-S368 VanDerWaalsContact C-N 3.32Å
367	N	98.3	Very high	97.5	Very high	13 Å²	13	70.7 Å²	70.7	7%	0.07	34%	0.341	C	S	.	.	H	α-helix	trans	-87.3	-1.9	175.7	-68.6	-79.2	0	0	0	112.8	M277 T278 I338 R342 N363 V364 A365 L374	M277-N367 WeakPolarHBondContact CA-OD1 3.31Å; M277-N367 HydrophobicContact SD-CB 4.1Å; M277-N367 PolarHBondContact SD-OD1 3.32Å; T278-N367 PolarHBondContact N-OD1 3.45Å; T278-N367 PolarHBondContact O-ND2 2.65Å; I338-N367 HydrophobicContact CG2-CB 3.88Å; R342-N367 PolarHBondContact NH2-O 3.48Å; N363-N367 WeakPolarHBondContact O-CB 3.14Å; N363-N367 PolarHBondContact O-N 2.98Å; N363-N367 PolarHBondContact O-ND2 2.82Å; V364-N367 PolarHBondContact O-N 3.34Å; A365-N367 PolarHBondContact O-N 2.9Å; N367-L374 HydrophobicContact CB-CD1 3.87Å
368	S	97.9	Very high	97.5	Very high	44 Å²	44	73.2 Å²	73.2	31%	0.308	36%	0.356	S	S	.	.			trans	-89.2	139.4	174.4	-169.5	0	0	0	0	110.3	V364 A365 Q366 P373 L374	V364-S368 VanDerWaalsContact O-CB 3.26Å; V364-S368 WeakPolarHBondContact O-CB 3.37Å; V364-S368 PolarHBondContact O-N 2.9Å; A365-S368 WeakPolarHBondContact O-CB 3.49Å; A365-S368 PolarHBondContact O-N 2.69Å; Q366-S368 VanDerWaalsContact C-N 3.32Å; S368-P373 WeakPolarHBondContact OG-CA 3.41Å; S368-L374 PolarHBondContact OG-N 2.84Å
369	S	96.4	Very high	97.5	Very high	53 Å²	53	71 Å²	71	37%	0.371	35%	0.346	S	S	.	.			trans	-141.6	164.8	177	66.7	0	0	0	0	111	K371 H372 P373	S369-K371 PolarHBondContact O-N 2.92Å; S369-H372 PolarHBondContact N-O 2.93Å; S369-H372 VanDerWaalsContact N-O 3.15Å; S369-H372 CarbonylContact O-C 3.48Å; S369-H372 PolarHBondContact O-N 2.86Å; S369-H372 PolarHBondContact OG-N 2.95Å; S369-H372 VanDerWaalsContact OG-N 3.09Å; S369-P373 VanDerWaalsContact O-CA 3.27Å; S369-P373 WeakPolarHBondContact O-CA 3.48Å
370	R	95.6	Very high	97.5	Very high	253 Å²	253	72.5 Å²	72.5	96%	0.955	35%	0.352	S	S	*	.	S	Bend	trans	-56.3	-36.8	175.4	-175.7	177.6	178.6	177.4	0.8	112.6
371	K	95.2	Very high	97.5	Very high	168 Å²	168	75.5 Å²	75.5	73%	0.73	37%	0.368	S	S	*	.	S	Bend	trans	-77.5	-33.5	-179.8	-169.4	-178.4	175.1	179.7	0	112.4	S369	S369-K371 PolarHBondContact O-N 2.92Å
372	H	93.7	Very high	97.4	Very high	85 Å²	85	72.2 Å²	72.2	39%	0.394	36%	0.355	S	S	.	.	S	Bend	trans	-137	76.2	-177.8	-58.5	-66.7	0	0	0	109.7	S369	S369-H372 PolarHBondContact N-O 2.93Å; S369-H372 VanDerWaalsContact N-O 3.15Å; S369-H372 CarbonylContact O-C 3.48Å; S369-H372 PolarHBondContact O-N 2.86Å; S369-H372 PolarHBondContact OG-N 2.95Å; S369-H372 VanDerWaalsContact OG-N 3.09Å
373	P	96.6	Very high	97.3	Very high	61 Å²	61	68.7 Å²	68.7	40%	0.396	34%	0.341	S	S	.	.			trans	-77.2	134.2	-177	31.5	-35.4	0	0	0	110.8	S368 S369 K375	S368-P373 WeakPolarHBondContact OG-CA 3.41Å; S369-P373 VanDerWaalsContact O-CA 3.27Å; S369-P373 WeakPolarHBondContact O-CA 3.48Å; P373-K375 HydrophobicContact CB-CD 4.48Å; P373-K375 HydrophobicContact CB-CG 4.2Å; P373-K375 PolarHBondContact O-N 3.04Å
374	L	97.2	Very high	97.2	Very high	13 Å²	13	68.8 Å²	68.8	7%	0.068	34%	0.342	C	S	.	.			trans	-91.3	78.7	174.5	-59.2	-177	0	0	0	109.9	I338 R342 V364 N367 S368 I377	I338-L374 HydrophobicContact CG2-CD1 3.9Å; R342-L374 HydrophobicContact CB-CD2 4.1Å; V364-L374 HydrophobicContact CG1-CB 4.23Å; N367-L374 HydrophobicContact CB-CD1 3.87Å; S368-L374 PolarHBondContact OG-N 2.84Å; L374-I377 HydrophobicContact CB-CG2 4.31Å
375	K	95.3	Very high	97.1	Very high	183 Å²	183	69.3 Å²	69.3	80%	0.796	34%	0.342	S	S	*	.			trans	-98.2	-13.7	180	-66.8	-179.8	179.3	-175.5	0	113.8	P373 I377	P373-K375 HydrophobicContact CB-CD 4.48Å; P373-K375 HydrophobicContact CB-CG 4.2Å; P373-K375 PolarHBondContact O-N 3.04Å; K375-I377 VanDerWaalsContact C-N 3.32Å; K375-I377 PolarHBondContact O-N 2.9Å
376	N	96.5	Very high	97	Very high	35 Å²	35	70.3 Å²	70.3	19%	0.187	34%	0.335	C	S	.	.	S	Bend	trans	-95	26.6	-175	56.9	-25.3	0	0	0	112.5	S341 G344 C345 V347	S341-N376 PolarHBondContact O-ND2 3Å; S341-N376 PolarHBondContact O-OD1 2.7Å; S341-N376 PolarHBondContact OG-OD1 3.02Å; G344-N376 WeakPolarHBondContact CA-ND2 3.41Å; G344-N376 PolarHBondContact O-ND2 2.84Å; G344-N376 VanDerWaalsContact O-ND2 3.08Å; C345-N376 PolarHBondContact O-ND2 3.36Å; V347-N376 PolarHBondContact N-O 2.79Å
377	I	98.6	Very high	97	Very high	17 Å²	17	64 Å²	64	9%	0.087	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132	176.4	-178.5	163	0	0	0	110.6	V347 A349 V364 L374 K375	V347-I377 HydrophobicContact CB-CB 4.09Å; V347-I377 HydrophobicContact CB-CD1 4.13Å; V347-I377 HydrophobicContact CB-CG1 3.91Å; V347-I377 HydrophobicContact CG1-CD1 3.88Å; V347-I377 HydrophobicContact CG1-CG1 4.02Å; V347-I377 CarbonylContact O-C 3.53Å; V347-I377 VanDerWaalsContact O-CA 3.29Å; V347-I377 WeakPolarHBondContact O-CA 3.39Å; A349-I377 HydrophobicContact CB-CD1 4.26Å; A349-I377 HydrophobicContact CB-CG1 4.49Å; V364-I377 HydrophobicContact CG1-CG2 3.64Å; V364-I377 HydrophobicContact CG2-CD1 3.91Å; V364-I377 HydrophobicContact CG2-CG1 4.43Å; V364-I377 HydrophobicContact CG2-CG2 3.98Å; L374-I377 HydrophobicContact CB-CG2 4.31Å; K375-I377 VanDerWaalsContact C-N 3.32Å; K375-I377 PolarHBondContact O-N 2.9Å
378	I	98.7	Very high	96.9	Very high	90 Å²	90	63.3 Å²	63.3	46%	0.462	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.1	173.6	-53.4	176.6	0	0	0	107.9	V347 L348 A349 Y380	V347-I378 PolarHBondContact O-N 2.97Å; L348-I378 HydrophobicContact CD2-CB 3.96Å; L348-I378 HydrophobicContact CD2-CD1 4.02Å; L348-I378 HydrophobicContact CD2-CG1 4.22Å; A349-I378 PolarHBondContact N-O 3.26Å; I378-Y380 HydrophobicContact CB-CE2 3.95Å; I378-Y380 HydrophobicContact CG2-CD2 4.32Å; I378-Y380 HydrophobicContact CG2-CE1 4.47Å; I378-Y380 HydrophobicContact CG2-CE2 3.53Å
379	C	98.8	Very high	96.8	Very high	26 Å²	26	63.5 Å²	63.5	18%	0.176	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.4	-177.4	-53.8	0	0	0	0	110.6	A349 F357 L360 K361	A349-C379 CarbonylContact O-C 3.57Å; A349-C379 VanDerWaalsContact O-CA 3.27Å; A349-C379 WeakPolarHBondContact O-CA 3.3Å; F357-C379 HydrophobicContact CD2-CB 4.04Å; F357-C379 HydrophobicContact CE2-CB 3.59Å; F357-C379 WeakPolarHBondContact CE2-O 3.48Å; L360-C379 HydrophobicContact CD2-CB 3.89Å; L360-C379 HydrophobicContact CG-CB 4.31Å; K361-C379 HydrophobicContact CG-CB 3.98Å
380	Y	98.8	Very high	96.7	Very high	55 Å²	55	65 Å²	65	22%	0.216	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	155.4	179	-62	-92.6	0	0	0	110.8	L348 A349 N350 D351 F357 I378 M382 F387 I391	L348-Y380 HydrophobicContact CB-CE2 4.11Å; L348-Y380 HydrophobicContact CD2-CE2 4.19Å; A349-Y380 PolarHBondContact O-N 2.89Å; N350-Y380 WeakPolarHBondContact CA-O 3.39Å; N350-Y380 PolarHBondContact OD1-O 2.88Å; D351-Y380 PolarHBondContact N-O 3.48Å; F357-Y380 WeakPolarHBondContact CD2-O 3.21Å; I378-Y380 HydrophobicContact CB-CE2 3.95Å; I378-Y380 HydrophobicContact CG2-CD2 4.32Å; I378-Y380 HydrophobicContact CG2-CE1 4.47Å; I378-Y380 HydrophobicContact CG2-CE2 3.53Å; Y380-M382 HydrophobicContact CD1-SD 4.09Å; Y380-F387 HydrophobicContact CD2-CD2 4.29Å; Y380-F387 AromaticContact CD2-CE2 3.67Å; Y380-F387 HydrophobicContact CD2-CE2 3.67Å; Y380-F387 HydrophobicContact CE2-CE2 4.18Å; Y380-F387 HydrophobicContact CG-CD2 4.2Å; Y380-F387 HydrophobicContact CG-CE2 4.04Å; Y380-I391 HydrophobicContact CD1-CD1 4.25Å; Y380-I391 HydrophobicContact CD1-CG1 4.17Å; Y380-I391 HydrophobicContact CE1-CD1 3.74Å; Y380-I391 HydrophobicContact CE1-CG1 4.01Å; Y380-I391 HydrophobicContact CE1-CG2 4.1Å; Y380-I391 HydrophobicContact CE2-CG2 4.01Å
381	N	98.4	Very high	96.7	Very high	63 Å²	63	54.8 Å²	54.8	34%	0.337	26%	0.261	S	S	.	.			trans	-130.9	81.1	173.7	-179.7	-144.2	0	0	0	109.5	D351 L352 F357	D351-N381 VanDerWaalsContact O-CA 3.29Å; D351-N381 WeakPolarHBondContact O-CA 3.45Å; D351-N381 PolarHBondContact O-ND2 3.23Å; L352-N381 VanDerWaalsContact C-ND2 3.35Å; L352-N381 PolarHBondContact O-ND2 2.75Å; F357-N381 HydrophobicContact CB-CB 3.88Å; F357-N381 HydrophobicContact CD1-CB 3.69Å; F357-N381 HydrophobicContact CD2-CB 3.99Å; F357-N381 HydrophobicContact CE1-CB 4.12Å; F357-N381 HydrophobicContact CE2-CB 4.41Å; F357-N381 HydrophobicContact CG-CB 3.6Å; F357-N381 HydrophobicContact CZ-CB 4.46Å
382	M	97.9	Very high	96.8	Very high	36 Å²	36	46.8 Å²	46.8	18%	0.177	23%	0.227	C	C	.	.	S	Bend	trans	-135.6	161.2	-173.2	-57.2	174.5	71.6	0	0	110.4	N350 Y380 E386 F387 E390 I391	N350-M382 PolarHBondContact ND2-O 2.9Å; N350-M382 WeakPolarHBondContact OD1-CB 3.48Å; N350-M382 PolarHBondContact OD1-N 3.46Å; N350-M382 PolarHBondContact OD1-O 3.36Å; Y380-M382 HydrophobicContact CD1-SD 4.09Å; M382-E386 HydrophobicContact CB-CB 4.49Å; M382-E386 HydrophobicContact CE-CB 4.02Å; M382-F387 HydrophobicContact CB-CB 4.29Å; M382-E390 HydrophobicContact CE-CB 4.23Å; M382-I391 HydrophobicContact CE-CG1 4.28Å; M382-I391 HydrophobicContact SD-CD1 4.36Å; M382-I391 HydrophobicContact SD-CG1 3.79Å
383	D	96.4	Very high	96.8	Very high	30 Å²	30	42.9 Å²	42.9	16%	0.16	21%	0.209	C	C	.	.			trans	-58.7	142.9	163.8	179.6	-88.6	0	0	0	109.8	L352 R385 E386 F387	L352-D383 HydrophobicContact CD1-CB 4.44Å; D383-R385 PolarHBondContact O-N 2.91Å; D383-R385 VanDerWaalsContact OD1-CB 3.3Å; D383-R385 WeakPolarHBondContact OD1-CB 3.32Å; D383-R385 PolarHBondContact OD1-N 3.04Å; D383-E386 HydrophobicContact CB-CB 4.28Å; D383-E386 HydrophobicContact CB-CG 4.01Å; D383-E386 PolarHBondContact O-N 3.34Å; D383-E386 VanDerWaalsContact O-N 3.1Å; D383-F387 PolarHBondContact O-N 3.31Å
384	G	96.5	Very high	96.6	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-33.2	-176.7	0	0	0	0	0	113.4	I388	G384-I388 WeakPolarHBondContact O-CD1 3.46Å; G384-I388 WeakPolarHBondContact O-CG1 3.27Å; G384-I388 PolarHBondContact O-N 3.23Å
385	R	95.2	Very high	96.4	Very high	31 Å²	31	44.1 Å²	44.1	12%	0.117	21%	0.214	C	C	.	.	H	α-helix	trans	-72.7	-40.6	176.4	-62.2	-176.2	167.5	62.6	2	111.5	D383 I388 R389 D432 F433 D435 A436	D383-R385 PolarHBondContact O-N 2.91Å; D383-R385 VanDerWaalsContact OD1-CB 3.3Å; D383-R385 WeakPolarHBondContact OD1-CB 3.32Å; D383-R385 PolarHBondContact OD1-N 3.04Å; R385-I388 PolarHBondContact O-N 2.93Å; R385-R389 WeakPolarHBondContact O-CB 3.35Å; R385-R389 WeakPolarHBondContact O-CG 3.43Å; R385-R389 PolarHBondContact O-N 2.71Å; R385-D432 PolarHBondContact NH2-O 3.11Å; R385-F433 HydrophobicContact CG-CD1 3.58Å; R385-F433 HydrophobicContact CG-CE1 3.82Å; R385-F433 HydrophobicContact CG-CG 4.49Å; R385-F433 VanDerWaalsContact NH1-CE1 3.31Å; R385-D435 IonicContact CZ-OD1 2.99Å; R385-D435 IonicContact CZ-OD2 3.31Å; R385-D435 IonicContact NE-OD1 2.95Å; R385-D435 PolarHBondContact NE-OD1 3.34Å; R385-D435 IonicContact NE-OD2 2.91Å; R385-D435 PolarHBondContact NE-OD2 2.73Å; R385-D435 IonicContact NH2-OD1 3.56Å; R385-D435 PolarHBondContact NH2-OD1 3.2Å; R385-D435 IonicContact NH2-OD2 3.03Å; R385-D435 PolarHBondContact NH2-OD2 3.09Å; R385-A436 HydrophobicContact CB-CB 4.1Å; R385-A436 HydrophobicContact CG-CB 4.11Å
386	E	96.3	Very high	96.3	Very high	85 Å²	85	35.4 Å²	35.4	40%	0.397	18%	0.176	S	C	.	.	H	α-helix	trans	-62.5	-45.6	175	-65.4	175.8	169.7	0	0	110.2	M382 D383 I388 R389 E390	M382-E386 HydrophobicContact CB-CB 4.49Å; M382-E386 HydrophobicContact CE-CB 4.02Å; D383-E386 HydrophobicContact CB-CB 4.28Å; D383-E386 HydrophobicContact CB-CG 4.01Å; D383-E386 PolarHBondContact O-N 3.34Å; D383-E386 VanDerWaalsContact O-N 3.1Å; E386-I388 VanDerWaalsContact C-N 3.35Å; E386-I388 PolarHBondContact O-N 2.88Å; E386-R389 PolarHBondContact O-N 3.38Å; E386-E390 VanDerWaalsContact O-CB 3.28Å; E386-E390 WeakPolarHBondContact O-CB 3.39Å; E386-E390 WeakPolarHBondContact O-CG 3.37Å; E386-E390 PolarHBondContact O-N 2.65Å
387	F	98.1	Very high	95.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	I	π-helix	trans	-58.3	-44.5	174.5	176.7	-107	0	0	0	112.5	V329 L348 N350 Y380 M382 D383 I391 L392	V329-F387 HydrophobicContact CB-CD1 4.48Å; V329-F387 HydrophobicContact CG1-CD1 4.32Å; V329-F387 HydrophobicContact CG2-CD1 4.29Å; V329-F387 HydrophobicContact CG2-CE1 4.3Å; L348-F387 HydrophobicContact CB-CE2 4.25Å; L348-F387 HydrophobicContact CB-CZ 3.9Å; N350-F387 HydrophobicContact CB-CB 4.1Å; N350-F387 HydrophobicContact CB-CD1 3.73Å; N350-F387 HydrophobicContact CB-CD2 3.5Å; N350-F387 HydrophobicContact CB-CE1 3.96Å; N350-F387 HydrophobicContact CB-CE2 3.75Å; N350-F387 HydrophobicContact CB-CG 3.48Å; N350-F387 VanDerWaalsContact CB-CG 3.48Å; N350-F387 HydrophobicContact CB-CZ 3.96Å; Y380-F387 HydrophobicContact CD2-CD2 4.29Å; Y380-F387 AromaticContact CD2-CE2 3.67Å; Y380-F387 HydrophobicContact CD2-CE2 3.67Å; Y380-F387 HydrophobicContact CE2-CE2 4.18Å; Y380-F387 HydrophobicContact CG-CD2 4.2Å; Y380-F387 HydrophobicContact CG-CE2 4.04Å; M382-F387 HydrophobicContact CB-CB 4.29Å; D383-F387 PolarHBondContact O-N 3.31Å; F387-I391 HydrophobicContact CD2-CB 3.84Å; F387-I391 HydrophobicContact CD2-CG1 4.02Å; F387-I391 HydrophobicContact CD2-CG2 4.15Å; F387-I391 HydrophobicContact CE2-CB 3.94Å; F387-I391 HydrophobicContact CE2-CG1 4.44Å; F387-I391 HydrophobicContact CE2-CG2 3.75Å; F387-I391 WeakPolarHBondContact O-CA 3.45Å; F387-I391 WeakPolarHBondContact O-CB 3.49Å; F387-I391 PolarHBondContact O-N 2.81Å; F387-I391 VanDerWaalsContact O-N 3.1Å; F387-L392 PolarHBondContact O-N 3.42Å
388	I	97.2	Very high	95.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-61.6	-47.3	177.6	-70.3	162.6	0	0	0	110.6	V329 G384 R385 E386 L392 L393 A436 F437	V329-I388 HydrophobicContact CG1-CD1 4.21Å; V329-I388 HydrophobicContact CG1-CG1 4.36Å; V329-I388 HydrophobicContact CG2-CD1 4.48Å; V329-I388 HydrophobicContact CG2-CG1 4.31Å; G384-I388 WeakPolarHBondContact O-CD1 3.46Å; G384-I388 WeakPolarHBondContact O-CG1 3.27Å; G384-I388 PolarHBondContact O-N 3.23Å; R385-I388 PolarHBondContact O-N 2.93Å; E386-I388 VanDerWaalsContact C-N 3.35Å; E386-I388 PolarHBondContact O-N 2.88Å; I388-L392 HydrophobicContact CG1-CD1 4.25Å; I388-L392 WeakPolarHBondContact O-CB 3.44Å; I388-L392 PolarHBondContact O-N 3Å; I388-L393 HydrophobicContact CG2-CD1 4.23Å; I388-L393 HydrophobicContact CG2-CG 4.18Å; I388-L393 WeakPolarHBondContact O-CB 3.39Å; I388-L393 WeakPolarHBondContact O-CG 3.4Å; I388-L393 PolarHBondContact O-N 2.85Å; I388-A436 HydrophobicContact CB-CB 3.82Å; I388-A436 HydrophobicContact CD1-CB 3.8Å; I388-A436 HydrophobicContact CG1-CB 4.42Å; I388-A436 HydrophobicContact CG2-CB 3.66Å; I388-F437 HydrophobicContact CD1-CE2 3.85Å; I388-F437 HydrophobicContact CD1-CZ 4.14Å; I388-F437 HydrophobicContact CG1-CE2 4.4Å; I388-F437 HydrophobicContact CG1-CZ 4.22Å; I388-F437 HydrophobicContact CG2-CD1 4.09Å; I388-F437 HydrophobicContact CG2-CD2 4.29Å; I388-F437 HydrophobicContact CG2-CE1 3.88Å; I388-F437 HydrophobicContact CG2-CE2 4.1Å; I388-F437 HydrophobicContact CG2-CG 4.29Å; I388-F437 HydrophobicContact CG2-CZ 3.88Å
389	R	94.5	Very high	94.9	Very high	47 Å²	47	36.6 Å²	36.6	18%	0.177	18%	0.175	C	C	.	.	I	π-helix	trans	-76.5	-40.2	-172.8	-75.3	176.1	-178.5	148.7	1.1	114.3	R385 E386 P394 A436 Y572	R385-R389 WeakPolarHBondContact O-CB 3.35Å; R385-R389 WeakPolarHBondContact O-CG 3.43Å; R385-R389 PolarHBondContact O-N 2.71Å; E386-R389 PolarHBondContact O-N 3.38Å; R389-P394 VanDerWaalsContact O-CD 3.24Å; R389-P394 WeakPolarHBondContact O-CD 3.42Å; R389-A436 HydrophobicContact CG-CB 4.47Å; R389-Y572 HydrophobicContact CB-CD1 4.3Å; R389-Y572 HydrophobicContact CB-CG 4.16Å; R389-Y572 HydrophobicContact CG-CD1 3.71Å; R389-Y572 HydrophobicContact CG-CE1 4.39Å; R389-Y572 HydrophobicContact CG-CG 4.08Å
390	E	94.3	Very high	94.3	Very high	86 Å²	86	35.5 Å²	35.5	40%	0.402	17%	0.167	S	C	.	.	I	π-helix	trans	-97.3	-23	-170.6	-59.8	-178.3	-166.6	0	0	112.7	M382 E386	M382-E390 HydrophobicContact CE-CB 4.23Å; E386-E390 VanDerWaalsContact O-CB 3.28Å; E386-E390 WeakPolarHBondContact O-CB 3.39Å; E386-E390 WeakPolarHBondContact O-CG 3.37Å; E386-E390 PolarHBondContact O-N 2.65Å
391	I	96	Very high	93.1	Very high	37 Å²	37	36 Å²	36	19%	0.19	18%	0.179	C	C	.	.	I	π-helix	trans	-118.3	-58.7	-176.2	-52.3	-61.2	0	0	0	111.5	L348 Y380 M382 F387 H395	L348-I391 HydrophobicContact CD1-CG2 3.77Å; Y380-I391 HydrophobicContact CD1-CD1 4.25Å; Y380-I391 HydrophobicContact CD1-CG1 4.17Å; Y380-I391 HydrophobicContact CE1-CD1 3.74Å; Y380-I391 HydrophobicContact CE1-CG1 4.01Å; Y380-I391 HydrophobicContact CE1-CG2 4.1Å; Y380-I391 HydrophobicContact CE2-CG2 4.01Å; M382-I391 HydrophobicContact CE-CG1 4.28Å; M382-I391 HydrophobicContact SD-CD1 4.36Å; M382-I391 HydrophobicContact SD-CG1 3.79Å; F387-I391 HydrophobicContact CD2-CB 3.84Å; F387-I391 HydrophobicContact CD2-CG1 4.02Å; F387-I391 HydrophobicContact CD2-CG2 4.15Å; F387-I391 HydrophobicContact CE2-CB 3.94Å; F387-I391 HydrophobicContact CE2-CG1 4.44Å; F387-I391 HydrophobicContact CE2-CG2 3.75Å; F387-I391 WeakPolarHBondContact O-CA 3.45Å; F387-I391 WeakPolarHBondContact O-CB 3.49Å; F387-I391 PolarHBondContact O-N 2.81Å; F387-I391 VanDerWaalsContact O-N 3.1Å; I391-H395 WeakPolarHBondContact O-CB 3.4Å; I391-H395 PolarHBondContact O-N 2.79Å
392	L	96.8	Very high	91.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-63.7	-57.4	-173.2	-175	165.2	0	0	0	111.7	Y327 F387 I388 H395 Y396 V422 F437 L476	Y327-L392 HydrophobicContact CD1-CB 4.11Å; Y327-L392 HydrophobicContact CD1-CD1 4.21Å; Y327-L392 HydrophobicContact CD1-CG 3.67Å; Y327-L392 HydrophobicContact CD2-CD1 3.95Å; Y327-L392 HydrophobicContact CD2-CD2 4.29Å; Y327-L392 HydrophobicContact CD2-CG 3.73Å; Y327-L392 HydrophobicContact CE1-CB 4.39Å; Y327-L392 HydrophobicContact CE1-CG 3.99Å; Y327-L392 HydrophobicContact CE2-CD2 4.25Å; Y327-L392 HydrophobicContact CE2-CG 4Å; Y327-L392 HydrophobicContact CG-CB 4.39Å; Y327-L392 HydrophobicContact CG-CD1 3.66Å; Y327-L392 HydrophobicContact CG-CG 3.53Å; F387-L392 PolarHBondContact O-N 3.42Å; I388-L392 HydrophobicContact CG1-CD1 4.25Å; I388-L392 WeakPolarHBondContact O-CB 3.44Å; I388-L392 PolarHBondContact O-N 3Å; L392-H395 PolarHBondContact O-N 2.81Å; L392-Y396 WeakPolarHBondContact O-CB 3.17Å; L392-Y396 PolarHBondContact O-N 3Å; L392-V422 HydrophobicContact CD1-CG1 4.01Å; L392-V422 HydrophobicContact CD1-CG2 4Å; L392-F437 HydrophobicContact CD1-CE1 4.3Å; L392-F437 HydrophobicContact CD1-CZ 4.26Å; L392-F437 HydrophobicContact CD2-CE1 3.93Å; L392-L476 HydrophobicContact CD2-CD1 4.47Å
393	L	94.5	Very high	89.2	Confident	3 Å²	3	36 Å²	36	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-43.9	-175.3	-73	177.6	0	0	0	112.4	I388 H395 Y396 R397 F437 L563 L568 Y572	I388-L393 HydrophobicContact CG2-CD1 4.23Å; I388-L393 HydrophobicContact CG2-CG 4.18Å; I388-L393 WeakPolarHBondContact O-CB 3.39Å; I388-L393 WeakPolarHBondContact O-CG 3.4Å; I388-L393 PolarHBondContact O-N 2.85Å; L393-H395 PolarHBondContact O-N 2.89Å; L393-Y396 HydrophobicContact CD2-CD1 4.32Å; L393-Y396 PolarHBondContact O-N 2.81Å; L393-R397 WeakPolarHBondContact O-CB 3.29Å; L393-R397 PolarHBondContact O-N 3.28Å; L393-F437 HydrophobicContact CD2-CD1 3.92Å; L393-F437 HydrophobicContact CD2-CE1 4.37Å; L393-L563 HydrophobicContact CD2-CD1 4.04Å; L393-L568 HydrophobicContact CD2-CD2 3.97Å; L393-Y572 HydrophobicContact CD1-CD2 4.27Å; L393-Y572 HydrophobicContact CD1-CE1 4.23Å; L393-Y572 HydrophobicContact CD1-CE2 3.72Å
394	P	92	Very high	86.8	Confident	62 Å²	62	43.4 Å²	43.4	40%	0.403	21%	0.21	S	C	.	.	H	α-helix	trans	-61.9	-42.1	173.5	-28	38.6	0	0	0	113.2	R389 R397 K398	R389-P394 VanDerWaalsContact O-CD 3.24Å; R389-P394 WeakPolarHBondContact O-CD 3.42Å; P394-R397 PolarHBondContact O-N 2.95Å; P394-K398 WeakPolarHBondContact O-CB 3.36Å; P394-K398 PolarHBondContact O-N 3.23Å
395	H	92.8	Very high	84.1	Confident	38 Å²	38	47.1 Å²	47.1	18%	0.176	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-45.3	176.5	-174.9	-81.7	0	0	0	111.6	Y327 L348 I391 L392 L393 K398 Y399	Y327-H395 HydrophobicContact CE1-CB 4.26Å; Y327-H395 AromaticContact CE1-ND1 3.71Å; Y327-H395 AromaticContact CZ-ND1 3.71Å; Y327-H395 PolarHBondContact OH-ND1 2.78Å; L348-H395 HydrophobicContact CD1-CB 4.26Å; I391-H395 WeakPolarHBondContact O-CB 3.4Å; I391-H395 PolarHBondContact O-N 2.79Å; L392-H395 PolarHBondContact O-N 2.81Å; L393-H395 PolarHBondContact O-N 2.89Å; H395-K398 PolarHBondContact O-N 2.84Å; H395-Y399 AromaticContact CD2-CD2 3.82Å; H395-Y399 AromaticContact CD2-CE2 3.56Å; H395-Y399 AromaticContact CE1-CD2 3.39Å; H395-Y399 WeakPolarHBondContact CE1-CD2 3.31Å; H395-Y399 AromaticContact CE1-CE2 3.72Å; H395-Y399 AromaticContact CG-CD2 3.92Å; H395-Y399 AromaticContact ND1-CD2 3.67Å; H395-Y399 AromaticContact NE2-CD2 3.49Å; H395-Y399 WeakPolarHBondContact NE2-CD2 3.27Å; H395-Y399 AromaticContact NE2-CE2 3.29Å; H395-Y399 VanDerWaalsContact NE2-CE2 3.29Å; H395-Y399 WeakPolarHBondContact NE2-CE2 3.24Å; H395-Y399 VanDerWaalsContact O-CD2 3.28Å; H395-Y399 WeakPolarHBondContact O-CD2 3.48Å; H395-Y399 PolarHBondContact O-N 2.88Å; H395-Y399 VanDerWaalsContact O-N 3.07Å
396	Y	93.4	Very high	81.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-43.2	176.1	169.7	-122.3	0	0	0	112.1	Y327 L392 L393 K398 G400 F420 I473 K474 L476 L563 L568	Y327-Y396 WeakPolarHBondContact OH-CA 3.12Å; Y327-Y396 PolarHBondContact OH-N 3.14Å; L392-Y396 WeakPolarHBondContact O-CB 3.17Å; L392-Y396 PolarHBondContact O-N 3Å; L393-Y396 HydrophobicContact CD2-CD1 4.32Å; L393-Y396 PolarHBondContact O-N 2.81Å; Y396-K398 PolarHBondContact O-N 2.82Å; Y396-G400 VanDerWaalsContact O-CA 3.25Å; Y396-G400 WeakPolarHBondContact O-CA 3.4Å; Y396-G400 PolarHBondContact O-N 3.4Å; Y396-F420 HydrophobicContact CD2-CB 4.26Å; Y396-F420 AromaticContact CD2-CD1 3.92Å; Y396-F420 HydrophobicContact CD2-CD1 3.92Å; Y396-F420 AromaticContact CD2-CD2 3.93Å; Y396-F420 HydrophobicContact CD2-CD2 3.93Å; Y396-F420 HydrophobicContact CD2-CE1 4.23Å; Y396-F420 HydrophobicContact CD2-CE2 4.26Å; Y396-F420 AromaticContact CD2-CG 3.76Å; Y396-F420 HydrophobicContact CD2-CG 3.76Å; Y396-F420 HydrophobicContact CD2-CZ 4.39Å; Y396-F420 HydrophobicContact CE2-CB 4.41Å; Y396-F420 AromaticContact CE2-CD2 3.94Å; Y396-F420 HydrophobicContact CE2-CD2 3.94Å; Y396-F420 HydrophobicContact CE2-CE2 4.42Å; Y396-F420 HydrophobicContact CE2-CG 4.1Å; Y396-I473 HydrophobicContact CD1-CD1 4Å; Y396-I473 HydrophobicContact CD2-CD1 3.99Å; Y396-I473 HydrophobicContact CE1-CD1 3.5Å; Y396-I473 HydrophobicContact CE1-CG1 4.07Å; Y396-I473 HydrophobicContact CE2-CD1 3.49Å; Y396-I473 VanDerWaalsContact CE2-CD1 3.49Å; Y396-I473 HydrophobicContact CE2-CG1 4.14Å; Y396-I473 HydrophobicContact CG-CD1 4.24Å; Y396-I473 WeakPolarHBondContact OH-CG1 3.14Å; Y396-K474 VanDerWaalsContact CE2-O 3.28Å; Y396-K474 WeakPolarHBondContact CE2-O 3.33Å; Y396-K474 PolarHBondContact OH-O 3.25Å; Y396-L476 HydrophobicContact CD1-CD1 4.36Å; Y396-L476 HydrophobicContact CD1-CD2 4.18Å; Y396-L476 HydrophobicContact CD1-CG 4.42Å; Y396-L476 HydrophobicContact CD2-CD2 3.62Å; Y396-L476 HydrophobicContact CD2-CG 4.42Å; Y396-L476 HydrophobicContact CE1-CD1 4.09Å; Y396-L476 HydrophobicContact CE1-CD2 4.15Å; Y396-L476 HydrophobicContact CE1-CG 3.98Å; Y396-L476 HydrophobicContact CE2-CD2 3.59Å; Y396-L476 HydrophobicContact CE2-CG 3.98Å; Y396-L476 HydrophobicContact CG-CD2 3.9Å; Y396-L563 HydrophobicContact CE1-CD1 4.3Å; Y396-L568 HydrophobicContact CD1-CD1 4.26Å; Y396-L568 HydrophobicContact CD1-CD2 3.87Å; Y396-L568 HydrophobicContact CE1-CD1 3.94Å; Y396-L568 HydrophobicContact CE1-CD2 3.87Å
397	R	89.5	Confident	78.7	Confident	38 Å²	38	53.2 Å²	53.2	14%	0.143	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-47.7	173.7	172.1	169.7	163.9	-163.5	-6	111.8	L393 P394 S401 D452 L568 F569	L393-R397 WeakPolarHBondContact O-CB 3.29Å; L393-R397 PolarHBondContact O-N 3.28Å; P394-R397 PolarHBondContact O-N 2.95Å; R397-S401 PolarHBondContact O-OG 2.89Å; R397-S401 VanDerWaalsContact O-OG 3.1Å; R397-D452 IonicContact CZ-OD2 3.91Å; R397-D452 IonicContact NH2-OD1 3.13Å; R397-D452 PolarHBondContact NH2-OD1 3.25Å; R397-D452 VanDerWaalsContact NH2-OD1 3.13Å; R397-D452 IonicContact NH2-OD2 2.84Å; R397-D452 PolarHBondContact NH2-OD2 2.94Å; R397-L568 HydrophobicContact CB-CB 4.24Å; R397-L568 WeakPolarHBondContact CD-O 3.48Å; R397-L568 HydrophobicContact CG-CB 4.35Å; R397-L568 PolarHBondContact NH1-O 2.75Å; R397-L568 VanDerWaalsContact NH1-O 3.12Å; R397-F569 VanDerWaalsContact CZ-CE1 3.47Å
398	K	88	Confident	76.1	Confident	118 Å²	118	60 Å²	60	51%	0.513	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-47.1	-178	-176.6	-178.4	178	-167.5	0	112	P394 H395 Y396	P394-K398 WeakPolarHBondContact O-CB 3.36Å; P394-K398 PolarHBondContact O-N 3.23Å; H395-K398 PolarHBondContact O-N 2.84Å; Y396-K398 PolarHBondContact O-N 2.82Å
399	Y	88.2	Confident	73.5	Confident	12 Å²	12	67.5 Å²	67.5	5%	0.047	35%	0.347	C	S	.	.	H	α-helix	trans	-101.2	-12.1	-172.6	-63	-68.3	0	0	0	114.7	H395 S402 I413	H395-Y399 AromaticContact CD2-CD2 3.82Å; H395-Y399 AromaticContact CD2-CE2 3.56Å; H395-Y399 AromaticContact CE1-CD2 3.39Å; H395-Y399 WeakPolarHBondContact CE1-CD2 3.31Å; H395-Y399 AromaticContact CE1-CE2 3.72Å; H395-Y399 AromaticContact CG-CD2 3.92Å; H395-Y399 AromaticContact ND1-CD2 3.67Å; H395-Y399 AromaticContact NE2-CD2 3.49Å; H395-Y399 WeakPolarHBondContact NE2-CD2 3.27Å; H395-Y399 AromaticContact NE2-CE2 3.29Å; H395-Y399 VanDerWaalsContact NE2-CE2 3.29Å; H395-Y399 WeakPolarHBondContact NE2-CE2 3.24Å; H395-Y399 VanDerWaalsContact O-CD2 3.28Å; H395-Y399 WeakPolarHBondContact O-CD2 3.48Å; H395-Y399 PolarHBondContact O-N 2.88Å; H395-Y399 VanDerWaalsContact O-N 3.07Å; Y399-S402 PolarHBondContact O-OG 2.8Å; Y399-S402 VanDerWaalsContact O-OG 3.08Å; Y399-I413 HydrophobicContact CD1-CG2 4.29Å; Y399-I413 HydrophobicContact CE1-CB 4.31Å; Y399-I413 HydrophobicContact CE1-CG2 4.01Å
400	G	86	Confident	71	Confident	2 Å²	2	67.5 Å²	67.5	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-85.3	-19.9	-179	0	0	0	0	0	114	Y396	Y396-G400 VanDerWaalsContact O-CA 3.25Å; Y396-G400 WeakPolarHBondContact O-CA 3.4Å; Y396-G400 PolarHBondContact O-N 3.4Å
401	S	73.9	Confident	68.9	Low	65 Å²	65	68.2 Å²	68.2	46%	0.455	36%	0.36	S	S	.	.	S	Bend	trans	-91.7	-11	-179.6	-48.9	0	0	0	0	113.6	R397 D403	R397-S401 PolarHBondContact O-OG 2.89Å; R397-S401 VanDerWaalsContact O-OG 3.1Å; S401-D403 PolarHBondContact O-N 3.02Å; S401-D403 VanDerWaalsContact O-N 3.15Å
402	S	59.6	Low	66.8	Low	2 Å²	2	72.9 Å²	72.9	1%	0.014	40%	0.396	C	S	.	.			trans	-81.3	92.2	-176.3	57.5	0	0	0	0	110.6	Y399 S414	Y399-S402 PolarHBondContact O-OG 2.8Å; Y399-S402 VanDerWaalsContact O-OG 3.08Å; S402-S414 PolarHBondContact OG-O 3.14Å
403	D	54.1	Low	64.8	Low	98 Å²	98	74.7 Å²	74.7	52%	0.524	41%	0.405	S	S	.	.	S	Bend	trans	-80	-30.9	167.2	-79.6	-35.5	0	0	0	112	S401 K474	S401-D403 PolarHBondContact O-N 3.02Å; S401-D403 VanDerWaalsContact O-N 3.15Å; D403-K474 IonicContact OD1-NZ 3.81Å
404	K	45.1	Very low	62.7	Low	185 Å²	185	75.1 Å²	75.1	80%	0.804	41%	0.408	S	S	*	.			trans	-163.2	66.2	173.4	-65.6	-170.7	-178.2	172.1	0	113.1	E406	K404-E406 PolarHBondContact O-N 3.01Å
405	I	41	Very low	60.9	Low	81 Å²	81	75.2 Å²	75.2	42%	0.415	41%	0.411	S	S	.	.			trans	-79.8	105	173.3	-56	178.8	0	0	0	108.4	S407 S415	I405-S407 WeakPolarHBondContact CG2-OG 3.3Å; I405-S407 PolarHBondContact O-N 2.81Å; I405-S415 PolarHBondContact O-OG 2.8Å
406	E	39.9	Very low	60.1	Low	188 Å²	188	76 Å²	76	88%	0.879	42%	0.42	S	S	*	.			trans	-79.1	37.1	170.2	-65.4	-174.9	166.3	0	0	111.9	K404	K404-E406 PolarHBondContact O-N 3.01Å
407	S	38.6	Very low	60	Low	56 Å²	56	76 Å²	76	39%	0.392	42%	0.42	S	S	.	.			trans	-81.2	131.3	178.8	66.5	0	0	0	0	110.8	I405 D409 C410	I405-S407 WeakPolarHBondContact CG2-OG 3.3Å; I405-S407 PolarHBondContact O-N 2.81Å; S407-D409 PolarHBondContact O-N 2.99Å; S407-C410 PolarHBondContact O-SG 3.01Å
408	T	43.3	Very low	60	Low	141 Å²	141	76.7 Å²	76.7	87%	0.865	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-11.2	-175.6	48.6	0	0	0	0	114.4
409	D	41.9	Very low	60.3	Low	158 Å²	158	72.2 Å²	72.2	85%	0.845	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	12.9	-178.3	-78.5	-10.5	0	0	0	113.5	S407	S407-D409 PolarHBondContact O-N 2.99Å
410	C	42.9	Very low	60.7	Low	47 Å²	47	71.6 Å²	71.6	32%	0.318	40%	0.404	S	S	.	.			trans	-78.1	133.5	179.5	68	0	0	0	0	112.4	S407	S407-C410 PolarHBondContact O-SG 3.01Å
411	D	49.2	Very low	61.3	Low	102 Å²	102	71.5 Å²	71.5	55%	0.545	40%	0.404	S	S	.	.			trans	-47.4	144.2	159.5	-69.2	-46.8	0	0	0	108.8	I413 S414	D411-I413 HydrophobicContact CB-CG1 4.45Å; D411-I413 PolarHBondContact O-N 2.81Å; D411-S414 PolarHBondContact O-N 3.35Å
412	S	52	Low	62.5	Low	134 Å²	134	68.4 Å²	68.4	94%	0.937	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-5	-179.9	56	0	0	0	0	116.4
413	I	54.1	Low	64.4	Low	38 Å²	38	68.3 Å²	68.3	20%	0.195	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-31.2	179.7	-54	177	0	0	0	112	Y399 D411 S415 I417	Y399-I413 HydrophobicContact CD1-CG2 4.29Å; Y399-I413 HydrophobicContact CE1-CB 4.31Å; Y399-I413 HydrophobicContact CE1-CG2 4.01Å; D411-I413 HydrophobicContact CB-CG1 4.45Å; D411-I413 PolarHBondContact O-N 2.81Å; I413-S415 PolarHBondContact O-N 2.87Å; I413-I417 HydrophobicContact CG2-CD1 4.12Å
414	S	51	Low	66.5	Low	12 Å²	12	63.7 Å²	63.7	8%	0.084	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-22.5	-150.4	-160.3	0	0	0	0	117.7	S402 D411	S402-S414 PolarHBondContact OG-O 3.14Å; D411-S414 PolarHBondContact O-N 3.35Å
415	S	53.9	Low	68.9	Low	65 Å²	65	56.7 Å²	56.7	46%	0.455	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-0.2	-165.5	-51.4	0	0	0	0	115.3	I405 I413	I405-S415 PolarHBondContact O-OG 2.8Å; I413-S415 PolarHBondContact O-N 2.87Å
416	S	76.9	Confident	71.4	Confident	54 Å²	54	54.3 Å²	54.3	38%	0.378	32%	0.316	S	S	.	.			trans	-156.5	36.4	-172.4	73.5	0	0	0	0	117.2	R323 D418	R323-S416 VanDerWaalsContact CB-O 3.27Å; R323-S416 WeakPolarHBondContact CB-O 3.47Å; R323-S416 VanDerWaalsContact CD-O 3.31Å; R323-S416 WeakPolarHBondContact CD-O 3.44Å; R323-S416 WeakPolarHBondContact CD-OG 3.15Å; R323-S416 WeakPolarHBondContact CG-O 3.48Å; S416-D418 PolarHBondContact O-N 2.89Å
417	I	89.9	Confident	73.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.28	C	S	.	.			trans	-71.4	118.3	172.2	-55.9	-55	0	0	0	109.4	D322 V325 I413 F420 K474	D322-I417 WeakPolarHBondContact O-CD1 3.31Å; V325-I417 HydrophobicContact CG2-CD1 3.97Å; V325-I417 HydrophobicContact CG2-CG1 4.13Å; V325-I417 HydrophobicContact CG2-CG2 3.79Å; I413-I417 HydrophobicContact CG2-CD1 4.12Å; I417-F420 HydrophobicContact CB-CE1 4.46Å; I417-F420 HydrophobicContact CB-CE2 4.29Å; I417-F420 HydrophobicContact CB-CZ 3.84Å; I417-F420 HydrophobicContact CG2-CD1 4.25Å; I417-F420 HydrophobicContact CG2-CD2 4.22Å; I417-F420 HydrophobicContact CG2-CE1 3.7Å; I417-F420 HydrophobicContact CG2-CE2 3.65Å; I417-F420 HydrophobicContact CG2-CG 4.49Å; I417-F420 HydrophobicContact CG2-CZ 3.35Å; I417-K474 PolarHBondContact O-NZ 3.45Å
418	D	89.7	Confident	76.3	Confident	53 Å²	53	47.1 Å²	47.1	28%	0.283	28%	0.278	S	S	.	.			trans	-90	-29.2	178.6	-67	-39.4	0	0	0	112.2	I319 R323 S416	I319-D418 HydrophobicContact CD1-CB 4.43Å; I319-D418 HydrophobicContact CG2-CB 4.13Å; R323-D418 HydrophobicContact CB-CB 4.42Å; R323-D418 IonicContact CZ-OD2 3.33Å; R323-D418 IonicContact NE-OD2 3.37Å; R323-D418 PolarHBondContact NE-OD2 3.34Å; R323-D418 IonicContact NH1-OD2 2.7Å; R323-D418 IonicContact NH2-OD2 3.87Å; R323-D418 PolarHBondContact NH2-OD2 3.35Å; R323-D418 PolarHBondContact O-N 2.75Å; S416-D418 PolarHBondContact O-N 2.89Å
419	R	94.2	Very high	78.6	Confident	23 Å²	23	43.8 Å²	43.8	9%	0.087	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	132	-165.3	-168	178.4	178.4	76.5	3.7	112.6	L303 I319 R323 V324 V325 V421 Y477	L303-R419 VanDerWaalsContact O-CD 3.29Å; L303-R419 WeakPolarHBondContact O-CD 3.26Å; L303-R419 PolarHBondContact O-NE 3.28Å; I319-R419 HydrophobicContact CD1-CB 4.45Å; R323-R419 PolarHBondContact O-N 2.8Å; V324-R419 WeakPolarHBondContact CA-O 3.37Å; V324-R419 HydrophobicContact CG1-CB 4.34Å; V324-R419 HydrophobicContact CG2-CB 4.2Å; V325-R419 PolarHBondContact N-O 3.42Å; R419-V421 HydrophobicContact CG-CG2 4.01Å; R419-Y477 HydrophobicContact CG-CD2 3.64Å; R419-Y477 HydrophobicContact CG-CE2 3.77Å; R419-Y477 HydrophobicContact CG-CG 4.46Å; R419-Y477 VanDerWaalsContact CZ-CD1 3.42Å; R419-Y477 VanDerWaalsContact NH2-CG 3.28Å
420	F	97.7	Very high	81.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.5	173.6	-63.8	-85.8	0	0	0	109.7	V325 Y327 Y396 I417 K474 L476 Y477	V325-F420 HydrophobicContact CB-CD1 3.75Å; V325-F420 HydrophobicContact CB-CE1 4.08Å; V325-F420 HydrophobicContact CG1-CD1 4.19Å; V325-F420 HydrophobicContact CG2-CD1 4.14Å; V325-F420 HydrophobicContact CG2-CE1 3.94Å; Y327-F420 HydrophobicContact CE2-CB 4.24Å; Y327-F420 AromaticContact CE2-CD1 3.92Å; Y327-F420 HydrophobicContact CE2-CD1 3.92Å; Y327-F420 WeakPolarHBondContact OH-CD1 3.29Å; Y396-F420 HydrophobicContact CD2-CB 4.26Å; Y396-F420 AromaticContact CD2-CD1 3.92Å; Y396-F420 HydrophobicContact CD2-CD1 3.92Å; Y396-F420 AromaticContact CD2-CD2 3.93Å; Y396-F420 HydrophobicContact CD2-CD2 3.93Å; Y396-F420 HydrophobicContact CD2-CE1 4.23Å; Y396-F420 HydrophobicContact CD2-CE2 4.26Å; Y396-F420 AromaticContact CD2-CG 3.76Å; Y396-F420 HydrophobicContact CD2-CG 3.76Å; Y396-F420 HydrophobicContact CD2-CZ 4.39Å; Y396-F420 HydrophobicContact CE2-CB 4.41Å; Y396-F420 AromaticContact CE2-CD2 3.94Å; Y396-F420 HydrophobicContact CE2-CD2 3.94Å; Y396-F420 HydrophobicContact CE2-CE2 4.42Å; Y396-F420 HydrophobicContact CE2-CG 4.1Å; I417-F420 HydrophobicContact CB-CE1 4.46Å; I417-F420 HydrophobicContact CB-CE2 4.29Å; I417-F420 HydrophobicContact CB-CZ 3.84Å; I417-F420 HydrophobicContact CG2-CD1 4.25Å; I417-F420 HydrophobicContact CG2-CD2 4.22Å; I417-F420 HydrophobicContact CG2-CE1 3.7Å; I417-F420 HydrophobicContact CG2-CE2 3.65Å; I417-F420 HydrophobicContact CG2-CG 4.49Å; I417-F420 HydrophobicContact CG2-CZ 3.35Å; F420-K474 HydrophobicContact CD2-CB 4.46Å; F420-L476 HydrophobicContact CB-CD2 3.73Å; F420-Y477 WeakPolarHBondContact O-CD2 3.27Å; F420-Y477 PolarHBondContact O-N 2.8Å
421	V	98.8	Very high	83.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134	-178.2	-176.5	0	0	0	0	109.6	L303 V324 V325 V326 Y327 R419 I423 Y477 Y479	L303-V421 HydrophobicContact CD2-CB 4.13Å; L303-V421 HydrophobicContact CD2-CG1 3.74Å; L303-V421 HydrophobicContact CD2-CG2 4.06Å; V324-V421 HydrophobicContact CG1-CG2 4.21Å; V325-V421 PolarHBondContact O-N 3.06Å; V326-V421 CarbonylContact C-O 3.59Å; V326-V421 WeakPolarHBondContact CA-O 3.47Å; V326-V421 HydrophobicContact CG2-CB 4.38Å; Y327-V421 WeakPolarHBondContact CD2-O 3.29Å; Y327-V421 PolarHBondContact N-O 3.21Å; R419-V421 HydrophobicContact CG-CG2 4.01Å; V421-I423 HydrophobicContact CG1-CG1 4.21Å; V421-Y477 CarbonylContact C-O 3.48Å; V421-Y477 WeakPolarHBondContact CA-O 3.35Å; V421-Y479 HydrophobicContact CG1-CD2 3.62Å; V421-Y479 HydrophobicContact CG1-CE2 3.61Å
422	V	98.9	Very high	86	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.3	172.4	-170.6	0	0	0	0	108.9	Y327 V329 L392 M424 F437 L476 Y477 I478 Y479	Y327-V422 HydrophobicContact CD2-CG2 4.04Å; Y327-V422 CarbonylContact O-C 3.5Å; Y327-V422 WeakPolarHBondContact O-CA 3.47Å; V329-V422 HydrophobicContact CG2-CG1 3.79Å; L392-V422 HydrophobicContact CD1-CG1 4.01Å; L392-V422 HydrophobicContact CD1-CG2 4Å; V422-M424 HydrophobicContact CG1-CG 3.98Å; V422-F437 HydrophobicContact CG1-CZ 4.23Å; V422-F437 HydrophobicContact CG2-CZ 4.47Å; V422-L476 HydrophobicContact CG2-CB 4.3Å; V422-L476 HydrophobicContact CG2-CD1 4.45Å; V422-L476 HydrophobicContact CG2-CD2 4.13Å; V422-Y477 PolarHBondContact N-O 3.49Å; V422-I478 HydrophobicContact CB-CD1 3.54Å; V422-I478 HydrophobicContact CG1-CD1 4.33Å; V422-I478 HydrophobicContact CG2-CD1 3.53Å; V422-I478 CarbonylContact O-C 3.54Å; V422-I478 WeakPolarHBondContact O-CA 3.28Å; V422-Y479 PolarHBondContact O-N 2.97Å
423	I	98.9	Very high	88.1	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.1	176.1	-56.4	173.2	0	0	0	108.2	V299 V326 Y327 V329 F336 V421 N425 Y479 Y481	V299-I423 HydrophobicContact CG1-CD1 3.76Å; V299-I423 HydrophobicContact CG1-CG1 4.28Å; V326-I423 HydrophobicContact CG1-CD1 3.81Å; V326-I423 HydrophobicContact CG1-CG1 4.34Å; Y327-I423 PolarHBondContact O-N 2.96Å; V329-I423 PolarHBondContact N-O 3.41Å; F336-I423 HydrophobicContact CB-CD1 3.84Å; F336-I423 HydrophobicContact CD1-CD1 4.21Å; F336-I423 HydrophobicContact CD2-CG2 4.1Å; F336-I423 HydrophobicContact CE2-CG2 4.23Å; F336-I423 HydrophobicContact CG-CD1 4.11Å; F336-I423 HydrophobicContact CG-CG2 4.27Å; F336-I423 HydrophobicContact CZ-CG2 4.46Å; V421-I423 HydrophobicContact CG1-CG1 4.21Å; I423-N425 HydrophobicContact CG2-CB 4.42Å; I423-Y479 HydrophobicContact CG1-CD2 4.34Å; I423-Y481 HydrophobicContact CG2-CE2 4.47Å
424	M	98.5	Very high	90.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	85.6	178.1	-58.3	-167.9	-44.8	0	0	109.6	V329 F330 V422 L426 A430 L434 F437 I478 Y479 C480 Y481	V329-M424 HydrophobicContact CB-CG 4.26Å; V329-M424 HydrophobicContact CG2-CG 3.9Å; F330-M424 HydrophobicContact CD2-CB 4.33Å; F330-M424 HydrophobicContact CE2-CB 4.01Å; V422-M424 HydrophobicContact CG1-CG 3.98Å; M424-L426 PolarHBondContact O-N 2.91Å; M424-A430 HydrophobicContact CB-CB 3.95Å; M424-A430 HydrophobicContact CE-CB 4.35Å; M424-A430 VanDerWaalsContact CE-O 3.27Å; M424-A430 WeakPolarHBondContact CE-O 3.48Å; M424-A430 WeakPolarHBondContact O-CB 3.49Å; M424-L434 HydrophobicContact CE-CD1 4.37Å; M424-L434 HydrophobicContact CE-CD2 3.6Å; M424-L434 HydrophobicContact CE-CG 3.81Å; M424-L434 HydrophobicContact SD-CD2 4.26Å; M424-F437 HydrophobicContact SD-CE2 4.4Å; M424-I478 HydrophobicContact CE-CG2 4.18Å; M424-Y479 PolarHBondContact N-O 3.4Å; M424-C480 HydrophobicContact CE-CB 3.72Å; M424-C480 WeakPolarHBondContact CE-SG 3.39Å; M424-Y481 WeakPolarHBondContact O-CD2 3.2Å; M424-Y481 PolarHBondContact O-N 3.35Å
425	N	95.1	Very high	92.2	Very high	38 Å²	38	26.8 Å²	26.8	20%	0.203	15%	0.148	C	C	.	.			trans	-89.7	18.5	-169.5	74.6	24.8	0	0	0	115.8	F330 F336 I423 P427 Y481	F330-N425 WeakPolarHBondContact CB-OD1 3.27Å; F330-N425 VanDerWaalsContact O-CG 3.31Å; F330-N425 PolarHBondContact O-ND2 3.4Å; F330-N425 PolarHBondContact O-OD1 3.43Å; F336-N425 HydrophobicContact CE2-CB 3.85Å; F336-N425 WeakPolarHBondContact CE2-ND2 3.48Å; F336-N425 HydrophobicContact CZ-CB 4.5Å; I423-N425 HydrophobicContact CG2-CB 4.42Å; N425-P427 WeakPolarHBondContact O-CD 3.44Å; N425-Y481 HydrophobicContact CB-CD2 4Å; N425-Y481 HydrophobicContact CB-CE2 4.24Å
426	L	93.4	Very high	94.1	Very high	32 Å²	32	23.7 Å²	23.7	17%	0.168	13%	0.127	C	C	.	.			trans	-100.4	86.4	-179	-175.3	59.6	0	0	0	111.1	R255 F330 M424 Q428 L429 A430	R255-L426 HydrophobicContact CG-CD1 4.22Å; F330-L426 HydrophobicContact CD1-CD2 4.39Å; F330-L426 HydrophobicContact CD2-CB 3.44Å; F330-L426 VanDerWaalsContact CD2-CB 3.44Å; F330-L426 HydrophobicContact CE1-CD2 4.24Å; F330-L426 HydrophobicContact CE2-CB 3.66Å; F330-L426 HydrophobicContact CE2-CD2 4.47Å; F330-L426 HydrophobicContact CG-CB 3.93Å; F330-L426 HydrophobicContact CZ-CB 4.3Å; F330-L426 HydrophobicContact CZ-CD2 4.3Å; M424-L426 PolarHBondContact O-N 2.91Å; L426-Q428 PolarHBondContact O-N 3.08Å; L426-L429 HydrophobicContact CD2-CB 4.11Å; L426-L429 HydrophobicContact CD2-CD1 4.1Å; L426-L429 HydrophobicContact CG-CB 4.31Å; L426-L429 PolarHBondContact O-N 3.22Å; L426-A430 VanDerWaalsContact O-CB 3.3Å; L426-A430 WeakPolarHBondContact O-CB 3.43Å; L426-A430 PolarHBondContact O-N 2.76Å
427	P	91.6	Very high	94.9	Very high	20 Å²	20	21.1 Å²	21.1	13%	0.13	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.6	-156.7	-15.6	32.9	0	0	0	114.6	N425 Y481 C482 F483 M554	N425-P427 WeakPolarHBondContact O-CD 3.44Å; P427-Y481 VanDerWaalsContact CA-O 3.31Å; P427-Y481 WeakPolarHBondContact CA-O 3.34Å; P427-C482 CarbonylContact O-C 3.58Å; P427-C482 VanDerWaalsContact O-CA 3.24Å; P427-C482 WeakPolarHBondContact O-CA 3.27Å; P427-F483 HydrophobicContact CB-CD1 3.93Å; P427-F483 HydrophobicContact CB-CD2 4.05Å; P427-F483 HydrophobicContact CB-CE1 3.77Å; P427-F483 HydrophobicContact CB-CE2 3.94Å; P427-F483 HydrophobicContact CB-CG 4.05Å; P427-F483 HydrophobicContact CB-CZ 3.79Å; P427-F483 HydrophobicContact CG-CE1 4.11Å; P427-F483 HydrophobicContact CG-CE2 4.49Å; P427-F483 HydrophobicContact CG-CZ 4Å; P427-F483 PolarHBondContact O-N 3.36Å; P427-M554 HydrophobicContact CB-CG 4.46Å; P427-M554 HydrophobicContact CG-CE 3.57Å; P427-M554 HydrophobicContact CG-CG 4.37Å; P427-M554 HydrophobicContact CG-SD 4Å
428	Q	90.6	Very high	94.8	Very high	73 Å²	73	21.6 Å²	21.6	34%	0.341	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-30.7	175.1	-171.7	58.4	54.4	0	0	112	L426 F483	L426-Q428 PolarHBondContact O-N 3.08Å; Q428-F483 HydrophobicContact CB-CD2 4.21Å; Q428-F483 HydrophobicContact CB-CE2 4.13Å
429	L	92.4	Very high	94.4	Very high	70 Å²	70	19.4 Å²	19.4	37%	0.366	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-13.1	-166.6	-60.5	177.7	0	0	0	114.2	L426 I431 D432 F433	L426-L429 HydrophobicContact CD2-CB 4.11Å; L426-L429 HydrophobicContact CD2-CD1 4.1Å; L426-L429 HydrophobicContact CG-CB 4.31Å; L426-L429 PolarHBondContact O-N 3.22Å; L429-I431 VanDerWaalsContact C-N 3.28Å; L429-I431 PolarHBondContact O-N 2.99Å; L429-I431 VanDerWaalsContact O-N 3.14Å; L429-D432 WeakPolarHBondContact O-CA 3.39Å; L429-D432 WeakPolarHBondContact O-CB 3.36Å; L429-D432 PolarHBondContact O-N 2.78Å; L429-F433 HydrophobicContact CB-CD2 4.25Å; L429-F433 HydrophobicContact CB-CE2 3.99Å; L429-F433 WeakPolarHBondContact O-CD2 3.27Å; L429-F433 PolarHBondContact O-N 2.99Å
430	A	96.2	Very high	93.3	Very high	1 Å²	1	20 Å²	20	1%	0.008	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-56.3	-38.2	-167.7	0	0	0	0	0	114	F330 M424 L426 D432 F433 Y481	F330-A430 HydrophobicContact CE2-CB 4.49Å; M424-A430 HydrophobicContact CB-CB 3.95Å; M424-A430 HydrophobicContact CE-CB 4.35Å; M424-A430 VanDerWaalsContact CE-O 3.27Å; M424-A430 WeakPolarHBondContact CE-O 3.48Å; M424-A430 WeakPolarHBondContact O-CB 3.49Å; L426-A430 VanDerWaalsContact O-CB 3.3Å; L426-A430 WeakPolarHBondContact O-CB 3.43Å; L426-A430 PolarHBondContact O-N 2.76Å; A430-D432 VanDerWaalsContact C-N 3.26Å; A430-D432 PolarHBondContact O-N 3.34Å; A430-F433 PolarHBondContact O-N 2.89Å; A430-Y481 VanDerWaalsContact CB-O 3.27Å; A430-Y481 WeakPolarHBondContact CB-O 3.39Å
431	I	96.3	Very high	91.7	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-59.8	-40.8	175.7	-64.2	172.9	0	0	0	110.6	L429 F433 L434 C482 I494 R497 L498 A501	L429-I431 VanDerWaalsContact C-N 3.28Å; L429-I431 PolarHBondContact O-N 2.99Å; L429-I431 VanDerWaalsContact O-N 3.14Å; I431-F433 PolarHBondContact O-N 3.25Å; I431-L434 VanDerWaalsContact O-CB 3.31Å; I431-L434 WeakPolarHBondContact O-CB 3.38Å; I431-L434 PolarHBondContact O-N 2.89Å; I431-C482 HydrophobicContact CD1-CB 3.67Å; I431-C482 HydrophobicContact CG1-CB 4.13Å; I431-I494 HydrophobicContact CD1-CD1 4.24Å; I431-I494 HydrophobicContact CD1-CG2 3.89Å; I431-R497 HydrophobicContact CG2-CB 4.02Å; I431-L498 HydrophobicContact CG1-CD2 4.41Å; I431-L498 HydrophobicContact CG2-CD2 4.11Å; I431-L498 HydrophobicContact CG2-CG 4.13Å; I431-A501 HydrophobicContact CG2-CB 4.25Å; I431-A501 VanDerWaalsContact O-CB 3.23Å; I431-A501 WeakPolarHBondContact O-CB 3.44Å
432	D	95.5	Very high	89.4	Confident	63 Å²	63	33.5 Å²	33.5	34%	0.337	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-68.6	-22.2	-175.7	-49.7	-25.6	0	0	0	111.7	R385 L429 A430 L434 R497	R385-D432 PolarHBondContact NH2-O 3.11Å; L429-D432 WeakPolarHBondContact O-CA 3.39Å; L429-D432 WeakPolarHBondContact O-CB 3.36Å; L429-D432 PolarHBondContact O-N 2.78Å; A430-D432 VanDerWaalsContact C-N 3.26Å; A430-D432 PolarHBondContact O-N 3.34Å; D432-L434 VanDerWaalsContact C-N 3.25Å; D432-L434 PolarHBondContact O-N 3.04Å; D432-R497 IonicContact OD1-NH2 3.72Å
433	F	96.9	Very high	87.1	Confident	15 Å²	15	34.4 Å²	34.4	7%	0.066	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-77.3	-6.6	174.5	-81.6	-101.1	0	0	0	113.6	F330 R385 L429 A430 I431 D435 A436	F330-F433 HydrophobicContact CE1-CD1 4.25Å; F330-F433 AromaticContact CE1-CE1 3.98Å; F330-F433 HydrophobicContact CE1-CE1 3.98Å; F330-F433 HydrophobicContact CE1-CE2 4.27Å; F330-F433 AromaticContact CE1-CZ 3.98Å; F330-F433 HydrophobicContact CE1-CZ 3.98Å; F330-F433 HydrophobicContact CZ-CB 4.39Å; F330-F433 AromaticContact CZ-CD1 3.88Å; F330-F433 HydrophobicContact CZ-CD1 3.88Å; F330-F433 AromaticContact CZ-CD2 3.77Å; F330-F433 HydrophobicContact CZ-CD2 3.77Å; F330-F433 HydrophobicContact CZ-CE1 4.01Å; F330-F433 AromaticContact CZ-CE2 3.9Å; F330-F433 HydrophobicContact CZ-CE2 3.9Å; F330-F433 AromaticContact CZ-CG 3.75Å; F330-F433 HydrophobicContact CZ-CG 3.75Å; F330-F433 HydrophobicContact CZ-CZ 4.01Å; R385-F433 HydrophobicContact CG-CD1 3.58Å; R385-F433 HydrophobicContact CG-CE1 3.82Å; R385-F433 HydrophobicContact CG-CG 4.49Å; R385-F433 VanDerWaalsContact NH1-CE1 3.31Å; L429-F433 HydrophobicContact CB-CD2 4.25Å; L429-F433 HydrophobicContact CB-CE2 3.99Å; L429-F433 WeakPolarHBondContact O-CD2 3.27Å; L429-F433 PolarHBondContact O-N 2.99Å; A430-F433 PolarHBondContact O-N 2.89Å; I431-F433 PolarHBondContact O-N 3.25Å; F433-D435 WeakPolarHBondContact CA-OD1 3.45Å; F433-D435 PolarHBondContact O-N 3.18Å; F433-A436 VanDerWaalsContact O-CB 3.3Å; F433-A436 WeakPolarHBondContact O-CB 3.49Å; F433-A436 PolarHBondContact O-N 3.03Å; F433-A436 VanDerWaalsContact O-N 3.14Å
434	L	96.6	Very high	84.8	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-69.1	-17.9	175.2	-68.8	166	0	0	0	112.6	M424 I431 D432 A436 F437 L498 A501 L502 F559	M424-L434 HydrophobicContact CE-CD1 4.37Å; M424-L434 HydrophobicContact CE-CD2 3.6Å; M424-L434 HydrophobicContact CE-CG 3.81Å; M424-L434 HydrophobicContact SD-CD2 4.26Å; I431-L434 VanDerWaalsContact O-CB 3.31Å; I431-L434 WeakPolarHBondContact O-CB 3.38Å; I431-L434 PolarHBondContact O-N 2.89Å; D432-L434 VanDerWaalsContact C-N 3.25Å; D432-L434 PolarHBondContact O-N 3.04Å; L434-A436 PolarHBondContact O-N 3.4Å; L434-A436 VanDerWaalsContact O-N 3.13Å; L434-F437 HydrophobicContact CD2-CD2 3.89Å; L434-F437 HydrophobicContact CD2-CE2 3.85Å; L434-F437 PolarHBondContact O-N 3.41Å; L434-L498 HydrophobicContact CD1-CD2 3.1Å; L434-L498 HydrophobicContact CD1-CG 4.48Å; L434-A501 HydrophobicContact CB-CB 3.98Å; L434-L502 HydrophobicContact CB-CD2 3.99Å; L434-L502 HydrophobicContact CB-CG 4.17Å; L434-F559 HydrophobicContact CD1-CZ 4.25Å
435	D	94.1	Very high	82.4	Confident	53 Å²	53	44.6 Å²	44.6	28%	0.283	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-56.4	-22	168.6	69.2	-11.1	0	0	0	113.3	R385 F433 F437 V438 A501	R385-D435 IonicContact CZ-OD1 2.99Å; R385-D435 IonicContact CZ-OD2 3.31Å; R385-D435 IonicContact NE-OD1 2.95Å; R385-D435 PolarHBondContact NE-OD1 3.34Å; R385-D435 IonicContact NE-OD2 2.91Å; R385-D435 PolarHBondContact NE-OD2 2.73Å; R385-D435 IonicContact NH2-OD1 3.56Å; R385-D435 PolarHBondContact NH2-OD1 3.2Å; R385-D435 IonicContact NH2-OD2 3.03Å; R385-D435 PolarHBondContact NH2-OD2 3.09Å; F433-D435 WeakPolarHBondContact CA-OD1 3.45Å; F433-D435 PolarHBondContact O-N 3.18Å; D435-F437 VanDerWaalsContact C-N 3.28Å; D435-F437 PolarHBondContact O-N 3.24Å; D435-V438 PolarHBondContact O-N 3.39Å; D435-A501 WeakPolarHBondContact CA-O 3.49Å; D435-A501 PolarHBondContact N-O 3.08Å
436	A	94	Very high	80.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-73.7	-18.6	178.1	0	0	0	0	0	113.4	R385 I388 R389 F433 L434 V438	R385-A436 HydrophobicContact CB-CB 4.1Å; R385-A436 HydrophobicContact CG-CB 4.11Å; I388-A436 HydrophobicContact CB-CB 3.82Å; I388-A436 HydrophobicContact CD1-CB 3.8Å; I388-A436 HydrophobicContact CG1-CB 4.42Å; I388-A436 HydrophobicContact CG2-CB 3.66Å; R389-A436 HydrophobicContact CG-CB 4.47Å; F433-A436 VanDerWaalsContact O-CB 3.3Å; F433-A436 WeakPolarHBondContact O-CB 3.49Å; F433-A436 PolarHBondContact O-N 3.03Å; F433-A436 VanDerWaalsContact O-N 3.14Å; L434-A436 PolarHBondContact O-N 3.4Å; L434-A436 VanDerWaalsContact O-N 3.13Å; A436-V438 VanDerWaalsContact C-N 3.34Å
437	F	93.2	Very high	78	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-83.3	-10.8	176.3	-65.6	-85.9	0	0	0	113.3	I388 L392 L393 V422 M424 L434 D435 L476 L502 L561 L563	I388-F437 HydrophobicContact CD1-CE2 3.85Å; I388-F437 HydrophobicContact CD1-CZ 4.14Å; I388-F437 HydrophobicContact CG1-CE2 4.4Å; I388-F437 HydrophobicContact CG1-CZ 4.22Å; I388-F437 HydrophobicContact CG2-CD1 4.09Å; I388-F437 HydrophobicContact CG2-CD2 4.29Å; I388-F437 HydrophobicContact CG2-CE1 3.88Å; I388-F437 HydrophobicContact CG2-CE2 4.1Å; I388-F437 HydrophobicContact CG2-CG 4.29Å; I388-F437 HydrophobicContact CG2-CZ 3.88Å; L392-F437 HydrophobicContact CD1-CE1 4.3Å; L392-F437 HydrophobicContact CD1-CZ 4.26Å; L392-F437 HydrophobicContact CD2-CE1 3.93Å; L393-F437 HydrophobicContact CD2-CD1 3.92Å; L393-F437 HydrophobicContact CD2-CE1 4.37Å; V422-F437 HydrophobicContact CG1-CZ 4.23Å; V422-F437 HydrophobicContact CG2-CZ 4.47Å; M424-F437 HydrophobicContact SD-CE2 4.4Å; L434-F437 HydrophobicContact CD2-CD2 3.89Å; L434-F437 HydrophobicContact CD2-CE2 3.85Å; L434-F437 PolarHBondContact O-N 3.41Å; D435-F437 VanDerWaalsContact C-N 3.28Å; D435-F437 PolarHBondContact O-N 3.24Å; F437-L476 HydrophobicContact CD1-CD1 3.87Å; F437-L476 HydrophobicContact CE1-CD1 3.61Å; F437-L502 HydrophobicContact CB-CD2 4.46Å; F437-L561 HydrophobicContact CG-CD2 4.33Å; F437-L563 HydrophobicContact CB-CD1 4.31Å; F437-L563 HydrophobicContact CB-CD2 4.23Å; F437-L563 HydrophobicContact CD1-CD1 3.93Å
438	V	88.2	Confident	76	Confident	11 Å²	11	52.2 Å²	52.2	7%	0.067	30%	0.295	C	S	.	.	S	Bend	trans	-100.9	134	-176.5	-167.4	0	0	0	0	110	D435 A436 L502 N503 W567	D435-V438 PolarHBondContact O-N 3.39Å; A436-V438 VanDerWaalsContact C-N 3.34Å; V438-L502 HydrophobicContact CG2-CD2 4.37Å; V438-L502 WeakPolarHBondContact CG2-O 3.31Å; V438-N503 HydrophobicContact CG1-CB 3.96Å; V438-N503 HydrophobicContact CG2-CB 4.46Å; V438-W567 HydrophobicContact CB-CZ3 4.32Å; V438-W567 HydrophobicContact CG1-CH2 3.98Å; V438-W567 HydrophobicContact CG1-CZ3 4.05Å; V438-W567 HydrophobicContact CG2-CZ3 4.17Å
439	P	81.8	Confident	74.3	Confident	6 Å²	6	51.8 Å²	51.8	4%	0.039	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-59	145.2	166.2	-21.9	32.8	0	0	0	111.2	L441 I444 W567 Y570	P439-L441 PolarHBondContact O-N 3.14Å; P439-I444 HydrophobicContact CB-CG1 4.37Å; P439-W567 VanDerWaalsContact CD-CE3 3.49Å; P439-W567 HydrophobicContact CG-CB 3.58Å; P439-W567 HydrophobicContact CG-CD2 3.85Å; P439-W567 HydrophobicContact CG-CE3 4.44Å; P439-W567 HydrophobicContact CG-CG 3.45Å; P439-W567 VanDerWaalsContact CG-CG 3.45Å; P439-Y570 HydrophobicContact CB-CD1 4.36Å; P439-Y570 HydrophobicContact CB-CD2 4.4Å; P439-Y570 HydrophobicContact CB-CG 4.11Å
440	P	71.8	Confident	72.5	Confident	37 Å²	37	51.8 Å²	51.8	24%	0.24	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-58.1	132.8	174.6	-18.7	29.4	0	0	0	111.5	N442 C443 Y570 V577	P440-N442 PolarHBondContact O-N 2.87Å; P440-C443 HydrophobicContact CB-CB 4.38Å; P440-C443 WeakPolarHBondContact O-CB 3.32Å; P440-C443 PolarHBondContact O-N 3.43Å; P440-Y570 HydrophobicContact CG-CE1 3.97Å; P440-V577 HydrophobicContact CG-CG2 3.73Å
441	L	62.5	Low	70.2	Confident	129 Å²	129	56.7 Å²	56.7	68%	0.675	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-45.4	-39.4	-176.3	-82.9	138.9	0	0	0	114.2	P439 C443 N503	P439-L441 PolarHBondContact O-N 3.14Å; L441-C443 VanDerWaalsContact C-N 3.26Å; L441-C443 PolarHBondContact O-N 2.81Å; L441-N503 VanDerWaalsContact CD2-ND2 3.32Å; L441-N503 WeakPolarHBondContact CD2-ND2 3.41Å; L441-N503 WeakPolarHBondContact CG-ND2 3.23Å
442	N	50.9	Low	67.7	Low	154 Å²	154	60.7 Å²	60.7	82%	0.824	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-84.2	6.4	-174.7	-69.6	-9.2	0	0	0	114.1	P440	P440-N442 PolarHBondContact O-N 2.87Å
443	C	50.2	Low	65	Low	18 Å²	18	64.7 Å²	64.7	12%	0.122	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-121.8	0.3	-165.9	-53.7	0	0	0	0	115.4	P440 L441 N445 N448 Y570	P440-C443 HydrophobicContact CB-CB 4.38Å; P440-C443 WeakPolarHBondContact O-CB 3.32Å; P440-C443 PolarHBondContact O-N 3.43Å; L441-C443 VanDerWaalsContact C-N 3.26Å; L441-C443 PolarHBondContact O-N 2.81Å; C443-N445 PolarHBondContact O-N 2.97Å; C443-N448 PolarHBondContact O-ND2 2.91Å; C443-N448 VanDerWaalsContact O-ND2 3.13Å; C443-Y570 HydrophobicContact CB-CD2 4.48Å; C443-Y570 HydrophobicContact CB-CE2 3.39Å; C443-Y570 VanDerWaalsContact CB-OH 3.28Å; C443-Y570 WeakPolarHBondContact CB-OH 3.37Å; C443-Y570 PolarHBondContact SG-OH 2.99Å; C443-Y570 VanDerWaalsContact SG-OH 3.39Å
444	I	51.3	Low	62.2	Low	97 Å²	97	71.7 Å²	71.7	50%	0.497	41%	0.405	S	S	.	.			trans	-77.6	32.9	174.6	-44	176.6	0	0	0	111.2	P439	P439-I444 HydrophobicContact CB-CG1 4.37Å
445	N	47.1	Very low	59.3	Low	117 Å²	117	74.7 Å²	74.7	63%	0.626	43%	0.426	S	S	*	.	S	Bend	trans	-91.6	139.1	161.6	-73.2	-20.5	0	0	0	107.4	C443 S447 N448	C443-N445 PolarHBondContact O-N 2.97Å; N445-S447 PolarHBondContact O-N 2.83Å; N445-N448 PolarHBondContact O-N 3.5Å
446	S	48.9	Very low	56.3	Low	107 Å²	107	79.7 Å²	79.7	75%	0.748	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-53.3	-12.7	-169.5	-37	0	0	0	0	115.9	N448	S446-N448 VanDerWaalsContact C-N 3.33Å; S446-N448 PolarHBondContact O-N 3.43Å
447	S	49.1	Very low	53.1	Low	102 Å²	102	86.5 Å²	86.5	71%	0.713	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-71.6	-16.4	-179.3	57.7	0	0	0	0	115.4	N445	N445-S447 PolarHBondContact O-N 2.83Å
448	N	48.7	Very low	50.1	Low	42 Å²	42	91.9 Å²	91.9	23%	0.225	52%	0.521	C	S	.	.	G	3₁₀ helix	trans	-104.8	6.9	-178.4	-60.4	-39.6	0	0	0	114	C443 N445 S446 Y570 D571	C443-N448 PolarHBondContact O-ND2 2.91Å; C443-N448 VanDerWaalsContact O-ND2 3.13Å; N445-N448 PolarHBondContact O-N 3.5Å; S446-N448 VanDerWaalsContact C-N 3.33Å; S446-N448 PolarHBondContact O-N 3.43Å; N448-Y570 HydrophobicContact CB-CD2 3.99Å; N448-Y570 HydrophobicContact CB-CE2 3.64Å; N448-D571 PolarHBondContact O-N 3.04Å
449	I	54.5	Low	47.2	Very low	64 Å²	64	96.6 Å²	96.6	33%	0.328	55%	0.55	S	S	.	.	B	Isolated β-bridge	trans	-85.9	118.3	178.5	-61.2	179.5	0	0	0	107.2	T451 L566 F569	I449-T451 PolarHBondContact O-N 2.89Å; I449-L566 HydrophobicContact CD1-CD2 4.43Å; I449-F569 HydrophobicContact CG2-CB 3.62Å; I449-F569 HydrophobicContact CG2-CG 4.45Å
450	I	54.2	Low	44.8	Very low	70 Å²	70	99.4 Å²	99.4	36%	0.359	57%	0.574	S	S	.	*			trans	-64.5	110.2	173.6	-59.4	171.3	0	0	0	107.7	D452 F569 D571	I450-D452 PolarHBondContact O-N 3.25Å; I450-F569 PolarHBondContact N-O 2.91Å; I450-D571 HydrophobicContact CD1-CB 3.83Å; I450-D571 HydrophobicContact CG1-CB 3.86Å
451	T	49.3	Very low	42.8	Very low	103 Å²	103	104.4 Å²	104.4	63%	0.632	60%	0.599	S	S	*	*			trans	-74.5	112.2	166.8	53.4	0	0	0	0	107.8	I449 N453	I449-T451 PolarHBondContact O-N 2.89Å; T451-N453 PolarHBondContact O-N 2.94Å
452	D	42.4	Very low	41.4	Very low	86 Å²	86	104.9 Å²	104.9	46%	0.46	60%	0.601	S	S	.	*			trans	-63.6	98.9	171.6	-83.4	-29.4	0	0	0	108.8	R397 I450 N454	R397-D452 IonicContact CZ-OD2 3.91Å; R397-D452 IonicContact NH2-OD1 3.13Å; R397-D452 PolarHBondContact NH2-OD1 3.25Å; R397-D452 VanDerWaalsContact NH2-OD1 3.13Å; R397-D452 IonicContact NH2-OD2 2.84Å; R397-D452 PolarHBondContact NH2-OD2 2.94Å; I450-D452 PolarHBondContact O-N 3.25Å; D452-N454 PolarHBondContact O-N 3.21Å; D452-N454 VanDerWaalsContact O-N 3.12Å
453	N	39.5	Very low	40.8	Very low	147 Å²	147	104.4 Å²	104.4	79%	0.786	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	5.3	173.5	-75.4	-11.2	0	0	0	113	T451	T451-N453 PolarHBondContact O-N 2.94Å
454	N	38.1	Very low	40.2	Very low	163 Å²	163	107.8 Å²	107.8	87%	0.872	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	12.5	-178.4	-88.6	-0.6	0	0	0	114.2	D452	D452-N454 PolarHBondContact O-N 3.21Å; D452-N454 VanDerWaalsContact O-N 3.12Å
455	S	35.8	Very low	39.8	Very low	63 Å²	63	108.8 Å²	108.8	44%	0.441	63%	0.631	S	S	.	*			trans	-98	93.4	160	71	0	0	0	0	109	N457	S455-N457 PolarHBondContact O-N 3.36Å
456	D	30.3	Very low	39.9	Very low	158 Å²	158	104.9 Å²	104.9	85%	0.845	61%	0.613	S	S	*	*	S	Bend	trans	-41.3	114.5	147.7	-75.8	-42.8	0	0	0	107.8	V458	D456-V458 VanDerWaalsContact C-N 3.35Å; D456-V458 PolarHBondContact O-N 3.44Å
457	N	27.6	Very low	40.2	Very low	143 Å²	143	102.8 Å²	102.8	77%	0.765	60%	0.597	S	S	*	*			trans	26.3	65.6	163	-70.5	-28.2	0	0	0	114.9	S455 T459	S455-N457 PolarHBondContact O-N 3.36Å; N457-T459 PolarHBondContact O-N 3.26Å
458	V	29.2	Very low	40.5	Very low	112 Å²	112	100.9 Å²	100.9	68%	0.679	58%	0.578	S	S	*	*			trans	-75.6	68.9	151.6	-175.7	0	0	0	0	105.3	D456 A460	D456-V458 VanDerWaalsContact C-N 3.35Å; D456-V458 PolarHBondContact O-N 3.44Å; V458-A460 PolarHBondContact O-N 3.07Å
459	T	28.1	Very low	41	Very low	110 Å²	110	103.5 Å²	103.5	68%	0.675	59%	0.589	S	S	*	*			trans	-56.1	95.8	148.3	47.3	0	0	0	0	103.5	N457 N461	N457-T459 PolarHBondContact O-N 3.26Å; T459-N461 VanDerWaalsContact C-N 3.33Å; T459-N461 PolarHBondContact O-N 3.24Å
460	A	31.8	Very low	41.2	Very low	66 Å²	66	105.7 Å²	105.7	55%	0.545	60%	0.597	S	S	.	*			trans	-48.1	110.4	168.6	0	0	0	0	0	104.9	V458 L462	V458-A460 PolarHBondContact O-N 3.07Å; A460-L462 PolarHBondContact O-N 3.4Å
461	N	29.2	Very low	41.7	Very low	142 Å²	142	105.1 Å²	105.1	76%	0.759	59%	0.592	S	S	*	*			trans	-58.2	100.5	172.6	-125.6	-19.4	0	0	0	103.7	T459 N463	T459-N461 VanDerWaalsContact C-N 3.33Å; T459-N461 PolarHBondContact O-N 3.24Å; N461-N463 PolarHBondContact O-N 3.44Å
462	L	33.5	Very low	42.9	Very low	139 Å²	139	101.1 Å²	101.1	73%	0.728	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	15	-167.8	-103.4	123.4	0	0	0	113.4	A460	A460-L462 PolarHBondContact O-N 3.4Å
463	N	37.5	Very low	44.8	Very low	143 Å²	143	97.7 Å²	97.7	77%	0.765	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	4.1	-173.6	-69.8	-6.5	0	0	0	113.6	N461	N461-N463 PolarHBondContact O-N 3.44Å
464	D	38.6	Very low	47.1	Very low	89 Å²	89	93.1 Å²	93.1	48%	0.476	52%	0.521	S	S	.	.			trans	-87	113	169.5	-153.6	-9	0	0	0	110.8	S466	D464-S466 VanDerWaalsContact C-N 3.34Å; D464-S466 PolarHBondContact O-N 2.71Å
465	S	43.5	Very low	49.8	Very low	119 Å²	119	86 Å²	86	83%	0.832	48%	0.484	S	S	*	.			trans	-92.8	28.3	-148.7	57.2	0	0	0	0	114.5
466	S	48.2	Very low	52.7	Low	34 Å²	34	83 Å²	83	24%	0.238	46%	0.463	C	S	.	.			trans	-125.2	131.2	171.9	68.2	0	0	0	0	111.7	D464 I468 H469	D464-S466 VanDerWaalsContact C-N 3.34Å; D464-S466 PolarHBondContact O-N 2.71Å; S466-I468 PolarHBondContact O-N 2.86Å; S466-H469 PolarHBondContact O-N 3.4Å; S466-H469 PolarHBondContact OG-ND1 3.08Å
467	P	55.4	Low	55.9	Low	64 Å²	64	77.8 Å²	77.8	42%	0.416	43%	0.432	S	S	.	.	H	α-helix	trans	-55	-25.3	175.9	-24	31.8	0	0	0	113.4	K471 I528	P467-K471 PolarHBondContact O-N 3.19Å; P467-I528 HydrophobicContact CB-CD1 4.4Å; P467-I528 HydrophobicContact CB-CG2 4.25Å; P467-I528 HydrophobicContact CG-CD1 4.06Å
468	I	56.3	Low	59.3	Low	61 Å²	61	71.1 Å²	71.1	31%	0.313	40%	0.396	S	S	.	.	H	α-helix	trans	-69.4	-51.5	-179.8	-58.6	174.3	0	0	0	111.1	S466 Q470 K471 F472 F512	S466-I468 PolarHBondContact O-N 2.86Å; I468-Q470 PolarHBondContact O-N 3.3Å; I468-K471 PolarHBondContact O-N 3.5Å; I468-F472 HydrophobicContact CG2-CB 4.27Å; I468-F472 HydrophobicContact CG2-CD2 4.1Å; I468-F472 PolarHBondContact O-N 3.07Å; I468-F512 HydrophobicContact CD1-CE1 3.92Å; I468-F512 HydrophobicContact CG1-CE1 4.25Å; I468-F512 HydrophobicContact CG1-CZ 4.43Å
469	H	58.9	Low	62.6	Low	98 Å²	98	66.4 Å²	66.4	45%	0.454	37%	0.366	S	S	.	.	H	α-helix	trans	-67.1	-21.1	-177.6	-74.2	81.2	0	0	0	112.7	S466 K565	S466-H469 PolarHBondContact O-N 3.4Å; S466-H469 PolarHBondContact OG-ND1 3.08Å; H469-K565 WeakPolarHBondContact O-CE 3.28Å; H469-K565 PolarHBondContact O-NZ 2.87Å
470	Q	58.2	Low	66	Low	109 Å²	109	61.1 Å²	61.1	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-70.1	-41.6	171.1	-68.6	-178.5	-5.7	0	0	111.5	I468 K565	I468-Q470 PolarHBondContact O-N 3.3Å; Q470-K565 WeakPolarHBondContact O-CD 3.25Å; Q470-K565 WeakPolarHBondContact O-CE 3.48Å; Q470-K565 PolarHBondContact O-NZ 3.07Å
471	K	64.8	Low	69.1	Low	58 Å²	58	58.1 Å²	58.1	25%	0.252	31%	0.308	S	S	.	.	H	α-helix	trans	-95.6	-26.3	-172.9	-70.8	-178.7	173.8	-178.2	0	115.5	P467 I468 I528 N532 K565	P467-K471 PolarHBondContact O-N 3.19Å; I468-K471 PolarHBondContact O-N 3.5Å; K471-I528 PolarHBondContact NZ-O 3.27Å; K471-N532 WeakPolarHBondContact CE-OD1 3.46Å; K471-N532 PolarHBondContact NZ-OD1 3.29Å; K471-K565 WeakPolarHBondContact O-CB 3.25Å; K471-K565 WeakPolarHBondContact O-CG 3.13Å; K471-K565 PolarHBondContact O-N 2.86Å
472	F	74	Confident	72.3	Confident	19 Å²	19	51.4 Å²	51.4	8%	0.083	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-127.5	150.5	-173.8	-59	-88.1	0	0	0	110	I468 F536 Y562 L563 P564 K565	I468-F472 HydrophobicContact CG2-CB 4.27Å; I468-F472 HydrophobicContact CG2-CD2 4.1Å; I468-F472 PolarHBondContact O-N 3.07Å; F472-F536 HydrophobicContact CD1-CE1 4.17Å; F472-F536 HydrophobicContact CD2-CE1 4.11Å; F472-F536 HydrophobicContact CE1-CD1 4.02Å; F472-F536 AromaticContact CE1-CE1 3.79Å; F472-F536 HydrophobicContact CE1-CE1 3.79Å; F472-F536 HydrophobicContact CE2-CD1 4.41Å; F472-F536 AromaticContact CE2-CE1 3.73Å; F472-F536 HydrophobicContact CE2-CE1 3.73Å; F472-F536 HydrophobicContact CG-CE1 4.34Å; F472-F536 AromaticContact CZ-CD1 3.85Å; F472-F536 HydrophobicContact CZ-CD1 3.85Å; F472-F536 AromaticContact CZ-CE1 3.58Å; F472-F536 HydrophobicContact CZ-CE1 3.58Å; F472-Y562 HydrophobicContact CB-CD1 4.36Å; F472-L563 VanDerWaalsContact CD1-C 3.4Å; F472-L563 VanDerWaalsContact CD1-O 3.26Å; F472-L563 WeakPolarHBondContact CD1-O 3.43Å; F472-P564 HydrophobicContact CE1-CB 4.42Å; F472-P564 HydrophobicContact CE1-CG 3.98Å; F472-K565 VanDerWaalsContact O-CE 3.24Å; F472-K565 WeakPolarHBondContact O-CE 3.29Å
473	I	81.7	Confident	75.2	Confident	14 Å²	14	46.4 Å²	46.4	7%	0.072	25%	0.245	C	C	.	.			trans	-94.4	-175.5	164.4	55.3	163.4	0	0	0	109.9	Y396 K565 L568	Y396-I473 HydrophobicContact CD1-CD1 4Å; Y396-I473 HydrophobicContact CD2-CD1 3.99Å; Y396-I473 HydrophobicContact CE1-CD1 3.5Å; Y396-I473 HydrophobicContact CE1-CG1 4.07Å; Y396-I473 HydrophobicContact CE2-CD1 3.49Å; Y396-I473 VanDerWaalsContact CE2-CD1 3.49Å; Y396-I473 HydrophobicContact CE2-CG1 4.14Å; Y396-I473 HydrophobicContact CG-CD1 4.24Å; Y396-I473 WeakPolarHBondContact OH-CG1 3.14Å; I473-K565 HydrophobicContact CG2-CD 4.32Å; I473-K565 HydrophobicContact CG2-CG 4.02Å; I473-L568 HydrophobicContact CD1-CD1 3.42Å; I473-L568 VanDerWaalsContact CD1-CD1 3.42Å; I473-L568 HydrophobicContact CG1-CD1 3.78Å
474	K	88.9	Confident	77.8	Confident	51 Å²	51	40.5 Å²	40.5	22%	0.222	21%	0.213	C	C	.	.	S	Bend	trans	-52.7	135.9	176.8	-61.2	-179.4	-171.8	179.4	0	110.8	Y396 D403 I417 F420	Y396-K474 VanDerWaalsContact CE2-O 3.28Å; Y396-K474 WeakPolarHBondContact CE2-O 3.33Å; Y396-K474 PolarHBondContact OH-O 3.25Å; D403-K474 IonicContact OD1-NZ 3.81Å; I417-K474 PolarHBondContact O-NZ 3.45Å; F420-K474 HydrophobicContact CD2-CB 4.46Å
475	P	93.8	Very high	80.4	Confident	14 Å²	14	42.7 Å²	42.7	9%	0.091	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-65.8	156.9	-173.1	28.5	-37.2	0	0	0	113.6	Y477 E560 Y562	P475-Y477 HydrophobicContact CG-CE2 3.97Å; P475-E560 HydrophobicContact CB-CB 4.01Å; P475-E560 HydrophobicContact CB-CG 4.42Å; P475-E560 HydrophobicContact CG-CB 4.45Å; P475-E560 HydrophobicContact CG-CG 4.38Å; P475-Y562 HydrophobicContact CB-CD1 4.14Å; P475-Y562 HydrophobicContact CB-CD2 4.09Å; P475-Y562 HydrophobicContact CB-CE1 3.82Å; P475-Y562 HydrophobicContact CB-CE2 3.74Å; P475-Y562 HydrophobicContact CB-CG 4.27Å; P475-Y562 HydrophobicContact CG-CE1 4.01Å; P475-Y562 HydrophobicContact CG-CE2 4.26Å
476	L	97.3	Very high	82.5	Confident	0 Å²	0	42 Å²	42	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	119.9	165.4	-66.5	174.1	0	0	0	109.5	Y327 L392 Y396 F420 V422 F437 I478 L561 L563	Y327-L476 HydrophobicContact CE2-CD2 4.45Å; L392-L476 HydrophobicContact CD2-CD1 4.47Å; Y396-L476 HydrophobicContact CD1-CD1 4.36Å; Y396-L476 HydrophobicContact CD1-CD2 4.18Å; Y396-L476 HydrophobicContact CD1-CG 4.42Å; Y396-L476 HydrophobicContact CD2-CD2 3.62Å; Y396-L476 HydrophobicContact CD2-CG 4.42Å; Y396-L476 HydrophobicContact CE1-CD1 4.09Å; Y396-L476 HydrophobicContact CE1-CD2 4.15Å; Y396-L476 HydrophobicContact CE1-CG 3.98Å; Y396-L476 HydrophobicContact CE2-CD2 3.59Å; Y396-L476 HydrophobicContact CE2-CG 3.98Å; Y396-L476 HydrophobicContact CG-CD2 3.9Å; F420-L476 HydrophobicContact CB-CD2 3.73Å; V422-L476 HydrophobicContact CG2-CB 4.3Å; V422-L476 HydrophobicContact CG2-CD1 4.45Å; V422-L476 HydrophobicContact CG2-CD2 4.13Å; F437-L476 HydrophobicContact CD1-CD1 3.87Å; F437-L476 HydrophobicContact CE1-CD1 3.61Å; L476-I478 HydrophobicContact CB-CD1 3.73Å; L476-I478 HydrophobicContact CB-CG1 4.49Å; L476-I478 PolarHBondContact O-N 2.94Å; L476-L561 HydrophobicContact CB-CB 4.37Å; L476-L561 PolarHBondContact N-O 3.03Å; L476-L561 PolarHBondContact O-N 3.35Å; L476-L563 HydrophobicContact CD1-CD1 3.76Å
477	Y	98.3	Very high	84.4	Confident	49 Å²	49	47.9 Å²	47.9	19%	0.192	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	104.1	174.2	-65.8	-90.1	0	0	0	109.5	R419 F420 V421 V422 P475 E560	R419-Y477 HydrophobicContact CG-CD2 3.64Å; R419-Y477 HydrophobicContact CG-CE2 3.77Å; R419-Y477 HydrophobicContact CG-CG 4.46Å; R419-Y477 VanDerWaalsContact CZ-CD1 3.42Å; R419-Y477 VanDerWaalsContact NH2-CG 3.28Å; F420-Y477 WeakPolarHBondContact O-CD2 3.27Å; F420-Y477 PolarHBondContact O-N 2.8Å; V421-Y477 CarbonylContact C-O 3.48Å; V421-Y477 WeakPolarHBondContact CA-O 3.35Å; V422-Y477 PolarHBondContact N-O 3.49Å; P475-Y477 HydrophobicContact CG-CE2 3.97Å; Y477-E560 HydrophobicContact CD1-CG 3.56Å; Y477-E560 HydrophobicContact CE1-CG 3.32Å; Y477-E560 WeakPolarHBondContact CE1-OE1 3.5Å; Y477-E560 HydrophobicContact CG-CG 4.48Å
478	I	98.6	Very high	85.9	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.1	-173.1	-49.9	-58.9	0	0	0	110.5	V422 M424 L476 C480 E558 F559 L561	V422-I478 HydrophobicContact CB-CD1 3.54Å; V422-I478 HydrophobicContact CG1-CD1 4.33Å; V422-I478 HydrophobicContact CG2-CD1 3.53Å; V422-I478 CarbonylContact O-C 3.54Å; V422-I478 WeakPolarHBondContact O-CA 3.28Å; M424-I478 HydrophobicContact CE-CG2 4.18Å; L476-I478 HydrophobicContact CB-CD1 3.73Å; L476-I478 HydrophobicContact CB-CG1 4.49Å; L476-I478 PolarHBondContact O-N 2.94Å; I478-C480 HydrophobicContact CG2-CB 3.85Å; I478-E558 VanDerWaalsContact O-CA 3.31Å; I478-E558 WeakPolarHBondContact O-CA 3.38Å; I478-F559 HydrophobicContact CB-CD1 4.48Å; I478-F559 HydrophobicContact CB-CD2 4.01Å; I478-F559 HydrophobicContact CB-CE1 4.18Å; I478-F559 HydrophobicContact CB-CE2 3.7Å; I478-F559 HydrophobicContact CB-CG 4.41Å; I478-F559 HydrophobicContact CB-CZ 3.78Å; I478-F559 HydrophobicContact CG1-CD2 4Å; I478-F559 HydrophobicContact CG1-CE2 3.56Å; I478-F559 HydrophobicContact CG1-CZ 4.05Å; I478-F559 HydrophobicContact CG2-CE1 4.1Å; I478-F559 HydrophobicContact CG2-CE2 4.14Å; I478-F559 HydrophobicContact CG2-CZ 3.73Å; I478-F559 PolarHBondContact N-O 3.1Å; I478-F559 PolarHBondContact O-N 3.25Å; I478-F559 VanDerWaalsContact O-N 3.14Å; I478-L561 HydrophobicContact CD1-CB 4.43Å; I478-L561 HydrophobicContact CD1-CD2 4.47Å; I478-L561 HydrophobicContact CG1-CB 3.88Å; I478-L561 HydrophobicContact CG1-CD2 4.4Å
479	Y	98.7	Very high	87.5	Confident	13 Å²	13	50 Å²	50	5%	0.051	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	91.1	162.1	-68.3	-88.7	0	0	0	108.6	V299 S302 V421 V422 I423 M424 E558	V299-Y479 HydrophobicContact CG1-CD1 4.42Å; V299-Y479 HydrophobicContact CG1-CD2 4.23Å; V299-Y479 HydrophobicContact CG1-CE1 4.48Å; V299-Y479 HydrophobicContact CG1-CE2 4.27Å; V299-Y479 HydrophobicContact CG1-CG 4.32Å; V299-Y479 HydrophobicContact CG2-CD1 4.03Å; V299-Y479 HydrophobicContact CG2-CE1 4.23Å; S302-Y479 VanDerWaalsContact CB-OH 3.3Å; S302-Y479 WeakPolarHBondContact CB-OH 3.4Å; V421-Y479 HydrophobicContact CG1-CD2 3.62Å; V421-Y479 HydrophobicContact CG1-CE2 3.61Å; V422-Y479 PolarHBondContact O-N 2.97Å; I423-Y479 HydrophobicContact CG1-CD2 4.34Å; M424-Y479 PolarHBondContact N-O 3.4Å; Y479-E558 HydrophobicContact CD1-CG 3.68Å; Y479-E558 HydrophobicContact CE1-CG 3.9Å; Y479-E558 WeakPolarHBondContact CE1-OE2 3.33Å
480	C	98.4	Very high	89	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	105.7	-178.2	-175.8	0	0	0	0	110.1	M424 I478 A557 F559	M424-C480 HydrophobicContact CE-CB 3.72Å; M424-C480 WeakPolarHBondContact CE-SG 3.39Å; I478-C480 HydrophobicContact CG2-CB 3.85Å; C480-A557 HydrophobicContact CB-CB 4.34Å; C480-A557 PolarHBondContact N-O 3.12Å; C480-A557 PolarHBondContact O-N 3.42Å; C480-F559 HydrophobicContact CB-CE1 4.17Å
481	Y	97.8	Very high	90.7	Very high	2 Å²	2	46 Å²	46	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	142.1	178.4	-69.8	-93.7	0	0	0	111.2	E295 V299 F336 I423 M424 N425 P427 A430 V545 M554 Y555 C556	E295-Y481 HydrophobicContact CG-CE1 3.78Å; E295-Y481 WeakPolarHBondContact CG-OH 3.39Å; E295-Y481 PolarHBondContact OE1-OH 3.03Å; V299-Y481 VanDerWaalsContact CG2-OH 3.28Å; V299-Y481 WeakPolarHBondContact CG2-OH 3.21Å; F336-Y481 HydrophobicContact CZ-CE2 4.29Å; I423-Y481 HydrophobicContact CG2-CE2 4.47Å; M424-Y481 WeakPolarHBondContact O-CD2 3.2Å; M424-Y481 PolarHBondContact O-N 3.35Å; N425-Y481 HydrophobicContact CB-CD2 4Å; N425-Y481 HydrophobicContact CB-CE2 4.24Å; P427-Y481 VanDerWaalsContact CA-O 3.31Å; P427-Y481 WeakPolarHBondContact CA-O 3.34Å; A430-Y481 VanDerWaalsContact CB-O 3.27Å; A430-Y481 WeakPolarHBondContact CB-O 3.39Å; Y481-V545 HydrophobicContact CD1-CG2 4.02Å; Y481-V545 HydrophobicContact CE1-CG2 3.85Å; Y481-M554 HydrophobicContact CD1-CE 3.22Å; Y481-M554 HydrophobicContact CE1-CE 3.83Å; Y481-M554 HydrophobicContact CG-CE 3.84Å; Y481-Y555 WeakPolarHBondContact CA-O 3.36Å; Y481-C556 HydrophobicContact CD1-CB 3.83Å; Y481-C556 HydrophobicContact CE1-CB 3.76Å; Y481-C556 HydrophobicContact CG-CB 4.44Å
482	C	96.2	Very high	92	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.5	175.6	58.7	0	0	0	0	112.6	P427 I431 Y555	P427-C482 CarbonylContact O-C 3.58Å; P427-C482 VanDerWaalsContact O-CA 3.24Å; P427-C482 WeakPolarHBondContact O-CA 3.27Å; I431-C482 HydrophobicContact CD1-CB 3.67Å; I431-C482 HydrophobicContact CG1-CB 4.13Å; C482-Y555 PolarHBondContact N-O 2.89Å; C482-Y555 PolarHBondContact O-N 3.29Å
483	F	94.4	Very high	92.9	Very high	34 Å²	34	50.1 Å²	50.1	15%	0.149	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	145.2	167.4	-64.3	-50	0	0	0	111.2	P427 Q428 V548 K552 D553 M554	P427-F483 HydrophobicContact CB-CD1 3.93Å; P427-F483 HydrophobicContact CB-CD2 4.05Å; P427-F483 HydrophobicContact CB-CE1 3.77Å; P427-F483 HydrophobicContact CB-CE2 3.94Å; P427-F483 HydrophobicContact CB-CG 4.05Å; P427-F483 HydrophobicContact CB-CZ 3.79Å; P427-F483 HydrophobicContact CG-CE1 4.11Å; P427-F483 HydrophobicContact CG-CE2 4.49Å; P427-F483 HydrophobicContact CG-CZ 4Å; P427-F483 PolarHBondContact O-N 3.36Å; Q428-F483 HydrophobicContact CB-CD2 4.21Å; Q428-F483 HydrophobicContact CB-CE2 4.13Å; F483-V548 HydrophobicContact CD1-CG2 3.98Å; F483-V548 HydrophobicContact CE1-CB 4.42Å; F483-V548 HydrophobicContact CE1-CG1 4.01Å; F483-V548 HydrophobicContact CE1-CG2 3.96Å; F483-K552 HydrophobicContact CB-CG 4.45Å; F483-D553 VanDerWaalsContact CA-O 3.31Å; F483-D553 WeakPolarHBondContact CA-O 3.17Å; F483-M554 HydrophobicContact CD1-CB 4.08Å; F483-M554 HydrophobicContact CD1-CG 4.46Å; F483-M554 HydrophobicContact CE1-CB 4.13Å; F483-M554 HydrophobicContact CE1-CG 4.33Å; F483-M554 HydrophobicContact CE1-SD 4.41Å
484	M	92.2	Very high	93.5	Very high	19 Å²	19	49.4 Å²	49.4	9%	0.094	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.7	172.1	-169.5	-177.5	80.4	0	0	109.4	E489 Y542 D553 Y555	M484-E489 HydrophobicContact CG-CB 3.93Å; M484-Y542 HydrophobicContact SD-CE1 3.89Å; M484-D553 PolarHBondContact N-O 2.89Å; M484-D553 PolarHBondContact O-N 3.47Å; M484-Y555 HydrophobicContact CB-CD2 3.95Å; M484-Y555 HydrophobicContact CB-CE2 4.12Å; M484-Y555 HydrophobicContact CE-CD2 4.41Å; M484-Y555 HydrophobicContact CE-CE2 3.51Å; M484-Y555 WeakPolarHBondContact CE-OH 3.43Å; M484-Y555 HydrophobicContact SD-CD2 4.46Å; M484-Y555 HydrophobicContact SD-CE2 4.06Å
485	R	92.5	Very high	93.7	Very high	136 Å²	136	48.9 Å²	48.9	51%	0.513	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	114.9	172.1	-62.8	-178.7	-173.5	-171.8	1.5	109.7	I488 E489 F551	R485-I488 HydrophobicContact CB-CB 4.02Å; R485-I488 HydrophobicContact CB-CD1 4.16Å; R485-I488 HydrophobicContact CB-CG1 4.48Å; R485-I488 PolarHBondContact O-N 2.85Å; R485-E489 PolarHBondContact N-OE2 3.18Å; R485-E489 PolarHBondContact O-N 3.2Å; R485-F551 CarbonylContact C-O 3.53Å; R485-F551 WeakPolarHBondContact CA-O 3.38Å
486	R	87.2	Confident	93.7	Very high	103 Å²	103	52.4 Å²	52.4	39%	0.389	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	142.7	177.4	-65.8	-171.6	-175	170.2	3	110.5	I488 F551 D553	R486-I488 PolarHBondContact O-N 2.8Å; R486-I488 VanDerWaalsContact O-N 3.08Å; R486-F551 HydrophobicContact CB-CB 4.26Å; R486-F551 PolarHBondContact N-O 3.14Å; R486-D553 IonicContact CZ-OD1 3.43Å; R486-D553 IonicContact CZ-OD2 3.64Å; R486-D553 VanDerWaalsContact CZ-OD2 3.25Å; R486-D553 IonicContact NE-OD1 3.4Å; R486-D553 IonicContact NE-OD2 3.51Å; R486-D553 PolarHBondContact NE-OD2 3.1Å; R486-D553 VanDerWaalsContact NH2-CG 3.32Å; R486-D553 IonicContact NH2-OD1 3.87Å; R486-D553 PolarHBondContact NH2-OD1 2.84Å; R486-D553 IonicContact NH2-OD2 2.86Å; R486-D553 PolarHBondContact NH2-OD2 2.82Å
487	N	88	Confident	93.6	Very high	158 Å²	158	55.9 Å²	55.9	85%	0.845	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	6.1	179.2	-49.4	-23.4	0	0	0	115.2
488	I	88.5	Confident	93.4	Very high	124 Å²	124	53.5 Å²	53.5	64%	0.636	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-48.2	177.8	-59.3	176.1	0	0	0	109.5	R485 R486	R485-I488 HydrophobicContact CB-CB 4.02Å; R485-I488 HydrophobicContact CB-CD1 4.16Å; R485-I488 HydrophobicContact CB-CG1 4.48Å; R485-I488 PolarHBondContact O-N 2.85Å; R486-I488 PolarHBondContact O-N 2.8Å; R486-I488 VanDerWaalsContact O-N 3.08Å
489	E	88.5	Confident	93.2	Very high	46 Å²	46	53.6 Å²	53.6	22%	0.215	25%	0.254	C	S	.	.			trans	-110.2	144.8	179.1	-65.7	175	117.5	0	0	110.5	M484 R485 R497	M484-E489 HydrophobicContact CG-CB 3.93Å; R485-E489 PolarHBondContact N-OE2 3.18Å; R485-E489 PolarHBondContact O-N 3.2Å; E489-R497 IonicContact OE1-NH1 3.17Å; E489-R497 PolarHBondContact OE1-NH1 3.22Å
490	S	91.4	Very high	92.9	Very high	51 Å²	51	61.4 Å²	61.4	36%	0.357	29%	0.288	S	S	.	.			trans	-117.1	168.6	170.9	67.9	0	0	0	0	110.8	E492 N493 I494	S490-E492 PolarHBondContact O-N 3.31Å; S490-E492 PolarHBondContact OG-N 3.1Å; S490-N493 PolarHBondContact N-OD1 3.39Å; S490-N493 WeakPolarHBondContact O-CB 3.21Å; S490-N493 PolarHBondContact O-N 2.83Å; S490-N493 VanDerWaalsContact O-N 3.08Å; S490-N493 PolarHBondContact OG-N 2.75Å; S490-N493 PolarHBondContact OG-OD1 2.8Å; S490-I494 PolarHBondContact O-N 2.88Å
491	E	93.2	Very high	92.7	Very high	72 Å²	72	62.1 Å²	62.1	34%	0.336	29%	0.294	S	S	.	.	H	α-helix	trans	-54.1	-35.9	170.7	-178.3	179	153.2	0	0	111.7	N493 I494 K495 W540 Y542	E491-N493 VanDerWaalsContact C-N 3.34Å; E491-N493 PolarHBondContact O-N 3.07Å; E491-I494 WeakPolarHBondContact O-CA 3.39Å; E491-I494 WeakPolarHBondContact O-CB 3.35Å; E491-I494 PolarHBondContact O-N 2.98Å; E491-I494 VanDerWaalsContact O-N 3.07Å; E491-K495 WeakPolarHBondContact O-CG 3.43Å; E491-K495 PolarHBondContact O-N 3.31Å; E491-K495 VanDerWaalsContact OE1-CE 3.27Å; E491-K495 WeakPolarHBondContact OE1-CE 3.3Å; E491-K495 IonicContact OE1-NZ 3.36Å; E491-K495 PolarHBondContact OE1-NZ 3.48Å; E491-W540 HydrophobicContact CG-CZ2 4.3Å; E491-W540 PolarHBondContact OE1-NE1 3.24Å; E491-Y542 HydrophobicContact CB-CD1 3.78Å; E491-Y542 HydrophobicContact CB-CE1 4.12Å; E491-Y542 HydrophobicContact CG-CD1 3.58Å; E491-Y542 HydrophobicContact CG-CE1 4.3Å; E491-Y542 HydrophobicContact CG-CG 3.91Å
492	E	92.9	Very high	92.5	Very high	95 Å²	95	62 Å²	62	44%	0.444	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-39.3	178.2	-163.1	60.3	-159.1	0	0	111.9	S490 I494 K495 I496 I506	S490-E492 PolarHBondContact O-N 3.31Å; S490-E492 PolarHBondContact OG-N 3.1Å; E492-I494 VanDerWaalsContact C-N 3.26Å; E492-I494 PolarHBondContact O-N 2.88Å; E492-K495 PolarHBondContact O-N 3.32Å; E492-I496 VanDerWaalsContact O-CG1 3.31Å; E492-I496 WeakPolarHBondContact O-CG1 3.25Å; E492-I496 PolarHBondContact O-N 3.13Å; E492-I506 WeakPolarHBondContact OE1-CD1 3.42Å
493	N	92.9	Very high	92.2	Very high	68 Å²	68	66 Å²	66	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-34.9	173.8	-58.7	108.6	0	0	0	111.7	S490 E491 I496 R497	S490-N493 PolarHBondContact N-OD1 3.39Å; S490-N493 WeakPolarHBondContact O-CB 3.21Å; S490-N493 PolarHBondContact O-N 2.83Å; S490-N493 VanDerWaalsContact O-N 3.08Å; S490-N493 PolarHBondContact OG-N 2.75Å; S490-N493 PolarHBondContact OG-OD1 2.8Å; E491-N493 VanDerWaalsContact C-N 3.34Å; E491-N493 PolarHBondContact O-N 3.07Å; N493-I496 PolarHBondContact O-N 3.07Å; N493-R497 WeakPolarHBondContact O-CG 3.3Å; N493-R497 PolarHBondContact O-N 3.47Å; N493-R497 VanDerWaalsContact O-N 3.08Å
494	I	92.9	Very high	91.9	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68.3	-42.9	175.8	-61.6	-61	0	0	0	111	I431 S490 E491 E492 I496 R497 L498 W540 Y542	I431-I494 HydrophobicContact CD1-CD1 4.24Å; I431-I494 HydrophobicContact CD1-CG2 3.89Å; S490-I494 PolarHBondContact O-N 2.88Å; E491-I494 WeakPolarHBondContact O-CA 3.39Å; E491-I494 WeakPolarHBondContact O-CB 3.35Å; E491-I494 PolarHBondContact O-N 2.98Å; E491-I494 VanDerWaalsContact O-N 3.07Å; E492-I494 VanDerWaalsContact C-N 3.26Å; E492-I494 PolarHBondContact O-N 2.88Å; I494-I496 VanDerWaalsContact C-N 3.33Å; I494-I496 PolarHBondContact O-N 3.36Å; I494-R497 PolarHBondContact O-N 3.15Å; I494-L498 HydrophobicContact CG2-CD1 4.04Å; I494-L498 WeakPolarHBondContact O-CG 3.31Å; I494-L498 PolarHBondContact O-N 2.7Å; I494-W540 HydrophobicContact CG2-CH2 4.36Å; I494-Y542 HydrophobicContact CG1-CE2 4.35Å; I494-Y542 HydrophobicContact CG2-CE2 4.02Å
495	K	95	Very high	91.7	Very high	39 Å²	39	67.8 Å²	67.8	17%	0.17	33%	0.327	C	S	.	.	H	α-helix	trans	-59.8	-41.2	174.1	-68.1	-177	-179.6	167.5	0	112.4	E491 E492 L498 A499 I506 F510 W540	E491-K495 WeakPolarHBondContact O-CG 3.43Å; E491-K495 PolarHBondContact O-N 3.31Å; E491-K495 VanDerWaalsContact OE1-CE 3.27Å; E491-K495 WeakPolarHBondContact OE1-CE 3.3Å; E491-K495 IonicContact OE1-NZ 3.36Å; E491-K495 PolarHBondContact OE1-NZ 3.48Å; E492-K495 PolarHBondContact O-N 3.32Å; K495-L498 WeakPolarHBondContact O-CB 3.35Å; K495-L498 PolarHBondContact O-N 2.93Å; K495-A499 WeakPolarHBondContact O-CB 3.44Å; K495-A499 PolarHBondContact O-N 3.48Å; K495-I506 HydrophobicContact CB-CD1 3.74Å; K495-I506 HydrophobicContact CB-CG1 4.41Å; K495-F510 HydrophobicContact CB-CE2 3.72Å; K495-F510 HydrophobicContact CB-CZ 3.85Å; K495-F510 HydrophobicContact CD-CE1 4.08Å; K495-F510 HydrophobicContact CD-CE2 4.11Å; K495-F510 HydrophobicContact CD-CZ 3.86Å; K495-F510 HydrophobicContact CG-CE1 4.16Å; K495-F510 HydrophobicContact CG-CE2 3.89Å; K495-F510 HydrophobicContact CG-CZ 3.53Å; K495-W540 HydrophobicContact CG-CH2 4.41Å; K495-W540 HydrophobicContact CG-CZ2 3.92Å
496	I	94	Very high	91.6	Very high	88 Å²	88	63.6 Å²	63.6	45%	0.451	31%	0.314	S	S	.	.	H	α-helix	trans	-62.5	-43.8	175.3	-67.5	166.1	0	0	0	111.1	E492 N493 I494 L498 A499 K500 I506	E492-I496 VanDerWaalsContact O-CG1 3.31Å; E492-I496 WeakPolarHBondContact O-CG1 3.25Å; E492-I496 PolarHBondContact O-N 3.13Å; N493-I496 PolarHBondContact O-N 3.07Å; I494-I496 VanDerWaalsContact C-N 3.33Å; I494-I496 PolarHBondContact O-N 3.36Å; I496-L498 VanDerWaalsContact C-N 3.33Å; I496-L498 PolarHBondContact O-N 2.91Å; I496-A499 PolarHBondContact O-N 2.79Å; I496-K500 WeakPolarHBondContact O-CB 3.23Å; I496-K500 PolarHBondContact O-N 3.05Å; I496-I506 HydrophobicContact CG1-CD1 3.93Å
497	R	94.1	Very high	91.5	Very high	73 Å²	73	61.7 Å²	61.7	28%	0.275	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-39.5	177	-72.3	174.5	62.6	-171.5	-3.4	112	I431 D432 E489 N493 I494 K500 A501	I431-R497 HydrophobicContact CG2-CB 4.02Å; D432-R497 IonicContact OD1-NH2 3.72Å; E489-R497 IonicContact OE1-NH1 3.17Å; E489-R497 PolarHBondContact OE1-NH1 3.22Å; N493-R497 WeakPolarHBondContact O-CG 3.3Å; N493-R497 PolarHBondContact O-N 3.47Å; N493-R497 VanDerWaalsContact O-N 3.08Å; I494-R497 PolarHBondContact O-N 3.15Å; R497-K500 PolarHBondContact O-N 3.14Å; R497-A501 WeakPolarHBondContact O-CB 3.24Å; R497-A501 PolarHBondContact O-N 3.25Å
498	L	94.9	Very high	91.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-49.4	174.6	-79.4	161.6	0	0	0	112.2	I431 L434 I494 K495 I496 K500 A501 L502 L509 W540 F559	I431-L498 HydrophobicContact CG1-CD2 4.41Å; I431-L498 HydrophobicContact CG2-CD2 4.11Å; I431-L498 HydrophobicContact CG2-CG 4.13Å; L434-L498 HydrophobicContact CD1-CD2 3.1Å; L434-L498 HydrophobicContact CD1-CG 4.48Å; I494-L498 HydrophobicContact CG2-CD1 4.04Å; I494-L498 WeakPolarHBondContact O-CG 3.31Å; I494-L498 PolarHBondContact O-N 2.7Å; K495-L498 WeakPolarHBondContact O-CB 3.35Å; K495-L498 PolarHBondContact O-N 2.93Å; I496-L498 VanDerWaalsContact C-N 3.33Å; I496-L498 PolarHBondContact O-N 2.91Å; L498-K500 VanDerWaalsContact C-N 3.3Å; L498-K500 PolarHBondContact O-N 3.19Å; L498-A501 PolarHBondContact O-N 3.41Å; L498-L502 WeakPolarHBondContact O-CB 3.28Å; L498-L502 PolarHBondContact O-N 2.93Å; L498-L509 HydrophobicContact CB-CD2 4.48Å; L498-W540 HydrophobicContact CD1-CE3 4.5Å; L498-W540 HydrophobicContact CD1-CH2 3.18Å; L498-W540 HydrophobicContact CD1-CZ2 4.39Å; L498-W540 HydrophobicContact CD1-CZ3 3.25Å; L498-F559 HydrophobicContact CD2-CE1 4.09Å; L498-F559 HydrophobicContact CD2-CZ 4.03Å
499	A	93.7	Very high	91.4	Very high	3 Å²	3	51 Å²	51	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-45.3	176.5	0	0	0	0	0	111.4	K495 I496 A501 L502 N503 T504 I506 L509	K495-A499 WeakPolarHBondContact O-CB 3.44Å; K495-A499 PolarHBondContact O-N 3.48Å; I496-A499 PolarHBondContact O-N 2.79Å; A499-A501 PolarHBondContact O-N 2.82Å; A499-L502 CarbonylContact O-C 3.26Å; A499-L502 PolarHBondContact O-N 3.4Å; A499-N503 PolarHBondContact O-N 3.31Å; A499-T504 CarbonylContact C-O 3.58Å; A499-T504 VanDerWaalsContact C-O 3.26Å; A499-T504 WeakPolarHBondContact CB-O 3.47Å; A499-T504 PolarHBondContact O-N 3.49Å; A499-I506 HydrophobicContact CB-CB 4.38Å; A499-L509 HydrophobicContact CB-CD2 3.84Å
500	K	93	Very high	91.4	Very high	178 Å²	178	50.7 Å²	50.7	77%	0.774	26%	0.256	S	S	*	.	H	α-helix	trans	-61.2	-44.9	175.5	-173.2	179.4	178.9	-177.2	0	112.5	I496 R497 L498 L502 N503	I496-K500 WeakPolarHBondContact O-CB 3.23Å; I496-K500 PolarHBondContact O-N 3.05Å; R497-K500 PolarHBondContact O-N 3.14Å; L498-K500 VanDerWaalsContact C-N 3.3Å; L498-K500 PolarHBondContact O-N 3.19Å; K500-L502 VanDerWaalsContact C-N 3.32Å; K500-L502 PolarHBondContact O-N 2.92Å; K500-N503 PolarHBondContact O-N 3.08Å; K500-N503 VanDerWaalsContact O-N 3.13Å
501	A	93.9	Very high	90.5	Very high	15 Å²	15	54.3 Å²	54.3	12%	0.124	27%	0.268	C	S	.	.	H	α-helix	trans	-65.6	-36.6	179.4	0	0	0	0	0	112.1	I431 L434 D435 R497 L498 A499 N503	I431-A501 HydrophobicContact CG2-CB 4.25Å; I431-A501 VanDerWaalsContact O-CB 3.23Å; I431-A501 WeakPolarHBondContact O-CB 3.44Å; L434-A501 HydrophobicContact CB-CB 3.98Å; D435-A501 WeakPolarHBondContact CA-O 3.49Å; D435-A501 PolarHBondContact N-O 3.08Å; R497-A501 WeakPolarHBondContact O-CB 3.24Å; R497-A501 PolarHBondContact O-N 3.25Å; L498-A501 PolarHBondContact O-N 3.41Å; A499-A501 PolarHBondContact O-N 2.82Å; A501-N503 PolarHBondContact O-N 2.96Å
502	L	93	Very high	88.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	6.4	174.5	-69.9	170.8	0	0	0	113.6	L434 F437 V438 L498 A499 K500 T504 L509 I537 L561	L434-L502 HydrophobicContact CB-CD2 3.99Å; L434-L502 HydrophobicContact CB-CG 4.17Å; F437-L502 HydrophobicContact CB-CD2 4.46Å; V438-L502 HydrophobicContact CG2-CD2 4.37Å; V438-L502 WeakPolarHBondContact CG2-O 3.31Å; L498-L502 WeakPolarHBondContact O-CB 3.28Å; L498-L502 PolarHBondContact O-N 2.93Å; A499-L502 CarbonylContact O-C 3.26Å; A499-L502 PolarHBondContact O-N 3.4Å; K500-L502 VanDerWaalsContact C-N 3.32Å; K500-L502 PolarHBondContact O-N 2.92Å; L502-T504 VanDerWaalsContact C-N 3.27Å; L502-T504 HydrophobicContact CB-CG2 4.02Å; L502-T504 PolarHBondContact O-N 3.48Å; L502-L509 HydrophobicContact CD1-CD1 3.88Å; L502-L509 HydrophobicContact CD1-CD2 4.15Å; L502-I537 HydrophobicContact CD1-CD1 4.07Å; L502-L561 HydrophobicContact CD1-CD1 3.86Å; L502-L561 HydrophobicContact CD2-CD1 4.27Å; L502-L561 HydrophobicContact CD2-CD2 4.15Å
503	N	89.6	Confident	86.7	Confident	84 Å²	84	54.2 Å²	54.2	45%	0.449	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	43.7	179.8	-169.3	49	0	0	0	113.6	V438 L441 A499 K500 A501	V438-N503 HydrophobicContact CG1-CB 3.96Å; V438-N503 HydrophobicContact CG2-CB 4.46Å; L441-N503 VanDerWaalsContact CD2-ND2 3.32Å; L441-N503 WeakPolarHBondContact CD2-ND2 3.41Å; L441-N503 WeakPolarHBondContact CG-ND2 3.23Å; A499-N503 PolarHBondContact O-N 3.31Å; K500-N503 PolarHBondContact O-N 3.08Å; K500-N503 VanDerWaalsContact O-N 3.13Å; A501-N503 PolarHBondContact O-N 2.96Å
504	T	88.7	Confident	84.1	Confident	18 Å²	18	57.5 Å²	57.5	11%	0.11	29%	0.289	C	S	.	.	S	Bend	trans	-134.6	167.1	176.5	178.4	0	0	0	0	109.6	A499 L502 L509 Q534	A499-T504 CarbonylContact C-O 3.58Å; A499-T504 VanDerWaalsContact C-O 3.26Å; A499-T504 WeakPolarHBondContact CB-O 3.47Å; A499-T504 PolarHBondContact O-N 3.49Å; L502-T504 VanDerWaalsContact C-N 3.27Å; L502-T504 HydrophobicContact CB-CG2 4.02Å; L502-T504 PolarHBondContact O-N 3.48Å; T504-L509 HydrophobicContact CG2-CB 3.82Å; T504-L509 HydrophobicContact CG2-CD1 3.98Å; T504-L509 HydrophobicContact CG2-CD2 4.12Å; T504-L509 HydrophobicContact CG2-CG 4.19Å; T504-Q534 PolarHBondContact OG1-OE1 2.97Å
505	N	88.2	Confident	81.3	Confident	72 Å²	72	62 Å²	62	39%	0.385	32%	0.321	S	S	.	.			trans	-87.8	156.9	172.1	67.8	71.6	0	0	0	110.5	T507 D508 L509	N505-T507 PolarHBondContact O-N 2.91Å; N505-T507 VanDerWaalsContact OD1-CB 3.25Å; N505-T507 WeakPolarHBondContact OD1-CB 3.35Å; N505-T507 PolarHBondContact OD1-N 3.49Å; N505-T507 VanDerWaalsContact OD1-N 3.17Å; N505-D508 PolarHBondContact ND2-OD2 3.48Å; N505-D508 PolarHBondContact O-N 3.39Å; N505-D508 PolarHBondContact OD1-N 3.21Å; N505-L509 WeakPolarHBondContact O-CB 3.4Å; N505-L509 PolarHBondContact O-N 3.34Å
506	I	89.1	Confident	78.3	Confident	48 Å²	48	64.9 Å²	64.9	25%	0.246	34%	0.341	C	S	.	.	H	α-helix	trans	-62.1	-32	-175.9	-167.4	165.1	0	0	0	112.8	E492 K495 I496 A499 F510	E492-I506 WeakPolarHBondContact OE1-CD1 3.42Å; K495-I506 HydrophobicContact CB-CD1 3.74Å; K495-I506 HydrophobicContact CB-CG1 4.41Å; I496-I506 HydrophobicContact CG1-CD1 3.93Å; A499-I506 HydrophobicContact CB-CB 4.38Å; I506-F510 HydrophobicContact CG1-CD2 3.79Å; I506-F510 HydrophobicContact CG1-CE2 4.13Å; I506-F510 WeakPolarHBondContact O-CD2 3.07Å; I506-F510 PolarHBondContact O-N 2.78Å
507	T	86.9	Confident	75.4	Confident	63 Å²	63	66 Å²	66	39%	0.387	36%	0.355	S	S	.	.	H	α-helix	trans	-64.7	-54.1	178.9	-52.6	0	0	0	0	109.9	N505 L509 F510 Q511	N505-T507 PolarHBondContact O-N 2.91Å; N505-T507 VanDerWaalsContact OD1-CB 3.25Å; N505-T507 WeakPolarHBondContact OD1-CB 3.35Å; N505-T507 PolarHBondContact OD1-N 3.49Å; N505-T507 VanDerWaalsContact OD1-N 3.17Å; T507-L509 VanDerWaalsContact C-N 3.32Å; T507-L509 PolarHBondContact O-N 2.83Å; T507-F510 PolarHBondContact O-N 3.13Å; T507-Q511 HydrophobicContact CG2-CG 4.02Å; T507-Q511 WeakPolarHBondContact O-CB 3.45Å; T507-Q511 VanDerWaalsContact O-CG 3.25Å; T507-Q511 WeakPolarHBondContact O-CG 3.48Å; T507-Q511 PolarHBondContact O-N 2.72Å
508	D	85.2	Confident	72.3	Confident	59 Å²	59	69.1 Å²	69.1	32%	0.316	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-37.3	-179.3	-67.8	-10.3	0	0	0	111.7	N505 F510 Q534	N505-D508 PolarHBondContact ND2-OD2 3.48Å; N505-D508 PolarHBondContact O-N 3.39Å; N505-D508 PolarHBondContact OD1-N 3.21Å; D508-F510 PolarHBondContact O-N 3.36Å; D508-Q534 PolarHBondContact OD2-NE2 3.2Å; D508-Q534 PolarHBondContact OD2-OE1 3.03Å; D508-Q534 VanDerWaalsContact OD2-OE1 3.11Å
509	L	88.4	Confident	69.1	Low	0 Å²	0	77.1 Å²	77.1	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-66.7	-36.8	-179.6	-173.6	57.5	0	0	0	113.3	L498 A499 L502 T504 N505 T507 I537	L498-L509 HydrophobicContact CB-CD2 4.48Å; A499-L509 HydrophobicContact CB-CD2 3.84Å; L502-L509 HydrophobicContact CD1-CD1 3.88Å; L502-L509 HydrophobicContact CD1-CD2 4.15Å; T504-L509 HydrophobicContact CG2-CB 3.82Å; T504-L509 HydrophobicContact CG2-CD1 3.98Å; T504-L509 HydrophobicContact CG2-CD2 4.12Å; T504-L509 HydrophobicContact CG2-CG 4.19Å; N505-L509 WeakPolarHBondContact O-CB 3.4Å; N505-L509 PolarHBondContact O-N 3.34Å; T507-L509 VanDerWaalsContact C-N 3.32Å; T507-L509 PolarHBondContact O-N 2.83Å; L509-I537 HydrophobicContact CD1-CB 4.03Å; L509-I537 HydrophobicContact CD1-CD1 3.65Å; L509-I537 HydrophobicContact CD1-CG1 3.57Å; L509-I537 HydrophobicContact CD2-CD1 3.9Å; L509-I537 HydrophobicContact CG-CB 4.29Å; L509-I537 HydrophobicContact CG-CD1 3.87Å; L509-I537 HydrophobicContact CG-CG1 4.15Å; L509-I537 PolarHBondContact O-N 3.44Å
510	F	88	Confident	66	Low	39 Å²	39	84.7 Å²	84.7	17%	0.171	46%	0.455	C	S	.	.	H	α-helix	trans	-111.9	-15.7	-171.2	-71.8	-85.6	0	0	0	115.3	K495 I506 T507 D508 I537 W540	K495-F510 HydrophobicContact CB-CE2 3.72Å; K495-F510 HydrophobicContact CB-CZ 3.85Å; K495-F510 HydrophobicContact CD-CE1 4.08Å; K495-F510 HydrophobicContact CD-CE2 4.11Å; K495-F510 HydrophobicContact CD-CZ 3.86Å; K495-F510 HydrophobicContact CG-CE1 4.16Å; K495-F510 HydrophobicContact CG-CE2 3.89Å; K495-F510 HydrophobicContact CG-CZ 3.53Å; I506-F510 HydrophobicContact CG1-CD2 3.79Å; I506-F510 HydrophobicContact CG1-CE2 4.13Å; I506-F510 WeakPolarHBondContact O-CD2 3.07Å; I506-F510 PolarHBondContact O-N 2.78Å; T507-F510 PolarHBondContact O-N 3.13Å; D508-F510 PolarHBondContact O-N 3.36Å; F510-I537 HydrophobicContact CE1-CG2 4.21Å; F510-W540 HydrophobicContact CD1-CB 4.48Å; F510-W540 HydrophobicContact CE1-CB 4.11Å; F510-W540 AromaticContact CE1-CD2 3.65Å; F510-W540 HydrophobicContact CE1-CD2 3.65Å; F510-W540 AromaticContact CE1-CE3 3.71Å; F510-W540 HydrophobicContact CE1-CE3 3.71Å; F510-W540 AromaticContact CE1-CG 3.83Å; F510-W540 HydrophobicContact CE1-CG 3.83Å; F510-W540 HydrophobicContact CE1-CZ3 4.41Å; F510-W540 HydrophobicContact CZ-CD2 4.25Å; F510-W540 HydrophobicContact CZ-CE3 4.04Å; F510-W540 HydrophobicContact CZ-CZ3 4.29Å
511	Q	72.2	Confident	62.9	Low	127 Å²	127	83.6 Å²	83.6	59%	0.593	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-84.1	-5	-172.4	-75.5	-168.3	-11.5	0	0	116.2	T507 V513 N514	T507-Q511 HydrophobicContact CG2-CG 4.02Å; T507-Q511 WeakPolarHBondContact O-CB 3.45Å; T507-Q511 VanDerWaalsContact O-CG 3.25Å; T507-Q511 WeakPolarHBondContact O-CG 3.48Å; T507-Q511 PolarHBondContact O-N 2.72Å; Q511-V513 PolarHBondContact O-N 2.95Å; Q511-N514 PolarHBondContact O-N 2.91Å
512	F	58.8	Low	59.8	Low	82 Å²	82	88.4 Å²	88.4	36%	0.36	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-61.6	-4.7	179.6	-148.5	-90.8	0	0	0	113.9	I468 N514 F536	I468-F512 HydrophobicContact CD1-CE1 3.92Å; I468-F512 HydrophobicContact CG1-CE1 4.25Å; I468-F512 HydrophobicContact CG1-CZ 4.43Å; F512-N514 PolarHBondContact O-N 3.21Å; F512-F536 HydrophobicContact CB-CB 4.33Å; F512-F536 HydrophobicContact CB-CD2 3.67Å; F512-F536 HydrophobicContact CB-CE2 4.13Å; F512-F536 HydrophobicContact CB-CG 4.01Å; F512-F536 HydrophobicContact CD1-CD2 4.22Å; F512-F536 HydrophobicContact CD1-CE1 4.46Å; F512-F536 AromaticContact CD1-CE2 3.81Å; F512-F536 HydrophobicContact CD1-CE2 3.81Å; F512-F536 AromaticContact CD1-CZ 3.94Å; F512-F536 HydrophobicContact CD1-CZ 3.94Å; F512-F536 HydrophobicContact CD2-CD1 4.41Å; F512-F536 HydrophobicContact CD2-CG 4.45Å; F512-F536 HydrophobicContact CE1-CZ 4.2Å; F512-F536 HydrophobicContact CG-CD1 4.41Å; F512-F536 AromaticContact CG-CD2 3.95Å; F512-F536 HydrophobicContact CG-CD2 3.95Å; F512-F536 HydrophobicContact CG-CE1 4.47Å; F512-F536 HydrophobicContact CG-CE2 4.02Å; F512-F536 HydrophobicContact CG-CG 4.15Å; F512-F536 HydrophobicContact CG-CZ 4.28Å
513	V	48.4	Very low	56.6	Low	83 Å²	83	95.2 Å²	95.2	50%	0.503	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-74.4	-16.4	180	-176.2	0	0	0	0	114	Q511	Q511-V513 PolarHBondContact O-N 2.95Å
514	N	38.7	Very low	53.7	Low	136 Å²	136	99.4 Å²	99.4	73%	0.727	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-100.3	2.5	-167.9	-78.4	-16.4	0	0	0	117.6	Q511 F512 T516	Q511-N514 PolarHBondContact O-N 2.91Å; F512-N514 PolarHBondContact O-N 3.21Å; N514-T516 PolarHBondContact O-N 3.41Å; N514-T516 VanDerWaalsContact O-N 3.13Å
515	S	34.1	Very low	50.9	Low	96 Å²	96	104.7 Å²	104.7	67%	0.671	58%	0.577	S	S	*	*			trans	-87.4	51	170.4	39.2	0	0	0	0	111.8
516	T	30.3	Very low	48.1	Very low	98 Å²	98	109.2 Å²	109.2	60%	0.601	60%	0.6	S	S	*	*			trans	-70.8	129.6	159.3	-15.9	0	0	0	0	107	N514 N518	N514-T516 PolarHBondContact O-N 3.41Å; N514-T516 VanDerWaalsContact O-N 3.13Å; T516-N518 PolarHBondContact O-N 3.45Å
517	P	33.6	Very low	45.2	Very low	113 Å²	113	111.1 Å²	111.1	73%	0.734	61%	0.611	S	S	*	*			trans	-72.4	82.3	176.8	29.5	-31.8	0	0	0	108.5	N519	P517-N519 PolarHBondContact O-N 3.03Å
518	N	29	Very low	42.8	Very low	137 Å²	137	112.8 Å²	112.8	73%	0.733	62%	0.616	S	S	*	*			trans	-67.7	122.9	160.7	-79.9	-15.5	0	0	0	106.5	T516 E520	T516-N518 PolarHBondContact O-N 3.45Å; N518-E520 PolarHBondContact O-N 2.66Å
519	N	28.8	Very low	40.4	Very low	169 Å²	169	117.3 Å²	117.3	90%	0.904	64%	0.636	S	S	*	*	S	Bend	trans	-61.7	50.3	-177.6	-78.6	-37.8	0	0	0	114.3	P517	P517-N519 PolarHBondContact O-N 3.03Å
520	E	28.7	Very low	38.1	Very low	162 Å²	162	125.1 Å²	125.1	76%	0.757	67%	0.672	S	S	*	*			trans	-119.3	110.1	172.1	-69.4	-170.7	171.7	0	0	109	N518 V522	N518-E520 PolarHBondContact O-N 2.66Å; E520-V522 PolarHBondContact O-N 2.77Å
521	T	26.8	Very low	36	Very low	154 Å²	154	126.6 Å²	126.6	95%	0.945	68%	0.684	S	S	*	*			trans	-49.4	77	172.6	26.9	0	0	0	0	112.9
522	V	28.2	Very low	35.1	Very low	117 Å²	117	124.5 Å²	124.5	71%	0.709	68%	0.677	S	S	*	*			trans	-128.3	99.5	172.9	-176.5	0	0	0	0	108.7	E520	E520-V522 PolarHBondContact O-N 2.77Å
523	N	26.8	Very low	35.6	Very low	142 Å²	142	124 Å²	124	76%	0.759	68%	0.679	S	S	*	*			trans	39.6	105.9	160.6	-77.9	-17.2	0	0	0	117.7	N525	N523-N525 PolarHBondContact O-N 3.42Å
524	D	29	Very low	37	Very low	173 Å²	173	123.4 Å²	123.4	93%	0.925	67%	0.67	S	S	*	*	S	Bend	trans	-53.5	27	171.6	-73.2	-41.8	0	0	0	117.7
525	N	29.7	Very low	39.4	Very low	129 Å²	129	117 Å²	117	69%	0.69	64%	0.636	S	S	*	*			trans	-126	30.9	-175.5	-68.4	-23.3	0	0	0	114	N523 N527	N523-N525 PolarHBondContact O-N 3.42Å; N525-N527 PolarHBondContact O-N 2.82Å
526	L	28.3	Very low	42.2	Very low	166 Å²	166	113 Å²	113	87%	0.869	61%	0.606	S	S	*	*			trans	-72.7	86.6	161.2	-99.4	149.5	0	0	0	108	I528	L526-I528 PolarHBondContact O-N 3.18Å
527	N	28.8	Very low	45.2	Very low	89 Å²	89	108.4 Å²	108.4	48%	0.476	58%	0.578	S	S	.	*			trans	-43.9	87.6	-178.5	-70.1	-29.2	0	0	0	113.4	N525 E529 Q530	N525-N527 PolarHBondContact O-N 2.82Å; N527-E529 PolarHBondContact O-N 3.4Å; N527-E529 VanDerWaalsContact O-N 3.15Å; N527-Q530 PolarHBondContact O-N 3.02Å
528	I	35.7	Very low	48	Very low	98 Å²	98	105.3 Å²	105.3	50%	0.503	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.8	-13.6	162.5	-65.3	176.1	0	0	0	110.7	P467 K471 L526	P467-I528 HydrophobicContact CB-CD1 4.4Å; P467-I528 HydrophobicContact CB-CG2 4.25Å; P467-I528 HydrophobicContact CG-CD1 4.06Å; K471-I528 PolarHBondContact NZ-O 3.27Å; L526-I528 PolarHBondContact O-N 3.18Å
529	E	35.8	Very low	51	Low	154 Å²	154	102.5 Å²	102.5	72%	0.72	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.6	178.5	-64.9	-169.2	160.2	0	0	114.5	N527 N532	N527-E529 PolarHBondContact O-N 3.4Å; N527-E529 VanDerWaalsContact O-N 3.15Å; E529-N532 PolarHBondContact O-ND2 3.33Å; E529-N532 PolarHBondContact O-OD1 3.5Å
530	Q	40.7	Very low	54.2	Low	164 Å²	164	96.4 Å²	96.4	77%	0.766	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-13.8	-173.9	-86.3	-174.1	-22.2	0	0	115.5	N527 N532	N527-Q530 PolarHBondContact O-N 3.02Å; Q530-N532 VanDerWaalsContact C-N 3.3Å; Q530-N532 PolarHBondContact O-N 3.13Å
531	T	44.1	Very low	57.5	Low	70 Å²	70	94.2 Å²	94.2	43%	0.429	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	14.8	-179.9	55.9	0	0	0	0	113.6	D533 Q534	T531-D533 VanDerWaalsContact C-N 3.26Å; T531-D533 PolarHBondContact O-N 3.49Å; T531-Q534 PolarHBondContact O-N 2.76Å
532	N	52.3	Low	60.8	Low	82 Å²	82	88.3 Å²	88.3	44%	0.439	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-25.6	-150.5	-99.8	-6.6	0	0	0	117.8	K471 E529 Q530	K471-N532 WeakPolarHBondContact CE-OD1 3.46Å; K471-N532 PolarHBondContact NZ-OD1 3.29Å; E529-N532 PolarHBondContact O-ND2 3.33Å; E529-N532 PolarHBondContact O-OD1 3.5Å; Q530-N532 VanDerWaalsContact C-N 3.3Å; Q530-N532 PolarHBondContact O-N 3.13Å
533	D	68.8	Low	64	Low	73 Å²	73	86 Å²	86	39%	0.39	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	19.9	-171.7	-66.3	-42	0	0	0	115.4	T531 L566 W567	T531-D533 VanDerWaalsContact C-N 3.26Å; T531-D533 PolarHBondContact O-N 3.49Å; D533-L566 VanDerWaalsContact OD1-CD1 3.28Å; D533-L566 WeakPolarHBondContact OD1-CD1 3.13Å; D533-W567 VanDerWaalsContact O-CE2 3.29Å; D533-W567 WeakPolarHBondContact O-CZ2 3.28Å; D533-W567 PolarHBondContact O-NE1 2.68Å; D533-W567 VanDerWaalsContact O-NE1 3.1Å
534	Q	79.5	Confident	67.3	Low	70 Å²	70	83.8 Å²	83.8	33%	0.327	42%	0.417	S	S	.	.			trans	-103.3	146.6	-179.8	-65.5	-163.7	40.4	0	0	113.9	T504 D508 T531 P564	T504-Q534 PolarHBondContact OG1-OE1 2.97Å; D508-Q534 PolarHBondContact OD2-NE2 3.2Å; D508-Q534 PolarHBondContact OD2-OE1 3.03Å; D508-Q534 VanDerWaalsContact OD2-OE1 3.11Å; T531-Q534 PolarHBondContact O-N 2.76Å; Q534-P564 WeakPolarHBondContact O-CG 3.44Å
535	C	88.9	Confident	70.5	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.007	38%	0.381	C	S	.	.			trans	-78.7	153.5	169.1	67.9	0	0	0	0	111.7	L561 Y562 L563 W567	C535-L561 HydrophobicContact CB-CD1 4.37Å; C535-Y562 VanDerWaalsContact CA-O 3.23Å; C535-Y562 WeakPolarHBondContact CA-O 3.26Å; C535-Y562 VanDerWaalsContact CB-O 3.24Å; C535-Y562 WeakPolarHBondContact CB-O 3.47Å; C535-L563 HydrophobicContact CB-CD2 4Å; C535-W567 HydrophobicContact CB-CH2 3.88Å; C535-W567 HydrophobicContact CB-CZ3 3.73Å
536	F	91.4	Very high	73.6	Confident	12 Å²	12	73.2 Å²	73.2	5%	0.053	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	164.5	174.8	69.7	-88.6	0	0	0	111.7	F472 F512 Y562	F472-F536 HydrophobicContact CD1-CE1 4.17Å; F472-F536 HydrophobicContact CD2-CE1 4.11Å; F472-F536 HydrophobicContact CE1-CD1 4.02Å; F472-F536 AromaticContact CE1-CE1 3.79Å; F472-F536 HydrophobicContact CE1-CE1 3.79Å; F472-F536 HydrophobicContact CE2-CD1 4.41Å; F472-F536 AromaticContact CE2-CE1 3.73Å; F472-F536 HydrophobicContact CE2-CE1 3.73Å; F472-F536 HydrophobicContact CG-CE1 4.34Å; F472-F536 AromaticContact CZ-CD1 3.85Å; F472-F536 HydrophobicContact CZ-CD1 3.85Å; F472-F536 AromaticContact CZ-CE1 3.58Å; F472-F536 HydrophobicContact CZ-CE1 3.58Å; F512-F536 HydrophobicContact CB-CB 4.33Å; F512-F536 HydrophobicContact CB-CD2 3.67Å; F512-F536 HydrophobicContact CB-CE2 4.13Å; F512-F536 HydrophobicContact CB-CG 4.01Å; F512-F536 HydrophobicContact CD1-CD2 4.22Å; F512-F536 HydrophobicContact CD1-CE1 4.46Å; F512-F536 AromaticContact CD1-CE2 3.81Å; F512-F536 HydrophobicContact CD1-CE2 3.81Å; F512-F536 AromaticContact CD1-CZ 3.94Å; F512-F536 HydrophobicContact CD1-CZ 3.94Å; F512-F536 HydrophobicContact CD2-CD1 4.41Å; F512-F536 HydrophobicContact CD2-CG 4.45Å; F512-F536 HydrophobicContact CE1-CZ 4.2Å; F512-F536 HydrophobicContact CG-CD1 4.41Å; F512-F536 AromaticContact CG-CD2 3.95Å; F512-F536 HydrophobicContact CG-CD2 3.95Å; F512-F536 HydrophobicContact CG-CE1 4.47Å; F512-F536 HydrophobicContact CG-CE2 4.02Å; F512-F536 HydrophobicContact CG-CG 4.15Å; F512-F536 HydrophobicContact CG-CZ 4.28Å; F536-Y562 AromaticContact CD2-CD2 3.96Å; F536-Y562 HydrophobicContact CD2-CD2 3.96Å; F536-Y562 HydrophobicContact CD2-CG 4.27Å; F536-Y562 HydrophobicContact CE1-CD1 4.32Å; F536-Y562 HydrophobicContact CE1-CD2 4.45Å; F536-Y562 AromaticContact CE1-CG 3.83Å; F536-Y562 HydrophobicContact CE1-CG 3.83Å; F536-Y562 HydrophobicContact CE2-CD1 4.24Å; F536-Y562 AromaticContact CE2-CD2 3.36Å; F536-Y562 HydrophobicContact CE2-CD2 3.36Å; F536-Y562 AromaticContact CE2-CE2 3.93Å; F536-Y562 HydrophobicContact CE2-CE2 3.93Å; F536-Y562 AromaticContact CE2-CG 3.55Å; F536-Y562 HydrophobicContact CE2-CG 3.55Å; F536-Y562 VanDerWaalsContact CZ-CB 3.44Å; F536-Y562 AromaticContact CZ-CD1 3.68Å; F536-Y562 HydrophobicContact CZ-CD1 3.68Å; F536-Y562 AromaticContact CZ-CD2 3.65Å; F536-Y562 HydrophobicContact CZ-CD2 3.65Å; F536-Y562 HydrophobicContact CZ-CE1 4.34Å; F536-Y562 HydrophobicContact CZ-CE2 4.33Å; F536-Y562 AromaticContact CZ-CG 3.29Å; F536-Y562 HydrophobicContact CZ-CG 3.29Å; F536-Y562 PolarHBondContact N-O 2.76Å; F536-Y562 PolarHBondContact O-N 2.83Å
537	I	93.5	Very high	76.7	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.9	179.5	-77.6	172.2	0	0	0	110.1	L502 L509 F510 W540 F559 E560 L561	L502-I537 HydrophobicContact CD1-CD1 4.07Å; L509-I537 HydrophobicContact CD1-CB 4.03Å; L509-I537 HydrophobicContact CD1-CD1 3.65Å; L509-I537 HydrophobicContact CD1-CG1 3.57Å; L509-I537 HydrophobicContact CD2-CD1 3.9Å; L509-I537 HydrophobicContact CG-CB 4.29Å; L509-I537 HydrophobicContact CG-CD1 3.87Å; L509-I537 HydrophobicContact CG-CG1 4.15Å; L509-I537 PolarHBondContact O-N 3.44Å; F510-I537 HydrophobicContact CE1-CG2 4.21Å; I537-W540 HydrophobicContact CG2-CB 4.33Å; I537-W540 HydrophobicContact CG2-CE3 4.4Å; I537-F559 HydrophobicContact CB-CD2 4.44Å; I537-F559 HydrophobicContact CD1-CD1 4.48Å; I537-F559 HydrophobicContact CD1-CD2 3.54Å; I537-F559 HydrophobicContact CD1-CE2 3.55Å; I537-F559 HydrophobicContact CD1-CG 4.03Å; I537-F559 HydrophobicContact CD1-CZ 4.07Å; I537-F559 HydrophobicContact CG1-CD2 3.56Å; I537-F559 HydrophobicContact CG1-CE2 3.9Å; I537-F559 HydrophobicContact CG1-CG 4.25Å; I537-F559 HydrophobicContact CG2-CB 3.56Å; I537-F559 HydrophobicContact CG2-CD2 4.11Å; I537-F559 HydrophobicContact CG2-CG 4.02Å; I537-E560 CarbonylContact C-O 3.19Å; I537-E560 VanDerWaalsContact CA-O 3.27Å; I537-E560 WeakPolarHBondContact CA-O 3.41Å; I537-L561 HydrophobicContact CG1-CD1 4.05Å
538	N	93.2	Very high	79.5	Confident	48 Å²	48	66.9 Å²	66.9	26%	0.257	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	166.6	166.8	-163.9	22.8	0	0	0	111.4	W540 E560 Y562	N538-W540 VanDerWaalsContact C-N 3.29Å; N538-W540 PolarHBondContact O-N 3.21Å; N538-E560 HydrophobicContact CB-CB 4.24Å; N538-E560 PolarHBondContact N-O 2.98Å; N538-E560 PolarHBondContact O-N 3.37Å; N538-Y562 HydrophobicContact CB-CD2 4.43Å; N538-Y562 HydrophobicContact CB-CE2 3.78Å
539	N	92.9	Very high	81.9	Confident	78 Å²	78	64.1 Å²	64.1	42%	0.417	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.2	46.1	175.2	-68.3	-26.9	0	0	0	113.1	H541 E560	N539-H541 PolarHBondContact O-CD2 2.95Å; N539-H541 PolarHBondContact O-N 2.69Å; N539-E560 HydrophobicContact CB-CG 4.35Å; N539-E560 PolarHBondContact ND2-OE1 3.2Å; N539-E560 PolarHBondContact ND2-OE2 2.99Å
540	W	95.7	Very high	84.2	Confident	41 Å²	41	62.1 Å²	62.1	16%	0.155	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	124.8	179	170.8	-94.7	0	0	0	111.9	E491 I494 K495 L498 F510 I537 N538 Y542 A557 F559	E491-W540 HydrophobicContact CG-CZ2 4.3Å; E491-W540 PolarHBondContact OE1-NE1 3.24Å; I494-W540 HydrophobicContact CG2-CH2 4.36Å; K495-W540 HydrophobicContact CG-CH2 4.41Å; K495-W540 HydrophobicContact CG-CZ2 3.92Å; L498-W540 HydrophobicContact CD1-CE3 4.5Å; L498-W540 HydrophobicContact CD1-CH2 3.18Å; L498-W540 HydrophobicContact CD1-CZ2 4.39Å; L498-W540 HydrophobicContact CD1-CZ3 3.25Å; F510-W540 HydrophobicContact CD1-CB 4.48Å; F510-W540 HydrophobicContact CE1-CB 4.11Å; F510-W540 AromaticContact CE1-CD2 3.65Å; F510-W540 HydrophobicContact CE1-CD2 3.65Å; F510-W540 AromaticContact CE1-CE3 3.71Å; F510-W540 HydrophobicContact CE1-CE3 3.71Å; F510-W540 AromaticContact CE1-CG 3.83Å; F510-W540 HydrophobicContact CE1-CG 3.83Å; F510-W540 HydrophobicContact CE1-CZ3 4.41Å; F510-W540 HydrophobicContact CZ-CD2 4.25Å; F510-W540 HydrophobicContact CZ-CE3 4.04Å; F510-W540 HydrophobicContact CZ-CZ3 4.29Å; I537-W540 HydrophobicContact CG2-CB 4.33Å; I537-W540 HydrophobicContact CG2-CE3 4.4Å; N538-W540 VanDerWaalsContact C-N 3.29Å; N538-W540 PolarHBondContact O-N 3.21Å; W540-Y542 HydrophobicContact CH2-CD2 4.46Å; W540-Y542 HydrophobicContact CZ2-CD2 4.11Å; W540-Y542 HydrophobicContact CZ2-CG 4.17Å; W540-A557 HydrophobicContact CH2-CB 3.56Å; W540-A557 HydrophobicContact CZ2-CB 4.48Å; W540-A557 HydrophobicContact CZ3-CB 3.75Å; W540-F559 HydrophobicContact CE3-CB 4.12Å; W540-F559 AromaticContact CE3-CD1 3.85Å; W540-F559 HydrophobicContact CE3-CD1 3.85Å; W540-F559 HydrophobicContact CE3-CG 4.25Å; W540-F559 AromaticContact CZ3-CD1 3.65Å; W540-F559 HydrophobicContact CZ3-CD1 3.65Å; W540-F559 HydrophobicContact CZ3-CE1 4.06Å; W540-F559 HydrophobicContact CZ3-CG 4.45Å
541	H	96.4	Very high	86.5	Confident	115 Å²	115	60.8 Å²	60.8	53%	0.532	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	121.8	172	-62.4	-65.2	0	0	0	110.3	N539 E558	N539-H541 PolarHBondContact O-CD2 2.95Å; N539-H541 PolarHBondContact O-N 2.69Å; H541-E558 HydrophobicContact CB-CB 4.24Å; H541-E558 PolarHBondContact N-O 2.86Å; H541-E558 PolarHBondContact O-N 3.3Å
542	Y	96.3	Very high	88.8	Confident	31 Å²	31	60 Å²	60	12%	0.122	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	98	175.7	-171	-123.5	0	0	0	110.7	M484 E491 I494 W540 Y555 A557	M484-Y542 HydrophobicContact SD-CE1 3.89Å; E491-Y542 HydrophobicContact CB-CD1 3.78Å; E491-Y542 HydrophobicContact CB-CE1 4.12Å; E491-Y542 HydrophobicContact CG-CD1 3.58Å; E491-Y542 HydrophobicContact CG-CE1 4.3Å; E491-Y542 HydrophobicContact CG-CG 3.91Å; I494-Y542 HydrophobicContact CG1-CE2 4.35Å; I494-Y542 HydrophobicContact CG2-CE2 4.02Å; W540-Y542 HydrophobicContact CH2-CD2 4.46Å; W540-Y542 HydrophobicContact CZ2-CD2 4.11Å; W540-Y542 HydrophobicContact CZ2-CG 4.17Å; Y542-Y555 AromaticContact CD1-CD1 3.68Å; Y542-Y555 HydrophobicContact CD1-CD1 3.68Å; Y542-Y555 HydrophobicContact CD1-CE1 4.04Å; Y542-Y555 HydrophobicContact CD1-CG 4.42Å; Y542-Y555 HydrophobicContact CD2-CD1 4.29Å; Y542-Y555 AromaticContact CE1-CD1 3.35Å; Y542-Y555 HydrophobicContact CE1-CD1 3.35Å; Y542-Y555 HydrophobicContact CE1-CD2 4.36Å; Y542-Y555 AromaticContact CE1-CE1 3.74Å; Y542-Y555 HydrophobicContact CE1-CE1 3.74Å; Y542-Y555 AromaticContact CE1-CG 3.73Å; Y542-Y555 HydrophobicContact CE1-CG 3.73Å; Y542-Y555 AromaticContact CE2-CD1 4Å; Y542-Y555 HydrophobicContact CE2-CD1 4Å; Y542-Y555 AromaticContact CE2-CG 3.87Å; Y542-Y555 HydrophobicContact CE2-CG 3.87Å; Y542-Y555 HydrophobicContact CG-CD1 4.13Å; Y542-Y555 AromaticContact CZ-CD1 3.52Å; Y542-Y555 AromaticContact CZ-CG 3.4Å; Y542-Y555 WeakPolarHBondContact OH-CB 3.37Å; Y542-A557 HydrophobicContact CD2-CB 4.17Å
543	R	96.1	Very high	90.8	Very high	68 Å²	68	56.3 Å²	56.3	26%	0.257	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.6	-165.7	-168	-172.8	59.1	78.4	10.5	112.4	E295 R298 V545 Y555 C556 E558	E295-R543 IonicContact OE1-CZ 3.86Å; E295-R543 IonicContact OE1-NH2 2.93Å; E295-R543 PolarHBondContact OE1-NH2 3.04Å; E295-R543 IonicContact OE2-CZ 3.66Å; E295-R543 IonicContact OE2-NH1 3.56Å; E295-R543 PolarHBondContact OE2-NH1 3.41Å; E295-R543 IonicContact OE2-NH2 3.49Å; E295-R543 PolarHBondContact OE2-NH2 2.83Å; R298-R543 VanDerWaalsContact NH2-NH2 3.12Å; R543-V545 PolarHBondContact O-N 3.36Å; R543-Y555 CarbonylContact O-C 3.59Å; R543-Y555 WeakPolarHBondContact O-CA 3.24Å; R543-Y555 WeakPolarHBondContact O-CB 3.47Å; R543-Y555 WeakPolarHBondContact O-CD1 3.24Å; R543-C556 PolarHBondContact N-O 3.19Å; R543-C556 PolarHBondContact O-N 3.48Å; R543-E558 IonicContact CZ-OE1 3.47Å; R543-E558 IonicContact NE-OE1 3.12Å; R543-E558 PolarHBondContact NE-OE1 3.03Å; R543-E558 IonicContact NH2-OE1 3.54Å
544	F	96.7	Very high	92.1	Very high	95 Å²	95	53.3 Å²	53.3	42%	0.417	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	128.1	170.1	176.1	-100.3	0	0	0	111	R546 D553 Y555	F544-R546 VanDerWaalsContact CE2-C 3.41Å; F544-R546 VanDerWaalsContact CZ-CA 3.43Å; F544-D553 HydrophobicContact CD2-CB 4.31Å; F544-D553 HydrophobicContact CE2-CB 3.98Å; F544-Y555 HydrophobicContact CB-CD1 4.24Å; F544-Y555 HydrophobicContact CB-CE1 3.79Å; F544-Y555 HydrophobicContact CD2-CE1 4.43Å; F544-Y555 AromaticContact CD2-CE2 3.91Å; F544-Y555 HydrophobicContact CD2-CE2 3.91Å; F544-Y555 AromaticContact CD2-CZ 3.84Å
545	V	96.5	Very high	93	Very high	26 Å²	26	51.8 Å²	51.8	16%	0.158	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-56	174.9	-177.2	0	0	0	0	109.4	L292 E295 Y481 R543 M554 C556	L292-V545 HydrophobicContact CD2-CG1 4.27Å; E295-V545 HydrophobicContact CB-CG1 4.2Å; E295-V545 HydrophobicContact CG-CG1 3.96Å; Y481-V545 HydrophobicContact CD1-CG2 4.02Å; Y481-V545 HydrophobicContact CE1-CG2 3.85Å; R543-V545 PolarHBondContact O-N 3.36Å; V545-M554 WeakPolarHBondContact CA-O 3.1Å; V545-M554 HydrophobicContact CB-CB 4.36Å; V545-M554 HydrophobicContact CB-CG 4.1Å; V545-M554 VanDerWaalsContact CB-O 3.31Å; V545-M554 WeakPolarHBondContact CB-O 3.16Å; V545-M554 HydrophobicContact CG1-CG 4.49Å; V545-M554 HydrophobicContact CG1-SD 4.47Å; V545-M554 HydrophobicContact CG2-CG 4.3Å; V545-M554 PolarHBondContact N-O 3.17Å; V545-C556 HydrophobicContact CG2-CB 3.94Å
546	R	94.4	Very high	93.4	Very high	55 Å²	55	51.8 Å²	51.8	21%	0.208	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	163.6	-176	60.4	174.5	-66.4	160.2	5.1	113	F544 V548 M554	F544-R546 VanDerWaalsContact CE2-C 3.41Å; F544-R546 VanDerWaalsContact CZ-CA 3.43Å; R546-V548 HydrophobicContact CG-CG1 3.97Å; R546-M554 HydrophobicContact CG-CB 4.05Å; R546-M554 HydrophobicContact CG-SD 4.47Å; R546-M554 PolarHBondContact N-O 3.27Å; R546-M554 PolarHBondContact O-N 2.75Å
547	N	92.2	Very high	93.7	Very high	68 Å²	68	51.2 Å²	51.2	36%	0.364	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	135.2	159.7	-176.6	-101.9	0	0	0	110.4	A549 K552 D553	N547-A549 PolarHBondContact ND2-O 2.94Å; N547-A549 PolarHBondContact OD1-O 3.29Å; N547-K552 PolarHBondContact ND2-O 3.24Å; N547-D553 WeakPolarHBondContact CA-OD1 3.45Å; N547-D553 PolarHBondContact ND2-OD1 2.59Å
548	V	88.2	Confident	94	Very high	54 Å²	54	52.4 Å²	52.4	33%	0.327	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-32.6	178.9	-61.9	0	0	0	0	112.9	F483 R546 K552 M554	F483-V548 HydrophobicContact CD1-CG2 3.98Å; F483-V548 HydrophobicContact CE1-CB 4.42Å; F483-V548 HydrophobicContact CE1-CG1 4.01Å; F483-V548 HydrophobicContact CE1-CG2 3.96Å; R546-V548 HydrophobicContact CG-CG1 3.97Å; V548-K552 HydrophobicContact CG2-CB 3.89Å; V548-K552 HydrophobicContact CG2-CD 3.85Å; V548-K552 HydrophobicContact CG2-CG 3.56Å; V548-K552 WeakPolarHBondContact CG2-O 3.34Å; V548-K552 PolarHBondContact N-O 3.12Å; V548-M554 HydrophobicContact CG1-CB 3.67Å
549	A	85.6	Confident	94.2	Very high	39 Å²	39	50.4 Å²	50.4	32%	0.322	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	170.4	174	0	0	0	0	0	109.7	N547 F551 K552	N547-A549 PolarHBondContact ND2-O 2.94Å; N547-A549 PolarHBondContact OD1-O 3.29Å; A549-F551 PolarHBondContact O-N 3.11Å; A549-F551 VanDerWaalsContact O-N 3.17Å; A549-K552 HydrophobicContact CB-CB 4.08Å; A549-K552 PolarHBondContact N-O 3.13Å; A549-K552 VanDerWaalsContact N-O 3.1Å; A549-K552 PolarHBondContact O-N 3.49Å
550	P	84.7	Confident	94.4	Very high	113 Å²	113	47.6 Å²	47.6	73%	0.734	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.2	126.1	170.3	-26.7	36.2	0	0	0	110.8	K552	P550-K552 PolarHBondContact O-N 3.25Å
551	F	89.7	Confident	94.4	Very high	135 Å²	135	45.7 Å²	45.7	59%	0.592	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	12.2	-177.5	-46.9	-76	0	0	0	116.1	R485 R486 A549	R485-F551 CarbonylContact C-O 3.53Å; R485-F551 WeakPolarHBondContact CA-O 3.38Å; R486-F551 HydrophobicContact CB-CB 4.26Å; R486-F551 PolarHBondContact N-O 3.14Å; A549-F551 PolarHBondContact O-N 3.11Å; A549-F551 VanDerWaalsContact O-N 3.17Å
552	K	91.7	Very high	94.2	Very high	55 Å²	55	41.9 Å²	41.9	24%	0.239	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.1	175.4	-167.7	-178.2	178.6	173.5	0	109.9	F483 N547 V548 A549 P550	F483-K552 HydrophobicContact CB-CG 4.45Å; N547-K552 PolarHBondContact ND2-O 3.24Å; V548-K552 HydrophobicContact CG2-CB 3.89Å; V548-K552 HydrophobicContact CG2-CD 3.85Å; V548-K552 HydrophobicContact CG2-CG 3.56Å; V548-K552 WeakPolarHBondContact CG2-O 3.34Å; V548-K552 PolarHBondContact N-O 3.12Å; A549-K552 HydrophobicContact CB-CB 4.08Å; A549-K552 PolarHBondContact N-O 3.13Å; A549-K552 VanDerWaalsContact N-O 3.1Å; A549-K552 PolarHBondContact O-N 3.49Å; P550-K552 PolarHBondContact O-N 3.25Å
553	D	95.1	Very high	93.9	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	159.8	177.6	-67.9	-29.8	0	0	0	110.9	F483 M484 R486 F544 N547 Y555	F483-D553 VanDerWaalsContact CA-O 3.31Å; F483-D553 WeakPolarHBondContact CA-O 3.17Å; M484-D553 PolarHBondContact N-O 2.89Å; M484-D553 PolarHBondContact O-N 3.47Å; R486-D553 IonicContact CZ-OD1 3.43Å; R486-D553 IonicContact CZ-OD2 3.64Å; R486-D553 VanDerWaalsContact CZ-OD2 3.25Å; R486-D553 IonicContact NE-OD1 3.4Å; R486-D553 IonicContact NE-OD2 3.51Å; R486-D553 PolarHBondContact NE-OD2 3.1Å; R486-D553 VanDerWaalsContact NH2-CG 3.32Å; R486-D553 IonicContact NH2-OD1 3.87Å; R486-D553 PolarHBondContact NH2-OD1 2.84Å; R486-D553 IonicContact NH2-OD2 2.86Å; R486-D553 PolarHBondContact NH2-OD2 2.82Å; F544-D553 HydrophobicContact CD2-CB 4.31Å; F544-D553 HydrophobicContact CE2-CB 3.98Å; N547-D553 WeakPolarHBondContact CA-OD1 3.45Å; N547-D553 PolarHBondContact ND2-OD1 2.59Å; D553-Y555 HydrophobicContact CB-CD2 4.09Å; D553-Y555 HydrophobicContact CB-CE2 3.61Å
554	M	95.8	Very high	93.5	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.049	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.7	171.3	179.4	173.7	173.2	0	0	108.7	L292 P427 Y481 F483 V545 R546 V548	L292-M554 HydrophobicContact CD2-CE 4.24Å; L292-M554 HydrophobicContact CD2-SD 4.14Å; P427-M554 HydrophobicContact CB-CG 4.46Å; P427-M554 HydrophobicContact CG-CE 3.57Å; P427-M554 HydrophobicContact CG-CG 4.37Å; P427-M554 HydrophobicContact CG-SD 4Å; Y481-M554 HydrophobicContact CD1-CE 3.22Å; Y481-M554 HydrophobicContact CE1-CE 3.83Å; Y481-M554 HydrophobicContact CG-CE 3.84Å; F483-M554 HydrophobicContact CD1-CB 4.08Å; F483-M554 HydrophobicContact CD1-CG 4.46Å; F483-M554 HydrophobicContact CE1-CB 4.13Å; F483-M554 HydrophobicContact CE1-CG 4.33Å; F483-M554 HydrophobicContact CE1-SD 4.41Å; V545-M554 WeakPolarHBondContact CA-O 3.1Å; V545-M554 HydrophobicContact CB-CB 4.36Å; V545-M554 HydrophobicContact CB-CG 4.1Å; V545-M554 VanDerWaalsContact CB-O 3.31Å; V545-M554 WeakPolarHBondContact CB-O 3.16Å; V545-M554 HydrophobicContact CG1-CG 4.49Å; V545-M554 HydrophobicContact CG1-SD 4.47Å; V545-M554 HydrophobicContact CG2-CG 4.3Å; V545-M554 PolarHBondContact N-O 3.17Å; R546-M554 HydrophobicContact CG-CB 4.05Å; R546-M554 HydrophobicContact CG-SD 4.47Å; R546-M554 PolarHBondContact N-O 3.27Å; R546-M554 PolarHBondContact O-N 2.75Å; V548-M554 HydrophobicContact CG1-CB 3.67Å
555	Y	97.6	Very high	92.9	Very high	39 Å²	39	35.9 Å²	35.9	15%	0.153	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	163.1	175.8	-76.1	-108.4	0	0	0	110.1	Y481 C482 M484 Y542 R543 F544 D553	Y481-Y555 WeakPolarHBondContact CA-O 3.36Å; C482-Y555 PolarHBondContact N-O 2.89Å; C482-Y555 PolarHBondContact O-N 3.29Å; M484-Y555 HydrophobicContact CB-CD2 3.95Å; M484-Y555 HydrophobicContact CB-CE2 4.12Å; M484-Y555 HydrophobicContact CE-CD2 4.41Å; M484-Y555 HydrophobicContact CE-CE2 3.51Å; M484-Y555 WeakPolarHBondContact CE-OH 3.43Å; M484-Y555 HydrophobicContact SD-CD2 4.46Å; M484-Y555 HydrophobicContact SD-CE2 4.06Å; Y542-Y555 AromaticContact CD1-CD1 3.68Å; Y542-Y555 HydrophobicContact CD1-CD1 3.68Å; Y542-Y555 HydrophobicContact CD1-CE1 4.04Å; Y542-Y555 HydrophobicContact CD1-CG 4.42Å; Y542-Y555 HydrophobicContact CD2-CD1 4.29Å; Y542-Y555 AromaticContact CE1-CD1 3.35Å; Y542-Y555 HydrophobicContact CE1-CD1 3.35Å; Y542-Y555 HydrophobicContact CE1-CD2 4.36Å; Y542-Y555 AromaticContact CE1-CE1 3.74Å; Y542-Y555 HydrophobicContact CE1-CE1 3.74Å; Y542-Y555 AromaticContact CE1-CG 3.73Å; Y542-Y555 HydrophobicContact CE1-CG 3.73Å; Y542-Y555 AromaticContact CE2-CD1 4Å; Y542-Y555 HydrophobicContact CE2-CD1 4Å; Y542-Y555 AromaticContact CE2-CG 3.87Å; Y542-Y555 HydrophobicContact CE2-CG 3.87Å; Y542-Y555 HydrophobicContact CG-CD1 4.13Å; Y542-Y555 AromaticContact CZ-CD1 3.52Å; Y542-Y555 AromaticContact CZ-CG 3.4Å; Y542-Y555 WeakPolarHBondContact OH-CB 3.37Å; R543-Y555 CarbonylContact O-C 3.59Å; R543-Y555 WeakPolarHBondContact O-CA 3.24Å; R543-Y555 WeakPolarHBondContact O-CB 3.47Å; R543-Y555 WeakPolarHBondContact O-CD1 3.24Å; F544-Y555 HydrophobicContact CB-CD1 4.24Å; F544-Y555 HydrophobicContact CB-CE1 3.79Å; F544-Y555 HydrophobicContact CD2-CE1 4.43Å; F544-Y555 AromaticContact CD2-CE2 3.91Å; F544-Y555 HydrophobicContact CD2-CE2 3.91Å; F544-Y555 AromaticContact CD2-CZ 3.84Å; D553-Y555 HydrophobicContact CB-CD2 4.09Å; D553-Y555 HydrophobicContact CB-CE2 3.61Å
556	C	98.2	Very high	92.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.4	167.3	-165.3	0	0	0	0	107.5	Y481 R543 V545 E558	Y481-C556 HydrophobicContact CD1-CB 3.83Å; Y481-C556 HydrophobicContact CE1-CB 3.76Å; Y481-C556 HydrophobicContact CG-CB 4.44Å; R543-C556 PolarHBondContact N-O 3.19Å; R543-C556 PolarHBondContact O-N 3.48Å; V545-C556 HydrophobicContact CG2-CB 3.94Å; C556-E558 HydrophobicContact CB-CG 4.25Å
557	A	98.1	Very high	91.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	113	165.6	0	0	0	0	0	107.9	C480 W540 Y542 F559	C480-A557 HydrophobicContact CB-CB 4.34Å; C480-A557 PolarHBondContact N-O 3.12Å; C480-A557 PolarHBondContact O-N 3.42Å; W540-A557 HydrophobicContact CH2-CB 3.56Å; W540-A557 HydrophobicContact CZ2-CB 4.48Å; W540-A557 HydrophobicContact CZ3-CB 3.75Å; Y542-A557 HydrophobicContact CD2-CB 4.17Å; A557-F559 HydrophobicContact CB-CD1 4.28Å; A557-F559 HydrophobicContact CB-CE1 4.16Å
558	E	98.2	Very high	91.2	Very high	27 Å²	27	34.4 Å²	34.4	13%	0.126	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.6	-177.7	-56.6	176.4	-154.7	0	0	107.7	R298 I478 Y479 H541 R543 C556	R298-E558 IonicContact CZ-OE1 3.67Å; R298-E558 IonicContact CZ-OE2 3.12Å; R298-E558 IonicContact NH1-OE1 2.72Å; R298-E558 PolarHBondContact NH1-OE1 3.49Å; R298-E558 IonicContact NH1-OE2 3.65Å; R298-E558 PolarHBondContact NH1-OE2 3.19Å; R298-E558 IonicContact NH2-OE1 2.98Å; R298-E558 PolarHBondContact NH2-OE1 2.84Å; R298-E558 IonicContact NH2-OE2 3.47Å; I478-E558 VanDerWaalsContact O-CA 3.31Å; I478-E558 WeakPolarHBondContact O-CA 3.38Å; Y479-E558 HydrophobicContact CD1-CG 3.68Å; Y479-E558 HydrophobicContact CE1-CG 3.9Å; Y479-E558 WeakPolarHBondContact CE1-OE2 3.33Å; H541-E558 HydrophobicContact CB-CB 4.24Å; H541-E558 PolarHBondContact N-O 2.86Å; H541-E558 PolarHBondContact O-N 3.3Å; R543-E558 IonicContact CZ-OE1 3.47Å; R543-E558 IonicContact NE-OE1 3.12Å; R543-E558 PolarHBondContact NE-OE1 3.03Å; R543-E558 IonicContact NH2-OE1 3.54Å; C556-E558 HydrophobicContact CB-CG 4.25Å
559	F	97.8	Very high	90.7	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	161.1	-177.2	55	-92.1	0	0	0	113.4	L434 I478 C480 L498 I537 W540 A557 L561	L434-F559 HydrophobicContact CD1-CZ 4.25Å; I478-F559 HydrophobicContact CB-CD1 4.48Å; I478-F559 HydrophobicContact CB-CD2 4.01Å; I478-F559 HydrophobicContact CB-CE1 4.18Å; I478-F559 HydrophobicContact CB-CE2 3.7Å; I478-F559 HydrophobicContact CB-CG 4.41Å; I478-F559 HydrophobicContact CB-CZ 3.78Å; I478-F559 HydrophobicContact CG1-CD2 4Å; I478-F559 HydrophobicContact CG1-CE2 3.56Å; I478-F559 HydrophobicContact CG1-CZ 4.05Å; I478-F559 HydrophobicContact CG2-CE1 4.1Å; I478-F559 HydrophobicContact CG2-CE2 4.14Å; I478-F559 HydrophobicContact CG2-CZ 3.73Å; I478-F559 PolarHBondContact N-O 3.1Å; I478-F559 PolarHBondContact O-N 3.25Å; I478-F559 VanDerWaalsContact O-N 3.14Å; C480-F559 HydrophobicContact CB-CE1 4.17Å; L498-F559 HydrophobicContact CD2-CE1 4.09Å; L498-F559 HydrophobicContact CD2-CZ 4.03Å; I537-F559 HydrophobicContact CB-CD2 4.44Å; I537-F559 HydrophobicContact CD1-CD1 4.48Å; I537-F559 HydrophobicContact CD1-CD2 3.54Å; I537-F559 HydrophobicContact CD1-CE2 3.55Å; I537-F559 HydrophobicContact CD1-CG 4.03Å; I537-F559 HydrophobicContact CD1-CZ 4.07Å; I537-F559 HydrophobicContact CG1-CD2 3.56Å; I537-F559 HydrophobicContact CG1-CE2 3.9Å; I537-F559 HydrophobicContact CG1-CG 4.25Å; I537-F559 HydrophobicContact CG2-CB 3.56Å; I537-F559 HydrophobicContact CG2-CD2 4.11Å; I537-F559 HydrophobicContact CG2-CG 4.02Å; W540-F559 HydrophobicContact CE3-CB 4.12Å; W540-F559 AromaticContact CE3-CD1 3.85Å; W540-F559 HydrophobicContact CE3-CD1 3.85Å; W540-F559 HydrophobicContact CE3-CG 4.25Å; W540-F559 AromaticContact CZ3-CD1 3.65Å; W540-F559 HydrophobicContact CZ3-CD1 3.65Å; W540-F559 HydrophobicContact CZ3-CE1 4.06Å; W540-F559 HydrophobicContact CZ3-CG 4.45Å; A557-F559 HydrophobicContact CB-CD1 4.28Å; A557-F559 HydrophobicContact CB-CE1 4.16Å; F559-L561 HydrophobicContact CD2-CB 4.19Å; F559-L561 HydrophobicContact CE2-CB 4.05Å
560	E	96.4	Very high	90.2	Very high	19 Å²	19	33.3 Å²	33.3	9%	0.089	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.8	168.5	-70.3	173.6	-167.5	0	0	109.8	P475 Y477 I537 N538 N539 Y562	P475-E560 HydrophobicContact CB-CB 4.01Å; P475-E560 HydrophobicContact CB-CG 4.42Å; P475-E560 HydrophobicContact CG-CB 4.45Å; P475-E560 HydrophobicContact CG-CG 4.38Å; Y477-E560 HydrophobicContact CD1-CG 3.56Å; Y477-E560 HydrophobicContact CE1-CG 3.32Å; Y477-E560 WeakPolarHBondContact CE1-OE1 3.5Å; Y477-E560 HydrophobicContact CG-CG 4.48Å; I537-E560 CarbonylContact C-O 3.19Å; I537-E560 VanDerWaalsContact CA-O 3.27Å; I537-E560 WeakPolarHBondContact CA-O 3.41Å; N538-E560 HydrophobicContact CB-CB 4.24Å; N538-E560 PolarHBondContact N-O 2.98Å; N538-E560 PolarHBondContact O-N 3.37Å; N539-E560 HydrophobicContact CB-CG 4.35Å; N539-E560 PolarHBondContact ND2-OE1 3.2Å; N539-E560 PolarHBondContact ND2-OE2 2.99Å; E560-Y562 HydrophobicContact CB-CD2 4.35Å; E560-Y562 HydrophobicContact CB-CE2 3.68Å; E560-Y562 PolarHBondContact OE2-OH 3.1Å
561	L	95.7	Very high	89.6	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.6	175.5	-178.5	62.1	0	0	0	110.1	F437 L476 I478 L502 C535 I537 F559 L563	F437-L561 HydrophobicContact CG-CD2 4.33Å; L476-L561 HydrophobicContact CB-CB 4.37Å; L476-L561 PolarHBondContact N-O 3.03Å; L476-L561 PolarHBondContact O-N 3.35Å; I478-L561 HydrophobicContact CD1-CB 4.43Å; I478-L561 HydrophobicContact CD1-CD2 4.47Å; I478-L561 HydrophobicContact CG1-CB 3.88Å; I478-L561 HydrophobicContact CG1-CD2 4.4Å; L502-L561 HydrophobicContact CD1-CD1 3.86Å; L502-L561 HydrophobicContact CD2-CD1 4.27Å; L502-L561 HydrophobicContact CD2-CD2 4.15Å; C535-L561 HydrophobicContact CB-CD1 4.37Å; I537-L561 HydrophobicContact CG1-CD1 4.05Å; F559-L561 HydrophobicContact CD2-CB 4.19Å; F559-L561 HydrophobicContact CE2-CB 4.05Å; L561-L563 HydrophobicContact CD1-CD2 4.29Å; L561-L563 HydrophobicContact CD2-CD2 3.91Å; L561-L563 HydrophobicContact CD2-CG 4.34Å; L561-L563 HydrophobicContact CG-CD2 3.9Å; L561-L563 HydrophobicContact CG-CG 4.19Å
562	Y	92.7	Very high	88.7	Confident	35 Å²	35	24.9 Å²	24.9	14%	0.137	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114	174.9	-69.6	-100	0	0	0	109.1	F472 P475 C535 F536 N538 E560	F472-Y562 HydrophobicContact CB-CD1 4.36Å; P475-Y562 HydrophobicContact CB-CD1 4.14Å; P475-Y562 HydrophobicContact CB-CD2 4.09Å; P475-Y562 HydrophobicContact CB-CE1 3.82Å; P475-Y562 HydrophobicContact CB-CE2 3.74Å; P475-Y562 HydrophobicContact CB-CG 4.27Å; P475-Y562 HydrophobicContact CG-CE1 4.01Å; P475-Y562 HydrophobicContact CG-CE2 4.26Å; C535-Y562 VanDerWaalsContact CA-O 3.23Å; C535-Y562 WeakPolarHBondContact CA-O 3.26Å; C535-Y562 VanDerWaalsContact CB-O 3.24Å; C535-Y562 WeakPolarHBondContact CB-O 3.47Å; F536-Y562 AromaticContact CD2-CD2 3.96Å; F536-Y562 HydrophobicContact CD2-CD2 3.96Å; F536-Y562 HydrophobicContact CD2-CG 4.27Å; F536-Y562 HydrophobicContact CE1-CD1 4.32Å; F536-Y562 HydrophobicContact CE1-CD2 4.45Å; F536-Y562 AromaticContact CE1-CG 3.83Å; F536-Y562 HydrophobicContact CE1-CG 3.83Å; F536-Y562 HydrophobicContact CE2-CD1 4.24Å; F536-Y562 AromaticContact CE2-CD2 3.36Å; F536-Y562 HydrophobicContact CE2-CD2 3.36Å; F536-Y562 AromaticContact CE2-CE2 3.93Å; F536-Y562 HydrophobicContact CE2-CE2 3.93Å; F536-Y562 AromaticContact CE2-CG 3.55Å; F536-Y562 HydrophobicContact CE2-CG 3.55Å; F536-Y562 VanDerWaalsContact CZ-CB 3.44Å; F536-Y562 AromaticContact CZ-CD1 3.68Å; F536-Y562 HydrophobicContact CZ-CD1 3.68Å; F536-Y562 AromaticContact CZ-CD2 3.65Å; F536-Y562 HydrophobicContact CZ-CD2 3.65Å; F536-Y562 HydrophobicContact CZ-CE1 4.34Å; F536-Y562 HydrophobicContact CZ-CE2 4.33Å; F536-Y562 AromaticContact CZ-CG 3.29Å; F536-Y562 HydrophobicContact CZ-CG 3.29Å; F536-Y562 PolarHBondContact N-O 2.76Å; F536-Y562 PolarHBondContact O-N 2.83Å; N538-Y562 HydrophobicContact CB-CD2 4.43Å; N538-Y562 HydrophobicContact CB-CE2 3.78Å; E560-Y562 HydrophobicContact CB-CD2 4.35Å; E560-Y562 HydrophobicContact CB-CE2 3.68Å; E560-Y562 PolarHBondContact OE2-OH 3.1Å
563	L	90.8	Very high	87.3	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.129	C	C	.	.			trans	-101	131.3	179	-62.8	177.7	0	0	0	110.5	L393 Y396 F437 F472 L476 C535 L561 K565 W567 L568	L393-L563 HydrophobicContact CD2-CD1 4.04Å; Y396-L563 HydrophobicContact CE1-CD1 4.3Å; F437-L563 HydrophobicContact CB-CD1 4.31Å; F437-L563 HydrophobicContact CB-CD2 4.23Å; F437-L563 HydrophobicContact CD1-CD1 3.93Å; F472-L563 VanDerWaalsContact CD1-C 3.4Å; F472-L563 VanDerWaalsContact CD1-O 3.26Å; F472-L563 WeakPolarHBondContact CD1-O 3.43Å; L476-L563 HydrophobicContact CD1-CD1 3.76Å; C535-L563 HydrophobicContact CB-CD2 4Å; L561-L563 HydrophobicContact CD1-CD2 4.29Å; L561-L563 HydrophobicContact CD2-CD2 3.91Å; L561-L563 HydrophobicContact CD2-CG 4.34Å; L561-L563 HydrophobicContact CG-CD2 3.9Å; L561-L563 HydrophobicContact CG-CG 4.19Å; L563-K565 PolarHBondContact O-N 3.11Å; L563-W567 HydrophobicContact CD2-CE3 4.09Å; L563-W567 HydrophobicContact CD2-CZ3 4.17Å; L563-L568 HydrophobicContact CD1-CD2 4.37Å
564	P	87.5	Confident	85.5	Confident	4 Å²	4	28.6 Å²	28.6	3%	0.026	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-55.1	135.4	173.8	-25.3	34.3	0	0	0	111.1	F472 Q534 L566 W567	F472-P564 HydrophobicContact CE1-CB 4.42Å; F472-P564 HydrophobicContact CE1-CG 3.98Å; Q534-P564 WeakPolarHBondContact O-CG 3.44Å; P564-L566 PolarHBondContact O-N 3.33Å; P564-W567 HydrophobicContact CB-CD2 4.41Å; P564-W567 HydrophobicContact CB-CG 4.12Å; P564-W567 HydrophobicContact CG-CD2 4.01Å; P564-W567 HydrophobicContact CG-CG 4.25Å; P564-W567 HydrophobicContact CG-CZ2 4.3Å; P564-W567 WeakPolarHBondContact O-CB 3.38Å; P564-W567 PolarHBondContact O-N 2.65Å
565	K	84.3	Confident	83.2	Confident	64 Å²	64	32.2 Å²	32.2	28%	0.278	17%	0.167	S	C	.	.	H	α-helix	trans	-52.5	-41.5	178.9	-82	-179.5	-169.3	176.1	0	111.9	H469 Q470 K471 F472 I473 L563 W567 L568 F569	H469-K565 WeakPolarHBondContact O-CE 3.28Å; H469-K565 PolarHBondContact O-NZ 2.87Å; Q470-K565 WeakPolarHBondContact O-CD 3.25Å; Q470-K565 WeakPolarHBondContact O-CE 3.48Å; Q470-K565 PolarHBondContact O-NZ 3.07Å; K471-K565 WeakPolarHBondContact O-CB 3.25Å; K471-K565 WeakPolarHBondContact O-CG 3.13Å; K471-K565 PolarHBondContact O-N 2.86Å; F472-K565 VanDerWaalsContact O-CE 3.24Å; F472-K565 WeakPolarHBondContact O-CE 3.29Å; I473-K565 HydrophobicContact CG2-CD 4.32Å; I473-K565 HydrophobicContact CG2-CG 4.02Å; L563-K565 PolarHBondContact O-N 3.11Å; K565-W567 PolarHBondContact O-N 3.45Å; K565-L568 WeakPolarHBondContact O-CB 3.12Å; K565-L568 PolarHBondContact O-N 2.82Å; K565-F569 HydrophobicContact CB-CE2 4.48Å; K565-F569 WeakPolarHBondContact O-CD2 3.32Å
566	L	81.4	Confident	80.9	Confident	89 Å²	89	35.2 Å²	35.2	47%	0.466	19%	0.19	S	C	.	.	H	α-helix	trans	-55	-35.1	179	-72.5	165.7	0	0	0	112.9	I449 D533 P564 L568 F569	I449-L566 HydrophobicContact CD1-CD2 4.43Å; D533-L566 VanDerWaalsContact OD1-CD1 3.28Å; D533-L566 WeakPolarHBondContact OD1-CD1 3.13Å; P564-L566 PolarHBondContact O-N 3.33Å; L566-L568 VanDerWaalsContact C-N 3.26Å; L566-L568 PolarHBondContact O-N 2.89Å; L566-F569 PolarHBondContact O-N 3.05Å
567	W	83.9	Confident	78.4	Confident	18 Å²	18	36.8 Å²	36.8	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-30.1	178.8	-67.1	11.8	0	0	0	112.1	V438 P439 D533 C535 L563 P564 K565 F569 Y570 Y572	V438-W567 HydrophobicContact CB-CZ3 4.32Å; V438-W567 HydrophobicContact CG1-CH2 3.98Å; V438-W567 HydrophobicContact CG1-CZ3 4.05Å; V438-W567 HydrophobicContact CG2-CZ3 4.17Å; P439-W567 VanDerWaalsContact CD-CE3 3.49Å; P439-W567 HydrophobicContact CG-CB 3.58Å; P439-W567 HydrophobicContact CG-CD2 3.85Å; P439-W567 HydrophobicContact CG-CE3 4.44Å; P439-W567 HydrophobicContact CG-CG 3.45Å; P439-W567 VanDerWaalsContact CG-CG 3.45Å; D533-W567 VanDerWaalsContact O-CE2 3.29Å; D533-W567 WeakPolarHBondContact O-CZ2 3.28Å; D533-W567 PolarHBondContact O-NE1 2.68Å; D533-W567 VanDerWaalsContact O-NE1 3.1Å; C535-W567 HydrophobicContact CB-CH2 3.88Å; C535-W567 HydrophobicContact CB-CZ3 3.73Å; L563-W567 HydrophobicContact CD2-CE3 4.09Å; L563-W567 HydrophobicContact CD2-CZ3 4.17Å; P564-W567 HydrophobicContact CB-CD2 4.41Å; P564-W567 HydrophobicContact CB-CG 4.12Å; P564-W567 HydrophobicContact CG-CD2 4.01Å; P564-W567 HydrophobicContact CG-CG 4.25Å; P564-W567 HydrophobicContact CG-CZ2 4.3Å; P564-W567 WeakPolarHBondContact O-CB 3.38Å; P564-W567 PolarHBondContact O-N 2.65Å; K565-W567 PolarHBondContact O-N 3.45Å; W567-F569 VanDerWaalsContact C-N 3.26Å; W567-F569 PolarHBondContact O-N 2.91Å; W567-Y570 VanDerWaalsContact O-CB 3.29Å; W567-Y570 WeakPolarHBondContact O-CB 3.49Å; W567-Y570 PolarHBondContact O-N 3.17Å; W567-Y572 PolarHBondContact O-OH 3.39Å
568	L	82	Confident	75.7	Confident	10 Å²	10	44.4 Å²	44.4	5%	0.052	23%	0.232	C	C	.	.	H	α-helix	trans	-74.3	-18.9	178.4	-53.7	177.3	0	0	0	112.7	L393 Y396 R397 I473 L563 K565 L566 Y570	L393-L568 HydrophobicContact CD2-CD2 3.97Å; Y396-L568 HydrophobicContact CD1-CD1 4.26Å; Y396-L568 HydrophobicContact CD1-CD2 3.87Å; Y396-L568 HydrophobicContact CE1-CD1 3.94Å; Y396-L568 HydrophobicContact CE1-CD2 3.87Å; R397-L568 HydrophobicContact CB-CB 4.24Å; R397-L568 WeakPolarHBondContact CD-O 3.48Å; R397-L568 HydrophobicContact CG-CB 4.35Å; R397-L568 PolarHBondContact NH1-O 2.75Å; R397-L568 VanDerWaalsContact NH1-O 3.12Å; I473-L568 HydrophobicContact CD1-CD1 3.42Å; I473-L568 VanDerWaalsContact CD1-CD1 3.42Å; I473-L568 HydrophobicContact CG1-CD1 3.78Å; L563-L568 HydrophobicContact CD1-CD2 4.37Å; K565-L568 WeakPolarHBondContact O-CB 3.12Å; K565-L568 PolarHBondContact O-N 2.82Å; L566-L568 VanDerWaalsContact C-N 3.26Å; L566-L568 PolarHBondContact O-N 2.89Å; L568-Y570 VanDerWaalsContact C-N 3.32Å
569	F	77.8	Confident	72.5	Confident	60 Å²	60	53.3 Å²	53.3	26%	0.263	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-6.8	175	-66.8	-87.4	0	0	0	113.6	R397 I449 I450 K565 L566 W567 D571	R397-F569 VanDerWaalsContact CZ-CE1 3.47Å; I449-F569 HydrophobicContact CG2-CB 3.62Å; I449-F569 HydrophobicContact CG2-CG 4.45Å; I450-F569 PolarHBondContact N-O 2.91Å; K565-F569 HydrophobicContact CB-CE2 4.48Å; K565-F569 WeakPolarHBondContact O-CD2 3.32Å; L566-F569 PolarHBondContact O-N 3.05Å; W567-F569 VanDerWaalsContact C-N 3.26Å; W567-F569 PolarHBondContact O-N 2.91Å; F569-D571 PolarHBondContact O-N 3.4Å
570	Y	74.4	Confident	69.4	Low	11 Å²	11	58.1 Å²	58.1	4%	0.043	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-67.2	130.2	175.3	-174.4	-101.9	0	0	0	111.2	P439 P440 C443 N448 W567 L568 Y572	P439-Y570 HydrophobicContact CB-CD1 4.36Å; P439-Y570 HydrophobicContact CB-CD2 4.4Å; P439-Y570 HydrophobicContact CB-CG 4.11Å; P440-Y570 HydrophobicContact CG-CE1 3.97Å; C443-Y570 HydrophobicContact CB-CD2 4.48Å; C443-Y570 HydrophobicContact CB-CE2 3.39Å; C443-Y570 VanDerWaalsContact CB-OH 3.28Å; C443-Y570 WeakPolarHBondContact CB-OH 3.37Å; C443-Y570 PolarHBondContact SG-OH 2.99Å; C443-Y570 VanDerWaalsContact SG-OH 3.39Å; N448-Y570 HydrophobicContact CB-CD2 3.99Å; N448-Y570 HydrophobicContact CB-CE2 3.64Å; W567-Y570 VanDerWaalsContact O-CB 3.29Å; W567-Y570 WeakPolarHBondContact O-CB 3.49Å; W567-Y570 PolarHBondContact O-N 3.17Å; L568-Y570 VanDerWaalsContact C-N 3.32Å; Y570-Y572 AromaticContact CD1-CD1 3.67Å; Y570-Y572 HydrophobicContact CD1-CD1 3.67Å; Y570-Y572 AromaticContact CD1-CD2 4Å; Y570-Y572 HydrophobicContact CD1-CD2 4Å; Y570-Y572 AromaticContact CD1-CE1 3.76Å; Y570-Y572 HydrophobicContact CD1-CE1 3.76Å; Y570-Y572 HydrophobicContact CD1-CE2 4.06Å; Y570-Y572 AromaticContact CD1-CG 3.8Å; Y570-Y572 HydrophobicContact CD1-CG 3.8Å; Y570-Y572 AromaticContact CD1-CZ 3.96Å; Y570-Y572 HydrophobicContact CE1-CD1 4.05Å; Y570-Y572 HydrophobicContact CE1-CE1 4.39Å; Y570-Y572 HydrophobicContact CE1-CG 4.35Å; Y570-Y572 WeakPolarHBondContact O-CD2 3.28Å; Y570-Y572 PolarHBondContact O-N 3.06Å; Y570-Y572 VanDerWaalsContact O-N 3.11Å
571	D	73	Confident	66.5	Low	53 Å²	53	65 Å²	65	28%	0.283	32%	0.324	S	S	.	.			trans	-76.5	95.4	172.3	-174.9	7.8	0	0	0	111.2	N448 I450 F569 S573 N574	N448-D571 PolarHBondContact O-N 3.04Å; I450-D571 HydrophobicContact CD1-CB 3.83Å; I450-D571 HydrophobicContact CG1-CB 3.86Å; F569-D571 PolarHBondContact O-N 3.4Å; D571-S573 VanDerWaalsContact CG-OG 3.28Å; D571-S573 PolarHBondContact O-N 2.95Å; D571-S573 VanDerWaalsContact OD1-CB 3.28Å; D571-S573 WeakPolarHBondContact OD1-CB 3.47Å; D571-S573 PolarHBondContact OD1-N 3.33Å; D571-S573 PolarHBondContact OD1-OG 2.95Å; D571-S573 PolarHBondContact OD2-OG 3.02Å; D571-N574 PolarHBondContact O-N 3.36Å
572	Y	70.3	Confident	63.4	Low	18 Å²	18	70.8 Å²	70.8	7%	0.071	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.2	176.9	-65.5	-87.3	0	0	0	114.1	R389 L393 W567 Y570 N574	R389-Y572 HydrophobicContact CB-CD1 4.3Å; R389-Y572 HydrophobicContact CB-CG 4.16Å; R389-Y572 HydrophobicContact CG-CD1 3.71Å; R389-Y572 HydrophobicContact CG-CE1 4.39Å; R389-Y572 HydrophobicContact CG-CG 4.08Å; L393-Y572 HydrophobicContact CD1-CD2 4.27Å; L393-Y572 HydrophobicContact CD1-CE1 4.23Å; L393-Y572 HydrophobicContact CD1-CE2 3.72Å; W567-Y572 PolarHBondContact O-OH 3.39Å; Y570-Y572 AromaticContact CD1-CD1 3.67Å; Y570-Y572 HydrophobicContact CD1-CD1 3.67Å; Y570-Y572 AromaticContact CD1-CD2 4Å; Y570-Y572 HydrophobicContact CD1-CD2 4Å; Y570-Y572 AromaticContact CD1-CE1 3.76Å; Y570-Y572 HydrophobicContact CD1-CE1 3.76Å; Y570-Y572 HydrophobicContact CD1-CE2 4.06Å; Y570-Y572 AromaticContact CD1-CG 3.8Å; Y570-Y572 HydrophobicContact CD1-CG 3.8Å; Y570-Y572 AromaticContact CD1-CZ 3.96Å; Y570-Y572 HydrophobicContact CE1-CD1 4.05Å; Y570-Y572 HydrophobicContact CE1-CE1 4.39Å; Y570-Y572 HydrophobicContact CE1-CG 4.35Å; Y570-Y572 WeakPolarHBondContact O-CD2 3.28Å; Y570-Y572 PolarHBondContact O-N 3.06Å; Y570-Y572 VanDerWaalsContact O-N 3.11Å; Y572-N574 VanDerWaalsContact C-N 3.29Å
573	S	61.8	Low	60.3	Low	80 Å²	80	74.9 Å²	74.9	56%	0.559	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.7	178.6	76.3	0	0	0	0	113.3	D571 P575	D571-S573 VanDerWaalsContact CG-OG 3.28Å; D571-S573 PolarHBondContact O-N 2.95Å; D571-S573 VanDerWaalsContact OD1-CB 3.28Å; D571-S573 WeakPolarHBondContact OD1-CB 3.47Å; D571-S573 PolarHBondContact OD1-N 3.33Å; D571-S573 PolarHBondContact OD1-OG 2.95Å; D571-S573 PolarHBondContact OD2-OG 3.02Å; S573-P575 WeakPolarHBondContact O-CD 3.28Å
574	N	57.8	Low	57.4	Low	55 Å²	55	83 Å²	83	29%	0.294	43%	0.426	S	S	.	.			trans	-65.6	122.2	-176.1	-160.8	-22.9	0	0	0	111.5	D571 Y572 T576 V577	D571-N574 PolarHBondContact O-N 3.36Å; Y572-N574 VanDerWaalsContact C-N 3.29Å; N574-T576 PolarHBondContact O-N 3.22Å; N574-T576 PolarHBondContact OD1-OG1 3.43Å; N574-V577 PolarHBondContact O-N 3.46Å; N574-V577 VanDerWaalsContact O-N 3.17Å
575	P	48.7	Very low	54.6	Low	87 Å²	87	90.2 Å²	90.2	57%	0.565	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-63.8	-9.4	-170	20.8	-34.2	0	0	0	116.2	S573 V577 K578	S573-P575 WeakPolarHBondContact O-CD 3.28Å; P575-V577 PolarHBondContact O-N 3.37Å; P575-K578 PolarHBondContact O-N 3.15Å
576	T	47.4	Very low	51.9	Low	102 Å²	102	95.7 Å²	95.7	63%	0.626	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-54.4	-22.7	169.1	13.8	0	0	0	0	112.3	N574	N574-T576 PolarHBondContact O-N 3.22Å; N574-T576 PolarHBondContact OD1-OG1 3.43Å
577	V	45.7	Very low	49.4	Very low	32 Å²	32	99 Å²	99	19%	0.194	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-77.8	-26.4	174.5	-175	0	0	0	0	113.3	P440 N574 P575 R579	P440-V577 HydrophobicContact CG-CG2 3.73Å; N574-V577 PolarHBondContact O-N 3.46Å; N574-V577 VanDerWaalsContact O-N 3.17Å; P575-V577 PolarHBondContact O-N 3.37Å; V577-R579 PolarHBondContact O-N 3.13Å; V577-R579 VanDerWaalsContact O-N 3.14Å
578	K	41.9	Very low	46.9	Very low	160 Å²	160	106 Å²	106	70%	0.696	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-70.1	-10.8	-175.6	-72.4	-168.9	176.3	-174.4	0	114.2	P575	P575-K578 PolarHBondContact O-N 3.15Å
579	R	31.8	Very low	44.4	Very low	215 Å²	215	118.3 Å²	118.3	81%	0.811	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-92.8	-3.9	-165.9	-100.1	-176.3	177.7	177.6	0.1	117.6	V577 R581	V577-R579 PolarHBondContact O-N 3.13Å; V577-R579 VanDerWaalsContact O-N 3.14Å; R579-R581 VanDerWaalsContact C-N 3.34Å; R579-R581 PolarHBondContact O-N 3.29Å
580	S	32.2	Very low	42.7	Very low	108 Å²	108	121.2 Å²	121.2	76%	0.755	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	22.8	-173.9	78.2	0	0	0	0	116.1
581	R	36.8	Very low	41	Very low	163 Å²	163	127 Å²	127	62%	0.615	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	-0	-177.6	-93.6	-172	178.5	173	2	117.9	R579 T583	R579-R581 VanDerWaalsContact C-N 3.34Å; R579-R581 PolarHBondContact O-N 3.29Å; R581-T583 PolarHBondContact O-N 2.77Å
582	T	29	Very low	39.2	Very low	121 Å²	121	131.1 Å²	131.1	74%	0.742	67%	0.671	S	S	*	*	S	Bend	trans	-86.9	7.4	-179	40.6	0	0	0	0	115.9
583	T	28.8	Very low	37.4	Very low	121 Å²	121	137.8 Å²	137.8	74%	0.742	71%	0.706	S	S	*	*	S	Bend	trans	-122.1	2.9	-176	51.7	0	0	0	0	117.1	R581	R581-T583 PolarHBondContact O-N 2.77Å
584	E	29.1	Very low	35.9	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.804	72%	0.715	S	S	*	*	S	Bend	trans	-106.4	-9	177.6	-81	-174.7	162.1	0	0	115.2
585	N	28.8	Very low	34.4	Very low	156 Å²	156	147.1 Å²	147.1	83%	0.834	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	4.5	179.5	-85	-2.1	0	0	0	115.1
586	E	27.9	Very low	33.4	Very low	178 Å²	178	151.4 Å²	151.4	83%	0.832	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	13.7	178.6	-74.2	-171.6	169.6	0	0	114.4
587	L	27.8	Very low	32.3	Very low	160 Å²	160	155.2 Å²	155.2	84%	0.838	77%	0.766	S	S	*	*	S	Bend	trans	-117.7	21.1	177.8	-78	168.9	0	0	0	114.9
588	I	31.5	Very low	31.2	Very low	163 Å²	163	165.5 Å²	165.5	84%	0.836	81%	0.814	S	S	*	*			trans	-133.7	74.4	168.4	-47.6	177.7	0	0	0	108
589	E	29.3	Very low	30.3	Very low	269 Å²	269	166 Å²	166	100%	1.257	82%	0.824	S	S	*	*			trans	-92.3	0	152.3	-100.7	-171.4	166.3	0	0	109.6

Retrieved 589 of 589 residues in 119.7 ms (Link to these results)

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