A0A087XBZ9_POEFO Loading...

Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1

Subunit of the oligosaccharyl transferase (OST) complex that catalyzes the initial transfer of a defined glycan (Glc(3)Man(9)GlcNAc(2) in eukaryotes) from the lipid carrier dolichol-pyrophosphate to an asparagine residue within an Asn-X-Ser/Thr consensus motif in nascent polypeptide chains, the first step in protein N-glycosylation. N-glycosylation occurs cotranslationally and the complex associates with the Sec61 complex at the channel-forming translocon complex that mediates protein translocation across the endoplasmic reticulum (ER). All subunits are required for a maximal enzyme activity.

AlphaFold DB , UniProt , Accession A0A087XBZ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 604 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.4	Very low	41.4	Very low	234 Å²	234	140.5 Å²	140.5	100%	1.153	74%	0.742	S	S	*	*				0	132.4	0	-101.7	167.3	159.6	0	0	109
2	T	47.1	Very low	40.9	Very low	130 Å²	130	139.5 Å²	139.5	80%	0.798	74%	0.737	S	S	*	*			trans	59.5	94.6	154	57.9	0	0	0	0	119
3	R	41.8	Very low	40.4	Very low	245 Å²	245	139.5 Å²	139.5	93%	0.925	74%	0.736	S	S	*	*	S	Bend	trans	153.4	55.7	140	-86.5	-179.6	172.3	-171.8	-1.2	112.4
4	R	39.5	Very low	39.9	Very low	237 Å²	237	142 Å²	142	89%	0.894	74%	0.738	S	S	*	*	S	Bend	trans	-141.7	7	162.9	-81.5	-162.8	173.6	176.7	-2.9	114.9
5	S	43.1	Very low	39.6	Very low	112 Å²	112	140.6 Å²	140.6	78%	0.783	74%	0.738	S	S	*	*	S	Bend	trans	-105.5	1.7	-171.6	-35.1	0	0	0	0	114.8
6	A	42.1	Very low	39.1	Very low	77 Å²	77	136.8 Å²	136.8	64%	0.636	73%	0.733	S	S	*	*	S	Bend	trans	-98.2	-17.7	-175	0	0	0	0	0	114.4
7	F	38.7	Very low	38.8	Very low	178 Å²	178	133.4 Å²	133.4	78%	0.781	73%	0.728	S	S	*	*	H	α-helix	trans	-90.7	-19.4	-176.2	-116.1	-90.7	0	0	0	114.2
8	V	41.8	Very low	38.9	Very low	100 Å²	100	135.2 Å²	135.2	61%	0.606	74%	0.736	S	S	*	*	H	α-helix	trans	-83.9	-26.1	178.3	-179.7	0	0	0	0	111.6	L12	V8-L12 HydrophobicContact CG1-CD1 4.21Å; V8-L12 PolarHBondContact O-N 3.41Å
9	A	40.2	Very low	38.7	Very low	56 Å²	56	131.9 Å²	131.9	46%	0.463	72%	0.724	S	S	.	*	H	α-helix	trans	-75.7	-24.3	177.2	0	0	0	0	0	113.5
10	V	40.5	Very low	38.5	Very low	93 Å²	93	129.9 Å²	129.9	56%	0.564	72%	0.72	S	S	*	*	H	α-helix	trans	-82.6	-29.1	178.9	179	0	0	0	0	111.8
11	C	35.8	Very low	38.6	Very low	83 Å²	83	128.8 Å²	128.8	56%	0.561	71%	0.709	S	S	*	*	H	α-helix	trans	-79	-22.1	173.6	-73.3	0	0	0	0	113.8
12	L	35.4	Very low	38.5	Very low	129 Å²	129	121.5 Å²	121.5	68%	0.675	68%	0.678	S	S	*	*	H	α-helix	trans	-82.8	-14.5	174.1	-90.6	154.3	0	0	0	113.7	V8	V8-L12 HydrophobicContact CG1-CD1 4.21Å; V8-L12 PolarHBondContact O-N 3.41Å
13	L	34.2	Very low	38.3	Very low	140 Å²	140	118.8 Å²	118.8	73%	0.733	66%	0.664	S	S	*	*	S	Bend	trans	-91.8	-11	172.4	-88.5	157.1	0	0	0	113.6
14	F	34.5	Very low	38.8	Very low	174 Å²	174	108.6 Å²	108.6	76%	0.763	63%	0.632	S	S	*	*	S	Bend	trans	-100.9	-2.8	178.6	-114.9	-85.3	0	0	0	114.7
15	V	35.1	Very low	39.9	Very low	121 Å²	121	103.3 Å²	103.3	73%	0.733	62%	0.622	S	S	*	*	S	Bend	trans	-107.4	-5.5	178.1	-179.5	0	0	0	0	112.4
16	A	31.4	Very low	41.6	Very low	79 Å²	79	99.3 Å²	99.3	65%	0.653	60%	0.598	S	S	*	*	S	Bend	trans	-91	6.4	175.7	0	0	0	0	0	114.4
17	A	34.8	Very low	44	Very low	80 Å²	80	95.9 Å²	95.9	66%	0.661	57%	0.569	S	S	*	*	S	Bend	trans	-104.6	15.5	-176.3	0	0	0	0	0	114.4
18	L	39.3	Very low	46.6	Very low	165 Å²	165	88.4 Å²	88.4	86%	0.864	54%	0.538	S	S	*	.	S	Bend	trans	-127.1	48.6	-179.2	-89.4	162.8	0	0	0	111.5
19	S	35.4	Very low	49.2	Very low	73 Å²	73	83.8 Å²	83.8	51%	0.51	51%	0.51	S	S	.	.	S	Bend	trans	-172.9	70.7	169.5	57.6	0	0	0	0	110.7	Q99	S19-Q99 VanDerWaalsContact CB-NE2 3.28Å; S19-Q99 PolarHBondContact O-NE2 2.65Å; S19-Q99 PolarHBondContact O-OE1 3.33Å
20	S	35.8	Very low	51.8	Low	91 Å²	91	82.7 Å²	82.7	64%	0.636	50%	0.495	S	S	*	.			trans	-163.1	63	166	62.1	0	0	0	0	111	V22	S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 2.76Å
21	E	39.1	Very low	54.5	Low	107 Å²	107	80.4 Å²	80.4	50%	0.5	48%	0.48	S	S	.	.			trans	-89.6	69	167.4	-77.5	-163.2	157.1	0	0	110.2	K109	E21-K109 IonicContact OE1-NZ 3.11Å; E21-K109 PolarHBondContact OE1-NZ 3.36Å; E21-K109 VanDerWaalsContact OE1-NZ 3.13Å; E21-K109 IonicContact OE2-NZ 3.5Å
22	V	42.5	Very low	57.4	Low	82 Å²	82	76.4 Å²	76.4	50%	0.497	45%	0.453	S	S	.	.			trans	-134.3	71.8	145.9	-172	0	0	0	0	106.5	S20 I98	S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 2.76Å; V22-I98 HydrophobicContact CG2-CB 4.16Å; V22-I98 HydrophobicContact CG2-CG1 4.21Å; V22-I98 HydrophobicContact CG2-CG2 3.19Å
23	S	42.6	Very low	60.3	Low	73 Å²	73	75.7 Å²	75.7	51%	0.51	45%	0.445	S	S	.	.			trans	-148.3	87.3	157.2	-167.2	0	0	0	0	107.5	D25	S23-D25 PolarHBondContact O-N 2.88Å; S23-D25 VanDerWaalsContact OG-CB 3.23Å; S23-D25 WeakPolarHBondContact OG-CB 3.32Å; S23-D25 PolarHBondContact OG-N 3.41Å; S23-D25 PolarHBondContact OG-OD2 2.63Å; S23-D25 VanDerWaalsContact OG-OD2 3.08Å
24	A	52.4	Low	63.4	Low	31 Å²	31	69.4 Å²	69.4	26%	0.256	41%	0.411	S	S	.	.			trans	-85.9	75.8	141.7	0	0	0	0	0	105.1	G26 L27 Y161	A24-G26 PolarHBondContact O-N 3.25Å; A24-L27 HydrophobicContact CB-CB 4.06Å; A24-L27 HydrophobicContact CB-CD1 3.55Å; A24-L27 HydrophobicContact CB-CG 3.73Å; A24-L27 PolarHBondContact O-N 2.91Å; A24-Y161 HydrophobicContact CB-CE1 3.65Å
25	D	62.8	Low	66.4	Low	126 Å²	126	63.3 Å²	63.3	67%	0.674	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	104.4	178.4	-115.7	-29.4	0	0	0	108.2	S23 G55	S23-D25 PolarHBondContact O-N 2.88Å; S23-D25 VanDerWaalsContact OG-CB 3.23Å; S23-D25 WeakPolarHBondContact OG-CB 3.32Å; S23-D25 PolarHBondContact OG-N 3.41Å; S23-D25 PolarHBondContact OG-OD2 2.63Å; S23-D25 VanDerWaalsContact OG-OD2 3.08Å; D25-G55 VanDerWaalsContact O-CA 3.28Å; D25-G55 WeakPolarHBondContact O-CA 3.14Å
26	G	80.1	Confident	69.4	Low	28 Å²	28	57.7 Å²	57.7	29%	0.289	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	96	5.1	174.8	0	0	0	0	0	117.7	A24 H54	A24-G26 PolarHBondContact O-N 3.25Å; G26-H54 WeakPolarHBondContact O-CA 3.37Å; G26-H54 WeakPolarHBondContact O-CB 3.3Å; G26-H54 PolarHBondContact O-N 3.27Å
27	L	91.4	Very high	72.5	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	131.5	169.8	-73.5	-172.8	0	0	0	111.3	A24 L51 S52 N53 V59 F62 L116 Y161	A24-L27 HydrophobicContact CB-CB 4.06Å; A24-L27 HydrophobicContact CB-CD1 3.55Å; A24-L27 HydrophobicContact CB-CG 3.73Å; A24-L27 PolarHBondContact O-N 2.91Å; L27-L51 HydrophobicContact CB-CD1 4.32Å; L27-L51 HydrophobicContact CD1-CD1 4.41Å; L27-L51 HydrophobicContact CD1-CD2 4.37Å; L27-L51 HydrophobicContact CD2-CD1 4.39Å; L27-L51 HydrophobicContact CD2-CD2 4.43Å; L27-L51 HydrophobicContact CD2-CG 4.3Å; L27-S52 WeakPolarHBondContact CA-O 3.4Å; L27-N53 HydrophobicContact CD2-CB 3.97Å; L27-V59 HydrophobicContact CD1-CG1 4.19Å; L27-V59 HydrophobicContact CD2-CG2 4.43Å; L27-F62 HydrophobicContact CD1-CB 3.94Å; L27-L116 HydrophobicContact CD2-CD2 4.32Å; L27-Y161 HydrophobicContact CB-CD1 3.84Å; L27-Y161 HydrophobicContact CB-CE1 3.91Å; L27-Y161 HydrophobicContact CB-CG 4.31Å; L27-Y161 HydrophobicContact CD1-CE1 4.14Å; L27-Y161 HydrophobicContact CD1-CE2 4.42Å
28	V	93.9	Very high	75.6	Confident	21 Å²	21	51.5 Å²	51.5	13%	0.127	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.1	-179.4	-178.5	0	0	0	0	109.5	E30 S52 P162 R164	V28-E30 PolarHBondContact O-N 3.37Å; V28-S52 PolarHBondContact N-O 3.41Å; V28-S52 PolarHBondContact O-N 2.87Å; V28-S52 PolarHBondContact O-OG 3.21Å; V28-P162 HydrophobicContact CG1-CG 4.39Å; V28-P162 HydrophobicContact CG2-CG 4.12Å; V28-R164 HydrophobicContact CG1-CG 4.05Å
29	N	95.4	Very high	78.3	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	107	169	-56	-32	0	0	0	108.3	V32 I49 S159 P162 T163 R164	N29-V32 HydrophobicContact CB-CG2 3.75Å; N29-I49 HydrophobicContact CB-CG2 4.19Å; N29-I49 WeakPolarHBondContact OD1-CG2 3.46Å; N29-S159 PolarHBondContact ND2-OG 2.81Å; N29-P162 PolarHBondContact N-O 2.96Å; N29-T163 HydrophobicContact CB-CG2 4.04Å; N29-T163 PolarHBondContact ND2-OG1 2.9Å; N29-T163 CarbonylContact O-C 3.53Å; N29-T163 WeakPolarHBondContact O-CA 3.34Å; N29-R164 PolarHBondContact O-N 3.36Å
30	E	95.4	Very high	81.2	Confident	33 Å²	33	42.3 Å²	42.3	15%	0.154	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-47.8	-178.6	-66.2	-68	165.9	0	0	111.7	V28 V50 S52 H54 R164 S165	V28-E30 PolarHBondContact O-N 3.37Å; E30-V50 HydrophobicContact CB-CB 4.3Å; E30-V50 HydrophobicContact CB-CG1 4.2Å; E30-V50 PolarHBondContact N-O 2.99Å; E30-S52 VanDerWaalsContact CG-OG 3.28Å; E30-S52 WeakPolarHBondContact CG-OG 3.43Å; E30-S52 WeakPolarHBondContact OE1-CB 3.16Å; E30-S52 PolarHBondContact OE1-OG 2.77Å; E30-H54 IonicContact OE1-CD2 3.2Å; E30-H54 IonicContact OE1-CE1 2.84Å; E30-H54 IonicContact OE1-NE2 3.61Å; E30-H54 PolarHBondContact OE1-NE2 3.35Å; E30-R164 VanDerWaalsContact OE2-CD 3.25Å; E30-R164 WeakPolarHBondContact OE2-CD 3.48Å; E30-R164 IonicContact OE2-CZ 3.84Å; E30-R164 IonicContact OE2-NE 2.91Å; E30-R164 IonicContact OE2-NH1 2.67Å; E30-S165 PolarHBondContact O-N 2.65Å
31	D	96.4	Very high	84.1	Confident	44 Å²	44	38.7 Å²	38.7	24%	0.235	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	131.6	178	-170.1	45.7	0	0	0	109.5	K33 V50 S165	D31-K33 VanDerWaalsContact OD2-CE 3.3Å; D31-K33 WeakPolarHBondContact OD2-CE 3.33Å; D31-V50 HydrophobicContact CB-CB 4.34Å; D31-V50 HydrophobicContact CB-CG2 4.06Å; D31-V50 PolarHBondContact O-N 3.28Å; D31-S165 CarbonylContact C-O 3.54Å; D31-S165 WeakPolarHBondContact CA-O 3.35Å; D31-S165 PolarHBondContact OD1-OG 2.86Å
32	V	97.3	Very high	86.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.6	178.3	176	0	0	0	0	108.9	N29 R34 E48 I49 L157 T163 S165 Q166 T167	N29-V32 HydrophobicContact CB-CG2 3.75Å; V32-R34 HydrophobicContact CG1-CB 4.47Å; V32-E48 WeakPolarHBondContact CA-O 3.19Å; V32-I49 HydrophobicContact CG2-CG1 4.4Å; V32-I49 HydrophobicContact CG2-CG2 4.33Å; V32-L157 HydrophobicContact CG1-CB 4.15Å; V32-L157 HydrophobicContact CG1-CD2 3.69Å; V32-L157 HydrophobicContact CG1-CG 4.44Å; V32-L157 HydrophobicContact CG2-CD2 3.99Å; V32-T163 HydrophobicContact CB-CG2 4.12Å; V32-T163 HydrophobicContact CG2-CG2 3.58Å; V32-S165 PolarHBondContact N-O 2.83Å; V32-Q166 HydrophobicContact CB-CB 4.32Å; V32-Q166 HydrophobicContact CB-CG 4.13Å; V32-Q166 HydrophobicContact CG1-CG 4.09Å; V32-Q166 WeakPolarHBondContact O-CA 3.43Å; V32-T167 PolarHBondContact O-N 3.35Å
33	K	97.4	Very high	89.4	Confident	114 Å²	114	29.8 Å²	29.8	50%	0.496	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	101.8	170.6	-63.3	179.5	-175.1	176.4	0	108.8	D31 A47 E48	D31-K33 VanDerWaalsContact OD2-CE 3.3Å; D31-K33 WeakPolarHBondContact OD2-CE 3.33Å; K33-A47 WeakPolarHBondContact O-CA 3.48Å; K33-E48 HydrophobicContact CB-CB 4.34Å; K33-E48 PolarHBondContact N-O 3.09Å; K33-E48 PolarHBondContact O-N 2.9Å
34	R	97.4	Very high	92.1	Very high	8 Å²	8	28.4 Å²	28.4	3%	0.03	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.1	-179.5	-171.7	177.9	68.2	157.7	8.5	110.1	V32 V36 I45 T46 A47 N154 H155 Y156 T167 T168 R169	V32-R34 HydrophobicContact CG1-CB 4.47Å; R34-V36 HydrophobicContact CG-CG2 4.37Å; R34-I45 HydrophobicContact CG-CG2 4.05Å; R34-T46 CarbonylContact C-O 3.43Å; R34-T46 WeakPolarHBondContact CA-O 3.12Å; R34-A47 HydrophobicContact CB-CB 4.48Å; R34-A47 HydrophobicContact CG-CB 4.42Å; R34-N154 VanDerWaalsContact CZ-O 3.24Å; R34-N154 PolarHBondContact NH1-O 2.93Å; R34-N154 PolarHBondContact NH2-O 2.77Å; R34-H155 PolarHBondContact NH2-O 3.43Å; R34-Y156 PolarHBondContact NH1-O 2.85Å; R34-T167 PolarHBondContact N-O 3.24Å; R34-T168 PolarHBondContact NE-OG1 2.85Å; R34-T168 VanDerWaalsContact NH2-CG2 3.27Å; R34-T168 PolarHBondContact NH2-OG1 2.88Å; R34-T168 CarbonylContact O-C 3.57Å; R34-T168 VanDerWaalsContact O-CA 3.29Å; R34-T168 WeakPolarHBondContact O-CA 3.3Å; R34-R169 PolarHBondContact O-N 3.31Å
35	T	98	Very high	94.2	Very high	46 Å²	46	27.8 Å²	27.8	28%	0.282	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.3	170.6	-54.5	0	0	0	0	109.5	I45 T46 R169	T35-I45 WeakPolarHBondContact O-CA 3.47Å; T35-T46 WeakPolarHBondContact CB-OG1 3.23Å; T35-T46 PolarHBondContact N-O 2.7Å; T35-T46 PolarHBondContact O-N 2.79Å; T35-T46 PolarHBondContact O-OG1 3.32Å; T35-R169 CarbonylContact C-O 3.58Å; T35-R169 VanDerWaalsContact CA-O 3.27Å; T35-R169 WeakPolarHBondContact CA-O 3.44Å
36	V	98.1	Very high	95.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	104.2	174	-177.4	0	0	0	0	107.1	R34 L38 I45 F151 T168 R169 V170 R171	R34-V36 HydrophobicContact CG-CG2 4.37Å; V36-L38 HydrophobicContact CG1-CD1 4.31Å; V36-L38 HydrophobicContact CG1-CD2 3.64Å; V36-L38 HydrophobicContact CG1-CG 3.88Å; V36-I45 HydrophobicContact CG1-CG1 4.24Å; V36-I45 HydrophobicContact CG2-CD1 4.49Å; V36-I45 HydrophobicContact CG2-CG1 4.3Å; V36-I45 HydrophobicContact CG2-CG2 4.39Å; V36-F151 HydrophobicContact CG1-CE1 4.05Å; V36-F151 HydrophobicContact CG1-CZ 4.24Å; V36-T168 HydrophobicContact CG2-CG2 4.31Å; V36-R169 PolarHBondContact N-O 3.21Å; V36-V170 HydrophobicContact CB-CG1 4.32Å; V36-V170 HydrophobicContact CB-CG2 4.29Å; V36-V170 HydrophobicContact CG1-CG1 4.45Å; V36-V170 CarbonylContact O-C 3.59Å; V36-V170 VanDerWaalsContact O-CA 3.3Å; V36-V170 WeakPolarHBondContact O-CA 3.47Å; V36-R171 PolarHBondContact O-N 2.82Å
37	D	98.1	Very high	96.6	Very high	30 Å²	30	22.1 Å²	22.1	16%	0.16	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	115.5	177.1	-163.4	-23.8	0	0	0	109.8	S39 K44 R171	D37-S39 WeakPolarHBondContact OD1-CB 3.45Å; D37-S39 PolarHBondContact OD1-N 2.98Å; D37-S39 PolarHBondContact OD1-OG 3.36Å; D37-K44 HydrophobicContact CB-CB 4.27Å; D37-K44 PolarHBondContact N-O 3.12Å; D37-K44 PolarHBondContact O-N 3.09Å; D37-R171 WeakPolarHBondContact OD2-CD 3.47Å; D37-R171 IonicContact OD2-NH1 3.35Å; D37-R171 PolarHBondContact OD2-NH1 2.79Å
38	L	97.9	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	23.9	179.4	-48.8	177	0	0	0	110.8	V36 T40 A43 L134 F151 V170 R171 L172 Y213	V36-L38 HydrophobicContact CG1-CD1 4.31Å; V36-L38 HydrophobicContact CG1-CD2 3.64Å; V36-L38 HydrophobicContact CG1-CG 3.88Å; L38-T40 VanDerWaalsContact C-N 3.29Å; L38-A43 HydrophobicContact CD2-CB 3.55Å; L38-L134 HydrophobicContact CD2-CD2 4.3Å; L38-F151 HydrophobicContact CD1-CB 3.73Å; L38-F151 HydrophobicContact CD1-CD1 3.6Å; L38-F151 HydrophobicContact CD1-CD2 4.41Å; L38-F151 HydrophobicContact CD1-CE1 4.32Å; L38-F151 HydrophobicContact CD1-CG 3.65Å; L38-F151 HydrophobicContact CD2-CD1 4.2Å; L38-F151 HydrophobicContact CD2-CD2 3.88Å; L38-F151 HydrophobicContact CD2-CE1 4.35Å; L38-F151 HydrophobicContact CD2-CE2 4.05Å; L38-F151 HydrophobicContact CD2-CG 3.95Å; L38-F151 HydrophobicContact CD2-CZ 4.28Å; L38-F151 HydrophobicContact CG-CG 4.48Å; L38-V170 HydrophobicContact CD1-CG1 3.71Å; L38-V170 HydrophobicContact CG-CG1 4.14Å; L38-R171 WeakPolarHBondContact CA-O 3.43Å; L38-R171 PolarHBondContact N-O 3.38Å; L38-L172 HydrophobicContact CD1-CD2 4.24Å; L38-Y213 HydrophobicContact CB-CE1 4.47Å; L38-Y213 VanDerWaalsContact CB-OH 3.31Å; L38-Y213 WeakPolarHBondContact CB-OH 3.07Å; L38-Y213 HydrophobicContact CD1-CE1 4.38Å; L38-Y213 PolarHBondContact O-OH 2.87Å
39	S	96.7	Very high	96.9	Very high	25 Å²	25	26.4 Å²	26.4	18%	0.175	13%	0.134	C	C	.	.	S	Bend	trans	-71.1	-24.1	179.9	57.9	0	0	0	0	113.4	D37 A173 T217	D37-S39 WeakPolarHBondContact OD1-CB 3.45Å; D37-S39 PolarHBondContact OD1-N 2.98Å; D37-S39 PolarHBondContact OD1-OG 3.36Å; S39-A173 VanDerWaalsContact O-CB 3.3Å; S39-A173 WeakPolarHBondContact O-CB 3.12Å; S39-T217 VanDerWaalsContact O-CG2 3.26Å; S39-T217 WeakPolarHBondContact O-CG2 3.34Å
40	T	96.6	Very high	96.9	Very high	20 Å²	20	27.4 Å²	27.4	12%	0.123	14%	0.14	C	C	.	.	S	Bend	trans	-108.5	-166.7	-179.3	75.1	0	0	0	0	110.6	L38 L42 L134 N215 D357	L38-T40 VanDerWaalsContact C-N 3.29Å; T40-L42 VanDerWaalsContact C-N 3.25Å; T40-L42 PolarHBondContact OG1-N 2.87Å; T40-L134 WeakPolarHBondContact O-CD1 3.31Å; T40-N215 PolarHBondContact O-ND2 3.35Å; T40-N215 VanDerWaalsContact O-ND2 3.07Å; T40-D357 VanDerWaalsContact CG2-OD2 3.27Å; T40-D357 WeakPolarHBondContact CG2-OD2 3.42Å
41	H	95.5	Very high	96.8	Very high	14 Å²	14	26 Å²	26	7%	0.065	13%	0.134	C	C	.	.	S	Bend	trans	-78.8	-8.4	172.1	68.5	39.8	0	0	0	113.3	P218 F219 L220 Y355 D357	H41-P218 PolarHBondContact CD2-O 3.03Å; H41-F219 HydrophobicContact CB-CB 4.44Å; H41-F219 HydrophobicContact CB-CD1 3.86Å; H41-F219 HydrophobicContact CB-CD2 3.77Å; H41-F219 HydrophobicContact CB-CE1 3.97Å; H41-F219 HydrophobicContact CB-CE2 3.9Å; H41-F219 HydrophobicContact CB-CG 3.77Å; H41-F219 HydrophobicContact CB-CZ 3.99Å; H41-L220 PolarHBondContact CD2-O 2.83Å; H41-L220 PolarHBondContact NE2-O 2.87Å; H41-L220 VanDerWaalsContact NE2-O 3.14Å; H41-Y355 AromaticContact NE2-CE2 3.8Å; H41-D357 PolarHBondContact CE1-O 3.48Å; H41-D357 PolarHBondContact NE2-O 2.98Å
42	L	97.2	Very high	96.7	Very high	3 Å²	3	24 Å²	24	2%	0.016	12%	0.123	C	C	.	.	S	Bend	trans	-95.5	154.8	175.3	-61	175.9	0	0	0	110.1	T40 K44 D357 V359 V414	T40-L42 VanDerWaalsContact C-N 3.25Å; T40-L42 PolarHBondContact OG1-N 2.87Å; L42-K44 HydrophobicContact CB-CG 4.46Å; L42-D357 HydrophobicContact CD1-CB 4.41Å; L42-V359 HydrophobicContact CD2-CB 4.29Å; L42-V414 HydrophobicContact CD1-CG1 4.24Å; L42-V414 HydrophobicContact CD2-CG1 4.4Å
43	A	97.6	Very high	96.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.6	161.8	0	0	0	0	0	109.2	L38 F130 V133 F151	L38-A43 HydrophobicContact CD2-CB 3.55Å; A43-F130 HydrophobicContact CB-CB 4.36Å; A43-F130 PolarHBondContact N-O 2.78Å; A43-F130 PolarHBondContact O-N 2.89Å; A43-V133 HydrophobicContact CB-CG2 3.47Å; A43-V133 VanDerWaalsContact CB-CG2 3.47Å; A43-F151 HydrophobicContact CB-CD2 4.31Å; A43-F151 HydrophobicContact CB-CE2 3.75Å; A43-F151 HydrophobicContact CB-CZ 4.43Å
44	K	97.8	Very high	96.1	Very high	44 Å²	44	23.5 Å²	23.5	19%	0.191	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.4	177.2	-54.7	176.7	-176.3	177.7	0	108.6	D37 L42 M129 D357	D37-K44 HydrophobicContact CB-CB 4.27Å; D37-K44 PolarHBondContact N-O 3.12Å; D37-K44 PolarHBondContact O-N 3.09Å; L42-K44 HydrophobicContact CB-CG 4.46Å; K44-M129 HydrophobicContact CD-CE 4.08Å; K44-M129 HydrophobicContact CD-SD 4.35Å; K44-M129 HydrophobicContact CG-CE 4.19Å; K44-M129 HydrophobicContact CG-CG 4.37Å; K44-M129 HydrophobicContact CG-SD 4.07Å; K44-D357 VanDerWaalsContact CE-OD1 3.27Å; K44-D357 WeakPolarHBondContact CE-OD1 3.43Å; K44-D357 IonicContact NZ-OD1 2.72Å; K44-D357 PolarHBondContact NZ-OD1 2.83Å
45	I	97.3	Very high	95.5	Very high	18 Å²	18	23.7 Å²	23.7	9%	0.092	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	116	179.5	-54.8	-172.2	0	0	0	108.1	R34 T35 V36 L70 E127 M128 F130	R34-I45 HydrophobicContact CG-CG2 4.05Å; T35-I45 WeakPolarHBondContact O-CA 3.47Å; V36-I45 HydrophobicContact CG1-CG1 4.24Å; V36-I45 HydrophobicContact CG2-CD1 4.49Å; V36-I45 HydrophobicContact CG2-CG1 4.3Å; V36-I45 HydrophobicContact CG2-CG2 4.39Å; I45-L70 HydrophobicContact CD1-CD1 4.23Å; I45-E127 CarbonylContact O-C 3.59Å; I45-E127 WeakPolarHBondContact O-CA 3.28Å; I45-M128 HydrophobicContact CB-CB 4.5Å; I45-M128 PolarHBondContact N-O 3.13Å; I45-M128 PolarHBondContact O-N 2.82Å; I45-F130 HydrophobicContact CB-CE2 4.29Å; I45-F130 HydrophobicContact CD1-CD2 4.09Å; I45-F130 HydrophobicContact CD1-CE2 3.67Å; I45-F130 HydrophobicContact CG1-CD2 4.19Å; I45-F130 HydrophobicContact CG1-CE2 3.94Å
46	T	97.1	Very high	94.8	Very high	34 Å²	34	31.2 Å²	31.2	21%	0.209	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.9	172	58.2	0	0	0	0	109.3	R34 T35 T126 E127	R34-T46 CarbonylContact C-O 3.43Å; R34-T46 WeakPolarHBondContact CA-O 3.12Å; T35-T46 WeakPolarHBondContact CB-OG1 3.23Å; T35-T46 PolarHBondContact N-O 2.7Å; T35-T46 PolarHBondContact O-N 2.79Å; T35-T46 PolarHBondContact O-OG1 3.32Å; T46-T126 CarbonylContact C-O 3.59Å; T46-T126 VanDerWaalsContact CA-O 3.23Å; T46-T126 WeakPolarHBondContact CA-O 3.34Å; T46-E127 HydrophobicContact CG2-CB 4.38Å; T46-E127 HydrophobicContact CG2-CG 4.17Å
47	A	96.4	Very high	94.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.2	172.9	0	0	0	0	0	110.5	K33 R34 I49 K125 T126 L157	K33-A47 WeakPolarHBondContact O-CA 3.48Å; R34-A47 HydrophobicContact CB-CB 4.48Å; R34-A47 HydrophobicContact CG-CB 4.42Å; A47-I49 HydrophobicContact CB-CD1 4.4Å; A47-I49 HydrophobicContact CB-CG1 4.16Å; A47-K125 WeakPolarHBondContact O-CA 3.42Å; A47-T126 WeakPolarHBondContact CB-OG1 3.33Å; A47-T126 PolarHBondContact N-O 3.25Å; A47-T126 PolarHBondContact O-N 2.92Å; A47-T126 PolarHBondContact O-OG1 2.88Å; A47-L157 HydrophobicContact CB-CD1 4.32Å
48	E	96.3	Very high	93.7	Very high	105 Å²	105	36.9 Å²	36.9	49%	0.491	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.1	166.3	-61.1	-176.9	171.5	0	0	108	V32 K33 K125	V32-E48 WeakPolarHBondContact CA-O 3.19Å; K33-E48 HydrophobicContact CB-CB 4.34Å; K33-E48 PolarHBondContact N-O 3.09Å; K33-E48 PolarHBondContact O-N 2.9Å; E48-K125 HydrophobicContact CG-CG 4.5Å
49	I	95.4	Very high	93.3	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.8	-173.8	-56.2	170.8	0	0	0	108.3	N29 V32 A47 L51 K123 V124 T126 L157	N29-I49 HydrophobicContact CB-CG2 4.19Å; N29-I49 WeakPolarHBondContact OD1-CG2 3.46Å; V32-I49 HydrophobicContact CG2-CG1 4.4Å; V32-I49 HydrophobicContact CG2-CG2 4.33Å; A47-I49 HydrophobicContact CB-CD1 4.4Å; A47-I49 HydrophobicContact CB-CG1 4.16Å; I49-L51 HydrophobicContact CG2-CB 4.48Å; I49-L51 PolarHBondContact O-N 3.49Å; I49-K123 WeakPolarHBondContact O-CA 3.44Å; I49-V124 PolarHBondContact N-O 3.1Å; I49-V124 PolarHBondContact O-N 2.97Å; I49-T126 HydrophobicContact CD1-CG2 4.19Å; I49-L157 HydrophobicContact CD1-CD2 3.88Å; I49-L157 HydrophobicContact CG1-CD2 4.22Å
50	V	95.4	Very high	92.9	Very high	25 Å²	25	42.2 Å²	42.2	15%	0.152	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	94.7	166.5	-173.8	0	0	0	0	107.7	E30 D31 K123	E30-V50 HydrophobicContact CB-CB 4.3Å; E30-V50 HydrophobicContact CB-CG1 4.2Å; E30-V50 PolarHBondContact N-O 2.99Å; D31-V50 HydrophobicContact CB-CB 4.34Å; D31-V50 HydrophobicContact CB-CG2 4.06Å; D31-V50 PolarHBondContact O-N 3.28Å; V50-K123 HydrophobicContact CG2-CG 4.29Å
51	L	93.4	Very high	92.7	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126	-179.2	-173.7	68	0	0	0	109.7	L27 I49 F62 L116 Q121 L122	L27-L51 HydrophobicContact CB-CD1 4.32Å; L27-L51 HydrophobicContact CD1-CD1 4.41Å; L27-L51 HydrophobicContact CD1-CD2 4.37Å; L27-L51 HydrophobicContact CD2-CD1 4.39Å; L27-L51 HydrophobicContact CD2-CD2 4.43Å; L27-L51 HydrophobicContact CD2-CG 4.3Å; I49-L51 HydrophobicContact CG2-CB 4.48Å; I49-L51 PolarHBondContact O-N 3.49Å; L51-F62 HydrophobicContact CD2-CB 3.92Å; L51-F62 HydrophobicContact CD2-CD1 4.17Å; L51-F62 HydrophobicContact CD2-CG 4.02Å; L51-L116 HydrophobicContact CD2-CD2 4.35Å; L51-L116 HydrophobicContact CG-CD2 4.42Å; L51-Q121 CarbonylContact O-C 3.59Å; L51-Q121 VanDerWaalsContact O-CA 3.28Å; L51-Q121 WeakPolarHBondContact O-CA 3.38Å; L51-L122 PolarHBondContact N-O 3.36Å; L51-L122 PolarHBondContact O-N 3.47Å
52	S	93.2	Very high	92.5	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144	175.2	66.3	0	0	0	0	111.3	L27 V28 E30 H54	L27-S52 WeakPolarHBondContact CA-O 3.4Å; V28-S52 PolarHBondContact N-O 3.41Å; V28-S52 PolarHBondContact O-N 2.87Å; V28-S52 PolarHBondContact O-OG 3.21Å; E30-S52 VanDerWaalsContact CG-OG 3.28Å; E30-S52 WeakPolarHBondContact CG-OG 3.43Å; E30-S52 WeakPolarHBondContact OE1-CB 3.16Å; E30-S52 PolarHBondContact OE1-OG 2.77Å; S52-H54 PolarHBondContact OG-CD2 2.93Å; S52-H54 VanDerWaalsContact OG-CD2 3.24Å; S52-H54 PolarHBondContact OG-NE2 3.5Å; S52-H54 VanDerWaalsContact OG-NE2 3.1Å
53	N	93.3	Very high	92.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	102.9	174.7	-177.3	6.4	0	0	0	110.4	L27 G55 S57 L116 G119 A120	L27-N53 HydrophobicContact CD2-CB 3.97Å; N53-G55 WeakPolarHBondContact OD1-CA 3.38Å; N53-G55 PolarHBondContact OD1-N 3.34Å; N53-S57 PolarHBondContact ND2-O 3.04Å; N53-L116 HydrophobicContact CB-CD2 3.9Å; N53-L116 HydrophobicContact CB-CG 3.97Å; N53-L116 PolarHBondContact ND2-O 3.2Å; N53-G119 WeakPolarHBondContact O-CA 3.48Å; N53-G119 PolarHBondContact O-N 3.42Å; N53-A120 PolarHBondContact N-O 3.21Å; N53-A120 VanDerWaalsContact N-O 3.1Å
54	H	88.9	Confident	92	Very high	101 Å²	101	43.8 Å²	43.8	47%	0.468	23%	0.234	S	C	.	.			trans	-92.7	3.3	171.9	-67.1	-89.1	0	0	0	113.1	G26 E30 S52	G26-H54 WeakPolarHBondContact O-CA 3.37Å; G26-H54 WeakPolarHBondContact O-CB 3.3Å; G26-H54 PolarHBondContact O-N 3.27Å; E30-H54 IonicContact OE1-CD2 3.2Å; E30-H54 IonicContact OE1-CE1 2.84Å; E30-H54 IonicContact OE1-NE2 3.61Å; E30-H54 PolarHBondContact OE1-NE2 3.35Å; S52-H54 PolarHBondContact OG-CD2 2.93Å; S52-H54 VanDerWaalsContact OG-CD2 3.24Å; S52-H54 PolarHBondContact OG-NE2 3.5Å; S52-H54 VanDerWaalsContact OG-NE2 3.1Å
55	G	85.4	Confident	91.7	Very high	13 Å²	13	41.9 Å²	41.9	13%	0.134	23%	0.226	C	C	.	.	S	Bend	trans	-73.5	168.6	174.9	0	0	0	0	0	112.6	D25 N53 A118	D25-G55 VanDerWaalsContact O-CA 3.28Å; D25-G55 WeakPolarHBondContact O-CA 3.14Å; N53-G55 WeakPolarHBondContact OD1-CA 3.38Å; N53-G55 PolarHBondContact OD1-N 3.34Å; G55-A118 WeakPolarHBondContact O-CB 3.4Å
56	Q	82.6	Confident	91.5	Very high	203 Å²	203	41 Å²	41	95%	0.949	22%	0.222	S	C	*	.	S	Bend	trans	-83.9	-15.1	176.7	-63.9	-158.6	-0.6	0	0	113.8
57	S	86.4	Confident	91.1	Very high	77 Å²	77	40.6 Å²	40.6	54%	0.538	22%	0.219	S	C	.	.	S	Bend	trans	-114	155.6	-176.7	61.5	0	0	0	0	111.3	N53	N53-S57 PolarHBondContact ND2-O 3.04Å
58	S	87.4	Confident	90.7	Very high	74 Å²	74	42.5 Å²	42.5	52%	0.517	23%	0.234	S	C	.	.			trans	-73.2	143.9	172.9	53.9	0	0	0	0	110.8	L116	S58-L116 VanDerWaalsContact CA-O 3.26Å; S58-L116 WeakPolarHBondContact CA-O 3.37Å
59	V	88.8	Confident	90.3	Very high	20 Å²	20	44.5 Å²	44.5	12%	0.121	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133	-176.5	179.9	0	0	0	0	110.1	L27 S61 T115 L116	L27-V59 HydrophobicContact CD1-CG1 4.19Å; L27-V59 HydrophobicContact CD2-CG2 4.43Å; V59-S61 WeakPolarHBondContact CG1-O 3.22Å; V59-T115 CarbonylContact O-C 3.58Å; V59-L116 PolarHBondContact N-O 2.66Å; V59-L116 PolarHBondContact O-N 2.95Å
60	Q	89.6	Confident	90.2	Very high	118 Å²	118	44.3 Å²	44.3	55%	0.551	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	-8.6	179.8	-163.9	174.4	3.2	0	0	113.4	L112 T115	Q60-L112 WeakPolarHBondContact O-CB 3.35Å; Q60-L112 PolarHBondContact O-N 2.99Å; Q60-T115 HydrophobicContact CB-CG2 4.14Å; Q60-T115 HydrophobicContact CG-CG2 4.16Å
61	S	90.9	Very high	90	Very high	27 Å²	27	43.6 Å²	43.6	19%	0.189	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	149	-177.5	63.6	0	0	0	0	111.8	V59 K109 V110	V59-S61 WeakPolarHBondContact CG1-O 3.22Å; S61-K109 WeakPolarHBondContact OG-CE 3.49Å; S61-V110 CarbonylContact C-O 3.59Å; S61-V110 WeakPolarHBondContact CA-O 3.45Å; S61-V110 VanDerWaalsContact CB-O 3.3Å; S61-V110 WeakPolarHBondContact CB-O 3.42Å
62	F	91.3	Very high	90	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.039	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	164.8	169.7	73.9	-82.8	0	0	0	110.2	L27 L51 L64 L91 V110 L112 V124 Y161	L27-F62 HydrophobicContact CD1-CB 3.94Å; L51-F62 HydrophobicContact CD2-CB 3.92Å; L51-F62 HydrophobicContact CD2-CD1 4.17Å; L51-F62 HydrophobicContact CD2-CG 4.02Å; F62-L64 HydrophobicContact CE2-CB 4.43Å; F62-L91 HydrophobicContact CE1-CD1 4.29Å; F62-V110 HydrophobicContact CD1-CB 3.95Å; F62-V110 HydrophobicContact CD1-CG1 4.35Å; F62-V110 HydrophobicContact CE1-CB 3.47Å; F62-V110 VanDerWaalsContact CE1-CB 3.47Å; F62-V110 HydrophobicContact CE1-CG1 3.5Å; F62-V110 HydrophobicContact CE1-CG2 4.16Å; F62-V110 HydrophobicContact CE2-CB 4.16Å; F62-V110 HydrophobicContact CE2-CG2 3.97Å; F62-V110 HydrophobicContact CG-CB 4.48Å; F62-V110 HydrophobicContact CZ-CB 3.57Å; F62-V110 HydrophobicContact CZ-CG1 3.7Å; F62-V110 HydrophobicContact CZ-CG2 3.7Å; F62-V110 PolarHBondContact N-O 3.03Å; F62-V110 VanDerWaalsContact N-O 3.07Å; F62-V110 PolarHBondContact O-N 2.88Å; F62-L112 HydrophobicContact CD1-CD2 3.7Å; F62-L112 HydrophobicContact CD1-CG 4.33Å; F62-L112 HydrophobicContact CE1-CD2 3.82Å; F62-V124 HydrophobicContact CE1-CG1 4.05Å; F62-V124 HydrophobicContact CE1-CG2 4.22Å; F62-V124 HydrophobicContact CZ-CB 4.49Å; F62-V124 HydrophobicContact CZ-CG1 3.72Å; F62-Y161 HydrophobicContact CB-CE2 4.2Å
63	I	92.2	Very high	90.1	Very high	25 Å²	25	50.9 Å²	50.9	13%	0.128	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.5	-179.2	-58.7	171.5	0	0	0	109.4	I98 F107 Y108 P160 Y161	I63-I98 HydrophobicContact CD1-CD1 4.2Å; I63-I98 HydrophobicContact CD1-CG1 4.44Å; I63-I98 HydrophobicContact CG2-CD1 4.23Å; I63-F107 HydrophobicContact CG2-CB 4.02Å; I63-F107 HydrophobicContact CG2-CD1 4.24Å; I63-Y108 CarbonylContact C-O 3.56Å; I63-Y108 WeakPolarHBondContact CA-O 3.36Å; I63-P160 HydrophobicContact CB-CG 4.11Å; I63-P160 HydrophobicContact CG2-CG 4.32Å; I63-Y161 PolarHBondContact N-OH 3.01Å; I63-Y161 WeakPolarHBondContact O-CE2 3.47Å
64	L	92.8	Very high	90.1	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133.6	168.3	-170.7	58.9	0	0	0	108.7	F62 I77 F107 Y108 V110 T126 M128	F62-L64 HydrophobicContact CE2-CB 4.43Å; L64-I77 HydrophobicContact CD2-CD1 3.73Å; L64-I77 HydrophobicContact CD2-CG1 3.97Å; L64-I77 HydrophobicContact CG-CD1 4.33Å; L64-F107 WeakPolarHBondContact O-CA 3.33Å; L64-Y108 PolarHBondContact N-O 3.19Å; L64-Y108 PolarHBondContact O-N 3.14Å; L64-V110 HydrophobicContact CB-CG2 4.07Å; L64-T126 HydrophobicContact CD1-CG2 3.94Å; L64-T126 HydrophobicContact CD2-CG2 3.97Å; L64-M128 HydrophobicContact CD1-CE 3.65Å; L64-M128 HydrophobicContact CD2-CE 3.59Å; L64-M128 HydrophobicContact CG-CE 3.46Å; L64-M128 VanDerWaalsContact CG-CE 3.46Å
65	A	92.4	Very high	90.4	Very high	4 Å²	4	48 Å²	48	3%	0.033	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146.1	179.6	0	0	0	0	0	110.4	F107 Y158	A65-F107 HydrophobicContact CB-CD1 3.63Å; A65-F107 HydrophobicContact CB-CE1 3.62Å; A65-Y158 HydrophobicContact CB-CD1 3.7Å; A65-Y158 HydrophobicContact CB-CE1 4.07Å
66	V	92.3	Very high	90.9	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.4	175.1	-174.5	0	0	0	0	108.2	A68 A71 M74 I77 G105 E106 Y108 M128 F130	V66-A68 PolarHBondContact O-N 2.91Å; V66-A71 HydrophobicContact CG1-CB 4.04Å; V66-M74 HydrophobicContact CG1-SD 4.38Å; V66-M74 HydrophobicContact CG2-SD 3.88Å; V66-I77 HydrophobicContact CG2-CD1 4.07Å; V66-G105 WeakPolarHBondContact O-CA 3.14Å; V66-E106 PolarHBondContact N-O 2.81Å; V66-Y108 HydrophobicContact CG2-CD2 4.21Å; V66-Y108 HydrophobicContact CG2-CE2 3.97Å; V66-M128 HydrophobicContact CG2-CE 4.11Å; V66-M128 HydrophobicContact CG2-SD 4.25Å; V66-F130 HydrophobicContact CG1-CE1 3.83Å; V66-F130 HydrophobicContact CG1-CZ 4.04Å
67	D	88.8	Confident	91.5	Very high	25 Å²	25	41.4 Å²	41.4	13%	0.134	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	136.4	176.6	-70.3	-79.7	0	0	0	111	D69 L70 A71 N154 Y158	D67-D69 VanDerWaalsContact C-N 3.27Å; D67-D69 PolarHBondContact O-N 3.01Å; D67-L70 HydrophobicContact CB-CB 4.38Å; D67-L70 HydrophobicContact CB-CD1 4.37Å; D67-L70 HydrophobicContact CB-CG 4.4Å; D67-L70 PolarHBondContact O-N 3.04Å; D67-A71 PolarHBondContact O-N 3.38Å; D67-N154 WeakPolarHBondContact OD1-CB 3.33Å; D67-N154 PolarHBondContact OD1-ND2 3.45Å; D67-Y158 WeakPolarHBondContact OD1-CB 3.38Å
68	A	87.6	Confident	91.8	Very high	41 Å²	41	37.9 Å²	37.9	34%	0.339	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-41.1	-178.9	0	0	0	0	0	113.4	V66 L70 P72 R104	V66-A68 PolarHBondContact O-N 2.91Å; A68-L70 VanDerWaalsContact C-N 3.27Å; A68-L70 PolarHBondContact O-N 3.16Å; A68-P72 VanDerWaalsContact O-CD 3.28Å; A68-P72 WeakPolarHBondContact O-CD 3.38Å; A68-R104 WeakPolarHBondContact CB-O 3.41Å
69	D	88.2	Confident	92	Very high	147 Å²	147	34.6 Å²	34.6	79%	0.786	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-26.2	-177.4	-69.1	-21.4	0	0	0	112.6	D67	D67-D69 VanDerWaalsContact C-N 3.27Å; D67-D69 PolarHBondContact O-N 3.01Å
70	L	92.5	Very high	92.2	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.026	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-23.7	-177.9	-63.7	178.5	0	0	0	112.8	I45 D67 A68 P72 H73 M74 F130 V133	I45-L70 HydrophobicContact CD1-CD1 4.23Å; D67-L70 HydrophobicContact CB-CB 4.38Å; D67-L70 HydrophobicContact CB-CD1 4.37Å; D67-L70 HydrophobicContact CB-CG 4.4Å; D67-L70 PolarHBondContact O-N 3.04Å; A68-L70 VanDerWaalsContact C-N 3.27Å; A68-L70 PolarHBondContact O-N 3.16Å; L70-P72 VanDerWaalsContact C-CD 3.48Å; L70-H73 CarbonylContact O-C 3.55Å; L70-H73 WeakPolarHBondContact O-CA 3.32Å; L70-H73 WeakPolarHBondContact O-CB 3.3Å; L70-H73 PolarHBondContact O-N 2.8Å; L70-M74 PolarHBondContact O-N 3.18Å; L70-F130 HydrophobicContact CB-CD1 3.79Å; L70-F130 HydrophobicContact CB-CE1 3.6Å; L70-F130 HydrophobicContact CB-CG 4.47Å; L70-F130 HydrophobicContact CB-CZ 4.14Å; L70-F130 HydrophobicContact CD1-CE2 4.42Å; L70-F130 HydrophobicContact CD1-CZ 4.38Å; L70-F130 WeakPolarHBondContact O-CD1 3.37Å; L70-V133 HydrophobicContact CD2-CB 4.43Å; L70-V133 HydrophobicContact CD2-CG1 3.89Å
71	A	91.9	Very high	92.1	Very high	10 Å²	10	30 Å²	30	8%	0.083	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-52.4	-44.4	-176.8	0	0	0	0	0	114.3	V66 D67 H73 M74 E106	V66-A71 HydrophobicContact CG1-CB 4.04Å; D67-A71 PolarHBondContact O-N 3.38Å; A71-H73 PolarHBondContact O-N 3.3Å; A71-M74 WeakPolarHBondContact O-CB 3.41Å; A71-M74 PolarHBondContact O-N 2.88Å; A71-M74 VanDerWaalsContact O-N 3.14Å; A71-E106 HydrophobicContact CB-CB 4.4Å; A71-E106 HydrophobicContact CB-CG 3.98Å
72	P	92.8	Very high	91	Very high	100 Å²	100	36.2 Å²	36.2	65%	0.649	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-62.6	-18.3	178.1	-22.7	34.2	0	0	0	114.5	A68 L70	A68-P72 VanDerWaalsContact O-CD 3.28Å; A68-P72 WeakPolarHBondContact O-CD 3.38Å; L70-P72 VanDerWaalsContact C-CD 3.48Å
73	H	95.2	Very high	89.4	Confident	60 Å²	60	37.7 Å²	37.7	28%	0.278	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-105.3	1.2	-176	-71.8	-58.1	0	0	0	113	L70 A71 A75 F130 S131 V133	L70-H73 CarbonylContact O-C 3.55Å; L70-H73 WeakPolarHBondContact O-CA 3.32Å; L70-H73 WeakPolarHBondContact O-CB 3.3Å; L70-H73 PolarHBondContact O-N 2.8Å; A71-H73 PolarHBondContact O-N 3.3Å; H73-A75 PolarHBondContact O-N 3.36Å; H73-F130 WeakPolarHBondContact O-CA 3.41Å; H73-S131 WeakPolarHBondContact CB-O 3.14Å; H73-S131 PolarHBondContact O-N 2.92Å; H73-S131 PolarHBondContact O-OG 3.09Å; H73-V133 HydrophobicContact CB-CG1 3.53Å
74	M	95.2	Very high	87.3	Confident	29 Å²	29	45.4 Å²	45.4	14%	0.143	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	120.6	-179.1	-169.1	-169.9	64.2	0	0	110.7	V66 L70 A71 I77 Y108 F130 N412	V66-M74 HydrophobicContact CG1-SD 4.38Å; V66-M74 HydrophobicContact CG2-SD 3.88Å; L70-M74 PolarHBondContact O-N 3.18Å; A71-M74 WeakPolarHBondContact O-CB 3.41Å; A71-M74 PolarHBondContact O-N 2.88Å; A71-M74 VanDerWaalsContact O-N 3.14Å; M74-I77 HydrophobicContact CE-CB 4.5Å; M74-I77 HydrophobicContact CE-CG2 4.2Å; M74-I77 HydrophobicContact SD-CB 3.85Å; M74-I77 HydrophobicContact SD-CD1 4.19Å; M74-I77 HydrophobicContact SD-CG2 4.19Å; M74-Y108 HydrophobicContact CE-CE2 4.08Å; M74-Y108 WeakPolarHBondContact CE-OH 3.4Å; M74-Y108 HydrophobicContact SD-CE2 4.35Å; M74-F130 HydrophobicContact CB-CD1 3.92Å; M74-F130 HydrophobicContact CB-CE1 3.77Å; M74-F130 HydrophobicContact CG-CD1 4.3Å; M74-F130 HydrophobicContact CG-CE1 3.91Å; M74-N412 PolarHBondContact O-ND2 3.39Å
75	A	95.2	Very high	84.9	Confident	13 Å²	13	52.9 Å²	52.9	11%	0.107	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-44.5	175.4	0	0	0	0	0	111.3	H73 M129 N412 V414 H417	H73-A75 PolarHBondContact O-N 3.36Å; A75-M129 PolarHBondContact N-O 2.85Å; A75-N412 VanDerWaalsContact CA-ND2 3.29Å; A75-N412 WeakPolarHBondContact CA-ND2 3.34Å; A75-N412 PolarHBondContact N-ND2 3.2Å; A75-V414 HydrophobicContact CB-CB 4.46Å; A75-V414 HydrophobicContact CB-CG1 3.59Å; A75-V414 HydrophobicContact CB-CG2 4.04Å; A75-H417 PolarHBondContact O-CE1 2.86Å
76	Y	95	Very high	82.5	Confident	50 Å²	50	62.2 Å²	62.2	20%	0.196	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.6	-175.3	177.2	-98.3	0	0	0	111.2	E127 M128 M129 Q416	Y76-E127 HydrophobicContact CE1-CG 4.38Å; Y76-M128 WeakPolarHBondContact O-CA 3.25Å; Y76-M129 HydrophobicContact CD1-CG 4.41Å; Y76-M129 PolarHBondContact N-O 2.84Å; Y76-M129 PolarHBondContact O-N 2.66Å; Y76-Q416 HydrophobicContact CD1-CB 4.22Å; Y76-Q416 HydrophobicContact CD1-CG 4.15Å; Y76-Q416 HydrophobicContact CD2-CB 3.8Å; Y76-Q416 HydrophobicContact CE1-CB 4.34Å; Y76-Q416 HydrophobicContact CE1-CG 4.22Å; Y76-Q416 HydrophobicContact CE2-CB 3.94Å; Y76-Q416 HydrophobicContact CG-CB 3.95Å; Y76-Q416 HydrophobicContact CG-CG 4.34Å
77	I	94.3	Very high	80.1	Confident	26 Å²	26	70.3 Å²	70.3	13%	0.133	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	130.9	171	-171.7	171.3	0	0	0	109.2	L64 V66 M74 L93 Y108 E127 M128	L64-I77 HydrophobicContact CD2-CD1 3.73Å; L64-I77 HydrophobicContact CD2-CG1 3.97Å; L64-I77 HydrophobicContact CG-CD1 4.33Å; V66-I77 HydrophobicContact CG2-CD1 4.07Å; M74-I77 HydrophobicContact CE-CB 4.5Å; M74-I77 HydrophobicContact CE-CG2 4.2Å; M74-I77 HydrophobicContact SD-CB 3.85Å; M74-I77 HydrophobicContact SD-CD1 4.19Å; M74-I77 HydrophobicContact SD-CG2 4.19Å; I77-L93 HydrophobicContact CD1-CD2 4.13Å; I77-L93 HydrophobicContact CG1-CD2 3.86Å; I77-L93 HydrophobicContact CG2-CD2 4.29Å; I77-Y108 HydrophobicContact CD1-CD1 4.5Å; I77-Y108 HydrophobicContact CD1-CD2 3.4Å; I77-Y108 VanDerWaalsContact CD1-CD2 3.4Å; I77-Y108 HydrophobicContact CD1-CE2 3.79Å; I77-Y108 HydrophobicContact CD1-CG 3.81Å; I77-Y108 HydrophobicContact CG2-CD1 4.48Å; I77-Y108 HydrophobicContact CG2-CE1 4.27Å; I77-E127 CarbonylContact C-O 3.6Å; I77-E127 WeakPolarHBondContact CA-O 3.19Å; I77-M128 HydrophobicContact CD1-CE 4.13Å; I77-M128 HydrophobicContact CG1-CG 4.12Å
78	G	93.2	Very high	78.5	Confident	4 Å²	4	73.5 Å²	73.5	4%	0.041	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.3	-179.4	0	0	0	0	0	111.6	T126 E127	G78-T126 WeakPolarHBondContact O-CA 3.24Å; G78-E127 PolarHBondContact N-O 3.08Å; G78-E127 PolarHBondContact O-N 2.87Å
79	A	92.7	Very high	77.3	Confident	4 Å²	4	73.5 Å²	73.5	3%	0.033	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	141.5	173.1	0	0	0	0	0	109.5	L91 L93 V110 K125 T126	A79-L91 HydrophobicContact CB-CB 4.24Å; A79-L91 HydrophobicContact CB-CD1 4.14Å; A79-L91 HydrophobicContact CB-CG 4.5Å; A79-L91 PolarHBondContact O-N 2.77Å; A79-L93 HydrophobicContact CB-CD1 4.46Å; A79-V110 HydrophobicContact CB-CG1 3.84Å; A79-V110 HydrophobicContact CB-CG2 4.43Å; A79-K125 CarbonylContact C-O 3.5Å; A79-K125 WeakPolarHBondContact CA-O 3.08Å; A79-T126 HydrophobicContact CB-CG2 4.28Å
80	S	91.9	Very high	76.9	Confident	20 Å²	20	71.8 Å²	71.8	14%	0.14	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.9	177.8	62.5	0	0	0	0	111.4	G89 K125	S80-G89 WeakPolarHBondContact CA-O 3.36Å; S80-K125 PolarHBondContact N-O 3.04Å; S80-K125 PolarHBondContact O-N 2.8Å
81	V	87.1	Confident	76.4	Confident	22 Å²	22	72 Å²	72	13%	0.133	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	142.7	171.9	178.9	0	0	0	0	108.2	G83 G89 L91 L122	V81-G83 PolarHBondContact O-N 3.05Å; V81-G89 PolarHBondContact N-O 2.99Å; V81-L91 HydrophobicContact CG2-CD1 3.91Å; V81-L91 HydrophobicContact CG2-CD2 3.97Å; V81-L91 HydrophobicContact CG2-CG 4.27Å; V81-L122 HydrophobicContact CG1-CD1 3.78Å; V81-L122 HydrophobicContact CG2-CD2 4.31Å
82	K	68.4	Low	76	Confident	157 Å²	157	77.9 Å²	77.9	68%	0.683	41%	0.413	S	S	*	.			trans	-80.3	103.6	172.3	-160	168.5	-171.2	178	0	108.2
83	G	57.6	Low	75.8	Confident	41 Å²	41	75.5 Å²	75.5	42%	0.423	39%	0.394	S	S	.	.			trans	-78.3	168.8	169.3	0	0	0	0	0	111.5	V81 E85	V81-G83 PolarHBondContact O-N 3.05Å; G83-E85 PolarHBondContact O-N 3.08Å
84	D	47.9	Very low	75.3	Confident	186 Å²	186	77.6 Å²	77.6	100%	0.995	40%	0.404	S	S	*	.	S	Bend	trans	-73.2	-11.5	172.4	-73.2	-34.2	0	0	0	112.5
85	E	43.1	Very low	74.9	Confident	166 Å²	166	82.6 Å²	82.6	78%	0.776	43%	0.427	S	S	*	.	S	Bend	trans	-105.6	150	172.6	-64.4	-175.7	166.1	0	0	110.6	G83 E87	G83-E85 PolarHBondContact O-N 3.08Å; E85-E87 PolarHBondContact O-N 3.32Å
86	E	42.1	Very low	74.4	Confident	199 Å²	199	83.7 Å²	83.7	93%	0.93	43%	0.432	S	S	*	.	S	Bend	trans	-61.7	-6.6	-172.2	-68.4	-177.6	156.4	0	0	115	H88	E86-H88 PolarHBondContact O-N 3.26Å
87	E	42.6	Very low	73.8	Confident	172 Å²	172	85.2 Å²	85.2	80%	0.804	45%	0.45	S	S	*	.	S	Bend	trans	-87	102.3	172.1	-69.7	-171.2	174.1	0	0	111	E85 G89	E85-E87 PolarHBondContact O-N 3.32Å; E87-G89 PolarHBondContact O-N 3.44Å
88	H	54.8	Low	72.9	Confident	92 Å²	92	84.1 Å²	84.1	43%	0.426	44%	0.444	S	S	.	.			trans	-60.3	104	166.5	-75.4	-70.1	0	0	0	110	E86 T90	E86-H88 PolarHBondContact O-N 3.26Å; H88-T90 PolarHBondContact O-N 2.92Å
89	G	61.8	Low	71.6	Confident	40 Å²	40	89.7 Å²	89.7	41%	0.412	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	108.7	174.1	0	0	0	0	0	110.4	S80 V81 E87	S80-G89 WeakPolarHBondContact CA-O 3.36Å; V81-G89 PolarHBondContact N-O 2.99Å; E87-G89 PolarHBondContact O-N 3.44Å
90	T	79.4	Confident	70.3	Confident	112 Å²	112	93.2 Å²	93.2	69%	0.687	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	130.7	175.9	-59.6	0	0	0	0	108.4	H88	H88-T90 PolarHBondContact O-N 2.92Å
91	L	83.1	Confident	69.2	Low	10 Å²	10	94.6 Å²	94.6	5%	0.052	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-89.2	147.7	-178.9	-57.2	-176.8	0	0	0	110.4	F62 A79 V81 L93 V110 L112 P113 V124	F62-L91 HydrophobicContact CE1-CD1 4.29Å; A79-L91 HydrophobicContact CB-CB 4.24Å; A79-L91 HydrophobicContact CB-CD1 4.14Å; A79-L91 HydrophobicContact CB-CG 4.5Å; A79-L91 PolarHBondContact O-N 2.77Å; V81-L91 HydrophobicContact CG2-CD1 3.91Å; V81-L91 HydrophobicContact CG2-CD2 3.97Å; V81-L91 HydrophobicContact CG2-CG 4.27Å; L91-L93 VanDerWaalsContact O-CD1 3.24Å; L91-L93 WeakPolarHBondContact O-CD1 3.43Å; L91-V110 HydrophobicContact CB-CG1 3.54Å; L91-V110 HydrophobicContact CD1-CG1 3.43Å; L91-V110 VanDerWaalsContact CD1-CG1 3.43Å; L91-V110 HydrophobicContact CG-CG1 4.14Å; L91-L112 HydrophobicContact CD1-CD2 4.43Å; L91-P113 HydrophobicContact CD2-CG 3.53Å; L91-V124 HydrophobicContact CD1-CG1 4.29Å
92	E	83.8	Confident	67.9	Low	133 Å²	133	96.3 Å²	96.3	62%	0.621	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-75.4	131.5	172.5	-66.9	-175.1	176.1	0	0	110.4	V110 L111	E92-V110 WeakPolarHBondContact O-CA 3.39Å; E92-L111 HydrophobicContact CB-CD1 4.29Å; E92-L111 PolarHBondContact O-N 3.01Å
93	L	87	Confident	67.5	Low	50 Å²	50	95.7 Å²	95.7	26%	0.262	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.5	176.2	-66.8	95	0	0	0	110.4	I77 A79 L91 K109 V110	I77-L93 HydrophobicContact CD1-CD2 4.13Å; I77-L93 HydrophobicContact CG1-CD2 3.86Å; I77-L93 HydrophobicContact CG2-CD2 4.29Å; A79-L93 HydrophobicContact CB-CD1 4.46Å; L91-L93 VanDerWaalsContact O-CD1 3.24Å; L91-L93 WeakPolarHBondContact O-CD1 3.43Å; L93-K109 WeakPolarHBondContact CA-O 3.36Å; L93-V110 HydrophobicContact CD2-CG2 4.12Å; L93-V110 HydrophobicContact CG-CG2 4.15Å
94	Q	86.1	Confident	67.9	Low	103 Å²	103	101.3 Å²	101.3	48%	0.481	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.5	173.9	-64.1	-178.8	3.8	0	0	109.8	T96 Y108 K109	Q94-T96 PolarHBondContact O-N 3.05Å; Q94-Y108 CarbonylContact O-C 3.6Å; Q94-Y108 WeakPolarHBondContact O-CA 2.9Å; Q94-K109 PolarHBondContact N-O 3.17Å; Q94-K109 PolarHBondContact O-N 2.86Å
95	Q	85.3	Confident	69.1	Low	135 Å²	135	93 Å²	93	63%	0.631	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.4	175.9	-167.5	176.9	9.5	0	0	109.9	Y108	Q95-Y108 HydrophobicContact CB-CD1 4.24Å; Q95-Y108 HydrophobicContact CB-CE1 4.03Å; Q95-Y108 HydrophobicContact CG-CE1 4.16Å
96	T	85.1	Confident	71.2	Confident	35 Å²	35	88.2 Å²	88.2	22%	0.215	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	170.5	-179.6	-168.6	0	0	0	0	110.9	Q94 F107 K109	Q94-T96 PolarHBondContact O-N 3.05Å; T96-F107 HydrophobicContact CG2-CB 3.89Å; T96-F107 PolarHBondContact N-O 3.16Å; T96-K109 HydrophobicContact CG2-CB 4.14Å
97	S	81.6	Confident	73.5	Confident	82 Å²	82	78.9 Å²	78.9	57%	0.573	43%	0.433	S	S	*	.			trans	-128.1	127.8	-178.2	64.8	0	0	0	0	110.5	S102	S97-S102 WeakPolarHBondContact CB-OG 3.44Å
98	I	76.6	Confident	75.8	Confident	3 Å²	3	71.9 Å²	71.9	2%	0.015	40%	0.399	C	S	.	.			trans	-94.6	127.1	174.3	-69.4	179.7	0	0	0	110.1	V22 I63 G100 Q101 S102 F107 P160 F204	V22-I98 HydrophobicContact CG2-CB 4.16Å; V22-I98 HydrophobicContact CG2-CG1 4.21Å; V22-I98 HydrophobicContact CG2-CG2 3.19Å; I63-I98 HydrophobicContact CD1-CD1 4.2Å; I63-I98 HydrophobicContact CD1-CG1 4.44Å; I63-I98 HydrophobicContact CG2-CD1 4.23Å; I98-G100 PolarHBondContact O-N 2.73Å; I98-Q101 HydrophobicContact CB-CB 4.36Å; I98-Q101 HydrophobicContact CG2-CB 3.9Å; I98-Q101 HydrophobicContact CG2-CG 4.24Å; I98-Q101 PolarHBondContact O-N 3.36Å; I98-Q101 VanDerWaalsContact O-N 3.16Å; I98-S102 PolarHBondContact N-OG 2.89Å; I98-S102 VanDerWaalsContact N-OG 3.12Å; I98-S102 PolarHBondContact O-N 2.75Å; I98-S102 PolarHBondContact O-OG 3.5Å; I98-F107 HydrophobicContact CB-CD2 4.1Å; I98-F107 HydrophobicContact CB-CE2 4.04Å; I98-F107 HydrophobicContact CB-CZ 4.42Å; I98-F107 HydrophobicContact CD1-CD1 3.64Å; I98-F107 HydrophobicContact CD1-CD2 4.31Å; I98-F107 HydrophobicContact CD1-CE1 3.84Å; I98-F107 HydrophobicContact CD1-CE2 4.46Å; I98-F107 HydrophobicContact CD1-CG 3.89Å; I98-F107 HydrophobicContact CD1-CZ 4.24Å; I98-F107 HydrophobicContact CG1-CD1 4.29Å; I98-F107 HydrophobicContact CG1-CD2 4.1Å; I98-F107 HydrophobicContact CG1-CE2 4.42Å; I98-F107 HydrophobicContact CG1-CG 4.03Å; I98-P160 HydrophobicContact CD1-CB 4.46Å; I98-F204 HydrophobicContact CD1-CZ 4.17Å
99	Q	65.3	Low	77.6	Confident	121 Å²	121	69.7 Å²	69.7	57%	0.565	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	130.2	177	-73.2	-170.1	-15.6	0	0	112	S19 Q101	S19-Q99 VanDerWaalsContact CB-NE2 3.28Å; S19-Q99 PolarHBondContact O-NE2 2.65Å; S19-Q99 PolarHBondContact O-OE1 3.33Å; Q99-Q101 PolarHBondContact O-N 3.41Å
100	G	66.3	Low	79	Confident	78 Å²	78	67.8 Å²	67.8	80%	0.804	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-13.4	180	0	0	0	0	0	115.5	I98	I98-G100 PolarHBondContact O-N 2.73Å
101	Q	68.2	Low	79.5	Confident	49 Å²	49	64.8 Å²	64.8	23%	0.229	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-6.7	178.5	-60.4	-149.6	6.6	0	0	115.3	I98 Q99 V103 R104 F107 F204	I98-Q101 HydrophobicContact CB-CB 4.36Å; I98-Q101 HydrophobicContact CG2-CB 3.9Å; I98-Q101 HydrophobicContact CG2-CG 4.24Å; I98-Q101 PolarHBondContact O-N 3.36Å; I98-Q101 VanDerWaalsContact O-N 3.16Å; Q99-Q101 PolarHBondContact O-N 3.41Å; Q101-V103 PolarHBondContact O-N 2.72Å; Q101-R104 PolarHBondContact O-N 2.81Å; Q101-F107 HydrophobicContact CB-CE2 4.28Å; Q101-F107 HydrophobicContact CB-CZ 3.99Å; Q101-F107 WeakPolarHBondContact O-CE2 3.09Å; Q101-F204 VanDerWaalsContact CD-CE2 3.49Å; Q101-F204 VanDerWaalsContact OE1-CE2 3.31Å
102	S	59.7	Low	79.7	Confident	58 Å²	58	64.6 Å²	64.6	41%	0.406	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.4	176.8	-59.8	0	0	0	0	114.5	S97 I98	S97-S102 WeakPolarHBondContact CB-OG 3.44Å; I98-S102 PolarHBondContact N-OG 2.89Å; I98-S102 VanDerWaalsContact N-OG 3.12Å; I98-S102 PolarHBondContact O-N 2.75Å; I98-S102 PolarHBondContact O-OG 3.5Å
103	V	60.6	Low	79.8	Confident	144 Å²	144	62.9 Å²	62.9	87%	0.873	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-15.6	174.4	-174	0	0	0	0	111.8	Q101	Q101-V103 PolarHBondContact O-N 2.72Å
104	R	65.8	Low	79.7	Confident	160 Å²	160	64.7 Å²	64.7	60%	0.604	37%	0.365	S	S	*	.	S	Bend	trans	-111.6	5	-170.4	-64.5	-169.8	176.9	-165.6	-1.3	114.4	A68 Q101 Y158	A68-R104 WeakPolarHBondContact CB-O 3.41Å; Q101-R104 PolarHBondContact O-N 2.81Å; R104-Y158 PolarHBondContact O-OH 2.91Å
105	G	72.8	Confident	79.8	Confident	11 Å²	11	63.6 Å²	63.6	11%	0.113	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	169.2	178.4	0	0	0	0	0	112.2	V66 F107	V66-G105 WeakPolarHBondContact O-CA 3.14Å; G105-F107 WeakPolarHBondContact O-CE2 3.46Å
106	E	86.6	Confident	80	Confident	66 Å²	66	57.8 Å²	57.8	31%	0.308	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.9	171.5	-66.8	-170.7	179.4	0	0	110.1	V66 A71 Y108	V66-E106 PolarHBondContact N-O 2.81Å; A71-E106 HydrophobicContact CB-CB 4.4Å; A71-E106 HydrophobicContact CB-CG 3.98Å; E106-Y108 HydrophobicContact CB-CE2 4.06Å; E106-Y108 PolarHBondContact OE2-OH 3.46Å; E106-Y108 VanDerWaalsContact OE2-OH 3.05Å
107	F	90.9	Very high	80.2	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.009	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.7	-174.6	-54.9	-75.9	0	0	0	111.1	I63 L64 A65 T96 I98 Q101 G105 Y158 F204	I63-F107 HydrophobicContact CG2-CB 4.02Å; I63-F107 HydrophobicContact CG2-CD1 4.24Å; L64-F107 WeakPolarHBondContact O-CA 3.33Å; A65-F107 HydrophobicContact CB-CD1 3.63Å; A65-F107 HydrophobicContact CB-CE1 3.62Å; T96-F107 HydrophobicContact CG2-CB 3.89Å; T96-F107 PolarHBondContact N-O 3.16Å; I98-F107 HydrophobicContact CB-CD2 4.1Å; I98-F107 HydrophobicContact CB-CE2 4.04Å; I98-F107 HydrophobicContact CB-CZ 4.42Å; I98-F107 HydrophobicContact CD1-CD1 3.64Å; I98-F107 HydrophobicContact CD1-CD2 4.31Å; I98-F107 HydrophobicContact CD1-CE1 3.84Å; I98-F107 HydrophobicContact CD1-CE2 4.46Å; I98-F107 HydrophobicContact CD1-CG 3.89Å; I98-F107 HydrophobicContact CD1-CZ 4.24Å; I98-F107 HydrophobicContact CG1-CD1 4.29Å; I98-F107 HydrophobicContact CG1-CD2 4.1Å; I98-F107 HydrophobicContact CG1-CE2 4.42Å; I98-F107 HydrophobicContact CG1-CG 4.03Å; Q101-F107 HydrophobicContact CB-CE2 4.28Å; Q101-F107 HydrophobicContact CB-CZ 3.99Å; Q101-F107 WeakPolarHBondContact O-CE2 3.09Å; G105-F107 WeakPolarHBondContact O-CE2 3.46Å; F107-Y158 HydrophobicContact CE1-CE1 4.47Å; F107-F204 AromaticContact CE1-CE1 3.87Å; F107-F204 HydrophobicContact CE1-CE1 3.87Å; F107-F204 HydrophobicContact CZ-CE1 4.35Å
108	Y	91.4	Very high	80.6	Confident	25 Å²	25	57.2 Å²	57.2	10%	0.098	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	121	-179.1	-64	-91.6	0	0	0	109.8	I63 L64 V66 M74 I77 Q94 Q95 E106	I63-Y108 CarbonylContact C-O 3.56Å; I63-Y108 WeakPolarHBondContact CA-O 3.36Å; L64-Y108 PolarHBondContact N-O 3.19Å; L64-Y108 PolarHBondContact O-N 3.14Å; V66-Y108 HydrophobicContact CG2-CD2 4.21Å; V66-Y108 HydrophobicContact CG2-CE2 3.97Å; M74-Y108 HydrophobicContact CE-CE2 4.08Å; M74-Y108 WeakPolarHBondContact CE-OH 3.4Å; M74-Y108 HydrophobicContact SD-CE2 4.35Å; I77-Y108 HydrophobicContact CD1-CD1 4.5Å; I77-Y108 HydrophobicContact CD1-CD2 3.4Å; I77-Y108 VanDerWaalsContact CD1-CD2 3.4Å; I77-Y108 HydrophobicContact CD1-CE2 3.79Å; I77-Y108 HydrophobicContact CD1-CG 3.81Å; I77-Y108 HydrophobicContact CG2-CD1 4.48Å; I77-Y108 HydrophobicContact CG2-CE1 4.27Å; Q94-Y108 CarbonylContact O-C 3.6Å; Q94-Y108 WeakPolarHBondContact O-CA 2.9Å; Q95-Y108 HydrophobicContact CB-CD1 4.24Å; Q95-Y108 HydrophobicContact CB-CE1 4.03Å; Q95-Y108 HydrophobicContact CG-CE1 4.16Å; E106-Y108 HydrophobicContact CB-CE2 4.06Å; E106-Y108 PolarHBondContact OE2-OH 3.46Å; E106-Y108 VanDerWaalsContact OE2-OH 3.05Å
109	K	91.8	Very high	81.2	Confident	46 Å²	46	60.1 Å²	60.1	20%	0.2	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	119.4	170.5	-172.3	173.1	-171.5	165.4	0	108.2	E21 S61 L93 Q94 T96	E21-K109 IonicContact OE1-NZ 3.11Å; E21-K109 PolarHBondContact OE1-NZ 3.36Å; E21-K109 VanDerWaalsContact OE1-NZ 3.13Å; E21-K109 IonicContact OE2-NZ 3.5Å; S61-K109 WeakPolarHBondContact OG-CE 3.49Å; L93-K109 WeakPolarHBondContact CA-O 3.36Å; Q94-K109 PolarHBondContact N-O 3.17Å; Q94-K109 PolarHBondContact O-N 2.86Å; T96-K109 HydrophobicContact CG2-CB 4.14Å
110	V	91.3	Very high	82.4	Confident	0 Å²	0	56 Å²	56	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.2	179.1	-172.6	0	0	0	0	108.3	S61 F62 L64 A79 L91 E92 L93	S61-V110 CarbonylContact C-O 3.59Å; S61-V110 WeakPolarHBondContact CA-O 3.45Å; S61-V110 VanDerWaalsContact CB-O 3.3Å; S61-V110 WeakPolarHBondContact CB-O 3.42Å; F62-V110 HydrophobicContact CD1-CB 3.95Å; F62-V110 HydrophobicContact CD1-CG1 4.35Å; F62-V110 HydrophobicContact CE1-CB 3.47Å; F62-V110 VanDerWaalsContact CE1-CB 3.47Å; F62-V110 HydrophobicContact CE1-CG1 3.5Å; F62-V110 HydrophobicContact CE1-CG2 4.16Å; F62-V110 HydrophobicContact CE2-CB 4.16Å; F62-V110 HydrophobicContact CE2-CG2 3.97Å; F62-V110 HydrophobicContact CG-CB 4.48Å; F62-V110 HydrophobicContact CZ-CB 3.57Å; F62-V110 HydrophobicContact CZ-CG1 3.7Å; F62-V110 HydrophobicContact CZ-CG2 3.7Å; F62-V110 PolarHBondContact N-O 3.03Å; F62-V110 VanDerWaalsContact N-O 3.07Å; F62-V110 PolarHBondContact O-N 2.88Å; L64-V110 HydrophobicContact CB-CG2 4.07Å; A79-V110 HydrophobicContact CB-CG1 3.84Å; A79-V110 HydrophobicContact CB-CG2 4.43Å; L91-V110 HydrophobicContact CB-CG1 3.54Å; L91-V110 HydrophobicContact CD1-CG1 3.43Å; L91-V110 VanDerWaalsContact CD1-CG1 3.43Å; L91-V110 HydrophobicContact CG-CG1 4.14Å; E92-V110 WeakPolarHBondContact O-CA 3.39Å; L93-V110 HydrophobicContact CD2-CG2 4.12Å; L93-V110 HydrophobicContact CG-CG2 4.15Å
111	L	90.4	Very high	83.6	Confident	49 Å²	49	58.1 Å²	58.1	26%	0.257	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127.3	178.6	-65.4	173.7	0	0	0	110.1	E92	E92-L111 HydrophobicContact CB-CD1 4.29Å; E92-L111 PolarHBondContact O-N 3.01Å
112	L	87.9	Confident	84.7	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.037	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	145.5	176.8	-60.9	177.1	0	0	0	110.3	Q60 F62 L91 S114 L116 L122	Q60-L112 WeakPolarHBondContact O-CB 3.35Å; Q60-L112 PolarHBondContact O-N 2.99Å; F62-L112 HydrophobicContact CD1-CD2 3.7Å; F62-L112 HydrophobicContact CD1-CG 4.33Å; F62-L112 HydrophobicContact CE1-CD2 3.82Å; L91-L112 HydrophobicContact CD1-CD2 4.43Å; L112-S114 VanDerWaalsContact C-N 3.26Å; L112-S114 WeakPolarHBondContact CB-O 3.25Å; L112-S114 PolarHBondContact O-N 2.9Å; L112-L116 HydrophobicContact CD1-CB 4.03Å; L112-L122 HydrophobicContact CD1-CD2 4.24Å; L112-L122 HydrophobicContact CD2-CD2 3.55Å; L112-L122 HydrophobicContact CG-CD2 4.42Å
113	P	85.1	Confident	86.3	Confident	97 Å²	97	61.9 Å²	61.9	63%	0.63	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	-33.8	179.5	-19.9	33.4	0	0	0	112.4	L91	L91-P113 HydrophobicContact CD2-CG 3.53Å
114	S	86	Confident	87.9	Confident	88 Å²	88	55.1 Å²	55.1	62%	0.615	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	153.6	175.6	61.3	0	0	0	0	110.1	L112 L116	L112-S114 VanDerWaalsContact C-N 3.26Å; L112-S114 WeakPolarHBondContact CB-O 3.25Å; L112-S114 PolarHBondContact O-N 2.9Å; S114-L116 PolarHBondContact O-N 3.41Å
115	T	88	Confident	89.2	Confident	79 Å²	79	51.2 Å²	51.2	49%	0.485	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	128.4	-178.6	56.8	0	0	0	0	110.8	V59 Q60 A117	V59-T115 CarbonylContact O-C 3.58Å; Q60-T115 HydrophobicContact CB-CG2 4.14Å; Q60-T115 HydrophobicContact CG-CG2 4.16Å; T115-A117 PolarHBondContact O-N 3.38Å
116	L	88.4	Confident	90.3	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.068	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	107.4	175.5	-174.1	62.8	0	0	0	110	L27 L51 N53 S58 V59 L112 S114 A120 L122	L27-L116 HydrophobicContact CD2-CD2 4.32Å; L51-L116 HydrophobicContact CD2-CD2 4.35Å; L51-L116 HydrophobicContact CG-CD2 4.42Å; N53-L116 HydrophobicContact CB-CD2 3.9Å; N53-L116 HydrophobicContact CB-CG 3.97Å; N53-L116 PolarHBondContact ND2-O 3.2Å; S58-L116 VanDerWaalsContact CA-O 3.26Å; S58-L116 WeakPolarHBondContact CA-O 3.37Å; V59-L116 PolarHBondContact N-O 2.66Å; V59-L116 PolarHBondContact O-N 2.95Å; L112-L116 HydrophobicContact CD1-CB 4.03Å; S114-L116 PolarHBondContact O-N 3.41Å; L116-A120 HydrophobicContact CD1-CB 3.68Å; L116-A120 HydrophobicContact CG-CB 4.45Å; L116-L122 HydrophobicContact CD1-CB 4Å; L116-L122 HydrophobicContact CD2-CB 4.48Å
117	A	90.6	Very high	90.7	Very high	52 Å²	52	50.5 Å²	50.5	43%	0.43	30%	0.299	S	S	.	.			trans	-64.1	157.4	179	0	0	0	0	0	112.5	T115 G119 A120	T115-A117 PolarHBondContact O-N 3.38Å; A117-G119 PolarHBondContact O-N 2.66Å; A117-A120 HydrophobicContact CB-CB 4.23Å; A117-A120 VanDerWaalsContact O-CB 3.26Å; A117-A120 WeakPolarHBondContact O-CB 3.34Å; A117-A120 PolarHBondContact O-N 2.81Å
118	A	89.1	Confident	90.9	Very high	54 Å²	54	51.1 Å²	51.1	45%	0.446	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	133.2	172.6	0	0	0	0	0	110.8	G55 A120	G55-A118 WeakPolarHBondContact O-CB 3.4Å; A118-A120 PolarHBondContact O-N 3.48Å
119	G	88.3	Confident	91.2	Very high	64 Å²	64	50 Å²	50	66%	0.66	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-7.7	-174.7	0	0	0	0	0	115.3	N53 A117	N53-G119 WeakPolarHBondContact O-CA 3.48Å; N53-G119 PolarHBondContact O-N 3.42Å; A117-G119 PolarHBondContact O-N 2.66Å
120	A	91.3	Very high	91.5	Very high	34 Å²	34	48 Å²	48	28%	0.281	29%	0.289	S	S	.	.			trans	-80.9	159.8	179.5	0	0	0	0	0	112.1	N53 L116 A117 A118	N53-A120 PolarHBondContact N-O 3.21Å; N53-A120 VanDerWaalsContact N-O 3.1Å; L116-A120 HydrophobicContact CD1-CB 3.68Å; L116-A120 HydrophobicContact CG-CB 4.45Å; A117-A120 HydrophobicContact CB-CB 4.23Å; A117-A120 VanDerWaalsContact O-CB 3.26Å; A117-A120 WeakPolarHBondContact O-CB 3.34Å; A117-A120 PolarHBondContact O-N 2.81Å; A118-A120 PolarHBondContact O-N 3.48Å
121	Q	92	Very high	91.7	Very high	123 Å²	123	48 Å²	48	58%	0.575	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.1	177.3	-63	-173.8	-12.2	0	0	110.8	L51	L51-Q121 CarbonylContact O-C 3.59Å; L51-Q121 VanDerWaalsContact O-CA 3.28Å; L51-Q121 WeakPolarHBondContact O-CA 3.38Å
122	L	91.8	Very high	92	Very high	39 Å²	39	48.1 Å²	48.1	20%	0.204	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.4	176.7	-177.4	66.1	0	0	0	110.2	L51 V81 L112 L116 V124	L51-L122 PolarHBondContact N-O 3.36Å; L51-L122 PolarHBondContact O-N 3.47Å; V81-L122 HydrophobicContact CG1-CD1 3.78Å; V81-L122 HydrophobicContact CG2-CD2 4.31Å; L112-L122 HydrophobicContact CD1-CD2 4.24Å; L112-L122 HydrophobicContact CD2-CD2 3.55Å; L112-L122 HydrophobicContact CG-CD2 4.42Å; L116-L122 HydrophobicContact CD1-CB 4Å; L116-L122 HydrophobicContact CD2-CB 4.48Å; L122-V124 HydrophobicContact CD2-CG2 3.88Å; L122-V124 HydrophobicContact CG-CG2 3.99Å
123	K	92.9	Very high	92.5	Very high	146 Å²	146	48.4 Å²	48.4	64%	0.635	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.9	172.7	-66	-176.3	-178.5	172.3	0	109.5	I49 V50	I49-K123 WeakPolarHBondContact O-CA 3.44Å; V50-K123 HydrophobicContact CG2-CG 4.29Å
124	V	92.8	Very high	93	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.2	177.6	-173.4	0	0	0	0	108.8	I49 F62 L91 L122 T126	I49-V124 PolarHBondContact N-O 3.1Å; I49-V124 PolarHBondContact O-N 2.97Å; F62-V124 HydrophobicContact CE1-CG1 4.05Å; F62-V124 HydrophobicContact CE1-CG2 4.22Å; F62-V124 HydrophobicContact CZ-CB 4.49Å; F62-V124 HydrophobicContact CZ-CG1 3.72Å; L91-V124 HydrophobicContact CD1-CG1 4.29Å; L122-V124 HydrophobicContact CD2-CG2 3.88Å; L122-V124 HydrophobicContact CG-CG2 3.99Å; V124-T126 HydrophobicContact CG1-CG2 4.23Å
125	K	94.7	Very high	93.6	Very high	78 Å²	78	45.3 Å²	45.3	34%	0.339	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129	169.6	-173.4	-179	178.4	-170.4	0	108	A47 E48 A79 S80	A47-K125 WeakPolarHBondContact O-CA 3.42Å; E48-K125 HydrophobicContact CG-CG 4.5Å; A79-K125 CarbonylContact C-O 3.5Å; A79-K125 WeakPolarHBondContact CA-O 3.08Å; S80-K125 PolarHBondContact N-O 3.04Å; S80-K125 PolarHBondContact O-N 2.8Å
126	T	94.7	Very high	94	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.025	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	146.4	174.6	58.9	0	0	0	0	109.3	T46 A47 I49 L64 G78 A79 V124	T46-T126 CarbonylContact C-O 3.59Å; T46-T126 VanDerWaalsContact CA-O 3.23Å; T46-T126 WeakPolarHBondContact CA-O 3.34Å; A47-T126 WeakPolarHBondContact CB-OG1 3.33Å; A47-T126 PolarHBondContact N-O 3.25Å; A47-T126 PolarHBondContact O-N 2.92Å; A47-T126 PolarHBondContact O-OG1 2.88Å; I49-T126 HydrophobicContact CD1-CG2 4.19Å; L64-T126 HydrophobicContact CD1-CG2 3.94Å; L64-T126 HydrophobicContact CD2-CG2 3.97Å; G78-T126 WeakPolarHBondContact O-CA 3.24Å; A79-T126 HydrophobicContact CB-CG2 4.28Å; V124-T126 HydrophobicContact CG1-CG2 4.23Å
127	E	95.4	Very high	94.5	Very high	58 Å²	58	47.9 Å²	47.9	27%	0.271	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	130.8	179.3	-179.6	168.1	-147.9	0	0	109.3	I45 T46 Y76 I77 G78 M129	I45-E127 CarbonylContact O-C 3.59Å; I45-E127 WeakPolarHBondContact O-CA 3.28Å; T46-E127 HydrophobicContact CG2-CB 4.38Å; T46-E127 HydrophobicContact CG2-CG 4.17Å; Y76-E127 HydrophobicContact CE1-CG 4.38Å; I77-E127 CarbonylContact C-O 3.6Å; I77-E127 WeakPolarHBondContact CA-O 3.19Å; G78-E127 PolarHBondContact N-O 3.08Å; G78-E127 PolarHBondContact O-N 2.87Å; E127-M129 HydrophobicContact CG-CE 4.21Å; E127-M129 WeakPolarHBondContact OE1-CE 3.28Å
128	M	96	Very high	94.8	Very high	15 Å²	15	48.2 Å²	48.2	7%	0.074	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138.7	175.6	-61.6	173.3	-174.6	0	0	108.8	I45 L64 V66 Y76 I77 F130	I45-M128 HydrophobicContact CB-CB 4.5Å; I45-M128 PolarHBondContact N-O 3.13Å; I45-M128 PolarHBondContact O-N 2.82Å; L64-M128 HydrophobicContact CD1-CE 3.65Å; L64-M128 HydrophobicContact CD2-CE 3.59Å; L64-M128 HydrophobicContact CG-CE 3.46Å; L64-M128 VanDerWaalsContact CG-CE 3.46Å; V66-M128 HydrophobicContact CG2-CE 4.11Å; V66-M128 HydrophobicContact CG2-SD 4.25Å; Y76-M128 WeakPolarHBondContact O-CA 3.25Å; I77-M128 HydrophobicContact CD1-CE 4.13Å; I77-M128 HydrophobicContact CG1-CG 4.12Å; M128-F130 HydrophobicContact CB-CD2 4.46Å; M128-F130 HydrophobicContact CB-CE2 3.53Å; M128-F130 HydrophobicContact CB-CZ 3.74Å; M128-F130 HydrophobicContact CG-CZ 4.39Å; M128-F130 HydrophobicContact SD-CE2 4.36Å; M128-F130 HydrophobicContact SD-CZ 3.93Å
129	M	96.8	Very high	95.2	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.1	174.5	-57.2	-152.9	178.8	0	0	110.6	K44 A75 Y76 E127 Q416	K44-M129 HydrophobicContact CD-CE 4.08Å; K44-M129 HydrophobicContact CD-SD 4.35Å; K44-M129 HydrophobicContact CG-CE 4.19Å; K44-M129 HydrophobicContact CG-CG 4.37Å; K44-M129 HydrophobicContact CG-SD 4.07Å; A75-M129 PolarHBondContact N-O 2.85Å; Y76-M129 HydrophobicContact CD1-CG 4.41Å; Y76-M129 PolarHBondContact N-O 2.84Å; Y76-M129 PolarHBondContact O-N 2.66Å; E127-M129 HydrophobicContact CG-CE 4.21Å; E127-M129 WeakPolarHBondContact OE1-CE 3.28Å; M129-Q416 HydrophobicContact CE-CG 3.92Å; M129-Q416 HydrophobicContact SD-CG 4.32Å; M129-Q416 PolarHBondContact SD-OE1 3.37Å
130	F	97.4	Very high	95.6	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.9	179.9	-54.6	-85.9	0	0	0	109.9	A43 I45 V66 L70 H73 M74 M128 V133	A43-F130 HydrophobicContact CB-CB 4.36Å; A43-F130 PolarHBondContact N-O 2.78Å; A43-F130 PolarHBondContact O-N 2.89Å; I45-F130 HydrophobicContact CB-CE2 4.29Å; I45-F130 HydrophobicContact CD1-CD2 4.09Å; I45-F130 HydrophobicContact CD1-CE2 3.67Å; I45-F130 HydrophobicContact CG1-CD2 4.19Å; I45-F130 HydrophobicContact CG1-CE2 3.94Å; V66-F130 HydrophobicContact CG1-CE1 3.83Å; V66-F130 HydrophobicContact CG1-CZ 4.04Å; L70-F130 HydrophobicContact CB-CD1 3.79Å; L70-F130 HydrophobicContact CB-CE1 3.6Å; L70-F130 HydrophobicContact CB-CG 4.47Å; L70-F130 HydrophobicContact CB-CZ 4.14Å; L70-F130 HydrophobicContact CD1-CE2 4.42Å; L70-F130 HydrophobicContact CD1-CZ 4.38Å; L70-F130 WeakPolarHBondContact O-CD1 3.37Å; H73-F130 WeakPolarHBondContact O-CA 3.41Å; M74-F130 HydrophobicContact CB-CD1 3.92Å; M74-F130 HydrophobicContact CB-CE1 3.77Å; M74-F130 HydrophobicContact CG-CD1 4.3Å; M74-F130 HydrophobicContact CG-CE1 3.91Å; M128-F130 HydrophobicContact CB-CD2 4.46Å; M128-F130 HydrophobicContact CB-CE2 3.53Å; M128-F130 HydrophobicContact CB-CZ 3.74Å; M128-F130 HydrophobicContact CG-CZ 4.39Å; M128-F130 HydrophobicContact SD-CE2 4.36Å; M128-F130 HydrophobicContact SD-CZ 3.93Å; F130-V133 HydrophobicContact CB-CG1 3.83Å; F130-V133 HydrophobicContact CB-CG2 4Å
131	S	96.9	Very high	95.9	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.014	25%	0.246	C	C	.	.	S	Bend	trans	-93.5	155	175	59.5	0	0	0	0	110.5	H73 V133 N412	H73-S131 WeakPolarHBondContact CB-O 3.14Å; H73-S131 PolarHBondContact O-N 2.92Å; H73-S131 PolarHBondContact O-OG 3.09Å; S131-V133 PolarHBondContact O-N 2.9Å; S131-N412 WeakPolarHBondContact CB-OD1 3.34Å; S131-N412 PolarHBondContact OG-ND2 3.39Å; S131-N412 PolarHBondContact OG-OD1 3.17Å
132	H	96.8	Very high	96.1	Very high	51 Å²	51	46.9 Å²	46.9	24%	0.236	23%	0.232	C	C	.	.	S	Bend	trans	59.1	17.2	171.4	-57.9	-62.7	0	0	0	116.9	K135 T221 D361	H132-K135 WeakPolarHBondContact O-CE 3.32Å; H132-K135 PolarHBondContact O-NZ 2.91Å; H132-T221 VanDerWaalsContact CE1-CG2 3.49Å; H132-T221 WeakPolarHBondContact CE1-CG2 3.48Å; H132-T221 PolarHBondContact CE1-OG1 3.22Å; H132-D361 IonicContact CD2-OD1 2.66Å; H132-D361 IonicContact CE1-OD1 3.37Å; H132-D361 IonicContact NE2-OD1 3.42Å; H132-D361 PolarHBondContact NE2-OD1 3.5Å; H132-D361 IonicContact NE2-OD2 3.5Å
133	V	97	Very high	96.2	Very high	13 Å²	13	45.8 Å²	45.8	8%	0.079	23%	0.226	C	C	.	.			trans	-89.9	-22	179.7	-64.6	0	0	0	0	113.8	A43 L70 H73 F130 S131 K135 F151	A43-V133 HydrophobicContact CB-CG2 3.47Å; A43-V133 VanDerWaalsContact CB-CG2 3.47Å; L70-V133 HydrophobicContact CD2-CB 4.43Å; L70-V133 HydrophobicContact CD2-CG1 3.89Å; H73-V133 HydrophobicContact CB-CG1 3.53Å; F130-V133 HydrophobicContact CB-CG1 3.83Å; F130-V133 HydrophobicContact CB-CG2 4Å; S131-V133 PolarHBondContact O-N 2.9Å; V133-K135 PolarHBondContact O-N 3.39Å; V133-F151 HydrophobicContact CG2-CD2 4.21Å; V133-F151 HydrophobicContact CG2-CE2 4.04Å
134	L	97.4	Very high	96.2	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.052	22%	0.221	C	C	.	.			trans	-81.4	109.5	174.6	-63.9	-178.7	0	0	0	109.9	L38 T40 F151 F219	L38-L134 HydrophobicContact CD2-CD2 4.3Å; T40-L134 WeakPolarHBondContact O-CD1 3.31Å; L134-F151 HydrophobicContact CD2-CB 3.63Å; L134-F151 HydrophobicContact CD2-CD2 3.87Å; L134-F151 HydrophobicContact CD2-CG 4.14Å; L134-F219 HydrophobicContact CB-CE1 4.02Å; L134-F219 HydrophobicContact CB-CZ 4.28Å; L134-F219 HydrophobicContact CD1-CZ 4.1Å
135	K	97.1	Very high	96.3	Very high	109 Å²	109	46.1 Å²	46.1	47%	0.474	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.5	-177.9	-59.1	-54.5	-172.1	-168.7	0	110.8	H132 V133 F137 V149 V150	H132-K135 WeakPolarHBondContact O-CE 3.32Å; H132-K135 PolarHBondContact O-NZ 2.91Å; V133-K135 PolarHBondContact O-N 3.39Å; K135-F137 PolarHBondContact O-N 3.4Å; K135-V149 CarbonylContact O-C 3.5Å; K135-V149 WeakPolarHBondContact O-CA 3.28Å; K135-V150 PolarHBondContact N-O 3.22Å; K135-V150 PolarHBondContact O-N 2.83Å
136	P	97.6	Very high	96.3	Very high	23 Å²	23	48.3 Å²	48.3	15%	0.149	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	130.6	174.7	-21.1	31.5	0	0	0	112	P138 T139 L148 A250	P136-P138 CarbonylContact C-O 3.52Å; P136-T139 WeakPolarHBondContact O-CG2 3.42Å; P136-L148 WeakPolarHBondContact CA-O 3.42Å; P136-A250 HydrophobicContact CB-CB 3.83Å
137	F	97.3	Very high	96.4	Very high	124 Å²	124	48.1 Å²	48.1	54%	0.544	25%	0.246	S	C	.	.	S	Bend	trans	-145.6	100.1	177.6	-171.5	-106	0	0	0	109.5	K135 L148 V150 H212	K135-F137 PolarHBondContact O-N 3.4Å; F137-L148 PolarHBondContact N-O 3.06Å; F137-L148 WeakPolarHBondContact O-CB 3.07Å; F137-V150 HydrophobicContact CB-CG2 3.65Å; F137-V150 HydrophobicContact CD1-CG2 4.15Å; F137-V150 HydrophobicContact CG-CG2 4.14Å; F137-H212 AromaticContact CD1-CE1 3.58Å; F137-H212 AromaticContact CD1-NE2 3.71Å; F137-H212 PolarHBondContact O-NE2 3.23Å
138	P	97.2	Very high	96.5	Very high	59 Å²	59	46.8 Å²	46.8	38%	0.383	24%	0.24	S	C	.	.	S	Bend	cis	-70.6	154.6	12.3	30.3	-36.7	0	0	0	113.9	P136 Q140 I141	P136-P138 CarbonylContact C-O 3.52Å; P138-Q140 PolarHBondContact O-N 3.4Å; P138-I141 HydrophobicContact CG-CG2 3.91Å
139	T	97.3	Very high	96.6	Very high	95 Å²	95	46.1 Å²	46.1	58%	0.583	24%	0.237	S	C	*	.	S	Bend	trans	-73.4	-17.6	179.6	51.6	0	0	0	0	113.4	P136 I251	P136-T139 WeakPolarHBondContact O-CG2 3.42Å; T139-I251 PolarHBondContact O-N 3.49Å
140	Q	97.5	Very high	96.7	Very high	99 Å²	99	46.7 Å²	46.7	46%	0.463	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.5	177.6	-51.2	-177.9	-0.9	0	0	109.8	P138 I251 K253	P138-Q140 PolarHBondContact O-N 3.4Å; Q140-I251 CarbonylContact C-O 3.56Å; Q140-I251 WeakPolarHBondContact CA-O 3.39Å; Q140-I251 HydrophobicContact CG-CB 4.31Å; Q140-K253 HydrophobicContact CB-CB 4.05Å; Q140-K253 HydrophobicContact CB-CD 4.45Å
141	I	97.2	Very high	96.7	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.7	179.2	59.9	174.9	0	0	0	110.3	P138 E145 Q147 A250 I251 L252 K253 S270	P138-I141 HydrophobicContact CG-CG2 3.91Å; I141-E145 WeakPolarHBondContact CA-OE2 3.26Å; I141-E145 HydrophobicContact CB-CB 3.93Å; I141-E145 HydrophobicContact CG2-CB 4.37Å; I141-Q147 HydrophobicContact CD1-CB 4.12Å; I141-A250 HydrophobicContact CB-CB 4.3Å; I141-A250 HydrophobicContact CD1-CB 3.77Å; I141-A250 HydrophobicContact CG1-CB 3.65Å; I141-A250 HydrophobicContact CG2-CB 3.86Å; I141-I251 PolarHBondContact N-O 2.88Å; I141-L252 CarbonylContact O-C 3.56Å; I141-L252 WeakPolarHBondContact O-CA 3.48Å; I141-K253 PolarHBondContact O-N 3.24Å; I141-S270 WeakPolarHBondContact CD1-OG 3.34Å
142	T	95.9	Very high	96.7	Very high	49 Å²	49	52.5 Å²	52.5	30%	0.301	27%	0.267	S	S	.	.			trans	-72.4	167.3	171.1	70.7	0	0	0	0	111	A144 E145 K253	T142-A144 PolarHBondContact O-N 3.35Å; T142-A144 VanDerWaalsContact O-N 3.09Å; T142-E145 PolarHBondContact N-OE2 3.26Å; T142-E145 PolarHBondContact O-N 3.3Å; T142-E145 VanDerWaalsContact O-N 3.12Å; T142-E145 VanDerWaalsContact OG1-CD 3.3Å; T142-E145 VanDerWaalsContact OG1-CG 3.32Å; T142-E145 WeakPolarHBondContact OG1-CG 3.3Å; T142-E145 PolarHBondContact OG1-OE2 2.64Å; T142-K253 HydrophobicContact CG2-CB 4.43Å
143	Q	94.1	Very high	96.6	Very high	15 Å²	15	50.8 Å²	50.8	7%	0.07	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.3	-178.6	-169.9	-178.2	-43.5	0	0	114.2	L252 S257 S267 G268 F318	Q143-L252 HydrophobicContact CB-CD1 4.15Å; Q143-S257 PolarHBondContact NE2-O 2.88Å; Q143-S257 PolarHBondContact OE1-O 3.48Å; Q143-S267 WeakPolarHBondContact CG-OG 3.42Å; Q143-S267 PolarHBondContact NE2-OG 2.8Å; Q143-G268 PolarHBondContact O-N 2.88Å; Q143-F318 HydrophobicContact CB-CE1 4.46Å; Q143-F318 HydrophobicContact CG-CE1 3.79Å; Q143-F318 HydrophobicContact CG-CZ 3.81Å
144	A	92.8	Very high	96.5	Very high	63 Å²	63	50.6 Å²	50.6	52%	0.521	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-5	-177.5	0	0	0	0	0	113.8	T142	T142-A144 PolarHBondContact O-N 3.35Å; T142-A144 VanDerWaalsContact O-N 3.09Å
145	E	94.4	Very high	96.4	Very high	93 Å²	93	50.2 Å²	50.2	44%	0.435	26%	0.26	S	S	.	.	S	Bend	trans	-86.1	150	-178.4	-80	168.7	174.4	0	0	111.4	I141 T142	I141-E145 WeakPolarHBondContact CA-OE2 3.26Å; I141-E145 HydrophobicContact CB-CB 3.93Å; I141-E145 HydrophobicContact CG2-CB 4.37Å; T142-E145 PolarHBondContact N-OE2 3.26Å; T142-E145 PolarHBondContact O-N 3.3Å; T142-E145 VanDerWaalsContact O-N 3.12Å; T142-E145 VanDerWaalsContact OG1-CD 3.3Å; T142-E145 VanDerWaalsContact OG1-CG 3.32Å; T142-E145 WeakPolarHBondContact OG1-CG 3.3Å; T142-E145 PolarHBondContact OG1-OE2 2.64Å
146	R	95.3	Very high	96.3	Very high	125 Å²	125	47.3 Å²	47.3	47%	0.472	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-85.8	147.9	174.7	-72.3	162.5	175.6	-100.2	-1.1	110.1	E214 N216 I269	R146-E214 HydrophobicContact CB-CG 4.3Å; R146-E214 VanDerWaalsContact CD-OE1 3.23Å; R146-E214 WeakPolarHBondContact CD-OE1 3.4Å; R146-E214 IonicContact CZ-OE1 3.64Å; R146-E214 IonicContact NE-OE1 3.82Å; R146-E214 IonicContact NH1-OE1 2.7Å; R146-E214 PolarHBondContact NH1-OE1 2.98Å; R146-N216 WeakPolarHBondContact CA-OD1 3.49Å; R146-I269 HydrophobicContact CG-CD1 4.07Å
147	Q	96.8	Very high	96.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-81.8	126.2	177.8	-178.9	175.7	-80.7	0	0	110.4	I141 V149 E214 N215 N216 F219 A250	I141-Q147 HydrophobicContact CD1-CB 4.12Å; Q147-V149 HydrophobicContact CG-CG1 4.03Å; Q147-E214 WeakPolarHBondContact O-CA 3.43Å; Q147-N215 WeakPolarHBondContact CB-O 3.35Å; Q147-N215 WeakPolarHBondContact CG-O 2.99Å; Q147-N215 PolarHBondContact NE2-O 2.95Å; Q147-N215 PolarHBondContact O-N 2.86Å; Q147-N216 PolarHBondContact N-OD1 3.29Å; Q147-F219 VanDerWaalsContact NE2-CD2 3.31Å; Q147-F219 VanDerWaalsContact NE2-CE2 3.28Å; Q147-A250 HydrophobicContact CG-CB 4.17Å
148	L	97.9	Very high	95.9	Very high	30 Å²	30	41.2 Å²	41.2	16%	0.157	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.1	169.6	-62.5	173.9	0	0	0	108.9	P136 F137 E178 H212 Y213 E214	P136-L148 WeakPolarHBondContact CA-O 3.42Å; F137-L148 PolarHBondContact N-O 3.06Å; F137-L148 WeakPolarHBondContact O-CB 3.07Å; L148-E178 HydrophobicContact CD1-CG 3.94Å; L148-E178 HydrophobicContact CD2-CG 4.19Å; L148-H212 WeakPolarHBondContact CB-NE2 3.39Å; L148-Y213 CarbonylContact C-O 3.55Å; L148-Y213 VanDerWaalsContact CA-O 3.3Å; L148-Y213 WeakPolarHBondContact CA-O 3.28Å; L148-E214 HydrophobicContact CD2-CB 3.67Å; L148-E214 HydrophobicContact CD2-CG 4.29Å
149	V	98.2	Very high	95.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.7	-179.2	-57.4	0	0	0	0	111.1	K135 Q147 H212 Y213 N215 F219	K135-V149 CarbonylContact O-C 3.5Å; K135-V149 WeakPolarHBondContact O-CA 3.28Å; Q147-V149 HydrophobicContact CG-CG1 4.03Å; V149-H212 WeakPolarHBondContact O-CA 3.29Å; V149-H212 PolarHBondContact O-CD2 2.84Å; V149-Y213 HydrophobicContact CG2-CD1 4.08Å; V149-Y213 HydrophobicContact CG2-CE1 3.48Å; V149-Y213 VanDerWaalsContact CG2-CE1 3.48Å; V149-Y213 HydrophobicContact CG2-CE2 4.18Å; V149-Y213 PolarHBondContact N-O 3.48Å; V149-Y213 PolarHBondContact O-N 3.11Å; V149-N215 HydrophobicContact CG1-CB 4.38Å; V149-N215 HydrophobicContact CG2-CB 3.71Å; V149-F219 HydrophobicContact CG1-CE1 4.08Å; V149-F219 HydrophobicContact CG1-CZ 3.87Å
150	V	98.3	Very high	95.4	Very high	14 Å²	14	35.1 Å²	35.1	9%	0.085	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.1	176.3	174	0	0	0	0	108.9	K135 F137 Q152 K210 I211 H212	K135-V150 PolarHBondContact N-O 3.22Å; K135-V150 PolarHBondContact O-N 2.83Å; F137-V150 HydrophobicContact CB-CG2 3.65Å; F137-V150 HydrophobicContact CD1-CG2 4.15Å; F137-V150 HydrophobicContact CG-CG2 4.14Å; V150-Q152 HydrophobicContact CG1-CG 4.13Å; V150-K210 HydrophobicContact CG1-CD 4.43Å; V150-K210 HydrophobicContact CG1-CG 4.03Å; V150-I211 CarbonylContact C-O 3.52Å; V150-I211 VanDerWaalsContact CA-O 3.3Å; V150-I211 WeakPolarHBondContact CA-O 3.41Å; V150-H212 HydrophobicContact CG2-CB 3.94Å
151	F	98.1	Very high	95.2	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.013	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139	165.9	178.6	-110.4	0	0	0	109.7	V36 L38 A43 V133 L134 L209 K210 I211	V36-F151 HydrophobicContact CG1-CE1 4.05Å; V36-F151 HydrophobicContact CG1-CZ 4.24Å; L38-F151 HydrophobicContact CD1-CB 3.73Å; L38-F151 HydrophobicContact CD1-CD1 3.6Å; L38-F151 HydrophobicContact CD1-CD2 4.41Å; L38-F151 HydrophobicContact CD1-CE1 4.32Å; L38-F151 HydrophobicContact CD1-CG 3.65Å; L38-F151 HydrophobicContact CD2-CD1 4.2Å; L38-F151 HydrophobicContact CD2-CD2 3.88Å; L38-F151 HydrophobicContact CD2-CE1 4.35Å; L38-F151 HydrophobicContact CD2-CE2 4.05Å; L38-F151 HydrophobicContact CD2-CG 3.95Å; L38-F151 HydrophobicContact CD2-CZ 4.28Å; L38-F151 HydrophobicContact CG-CG 4.48Å; A43-F151 HydrophobicContact CB-CD2 4.31Å; A43-F151 HydrophobicContact CB-CE2 3.75Å; A43-F151 HydrophobicContact CB-CZ 4.43Å; V133-F151 HydrophobicContact CG2-CD2 4.21Å; V133-F151 HydrophobicContact CG2-CE2 4.04Å; L134-F151 HydrophobicContact CD2-CB 3.63Å; L134-F151 HydrophobicContact CD2-CD2 3.87Å; L134-F151 HydrophobicContact CD2-CG 4.14Å; F151-L209 HydrophobicContact CE1-CD2 4.32Å; F151-K210 WeakPolarHBondContact O-CA 3.23Å; F151-I211 PolarHBondContact N-O 2.84Å; F151-I211 PolarHBondContact O-N 3.06Å
152	Q	96.9	Very high	95	Very high	123 Å²	123	33.5 Å²	33.5	58%	0.575	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.5	172.9	-67	-179.7	-51.2	0	0	108.7	V150 L209 K210	V150-Q152 HydrophobicContact CG1-CG 4.13Å; Q152-L209 CarbonylContact C-O 3.59Å; Q152-L209 WeakPolarHBondContact CA-O 3.43Å; Q152-K210 HydrophobicContact CG-CG 4.21Å
153	G	95.1	Very high	95	Very high	16 Å²	16	31.3 Å²	31.3	17%	0.165	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	-155.8	178.2	0	0	0	0	0	110.8	L209	G153-L209 PolarHBondContact N-O 2.9Å; G153-L209 WeakPolarHBondContact O-CB 3.31Å; G153-L209 PolarHBondContact O-N 3.1Å
154	N	94.8	Very high	95.1	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.9	-178	-170.4	-6.3	0	0	0	111.3	R34 D67 Y156 S205 D207	R34-N154 VanDerWaalsContact CZ-O 3.24Å; R34-N154 PolarHBondContact NH1-O 2.93Å; R34-N154 PolarHBondContact NH2-O 2.77Å; D67-N154 WeakPolarHBondContact OD1-CB 3.33Å; D67-N154 PolarHBondContact OD1-ND2 3.45Å; N154-Y156 VanDerWaalsContact C-N 3.31Å; N154-Y156 PolarHBondContact ND2-O 3.02Å; N154-Y156 PolarHBondContact OD1-N 3.5Å; N154-S205 PolarHBondContact ND2-O 2.92Å; N154-S205 VanDerWaalsContact ND2-O 3.1Å; N154-D207 CarbonylContact C-O 3.56Å; N154-D207 WeakPolarHBondContact CA-O 3.41Å; N154-D207 PolarHBondContact OD1-N 3.24Å; N154-D207 PolarHBondContact OD1-O 3.36Å
155	H	94.9	Very high	95.3	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.014	17%	0.169	C	C	.	.	S	Bend	trans	-68.2	-31.6	172	-74.2	101.8	0	0	0	112.4	R34 Q166 T181 L183 Y195 D207 A208 L209	R34-H155 PolarHBondContact NH2-O 3.43Å; H155-Q166 PolarHBondContact O-NE2 2.94Å; H155-T181 PolarHBondContact CE1-OG1 2.82Å; H155-T181 WeakPolarHBondContact NE2-CB 3.47Å; H155-T181 PolarHBondContact NE2-OG1 2.82Å; H155-L183 HydrophobicContact CB-CD2 3.78Å; H155-Y195 AromaticContact CD2-CD1 3.66Å; H155-Y195 AromaticContact CD2-CE1 3.65Å; H155-Y195 AromaticContact NE2-CD1 3.98Å; H155-Y195 AromaticContact NE2-CE1 3.51Å; H155-D207 HydrophobicContact CB-CB 4.38Å; H155-D207 IonicContact CE1-OD2 3.05Å; H155-D207 PolarHBondContact CE1-OD2 2.83Å; H155-D207 IonicContact CG-OD2 3.97Å; H155-D207 PolarHBondContact N-O 2.94Å; H155-D207 PolarHBondContact ND1-O 3.35Å; H155-D207 IonicContact ND1-OD2 3.46Å; H155-D207 PolarHBondContact ND1-OD2 3.32Å; H155-A208 PolarHBondContact CE1-O 3.38Å; H155-A208 PolarHBondContact ND1-O 2.97Å; H155-L209 PolarHBondContact ND1-N 3.36Å
156	Y	94.4	Very high	95.4	Very high	47 Å²	47	30.7 Å²	30.7	18%	0.184	15%	0.148	C	C	.	.	S	Bend	trans	-96.5	155.4	-178.6	-56.7	-62.7	0	0	0	111.4	R34 N154 Y158 L183 F198 V201 D207	R34-Y156 PolarHBondContact NH1-O 2.85Å; N154-Y156 VanDerWaalsContact C-N 3.31Å; N154-Y156 PolarHBondContact ND2-O 3.02Å; N154-Y156 PolarHBondContact OD1-N 3.5Å; Y156-Y158 PolarHBondContact O-N 2.74Å; Y156-L183 HydrophobicContact CE2-CD2 4.42Å; Y156-F198 HydrophobicContact CD1-CD2 4.14Å; Y156-F198 HydrophobicContact CD1-CG 4.35Å; Y156-F198 HydrophobicContact CE1-CB 4.12Å; Y156-F198 HydrophobicContact CE1-CD1 4.1Å; Y156-F198 AromaticContact CE1-CD2 3.97Å; Y156-F198 HydrophobicContact CE1-CD2 3.97Å; Y156-F198 HydrophobicContact CE1-CE2 4.39Å; Y156-F198 AromaticContact CE1-CG 3.8Å; Y156-F198 HydrophobicContact CE1-CG 3.8Å; Y156-V201 HydrophobicContact CD1-CB 4.49Å; Y156-V201 HydrophobicContact CD1-CG1 3.75Å; Y156-V201 HydrophobicContact CD1-CG2 3.84Å; Y156-V201 HydrophobicContact CE1-CG1 4.36Å; Y156-V201 HydrophobicContact CE1-CG2 3.99Å; Y156-V201 HydrophobicContact CG-CG1 3.92Å; Y156-D207 HydrophobicContact CD2-CB 3.93Å; Y156-D207 HydrophobicContact CE2-CB 3.58Å
157	L	93.9	Very high	95.5	Very high	16 Å²	16	27 Å²	27	8%	0.084	14%	0.139	C	C	.	.			trans	-70.1	110.4	165.1	176.6	69.7	0	0	0	107.7	V32 A47 I49 S159	V32-L157 HydrophobicContact CG1-CB 4.15Å; V32-L157 HydrophobicContact CG1-CD2 3.69Å; V32-L157 HydrophobicContact CG1-CG 4.44Å; V32-L157 HydrophobicContact CG2-CD2 3.99Å; A47-L157 HydrophobicContact CB-CD1 4.32Å; I49-L157 HydrophobicContact CD1-CD2 3.88Å; I49-L157 HydrophobicContact CG1-CD2 4.22Å; L157-S159 PolarHBondContact O-N 2.85Å; L157-S159 PolarHBondContact O-OG 3.03Å
158	Y	93	Very high	95.5	Very high	4 Å²	4	27 Å²	27	2%	0.016	14%	0.139	C	C	.	.			trans	-65.6	106.6	174.3	-167.7	-112.5	0	0	0	109.8	A65 D67 R104 F107 Y156 F204 E206	A65-Y158 HydrophobicContact CB-CD1 3.7Å; A65-Y158 HydrophobicContact CB-CE1 4.07Å; D67-Y158 WeakPolarHBondContact OD1-CB 3.38Å; R104-Y158 PolarHBondContact O-OH 2.91Å; F107-Y158 HydrophobicContact CE1-CE1 4.47Å; Y156-Y158 PolarHBondContact O-N 2.74Å; Y158-F204 HydrophobicContact CE1-CD1 4.17Å; Y158-F204 HydrophobicContact CE2-CB 4.03Å; Y158-F204 AromaticContact CE2-CD1 3.99Å; Y158-F204 HydrophobicContact CE2-CD1 3.99Å; Y158-F204 AromaticContact CZ-CD1 3.77Å; Y158-E206 HydrophobicContact CD2-CG 3.85Å; Y158-E206 HydrophobicContact CE2-CG 3.7Å; Y158-E206 WeakPolarHBondContact CE2-OE1 3.5Å; Y158-E206 PolarHBondContact OH-OE1 3.4Å
159	S	92.4	Very high	95.5	Very high	9 Å²	9	31 Å²	31	6%	0.063	15%	0.152	C	C	.	.			trans	-149.1	149.8	-175.5	63.6	0	0	0	0	111.6	N29 L157 Y161 F204	N29-S159 PolarHBondContact ND2-OG 2.81Å; L157-S159 PolarHBondContact O-N 2.85Å; L157-S159 PolarHBondContact O-OG 3.03Å; S159-Y161 PolarHBondContact O-N 3.23Å; S159-Y161 PolarHBondContact OG-O 2.87Å; S159-F204 PolarHBondContact O-N 2.81Å
160	P	91.2	Very high	95.5	Very high	16 Å²	16	31 Å²	31	10%	0.104	15%	0.152	C	C	.	.	S	Bend	trans	-73.6	-5	177.3	31	-35.8	0	0	0	113.4	I63 I98 F204	I63-P160 HydrophobicContact CB-CG 4.11Å; I63-P160 HydrophobicContact CG2-CG 4.32Å; I98-P160 HydrophobicContact CD1-CB 4.46Å; P160-F204 HydrophobicContact CB-CE1 3.84Å; P160-F204 HydrophobicContact CB-CE2 3.88Å; P160-F204 HydrophobicContact CB-CZ 3.35Å
161	Y	92.6	Very high	95.5	Very high	16 Å²	16	36 Å²	36	6%	0.063	17%	0.17	C	C	.	.	S	Bend	trans	-109.6	143.3	-173.4	-51.9	-55	0	0	0	110.6	A24 L27 F62 I63 S159	A24-Y161 HydrophobicContact CB-CE1 3.65Å; L27-Y161 HydrophobicContact CB-CD1 3.84Å; L27-Y161 HydrophobicContact CB-CE1 3.91Å; L27-Y161 HydrophobicContact CB-CG 4.31Å; L27-Y161 HydrophobicContact CD1-CE1 4.14Å; L27-Y161 HydrophobicContact CD1-CE2 4.42Å; F62-Y161 HydrophobicContact CB-CE2 4.2Å; I63-Y161 PolarHBondContact N-OH 3.01Å; I63-Y161 WeakPolarHBondContact O-CE2 3.47Å; S159-Y161 PolarHBondContact O-N 3.23Å; S159-Y161 PolarHBondContact OG-O 2.87Å
162	P	94.5	Very high	95.5	Very high	54 Å²	54	35.9 Å²	35.9	35%	0.351	17%	0.169	S	C	.	.			trans	-64	141.7	171.9	28.6	-33.5	0	0	0	109.7	V28 N29 P203	V28-P162 HydrophobicContact CG1-CG 4.39Å; V28-P162 HydrophobicContact CG2-CG 4.12Å; N29-P162 PolarHBondContact N-O 2.96Å; P162-P203 HydrophobicContact CB-CG 4.23Å
163	T	95.9	Very high	95.5	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119	-178.2	-60	0	0	0	0	110.3	N29 V32 S165 Q166 D200 V201	N29-T163 HydrophobicContact CB-CG2 4.04Å; N29-T163 PolarHBondContact ND2-OG1 2.9Å; N29-T163 CarbonylContact O-C 3.53Å; N29-T163 WeakPolarHBondContact O-CA 3.34Å; V32-T163 HydrophobicContact CB-CG2 4.12Å; V32-T163 HydrophobicContact CG2-CG2 3.58Å; T163-S165 WeakPolarHBondContact CG2-O 3.21Å; T163-Q166 HydrophobicContact CG2-CB 4.11Å; T163-D200 CarbonylContact O-C 3.56Å; T163-D200 WeakPolarHBondContact O-CA 3.22Å; T163-V201 PolarHBondContact N-O 2.91Å; T163-V201 PolarHBondContact O-N 3.14Å
164	R	95.8	Very high	95.5	Very high	124 Å²	124	31.5 Å²	31.5	47%	0.468	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-42.6	-176.8	-68.5	-161.7	-176.7	-175.3	-6.5	113.2	V28 N29 E30 R199 D200	V28-R164 HydrophobicContact CG1-CG 4.05Å; N29-R164 PolarHBondContact O-N 3.36Å; E30-R164 VanDerWaalsContact OE2-CD 3.25Å; E30-R164 WeakPolarHBondContact OE2-CD 3.48Å; E30-R164 IonicContact OE2-CZ 3.84Å; E30-R164 IonicContact OE2-NE 2.91Å; E30-R164 IonicContact OE2-NH1 2.67Å; R164-R199 CarbonylContact O-C 3.57Å; R164-R199 VanDerWaalsContact O-CA 3.32Å; R164-R199 WeakPolarHBondContact O-CA 3.25Å; R164-D200 PolarHBondContact O-N 3.35Å
165	S	97	Very high	95.6	Very high	34 Å²	34	37.8 Å²	37.8	24%	0.238	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	128.8	179.4	172	0	0	0	0	109.5	E30 D31 V32 T163 F198	E30-S165 PolarHBondContact O-N 2.65Å; D31-S165 CarbonylContact C-O 3.54Å; D31-S165 WeakPolarHBondContact CA-O 3.35Å; D31-S165 PolarHBondContact OD1-OG 2.86Å; V32-S165 PolarHBondContact N-O 2.83Å; T163-S165 WeakPolarHBondContact CG2-O 3.21Å; S165-F198 WeakPolarHBondContact CA-O 3.35Å
166	Q	96.6	Very high	95.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.7	171.9	-176.2	-169.7	-42.4	0	0	110.7	V32 H155 T163 T168 P197 F198	V32-Q166 HydrophobicContact CB-CB 4.32Å; V32-Q166 HydrophobicContact CB-CG 4.13Å; V32-Q166 HydrophobicContact CG1-CG 4.09Å; V32-Q166 WeakPolarHBondContact O-CA 3.43Å; H155-Q166 PolarHBondContact O-NE2 2.94Å; T163-Q166 HydrophobicContact CG2-CB 4.11Å; Q166-T168 PolarHBondContact NE2-OG1 3.14Å; Q166-P197 CarbonylContact O-C 3.55Å; Q166-P197 WeakPolarHBondContact O-CA 3.29Å; Q166-F198 HydrophobicContact CB-CB 4.48Å; Q166-F198 PolarHBondContact N-O 3.18Å; Q166-F198 PolarHBondContact O-N 3.16Å
167	T	97.4	Very high	95.8	Very high	47 Å²	47	39.3 Å²	39.3	29%	0.288	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.9	165	-54.4	0	0	0	0	109.1	V32 R34	V32-T167 PolarHBondContact O-N 3.35Å; R34-T167 PolarHBondContact N-O 3.24Å
168	T	97.4	Very high	95.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.6	174.6	-66.7	0	0	0	0	110.6	R34 V36 Q166 V170 E194 Y195	R34-T168 PolarHBondContact NE-OG1 2.85Å; R34-T168 VanDerWaalsContact NH2-CG2 3.27Å; R34-T168 PolarHBondContact NH2-OG1 2.88Å; R34-T168 CarbonylContact O-C 3.57Å; R34-T168 VanDerWaalsContact O-CA 3.29Å; R34-T168 WeakPolarHBondContact O-CA 3.3Å; V36-T168 HydrophobicContact CG2-CG2 4.31Å; Q166-T168 PolarHBondContact NE2-OG1 3.14Å; T168-V170 HydrophobicContact CG2-CG2 4.12Å; T168-E194 WeakPolarHBondContact O-CA 3.28Å; T168-Y195 PolarHBondContact N-O 2.98Å; T168-Y195 PolarHBondContact O-N 2.82Å
169	R	97.8	Very high	96.1	Very high	115 Å²	115	46.9 Å²	46.9	43%	0.434	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.2	172	-176.6	176.9	-74.1	165	-3	109.3	R34 T35 V36 I192 E194	R34-R169 PolarHBondContact O-N 3.31Å; T35-R169 CarbonylContact C-O 3.58Å; T35-R169 VanDerWaalsContact CA-O 3.27Å; T35-R169 WeakPolarHBondContact CA-O 3.44Å; V36-R169 PolarHBondContact N-O 3.21Å; R169-I192 HydrophobicContact CG-CG2 3.49Å; R169-I192 VanDerWaalsContact CG-CG2 3.49Å; R169-E194 HydrophobicContact CG-CG 4.39Å; R169-E194 IonicContact CZ-OE1 3.65Å; R169-E194 VanDerWaalsContact CZ-OE1 3.23Å; R169-E194 IonicContact NE-OE1 3.19Å; R169-E194 PolarHBondContact NE-OE1 2.94Å; R169-E194 IonicContact NH2-OE1 2.93Å; R169-E194 PolarHBondContact NH2-OE1 2.8Å
170	V	98.3	Very high	96.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.2	173.1	-170.5	0	0	0	0	108.9	V36 L38 T168 L172 I192 I193 Y195 I211	V36-V170 HydrophobicContact CB-CG1 4.32Å; V36-V170 HydrophobicContact CB-CG2 4.29Å; V36-V170 HydrophobicContact CG1-CG1 4.45Å; V36-V170 CarbonylContact O-C 3.59Å; V36-V170 VanDerWaalsContact O-CA 3.3Å; V36-V170 WeakPolarHBondContact O-CA 3.47Å; L38-V170 HydrophobicContact CD1-CG1 3.71Å; L38-V170 HydrophobicContact CG-CG1 4.14Å; T168-V170 HydrophobicContact CG2-CG2 4.12Å; V170-L172 HydrophobicContact CG1-CD2 3.88Å; V170-I192 CarbonylContact O-C 3.6Å; V170-I192 WeakPolarHBondContact O-CA 3.49Å; V170-I193 HydrophobicContact CB-CB 4.41Å; V170-I193 PolarHBondContact N-O 2.91Å; V170-I193 PolarHBondContact O-N 3.32Å; V170-Y195 HydrophobicContact CG2-CD2 4.22Å; V170-Y195 HydrophobicContact CG2-CE2 4.05Å; V170-I211 HydrophobicContact CB-CD1 4.12Å; V170-I211 HydrophobicContact CG1-CD1 3.64Å; V170-I211 HydrophobicContact CG2-CD1 4Å
171	R	98.2	Very high	96.6	Very high	120 Å²	120	49.5 Å²	49.5	45%	0.453	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.2	174.5	-174.9	-175.1	-176.6	-169.7	3.1	109.5	V36 D37 L38	V36-R171 PolarHBondContact O-N 2.82Å; D37-R171 WeakPolarHBondContact OD2-CD 3.47Å; D37-R171 IonicContact OD2-NH1 3.35Å; D37-R171 PolarHBondContact OD2-NH1 2.79Å; L38-R171 WeakPolarHBondContact CA-O 3.43Å; L38-R171 PolarHBondContact N-O 3.38Å
172	L	98	Very high	96.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	165	-177.9	-54.1	-179	0	0	0	111	L38 V170 S174 V177 E191 I193 I211 Y213	L38-L172 HydrophobicContact CD1-CD2 4.24Å; V170-L172 HydrophobicContact CG1-CD2 3.88Å; L172-S174 VanDerWaalsContact C-N 3.27Å; L172-V177 HydrophobicContact CD1-CG2 3.37Å; L172-E191 WeakPolarHBondContact CB-O 3.45Å; L172-E191 WeakPolarHBondContact CG-O 3.32Å; L172-E191 PolarHBondContact N-O 3.2Å; L172-I193 HydrophobicContact CD1-CD1 3.88Å; L172-I193 HydrophobicContact CD1-CG1 4.28Å; L172-I211 HydrophobicContact CD1-CG2 4.49Å; L172-I211 HydrophobicContact CD2-CG2 4.07Å; L172-Y213 HydrophobicContact CB-CD2 3.91Å; L172-Y213 HydrophobicContact CB-CE2 4.16Å; L172-Y213 HydrophobicContact CD1-CD2 4.45Å; L172-Y213 HydrophobicContact CD1-CG 4.31Å; L172-Y213 HydrophobicContact CD2-CD1 4.14Å; L172-Y213 HydrophobicContact CD2-CD2 4.1Å; L172-Y213 HydrophobicContact CD2-CE1 4.27Å; L172-Y213 HydrophobicContact CD2-CE2 4.22Å; L172-Y213 HydrophobicContact CD2-CG 4.07Å; L172-Y213 HydrophobicContact CG-CD2 4.38Å
173	A	96.3	Very high	96.7	Very high	29 Å²	29	54.5 Å²	54.5	24%	0.24	26%	0.264	C	S	.	.	S	Bend	trans	-74.6	-18.8	175.6	0	0	0	0	0	113.2	S39 Y213 N215 T217	S39-A173 VanDerWaalsContact O-CB 3.3Å; S39-A173 WeakPolarHBondContact O-CB 3.12Å; A173-Y213 HydrophobicContact CB-CE2 4.02Å; A173-N215 HydrophobicContact CB-CB 3.88Å; A173-N215 VanDerWaalsContact CB-CG 3.41Å; A173-N215 WeakPolarHBondContact CB-OD1 3.42Å; A173-T217 HydrophobicContact CB-CG2 4.48Å
174	S	95.6	Very high	96.3	Very high	17 Å²	17	56.8 Å²	56.8	12%	0.119	29%	0.288	C	S	.	.	S	Bend	trans	-157.6	164.1	-179.9	77.1	0	0	0	0	111.6	L172 T176 E214	L172-S174 VanDerWaalsContact C-N 3.27Å; S174-T176 PolarHBondContact O-N 3.07Å; S174-T176 PolarHBondContact OG-N 2.98Å; S174-E214 WeakPolarHBondContact OG-CB 3.43Å; S174-E214 PolarHBondContact OG-O 2.87Å
175	K	96.4	Very high	96.1	Very high	141 Å²	141	58.2 Å²	58.2	61%	0.613	31%	0.305	S	S	*	.	S	Bend	trans	-73.3	-12.6	175.2	65.4	-176.2	177.6	-175.2	0	113.6	V177 K188 E191	K175-V177 PolarHBondContact O-N 2.81Å; K175-K188 PolarHBondContact O-NZ 2.85Å; K175-E191 HydrophobicContact CB-CG 4.39Å
176	T	96.3	Very high	96	Very high	56 Å²	56	57.3 Å²	57.3	34%	0.344	30%	0.298	S	S	.	.			trans	-81.1	112.5	-178	-46.1	0	0	0	0	109.3	S174 E214	S174-T176 PolarHBondContact O-N 3.07Å; S174-T176 PolarHBondContact OG-N 2.98Å; T176-E214 WeakPolarHBondContact CB-OE2 3.5Å; T176-E214 HydrophobicContact CG2-CB 4.23Å; T176-E214 PolarHBondContact O-N 2.81Å; T176-E214 PolarHBondContact OG1-OE2 2.92Å
177	V	96.9	Very high	95.9	Very high	26 Å²	26	60 Å²	60	16%	0.158	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.8	-178.4	-175.5	0	0	0	0	108.3	L172 K175 Y180 K188 H212	L172-V177 HydrophobicContact CD1-CG2 3.37Å; K175-V177 PolarHBondContact O-N 2.81Å; V177-Y180 HydrophobicContact CG1-CD1 3.72Å; V177-Y180 HydrophobicContact CG1-CE1 4.46Å; V177-K188 HydrophobicContact CG2-CD 4.4Å; V177-H212 WeakPolarHBondContact CG1-O 3.35Å
178	E	96.7	Very high	95.8	Very high	116 Å²	116	61.4 Å²	61.4	54%	0.542	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-49.9	177.5	-70.8	-63.4	153.6	0	0	110.6	L148 H212	L148-E178 HydrophobicContact CD1-CG 3.94Å; L148-E178 HydrophobicContact CD2-CG 4.19Å; E178-H212 HydrophobicContact CB-CB 4.22Å; E178-H212 WeakPolarHBondContact CB-ND1 3.35Å; E178-H212 PolarHBondContact N-O 2.98Å
179	S	97.1	Very high	95.7	Very high	63 Å²	63	65.7 Å²	65.7	44%	0.441	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	151.3	178.1	63.1	0	0	0	0	112.1	H212	S179-H212 PolarHBondContact N-O 3.2Å; S179-H212 PolarHBondContact O-N 2.88Å
180	Y	97.3	Very high	95.5	Very high	44 Å²	44	65.9 Å²	65.9	17%	0.173	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	149.3	171.4	61.9	-80.9	0	0	0	109.5	V177 K182 P186 K188 I193 K210	V177-Y180 HydrophobicContact CG1-CD1 3.72Å; V177-Y180 HydrophobicContact CG1-CE1 4.46Å; Y180-K182 HydrophobicContact CD2-CD 4.16Å; Y180-K182 HydrophobicContact CE2-CD 3.96Å; Y180-K182 WeakPolarHBondContact O-CE 3.3Å; Y180-K182 PolarHBondContact OH-NZ 2.99Å; Y180-P186 HydrophobicContact CD2-CG 4.17Å; Y180-P186 HydrophobicContact CE2-CB 4.28Å; Y180-P186 HydrophobicContact CE2-CG 3.78Å; Y180-K188 HydrophobicContact CE1-CD 4.16Å; Y180-I193 HydrophobicContact CD1-CD1 4.16Å; Y180-I193 HydrophobicContact CD2-CD1 4.03Å; Y180-I193 HydrophobicContact CD2-CG2 3.93Å; Y180-I193 HydrophobicContact CE2-CD1 4.45Å; Y180-I193 HydrophobicContact CE2-CG2 3.89Å; Y180-I193 HydrophobicContact CG-CD1 3.83Å; Y180-K210 WeakPolarHBondContact CA-O 3.47Å
181	T	96.8	Very high	95.4	Very high	36 Å²	36	69.9 Å²	69.9	22%	0.221	37%	0.374	C	S	.	.			trans	-61.3	148.6	177.7	44.5	0	0	0	0	111.3	H155 Y195 L209 K210	H155-T181 PolarHBondContact CE1-OG1 2.82Å; H155-T181 WeakPolarHBondContact NE2-CB 3.47Å; H155-T181 PolarHBondContact NE2-OG1 2.82Å; T181-Y195 VanDerWaalsContact O-CE1 3.3Å; T181-Y195 WeakPolarHBondContact O-CE1 3.16Å; T181-Y195 PolarHBondContact O-OH 2.95Å; T181-Y195 VanDerWaalsContact O-OH 3.08Å; T181-Y195 PolarHBondContact OG1-OH 2.94Å; T181-L209 WeakPolarHBondContact OG1-CD1 3.48Å; T181-K210 HydrophobicContact CG2-CB 4.08Å; T181-K210 PolarHBondContact N-O 3Å; T181-K210 VanDerWaalsContact N-O 3.16Å
182	K	94.8	Very high	95.4	Very high	119 Å²	119	67 Å²	67	52%	0.517	37%	0.367	S	S	.	.			trans	-113	22.6	-169.6	-58.3	-61.7	-174.9	177.3	0	114	Y180 G184 N185 P186	Y180-K182 HydrophobicContact CD2-CD 4.16Å; Y180-K182 HydrophobicContact CE2-CD 3.96Å; Y180-K182 WeakPolarHBondContact O-CE 3.3Å; Y180-K182 PolarHBondContact OH-NZ 2.99Å; K182-G184 PolarHBondContact O-N 2.9Å; K182-N185 PolarHBondContact O-N 2.83Å; K182-P186 VanDerWaalsContact C-CD 3.48Å; K182-P186 HydrophobicContact CD-CG 4.22Å; K182-P186 WeakPolarHBondContact O-CD 3.37Å
183	L	94.1	Very high	95.4	Very high	55 Å²	55	67 Å²	67	29%	0.288	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	123.9	-179.6	-175	71.2	0	0	0	110.8	H155 Y156 F198	H155-L183 HydrophobicContact CB-CD2 3.78Å; Y156-L183 HydrophobicContact CE2-CD2 4.42Å; L183-F198 HydrophobicContact CD2-CE1 3.99Å; L183-F198 HydrophobicContact CD2-CZ 4.03Å; L183-F198 HydrophobicContact CG-CE1 4.03Å; L183-F198 HydrophobicContact CG-CZ 4.34Å
184	G	88.1	Confident	95.4	Very high	50 Å²	50	68.6 Å²	68.6	52%	0.515	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	22.7	176.9	0	0	0	0	0	115.3	K182	K182-G184 PolarHBondContact O-N 2.9Å
185	N	91.7	Very high	95.5	Very high	154 Å²	154	67.9 Å²	67.9	82%	0.824	36%	0.364	S	S	*	.			trans	53.3	62	-179.4	-63.2	-38.1	0	0	0	113.3	K182	K182-N185 PolarHBondContact O-N 2.83Å
186	P	94.8	Very high	95.3	Very high	15 Å²	15	62.4 Å²	62.4	10%	0.097	35%	0.348	C	S	.	.			trans	-62.9	141.2	-175.5	26.2	-34.8	0	0	0	112.3	Y180 K182 I193 E194 Y195	Y180-P186 HydrophobicContact CD2-CG 4.17Å; Y180-P186 HydrophobicContact CE2-CB 4.28Å; Y180-P186 HydrophobicContact CE2-CG 3.78Å; K182-P186 VanDerWaalsContact C-CD 3.48Å; K182-P186 HydrophobicContact CD-CG 4.22Å; K182-P186 WeakPolarHBondContact O-CD 3.37Å; P186-I193 HydrophobicContact CB-CG2 4.15Å; P186-E194 CarbonylContact C-O 3.59Å; P186-E194 WeakPolarHBondContact CA-O 3.29Å; P186-E194 WeakPolarHBondContact CB-O 3.45Å; P186-Y195 HydrophobicContact CB-CD1 3.68Å; P186-Y195 HydrophobicContact CB-CE1 3.78Å; P186-Y195 HydrophobicContact CB-CG 4.07Å; P186-Y195 HydrophobicContact CG-CD1 4.04Å; P186-Y195 HydrophobicContact CG-CE1 3.75Å
187	S	95.2	Very high	95.2	Very high	56 Å²	56	63.8 Å²	63.8	39%	0.392	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	142.9	172	64.5	0	0	0	0	109.8	I193 E194	S187-I193 CarbonylContact O-C 3.38Å; S187-I193 WeakPolarHBondContact O-CA 3.37Å; S187-E194 PolarHBondContact N-O 2.58Å; S187-E194 PolarHBondContact O-N 2.93Å
188	K	94.8	Very high	95.1	Very high	78 Å²	78	63.5 Å²	63.5	34%	0.339	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.7	171.8	179.2	-170.4	173.4	-163.3	0	108.3	K175 V177 Y180 D190 I192 I193	K175-K188 PolarHBondContact O-NZ 2.85Å; V177-K188 HydrophobicContact CG2-CD 4.4Å; Y180-K188 HydrophobicContact CE1-CD 4.16Å; K188-D190 WeakPolarHBondContact CE-O 3.19Å; K188-I192 WeakPolarHBondContact CA-O 3.27Å; K188-I193 HydrophobicContact CB-CG1 4.4Å; K188-I193 HydrophobicContact CG-CG1 4.12Å
189	T	94.9	Very high	95	Very high	90 Å²	90	67.6 Å²	67.6	55%	0.552	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	113.7	175.7	-52.1	0	0	0	0	107.6	E191 I192	T189-E191 PolarHBondContact O-N 2.87Å; T189-E191 VanDerWaalsContact O-N 3.09Å; T189-I192 PolarHBondContact N-O 2.85Å; T189-I192 PolarHBondContact O-N 2.73Å
190	D	94.3	Very high	94.8	Very high	119 Å²	119	70.6 Å²	70.6	64%	0.636	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	-111.1	-175.8	-60.1	-43.9	0	0	0	113.2	K188	K188-D190 WeakPolarHBondContact CE-O 3.19Å
191	E	96.1	Very high	94.7	Very high	84 Å²	84	69 Å²	69	39%	0.393	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.8	-177.6	-60.5	174.3	173.8	0	0	112.5	L172 K175 T189	L172-E191 WeakPolarHBondContact CB-O 3.45Å; L172-E191 WeakPolarHBondContact CG-O 3.32Å; L172-E191 PolarHBondContact N-O 3.2Å; K175-E191 HydrophobicContact CB-CG 4.39Å; T189-E191 PolarHBondContact O-N 2.87Å; T189-E191 VanDerWaalsContact O-N 3.09Å
192	I	97.8	Very high	94.5	Very high	60 Å²	60	70.1 Å²	70.1	31%	0.308	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.3	-173.5	-59.1	177.3	0	0	0	110.1	R169 V170 K188 T189 E194	R169-I192 HydrophobicContact CG-CG2 3.49Å; R169-I192 VanDerWaalsContact CG-CG2 3.49Å; V170-I192 CarbonylContact O-C 3.6Å; V170-I192 WeakPolarHBondContact O-CA 3.49Å; K188-I192 WeakPolarHBondContact CA-O 3.27Å; T189-I192 PolarHBondContact N-O 2.85Å; T189-I192 PolarHBondContact O-N 2.73Å; I192-E194 HydrophobicContact CG2-CG 3.94Å
193	I	97.7	Very high	94.4	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.1	169.3	-55.1	173.8	0	0	0	108.3	V170 L172 Y180 P186 S187 K188 Y195 I211	V170-I193 HydrophobicContact CB-CB 4.41Å; V170-I193 PolarHBondContact N-O 2.91Å; V170-I193 PolarHBondContact O-N 3.32Å; L172-I193 HydrophobicContact CD1-CD1 3.88Å; L172-I193 HydrophobicContact CD1-CG1 4.28Å; Y180-I193 HydrophobicContact CD1-CD1 4.16Å; Y180-I193 HydrophobicContact CD2-CD1 4.03Å; Y180-I193 HydrophobicContact CD2-CG2 3.93Å; Y180-I193 HydrophobicContact CE2-CD1 4.45Å; Y180-I193 HydrophobicContact CE2-CG2 3.89Å; Y180-I193 HydrophobicContact CG-CD1 3.83Å; P186-I193 HydrophobicContact CB-CG2 4.15Å; S187-I193 CarbonylContact O-C 3.38Å; S187-I193 WeakPolarHBondContact O-CA 3.37Å; K188-I193 HydrophobicContact CB-CG1 4.4Å; K188-I193 HydrophobicContact CG-CG1 4.12Å; I193-Y195 HydrophobicContact CB-CE2 4.22Å; I193-Y195 HydrophobicContact CG2-CD2 3.95Å; I193-Y195 HydrophobicContact CG2-CE2 3.38Å; I193-I211 HydrophobicContact CD1-CD1 4.5Å; I193-I211 HydrophobicContact CD1-CG2 4.33Å
194	E	97.3	Very high	94.2	Very high	62 Å²	62	66.6 Å²	66.6	29%	0.29	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.4	176.5	-57.1	-169.1	147.8	0	0	110.8	T168 R169 P186 S187 I192	T168-E194 WeakPolarHBondContact O-CA 3.28Å; R169-E194 HydrophobicContact CG-CG 4.39Å; R169-E194 IonicContact CZ-OE1 3.65Å; R169-E194 VanDerWaalsContact CZ-OE1 3.23Å; R169-E194 IonicContact NE-OE1 3.19Å; R169-E194 PolarHBondContact NE-OE1 2.94Å; R169-E194 IonicContact NH2-OE1 2.93Å; R169-E194 PolarHBondContact NH2-OE1 2.8Å; P186-E194 CarbonylContact C-O 3.59Å; P186-E194 WeakPolarHBondContact CA-O 3.29Å; P186-E194 WeakPolarHBondContact CB-O 3.45Å; S187-E194 PolarHBondContact N-O 2.58Å; S187-E194 PolarHBondContact O-N 2.93Å; I192-E194 HydrophobicContact CG2-CG 3.94Å
195	Y	96.8	Very high	94.4	Very high	1 Å²	1	65.4 Å²	65.4	0%	0.004	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.6	176.1	-68.8	-95	0	0	0	110.3	H155 T168 V170 T181 P186 I193 L209	H155-Y195 AromaticContact CD2-CD1 3.66Å; H155-Y195 AromaticContact CD2-CE1 3.65Å; H155-Y195 AromaticContact NE2-CD1 3.98Å; H155-Y195 AromaticContact NE2-CE1 3.51Å; T168-Y195 PolarHBondContact N-O 2.98Å; T168-Y195 PolarHBondContact O-N 2.82Å; V170-Y195 HydrophobicContact CG2-CD2 4.22Å; V170-Y195 HydrophobicContact CG2-CE2 4.05Å; T181-Y195 VanDerWaalsContact O-CE1 3.3Å; T181-Y195 WeakPolarHBondContact O-CE1 3.16Å; T181-Y195 PolarHBondContact O-OH 2.95Å; T181-Y195 VanDerWaalsContact O-OH 3.08Å; T181-Y195 PolarHBondContact OG1-OH 2.94Å; P186-Y195 HydrophobicContact CB-CD1 3.68Å; P186-Y195 HydrophobicContact CB-CE1 3.78Å; P186-Y195 HydrophobicContact CB-CG 4.07Å; P186-Y195 HydrophobicContact CG-CD1 4.04Å; P186-Y195 HydrophobicContact CG-CE1 3.75Å; I193-Y195 HydrophobicContact CB-CE2 4.22Å; I193-Y195 HydrophobicContact CG2-CD2 3.95Å; I193-Y195 HydrophobicContact CG2-CE2 3.38Å; Y195-L209 HydrophobicContact CE1-CD1 4.22Å; Y195-L209 HydrophobicContact CE2-CD1 3.84Å; Y195-L209 WeakPolarHBondContact OH-CD1 3.31Å
196	G	91.7	Very high	94.4	Very high	27 Å²	27	63.3 Å²	63.3	28%	0.278	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	88.3	-165.6	-177.1	0	0	0	0	0	112.7
197	P	93.8	Very high	94.3	Very high	85 Å²	85	65.8 Å²	65.8	55%	0.552	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-69.7	128	10.7	27.7	-34.8	0	0	0	112.7	Q166	Q166-P197 CarbonylContact O-C 3.55Å; Q166-P197 WeakPolarHBondContact O-CA 3.29Å
198	F	95.1	Very high	94.3	Very high	19 Å²	19	66.8 Å²	66.8	8%	0.083	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	134.3	169.3	-54.8	-61.7	0	0	0	109	Y156 S165 Q166 L183 V201	Y156-F198 HydrophobicContact CD1-CD2 4.14Å; Y156-F198 HydrophobicContact CD1-CG 4.35Å; Y156-F198 HydrophobicContact CE1-CB 4.12Å; Y156-F198 HydrophobicContact CE1-CD1 4.1Å; Y156-F198 AromaticContact CE1-CD2 3.97Å; Y156-F198 HydrophobicContact CE1-CD2 3.97Å; Y156-F198 HydrophobicContact CE1-CE2 4.39Å; Y156-F198 AromaticContact CE1-CG 3.8Å; Y156-F198 HydrophobicContact CE1-CG 3.8Å; S165-F198 WeakPolarHBondContact CA-O 3.35Å; Q166-F198 HydrophobicContact CB-CB 4.48Å; Q166-F198 PolarHBondContact N-O 3.18Å; Q166-F198 PolarHBondContact O-N 3.16Å; L183-F198 HydrophobicContact CD2-CE1 3.99Å; L183-F198 HydrophobicContact CD2-CZ 4.03Å; L183-F198 HydrophobicContact CG-CE1 4.03Å; L183-F198 HydrophobicContact CG-CZ 4.34Å; F198-V201 HydrophobicContact CB-CG2 3.85Å
199	R	95.5	Very high	94.3	Very high	202 Å²	202	63.1 Å²	63.1	76%	0.762	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.6	179.7	-65.2	-172.7	179.5	-174.7	-0.4	110.9	R164 V201	R164-R199 CarbonylContact O-C 3.57Å; R164-R199 VanDerWaalsContact O-CA 3.32Å; R164-R199 WeakPolarHBondContact O-CA 3.25Å; R199-V201 PolarHBondContact O-N 3.05Å
200	D	93.5	Very high	94.5	Very high	126 Å²	126	63.5 Å²	63.5	67%	0.674	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.7	55.6	171.7	-56.7	-51.1	0	0	0	113.5	T163 R164	T163-D200 CarbonylContact O-C 3.56Å; T163-D200 WeakPolarHBondContact O-CA 3.22Å; R164-D200 PolarHBondContact O-N 3.35Å
201	V	94.1	Very high	94.6	Very high	12 Å²	12	57.9 Å²	57.9	7%	0.073	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	127.3	177.6	-179.1	0	0	0	0	109.5	Y156 T163 F198 R199 S205	Y156-V201 HydrophobicContact CD1-CB 4.49Å; Y156-V201 HydrophobicContact CD1-CG1 3.75Å; Y156-V201 HydrophobicContact CD1-CG2 3.84Å; Y156-V201 HydrophobicContact CE1-CG1 4.36Å; Y156-V201 HydrophobicContact CE1-CG2 3.99Å; Y156-V201 HydrophobicContact CG-CG1 3.92Å; T163-V201 PolarHBondContact N-O 2.91Å; T163-V201 PolarHBondContact O-N 3.14Å; F198-V201 HydrophobicContact CB-CG2 3.85Å; R199-V201 PolarHBondContact O-N 3.05Å; V201-S205 WeakPolarHBondContact CG1-OG 3.44Å
202	A	93.5	Very high	94.7	Very high	59 Å²	59	55 Å²	55	49%	0.488	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-69.8	156.2	-178.8	0	0	0	0	0	112.1	S205	A202-S205 PolarHBondContact N-OG 2.7Å; A202-S205 WeakPolarHBondContact O-CB 3.36Å; A202-S205 PolarHBondContact O-N 3.26Å; A202-S205 PolarHBondContact O-OG 3.05Å
203	P	91.8	Very high	94.8	Very high	61 Å²	61	52.1 Å²	52.1	40%	0.396	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	140.4	170.6	-25.2	34.8	0	0	0	111.9	P162 S205	P162-P203 HydrophobicContact CB-CG 4.23Å; P203-S205 PolarHBondContact O-N 2.69Å
204	F	90.4	Very high	94.8	Very high	39 Å²	39	52.8 Å²	52.8	17%	0.171	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	35.7	179	-54.2	-73.9	0	0	0	114.1	I98 Q101 F107 Y158 S159 P160 E206	I98-F204 HydrophobicContact CD1-CZ 4.17Å; Q101-F204 VanDerWaalsContact CD-CE2 3.49Å; Q101-F204 VanDerWaalsContact OE1-CE2 3.31Å; F107-F204 AromaticContact CE1-CE1 3.87Å; F107-F204 HydrophobicContact CE1-CE1 3.87Å; F107-F204 HydrophobicContact CZ-CE1 4.35Å; Y158-F204 HydrophobicContact CE1-CD1 4.17Å; Y158-F204 HydrophobicContact CE2-CB 4.03Å; Y158-F204 AromaticContact CE2-CD1 3.99Å; Y158-F204 HydrophobicContact CE2-CD1 3.99Å; Y158-F204 AromaticContact CZ-CD1 3.77Å; S159-F204 PolarHBondContact O-N 2.81Å; P160-F204 HydrophobicContact CB-CE1 3.84Å; P160-F204 HydrophobicContact CB-CE2 3.88Å; P160-F204 HydrophobicContact CB-CZ 3.35Å; F204-E206 PolarHBondContact O-N 2.63Å
205	S	91.9	Very high	94.8	Very high	25 Å²	25	49.9 Å²	49.9	18%	0.175	28%	0.275	C	S	.	.			trans	-68.7	131.4	174.7	-67.9	0	0	0	0	110.9	N154 V201 A202 P203	N154-S205 PolarHBondContact ND2-O 2.92Å; N154-S205 VanDerWaalsContact ND2-O 3.1Å; V201-S205 WeakPolarHBondContact CG1-OG 3.44Å; A202-S205 PolarHBondContact N-OG 2.7Å; A202-S205 WeakPolarHBondContact O-CB 3.36Å; A202-S205 PolarHBondContact O-N 3.26Å; A202-S205 PolarHBondContact O-OG 3.05Å; P203-S205 PolarHBondContact O-N 2.69Å
206	E	91.3	Very high	94.7	Very high	109 Å²	109	51.3 Å²	51.3	51%	0.509	28%	0.283	S	S	.	.			trans	-127.6	128.2	179.3	-70.4	173.3	-173.8	0	0	108.9	Y158 F204	Y158-E206 HydrophobicContact CD2-CG 3.85Å; Y158-E206 HydrophobicContact CE2-CG 3.7Å; Y158-E206 WeakPolarHBondContact CE2-OE1 3.5Å; Y158-E206 PolarHBondContact OH-OE1 3.4Å; F204-E206 PolarHBondContact O-N 2.63Å
207	D	93.8	Very high	94.9	Very high	67 Å²	67	52 Å²	52	36%	0.358	28%	0.282	S	S	.	.			trans	-148.6	135.2	167.8	-175.9	81.7	0	0	0	109.9	N154 H155 Y156 L209	N154-D207 CarbonylContact C-O 3.56Å; N154-D207 WeakPolarHBondContact CA-O 3.41Å; N154-D207 PolarHBondContact OD1-N 3.24Å; N154-D207 PolarHBondContact OD1-O 3.36Å; H155-D207 HydrophobicContact CB-CB 4.38Å; H155-D207 IonicContact CE1-OD2 3.05Å; H155-D207 PolarHBondContact CE1-OD2 2.83Å; H155-D207 IonicContact CG-OD2 3.97Å; H155-D207 PolarHBondContact N-O 2.94Å; H155-D207 PolarHBondContact ND1-O 3.35Å; H155-D207 IonicContact ND1-OD2 3.46Å; H155-D207 PolarHBondContact ND1-OD2 3.32Å; Y156-D207 HydrophobicContact CD2-CB 3.93Å; Y156-D207 HydrophobicContact CE2-CB 3.58Å; D207-L209 PolarHBondContact O-N 3.24Å; D207-L209 VanDerWaalsContact O-N 3.14Å
208	A	94.1	Very high	94.9	Very high	77 Å²	77	51.6 Å²	51.6	64%	0.636	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	109.8	-168.5	0	0	0	0	0	112.2	H155	H155-A208 PolarHBondContact CE1-O 3.38Å; H155-A208 PolarHBondContact ND1-O 2.97Å
209	L	95.9	Very high	94.9	Very high	2 Å²	2	51 Å²	51	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.4	168.4	172.9	64.4	0	0	0	109	F151 Q152 G153 H155 T181 Y195 D207 I211	F151-L209 HydrophobicContact CE1-CD2 4.32Å; Q152-L209 CarbonylContact C-O 3.59Å; Q152-L209 WeakPolarHBondContact CA-O 3.43Å; G153-L209 PolarHBondContact N-O 2.9Å; G153-L209 WeakPolarHBondContact O-CB 3.31Å; G153-L209 PolarHBondContact O-N 3.1Å; H155-L209 PolarHBondContact ND1-N 3.36Å; T181-L209 WeakPolarHBondContact OG1-CD1 3.48Å; Y195-L209 HydrophobicContact CE1-CD1 4.22Å; Y195-L209 HydrophobicContact CE2-CD1 3.84Å; Y195-L209 WeakPolarHBondContact OH-CD1 3.31Å; D207-L209 PolarHBondContact O-N 3.24Å; D207-L209 VanDerWaalsContact O-N 3.14Å; L209-I211 HydrophobicContact CD1-CD1 4.02Å; L209-I211 HydrophobicContact CD1-CG1 4.01Å; L209-I211 HydrophobicContact CG-CD1 4.41Å; L209-I211 HydrophobicContact CG-CG1 4.45Å
210	K	97.5	Very high	95	Very high	98 Å²	98	41.4 Å²	41.4	43%	0.426	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	128.9	175.6	-172.7	178.7	-177.6	-178.7	0	110.4	V150 F151 Q152 Y180 T181	V150-K210 HydrophobicContact CG1-CD 4.43Å; V150-K210 HydrophobicContact CG1-CG 4.03Å; F151-K210 WeakPolarHBondContact O-CA 3.23Å; Q152-K210 HydrophobicContact CG-CG 4.21Å; Y180-K210 WeakPolarHBondContact CA-O 3.47Å; T181-K210 HydrophobicContact CG2-CB 4.08Å; T181-K210 PolarHBondContact N-O 3Å; T181-K210 VanDerWaalsContact N-O 3.16Å
211	I	98	Very high	95.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.6	-179.7	-55.1	174	0	0	0	108.9	V150 F151 V170 L172 I193 L209 Y213	V150-I211 CarbonylContact C-O 3.52Å; V150-I211 VanDerWaalsContact CA-O 3.3Å; V150-I211 WeakPolarHBondContact CA-O 3.41Å; F151-I211 PolarHBondContact N-O 2.84Å; F151-I211 PolarHBondContact O-N 3.06Å; V170-I211 HydrophobicContact CB-CD1 4.12Å; V170-I211 HydrophobicContact CG1-CD1 3.64Å; V170-I211 HydrophobicContact CG2-CD1 4Å; L172-I211 HydrophobicContact CD1-CG2 4.49Å; L172-I211 HydrophobicContact CD2-CG2 4.07Å; I193-I211 HydrophobicContact CD1-CD1 4.5Å; I193-I211 HydrophobicContact CD1-CG2 4.33Å; L209-I211 HydrophobicContact CD1-CD1 4.02Å; L209-I211 HydrophobicContact CD1-CG1 4.01Å; L209-I211 HydrophobicContact CG-CD1 4.41Å; L209-I211 HydrophobicContact CG-CG1 4.45Å; I211-Y213 HydrophobicContact CG2-CD1 3.89Å; I211-Y213 HydrophobicContact CG2-CG 4.47Å
212	H	98.4	Very high	95.5	Very high	24 Å²	24	35 Å²	35	11%	0.111	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.9	176.4	-177.1	-158.3	0	0	0	108.9	F137 L148 V149 V150 V177 E178 S179	F137-H212 AromaticContact CD1-CE1 3.58Å; F137-H212 AromaticContact CD1-NE2 3.71Å; F137-H212 PolarHBondContact O-NE2 3.23Å; L148-H212 WeakPolarHBondContact CB-NE2 3.39Å; V149-H212 WeakPolarHBondContact O-CA 3.29Å; V149-H212 PolarHBondContact O-CD2 2.84Å; V150-H212 HydrophobicContact CG2-CB 3.94Å; V177-H212 WeakPolarHBondContact CG1-O 3.35Å; E178-H212 HydrophobicContact CB-CB 4.22Å; E178-H212 WeakPolarHBondContact CB-ND1 3.35Å; E178-H212 PolarHBondContact N-O 2.98Å; S179-H212 PolarHBondContact N-O 3.2Å; S179-H212 PolarHBondContact O-N 2.88Å
213	Y	98.3	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	166.2	-169.7	70.8	-73.7	0	0	0	111.7	L38 L148 V149 L172 A173 I211 N215	L38-Y213 HydrophobicContact CB-CE1 4.47Å; L38-Y213 VanDerWaalsContact CB-OH 3.31Å; L38-Y213 WeakPolarHBondContact CB-OH 3.07Å; L38-Y213 HydrophobicContact CD1-CE1 4.38Å; L38-Y213 PolarHBondContact O-OH 2.87Å; L148-Y213 CarbonylContact C-O 3.55Å; L148-Y213 VanDerWaalsContact CA-O 3.3Å; L148-Y213 WeakPolarHBondContact CA-O 3.28Å; V149-Y213 HydrophobicContact CG2-CD1 4.08Å; V149-Y213 HydrophobicContact CG2-CE1 3.48Å; V149-Y213 VanDerWaalsContact CG2-CE1 3.48Å; V149-Y213 HydrophobicContact CG2-CE2 4.18Å; V149-Y213 PolarHBondContact N-O 3.48Å; V149-Y213 PolarHBondContact O-N 3.11Å; L172-Y213 HydrophobicContact CB-CD2 3.91Å; L172-Y213 HydrophobicContact CB-CE2 4.16Å; L172-Y213 HydrophobicContact CD1-CD2 4.45Å; L172-Y213 HydrophobicContact CD1-CG 4.31Å; L172-Y213 HydrophobicContact CD2-CD1 4.14Å; L172-Y213 HydrophobicContact CD2-CD2 4.1Å; L172-Y213 HydrophobicContact CD2-CE1 4.27Å; L172-Y213 HydrophobicContact CD2-CE2 4.22Å; L172-Y213 HydrophobicContact CD2-CG 4.07Å; L172-Y213 HydrophobicContact CG-CD2 4.38Å; A173-Y213 HydrophobicContact CB-CE2 4.02Å; I211-Y213 HydrophobicContact CG2-CD1 3.89Å; I211-Y213 HydrophobicContact CG2-CG 4.47Å; Y213-N215 HydrophobicContact CD2-CB 4.33Å; Y213-N215 HydrophobicContact CE2-CB 3.73Å; Y213-N215 PolarHBondContact OH-ND2 2.86Å
214	E	98	Very high	96	Very high	13 Å²	13	33.1 Å²	33.1	6%	0.061	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.3	177.3	-175.2	-167.6	165.4	0	0	111.3	R146 Q147 L148 S174 T176 N216	R146-E214 HydrophobicContact CB-CG 4.3Å; R146-E214 VanDerWaalsContact CD-OE1 3.23Å; R146-E214 WeakPolarHBondContact CD-OE1 3.4Å; R146-E214 IonicContact CZ-OE1 3.64Å; R146-E214 IonicContact NE-OE1 3.82Å; R146-E214 IonicContact NH1-OE1 2.7Å; R146-E214 PolarHBondContact NH1-OE1 2.98Å; Q147-E214 WeakPolarHBondContact O-CA 3.43Å; L148-E214 HydrophobicContact CD2-CB 3.67Å; L148-E214 HydrophobicContact CD2-CG 4.29Å; S174-E214 WeakPolarHBondContact OG-CB 3.43Å; S174-E214 PolarHBondContact OG-O 2.87Å; T176-E214 WeakPolarHBondContact CB-OE2 3.5Å; T176-E214 HydrophobicContact CG2-CB 4.23Å; T176-E214 PolarHBondContact O-N 2.81Å; T176-E214 PolarHBondContact OG1-OE2 2.92Å; E214-N216 PolarHBondContact OE1-ND2 2.88Å
215	N	97.6	Very high	96.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.181	C	C	.	.			trans	-143.3	100.1	176.6	-170.3	-10.2	0	0	0	110.1	T40 Q147 V149 A173 Y213 T217 F219	T40-N215 PolarHBondContact O-ND2 3.35Å; T40-N215 VanDerWaalsContact O-ND2 3.07Å; Q147-N215 WeakPolarHBondContact CB-O 3.35Å; Q147-N215 WeakPolarHBondContact CG-O 2.99Å; Q147-N215 PolarHBondContact NE2-O 2.95Å; Q147-N215 PolarHBondContact O-N 2.86Å; V149-N215 HydrophobicContact CG1-CB 4.38Å; V149-N215 HydrophobicContact CG2-CB 3.71Å; A173-N215 HydrophobicContact CB-CB 3.88Å; A173-N215 VanDerWaalsContact CB-CG 3.41Å; A173-N215 WeakPolarHBondContact CB-OD1 3.42Å; Y213-N215 HydrophobicContact CD2-CB 4.33Å; Y213-N215 HydrophobicContact CE2-CB 3.73Å; Y213-N215 PolarHBondContact OH-ND2 2.86Å; N215-T217 WeakPolarHBondContact OD1-CB 3.49Å; N215-T217 WeakPolarHBondContact OD1-CG2 3.47Å; N215-T217 PolarHBondContact OD1-N 2.93Å; N215-T217 VanDerWaalsContact OD1-N 3.13Å; N215-T217 PolarHBondContact OD1-OG1 3.37Å; N215-F219 HydrophobicContact CB-CE2 4.44Å
216	N	95.2	Very high	96.7	Very high	31 Å²	31	32 Å²	32	17%	0.166	18%	0.184	C	C	.	.			trans	-101.1	17.9	177.2	-48.6	-75.8	0	0	0	113	R146 Q147 E214 I269	R146-N216 WeakPolarHBondContact CA-OD1 3.49Å; Q147-N216 PolarHBondContact N-OD1 3.29Å; E214-N216 PolarHBondContact OE1-ND2 2.88Å; N216-I269 HydrophobicContact CB-CG2 3.67Å
217	T	95.1	Very high	97.1	Very high	43 Å²	43	26.9 Å²	26.9	26%	0.264	16%	0.16	S	C	.	.	S	Bend	trans	-61.8	161	173.2	57.3	0	0	0	0	110.7	S39 A173 N215 F219	S39-T217 VanDerWaalsContact O-CG2 3.26Å; S39-T217 WeakPolarHBondContact O-CG2 3.34Å; A173-T217 HydrophobicContact CB-CG2 4.48Å; N215-T217 WeakPolarHBondContact OD1-CB 3.49Å; N215-T217 WeakPolarHBondContact OD1-CG2 3.47Å; N215-T217 PolarHBondContact OD1-N 2.93Å; N215-T217 VanDerWaalsContact OD1-N 3.13Å; N215-T217 PolarHBondContact OD1-OG1 3.37Å; T217-F219 VanDerWaalsContact O-CD2 3.28Å; T217-F219 WeakPolarHBondContact O-CD2 3.45Å; T217-F219 PolarHBondContact O-N 2.93Å; T217-F219 VanDerWaalsContact O-N 3.08Å
218	P	93.3	Very high	97.3	Very high	76 Å²	76	25 Å²	25	49%	0.494	15%	0.151	S	C	.	.			trans	-59.3	109.9	175	-28.3	38.4	0	0	0	111.9	H41 L220 V272	H41-P218 PolarHBondContact CD2-O 3.03Å; P218-L220 HydrophobicContact CB-CG 4.46Å; P218-L220 PolarHBondContact O-N 2.83Å; P218-V272 HydrophobicContact CB-CG2 3.69Å; P218-V272 HydrophobicContact CG-CG2 4.39Å
219	F	96.9	Very high	97.5	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.022	12%	0.121	C	C	.	.			trans	-91.5	76.9	173.2	-85.2	-128.3	0	0	0	109.2	H41 L134 Q147 V149 N215 T217 H247 T248 G249	H41-F219 HydrophobicContact CB-CB 4.44Å; H41-F219 HydrophobicContact CB-CD1 3.86Å; H41-F219 HydrophobicContact CB-CD2 3.77Å; H41-F219 HydrophobicContact CB-CE1 3.97Å; H41-F219 HydrophobicContact CB-CE2 3.9Å; H41-F219 HydrophobicContact CB-CG 3.77Å; H41-F219 HydrophobicContact CB-CZ 3.99Å; L134-F219 HydrophobicContact CB-CE1 4.02Å; L134-F219 HydrophobicContact CB-CZ 4.28Å; L134-F219 HydrophobicContact CD1-CZ 4.1Å; Q147-F219 VanDerWaalsContact NE2-CD2 3.31Å; Q147-F219 VanDerWaalsContact NE2-CE2 3.28Å; V149-F219 HydrophobicContact CG1-CE1 4.08Å; V149-F219 HydrophobicContact CG1-CZ 3.87Å; N215-F219 HydrophobicContact CB-CE2 4.44Å; T217-F219 VanDerWaalsContact O-CD2 3.28Å; T217-F219 WeakPolarHBondContact O-CD2 3.45Å; T217-F219 PolarHBondContact O-N 2.93Å; T217-F219 VanDerWaalsContact O-N 3.08Å; F219-H247 CarbonylContact O-C 3.51Å; F219-H247 VanDerWaalsContact O-CA 3.25Å; F219-H247 WeakPolarHBondContact O-CA 3.44Å; F219-H247 PolarHBondContact O-ND1 3.4Å; F219-T248 PolarHBondContact O-N 3.12Å; F219-T248 PolarHBondContact O-OG1 3.05Å; F219-G249 VanDerWaalsContact CB-N 3.33Å
220	L	97.4	Very high	97.6	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	148.5	176.5	-70.1	-178.4	0	0	0	111.6	H41 P218 L245 V272 F275 L317 Y355 V359	H41-L220 PolarHBondContact CD2-O 2.83Å; H41-L220 PolarHBondContact NE2-O 2.87Å; H41-L220 VanDerWaalsContact NE2-O 3.14Å; P218-L220 HydrophobicContact CB-CG 4.46Å; P218-L220 PolarHBondContact O-N 2.83Å; L220-L245 HydrophobicContact CB-CD1 4.14Å; L220-L245 HydrophobicContact CD1-CD1 4.48Å; L220-L245 HydrophobicContact CD1-CD2 4.1Å; L220-L245 HydrophobicContact CD2-CD1 4.45Å; L220-L245 HydrophobicContact CD2-CD2 4.01Å; L220-L245 HydrophobicContact CD2-CG 4.14Å; L220-V272 HydrophobicContact CD1-CG1 4.13Å; L220-V272 HydrophobicContact CD2-CB 4.33Å; L220-V272 HydrophobicContact CD2-CG1 4.45Å; L220-V272 HydrophobicContact CD2-CG2 3.94Å; L220-V272 HydrophobicContact CG-CG2 4.07Å; L220-F275 HydrophobicContact CD1-CD1 3.97Å; L220-F275 HydrophobicContact CD1-CG 4.4Å; L220-L317 HydrophobicContact CD2-CD1 3.93Å; L220-Y355 VanDerWaalsContact C-OH 3.29Å; L220-Y355 HydrophobicContact CB-CE1 4.18Å; L220-Y355 HydrophobicContact CB-CE2 3.87Å; L220-Y355 HydrophobicContact CD1-CD2 4.36Å; L220-Y355 HydrophobicContact CD1-CE2 4.43Å; L220-Y355 HydrophobicContact CD1-CG 4.44Å; L220-Y355 PolarHBondContact O-OH 3.23Å; L220-V359 WeakPolarHBondContact O-CG1 3.35Å
221	T	98.3	Very high	97.6	Very high	2 Å²	2	19 Å²	19	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	127.2	172.3	-58.7	0	0	0	0	109.1	H132 T223 R246 T248 V359 D361	H132-T221 VanDerWaalsContact CE1-CG2 3.49Å; H132-T221 WeakPolarHBondContact CE1-CG2 3.48Å; H132-T221 PolarHBondContact CE1-OG1 3.22Å; T221-T223 PolarHBondContact O-N 2.87Å; T221-R246 PolarHBondContact N-O 3.26Å; T221-R246 PolarHBondContact O-N 3.01Å; T221-T248 HydrophobicContact CG2-CG2 4.37Å; T221-T248 VanDerWaalsContact OG1-CG2 3.25Å; T221-T248 WeakPolarHBondContact OG1-CG2 3.42Å; T221-T248 PolarHBondContact OG1-OG1 2.84Å; T221-V359 HydrophobicContact CG2-CG1 4.03Å; T221-D361 VanDerWaalsContact CG2-OD2 3.31Å; T221-D361 WeakPolarHBondContact CG2-OD2 3.36Å
222	I	98.6	Very high	97.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	100.8	170.1	-63	163.7	0	0	0	106.9	S224 I225 I243 D244 L245 V354 Y355 V359 I360 D361	I222-S224 VanDerWaalsContact C-N 3.32Å; I222-S224 WeakPolarHBondContact CG2-O 3.25Å; I222-I225 HydrophobicContact CG2-CB 3.79Å; I222-I225 HydrophobicContact CG2-CG2 4.19Å; I222-I243 HydrophobicContact CG1-CG2 4.17Å; I222-I243 HydrophobicContact CG2-CG2 4.09Å; I222-D244 CarbonylContact C-O 3.54Å; I222-D244 WeakPolarHBondContact CA-O 3.3Å; I222-L245 HydrophobicContact CG1-CD1 3.64Å; I222-V354 HydrophobicContact CD1-CB 3.84Å; I222-V354 HydrophobicContact CD1-CG1 3.89Å; I222-V354 HydrophobicContact CD1-CG2 3.88Å; I222-Y355 HydrophobicContact CD1-CD1 4.27Å; I222-Y355 HydrophobicContact CD1-CE1 3.76Å; I222-Y355 HydrophobicContact CG1-CE1 3.89Å; I222-V359 WeakPolarHBondContact CB-O 3.26Å; I222-V359 PolarHBondContact N-O 3.34Å; I222-I360 HydrophobicContact CB-CB 4.39Å; I222-I360 HydrophobicContact CB-CG1 3.91Å; I222-I360 HydrophobicContact CD1-CD1 4.41Å; I222-I360 HydrophobicContact CD1-CG1 3.72Å; I222-I360 HydrophobicContact CG1-CG1 4.39Å; I222-I360 HydrophobicContact CG2-CG1 4.17Å; I222-I360 HydrophobicContact CG2-CG2 4.28Å; I222-I360 WeakPolarHBondContact O-CA 3.39Å; I222-D361 PolarHBondContact O-N 2.98Å
223	T	98.3	Very high	97.2	Very high	49 Å²	49	20.4 Å²	20.4	30%	0.301	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-37.9	179.6	48.9	0	0	0	0	111.7	T221 D244 R246	T221-T223 PolarHBondContact O-N 2.87Å; T223-D244 PolarHBondContact N-O 2.83Å; T223-D244 VanDerWaalsContact OG1-CB 3.28Å; T223-D244 WeakPolarHBondContact OG1-CB 3.48Å; T223-D244 PolarHBondContact OG1-O 3.17Å; T223-R246 HydrophobicContact CG2-CB 3.91Å
224	S	98.4	Very high	96.9	Very high	33 Å²	33	27.4 Å²	27.4	23%	0.231	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	138.5	172	29.3	0	0	0	0	110.7	I222 D244 Y362	I222-S224 VanDerWaalsContact C-N 3.32Å; I222-S224 WeakPolarHBondContact CG2-O 3.25Å; S224-D244 PolarHBondContact O-N 3.15Å; S224-D244 WeakPolarHBondContact OG-CB 3.49Å; S224-D244 PolarHBondContact OG-OD2 3.18Å; S224-Y362 CarbonylContact C-O 3.54Å; S224-Y362 VanDerWaalsContact CA-O 3.31Å; S224-Y362 WeakPolarHBondContact CA-O 3.44Å
225	I	98.4	Very high	96.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.2	167.2	-174.6	168.8	0	0	0	110.1	I222 E241 T242 I243 V354 I360 Y362 M363 T364	I222-I225 HydrophobicContact CG2-CB 3.79Å; I222-I225 HydrophobicContact CG2-CG2 4.19Å; I225-E241 HydrophobicContact CD1-CB 4.37Å; I225-T242 WeakPolarHBondContact CA-O 3.45Å; I225-I243 HydrophobicContact CB-CG1 4.49Å; I225-I243 HydrophobicContact CD1-CD1 4.08Å; I225-I243 HydrophobicContact CD1-CG1 3.74Å; I225-I243 HydrophobicContact CG1-CG1 3.79Å; I225-V354 HydrophobicContact CD1-CG2 4.1Å; I225-I360 HydrophobicContact CG2-CD1 4.26Å; I225-I360 HydrophobicContact CG2-CG1 4.4Å; I225-I360 HydrophobicContact CG2-CG2 3.53Å; I225-Y362 PolarHBondContact N-O 3.42Å; I225-M363 HydrophobicContact CG2-CB 3.85Å; I225-M363 HydrophobicContact CG2-CG 3.88Å; I225-M363 WeakPolarHBondContact O-CA 3.41Å; I225-T364 PolarHBondContact O-N 2.88Å
226	T	98.6	Very high	96.5	Very high	38 Å²	38	31.2 Å²	31.2	23%	0.233	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108.5	169.2	-58.2	0	0	0	0	108.7	E241 T242 T364 K366	T226-E241 WeakPolarHBondContact O-CA 3.39Å; T226-T242 PolarHBondContact N-O 3.14Å; T226-T242 PolarHBondContact O-N 3.37Å; T226-T364 CarbonylContact C-O 3.51Å; T226-T364 WeakPolarHBondContact CA-O 3.14Å; T226-K366 HydrophobicContact CG2-CD 4.27Å
227	R	98.4	Very high	96.6	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	113	176.3	-178.2	175.6	178.9	96.8	-9.3	108.9	I229 V239 E241 L350 D352 T364 V365 K366	R227-I229 HydrophobicContact CG-CG1 4.29Å; R227-V239 HydrophobicContact CG-CG1 4.32Å; R227-E241 HydrophobicContact CB-CG 4.18Å; R227-E241 VanDerWaalsContact CD-OE1 3.3Å; R227-E241 WeakPolarHBondContact CD-OE1 3.49Å; R227-E241 HydrophobicContact CG-CG 3.99Å; R227-E241 IonicContact CZ-OE1 3.31Å; R227-E241 IonicContact NE-OE1 2.73Å; R227-E241 VanDerWaalsContact NH1-CD 3.33Å; R227-E241 IonicContact NH1-OE1 3.82Å; R227-E241 PolarHBondContact NH1-OE1 3.27Å; R227-E241 IonicContact NH1-OE2 3.08Å; R227-L350 WeakPolarHBondContact CD-O 3.4Å; R227-D352 IonicContact CZ-OD2 3.72Å; R227-D352 IonicContact NH1-OD2 3.97Å; R227-D352 IonicContact NH2-OD2 2.88Å; R227-D352 PolarHBondContact NH2-OD2 2.89Å; R227-D352 VanDerWaalsContact NH2-OD2 3.08Å; R227-T364 PolarHBondContact N-O 3.22Å; R227-V365 CarbonylContact O-C 3.6Å; R227-V365 WeakPolarHBondContact O-CA 3.37Å; R227-K366 PolarHBondContact O-N 2.86Å
228	T	98.4	Very high	96.7	Very high	29 Å²	29	29 Å²	29	18%	0.178	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.1	178.1	-55.5	0	0	0	0	109	V239 E240 K366 I368	T228-V239 WeakPolarHBondContact O-CA 3.27Å; T228-E240 PolarHBondContact N-O 2.61Å; T228-E240 PolarHBondContact O-N 2.78Å; T228-K366 CarbonylContact C-O 3.56Å; T228-K366 WeakPolarHBondContact CA-O 3.25Å; T228-K366 HydrophobicContact CG2-CB 4.43Å; T228-I368 HydrophobicContact CG2-CD1 3.59Å; T228-I368 HydrophobicContact CG2-CG1 4.19Å
229	I	98.4	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	109.3	179.2	-57.1	172.8	0	0	0	107	R227 V231 I237 A238 V239 L346 M348 K366 I367 I368 F421	R227-I229 HydrophobicContact CG-CG1 4.29Å; I229-V231 HydrophobicContact CG2-CG2 4.5Å; I229-I237 HydrophobicContact CG2-CG2 3.75Å; I229-A238 WeakPolarHBondContact CA-O 3.48Å; I229-V239 HydrophobicContact CG1-CG1 4.45Å; I229-V239 HydrophobicContact CG1-CG2 4.38Å; I229-L346 HydrophobicContact CG2-CD2 4.49Å; I229-M348 HydrophobicContact CD1-SD 4.38Å; I229-M348 HydrophobicContact CG2-CE 4.42Å; I229-M348 HydrophobicContact CG2-SD 3.66Å; I229-K366 PolarHBondContact N-O 2.86Å; I229-I367 CarbonylContact O-C 3.52Å; I229-I367 WeakPolarHBondContact O-CA 3.19Å; I229-I368 PolarHBondContact O-N 3.46Å; I229-F421 HydrophobicContact CD1-CE1 4.02Å; I229-F421 HydrophobicContact CD1-CZ 3.86Å
230	E	97.9	Very high	97	Very high	49 Å²	49	27.7 Å²	27.7	23%	0.229	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.4	176.9	-176.5	170.5	177.4	0	0	111.1	I237 A238 I368 R403	E230-I237 CarbonylContact O-C 3.58Å; E230-I237 WeakPolarHBondContact O-CA 3.27Å; E230-A238 HydrophobicContact CB-CB 4.46Å; E230-A238 PolarHBondContact N-O 3.02Å; E230-A238 PolarHBondContact O-N 3.49Å; E230-I368 HydrophobicContact CB-CB 4.26Å; E230-I368 HydrophobicContact CB-CD1 4.4Å; E230-I368 HydrophobicContact CG-CB 4.21Å; E230-I368 HydrophobicContact CG-CG2 4.23Å; E230-R403 IonicContact OE1-CZ 3.59Å; E230-R403 IonicContact OE1-NH1 3.69Å; E230-R403 PolarHBondContact OE1-NH1 2.93Å
231	V	97.1	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119	-177.1	-175.8	0	0	0	0	110.3	I229 I237 L337 L346 I368 L369	I229-V231 HydrophobicContact CG2-CG2 4.5Å; V231-I237 HydrophobicContact CG1-CG1 4.41Å; V231-L337 HydrophobicContact CG1-CD1 4.5Å; V231-L337 HydrophobicContact CG1-CD2 4.3Å; V231-L346 HydrophobicContact CG2-CD1 4.25Å; V231-L346 HydrophobicContact CG2-CD2 3.76Å; V231-I368 PolarHBondContact N-O 2.97Å; V231-L369 HydrophobicContact CG2-CD2 4.42Å
232	S	94.9	Very high	97.1	Very high	24 Å²	24	29.2 Å²	29.2	17%	0.168	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.2	173.6	-176.8	0	0	0	0	111.8	W234 G235 N236	S232-W234 PolarHBondContact O-N 3.21Å; S232-W234 PolarHBondContact OG-N 3.45Å; S232-G235 PolarHBondContact O-N 3.19Å; S232-N236 WeakPolarHBondContact CA-O 3.48Å; S232-N236 VanDerWaalsContact CB-O 3.3Å; S232-N236 WeakPolarHBondContact CB-O 3.37Å; S232-N236 PolarHBondContact N-O 2.92Å; S232-N236 PolarHBondContact O-N 3.34Å; S232-N236 VanDerWaalsContact O-O 3.09Å
233	H	93.8	Very high	97.1	Very high	30 Å²	30	29.3 Å²	29.3	14%	0.139	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-5.3	177.3	-69.8	43.8	0	0	0	112.7	G235 Y344 P370 Y425 F427 M432	H233-G235 PolarHBondContact O-N 2.86Å; H233-Y344 AromaticContact CD2-CE1 3.57Å; H233-Y344 AromaticContact CD2-CZ 3.71Å; H233-Y344 AromaticContact NE2-CD1 3.62Å; H233-Y344 AromaticContact NE2-CE1 3.6Å; H233-Y344 AromaticContact NE2-CG 3.91Å; H233-Y344 AromaticContact NE2-CZ 3.89Å; H233-P370 WeakPolarHBondContact CE1-CG 3.34Å; H233-Y425 AromaticContact CE1-CE2 3.77Å; H233-Y425 AromaticContact CE1-CZ 3.69Å; H233-Y425 PolarHBondContact CE1-OH 2.86Å; H233-Y425 AromaticContact NE2-CE2 3.59Å; H233-Y425 AromaticContact NE2-CZ 3.73Å; H233-Y425 PolarHBondContact NE2-OH 3.18Å; H233-F427 HydrophobicContact CB-CE1 4.49Å; H233-F427 AromaticContact CD2-CD1 3.53Å; H233-F427 AromaticContact CD2-CE1 3.81Å; H233-F427 AromaticContact NE2-CD1 3.93Å; H233-M432 HydrophobicContact CB-CE 3.82Å; H233-M432 HydrophobicContact CB-SD 3.76Å; H233-M432 WeakPolarHBondContact O-CE 3.44Å
234	W	93	Very high	97.1	Very high	148 Å²	148	29.6 Å²	29.6	56%	0.561	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-10	169.7	-65.4	101.3	0	0	0	113.4	S232 M432 E435 P436	S232-W234 PolarHBondContact O-N 3.21Å; S232-W234 PolarHBondContact OG-N 3.45Å; W234-M432 HydrophobicContact CD2-CE 3.77Å; W234-M432 HydrophobicContact CE3-CE 4.17Å; W234-M432 HydrophobicContact CG-CE 4.05Å; W234-M432 HydrophobicContact CZ2-CB 4.49Å; W234-M432 HydrophobicContact CZ2-CE 4.32Å; W234-E435 PolarHBondContact NE1-OE2 3.05Å; W234-P436 HydrophobicContact CH2-CG 3.95Å; W234-P436 HydrophobicContact CZ2-CG 4.14Å
235	G	90.6	Very high	97.1	Very high	37 Å²	37	28 Å²	28	38%	0.381	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	132.4	4.6	167.5	0	0	0	0	0	116.7	S232 H233 S333	S232-G235 PolarHBondContact O-N 3.19Å; H233-G235 PolarHBondContact O-N 2.86Å; G235-S333 WeakPolarHBondContact CA-OG 3.23Å; G235-S333 PolarHBondContact O-N 2.77Å; G235-S333 VanDerWaalsContact O-N 3.14Å; G235-S333 PolarHBondContact O-OG 2.92Å
236	N	94.8	Very high	97.1	Very high	57 Å²	57	33.3 Å²	33.3	31%	0.305	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.1	-172.5	155.4	-28.2	0	0	0	109.7	S232 A238 N330	S232-N236 WeakPolarHBondContact CA-O 3.48Å; S232-N236 VanDerWaalsContact CB-O 3.3Å; S232-N236 WeakPolarHBondContact CB-O 3.37Å; S232-N236 PolarHBondContact N-O 2.92Å; S232-N236 PolarHBondContact O-N 3.34Å; S232-N236 VanDerWaalsContact O-O 3.09Å; N236-A238 PolarHBondContact OD1-N 3.01Å; N236-N330 PolarHBondContact ND2-OD1 2.86Å
237	I	97.8	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.4	157.9	-59.4	164.9	0	0	0	108	I229 E230 V231 L331 L337 L346 M348	I229-I237 HydrophobicContact CG2-CG2 3.75Å; E230-I237 CarbonylContact O-C 3.58Å; E230-I237 WeakPolarHBondContact O-CA 3.27Å; V231-I237 HydrophobicContact CG1-CG1 4.41Å; I237-L331 PolarHBondContact N-O 3.13Å; I237-L331 PolarHBondContact O-N 2.84Å; I237-L337 HydrophobicContact CD1-CB 4.5Å; I237-L346 HydrophobicContact CD1-CD1 3.71Å; I237-M348 HydrophobicContact CG2-CE 4.16Å; I237-M348 HydrophobicContact CG2-SD 3.9Å
238	A	98.1	Very high	97	Very high	28 Å²	28	33.5 Å²	33.5	23%	0.231	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.1	179.6	0	0	0	0	0	109.1	I229 E230 N236	I229-A238 WeakPolarHBondContact CA-O 3.48Å; E230-A238 HydrophobicContact CB-CB 4.46Å; E230-A238 PolarHBondContact N-O 3.02Å; E230-A238 PolarHBondContact O-N 3.49Å; N236-A238 PolarHBondContact OD1-N 3.01Å
239	V	98.4	Very high	96.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126	175.3	-175.3	0	0	0	0	108.2	R227 T228 I229 E241 G328 Y329 L331 M348	R227-V239 HydrophobicContact CG-CG1 4.32Å; T228-V239 WeakPolarHBondContact O-CA 3.27Å; I229-V239 HydrophobicContact CG1-CG1 4.45Å; I229-V239 HydrophobicContact CG1-CG2 4.38Å; V239-E241 HydrophobicContact CG1-CG 4.45Å; V239-G328 CarbonylContact O-C 3.53Å; V239-G328 WeakPolarHBondContact O-CA 3.43Å; V239-Y329 HydrophobicContact CB-CD1 4.42Å; V239-Y329 HydrophobicContact CB-CD2 4.4Å; V239-Y329 HydrophobicContact CB-CE1 3.96Å; V239-Y329 HydrophobicContact CB-CE2 3.97Å; V239-Y329 HydrophobicContact CG1-CE1 3.91Å; V239-Y329 HydrophobicContact CG1-CE2 4.49Å; V239-Y329 HydrophobicContact CG2-CE2 4.16Å; V239-Y329 PolarHBondContact N-O 3.42Å; V239-Y329 PolarHBondContact O-N 3.46Å; V239-L331 HydrophobicContact CG2-CD1 4.16Å; V239-M348 HydrophobicContact CG2-CE 3.83Å
240	E	98.4	Very high	96.8	Very high	52 Å²	52	32.4 Å²	32.4	24%	0.243	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.4	172.8	-171	-176	68.7	0	0	109.1	T228 Y287 R289 I326	T228-E240 PolarHBondContact N-O 2.61Å; T228-E240 PolarHBondContact O-N 2.78Å; E240-Y287 WeakPolarHBondContact CG-OH 3.48Å; E240-Y287 PolarHBondContact OE2-OH 2.84Å; E240-Y287 VanDerWaalsContact OE2-OH 3.05Å; E240-R289 IonicContact OE2-NH2 3.5Å; E240-I326 HydrophobicContact CG-CG2 3.41Å; E240-I326 VanDerWaalsContact CG-CG2 3.41Å; E240-I326 WeakPolarHBondContact OE2-CG2 3.34Å
241	E	98.4	Very high	96.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121	176.4	-60.1	-167.3	131.4	0	0	110.2	I225 T226 R227 V239 I243 I326 I327	I225-E241 HydrophobicContact CD1-CB 4.37Å; T226-E241 WeakPolarHBondContact O-CA 3.39Å; R227-E241 HydrophobicContact CB-CG 4.18Å; R227-E241 VanDerWaalsContact CD-OE1 3.3Å; R227-E241 WeakPolarHBondContact CD-OE1 3.49Å; R227-E241 HydrophobicContact CG-CG 3.99Å; R227-E241 IonicContact CZ-OE1 3.31Å; R227-E241 IonicContact NE-OE1 2.73Å; R227-E241 VanDerWaalsContact NH1-CD 3.33Å; R227-E241 IonicContact NH1-OE1 3.82Å; R227-E241 PolarHBondContact NH1-OE1 3.27Å; R227-E241 IonicContact NH1-OE2 3.08Å; V239-E241 HydrophobicContact CG1-CG 4.45Å; E241-I243 HydrophobicContact CB-CD1 4.11Å; E241-I243 HydrophobicContact CB-CG1 4.19Å; E241-I326 VanDerWaalsContact O-CA 3.3Å; E241-I326 WeakPolarHBondContact O-CA 3.21Å; E241-I327 HydrophobicContact CB-CG2 4.01Å; E241-I327 PolarHBondContact N-O 3.13Å; E241-I327 PolarHBondContact O-N 2.92Å
242	T	98.5	Very high	96.8	Very high	34 Å²	34	34.9 Å²	34.9	21%	0.209	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.3	170.7	-55.8	0	0	0	0	108.4	I225 T226 H324 I326	I225-T242 WeakPolarHBondContact CA-O 3.45Å; T226-T242 PolarHBondContact N-O 3.14Å; T226-T242 PolarHBondContact O-N 3.37Å; T242-H324 WeakPolarHBondContact CG2-NE2 3.27Å; T242-I326 HydrophobicContact CG2-CG1 4.19Å
243	I	98.6	Very high	96.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.3	-167.5	-62.2	166.9	0	0	0	110.3	I222 I225 E241 L245 H324 Y325 I327 V354	I222-I243 HydrophobicContact CG1-CG2 4.17Å; I222-I243 HydrophobicContact CG2-CG2 4.09Å; I225-I243 HydrophobicContact CB-CG1 4.49Å; I225-I243 HydrophobicContact CD1-CD1 4.08Å; I225-I243 HydrophobicContact CD1-CG1 3.74Å; I225-I243 HydrophobicContact CG1-CG1 3.79Å; E241-I243 HydrophobicContact CB-CD1 4.11Å; E241-I243 HydrophobicContact CB-CG1 4.19Å; I243-L245 HydrophobicContact CG2-CB 4.34Å; I243-H324 WeakPolarHBondContact O-CA 3.29Å; I243-Y325 HydrophobicContact CB-CD1 4.39Å; I243-Y325 HydrophobicContact CB-CD2 4.44Å; I243-Y325 HydrophobicContact CB-CE1 3.98Å; I243-Y325 HydrophobicContact CB-CE2 4.07Å; I243-Y325 HydrophobicContact CD1-CE2 3.59Å; I243-Y325 WeakPolarHBondContact CD1-OH 3.34Å; I243-Y325 HydrophobicContact CG1-CE2 4.33Å; I243-Y325 HydrophobicContact CG2-CE1 3.75Å; I243-Y325 PolarHBondContact N-O 3Å; I243-Y325 PolarHBondContact O-N 2.86Å; I243-I327 HydrophobicContact CD1-CG2 4.08Å; I243-V354 HydrophobicContact CD1-CG1 3.95Å; I243-V354 HydrophobicContact CD1-CG2 4.26Å
244	D	98.5	Very high	97	Very high	55 Å²	55	40.5 Å²	40.5	29%	0.294	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	106.4	167.3	-67.7	-57.1	0	0	0	109.8	I222 T223 S224 H324	I222-D244 CarbonylContact C-O 3.54Å; I222-D244 WeakPolarHBondContact CA-O 3.3Å; T223-D244 PolarHBondContact N-O 2.83Å; T223-D244 VanDerWaalsContact OG1-CB 3.28Å; T223-D244 WeakPolarHBondContact OG1-CB 3.48Å; T223-D244 PolarHBondContact OG1-O 3.17Å; S224-D244 PolarHBondContact O-N 3.15Å; S224-D244 WeakPolarHBondContact OG-CB 3.49Å; S224-D244 PolarHBondContact OG-OD2 3.18Å; D244-H324 IonicContact OD1-CD2 3.29Å; D244-H324 PolarHBondContact OD1-CD2 3.28Å; D244-H324 IonicContact OD1-CG 2.73Å
245	L	97.9	Very high	97.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.3	-175.8	-172.2	74	0	0	0	110.6	L220 I222 I243 F275 L317 K322 T323 Y325 Y355	L220-L245 HydrophobicContact CB-CD1 4.14Å; L220-L245 HydrophobicContact CD1-CD1 4.48Å; L220-L245 HydrophobicContact CD1-CD2 4.1Å; L220-L245 HydrophobicContact CD2-CD1 4.45Å; L220-L245 HydrophobicContact CD2-CD2 4.01Å; L220-L245 HydrophobicContact CD2-CG 4.14Å; I222-L245 HydrophobicContact CG1-CD1 3.64Å; I243-L245 HydrophobicContact CG2-CB 4.34Å; L245-F275 HydrophobicContact CD2-CD1 4.39Å; L245-F275 HydrophobicContact CD2-CE1 3.54Å; L245-F275 HydrophobicContact CD2-CZ 3.71Å; L245-L317 HydrophobicContact CD2-CD1 3.99Å; L245-K322 CarbonylContact O-C 3.52Å; L245-K322 VanDerWaalsContact O-CA 3.24Å; L245-K322 WeakPolarHBondContact O-CA 3.46Å; L245-T323 HydrophobicContact CB-CG2 3.83Å; L245-T323 HydrophobicContact CD2-CG2 4.07Å; L245-T323 HydrophobicContact CG-CG2 4.44Å; L245-T323 PolarHBondContact N-O 3.32Å; L245-T323 PolarHBondContact O-N 2.84Å; L245-Y325 HydrophobicContact CB-CE1 4.3Å; L245-Y325 HydrophobicContact CD2-CE1 4.37Å; L245-Y355 HydrophobicContact CD1-CE1 3.99Å
246	R	98	Very high	97.3	Very high	111 Å²	111	40.6 Å²	40.6	42%	0.419	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.9	178.3	-176.8	179.6	178	-171.5	-1.7	111.1	T221 T223 T248	T221-R246 PolarHBondContact N-O 3.26Å; T221-R246 PolarHBondContact O-N 3.01Å; T223-R246 HydrophobicContact CG2-CB 3.91Å; R246-T248 HydrophobicContact CG-CG2 4.34Å; R246-T248 PolarHBondContact O-N 2.66Å
247	H	97.9	Very high	97.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	111.4	166.9	-167	-55.4	0	0	0	110.4	F219 G249 S270 L317 F318 G319 G320 W321	F219-H247 CarbonylContact O-C 3.51Å; F219-H247 VanDerWaalsContact O-CA 3.25Å; F219-H247 WeakPolarHBondContact O-CA 3.44Å; F219-H247 PolarHBondContact O-ND1 3.4Å; H247-G249 PolarHBondContact ND1-N 2.81Å; H247-G249 VanDerWaalsContact ND1-N 3.2Å; H247-S270 PolarHBondContact NE2-O 3.21Å; H247-L317 HydrophobicContact CB-CB 4.19Å; H247-L317 PolarHBondContact CD2-O 2.65Å; H247-L317 VanDerWaalsContact CD2-O 3.25Å; H247-F318 WeakPolarHBondContact CB-O 3.24Å; H247-G319 WeakPolarHBondContact ND1-CA 3.36Å; H247-G320 PolarHBondContact O-N 2.82Å; H247-W321 PolarHBondContact N-O 2.9Å
248	T	97.1	Very high	97.2	Very high	43 Å²	43	45.8 Å²	45.8	26%	0.264	25%	0.246	S	C	.	.			trans	-97.8	-0.5	-173.3	48.8	0	0	0	0	114.6	F219 T221 R246	F219-T248 PolarHBondContact O-N 3.12Å; F219-T248 PolarHBondContact O-OG1 3.05Å; T221-T248 HydrophobicContact CG2-CG2 4.37Å; T221-T248 VanDerWaalsContact OG1-CG2 3.25Å; T221-T248 WeakPolarHBondContact OG1-CG2 3.42Å; T221-T248 PolarHBondContact OG1-OG1 2.84Å; R246-T248 HydrophobicContact CG-CG2 4.34Å; R246-T248 PolarHBondContact O-N 2.66Å
249	G	96.6	Very high	97	Very high	4 Å²	4	51 Å²	51	4%	0.041	26%	0.26	C	S	.	.	S	Bend	trans	-65.8	-168.8	169.3	0	0	0	0	0	114.7	F219 H247 I251	F219-G249 VanDerWaalsContact CB-N 3.33Å; H247-G249 PolarHBondContact ND1-N 2.81Å; H247-G249 VanDerWaalsContact ND1-N 3.2Å; G249-I251 PolarHBondContact O-N 2.96Å
250	A	97.4	Very high	96.8	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.017	27%	0.273	C	S	.	.	S	Bend	trans	-58.5	129.2	-178.2	0	0	0	0	0	111.7	P136 I141 Q147 G319	P136-A250 HydrophobicContact CB-CB 3.83Å; I141-A250 HydrophobicContact CB-CB 4.3Å; I141-A250 HydrophobicContact CD1-CB 3.77Å; I141-A250 HydrophobicContact CG1-CB 3.65Å; I141-A250 HydrophobicContact CG2-CB 3.86Å; Q147-A250 HydrophobicContact CG-CB 4.17Å; A250-G319 WeakPolarHBondContact O-CA 3.43Å
251	I	97.8	Very high	96.6	Very high	75 Å²	75	52 Å²	52	39%	0.385	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	140	-172.3	-61.4	170.6	0	0	0	110.6	T139 Q140 I141 G249 K253 G319	T139-I251 PolarHBondContact O-N 3.49Å; Q140-I251 CarbonylContact C-O 3.56Å; Q140-I251 WeakPolarHBondContact CA-O 3.39Å; Q140-I251 HydrophobicContact CG-CB 4.31Å; I141-I251 PolarHBondContact N-O 2.88Å; G249-I251 PolarHBondContact O-N 2.96Å; I251-K253 PolarHBondContact O-N 3.15Å; I251-G319 WeakPolarHBondContact CA-O 3.37Å
252	L	97.1	Very high	96.3	Very high	27 Å²	27	58.1 Å²	58.1	14%	0.141	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	121.6	175.7	-178.2	64	0	0	0	111.2	I141 Q143 F256 F318 G319 W321	I141-L252 CarbonylContact O-C 3.56Å; I141-L252 WeakPolarHBondContact O-CA 3.48Å; Q143-L252 HydrophobicContact CB-CD1 4.15Å; L252-F256 HydrophobicContact CD2-CB 4.14Å; L252-F318 HydrophobicContact CB-CB 4.04Å; L252-F318 HydrophobicContact CD1-CD1 3.9Å; L252-F318 HydrophobicContact CD1-CE1 4.37Å; L252-F318 HydrophobicContact CD2-CB 4.16Å; L252-F318 HydrophobicContact CD2-CD1 4.37Å; L252-F318 HydrophobicContact CD2-CG 4.18Å; L252-G319 PolarHBondContact N-O 2.84Å; L252-G319 VanDerWaalsContact N-O 3.09Å; L252-W321 HydrophobicContact CD2-CZ2 3.92Å
253	K	96.6	Very high	96	Very high	116 Å²	116	64 Å²	64	50%	0.504	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-99.6	127.4	173.9	-170.9	-179.5	175.1	-174.8	0	110.2	Q140 I141 T142 I251	Q140-K253 HydrophobicContact CB-CB 4.05Å; Q140-K253 HydrophobicContact CB-CD 4.45Å; I141-K253 PolarHBondContact O-N 3.24Å; T142-K253 HydrophobicContact CG2-CB 4.43Å; I251-K253 PolarHBondContact O-N 3.15Å
254	G	95.3	Very high	95.5	Very high	56 Å²	56	68 Å²	68	58%	0.577	33%	0.332	S	S	*	.	S	Bend	trans	83.6	-167.7	178	0	0	0	0	0	113.2
255	P	94.6	Very high	94.6	Very high	117 Å²	117	70.5 Å²	70.5	76%	0.76	35%	0.353	S	S	*	.			trans	-76.4	148.7	-174.3	31.2	-34.6	0	0	0	112.1
256	F	96.1	Very high	93.9	Very high	69 Å²	69	75.1 Å²	75.1	30%	0.303	38%	0.378	S	S	.	.			trans	-84.1	123	164.1	171.6	-108.2	0	0	0	110	L252 R258 Y261 P316 F318 W321	L252-F256 HydrophobicContact CD2-CB 4.14Å; F256-R258 HydrophobicContact CE1-CB 3.98Å; F256-R258 HydrophobicContact CZ-CB 4.27Å; F256-Y261 HydrophobicContact CE2-CD2 4.38Å; F256-Y261 HydrophobicContact CE2-CG 4.09Å; F256-Y261 HydrophobicContact CZ-CD1 4.48Å; F256-Y261 HydrophobicContact CZ-CG 4.39Å; F256-P316 HydrophobicContact CZ-CG 4.5Å; F256-F318 HydrophobicContact CD2-CD2 4.35Å; F256-F318 AromaticContact CD2-CE2 3.83Å; F256-F318 HydrophobicContact CD2-CE2 3.83Å; F256-F318 HydrophobicContact CD2-CZ 4.27Å; F256-F318 HydrophobicContact CE2-CD2 4.45Å; F256-F318 AromaticContact CE2-CE2 3.64Å; F256-F318 HydrophobicContact CE2-CE2 3.64Å; F256-F318 HydrophobicContact CE2-CZ 4.17Å; F256-W321 HydrophobicContact CB-CH2 4.25Å; F256-W321 HydrophobicContact CB-CZ2 4.24Å; F256-W321 HydrophobicContact CD1-CH2 4.28Å; F256-W321 HydrophobicContact CD2-CH2 4.33Å; F256-W321 HydrophobicContact CG-CH2 4.02Å; F256-W321 HydrophobicContact CG-CZ2 4.49Å
257	S	95.4	Very high	93.5	Very high	36 Å²	36	70 Å²	70	25%	0.252	36%	0.359	S	S	.	.			trans	-108.5	106.2	174.3	175.1	0	0	0	0	109.8	Q143 Y259 D260 Y261	Q143-S257 PolarHBondContact NE2-O 2.88Å; Q143-S257 PolarHBondContact OE1-O 3.48Å; S257-Y259 PolarHBondContact O-N 3.22Å; S257-D260 WeakPolarHBondContact CB-OD2 3.48Å; S257-D260 PolarHBondContact O-N 2.98Å; S257-D260 VanDerWaalsContact OG-CG 3.29Å; S257-D260 PolarHBondContact OG-N 2.89Å; S257-D260 PolarHBondContact OG-OD2 2.88Å; S257-Y261 WeakPolarHBondContact O-CB 3.45Å; S257-Y261 PolarHBondContact O-N 2.84Å
258	R	94.7	Very high	93	Very high	130 Å²	130	70.1 Å²	70.1	49%	0.491	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-34.9	174.7	-179.1	62.4	-176.4	-140.9	5.3	112	F256 Y261 Q262	F256-R258 HydrophobicContact CE1-CB 3.98Å; F256-R258 HydrophobicContact CZ-CB 4.27Å; R258-Y261 PolarHBondContact O-N 2.92Å; R258-Q262 WeakPolarHBondContact O-CG 3.46Å; R258-Q262 PolarHBondContact O-N 3.18Å; R258-Q262 VanDerWaalsContact O-N 3.1Å
259	Y	94.6	Very high	92.8	Very high	138 Å²	138	70.7 Å²	70.7	54%	0.541	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-49.6	178.5	177.8	-100.4	0	0	0	111.3	S257 Y261 Q262 R263	S257-Y259 PolarHBondContact O-N 3.22Å; Y259-Y261 VanDerWaalsContact C-N 3.34Å; Y259-Y261 PolarHBondContact O-N 3.26Å; Y259-Q262 PolarHBondContact O-N 2.85Å; Y259-R263 WeakPolarHBondContact O-CB 3.25Å; Y259-R263 PolarHBondContact O-N 2.84Å; Y259-R263 WeakPolarHBondContact OH-CD 3.07Å; Y259-R263 VanDerWaalsContact OH-CZ 3.24Å; Y259-R263 PolarHBondContact OH-NE 2.99Å; Y259-R263 PolarHBondContact OH-NH1 3.43Å
260	D	93.4	Very high	92.6	Very high	51 Å²	51	70.9 Å²	70.9	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-67.4	-38.4	179.3	-61.8	-46.6	0	0	0	111.2	S257 Q262 R263 Q264	S257-D260 WeakPolarHBondContact CB-OD2 3.48Å; S257-D260 PolarHBondContact O-N 2.98Å; S257-D260 VanDerWaalsContact OG-CG 3.29Å; S257-D260 PolarHBondContact OG-N 2.89Å; S257-D260 PolarHBondContact OG-OD2 2.88Å; D260-Q262 VanDerWaalsContact C-N 3.26Å; D260-Q262 PolarHBondContact O-N 2.84Å; D260-R263 PolarHBondContact O-N 2.69Å; D260-Q264 WeakPolarHBondContact O-CB 3.47Å; D260-Q264 PolarHBondContact O-N 3.01Å
261	Y	94.1	Very high	92.5	Very high	24 Å²	24	71.4 Å²	71.4	9%	0.094	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-33.9	176.7	-170.5	-111.6	0	0	0	113.6	F256 S257 R258 Y259 S271 K273 P316 F318	F256-Y261 HydrophobicContact CE2-CD2 4.38Å; F256-Y261 HydrophobicContact CE2-CG 4.09Å; F256-Y261 HydrophobicContact CZ-CD1 4.48Å; F256-Y261 HydrophobicContact CZ-CG 4.39Å; S257-Y261 WeakPolarHBondContact O-CB 3.45Å; S257-Y261 PolarHBondContact O-N 2.84Å; R258-Y261 PolarHBondContact O-N 2.92Å; Y259-Y261 VanDerWaalsContact C-N 3.34Å; Y259-Y261 PolarHBondContact O-N 3.26Å; Y261-S271 WeakPolarHBondContact CE2-OG 3.49Å; Y261-S271 PolarHBondContact OH-OG 3.37Å; Y261-K273 VanDerWaalsContact CZ-CE 3.5Å; Y261-K273 WeakPolarHBondContact OH-CE 3.3Å; Y261-K273 WeakPolarHBondContact OH-CG 3.36Å; Y261-P316 HydrophobicContact CE1-CB 4.26Å; Y261-P316 HydrophobicContact CE1-CG 3.92Å; Y261-P316 WeakPolarHBondContact OH-CB 3.18Å; Y261-F318 HydrophobicContact CD2-CE2 4.26Å; Y261-F318 AromaticContact CD2-CZ 3.87Å; Y261-F318 HydrophobicContact CD2-CZ 3.87Å; Y261-F318 HydrophobicContact CE2-CE2 4.02Å; Y261-F318 AromaticContact CE2-CZ 3.79Å; Y261-F318 HydrophobicContact CE2-CZ 3.79Å
262	Q	92.1	Very high	92.4	Very high	130 Å²	130	68 Å²	68	61%	0.607	35%	0.349	S	S	*	.	H	α-helix	trans	-88.8	-32.4	180	-72.1	-178.1	-59.8	0	0	113.1	R258 Y259 D260	R258-Q262 WeakPolarHBondContact O-CG 3.46Å; R258-Q262 PolarHBondContact O-N 3.18Å; R258-Q262 VanDerWaalsContact O-N 3.1Å; Y259-Q262 PolarHBondContact O-N 2.85Å; D260-Q262 VanDerWaalsContact C-N 3.26Å; D260-Q262 PolarHBondContact O-N 2.84Å
263	R	91.9	Very high	92.3	Very high	157 Å²	157	72.6 Å²	72.6	59%	0.592	37%	0.367	S	S	*	.	H	α-helix	trans	-87.8	-30.3	-174.3	-166	176.3	68	151.8	2.6	113	Y259 D260	Y259-R263 WeakPolarHBondContact O-CB 3.25Å; Y259-R263 PolarHBondContact O-N 2.84Å; Y259-R263 WeakPolarHBondContact OH-CD 3.07Å; Y259-R263 VanDerWaalsContact OH-CZ 3.24Å; Y259-R263 PolarHBondContact OH-NE 2.99Å; Y259-R263 PolarHBondContact OH-NH1 3.43Å; D260-R263 PolarHBondContact O-N 2.69Å
264	Q	87.4	Confident	92.3	Very high	86 Å²	86	69 Å²	69	40%	0.402	36%	0.357	S	S	.	.			trans	-106.5	119	-179.6	-64.8	176.9	-12.5	0	0	109.6	D260 D266 S267	D260-Q264 WeakPolarHBondContact O-CB 3.47Å; D260-Q264 PolarHBondContact O-N 3.01Å; Q264-D266 PolarHBondContact O-N 3.08Å; Q264-S267 WeakPolarHBondContact O-CB 3.39Å; Q264-S267 PolarHBondContact O-N 3.04Å
265	S	80.8	Confident	92.4	Very high	107 Å²	107	67.2 Å²	67.2	75%	0.748	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.6	176.3	52.3	0	0	0	0	112.8	S267	S265-S267 VanDerWaalsContact C-N 3.29Å; S265-S267 PolarHBondContact O-N 2.93Å
266	D	83.6	Confident	92.5	Very high	98 Å²	98	66.4 Å²	66.4	52%	0.524	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	0.7	-174.2	-65.7	13.8	0	0	0	112.2	Q264 I269	Q264-D266 PolarHBondContact O-N 3.08Å; D266-I269 HydrophobicContact CB-CD1 4.19Å; D266-I269 WeakPolarHBondContact O-CD1 3.42Å; D266-I269 VanDerWaalsContact O-CG1 3.28Å; D266-I269 WeakPolarHBondContact O-CG1 3.06Å
267	S	88.5	Confident	92.6	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.021	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	123.8	175.6	-167.2	0	0	0	0	110.1	Q143 Q264 S265	Q143-S267 WeakPolarHBondContact CG-OG 3.42Å; Q143-S267 PolarHBondContact NE2-OG 2.8Å; Q264-S267 WeakPolarHBondContact O-CB 3.39Å; Q264-S267 PolarHBondContact O-N 3.04Å; S265-S267 VanDerWaalsContact C-N 3.29Å; S265-S267 PolarHBondContact O-N 2.93Å
268	G	87.8	Confident	92.7	Very high	4 Å²	4	63.3 Å²	63.3	4%	0.041	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	37.2	-179.2	0	0	0	0	0	114.5	Q143 S270 S271	Q143-G268 PolarHBondContact O-N 2.88Å; G268-S270 PolarHBondContact O-N 2.95Å; G268-S271 WeakPolarHBondContact O-CB 3.24Å; G268-S271 PolarHBondContact O-N 3.07Å; G268-S271 PolarHBondContact O-OG 3.24Å
269	I	92.4	Very high	92.8	Very high	55 Å²	55	57.3 Å²	57.3	28%	0.282	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-40.5	176.5	-62	163.5	0	0	0	111.3	R146 N216 D266 S271	R146-I269 HydrophobicContact CG-CD1 4.07Å; N216-I269 HydrophobicContact CB-CG2 3.67Å; D266-I269 HydrophobicContact CB-CD1 4.19Å; D266-I269 WeakPolarHBondContact O-CD1 3.42Å; D266-I269 VanDerWaalsContact O-CG1 3.28Å; D266-I269 WeakPolarHBondContact O-CG1 3.06Å; I269-S271 VanDerWaalsContact C-N 3.27Å; I269-S271 PolarHBondContact O-N 2.74Å
270	S	93.3	Very high	92.9	Very high	7 Å²	7	51.5 Å²	51.5	5%	0.049	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	1.8	178.4	55.3	0	0	0	0	113.9	I141 H247 G268	I141-S270 WeakPolarHBondContact CD1-OG 3.34Å; H247-S270 PolarHBondContact NE2-O 3.21Å; G268-S270 PolarHBondContact O-N 2.95Å
271	S	95.3	Very high	92.9	Very high	14 Å²	14	51.4 Å²	51.4	10%	0.098	27%	0.265	C	S	.	.	S	Bend	trans	-88.5	153.1	-180	74.4	0	0	0	0	112.1	Y261 G268 I269 L317	Y261-S271 WeakPolarHBondContact CE2-OG 3.49Å; Y261-S271 PolarHBondContact OH-OG 3.37Å; G268-S271 WeakPolarHBondContact O-CB 3.24Å; G268-S271 PolarHBondContact O-N 3.07Å; G268-S271 PolarHBondContact O-OG 3.24Å; I269-S271 VanDerWaalsContact C-N 3.27Å; I269-S271 PolarHBondContact O-N 2.74Å; S271-L317 WeakPolarHBondContact CA-O 3.33Å
272	V	96.1	Very high	93	Very high	3 Å²	3	51 Å²	51	2%	0.018	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-102.4	120.7	178.7	-176.2	0	0	0	0	110.6	P218 L220 F275 P316 L317	P218-V272 HydrophobicContact CB-CG2 3.69Å; P218-V272 HydrophobicContact CG-CG2 4.39Å; L220-V272 HydrophobicContact CD1-CG1 4.13Å; L220-V272 HydrophobicContact CD2-CB 4.33Å; L220-V272 HydrophobicContact CD2-CG1 4.45Å; L220-V272 HydrophobicContact CD2-CG2 3.94Å; L220-V272 HydrophobicContact CG-CG2 4.07Å; V272-F275 HydrophobicContact CG1-CD1 4.25Å; V272-P316 CarbonylContact O-C 3.58Å; V272-P316 VanDerWaalsContact O-CA 3.28Å; V272-P316 WeakPolarHBondContact O-CA 3.4Å; V272-L317 HydrophobicContact CB-CB 4.31Å; V272-L317 PolarHBondContact N-O 3.42Å; V272-L317 PolarHBondContact O-N 2.8Å
273	K	94.9	Very high	93.2	Very high	123 Å²	123	45.5 Å²	45.5	54%	0.535	24%	0.242	S	C	.	.			trans	-94	-43.9	179.1	-69.8	171.8	-177.4	170.5	0	112.3	Y261	Y261-K273 VanDerWaalsContact CZ-CE 3.5Å; Y261-K273 WeakPolarHBondContact OH-CE 3.3Å; Y261-K273 WeakPolarHBondContact OH-CG 3.36Å
274	S	96.5	Very high	93.4	Very high	42 Å²	42	43.7 Å²	43.7	29%	0.294	24%	0.24	S	C	.	.			trans	-152.8	163.7	178.4	53	0	0	0	0	110.1	E310 V311	S274-E310 VanDerWaalsContact CB-OE1 3.25Å; S274-E310 WeakPolarHBondContact CB-OE1 3.4Å; S274-E310 PolarHBondContact OG-OE1 3.29Å; S274-V311 VanDerWaalsContact CA-O 3.22Å; S274-V311 WeakPolarHBondContact CA-O 3.35Å; S274-V311 WeakPolarHBondContact CB-O 3.41Å
275	F	96.7	Very high	93.8	Very high	17 Å²	17	44.9 Å²	44.9	8%	0.075	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161.7	167.7	49.6	-91.1	0	0	0	108.3	L220 L245 V272 V311 P313 Y325	L220-F275 HydrophobicContact CD1-CD1 3.97Å; L220-F275 HydrophobicContact CD1-CG 4.4Å; L245-F275 HydrophobicContact CD2-CD1 4.39Å; L245-F275 HydrophobicContact CD2-CE1 3.54Å; L245-F275 HydrophobicContact CD2-CZ 3.71Å; V272-F275 HydrophobicContact CG1-CD1 4.25Å; F275-V311 HydrophobicContact CD2-CB 4.19Å; F275-V311 HydrophobicContact CE2-CB 3.78Å; F275-V311 HydrophobicContact CE2-CG1 3.94Å; F275-V311 HydrophobicContact CE2-CG2 4.34Å; F275-V311 HydrophobicContact CZ-CB 4.11Å; F275-V311 HydrophobicContact CZ-CG1 3.82Å; F275-V311 PolarHBondContact N-O 2.91Å; F275-V311 VanDerWaalsContact N-O 3.15Å; F275-V311 PolarHBondContact O-N 3.31Å; F275-P313 HydrophobicContact CE1-CG 4Å; F275-Y325 WeakPolarHBondContact CE2-OH 3.28Å; F275-Y325 AromaticContact CZ-CE1 3.97Å; F275-Y325 HydrophobicContact CZ-CE1 3.97Å; F275-Y325 AromaticContact CZ-CZ 3.95Å
276	K	97	Very high	94.6	Very high	100 Å²	100	41.8 Å²	41.8	44%	0.435	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.9	-178.9	-68.3	-175.5	170.1	-157.8	0	110.2	E308 V309 H353 V354 Y355	K276-E308 IonicContact NZ-OE2 3.1Å; K276-E308 PolarHBondContact NZ-OE2 2.78Å; K276-V309 WeakPolarHBondContact CA-O 3.34Å; K276-H353 PolarHBondContact O-CE1 3.49Å; K276-V354 VanDerWaalsContact O-O 3.05Å; K276-Y355 WeakPolarHBondContact O-CA 3.41Å
277	T	97.5	Very high	95.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.4	170.9	-59.7	0	0	0	0	108	L279 V309 I327 H353 V354	T277-L279 HydrophobicContact CG2-CD2 3.75Å; T277-L279 HydrophobicContact CG2-CG 4.35Å; T277-V309 PolarHBondContact N-O 2.79Å; T277-V309 PolarHBondContact O-N 3.1Å; T277-I327 HydrophobicContact CG2-CD1 4.34Å; T277-H353 VanDerWaalsContact CG2-O 3.25Å; T277-H353 WeakPolarHBondContact CG2-O 3.44Å; T277-V354 VanDerWaalsContact CA-O 3.3Å; T277-V354 WeakPolarHBondContact CA-O 3.33Å; T277-V354 WeakPolarHBondContact CB-O 3.41Å; T277-V354 PolarHBondContact OG1-O 2.82Å
278	I	97.6	Very high	95.7	Very high	40 Å²	40	41.3 Å²	41.3	21%	0.205	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.1	179.7	-54.8	-67.2	0	0	0	106.8	E308 H353	I278-E308 HydrophobicContact CD1-CB 4.47Å; I278-E308 HydrophobicContact CD1-CG 3.72Å; I278-H353 HydrophobicContact CB-CB 4.18Å; I278-H353 PolarHBondContact N-ND1 3.08Å
279	L	97.2	Very high	96.2	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	158.7	176.5	-56.1	-178.8	0	0	0	110.3	T277 A283 V286 V307 V309 Y329	T277-L279 HydrophobicContact CG2-CD2 3.75Å; T277-L279 HydrophobicContact CG2-CG 4.35Å; L279-A283 HydrophobicContact CB-CB 3.96Å; L279-A283 HydrophobicContact CD1-CB 4.35Å; L279-V286 HydrophobicContact CD1-CG1 3.92Å; L279-V286 HydrophobicContact CD1-CG2 3.84Å; L279-V307 HydrophobicContact CB-CB 4.22Å; L279-V307 PolarHBondContact N-O 3.1Å; L279-V307 PolarHBondContact O-N 2.86Å; L279-V309 HydrophobicContact CD1-CG2 3.7Å; L279-V309 HydrophobicContact CG-CG2 4.16Å; L279-Y329 HydrophobicContact CD1-CD1 4.2Å; L279-Y329 HydrophobicContact CD1-CG 4.36Å; L279-Y329 HydrophobicContact CD2-CD1 4.06Å; L279-Y329 HydrophobicContact CD2-CE1 3.76Å
280	P	96.2	Very high	96.4	Very high	16 Å²	16	44.3 Å²	44.3	10%	0.104	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	147.6	172.3	-22.5	32.6	0	0	0	112.4	S282 A283 Y329 L331 Y336	P280-S282 PolarHBondContact O-N 2.84Å; P280-A283 WeakPolarHBondContact O-CB 3.42Å; P280-A283 PolarHBondContact O-N 2.8Å; P280-Y329 HydrophobicContact CG-CE2 4.35Å; P280-L331 HydrophobicContact CB-CD2 4.06Å; P280-L331 HydrophobicContact CG-CD2 4.28Å; P280-Y336 VanDerWaalsContact CB-OH 3.25Å; P280-Y336 WeakPolarHBondContact CB-OH 3.45Å
281	A	94.9	Very high	96.4	Very high	50 Å²	50	51.5 Å²	51.5	41%	0.413	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.8	-177.1	0	0	0	0	0	114.2	A283	A281-A283 VanDerWaalsContact C-N 3.33Å
282	S	95.3	Very high	96.5	Very high	16 Å²	16	57.4 Å²	57.4	11%	0.112	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	8	-179.3	56.6	0	0	0	0	114.3	P280 Q284 P332 E335	P280-S282 PolarHBondContact O-N 2.84Å; S282-Q284 PolarHBondContact O-N 2.78Å; S282-P332 WeakPolarHBondContact O-CD 3.49Å; S282-E335 WeakPolarHBondContact CB-OE1 3.28Å; S282-E335 WeakPolarHBondContact CB-OE2 3.48Å; S282-E335 PolarHBondContact OG-OE2 3.07Å
283	A	96.8	Very high	96.4	Very high	14 Å²	14	58.6 Å²	58.6	12%	0.116	30%	0.3	C	S	.	.			trans	-62.5	125.1	177.1	0	0	0	0	0	111.5	L279 P280 A281 V286 V307 Y329 L331	L279-A283 HydrophobicContact CB-CB 3.96Å; L279-A283 HydrophobicContact CD1-CB 4.35Å; P280-A283 WeakPolarHBondContact O-CB 3.42Å; P280-A283 PolarHBondContact O-N 2.8Å; A281-A283 VanDerWaalsContact C-N 3.33Å; A283-V286 HydrophobicContact CB-CG2 4.42Å; A283-V307 HydrophobicContact CB-CG2 4.41Å; A283-Y329 HydrophobicContact CB-CD2 3.9Å; A283-Y329 HydrophobicContact CB-CG 4.35Å; A283-L331 HydrophobicContact CB-CD2 4.28Å
284	Q	95.5	Very high	96.6	Very high	118 Å²	118	58.1 Å²	58.1	55%	0.551	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	163	177.8	-66.3	179.2	5.5	0	0	110.2	S282 V286 N330	S282-Q284 PolarHBondContact O-N 2.78Å; Q284-V286 PolarHBondContact O-N 2.86Å; Q284-V286 VanDerWaalsContact O-N 3.16Å; Q284-N330 PolarHBondContact N-O 2.87Å; Q284-N330 PolarHBondContact O-N 3.27Å
285	D	96.5	Very high	96.6	Very high	112 Å²	112	56.3 Å²	56.3	60%	0.599	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.7	40.4	176.2	-52.4	-38.5	0	0	0	114.2	Y287 N330	D285-Y287 WeakPolarHBondContact O-CD1 3.31Å; D285-Y287 PolarHBondContact O-N 3.29Å; D285-N330 PolarHBondContact OD2-ND2 2.85Å
286	V	97.7	Very high	96.5	Very high	41 Å²	41	60.6 Å²	60.6	25%	0.248	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	125.2	-179.2	-173.9	0	0	0	0	109.9	L279 A283 Q284 L300 V309 I327 G328	L279-V286 HydrophobicContact CD1-CG1 3.92Å; L279-V286 HydrophobicContact CD1-CG2 3.84Å; A283-V286 HydrophobicContact CB-CG2 4.42Å; Q284-V286 PolarHBondContact O-N 2.86Å; Q284-V286 VanDerWaalsContact O-N 3.16Å; V286-L300 HydrophobicContact CB-CD1 3.77Å; V286-L300 HydrophobicContact CG1-CD1 4.29Å; V286-L300 HydrophobicContact CG2-CD1 3.68Å; V286-V309 HydrophobicContact CG1-CG2 4.35Å; V286-I327 HydrophobicContact CG1-CG1 4.44Å; V286-G328 CarbonylContact C-O 3.51Å; V286-G328 VanDerWaalsContact CA-O 3.32Å; V286-G328 WeakPolarHBondContact CA-O 3.45Å
287	Y	97.8	Very high	96.4	Very high	85 Å²	85	58.8 Å²	58.8	33%	0.333	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.5	172.1	60.5	-91.8	0	0	0	111.4	E240 D285 R289 I326 I327 G328	E240-Y287 WeakPolarHBondContact CG-OH 3.48Å; E240-Y287 PolarHBondContact OE2-OH 2.84Å; E240-Y287 VanDerWaalsContact OE2-OH 3.05Å; D285-Y287 WeakPolarHBondContact O-CD1 3.31Å; D285-Y287 PolarHBondContact O-N 3.29Å; Y287-R289 HydrophobicContact CD2-CG 4.35Å; Y287-I326 HydrophobicContact CE2-CG2 4.29Å; Y287-I327 WeakPolarHBondContact O-CA 3.3Å; Y287-G328 WeakPolarHBondContact CD1-O 3.04Å; Y287-G328 PolarHBondContact N-O 2.98Å; Y287-G328 PolarHBondContact O-N 3.4Å; Y287-G328 VanDerWaalsContact O-N 3.07Å
288	Y	97.9	Very high	96.3	Very high	7 Å²	7	61.4 Å²	61.4	3%	0.027	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	113.7	179.3	173.1	-128.7	0	0	0	109.5	N294 I295 V311 Y325	Y288-N294 PolarHBondContact O-OD1 3.2Å; Y288-I295 HydrophobicContact CD1-CB 3.68Å; Y288-I295 HydrophobicContact CD1-CG2 3.86Å; Y288-I295 HydrophobicContact CE1-CB 3.5Å; Y288-I295 HydrophobicContact CE1-CD1 3.88Å; Y288-I295 HydrophobicContact CE1-CG1 4.29Å; Y288-I295 HydrophobicContact CE1-CG2 3.31Å; Y288-I295 HydrophobicContact CE2-CD1 4.11Å; Y288-I295 HydrophobicContact CG-CB 4.47Å; Y288-I295 PolarHBondContact O-N 3.2Å; Y288-I295 VanDerWaalsContact O-N 3.13Å; Y288-V311 HydrophobicContact CD2-CG1 4.34Å; Y288-V311 HydrophobicContact CE1-CG1 3.84Å; Y288-V311 HydrophobicContact CE2-CG1 3.63Å; Y288-V311 WeakPolarHBondContact OH-CG1 3.28Å; Y288-Y325 AromaticContact CD2-CD2 3.98Å; Y288-Y325 HydrophobicContact CD2-CD2 3.98Å; Y288-Y325 AromaticContact CE2-CD2 3.47Å; Y288-Y325 HydrophobicContact CE2-CD2 3.47Å; Y288-Y325 VanDerWaalsContact CE2-CD2 3.47Å; Y288-Y325 HydrophobicContact CE2-CE2 4.21Å; Y288-Y325 AromaticContact CE2-CG 3.67Å; Y288-Y325 HydrophobicContact CE2-CG 3.67Å
289	R	97.8	Very high	96.3	Very high	104 Å²	104	64.8 Å²	64.8	39%	0.392	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	168	-173	70.1	-176.9	-165.8	129	-2.1	111.7	E240 Y287 G293 Y325 I326	E240-R289 IonicContact OE2-NH2 3.5Å; Y287-R289 HydrophobicContact CD2-CG 4.35Å; R289-G293 WeakPolarHBondContact CA-O 3.3Å; R289-G293 WeakPolarHBondContact CB-O 3.37Å; R289-Y325 WeakPolarHBondContact O-CA 3.41Å; R289-I326 HydrophobicContact CG-CB 3.91Å; R289-I326 HydrophobicContact CG-CG2 4.45Å; R289-I326 PolarHBondContact N-O 3.45Å; R289-I326 PolarHBondContact O-N 3.41Å
290	D	95.8	Very high	96.3	Very high	18 Å²	18	68.3 Å²	68.3	10%	0.096	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-172.8	165.4	63.6	5.6	0	0	0	110.8	I292 G293 I295 R314	D290-I292 PolarHBondContact O-N 3.02Å; D290-I292 WeakPolarHBondContact OD1-CG1 3.46Å; D290-I292 PolarHBondContact OD1-N 2.75Å; D290-G293 PolarHBondContact N-O 3.08Å; D290-G293 PolarHBondContact O-N 2.81Å; D290-G293 PolarHBondContact OD1-N 2.88Å; D290-I295 HydrophobicContact CB-CD1 3.92Å; D290-I295 HydrophobicContact CB-CG1 4.49Å; D290-R314 IonicContact OD1-CZ 3.59Å; D290-R314 IonicContact OD1-NE 2.74Å; D290-R314 IonicContact OD1-NH2 3.88Å; D290-R314 PolarHBondContact OD1-NH2 3.39Å; D290-R314 WeakPolarHBondContact OD2-CD 3.25Å; D290-R314 IonicContact OD2-CZ 3.39Å; D290-R314 IonicContact OD2-NE 3.96Å; D290-R314 PolarHBondContact OD2-NE 2.97Å; D290-R314 IonicContact OD2-NH2 3.86Å; D290-R314 PolarHBondContact OD2-NH2 2.83Å
291	E	94.4	Very high	96.3	Very high	157 Å²	157	72 Å²	72	73%	0.734	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.5	179.9	-67.4	179.8	-170.7	0	0	113.5	H324	E291-H324 WeakPolarHBondContact CG-ND1 3.29Å; E291-H324 IonicContact OE1-CE1 2.65Å; E291-H324 PolarHBondContact OE1-CE1 2.85Å; E291-H324 IonicContact OE1-CG 2.87Å; E291-H324 IonicContact OE1-ND1 3.23Å; E291-H324 PolarHBondContact OE1-ND1 3.16Å
292	I	95.7	Very high	96.4	Very high	139 Å²	139	74.5 Å²	74.5	71%	0.713	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-3	-176	65.3	168.1	0	0	0	113	D290	D290-I292 PolarHBondContact O-N 3.02Å; D290-I292 WeakPolarHBondContact OD1-CG1 3.46Å; D290-I292 PolarHBondContact OD1-N 2.75Å
293	G	95.9	Very high	96.4	Very high	28 Å²	28	76.3 Å²	76.3	29%	0.289	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	135.6	-157.7	170.2	0	0	0	0	0	113.9	R289 D290	R289-G293 WeakPolarHBondContact CA-O 3.3Å; R289-G293 WeakPolarHBondContact CB-O 3.37Å; D290-G293 PolarHBondContact N-O 3.08Å; D290-G293 PolarHBondContact O-N 2.81Å; D290-G293 PolarHBondContact OD1-N 2.88Å
294	N	97.1	Very high	96.2	Very high	113 Å²	113	84 Å²	84	60%	0.604	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	145.8	-176.7	-168	60.5	0	0	0	112	Y288 R314	Y288-N294 PolarHBondContact O-OD1 3.2Å; N294-R314 PolarHBondContact O-NH2 3.41Å
295	I	97.1	Very high	96.1	Very high	4 Å²	4	84.4 Å²	84.4	2%	0.021	45%	0.45	C	S	.	.			trans	-111.9	109.7	169	-59.4	171.2	0	0	0	107.9	Y288 D290 T297 R314	Y288-I295 HydrophobicContact CD1-CB 3.68Å; Y288-I295 HydrophobicContact CD1-CG2 3.86Å; Y288-I295 HydrophobicContact CE1-CB 3.5Å; Y288-I295 HydrophobicContact CE1-CD1 3.88Å; Y288-I295 HydrophobicContact CE1-CG1 4.29Å; Y288-I295 HydrophobicContact CE1-CG2 3.31Å; Y288-I295 HydrophobicContact CE2-CD1 4.11Å; Y288-I295 HydrophobicContact CG-CB 4.47Å; Y288-I295 PolarHBondContact O-N 3.2Å; Y288-I295 VanDerWaalsContact O-N 3.13Å; D290-I295 HydrophobicContact CB-CD1 3.92Å; D290-I295 HydrophobicContact CB-CG1 4.49Å; I295-T297 WeakPolarHBondContact CG2-OG1 3.23Å; I295-T297 PolarHBondContact O-N 2.9Å; I295-R314 HydrophobicContact CD1-CG 4.24Å; I295-R314 HydrophobicContact CG1-CG 4.22Å
296	S	94.9	Very high	96.1	Very high	106 Å²	106	79.7 Å²	79.7	74%	0.741	43%	0.426	S	S	*	.			trans	-81	-2	-177.4	61.7	0	0	0	0	114.1	S298	S296-S298 PolarHBondContact O-N 2.89Å
297	T	95.3	Very high	96.1	Very high	62 Å²	62	77.8 Å²	77.8	38%	0.38	41%	0.414	S	S	.	.			trans	-91.4	70.6	179	49.8	0	0	0	0	110.1	I295 R312	I295-T297 WeakPolarHBondContact CG2-OG1 3.23Å; I295-T297 PolarHBondContact O-N 2.9Å; T297-R312 VanDerWaalsContact O-CB 3.29Å; T297-R312 WeakPolarHBondContact O-CB 3.46Å; T297-R312 PolarHBondContact O-N 2.82Å; T297-R312 VanDerWaalsContact O-N 3.14Å; T297-R312 PolarHBondContact OG1-O 2.82Å
298	S	95.8	Very high	96.1	Very high	57 Å²	57	75.6 Å²	75.6	40%	0.399	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.8	170.8	54.2	0	0	0	0	110.2	S296 E310	S296-S298 PolarHBondContact O-N 2.89Å; S298-E310 VanDerWaalsContact CA-O 3.25Å; S298-E310 WeakPolarHBondContact CA-O 3.41Å
299	H	97.1	Very high	96.1	Very high	110 Å²	110	75.5 Å²	75.5	51%	0.509	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	114.5	174.4	-175.7	-79.9	0	0	0	109.5	E310	H299-E310 HydrophobicContact CB-CB 4.18Å; H299-E310 PolarHBondContact N-O 2.87Å; H299-E310 PolarHBondContact O-N 2.74Å
300	L	96.6	Very high	96.1	Very high	78 Å²	78	72.5 Å²	72.5	41%	0.408	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132	178.6	-175.9	153.9	0	0	0	109.7	V286 V302 V307 E308 V309	V286-L300 HydrophobicContact CB-CD1 3.77Å; V286-L300 HydrophobicContact CG1-CD1 4.29Å; V286-L300 HydrophobicContact CG2-CD1 3.68Å; L300-V302 HydrophobicContact CD2-CG2 3.64Å; L300-V307 HydrophobicContact CD1-CG1 3.88Å; L300-V307 HydrophobicContact CD2-CG1 3.81Å; L300-V307 HydrophobicContact CG-CG1 3.67Å; L300-E308 CarbonylContact C-O 3.57Å; L300-E308 WeakPolarHBondContact CA-O 3.24Å; L300-V309 HydrophobicContact CD1-CG2 4.2Å; L300-V309 HydrophobicContact CG-CG2 4.25Å
301	Q	97.1	Very high	96.1	Very high	94 Å²	94	71.6 Å²	71.6	44%	0.439	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	118.1	175.1	-178.9	173.5	-12.1	0	0	109.2	L303 E308	Q301-L303 HydrophobicContact CG-CD2 4.09Å; Q301-E308 HydrophobicContact CB-CB 4.47Å; Q301-E308 PolarHBondContact N-O 3.24Å; Q301-E308 PolarHBondContact O-N 2.76Å
302	V	96.4	Very high	96.3	Very high	101 Å²	101	70 Å²	70	61%	0.612	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	122.6	174.8	-176.2	0	0	0	0	108.4	L300 V307	L300-V302 HydrophobicContact CD2-CG2 3.64Å; V302-V307 HydrophobicContact CG1-CG2 4.38Å; V302-V307 HydrophobicContact CG2-CG2 4.45Å
303	L	95.6	Very high	96.3	Very high	55 Å²	55	63.8 Å²	63.8	29%	0.288	35%	0.349	S	S	.	.			trans	-107.7	174.9	172.7	-58.4	178.3	0	0	0	109.7	Q301 D305 S306 E308	Q301-L303 HydrophobicContact CG-CD2 4.09Å; L303-D305 VanDerWaalsContact C-N 3.33Å; L303-D305 PolarHBondContact O-N 3.01Å; L303-S306 CarbonylContact C-O 3.57Å; L303-S306 WeakPolarHBondContact CA-O 3.39Å; L303-S306 WeakPolarHBondContact CB-O 3.44Å; L303-S306 PolarHBondContact N-O 2.9Å; L303-E308 HydrophobicContact CD1-CG 3.64Å; L303-E308 HydrophobicContact CG-CG 4.34Å
304	D	91.9	Very high	96.3	Very high	174 Å²	174	67.9 Å²	67.9	93%	0.93	36%	0.355	S	S	*	.	S	Bend	trans	-69.1	-31.6	-178.9	-67.9	-22.4	0	0	0	112.5
305	D	94	Very high	96.2	Very high	127 Å²	127	66.6 Å²	66.6	68%	0.679	35%	0.345	S	S	*	.	S	Bend	trans	-112.7	-8.2	-173.7	66.3	-12.7	0	0	0	114.1	L303	L303-D305 VanDerWaalsContact C-N 3.33Å; L303-D305 PolarHBondContact O-N 3.01Å
306	S	96.1	Very high	96.2	Very high	13 Å²	13	67 Å²	67	9%	0.091	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	167.5	-171.1	57.9	0	0	0	0	112.4	L303	L303-S306 CarbonylContact C-O 3.57Å; L303-S306 WeakPolarHBondContact CA-O 3.39Å; L303-S306 WeakPolarHBondContact CB-O 3.44Å; L303-S306 PolarHBondContact N-O 2.9Å
307	V	97.4	Very high	96.3	Very high	2 Å²	2	62 Å²	62	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111.7	168.5	178	0	0	0	0	108.2	L279 A283 L300 V302 V309	L279-V307 HydrophobicContact CB-CB 4.22Å; L279-V307 PolarHBondContact N-O 3.1Å; L279-V307 PolarHBondContact O-N 2.86Å; A283-V307 HydrophobicContact CB-CG2 4.41Å; L300-V307 HydrophobicContact CD1-CG1 3.88Å; L300-V307 HydrophobicContact CD2-CG1 3.81Å; L300-V307 HydrophobicContact CG-CG1 3.67Å; V302-V307 HydrophobicContact CG1-CG2 4.38Å; V302-V307 HydrophobicContact CG2-CG2 4.45Å; V307-V309 HydrophobicContact CG1-CG2 4.39Å
308	E	97.6	Very high	96.4	Very high	39 Å²	39	59.3 Å²	59.3	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134.3	174.6	-60.7	-163.2	174.5	0	0	110.4	K276 I278 L300 Q301 L303	K276-E308 IonicContact NZ-OE2 3.1Å; K276-E308 PolarHBondContact NZ-OE2 2.78Å; I278-E308 HydrophobicContact CD1-CB 4.47Å; I278-E308 HydrophobicContact CD1-CG 3.72Å; L300-E308 CarbonylContact C-O 3.57Å; L300-E308 WeakPolarHBondContact CA-O 3.24Å; Q301-E308 HydrophobicContact CB-CB 4.47Å; Q301-E308 PolarHBondContact N-O 3.24Å; Q301-E308 PolarHBondContact O-N 2.76Å; L303-E308 HydrophobicContact CD1-CG 3.64Å; L303-E308 HydrophobicContact CG-CG 4.34Å
309	V	97.7	Very high	96.4	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	108.3	172.9	-173.4	0	0	0	0	108.7	K276 T277 L279 V286 L300 V307 V311	K276-V309 WeakPolarHBondContact CA-O 3.34Å; T277-V309 PolarHBondContact N-O 2.79Å; T277-V309 PolarHBondContact O-N 3.1Å; L279-V309 HydrophobicContact CD1-CG2 3.7Å; L279-V309 HydrophobicContact CG-CG2 4.16Å; V286-V309 HydrophobicContact CG1-CG2 4.35Å; L300-V309 HydrophobicContact CD1-CG2 4.2Å; L300-V309 HydrophobicContact CG-CG2 4.25Å; V307-V309 HydrophobicContact CG1-CG2 4.39Å; V309-V311 HydrophobicContact CG1-CG2 4Å; V309-V311 PolarHBondContact O-N 3.05Å
310	E	97.9	Very high	96.4	Very high	41 Å²	41	52.8 Å²	52.8	19%	0.192	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	112.5	167.8	-168.9	-168.4	165.4	0	0	108.6	S274 S298 H299 R312	S274-E310 VanDerWaalsContact CB-OE1 3.25Å; S274-E310 WeakPolarHBondContact CB-OE1 3.4Å; S274-E310 PolarHBondContact OG-OE1 3.29Å; S298-E310 VanDerWaalsContact CA-O 3.25Å; S298-E310 WeakPolarHBondContact CA-O 3.41Å; H299-E310 HydrophobicContact CB-CB 4.18Å; H299-E310 PolarHBondContact N-O 2.87Å; H299-E310 PolarHBondContact O-N 2.74Å; E310-R312 IonicContact OE1-CZ 3.85Å; E310-R312 VanDerWaalsContact OE1-CZ 3.29Å; E310-R312 IonicContact OE1-NE 3.66Å; E310-R312 PolarHBondContact OE1-NE 2.82Å; E310-R312 IonicContact OE1-NH2 3.36Å; E310-R312 PolarHBondContact OE1-NH2 2.83Å; E310-R312 IonicContact OE2-NH2 3.42Å
311	V	96.9	Very high	96.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.3	-179.4	-180	0	0	0	0	109.2	S274 F275 Y288 V309	S274-V311 VanDerWaalsContact CA-O 3.22Å; S274-V311 WeakPolarHBondContact CA-O 3.35Å; S274-V311 WeakPolarHBondContact CB-O 3.41Å; F275-V311 HydrophobicContact CD2-CB 4.19Å; F275-V311 HydrophobicContact CE2-CB 3.78Å; F275-V311 HydrophobicContact CE2-CG1 3.94Å; F275-V311 HydrophobicContact CE2-CG2 4.34Å; F275-V311 HydrophobicContact CZ-CB 4.11Å; F275-V311 HydrophobicContact CZ-CG1 3.82Å; F275-V311 PolarHBondContact N-O 2.91Å; F275-V311 VanDerWaalsContact N-O 3.15Å; F275-V311 PolarHBondContact O-N 3.31Å; Y288-V311 HydrophobicContact CD2-CG1 4.34Å; Y288-V311 HydrophobicContact CE1-CG1 3.84Å; Y288-V311 HydrophobicContact CE2-CG1 3.63Å; Y288-V311 WeakPolarHBondContact OH-CG1 3.28Å; V309-V311 HydrophobicContact CG1-CG2 4Å; V309-V311 PolarHBondContact O-N 3.05Å
312	R	97.5	Very high	96.5	Very high	123 Å²	123	56 Å²	56	46%	0.464	27%	0.274	S	S	.	.			trans	-114.8	111.2	171.3	-73.5	166	-176.5	-165.2	5.8	109.6	T297 E310	T297-R312 VanDerWaalsContact O-CB 3.29Å; T297-R312 WeakPolarHBondContact O-CB 3.46Å; T297-R312 PolarHBondContact O-N 2.82Å; T297-R312 VanDerWaalsContact O-N 3.14Å; T297-R312 PolarHBondContact OG1-O 2.82Å; E310-R312 IonicContact OE1-CZ 3.85Å; E310-R312 VanDerWaalsContact OE1-CZ 3.29Å; E310-R312 IonicContact OE1-NE 3.66Å; E310-R312 PolarHBondContact OE1-NE 2.82Å; E310-R312 IonicContact OE1-NH2 3.36Å; E310-R312 PolarHBondContact OE1-NH2 2.83Å; E310-R312 IonicContact OE2-NH2 3.42Å
313	P	96.7	Very high	96.5	Very high	9 Å²	9	51.9 Å²	51.9	6%	0.058	25%	0.25	C	C	.	.			trans	-57.9	160.5	171.1	-21.4	32.4	0	0	0	111.8	F275 F315 L317 T323	F275-P313 HydrophobicContact CE1-CG 4Å; P313-F315 PolarHBondContact O-N 3.05Å; P313-L317 HydrophobicContact CG-CD1 4.42Å; P313-T323 HydrophobicContact CB-CG2 4.4Å; P313-T323 HydrophobicContact CG-CG2 4.37Å
314	R	95.8	Very high	96.6	Very high	113 Å²	113	51.3 Å²	51.3	43%	0.426	25%	0.245	S	C	.	.	S	Bend	trans	-57.4	-25.1	-179.4	-68.5	-166	-176.2	-82.2	-5.6	113.9	D290 N294 I295	D290-R314 IonicContact OD1-CZ 3.59Å; D290-R314 IonicContact OD1-NE 2.74Å; D290-R314 IonicContact OD1-NH2 3.88Å; D290-R314 PolarHBondContact OD1-NH2 3.39Å; D290-R314 WeakPolarHBondContact OD2-CD 3.25Å; D290-R314 IonicContact OD2-CZ 3.39Å; D290-R314 IonicContact OD2-NE 3.96Å; D290-R314 PolarHBondContact OD2-NE 2.97Å; D290-R314 IonicContact OD2-NH2 3.86Å; D290-R314 PolarHBondContact OD2-NH2 2.83Å; N294-R314 PolarHBondContact O-NH2 3.41Å; I295-R314 HydrophobicContact CD1-CG 4.24Å; I295-R314 HydrophobicContact CG1-CG 4.22Å
315	F	95.6	Very high	96.9	Very high	87 Å²	87	43 Å²	43	38%	0.382	20%	0.201	S	C	.	.	S	Bend	trans	-142.2	149.5	177.7	49.4	-95.9	0	0	0	109.6	P313 L317 W321	P313-F315 PolarHBondContact O-N 3.05Å; F315-L317 HydrophobicContact CD2-CD2 4.07Å; F315-L317 HydrophobicContact CE2-CD2 3.69Å; F315-W321 HydrophobicContact CB-CZ3 4.47Å; F315-W321 AromaticContact CD2-CE3 3.56Å; F315-W321 HydrophobicContact CD2-CE3 3.56Å; F315-W321 AromaticContact CD2-CZ3 3.85Å; F315-W321 HydrophobicContact CD2-CZ3 3.85Å; F315-W321 AromaticContact CE2-CE3 3.92Å; F315-W321 HydrophobicContact CE2-CE3 3.92Å; F315-W321 HydrophobicContact CG-CZ3 4.49Å
316	P	96	Very high	97.2	Very high	13 Å²	13	37.8 Å²	37.8	8%	0.084	17%	0.173	C	C	.	.			trans	-62.1	142.3	174.7	28.4	-35.3	0	0	0	110	F256 Y261 V272 F318 W321	F256-P316 HydrophobicContact CZ-CG 4.5Å; Y261-P316 HydrophobicContact CE1-CB 4.26Å; Y261-P316 HydrophobicContact CE1-CG 3.92Å; Y261-P316 WeakPolarHBondContact OH-CB 3.18Å; V272-P316 CarbonylContact O-C 3.58Å; V272-P316 VanDerWaalsContact O-CA 3.28Å; V272-P316 WeakPolarHBondContact O-CA 3.4Å; P316-F318 HydrophobicContact CG-CE2 4.28Å; P316-W321 WeakPolarHBondContact O-CZ3 3.3Å
317	L	97.3	Very high	97.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-90.4	112.3	-179.9	-57.1	175.2	0	0	0	109.5	L220 L245 H247 S271 V272 P313 F315 W321 T323	L220-L317 HydrophobicContact CD2-CD1 3.93Å; L245-L317 HydrophobicContact CD2-CD1 3.99Å; H247-L317 HydrophobicContact CB-CB 4.19Å; H247-L317 PolarHBondContact CD2-O 2.65Å; H247-L317 VanDerWaalsContact CD2-O 3.25Å; S271-L317 WeakPolarHBondContact CA-O 3.33Å; V272-L317 HydrophobicContact CB-CB 4.31Å; V272-L317 PolarHBondContact N-O 3.42Å; V272-L317 PolarHBondContact O-N 2.8Å; P313-L317 HydrophobicContact CG-CD1 4.42Å; F315-L317 HydrophobicContact CD2-CD2 4.07Å; F315-L317 HydrophobicContact CE2-CD2 3.69Å; L317-W321 HydrophobicContact CD2-CB 4.32Å; L317-T323 HydrophobicContact CD1-CG2 3.86Å; L317-T323 HydrophobicContact CD2-CG2 4.14Å
318	F	97.3	Very high	97.3	Very high	5 Å²	5	37.1 Å²	37.1	2%	0.022	17%	0.168	C	C	.	.			trans	-91.6	162.4	164	-79.2	-97.6	0	0	0	110.2	Q143 H247 L252 F256 Y261 P316 G320 W321	Q143-F318 HydrophobicContact CB-CE1 4.46Å; Q143-F318 HydrophobicContact CG-CE1 3.79Å; Q143-F318 HydrophobicContact CG-CZ 3.81Å; H247-F318 WeakPolarHBondContact CB-O 3.24Å; L252-F318 HydrophobicContact CB-CB 4.04Å; L252-F318 HydrophobicContact CD1-CD1 3.9Å; L252-F318 HydrophobicContact CD1-CE1 4.37Å; L252-F318 HydrophobicContact CD2-CB 4.16Å; L252-F318 HydrophobicContact CD2-CD1 4.37Å; L252-F318 HydrophobicContact CD2-CG 4.18Å; F256-F318 HydrophobicContact CD2-CD2 4.35Å; F256-F318 AromaticContact CD2-CE2 3.83Å; F256-F318 HydrophobicContact CD2-CE2 3.83Å; F256-F318 HydrophobicContact CD2-CZ 4.27Å; F256-F318 HydrophobicContact CE2-CD2 4.45Å; F256-F318 AromaticContact CE2-CE2 3.64Å; F256-F318 HydrophobicContact CE2-CE2 3.64Å; F256-F318 HydrophobicContact CE2-CZ 4.17Å; Y261-F318 HydrophobicContact CD2-CE2 4.26Å; Y261-F318 AromaticContact CD2-CZ 3.87Å; Y261-F318 HydrophobicContact CD2-CZ 3.87Å; Y261-F318 HydrophobicContact CE2-CE2 4.02Å; Y261-F318 AromaticContact CE2-CZ 3.79Å; Y261-F318 HydrophobicContact CE2-CZ 3.79Å; P316-F318 HydrophobicContact CG-CE2 4.28Å; F318-G320 PolarHBondContact O-N 2.88Å; F318-W321 HydrophobicContact CB-CD2 4.18Å; F318-W321 HydrophobicContact CB-CG 4.43Å; F318-W321 HydrophobicContact CD2-CH2 4.3Å; F318-W321 HydrophobicContact CD2-CZ3 4.3Å; F318-W321 VanDerWaalsContact O-CB 3.22Å; F318-W321 WeakPolarHBondContact O-CB 3.44Å; F318-W321 PolarHBondContact O-N 2.98Å
319	G	96.6	Very high	97.3	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.031	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-52.7	131.1	-179.4	0	0	0	0	0	113.6	H247 A250 I251 L252 W321	H247-G319 WeakPolarHBondContact ND1-CA 3.36Å; A250-G319 WeakPolarHBondContact O-CA 3.43Å; I251-G319 WeakPolarHBondContact CA-O 3.37Å; L252-G319 PolarHBondContact N-O 2.84Å; L252-G319 VanDerWaalsContact N-O 3.09Å; G319-W321 VanDerWaalsContact C-N 3.32Å
320	G	96	Very high	97.3	Very high	28 Å²	28	36.9 Å²	36.9	29%	0.289	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-16.5	-174.8	0	0	0	0	0	114.7	H247 F318	H247-G320 PolarHBondContact O-N 2.82Å; F318-G320 PolarHBondContact O-N 2.88Å
321	W	98	Very high	97.3	Very high	75 Å²	75	35.1 Å²	35.1	28%	0.284	16%	0.16	S	C	.	.			trans	-75.6	150.8	177.5	-64.6	14	0	0	0	110.7	H247 L252 F256 F315 P316 L317 F318 G319	H247-W321 PolarHBondContact N-O 2.9Å; L252-W321 HydrophobicContact CD2-CZ2 3.92Å; F256-W321 HydrophobicContact CB-CH2 4.25Å; F256-W321 HydrophobicContact CB-CZ2 4.24Å; F256-W321 HydrophobicContact CD1-CH2 4.28Å; F256-W321 HydrophobicContact CD2-CH2 4.33Å; F256-W321 HydrophobicContact CG-CH2 4.02Å; F256-W321 HydrophobicContact CG-CZ2 4.49Å; F315-W321 HydrophobicContact CB-CZ3 4.47Å; F315-W321 AromaticContact CD2-CE3 3.56Å; F315-W321 HydrophobicContact CD2-CE3 3.56Å; F315-W321 AromaticContact CD2-CZ3 3.85Å; F315-W321 HydrophobicContact CD2-CZ3 3.85Å; F315-W321 AromaticContact CE2-CE3 3.92Å; F315-W321 HydrophobicContact CE2-CE3 3.92Å; F315-W321 HydrophobicContact CG-CZ3 4.49Å; P316-W321 WeakPolarHBondContact O-CZ3 3.3Å; L317-W321 HydrophobicContact CD2-CB 4.32Å; F318-W321 HydrophobicContact CB-CD2 4.18Å; F318-W321 HydrophobicContact CB-CG 4.43Å; F318-W321 HydrophobicContact CD2-CH2 4.3Å; F318-W321 HydrophobicContact CD2-CZ3 4.3Å; F318-W321 VanDerWaalsContact O-CB 3.22Å; F318-W321 WeakPolarHBondContact O-CB 3.44Å; F318-W321 PolarHBondContact O-N 2.98Å; G319-W321 VanDerWaalsContact C-N 3.32Å
322	K	97.6	Very high	97.3	Very high	163 Å²	163	36 Å²	36	71%	0.709	17%	0.165	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.4	179.5	62	177.1	-176	169.7	0	110.2	L245	L245-K322 CarbonylContact O-C 3.52Å; L245-K322 VanDerWaalsContact O-CA 3.24Å; L245-K322 WeakPolarHBondContact O-CA 3.46Å
323	T	97.7	Very high	97.2	Very high	15 Å²	15	31.1 Å²	31.1	9%	0.092	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.6	170.4	-171.8	0	0	0	0	108.7	L245 P313 L317 Y325	L245-T323 HydrophobicContact CB-CG2 3.83Å; L245-T323 HydrophobicContact CD2-CG2 4.07Å; L245-T323 HydrophobicContact CG-CG2 4.44Å; L245-T323 PolarHBondContact N-O 3.32Å; L245-T323 PolarHBondContact O-N 2.84Å; P313-T323 HydrophobicContact CB-CG2 4.4Å; P313-T323 HydrophobicContact CG-CG2 4.37Å; L317-T323 HydrophobicContact CD1-CG2 3.86Å; L317-T323 HydrophobicContact CD2-CG2 4.14Å; T323-Y325 HydrophobicContact CG2-CD1 4.25Å
324	H	97.9	Very high	97.1	Very high	43 Å²	43	38.8 Å²	38.8	20%	0.199	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.7	174.5	170.5	-124.1	0	0	0	107	T242 I243 D244 E291	T242-H324 WeakPolarHBondContact CG2-NE2 3.27Å; I243-H324 WeakPolarHBondContact O-CA 3.29Å; D244-H324 IonicContact OD1-CD2 3.29Å; D244-H324 PolarHBondContact OD1-CD2 3.28Å; D244-H324 IonicContact OD1-CG 2.73Å; E291-H324 WeakPolarHBondContact CG-ND1 3.29Å; E291-H324 IonicContact OE1-CE1 2.65Å; E291-H324 PolarHBondContact OE1-CE1 2.85Å; E291-H324 IonicContact OE1-CG 2.87Å; E291-H324 IonicContact OE1-ND1 3.23Å; E291-H324 PolarHBondContact OE1-ND1 3.16Å
325	Y	98.1	Very high	97.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.1	179.7	68.5	-90.7	0	0	0	111.7	I243 L245 F275 Y288 R289 T323 I327 V354	I243-Y325 HydrophobicContact CB-CD1 4.39Å; I243-Y325 HydrophobicContact CB-CD2 4.44Å; I243-Y325 HydrophobicContact CB-CE1 3.98Å; I243-Y325 HydrophobicContact CB-CE2 4.07Å; I243-Y325 HydrophobicContact CD1-CE2 3.59Å; I243-Y325 WeakPolarHBondContact CD1-OH 3.34Å; I243-Y325 HydrophobicContact CG1-CE2 4.33Å; I243-Y325 HydrophobicContact CG2-CE1 3.75Å; I243-Y325 PolarHBondContact N-O 3Å; I243-Y325 PolarHBondContact O-N 2.86Å; L245-Y325 HydrophobicContact CB-CE1 4.3Å; L245-Y325 HydrophobicContact CD2-CE1 4.37Å; F275-Y325 WeakPolarHBondContact CE2-OH 3.28Å; F275-Y325 AromaticContact CZ-CE1 3.97Å; F275-Y325 HydrophobicContact CZ-CE1 3.97Å; F275-Y325 AromaticContact CZ-CZ 3.95Å; Y288-Y325 AromaticContact CD2-CD2 3.98Å; Y288-Y325 HydrophobicContact CD2-CD2 3.98Å; Y288-Y325 AromaticContact CE2-CD2 3.47Å; Y288-Y325 HydrophobicContact CE2-CD2 3.47Å; Y288-Y325 VanDerWaalsContact CE2-CD2 3.47Å; Y288-Y325 HydrophobicContact CE2-CE2 4.21Å; Y288-Y325 AromaticContact CE2-CG 3.67Å; Y288-Y325 HydrophobicContact CE2-CG 3.67Å; R289-Y325 WeakPolarHBondContact O-CA 3.41Å; T323-Y325 HydrophobicContact CG2-CD1 4.25Å; Y325-I327 HydrophobicContact CE2-CB 4.48Å; Y325-I327 HydrophobicContact CE2-CG2 4.34Å; Y325-V354 WeakPolarHBondContact OH-CG1 3.49Å
326	I	98.6	Very high	97.1	Very high	17 Å²	17	34.7 Å²	34.7	9%	0.087	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.3	177.6	-57.5	170.3	0	0	0	107.7	E240 E241 T242 Y287 R289	E240-I326 HydrophobicContact CG-CG2 3.41Å; E240-I326 VanDerWaalsContact CG-CG2 3.41Å; E240-I326 WeakPolarHBondContact OE2-CG2 3.34Å; E241-I326 VanDerWaalsContact O-CA 3.3Å; E241-I326 WeakPolarHBondContact O-CA 3.21Å; T242-I326 HydrophobicContact CG2-CG1 4.19Å; Y287-I326 HydrophobicContact CE2-CG2 4.29Å; R289-I326 HydrophobicContact CG-CB 3.91Å; R289-I326 HydrophobicContact CG-CG2 4.45Å; R289-I326 PolarHBondContact N-O 3.45Å; R289-I326 PolarHBondContact O-N 3.41Å
327	I	98.3	Very high	97.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.3	168.8	-170.1	167.6	0	0	0	108.4	E241 I243 T277 V286 Y287 Y325	E241-I327 HydrophobicContact CB-CG2 4.01Å; E241-I327 PolarHBondContact N-O 3.13Å; E241-I327 PolarHBondContact O-N 2.92Å; I243-I327 HydrophobicContact CD1-CG2 4.08Å; T277-I327 HydrophobicContact CG2-CD1 4.34Å; V286-I327 HydrophobicContact CG1-CG1 4.44Å; Y287-I327 WeakPolarHBondContact O-CA 3.3Å; Y325-I327 HydrophobicContact CE2-CB 4.48Å; Y325-I327 HydrophobicContact CE2-CG2 4.34Å
328	G	98.2	Very high	97.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	154.6	177.7	0	0	0	0	0	112	V239 V286 Y287	V239-G328 CarbonylContact O-C 3.53Å; V239-G328 WeakPolarHBondContact O-CA 3.43Å; V286-G328 CarbonylContact C-O 3.51Å; V286-G328 VanDerWaalsContact CA-O 3.32Å; V286-G328 WeakPolarHBondContact CA-O 3.45Å; Y287-G328 WeakPolarHBondContact CD1-O 3.04Å; Y287-G328 PolarHBondContact N-O 2.98Å; Y287-G328 PolarHBondContact O-N 3.4Å; Y287-G328 VanDerWaalsContact O-N 3.07Å
329	Y	98.2	Very high	97	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	154.7	-174.8	56.6	-82.5	0	0	0	110.6	V239 L279 P280 A283 L331 D352	V239-Y329 HydrophobicContact CB-CD1 4.42Å; V239-Y329 HydrophobicContact CB-CD2 4.4Å; V239-Y329 HydrophobicContact CB-CE1 3.96Å; V239-Y329 HydrophobicContact CB-CE2 3.97Å; V239-Y329 HydrophobicContact CG1-CE1 3.91Å; V239-Y329 HydrophobicContact CG1-CE2 4.49Å; V239-Y329 HydrophobicContact CG2-CE2 4.16Å; V239-Y329 PolarHBondContact N-O 3.42Å; V239-Y329 PolarHBondContact O-N 3.46Å; L279-Y329 HydrophobicContact CD1-CD1 4.2Å; L279-Y329 HydrophobicContact CD1-CG 4.36Å; L279-Y329 HydrophobicContact CD2-CD1 4.06Å; L279-Y329 HydrophobicContact CD2-CE1 3.76Å; P280-Y329 HydrophobicContact CG-CE2 4.35Å; A283-Y329 HydrophobicContact CB-CD2 3.9Å; A283-Y329 HydrophobicContact CB-CG 4.35Å; Y329-L331 HydrophobicContact CD2-CD1 4.42Å; Y329-L331 HydrophobicContact CD2-CD2 4.03Å; Y329-L331 HydrophobicContact CD2-CG 3.96Å; Y329-L331 HydrophobicContact CE2-CD1 3.9Å; Y329-L331 HydrophobicContact CE2-CD2 4.05Å; Y329-L331 HydrophobicContact CE2-CG 3.93Å; Y329-D352 PolarHBondContact OH-OD2 3Å
330	N	98.2	Very high	96.9	Very high	38 Å²	38	51 Å²	51	20%	0.203	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.2	174.7	-69.4	-39.5	0	0	0	110.1	N236 Q284 D285	N236-N330 PolarHBondContact ND2-OD1 2.86Å; Q284-N330 PolarHBondContact N-O 2.87Å; Q284-N330 PolarHBondContact O-N 3.27Å; D285-N330 PolarHBondContact OD2-ND2 2.85Å
331	L	97.3	Very high	96.7	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.3	172.4	-63.8	169.6	0	0	0	109.7	I237 V239 P280 A283 Y329 S333 Y336 M348	I237-L331 PolarHBondContact N-O 3.13Å; I237-L331 PolarHBondContact O-N 2.84Å; V239-L331 HydrophobicContact CG2-CD1 4.16Å; P280-L331 HydrophobicContact CB-CD2 4.06Å; P280-L331 HydrophobicContact CG-CD2 4.28Å; A283-L331 HydrophobicContact CB-CD2 4.28Å; Y329-L331 HydrophobicContact CD2-CD1 4.42Å; Y329-L331 HydrophobicContact CD2-CD2 4.03Å; Y329-L331 HydrophobicContact CD2-CG 3.96Å; Y329-L331 HydrophobicContact CE2-CD1 3.9Å; Y329-L331 HydrophobicContact CE2-CD2 4.05Å; Y329-L331 HydrophobicContact CE2-CG 3.93Å; L331-S333 PolarHBondContact O-N 3.24Å; L331-Y336 HydrophobicContact CB-CD2 4.19Å; L331-Y336 HydrophobicContact CB-CE2 4Å; L331-Y336 HydrophobicContact CD1-CD2 4.14Å; L331-Y336 HydrophobicContact CD1-CE2 3.72Å; L331-Y336 HydrophobicContact CD2-CE2 4.1Å; L331-Y336 HydrophobicContact CG-CE2 4.17Å; L331-M348 HydrophobicContact CD1-CE 3.52Å
332	P	97	Very high	96.3	Very high	17 Å²	17	53.5 Å²	53.5	11%	0.11	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	130.7	171	26.8	-32.5	0	0	0	110.5	S282 Y334 E335	S282-P332 WeakPolarHBondContact O-CD 3.49Å; P332-Y334 VanDerWaalsContact C-N 3.25Å; P332-Y334 HydrophobicContact CB-CD1 3.79Å; P332-Y334 HydrophobicContact CB-CE1 3.32Å; P332-Y334 HydrophobicContact CG-CE1 4.03Å; P332-Y334 PolarHBondContact O-N 3.05Å; P332-E335 HydrophobicContact CG-CG 4.05Å; P332-E335 PolarHBondContact O-N 3.27Å
333	S	95.4	Very high	96.1	Very high	22 Å²	22	51.5 Å²	51.5	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-28.2	-174.3	65.9	0	0	0	0	113.7	G235 L331 E335 Y336 L337	G235-S333 WeakPolarHBondContact CA-OG 3.23Å; G235-S333 PolarHBondContact O-N 2.77Å; G235-S333 VanDerWaalsContact O-N 3.14Å; G235-S333 PolarHBondContact O-OG 2.92Å; L331-S333 PolarHBondContact O-N 3.24Å; S333-E335 PolarHBondContact O-N 2.82Å; S333-Y336 PolarHBondContact O-N 3.03Å; S333-L337 WeakPolarHBondContact O-CA 3.32Å; S333-L337 WeakPolarHBondContact O-CB 3.23Å; S333-L337 PolarHBondContact O-N 2.73Å
334	Y	94.7	Very high	96	Very high	169 Å²	169	51.5 Å²	51.5	66%	0.663	26%	0.259	S	S	*	.	H	α-helix	trans	-66.5	-19.2	-173.9	66.3	-102.5	0	0	0	114.2	P332	P332-Y334 VanDerWaalsContact C-N 3.25Å; P332-Y334 HydrophobicContact CB-CD1 3.79Å; P332-Y334 HydrophobicContact CB-CE1 3.32Å; P332-Y334 HydrophobicContact CG-CE1 4.03Å; P332-Y334 PolarHBondContact O-N 3.05Å
335	E	95	Very high	95.9	Very high	69 Å²	69	50.2 Å²	50.2	32%	0.322	26%	0.255	S	S	.	.	H	α-helix	trans	-81.5	-31.7	179.7	-64.2	-175.2	-174	0	0	112.5	S282 P332 S333	S282-E335 WeakPolarHBondContact CB-OE1 3.28Å; S282-E335 WeakPolarHBondContact CB-OE2 3.48Å; S282-E335 PolarHBondContact OG-OE2 3.07Å; P332-E335 HydrophobicContact CG-CG 4.05Å; P332-E335 PolarHBondContact O-N 3.27Å; S333-E335 PolarHBondContact O-N 2.82Å
336	Y	96.6	Very high	95.8	Very high	46 Å²	46	50.2 Å²	50.2	18%	0.18	26%	0.255	C	S	.	.	H	α-helix	trans	-115.5	-14.2	-171	-59.5	-79.6	0	0	0	113.5	P280 L331 S333 K347 M348	P280-Y336 VanDerWaalsContact CB-OH 3.25Å; P280-Y336 WeakPolarHBondContact CB-OH 3.45Å; L331-Y336 HydrophobicContact CB-CD2 4.19Å; L331-Y336 HydrophobicContact CB-CE2 4Å; L331-Y336 HydrophobicContact CD1-CD2 4.14Å; L331-Y336 HydrophobicContact CD1-CE2 3.72Å; L331-Y336 HydrophobicContact CD2-CE2 4.1Å; L331-Y336 HydrophobicContact CG-CE2 4.17Å; S333-Y336 PolarHBondContact O-N 3.03Å; Y336-K347 WeakPolarHBondContact CD1-O 3.04Å; Y336-K347 PolarHBondContact O-N 3.43Å; Y336-M348 HydrophobicContact CD1-CG 3.96Å; Y336-M348 HydrophobicContact CG-CG 4.15Å
337	L	96.5	Very high	95.8	Very high	22 Å²	22	53.6 Å²	53.6	12%	0.115	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112.7	-176.4	-166	67.9	0	0	0	112.1	V231 I237 S333 Y344 L346 Y425	V231-L337 HydrophobicContact CG1-CD1 4.5Å; V231-L337 HydrophobicContact CG1-CD2 4.3Å; I237-L337 HydrophobicContact CD1-CB 4.5Å; S333-L337 WeakPolarHBondContact O-CA 3.32Å; S333-L337 WeakPolarHBondContact O-CB 3.23Å; S333-L337 PolarHBondContact O-N 2.73Å; L337-Y344 HydrophobicContact CD2-CD1 4.13Å; L337-Y344 HydrophobicContact CG-CD1 4.25Å; L337-L346 HydrophobicContact CD1-CB 4.02Å; L337-L346 HydrophobicContact CD1-CD1 4.19Å; L337-Y425 HydrophobicContact CD1-CE1 4.32Å; L337-Y425 WeakPolarHBondContact CD1-OH 3.37Å
338	Y	96.1	Very high	95.7	Very high	127 Å²	127	53.8 Å²	53.8	50%	0.498	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	143.5	178.5	-56	-90	0	0	0	110.5	Y344 A345 K347	Y338-Y344 CarbonylContact O-C 3.57Å; Y338-Y344 VanDerWaalsContact O-CA 3.3Å; Y338-Y344 WeakPolarHBondContact O-CA 3.41Å; Y338-A345 PolarHBondContact N-O 3.5Å; Y338-A345 PolarHBondContact O-N 2.9Å; Y338-K347 HydrophobicContact CE2-CB 4.03Å
339	T	94.3	Very high	95.6	Very high	80 Å²	80	58.5 Å²	58.5	49%	0.491	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.6	-175.8	163.8	0	0	0	0	111.3	Q343	T339-Q343 WeakPolarHBondContact CA-O 3.35Å
340	L	94.4	Very high	95.5	Very high	135 Å²	135	58.7 Å²	58.7	71%	0.707	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	101.3	169.5	-177.4	65.7	0	0	0	109.1	E342 Q343	L340-E342 PolarHBondContact O-N 3.07Å; L340-Q343 PolarHBondContact N-O 2.81Å; L340-Q343 WeakPolarHBondContact O-CB 3.16Å; L340-Q343 PolarHBondContact O-N 3.34Å
341	G	91.7	Very high	95.4	Very high	57 Å²	57	56.9 Å²	56.9	59%	0.588	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	-114.8	-174.1	0	0	0	0	0	112.3
342	E	90.8	Very high	95.3	Very high	97 Å²	97	56.8 Å²	56.8	45%	0.453	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	0.4	173.7	-63.1	-167.4	162.1	0	0	113.2	L340 Y344 T426 F427	L340-E342 PolarHBondContact O-N 3.07Å; E342-Y344 WeakPolarHBondContact O-CD2 3.34Å; E342-T426 VanDerWaalsContact O-CA 3.31Å; E342-T426 WeakPolarHBondContact O-CA 3.14Å; E342-F427 PolarHBondContact O-N 3.21Å
343	Q	93.3	Very high	95.4	Very high	121 Å²	121	56.7 Å²	56.7	57%	0.565	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	133.1	177.2	-63.8	-178.2	-11.3	0	0	110	T339 L340 T426	T339-Q343 WeakPolarHBondContact CA-O 3.35Å; L340-Q343 PolarHBondContact N-O 2.81Å; L340-Q343 WeakPolarHBondContact O-CB 3.16Å; L340-Q343 PolarHBondContact O-N 3.34Å; Q343-T426 HydrophobicContact CG-CG2 4.19Å
344	Y	95.1	Very high	95.4	Very high	16 Å²	16	55.7 Å²	55.7	6%	0.063	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.6	178.3	-68.4	-97.8	0	0	0	109.5	H233 L337 Y338 E342 H424 Y425 F427 K429	H233-Y344 AromaticContact CD2-CE1 3.57Å; H233-Y344 AromaticContact CD2-CZ 3.71Å; H233-Y344 AromaticContact NE2-CD1 3.62Å; H233-Y344 AromaticContact NE2-CE1 3.6Å; H233-Y344 AromaticContact NE2-CG 3.91Å; H233-Y344 AromaticContact NE2-CZ 3.89Å; L337-Y344 HydrophobicContact CD2-CD1 4.13Å; L337-Y344 HydrophobicContact CG-CD1 4.25Å; Y338-Y344 CarbonylContact O-C 3.57Å; Y338-Y344 VanDerWaalsContact O-CA 3.3Å; Y338-Y344 WeakPolarHBondContact O-CA 3.41Å; E342-Y344 WeakPolarHBondContact O-CD2 3.34Å; Y344-H424 WeakPolarHBondContact O-CA 3.32Å; Y344-Y425 WeakPolarHBondContact CB-OH 3.46Å; Y344-Y425 HydrophobicContact CD2-CE2 4.15Å; Y344-Y425 AromaticContact CG-CE2 3.92Å; Y344-Y425 HydrophobicContact CG-CE2 3.92Å; Y344-Y425 AromaticContact CG-CZ 3.98Å; Y344-Y425 PolarHBondContact N-O 3.24Å; Y344-Y425 PolarHBondContact O-N 3.23Å; Y344-F427 HydrophobicContact CD2-CB 3.87Å; Y344-F427 HydrophobicContact CE2-CB 3.77Å; Y344-F427 HydrophobicContact CE2-CD1 4.01Å; Y344-F427 HydrophobicContact CE2-CG 4.41Å; Y344-K429 WeakPolarHBondContact OH-CE 3.49Å; Y344-K429 WeakPolarHBondContact OH-CG 3.39Å
345	A	96.3	Very high	95.5	Very high	16 Å²	16	48.1 Å²	48.1	13%	0.132	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	116.8	173.1	0	0	0	0	0	109.1	Y338 V422 V423	Y338-A345 PolarHBondContact N-O 3.5Å; Y338-A345 PolarHBondContact O-N 2.9Å; A345-V422 HydrophobicContact CB-CG1 4.19Å; A345-V423 CarbonylContact C-O 3.58Å; A345-V423 WeakPolarHBondContact CA-O 3.49Å
346	L	97	Very high	95.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.5	172.5	176.2	73.4	0	0	0	108.3	I229 V231 I237 L337 M348 I367 F421 V422 V423	I229-L346 HydrophobicContact CG2-CD2 4.49Å; V231-L346 HydrophobicContact CG2-CD1 4.25Å; V231-L346 HydrophobicContact CG2-CD2 3.76Å; I237-L346 HydrophobicContact CD1-CD1 3.71Å; L337-L346 HydrophobicContact CD1-CB 4.02Å; L337-L346 HydrophobicContact CD1-CD1 4.19Å; L346-M348 HydrophobicContact CD1-CG 3.91Å; L346-M348 HydrophobicContact CD1-SD 3.81Å; L346-M348 HydrophobicContact CD2-SD 4.33Å; L346-M348 HydrophobicContact CG-CG 4.13Å; L346-M348 HydrophobicContact CG-SD 4.27Å; L346-I367 HydrophobicContact CD2-CG2 4Å; L346-F421 HydrophobicContact CD2-CE2 4.36Å; L346-F421 HydrophobicContact CD2-CZ 4.48Å; L346-V422 CarbonylContact O-C 3.5Å; L346-V422 VanDerWaalsContact O-CA 3.25Å; L346-V422 WeakPolarHBondContact O-CA 3.35Å; L346-V423 HydrophobicContact CB-CB 4.4Å; L346-V423 PolarHBondContact N-O 2.94Å; L346-V423 PolarHBondContact O-N 3.27Å
347	K	97.4	Very high	95.5	Very high	87 Å²	87	49.4 Å²	49.4	38%	0.378	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.2	173.8	-179.8	179.9	175.5	-169	0	109.5	Y336 Y338 D420 F421 V422	Y336-K347 WeakPolarHBondContact CD1-O 3.04Å; Y336-K347 PolarHBondContact O-N 3.43Å; Y338-K347 HydrophobicContact CE2-CB 4.03Å; K347-D420 WeakPolarHBondContact CE-OD2 3.11Å; K347-D420 HydrophobicContact CG-CB 4.12Å; K347-D420 IonicContact NZ-OD2 3.92Å; K347-D420 PolarHBondContact NZ-OD2 3.45Å; K347-F421 WeakPolarHBondContact CA-O 3.47Å; K347-V422 HydrophobicContact CB-CG2 4.2Å; K347-V422 HydrophobicContact CD-CG2 4.45Å; K347-V422 HydrophobicContact CG-CG2 4.03Å
348	M	96.8	Very high	95.5	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.025	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	162.6	-179.6	-66.6	-171.7	79.3	0	0	111.5	I229 I237 V239 L331 Y336 L346 L350 D420 F421	I229-M348 HydrophobicContact CD1-SD 4.38Å; I229-M348 HydrophobicContact CG2-CE 4.42Å; I229-M348 HydrophobicContact CG2-SD 3.66Å; I237-M348 HydrophobicContact CG2-CE 4.16Å; I237-M348 HydrophobicContact CG2-SD 3.9Å; V239-M348 HydrophobicContact CG2-CE 3.83Å; L331-M348 HydrophobicContact CD1-CE 3.52Å; Y336-M348 HydrophobicContact CD1-CG 3.96Å; Y336-M348 HydrophobicContact CG-CG 4.15Å; L346-M348 HydrophobicContact CD1-CG 3.91Å; L346-M348 HydrophobicContact CD1-SD 3.81Å; L346-M348 HydrophobicContact CD2-SD 4.33Å; L346-M348 HydrophobicContact CG-CG 4.13Å; L346-M348 HydrophobicContact CG-SD 4.27Å; M348-L350 PolarHBondContact O-N 3.3Å; M348-D420 CarbonylContact O-C 3.58Å; M348-D420 VanDerWaalsContact O-CA 3.27Å; M348-D420 WeakPolarHBondContact O-CA 3.3Å; M348-F421 HydrophobicContact CB-CE1 3.85Å; M348-F421 HydrophobicContact CB-CZ 3.98Å; M348-F421 PolarHBondContact N-O 3.05Å; M348-F421 VanDerWaalsContact N-O 3.13Å; M348-F421 WeakPolarHBondContact O-CD1 3.44Å; M348-F421 VanDerWaalsContact O-CE1 3.31Å; M348-F421 WeakPolarHBondContact O-CE1 3.31Å; M348-F421 PolarHBondContact O-N 3.05Å
349	R	96.6	Very high	95.6	Very high	99 Å²	99	42.4 Å²	42.4	37%	0.374	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	130.5	172.2	-67.5	176.3	178	173.2	0.1	111.3	D352 I418 D420	R349-D352 VanDerWaalsContact CD-OD1 3.23Å; R349-D352 WeakPolarHBondContact CD-OD1 3.19Å; R349-D352 IonicContact CZ-OD1 3.12Å; R349-D352 IonicContact NE-OD1 3.85Å; R349-D352 IonicContact NH1-OD1 3.03Å; R349-D352 PolarHBondContact NH1-OD1 2.89Å; R349-I418 HydrophobicContact CG-CG2 4.34Å; R349-D420 WeakPolarHBondContact CG-OD1 3.14Å; R349-D420 PolarHBondContact N-OD1 2.92Å
350	L	95.4	Very high	95.8	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	20%	0.201	C	C	.	.	S	Bend	trans	-69.7	-46.1	-179.9	-170.2	77	0	0	0	111.8	R227 M348 M363 V365 Y384 I386 Q419 F421	R227-L350 WeakPolarHBondContact CD-O 3.4Å; M348-L350 PolarHBondContact O-N 3.3Å; L350-M363 HydrophobicContact CD2-CE 3.94Å; L350-M363 HydrophobicContact CG-CE 4.02Å; L350-V365 HydrophobicContact CD1-CG1 4.45Å; L350-V365 HydrophobicContact CD1-CG2 4.24Å; L350-V365 HydrophobicContact CG-CG2 4.31Å; L350-Y384 HydrophobicContact CD2-CE2 3.59Å; L350-Y384 WeakPolarHBondContact CD2-OH 3.41Å; L350-I386 HydrophobicContact CD2-CG2 3.83Å; L350-Q419 PolarHBondContact N-O 2.84Å; L350-F421 HydrophobicContact CB-CD1 3.84Å; L350-F421 HydrophobicContact CD1-CB 4.12Å; L350-F421 HydrophobicContact CD1-CD1 3.63Å; L350-F421 HydrophobicContact CD1-CE1 4.28Å; L350-F421 HydrophobicContact CD1-CG 3.95Å; L350-F421 HydrophobicContact CG-CD1 4.35Å
351	V	95.9	Very high	96	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.181	C	C	.	.	S	Bend	trans	-124.1	145.7	168.6	64.6	0	0	0	0	106.9	I360 M363 H417 I418	V351-I360 HydrophobicContact CG2-CD1 3.46Å; V351-I360 VanDerWaalsContact CG2-CD1 3.46Å; V351-M363 HydrophobicContact CB-CE 4.39Å; V351-M363 HydrophobicContact CB-SD 3.69Å; V351-M363 HydrophobicContact CG2-SD 3.88Å; V351-H417 HydrophobicContact CG1-CB 4.12Å; V351-H417 VanDerWaalsContact CG1-O 3.29Å; V351-H417 WeakPolarHBondContact CG1-O 3.33Å; V351-I418 HydrophobicContact CG1-CG1 4.11Å
352	D	95.6	Very high	96.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.011	17%	0.171	C	C	.	.			trans	-120.9	175.2	-177.8	-145.6	-8.9	0	0	0	110.1	R227 Y329 R349 V354 Q358	R227-D352 IonicContact CZ-OD2 3.72Å; R227-D352 IonicContact NH1-OD2 3.97Å; R227-D352 IonicContact NH2-OD2 2.88Å; R227-D352 PolarHBondContact NH2-OD2 2.89Å; R227-D352 VanDerWaalsContact NH2-OD2 3.08Å; Y329-D352 PolarHBondContact OH-OD2 3Å; R349-D352 VanDerWaalsContact CD-OD1 3.23Å; R349-D352 WeakPolarHBondContact CD-OD1 3.19Å; R349-D352 IonicContact CZ-OD1 3.12Å; R349-D352 IonicContact NE-OD1 3.85Å; R349-D352 IonicContact NH1-OD1 3.03Å; R349-D352 PolarHBondContact NH1-OD1 2.89Å; D352-V354 PolarHBondContact O-N 2.89Å; D352-Q358 PolarHBondContact O-NE2 3.42Å; D352-Q358 PolarHBondContact O-OE1 3.45Å
353	H	97.8	Very high	96.7	Very high	15 Å²	15	32.2 Å²	32.2	7%	0.069	15%	0.15	C	C	.	.			trans	-78.6	116.9	-176	179.1	-72.4	0	0	0	111.7	K276 T277 I278 Y355 D356 I418	K276-H353 PolarHBondContact O-CE1 3.49Å; T277-H353 VanDerWaalsContact CG2-O 3.25Å; T277-H353 WeakPolarHBondContact CG2-O 3.44Å; I278-H353 HydrophobicContact CB-CB 4.18Å; I278-H353 PolarHBondContact N-ND1 3.08Å; H353-Y355 VanDerWaalsContact CE1-C 3.49Å; H353-Y355 VanDerWaalsContact CE1-CA 3.48Å; H353-Y355 WeakPolarHBondContact CE1-CA 3.47Å; H353-D356 IonicContact CE1-OD1 2.8Å; H353-D356 PolarHBondContact NE2-N 3.28Å; H353-D356 IonicContact NE2-OD1 2.7Å; H353-D356 PolarHBondContact NE2-OD1 2.98Å; H353-I418 HydrophobicContact CB-CD1 4.13Å
354	V	97.2	Very high	96.9	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	13%	0.128	C	C	.	.	S	Bend	trans	-97.6	-48.8	174	-172.9	0	0	0	0	111.4	I222 I225 I243 K276 T277 Y325 D352	I222-V354 HydrophobicContact CD1-CB 3.84Å; I222-V354 HydrophobicContact CD1-CG1 3.89Å; I222-V354 HydrophobicContact CD1-CG2 3.88Å; I225-V354 HydrophobicContact CD1-CG2 4.1Å; I243-V354 HydrophobicContact CD1-CG1 3.95Å; I243-V354 HydrophobicContact CD1-CG2 4.26Å; K276-V354 VanDerWaalsContact O-O 3.05Å; T277-V354 VanDerWaalsContact CA-O 3.3Å; T277-V354 WeakPolarHBondContact CA-O 3.33Å; T277-V354 WeakPolarHBondContact CB-O 3.41Å; T277-V354 PolarHBondContact OG1-O 2.82Å; Y325-V354 WeakPolarHBondContact OH-CG1 3.49Å; D352-V354 PolarHBondContact O-N 2.89Å
355	Y	96.8	Very high	97	Very high	10 Å²	10	26.6 Å²	26.6	4%	0.039	13%	0.126	C	C	.	.	S	Bend	trans	-156.4	158.7	173.9	66.7	-87.7	0	0	0	111	H41 L220 I222 L245 K276 H353 D357 Q358 V359	H41-Y355 AromaticContact NE2-CE2 3.8Å; L220-Y355 VanDerWaalsContact C-OH 3.29Å; L220-Y355 HydrophobicContact CB-CE1 4.18Å; L220-Y355 HydrophobicContact CB-CE2 3.87Å; L220-Y355 HydrophobicContact CD1-CD2 4.36Å; L220-Y355 HydrophobicContact CD1-CE2 4.43Å; L220-Y355 HydrophobicContact CD1-CG 4.44Å; L220-Y355 PolarHBondContact O-OH 3.23Å; I222-Y355 HydrophobicContact CD1-CD1 4.27Å; I222-Y355 HydrophobicContact CD1-CE1 3.76Å; I222-Y355 HydrophobicContact CG1-CE1 3.89Å; L245-Y355 HydrophobicContact CD1-CE1 3.99Å; K276-Y355 WeakPolarHBondContact O-CA 3.41Å; H353-Y355 VanDerWaalsContact CE1-C 3.49Å; H353-Y355 VanDerWaalsContact CE1-CA 3.48Å; H353-Y355 WeakPolarHBondContact CE1-CA 3.47Å; Y355-D357 PolarHBondContact O-N 3.17Å; Y355-Q358 HydrophobicContact CD1-CB 4.14Å; Y355-Q358 HydrophobicContact CD2-CB 4.42Å; Y355-Q358 HydrophobicContact CE1-CB 3.89Å; Y355-Q358 HydrophobicContact CE2-CB 4.18Å; Y355-Q358 HydrophobicContact CG-CB 4.38Å; Y355-Q358 VanDerWaalsContact O-CB 3.31Å; Y355-Q358 WeakPolarHBondContact O-CB 3.39Å; Y355-Q358 PolarHBondContact O-N 2.82Å; Y355-V359 PolarHBondContact OH-N 3.24Å
356	D	96	Very high	97.1	Very high	105 Å²	105	29.1 Å²	29.1	56%	0.561	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	136.7	179.3	-55.9	-4.7	0	0	0	111.6	H353 Q358	H353-D356 IonicContact CE1-OD1 2.8Å; H353-D356 PolarHBondContact NE2-N 3.28Å; H353-D356 IonicContact NE2-OD1 2.7Å; H353-D356 PolarHBondContact NE2-OD1 2.98Å; D356-Q358 VanDerWaalsContact C-N 3.25Å; D356-Q358 PolarHBondContact O-N 3.2Å
357	D	95.1	Very high	97.1	Very high	37 Å²	37	29.5 Å²	29.5	20%	0.198	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	30.1	-177.9	-61.4	-70.2	0	0	0	114.3	T40 H41 L42 K44 Y355 E415	T40-D357 VanDerWaalsContact CG2-OD2 3.27Å; T40-D357 WeakPolarHBondContact CG2-OD2 3.42Å; H41-D357 PolarHBondContact CE1-O 3.48Å; H41-D357 PolarHBondContact NE2-O 2.98Å; L42-D357 HydrophobicContact CD1-CB 4.41Å; K44-D357 VanDerWaalsContact CE-OD1 3.27Å; K44-D357 WeakPolarHBondContact CE-OD1 3.43Å; K44-D357 IonicContact NZ-OD1 2.72Å; K44-D357 PolarHBondContact NZ-OD1 2.83Å; Y355-D357 PolarHBondContact O-N 3.17Å; D357-E415 PolarHBondContact N-OE2 2.94Å
358	Q	96.9	Very high	97.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.119	C	C	.	.			trans	-54.5	145.3	-176.4	66	-174.8	29.4	0	0	114.7	D352 Y355 D356 V414	D352-Q358 PolarHBondContact O-NE2 3.42Å; D352-Q358 PolarHBondContact O-OE1 3.45Å; Y355-Q358 HydrophobicContact CD1-CB 4.14Å; Y355-Q358 HydrophobicContact CD2-CB 4.42Å; Y355-Q358 HydrophobicContact CE1-CB 3.89Å; Y355-Q358 HydrophobicContact CE2-CB 4.18Å; Y355-Q358 HydrophobicContact CG-CB 4.38Å; Y355-Q358 VanDerWaalsContact O-CB 3.31Å; Y355-Q358 WeakPolarHBondContact O-CB 3.39Å; Y355-Q358 PolarHBondContact O-N 2.82Å; D356-Q358 VanDerWaalsContact C-N 3.25Å; D356-Q358 PolarHBondContact O-N 3.2Å; Q358-V414 WeakPolarHBondContact O-CA 3.43Å
359	V	97.8	Very high	97.1	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.8	167.5	61.4	0	0	0	0	109.6	L42 L220 T221 I222 Y355 L413	L42-V359 HydrophobicContact CD2-CB 4.29Å; L220-V359 WeakPolarHBondContact O-CG1 3.35Å; T221-V359 HydrophobicContact CG2-CG1 4.03Å; I222-V359 WeakPolarHBondContact CB-O 3.26Å; I222-V359 PolarHBondContact N-O 3.34Å; Y355-V359 PolarHBondContact OH-N 3.24Å; V359-L413 WeakPolarHBondContact CA-O 3.35Å
360	I	98.3	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.1	178.9	-60.9	159	0	0	0	108.4	I222 I225 V351 M363 N412 L413	I222-I360 HydrophobicContact CB-CB 4.39Å; I222-I360 HydrophobicContact CB-CG1 3.91Å; I222-I360 HydrophobicContact CD1-CD1 4.41Å; I222-I360 HydrophobicContact CD1-CG1 3.72Å; I222-I360 HydrophobicContact CG1-CG1 4.39Å; I222-I360 HydrophobicContact CG2-CG1 4.17Å; I222-I360 HydrophobicContact CG2-CG2 4.28Å; I222-I360 WeakPolarHBondContact O-CA 3.39Å; I225-I360 HydrophobicContact CG2-CD1 4.26Å; I225-I360 HydrophobicContact CG2-CG1 4.4Å; I225-I360 HydrophobicContact CG2-CG2 3.53Å; V351-I360 HydrophobicContact CG2-CD1 3.46Å; V351-I360 VanDerWaalsContact CG2-CD1 3.46Å; I360-M363 HydrophobicContact CG2-CB 4.07Å; I360-N412 CarbonylContact O-C 3.59Å; I360-N412 VanDerWaalsContact O-CA 3.24Å; I360-N412 WeakPolarHBondContact O-CA 3.31Å; I360-N412 PolarHBondContact O-N 2.87Å; I360-L413 HydrophobicContact CB-CB 4.13Å; I360-L413 HydrophobicContact CD1-CB 4.41Å; I360-L413 PolarHBondContact N-O 2.96Å; I360-L413 PolarHBondContact O-N 3.06Å
361	D	98.2	Very high	96.7	Very high	55 Å²	55	21.3 Å²	21.3	29%	0.294	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-44.1	179.2	-70.5	-15	0	0	0	110.9	H132 T221 I222 N411 N412	H132-D361 IonicContact CD2-OD1 2.66Å; H132-D361 IonicContact CE1-OD1 3.37Å; H132-D361 IonicContact NE2-OD1 3.42Å; H132-D361 PolarHBondContact NE2-OD1 3.5Å; H132-D361 IonicContact NE2-OD2 3.5Å; T221-D361 VanDerWaalsContact CG2-OD2 3.31Å; T221-D361 WeakPolarHBondContact CG2-OD2 3.36Å; I222-D361 PolarHBondContact O-N 2.98Å; D361-N411 VanDerWaalsContact O-CA 3.23Å; D361-N411 WeakPolarHBondContact O-CA 3.5Å; D361-N411 WeakPolarHBondContact O-CB 3.49Å; D361-N412 PolarHBondContact O-N 2.85Å
362	Y	98.3	Very high	96.3	Very high	95 Å²	95	22.7 Å²	22.7	37%	0.373	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	123.4	-176.9	-172.1	-97.9	0	0	0	111.7	S224 I225 T364 T409 N411	S224-Y362 CarbonylContact C-O 3.54Å; S224-Y362 VanDerWaalsContact CA-O 3.31Å; S224-Y362 WeakPolarHBondContact CA-O 3.44Å; I225-Y362 PolarHBondContact N-O 3.42Å; Y362-T364 WeakPolarHBondContact CE1-OG1 3.35Å; Y362-T409 VanDerWaalsContact OH-CG2 3.3Å; Y362-T409 WeakPolarHBondContact OH-CG2 3.45Å; Y362-N411 WeakPolarHBondContact CD2-OD1 3.42Å
363	M	98.1	Very high	96	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.02	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.5	175	177.5	176.4	78.9	0	0	110.7	I225 L350 V351 I360 V365 T409 K410 L413	I225-M363 HydrophobicContact CG2-CB 3.85Å; I225-M363 HydrophobicContact CG2-CG 3.88Å; I225-M363 WeakPolarHBondContact O-CA 3.41Å; L350-M363 HydrophobicContact CD2-CE 3.94Å; L350-M363 HydrophobicContact CG-CE 4.02Å; V351-M363 HydrophobicContact CB-CE 4.39Å; V351-M363 HydrophobicContact CB-SD 3.69Å; V351-M363 HydrophobicContact CG2-SD 3.88Å; I360-M363 HydrophobicContact CG2-CB 4.07Å; M363-V365 HydrophobicContact CE-CG2 3.62Å; M363-V365 HydrophobicContact CG-CG2 3.95Å; M363-V365 HydrophobicContact SD-CG2 3.77Å; M363-T409 VanDerWaalsContact O-CA 3.24Å; M363-T409 WeakPolarHBondContact O-CA 3.04Å; M363-K410 HydrophobicContact CE-CB 4.44Å; M363-K410 PolarHBondContact N-O 2.83Å; M363-K410 PolarHBondContact O-N 2.89Å; M363-L413 HydrophobicContact CB-CD1 3.59Å; M363-L413 HydrophobicContact CE-CD1 3.4Å; M363-L413 VanDerWaalsContact CE-CD1 3.4Å; M363-L413 HydrophobicContact CG-CD1 4.18Å; M363-L413 HydrophobicContact SD-CD1 3.53Å; M363-L413 VanDerWaalsContact SD-CD1 3.53Å
364	T	98.3	Very high	95.3	Very high	16 Å²	16	27.6 Å²	27.6	10%	0.098	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.4	164.2	-58.3	0	0	0	0	109.5	I225 T226 R227 Y362 K366 V407 A408 T409	I225-T364 PolarHBondContact O-N 2.88Å; T226-T364 CarbonylContact C-O 3.51Å; T226-T364 WeakPolarHBondContact CA-O 3.14Å; R227-T364 PolarHBondContact N-O 3.22Å; Y362-T364 WeakPolarHBondContact CE1-OG1 3.35Å; T364-K366 HydrophobicContact CG2-CG 4.21Å; T364-V407 HydrophobicContact CG2-CG1 3.96Å; T364-A408 WeakPolarHBondContact CA-O 3.46Å; T364-T409 HydrophobicContact CG2-CG2 4.21Å
365	V	97.9	Very high	93.9	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.5	173.3	-177.9	0	0	0	0	108.6	R227 L350 M363 I367 V407 A408	R227-V365 CarbonylContact O-C 3.6Å; R227-V365 WeakPolarHBondContact O-CA 3.37Å; L350-V365 HydrophobicContact CD1-CG1 4.45Å; L350-V365 HydrophobicContact CD1-CG2 4.24Å; L350-V365 HydrophobicContact CG-CG2 4.31Å; M363-V365 HydrophobicContact CE-CG2 3.62Å; M363-V365 HydrophobicContact CG-CG2 3.95Å; M363-V365 HydrophobicContact SD-CG2 3.77Å; V365-I367 HydrophobicContact CG1-CD1 4.4Å; V365-I367 HydrophobicContact CG1-CG1 4.02Å; V365-V407 WeakPolarHBondContact O-CA 3.38Å; V365-A408 PolarHBondContact N-O 2.81Å; V365-A408 PolarHBondContact O-N 2.84Å
366	K	98	Very high	92.3	Very high	69 Å²	69	42.8 Å²	42.8	30%	0.3	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.1	175.9	-62.1	-176.1	-178.1	175.5	0	109.2	T226 R227 T228 I229 T364 V405 L406 V407	T226-K366 HydrophobicContact CG2-CD 4.27Å; R227-K366 PolarHBondContact O-N 2.86Å; T228-K366 CarbonylContact C-O 3.56Å; T228-K366 WeakPolarHBondContact CA-O 3.25Å; T228-K366 HydrophobicContact CG2-CB 4.43Å; I229-K366 PolarHBondContact N-O 2.86Å; T364-K366 HydrophobicContact CG2-CG 4.21Å; K366-V405 HydrophobicContact CB-CG1 4.03Å; K366-L406 CarbonylContact C-O 3.58Å; K366-L406 WeakPolarHBondContact CA-O 3.34Å; K366-V407 HydrophobicContact CG-CG2 4.31Å
367	I	97.4	Very high	91.1	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.041	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	106.5	178.9	-52.8	164	0	0	0	107.4	I229 L346 V365 L369 V405 L406 F421 V423	I229-I367 CarbonylContact O-C 3.52Å; I229-I367 WeakPolarHBondContact O-CA 3.19Å; L346-I367 HydrophobicContact CD2-CG2 4Å; V365-I367 HydrophobicContact CG1-CD1 4.4Å; V365-I367 HydrophobicContact CG1-CG1 4.02Å; I367-L369 HydrophobicContact CG2-CD2 4.04Å; I367-L369 HydrophobicContact CG2-CG 4.49Å; I367-V405 WeakPolarHBondContact O-CA 3.27Å; I367-L406 HydrophobicContact CB-CB 4.21Å; I367-L406 HydrophobicContact CB-CD1 4.49Å; I367-L406 PolarHBondContact N-O 2.9Å; I367-L406 PolarHBondContact O-N 3.44Å; I367-F421 HydrophobicContact CD1-CD2 4.09Å; I367-F421 HydrophobicContact CD1-CE2 3.35Å; I367-F421 HydrophobicContact CD1-CZ 3.65Å; I367-F421 HydrophobicContact CG1-CE2 4.33Å; I367-F421 HydrophobicContact CG1-CZ 4.21Å; I367-V423 HydrophobicContact CD1-CG2 3.82Å
368	I	97.1	Very high	90.4	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	108.6	179.1	-51.9	174.8	0	0	0	107.4	T228 I229 E230 V231 H394 R403 V405	T228-I368 HydrophobicContact CG2-CD1 3.59Å; T228-I368 HydrophobicContact CG2-CG1 4.19Å; I229-I368 PolarHBondContact O-N 3.46Å; E230-I368 HydrophobicContact CB-CB 4.26Å; E230-I368 HydrophobicContact CB-CD1 4.4Å; E230-I368 HydrophobicContact CG-CB 4.21Å; E230-I368 HydrophobicContact CG-CG2 4.23Å; V231-I368 PolarHBondContact N-O 2.97Å; I368-H394 HydrophobicContact CD1-CB 4.44Å; I368-H394 HydrophobicContact CG2-CB 4.2Å; I368-R403 HydrophobicContact CG2-CB 3.8Å; I368-V405 HydrophobicContact CG1-CG1 4.11Å; I368-V405 HydrophobicContact CG1-CG2 4.03Å; I368-V405 HydrophobicContact CG2-CG2 4.44Å
369	L	95.9	Very high	90	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-87.9	158.5	176.7	-64.8	-179.2	0	0	0	110.2	V231 I367 A373 I378 R403 P404 L406 V423 Y425	V231-L369 HydrophobicContact CG2-CD2 4.42Å; I367-L369 HydrophobicContact CG2-CD2 4.04Å; I367-L369 HydrophobicContact CG2-CG 4.49Å; L369-A373 HydrophobicContact CB-CB 4.07Å; L369-A373 HydrophobicContact CD1-CB 4.46Å; L369-I378 HydrophobicContact CD1-CD1 3.66Å; L369-I378 HydrophobicContact CD1-CG1 4.25Å; L369-R403 VanDerWaalsContact O-CB 3.31Å; L369-R403 WeakPolarHBondContact O-CB 3.35Å; L369-P404 HydrophobicContact CB-CG 4.15Å; L369-P404 PolarHBondContact N-O 3.19Å; L369-L406 HydrophobicContact CD1-CD1 4.16Å; L369-V423 HydrophobicContact CD1-CG1 4.37Å; L369-V423 HydrophobicContact CD2-CG1 4.46Å; L369-Y425 HydrophobicContact CD1-CD1 4.24Å; L369-Y425 HydrophobicContact CD1-CG 4.19Å; L369-Y425 HydrophobicContact CD2-CD1 3.9Å; L369-Y425 HydrophobicContact CD2-CE1 3.83Å; L369-Y425 HydrophobicContact CD2-CG 4.48Å
370	P	93.7	Very high	89.7	Confident	6 Å²	6	48.2 Å²	48.2	4%	0.039	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-60.5	155.7	178.6	32.1	-44.4	0	0	0	112.6	H233 G372 A373 Y425 F427	H233-P370 WeakPolarHBondContact CE1-CG 3.34Å; P370-G372 PolarHBondContact O-N 2.77Å; P370-A373 HydrophobicContact CG-CB 4.31Å; P370-A373 WeakPolarHBondContact O-CB 3.36Å; P370-A373 PolarHBondContact O-N 2.77Å; P370-Y425 HydrophobicContact CG-CE2 4.24Å; P370-F427 HydrophobicContact CB-CE2 4.39Å; P370-F427 HydrophobicContact CG-CD2 4.1Å; P370-F427 HydrophobicContact CG-CE2 4.41Å; P370-F427 HydrophobicContact CG-CG 4.48Å
371	E	90.7	Very high	89.5	Confident	12 Å²	12	51.4 Å²	51.4	6%	0.056	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	135.6	172.2	-175.7	172	-160.9	0	0	110	D399 T400 F401 R403 F427	E371-D399 WeakPolarHBondContact OE2-CA 3.47Å; E371-T400 PolarHBondContact OE1-N 3.02Å; E371-T400 PolarHBondContact OE1-OG1 3.05Å; E371-T400 PolarHBondContact OE2-N 3.05Å; E371-F401 WeakPolarHBondContact OE1-CD2 3.48Å; E371-F401 PolarHBondContact OE1-N 3.39Å; E371-R403 HydrophobicContact CB-CG 4.21Å; E371-F427 VanDerWaalsContact O-CE2 3.23Å; E371-F427 WeakPolarHBondContact O-CE2 3.23Å
372	G	86.9	Confident	89.3	Confident	31 Å²	31	51.4 Å²	51.4	32%	0.32	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-0.9	-177.3	0	0	0	0	0	115.3	P370 K374	P370-G372 PolarHBondContact O-N 2.77Å; G372-K374 PolarHBondContact O-N 2.78Å
373	A	89.7	Confident	89	Confident	6 Å²	6	49.1 Å²	49.1	5%	0.05	25%	0.245	C	C	.	.			trans	-60.8	121.8	165.5	0	0	0	0	0	110.3	L369 P370 I375 P404 Y425	L369-A373 HydrophobicContact CB-CB 4.07Å; L369-A373 HydrophobicContact CD1-CB 4.46Å; P370-A373 HydrophobicContact CG-CB 4.31Å; P370-A373 WeakPolarHBondContact O-CB 3.36Å; P370-A373 PolarHBondContact O-N 2.77Å; A373-I375 PolarHBondContact O-N 3.41Å; A373-P404 HydrophobicContact CB-CG 3.98Å; A373-Y425 HydrophobicContact CB-CD2 4.1Å
374	K	82.1	Confident	88.7	Confident	114 Å²	114	50.7 Å²	50.7	50%	0.496	25%	0.251	S	S	.	.			trans	-73.6	104.3	-175.4	-64.5	179.7	-178.3	167.4	0	110.8	G372 R376 N377 T426	G372-K374 PolarHBondContact O-N 2.78Å; K374-R376 PolarHBondContact O-N 2.83Å; K374-R376 VanDerWaalsContact O-N 3.08Å; K374-N377 PolarHBondContact O-N 3.34Å; K374-T426 PolarHBondContact N-O 2.92Å
375	I	67.8	Low	88.3	Confident	86 Å²	86	58.2 Å²	58.2	44%	0.441	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-52.9	-34.6	-177.3	-59.8	170.8	0	0	0	113.4	A373 N377 I378 P404	A373-I375 PolarHBondContact O-N 3.41Å; I375-N377 PolarHBondContact O-N 2.78Å; I375-I378 HydrophobicContact CB-CD1 4.44Å; I375-I378 PolarHBondContact O-N 3.29Å; I375-P404 HydrophobicContact CD1-CB 3.98Å; I375-P404 HydrophobicContact CG1-CB 3.74Å; I375-P404 HydrophobicContact CG1-CG 4.24Å
376	R	63.3	Low	88.2	Confident	244 Å²	244	59.6 Å²	59.6	92%	0.921	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-66.7	-17.9	-178	-65.6	-172.7	-179.5	-163.1	0	114.3	K374	K374-R376 PolarHBondContact O-N 2.83Å; K374-R376 VanDerWaalsContact O-N 3.08Å
377	N	71.1	Confident	88	Confident	92 Å²	92	60.5 Å²	60.5	49%	0.492	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-114.2	20.9	-177.6	-64.4	-12.4	0	0	0	112.2	K374 I375 H379 T426	K374-N377 PolarHBondContact O-N 3.34Å; I375-N377 PolarHBondContact O-N 2.78Å; N377-H379 PolarHBondContact O-N 2.94Å; N377-T426 HydrophobicContact CB-CG2 4.36Å
378	I	80.4	Confident	87.8	Confident	17 Å²	17	66.9 Å²	66.9	9%	0.087	32%	0.321	C	S	.	.			trans	-85.7	111	177.4	-58.1	175.2	0	0	0	109.5	L369 I375 V380 L406 V423 H424	L369-I378 HydrophobicContact CD1-CD1 3.66Å; L369-I378 HydrophobicContact CD1-CG1 4.25Å; I375-I378 HydrophobicContact CB-CD1 4.44Å; I375-I378 PolarHBondContact O-N 3.29Å; I378-V380 HydrophobicContact CG2-CG2 4.16Å; I378-L406 HydrophobicContact CD1-CD2 4.04Å; I378-L406 HydrophobicContact CG2-CD1 3.57Å; I378-L406 HydrophobicContact CG2-CD2 3.82Å; I378-L406 HydrophobicContact CG2-CG 4.28Å; I378-V423 HydrophobicContact CG2-CG1 3.94Å; I378-H424 VanDerWaalsContact CA-O 3.31Å; I378-H424 WeakPolarHBondContact CA-O 3.49Å
379	H	88.4	Confident	87.7	Confident	111 Å²	111	70.3 Å²	70.3	51%	0.514	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.1	170.9	-167	61.4	0	0	0	109.5	N377 D381 V423 H424	N377-H379 PolarHBondContact O-N 2.94Å; H379-D381 IonicContact CD2-OD1 3.7Å; H379-D381 PolarHBondContact CD2-OD1 3.13Å; H379-D381 IonicContact CD2-OD2 3.51Å; H379-D381 PolarHBondContact CD2-OD2 2.82Å; H379-D381 IonicContact NE2-OD1 3.27Å; H379-D381 PolarHBondContact NE2-OD1 2.97Å; H379-D381 IonicContact NE2-OD2 2.61Å; H379-V423 WeakPolarHBondContact O-CA 3.34Å; H379-H424 HydrophobicContact CB-CB 4.22Å; H379-H424 PolarHBondContact N-O 2.81Å; H379-H424 PolarHBondContact O-N 3.36Å
380	V	91.5	Very high	87.5	Confident	37 Å²	37	75.4 Å²	75.4	22%	0.224	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	113	-179.6	-171.8	0	0	0	0	107.6	I378 T382 L406 V422 V423	I378-V380 HydrophobicContact CG2-CG2 4.16Å; V380-T382 HydrophobicContact CG1-CG2 3.84Å; V380-L406 HydrophobicContact CG2-CD1 3.91Å; V380-V422 CarbonylContact C-O 3.59Å; V380-V422 WeakPolarHBondContact CA-O 3.27Å; V380-V423 HydrophobicContact CG1-CG2 4.02Å; V380-V423 HydrophobicContact CG2-CG2 4.13Å
381	D	94.1	Very high	87.5	Confident	67 Å²	67	77.9 Å²	77.9	36%	0.358	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.8	174	-65.8	-52.8	0	0	0	108.8	H379 F421 V422 H424	H379-D381 IonicContact CD2-OD1 3.7Å; H379-D381 PolarHBondContact CD2-OD1 3.13Å; H379-D381 IonicContact CD2-OD2 3.51Å; H379-D381 PolarHBondContact CD2-OD2 2.82Å; H379-D381 IonicContact NE2-OD1 3.27Å; H379-D381 PolarHBondContact NE2-OD1 2.97Å; H379-D381 IonicContact NE2-OD2 2.61Å; D381-F421 WeakPolarHBondContact O-CA 3.38Å; D381-F421 WeakPolarHBondContact O-CB 3.34Å; D381-V422 HydrophobicContact CB-CB 4.25Å; D381-V422 PolarHBondContact N-O 3.17Å; D381-V422 PolarHBondContact O-N 2.89Å; D381-H424 IonicContact OD2-CD2 2.68Å; D381-H424 PolarHBondContact OD2-CD2 2.9Å; D381-H424 IonicContact OD2-NE2 2.98Å; D381-H424 PolarHBondContact OD2-NE2 3.46Å
382	T	94.1	Very high	87.6	Confident	55 Å²	55	81.9 Å²	81.9	34%	0.337	40%	0.403	S	S	.	.			trans	-120.1	136.2	-173	60	0	0	0	0	109.7	V380 Y384 I386	V380-T382 HydrophobicContact CG1-CG2 3.84Å; T382-Y384 PolarHBondContact O-N 2.98Å; T382-Y384 PolarHBondContact OG1-O 3.44Å; T382-I386 HydrophobicContact CG2-CD1 3.35Å; T382-I386 HydrophobicContact CG2-CG1 3.87Å
383	P	92	Very high	88	Confident	48 Å²	48	85 Å²	85	31%	0.312	41%	0.411	S	S	.	.	S	Bend	trans	-67.7	-25.5	-175.5	24.5	-31.9	0	0	0	113.2	Q419 D420	P383-Q419 HydrophobicContact CB-CB 3.74Å; P383-Q419 VanDerWaalsContact CB-OE1 3.29Å; P383-Q419 HydrophobicContact CG-CB 3.65Å; P383-D420 WeakPolarHBondContact CD-O 3.25Å; P383-D420 WeakPolarHBondContact CG-O 3.26Å
384	Y	91.2	Very high	88.2	Confident	36 Å²	36	87.8 Å²	87.8	14%	0.141	42%	0.424	C	S	.	.	S	Bend	trans	-146.3	167.3	177.4	43.8	-104.8	0	0	0	109.8	L350 T382 I386 K410 L413 H417 Q419	L350-Y384 HydrophobicContact CD2-CE2 3.59Å; L350-Y384 WeakPolarHBondContact CD2-OH 3.41Å; T382-Y384 PolarHBondContact O-N 2.98Å; T382-Y384 PolarHBondContact OG1-O 3.44Å; Y384-I386 HydrophobicContact CD2-CG2 3.84Å; Y384-I386 HydrophobicContact CE2-CG2 3.84Å; Y384-I386 PolarHBondContact O-N 2.95Å; Y384-K410 HydrophobicContact CD2-CD 3.79Å; Y384-K410 HydrophobicContact CE2-CD 3.63Å; Y384-L413 HydrophobicContact CE2-CD2 4.44Å; Y384-H417 HydrophobicContact CE1-CB 3.96Å; Y384-H417 AromaticContact CE1-CD2 3.91Å; Y384-H417 VanDerWaalsContact CE1-O 3.29Å; Y384-H417 WeakPolarHBondContact CE1-O 3.25Å; Y384-H417 AromaticContact CZ-CD2 3.98Å; Y384-H417 PolarHBondContact OH-O 3.46Å; Y384-Q419 HydrophobicContact CE1-CB 4.25Å; Y384-Q419 HydrophobicContact CE1-CG 4.48Å
385	K	91.6	Very high	88.9	Confident	174 Å²	174	89.3 Å²	89.3	76%	0.757	43%	0.427	S	S	*	.			trans	-61.5	124	180	-173.5	-178.2	176.7	-173.3	0	111.4	K410	K385-K410 WeakPolarHBondContact O-CD 3.5Å; K385-K410 PolarHBondContact O-NZ 2.81Å
386	I	94.1	Very high	90.1	Very high	32 Å²	32	87.4 Å²	87.4	16%	0.164	42%	0.42	C	S	.	.			trans	-126.3	153.5	173.4	69	178.6	0	0	0	110.3	L350 T382 Y384 A408 K410	L350-I386 HydrophobicContact CD2-CG2 3.83Å; T382-I386 HydrophobicContact CG2-CD1 3.35Å; T382-I386 HydrophobicContact CG2-CG1 3.87Å; Y384-I386 HydrophobicContact CD2-CG2 3.84Å; Y384-I386 HydrophobicContact CE2-CG2 3.84Å; Y384-I386 PolarHBondContact O-N 2.95Å; I386-A408 HydrophobicContact CD1-CB 3.59Å; I386-A408 HydrophobicContact CG1-CB 4.25Å; I386-K410 HydrophobicContact CG2-CD 3.88Å
387	D	95.3	Very high	91.3	Very high	88 Å²	88	85.6 Å²	85.6	47%	0.471	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114	179.4	-62.6	-44	0	0	0	109.7	A408 T409	D387-A408 CarbonylContact O-C 3.51Å; D387-A408 WeakPolarHBondContact O-CA 2.98Å; D387-T409 PolarHBondContact N-O 3.37Å; D387-T409 PolarHBondContact O-N 3.42Å; D387-T409 PolarHBondContact O-OG1 2.69Å
388	R	93.2	Very high	92.3	Very high	142 Å²	142	84.8 Å²	84.8	54%	0.536	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.1	-179.4	-170.8	179.1	-177.5	165	4.5	110.6	N391	R388-N391 PolarHBondContact NH2-OD1 2.75Å
389	M	93.8	Very high	92.8	Very high	79 Å²	79	85.1 Å²	85.1	39%	0.389	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-92.8	163.2	171.9	-63.5	-161.9	83.2	0	0	111.2	N391 V407 T409	M389-N391 PolarHBondContact O-N 3.49Å; M389-V407 HydrophobicContact CB-CB 4.02Å; M389-V407 HydrophobicContact CB-CG1 3.98Å; M389-V407 HydrophobicContact CG-CG1 4.24Å; M389-V407 PolarHBondContact N-O 2.58Å; M389-V407 HydrophobicContact SD-CG1 4Å; M389-T409 HydrophobicContact CG-CG2 4.09Å; M389-T409 HydrophobicContact SD-CG2 3.71Å
390	P	93.4	Very high	92.9	Very high	106 Å²	106	82.3 Å²	82.3	69%	0.688	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-55.6	138.3	171.6	-24.3	34.6	0	0	0	111.4
391	N	92	Very high	92.8	Very high	58 Å²	58	87.8 Å²	87.8	31%	0.31	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-59.8	144.7	176.1	-63.1	-6.2	0	0	0	110.3	R388 M389 V405	R388-N391 PolarHBondContact NH2-OD1 2.75Å; M389-N391 PolarHBondContact O-N 3.49Å; N391-V405 WeakPolarHBondContact CA-O 3.31Å
392	Q	94.1	Very high	92.7	Very high	96 Å²	96	85 Å²	85	45%	0.449	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	174.9	178.7	-59.4	178.7	4.8	0	0	110.4	V405 V407	Q392-V405 HydrophobicContact CB-CB 4.18Å; Q392-V405 PolarHBondContact N-O 2.71Å; Q392-V405 PolarHBondContact O-N 2.71Å; Q392-V407 HydrophobicContact CG-CG2 4.09Å
393	L	94.5	Very high	92.7	Very high	96 Å²	96	82.9 Å²	82.9	50%	0.503	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.7	171.1	-72	169.4	0	0	0	109.2	Y395 R403	L393-Y395 HydrophobicContact CB-CE2 4.12Å; L393-R403 CarbonylContact C-O 3.49Å; L393-R403 WeakPolarHBondContact CA-O 3.37Å
394	H	95.3	Very high	92.8	Very high	66 Å²	66	80.8 Å²	80.8	31%	0.306	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.1	173.9	-177.7	-105.6	0	0	0	109.4	I368 G402 R403 V405	I368-H394 HydrophobicContact CD1-CB 4.44Å; I368-H394 HydrophobicContact CG2-CB 4.2Å; H394-G402 WeakPolarHBondContact O-CA 2.95Å; H394-R403 HydrophobicContact CB-CB 4.42Å; H394-R403 PolarHBondContact N-O 3.14Å; H394-R403 PolarHBondContact O-N 3.18Å; H394-V405 HydrophobicContact CB-CG2 3.46Å; H394-V405 VanDerWaalsContact CB-CG2 3.46Å
395	Y	95.1	Very high	93.1	Very high	145 Å²	145	79.4 Å²	79.4	57%	0.569	38%	0.377	S	S	*	.			trans	-120.8	117.6	178.6	-65.3	-86.4	0	0	0	108.4	L393 F401 G402	L393-Y395 HydrophobicContact CB-CE2 4.12Å; Y395-F401 WeakPolarHBondContact CE1-O 3.46Å; Y395-F401 PolarHBondContact OH-O 3.03Å; Y395-G402 VanDerWaalsContact CE1-CA 3.41Å
396	T	93	Very high	93.2	Very high	47 Å²	47	71.5 Å²	71.5	29%	0.288	34%	0.343	S	S	.	.			trans	-121.1	-165.4	173.9	-166.7	0	0	0	0	110.3	D399	T396-D399 VanDerWaalsContact CG2-OD2 3.25Å; T396-D399 WeakPolarHBondContact CG2-OD2 3.37Å; T396-D399 PolarHBondContact N-OD2 3.45Å
397	Y	90	Very high	93.4	Very high	205 Å²	205	70.1 Å²	70.1	80%	0.804	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	140.5	177.6	-58.7	-80.9	0	0	0	111.9	D399	Y397-D399 PolarHBondContact O-N 3.36Å; Y397-D399 VanDerWaalsContact O-N 3.14Å
398	L	91.3	Very high	93.4	Very high	75 Å²	75	66.7 Å²	66.7	39%	0.393	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	10.2	177.2	-53.3	177.6	0	0	0	115.8	E435 L438 V439	L398-E435 HydrophobicContact CB-CB 4.27Å; L398-E435 HydrophobicContact CB-CG 4.17Å; L398-E435 HydrophobicContact CD1-CB 4.24Å; L398-L438 HydrophobicContact CD2-CD2 3.86Å; L398-V439 HydrophobicContact CD1-CG2 4.4Å; L398-V439 HydrophobicContact CD2-CG2 3.63Å
399	D	91.3	Very high	93.6	Very high	24 Å²	24	60.6 Å²	60.6	13%	0.128	30%	0.299	C	S	.	.			trans	-81.6	144.1	174.5	-68.7	-21.4	0	0	0	111.8	E371 T396 Y397 R403	E371-D399 WeakPolarHBondContact OE2-CA 3.47Å; T396-D399 VanDerWaalsContact CG2-OD2 3.25Å; T396-D399 WeakPolarHBondContact CG2-OD2 3.37Å; T396-D399 PolarHBondContact N-OD2 3.45Å; Y397-D399 PolarHBondContact O-N 3.36Å; Y397-D399 VanDerWaalsContact O-N 3.14Å; D399-R403 IonicContact OD1-CZ 3.56Å; D399-R403 IonicContact OD1-NE 3.53Å; D399-R403 PolarHBondContact OD1-NE 3.23Å; D399-R403 IonicContact OD1-NH2 3.12Å; D399-R403 WeakPolarHBondContact OD2-CG 3.31Å; D399-R403 IonicContact OD2-NE 2.73Å
400	T	89.7	Confident	93.8	Very high	52 Å²	52	59 Å²	59	32%	0.319	29%	0.29	S	S	.	.	S	Bend	trans	-111.4	-44.7	177.7	56.8	0	0	0	0	114.6	E371 Q434 L438	E371-T400 PolarHBondContact OE1-N 3.02Å; E371-T400 PolarHBondContact OE1-OG1 3.05Å; E371-T400 PolarHBondContact OE2-N 3.05Å; T400-Q434 PolarHBondContact OG1-NE2 3.5Å; T400-L438 HydrophobicContact CG2-CD1 3.45Å; T400-L438 VanDerWaalsContact CG2-CD1 3.45Å
401	F	89.3	Confident	93.9	Very high	153 Å²	153	58.2 Å²	58.2	67%	0.671	28%	0.28	S	S	*	.	S	Bend	trans	-111.5	-13.4	-178	-50.4	-68.4	0	0	0	111.8	E371 Y395	E371-F401 WeakPolarHBondContact OE1-CD2 3.48Å; E371-F401 PolarHBondContact OE1-N 3.39Å; Y395-F401 WeakPolarHBondContact CE1-O 3.46Å; Y395-F401 PolarHBondContact OH-O 3.03Å
402	G	92	Very high	94.1	Very high	7 Å²	7	57 Å²	57	7%	0.072	27%	0.273	C	S	.	.			trans	97.8	155.2	176.8	0	0	0	0	0	113.5	H394 Y395	H394-G402 WeakPolarHBondContact O-CA 2.95Å; Y395-G402 VanDerWaalsContact CE1-CA 3.41Å
403	R	94.3	Very high	94.3	Very high	11 Å²	11	52.4 Å²	52.4	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130	-179.6	-70.7	178.5	174.1	-135	-16.7	110.9	E230 I368 L369 E371 L393 H394 D399 E435	E230-R403 IonicContact OE1-CZ 3.59Å; E230-R403 IonicContact OE1-NH1 3.69Å; E230-R403 PolarHBondContact OE1-NH1 2.93Å; I368-R403 HydrophobicContact CG2-CB 3.8Å; L369-R403 VanDerWaalsContact O-CB 3.31Å; L369-R403 WeakPolarHBondContact O-CB 3.35Å; E371-R403 HydrophobicContact CB-CG 4.21Å; L393-R403 CarbonylContact C-O 3.49Å; L393-R403 WeakPolarHBondContact CA-O 3.37Å; H394-R403 HydrophobicContact CB-CB 4.42Å; H394-R403 PolarHBondContact N-O 3.14Å; H394-R403 PolarHBondContact O-N 3.18Å; D399-R403 IonicContact OD1-CZ 3.56Å; D399-R403 IonicContact OD1-NE 3.53Å; D399-R403 PolarHBondContact OD1-NE 3.23Å; D399-R403 IonicContact OD1-NH2 3.12Å; D399-R403 WeakPolarHBondContact OD2-CG 3.31Å; D399-R403 IonicContact OD2-NE 2.73Å; R403-E435 IonicContact NH2-OE1 2.68Å
404	P	95	Very high	94.4	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	133.3	176.8	25.7	-27.2	0	0	0	111.1	L369 A373 I375	L369-P404 HydrophobicContact CB-CG 4.15Å; L369-P404 PolarHBondContact N-O 3.19Å; A373-P404 HydrophobicContact CB-CG 3.98Å; I375-P404 HydrophobicContact CD1-CB 3.98Å; I375-P404 HydrophobicContact CG1-CB 3.74Å; I375-P404 HydrophobicContact CG1-CG 4.24Å
405	V	96.1	Very high	94.4	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.7	179.7	-169.8	0	0	0	0	110.1	K366 I367 I368 N391 Q392 H394 V407	K366-V405 HydrophobicContact CB-CG1 4.03Å; I367-V405 WeakPolarHBondContact O-CA 3.27Å; I368-V405 HydrophobicContact CG1-CG1 4.11Å; I368-V405 HydrophobicContact CG1-CG2 4.03Å; I368-V405 HydrophobicContact CG2-CG2 4.44Å; N391-V405 WeakPolarHBondContact CA-O 3.31Å; Q392-V405 HydrophobicContact CB-CB 4.18Å; Q392-V405 PolarHBondContact N-O 2.71Å; Q392-V405 PolarHBondContact O-N 2.71Å; H394-V405 HydrophobicContact CB-CG2 3.46Å; H394-V405 VanDerWaalsContact CB-CG2 3.46Å; V405-V407 HydrophobicContact CG1-CG2 3.95Å
406	L	95.5	Very high	94.3	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.9	169.6	-51.8	171.2	0	0	0	108.5	K366 I367 L369 I378 V380 V423	K366-L406 CarbonylContact C-O 3.58Å; K366-L406 WeakPolarHBondContact CA-O 3.34Å; I367-L406 HydrophobicContact CB-CB 4.21Å; I367-L406 HydrophobicContact CB-CD1 4.49Å; I367-L406 PolarHBondContact N-O 2.9Å; I367-L406 PolarHBondContact O-N 3.44Å; L369-L406 HydrophobicContact CD1-CD1 4.16Å; I378-L406 HydrophobicContact CD1-CD2 4.04Å; I378-L406 HydrophobicContact CG2-CD1 3.57Å; I378-L406 HydrophobicContact CG2-CD2 3.82Å; I378-L406 HydrophobicContact CG2-CG 4.28Å; V380-L406 HydrophobicContact CG2-CD1 3.91Å; L406-V423 HydrophobicContact CD1-CG1 3.69Å; L406-V423 HydrophobicContact CD1-CG2 4.09Å
407	V	96.7	Very high	94.4	Very high	4 Å²	4	42 Å²	42	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.2	-178.9	-174.6	0	0	0	0	108.9	T364 V365 K366 M389 Q392 V405	T364-V407 HydrophobicContact CG2-CG1 3.96Å; V365-V407 WeakPolarHBondContact O-CA 3.38Å; K366-V407 HydrophobicContact CG-CG2 4.31Å; M389-V407 HydrophobicContact CB-CB 4.02Å; M389-V407 HydrophobicContact CB-CG1 3.98Å; M389-V407 HydrophobicContact CG-CG1 4.24Å; M389-V407 PolarHBondContact N-O 2.58Å; M389-V407 HydrophobicContact SD-CG1 4Å; Q392-V407 HydrophobicContact CG-CG2 4.09Å; V405-V407 HydrophobicContact CG1-CG2 3.95Å
408	A	96.4	Very high	94.8	Very high	15 Å²	15	34.2 Å²	34.2	12%	0.124	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149	174.4	0	0	0	0	0	110.6	T364 V365 I386 D387	T364-A408 WeakPolarHBondContact CA-O 3.46Å; V365-A408 PolarHBondContact N-O 2.81Å; V365-A408 PolarHBondContact O-N 2.84Å; I386-A408 HydrophobicContact CD1-CB 3.59Å; I386-A408 HydrophobicContact CG1-CB 4.25Å; D387-A408 CarbonylContact O-C 3.51Å; D387-A408 WeakPolarHBondContact O-CA 2.98Å
409	T	97.6	Very high	95	Very high	15 Å²	15	34.3 Å²	34.3	9%	0.092	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.9	-176.8	56.1	0	0	0	0	110.6	Y362 M363 T364 D387 M389	Y362-T409 VanDerWaalsContact OH-CG2 3.3Å; Y362-T409 WeakPolarHBondContact OH-CG2 3.45Å; M363-T409 VanDerWaalsContact O-CA 3.24Å; M363-T409 WeakPolarHBondContact O-CA 3.04Å; T364-T409 HydrophobicContact CG2-CG2 4.21Å; D387-T409 PolarHBondContact N-O 3.37Å; D387-T409 PolarHBondContact O-N 3.42Å; D387-T409 PolarHBondContact O-OG1 2.69Å; M389-T409 HydrophobicContact CG-CG2 4.09Å; M389-T409 HydrophobicContact SD-CG2 3.71Å
410	K	96.7	Very high	95.2	Very high	44 Å²	44	36.5 Å²	36.5	19%	0.191	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	149.1	171.6	-172.6	157.4	170	75.2	0	111.1	M363 Y384 K385 I386 L413	M363-K410 HydrophobicContact CE-CB 4.44Å; M363-K410 PolarHBondContact N-O 2.83Å; M363-K410 PolarHBondContact O-N 2.89Å; Y384-K410 HydrophobicContact CD2-CD 3.79Å; Y384-K410 HydrophobicContact CE2-CD 3.63Å; K385-K410 WeakPolarHBondContact O-CD 3.5Å; K385-K410 PolarHBondContact O-NZ 2.81Å; I386-K410 HydrophobicContact CG2-CD 3.88Å; K410-L413 HydrophobicContact CB-CD1 4.36Å; K410-L413 HydrophobicContact CB-CD2 4.45Å; K410-L413 HydrophobicContact CD-CD2 3.71Å; K410-L413 HydrophobicContact CG-CD2 3.8Å; K410-L413 HydrophobicContact CG-CG 4.26Å
411	N	97.1	Very high	95.5	Very high	90 Å²	90	34.1 Å²	34.1	48%	0.481	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	158.1	-179	-54.8	-17	0	0	0	110.9	D361 Y362	D361-N411 VanDerWaalsContact O-CA 3.23Å; D361-N411 WeakPolarHBondContact O-CA 3.5Å; D361-N411 WeakPolarHBondContact O-CB 3.49Å; Y362-N411 WeakPolarHBondContact CD2-OD1 3.42Å
412	N	96.4	Very high	95.9	Very high	33 Å²	33	28.5 Å²	28.5	18%	0.176	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.7	61.5	171.4	-159	24.3	0	0	0	114	M74 A75 S131 I360 D361	M74-N412 PolarHBondContact O-ND2 3.39Å; A75-N412 VanDerWaalsContact CA-ND2 3.29Å; A75-N412 WeakPolarHBondContact CA-ND2 3.34Å; A75-N412 PolarHBondContact N-ND2 3.2Å; S131-N412 WeakPolarHBondContact CB-OD1 3.34Å; S131-N412 PolarHBondContact OG-ND2 3.39Å; S131-N412 PolarHBondContact OG-OD1 3.17Å; I360-N412 CarbonylContact O-C 3.59Å; I360-N412 VanDerWaalsContact O-CA 3.24Å; I360-N412 WeakPolarHBondContact O-CA 3.31Å; I360-N412 PolarHBondContact O-N 2.87Å; D361-N412 PolarHBondContact O-N 2.85Å
413	L	97.2	Very high	96.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	148.7	177.8	-58.1	163.5	0	0	0	111	V359 I360 M363 Y384 K410 H417	V359-L413 WeakPolarHBondContact CA-O 3.35Å; I360-L413 HydrophobicContact CB-CB 4.13Å; I360-L413 HydrophobicContact CD1-CB 4.41Å; I360-L413 PolarHBondContact N-O 2.96Å; I360-L413 PolarHBondContact O-N 3.06Å; M363-L413 HydrophobicContact CB-CD1 3.59Å; M363-L413 HydrophobicContact CE-CD1 3.4Å; M363-L413 VanDerWaalsContact CE-CD1 3.4Å; M363-L413 HydrophobicContact CG-CD1 4.18Å; M363-L413 HydrophobicContact SD-CD1 3.53Å; M363-L413 VanDerWaalsContact SD-CD1 3.53Å; Y384-L413 HydrophobicContact CE2-CD2 4.44Å; K410-L413 HydrophobicContact CB-CD1 4.36Å; K410-L413 HydrophobicContact CB-CD2 4.45Å; K410-L413 HydrophobicContact CD-CD2 3.71Å; K410-L413 HydrophobicContact CG-CD2 3.8Å; K410-L413 HydrophobicContact CG-CG 4.26Å; L413-H417 HydrophobicContact CB-CB 4.45Å; L413-H417 HydrophobicContact CD2-CB 3.81Å
414	V	96.9	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	172.4	175	-69.6	0	0	0	0	109.2	L42 A75 Q358 Q416 H417	L42-V414 HydrophobicContact CD1-CG1 4.24Å; L42-V414 HydrophobicContact CD2-CG1 4.4Å; A75-V414 HydrophobicContact CB-CB 4.46Å; A75-V414 HydrophobicContact CB-CG1 3.59Å; A75-V414 HydrophobicContact CB-CG2 4.04Å; Q358-V414 WeakPolarHBondContact O-CA 3.43Å; V414-Q416 HydrophobicContact CG2-CB 4.44Å; V414-Q416 PolarHBondContact O-N 2.92Å; V414-Q416 VanDerWaalsContact O-N 3.08Å; V414-H417 WeakPolarHBondContact CG2-ND1 3.4Å; V414-H417 PolarHBondContact N-ND1 2.86Å; V414-H417 VanDerWaalsContact O-CB 3.27Å; V414-H417 WeakPolarHBondContact O-CB 3.31Å; V414-H417 PolarHBondContact O-N 3.14Å; V414-H417 PolarHBondContact O-ND1 3.21Å
415	E	94.8	Very high	96.1	Very high	71 Å²	71	31.1 Å²	31.1	33%	0.332	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-51.8	-32.8	-176.5	-160.1	180	160.4	0	0	114.6	D357 H417 I418	D357-E415 PolarHBondContact N-OE2 2.94Å; E415-H417 PolarHBondContact O-N 3.2Å; E415-I418 HydrophobicContact CG-CD1 3.74Å; E415-I418 WeakPolarHBondContact O-CB 3.3Å; E415-I418 WeakPolarHBondContact O-CG1 3.39Å; E415-I418 PolarHBondContact O-N 3.08Å
416	Q	93.5	Very high	96	Very high	51 Å²	51	31.9 Å²	31.9	24%	0.238	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-64.6	-13.4	177.8	-66.5	65.4	32.7	0	0	113.2	Y76 M129 V414 I418 Q419	Y76-Q416 HydrophobicContact CD1-CB 4.22Å; Y76-Q416 HydrophobicContact CD1-CG 4.15Å; Y76-Q416 HydrophobicContact CD2-CB 3.8Å; Y76-Q416 HydrophobicContact CE1-CB 4.34Å; Y76-Q416 HydrophobicContact CE1-CG 4.22Å; Y76-Q416 HydrophobicContact CE2-CB 3.94Å; Y76-Q416 HydrophobicContact CG-CB 3.95Å; Y76-Q416 HydrophobicContact CG-CG 4.34Å; M129-Q416 HydrophobicContact CE-CG 3.92Å; M129-Q416 HydrophobicContact SD-CG 4.32Å; M129-Q416 PolarHBondContact SD-OE1 3.37Å; V414-Q416 HydrophobicContact CG2-CB 4.44Å; V414-Q416 PolarHBondContact O-N 2.92Å; V414-Q416 VanDerWaalsContact O-N 3.08Å; Q416-I418 VanDerWaalsContact C-N 3.34Å; Q416-Q419 PolarHBondContact O-NE2 2.69Å
417	H	95.7	Very high	95.9	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.065	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-87	-2	175.1	-65.5	90.4	0	0	0	113.5	A75 V351 Y384 L413 V414 E415 Q419	A75-H417 PolarHBondContact O-CE1 2.86Å; V351-H417 HydrophobicContact CG1-CB 4.12Å; V351-H417 VanDerWaalsContact CG1-O 3.29Å; V351-H417 WeakPolarHBondContact CG1-O 3.33Å; Y384-H417 HydrophobicContact CE1-CB 3.96Å; Y384-H417 AromaticContact CE1-CD2 3.91Å; Y384-H417 VanDerWaalsContact CE1-O 3.29Å; Y384-H417 WeakPolarHBondContact CE1-O 3.25Å; Y384-H417 AromaticContact CZ-CD2 3.98Å; Y384-H417 PolarHBondContact OH-O 3.46Å; L413-H417 HydrophobicContact CB-CB 4.45Å; L413-H417 HydrophobicContact CD2-CB 3.81Å; V414-H417 WeakPolarHBondContact CG2-ND1 3.4Å; V414-H417 PolarHBondContact N-ND1 2.86Å; V414-H417 VanDerWaalsContact O-CB 3.27Å; V414-H417 WeakPolarHBondContact O-CB 3.31Å; V414-H417 PolarHBondContact O-N 3.14Å; V414-H417 PolarHBondContact O-ND1 3.21Å; E415-H417 PolarHBondContact O-N 3.2Å; H417-Q419 VanDerWaalsContact C-N 3.3Å; H417-Q419 PolarHBondContact O-N 3.32Å
418	I	96.6	Very high	95.7	Very high	41 Å²	41	34.2 Å²	34.2	21%	0.21	18%	0.175	C	C	.	.			trans	-68.9	90.9	172.8	-61.3	170.9	0	0	0	108.1	R349 V351 H353 E415 Q416	R349-I418 HydrophobicContact CG-CG2 4.34Å; V351-I418 HydrophobicContact CG1-CG1 4.11Å; H353-I418 HydrophobicContact CB-CD1 4.13Å; E415-I418 HydrophobicContact CG-CD1 3.74Å; E415-I418 WeakPolarHBondContact O-CB 3.3Å; E415-I418 WeakPolarHBondContact O-CG1 3.39Å; E415-I418 PolarHBondContact O-N 3.08Å; Q416-I418 VanDerWaalsContact C-N 3.34Å
419	Q	95.6	Very high	95.4	Very high	77 Å²	77	38.9 Å²	38.9	36%	0.36	19%	0.193	S	C	.	.			trans	-140.9	156	-178.6	-64.5	-174.3	40.4	0	0	109.7	L350 P383 Y384 Q416 H417	L350-Q419 PolarHBondContact N-O 2.84Å; P383-Q419 HydrophobicContact CB-CB 3.74Å; P383-Q419 VanDerWaalsContact CB-OE1 3.29Å; P383-Q419 HydrophobicContact CG-CB 3.65Å; Y384-Q419 HydrophobicContact CE1-CB 4.25Å; Y384-Q419 HydrophobicContact CE1-CG 4.48Å; Q416-Q419 PolarHBondContact O-NE2 2.69Å; H417-Q419 VanDerWaalsContact C-N 3.3Å; H417-Q419 PolarHBondContact O-N 3.32Å
420	D	96.5	Very high	95.1	Very high	70 Å²	70	43.9 Å²	43.9	37%	0.374	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	140.8	-177.7	-63.3	-27.3	0	0	0	111.6	K347 M348 R349 P383	K347-D420 WeakPolarHBondContact CE-OD2 3.11Å; K347-D420 HydrophobicContact CG-CB 4.12Å; K347-D420 IonicContact NZ-OD2 3.92Å; K347-D420 PolarHBondContact NZ-OD2 3.45Å; M348-D420 CarbonylContact O-C 3.58Å; M348-D420 VanDerWaalsContact O-CA 3.27Å; M348-D420 WeakPolarHBondContact O-CA 3.3Å; R349-D420 WeakPolarHBondContact CG-OD1 3.14Å; R349-D420 PolarHBondContact N-OD1 2.92Å; P383-D420 WeakPolarHBondContact CD-O 3.25Å; P383-D420 WeakPolarHBondContact CG-O 3.26Å
421	F	96.4	Very high	94.8	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	159.7	163.2	72.9	-87.4	0	0	0	109.6	I229 L346 K347 M348 L350 I367 D381 V423	I229-F421 HydrophobicContact CD1-CE1 4.02Å; I229-F421 HydrophobicContact CD1-CZ 3.86Å; L346-F421 HydrophobicContact CD2-CE2 4.36Å; L346-F421 HydrophobicContact CD2-CZ 4.48Å; K347-F421 WeakPolarHBondContact CA-O 3.47Å; M348-F421 HydrophobicContact CB-CE1 3.85Å; M348-F421 HydrophobicContact CB-CZ 3.98Å; M348-F421 PolarHBondContact N-O 3.05Å; M348-F421 VanDerWaalsContact N-O 3.13Å; M348-F421 WeakPolarHBondContact O-CD1 3.44Å; M348-F421 VanDerWaalsContact O-CE1 3.31Å; M348-F421 WeakPolarHBondContact O-CE1 3.31Å; M348-F421 PolarHBondContact O-N 3.05Å; L350-F421 HydrophobicContact CB-CD1 3.84Å; L350-F421 HydrophobicContact CD1-CB 4.12Å; L350-F421 HydrophobicContact CD1-CD1 3.63Å; L350-F421 HydrophobicContact CD1-CE1 4.28Å; L350-F421 HydrophobicContact CD1-CG 3.95Å; L350-F421 HydrophobicContact CG-CD1 4.35Å; I367-F421 HydrophobicContact CD1-CD2 4.09Å; I367-F421 HydrophobicContact CD1-CE2 3.35Å; I367-F421 HydrophobicContact CD1-CZ 3.65Å; I367-F421 HydrophobicContact CG1-CE2 4.33Å; I367-F421 HydrophobicContact CG1-CZ 4.21Å; D381-F421 WeakPolarHBondContact O-CA 3.38Å; D381-F421 WeakPolarHBondContact O-CB 3.34Å; F421-V423 HydrophobicContact CD2-CG2 3.76Å; F421-V423 HydrophobicContact CE2-CG2 3.6Å
422	V	96.9	Very high	94.5	Very high	35 Å²	35	42 Å²	42	21%	0.212	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130	173.9	-170.3	0	0	0	0	110.3	A345 L346 K347 V380 D381 H424	A345-V422 HydrophobicContact CB-CG1 4.19Å; L346-V422 CarbonylContact O-C 3.5Å; L346-V422 VanDerWaalsContact O-CA 3.25Å; L346-V422 WeakPolarHBondContact O-CA 3.35Å; K347-V422 HydrophobicContact CB-CG2 4.2Å; K347-V422 HydrophobicContact CD-CG2 4.45Å; K347-V422 HydrophobicContact CG-CG2 4.03Å; V380-V422 CarbonylContact C-O 3.59Å; V380-V422 WeakPolarHBondContact CA-O 3.27Å; D381-V422 HydrophobicContact CB-CB 4.25Å; D381-V422 PolarHBondContact N-O 3.17Å; D381-V422 PolarHBondContact O-N 2.89Å; V422-H424 WeakPolarHBondContact CG1-NE2 3.29Å
423	V	96	Very high	94.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.5	171.5	178.4	0	0	0	0	109.5	A345 L346 I367 L369 I378 H379 V380 L406 F421 Y425	A345-V423 CarbonylContact C-O 3.58Å; A345-V423 WeakPolarHBondContact CA-O 3.49Å; L346-V423 HydrophobicContact CB-CB 4.4Å; L346-V423 PolarHBondContact N-O 2.94Å; L346-V423 PolarHBondContact O-N 3.27Å; I367-V423 HydrophobicContact CD1-CG2 3.82Å; L369-V423 HydrophobicContact CD1-CG1 4.37Å; L369-V423 HydrophobicContact CD2-CG1 4.46Å; I378-V423 HydrophobicContact CG2-CG1 3.94Å; H379-V423 WeakPolarHBondContact O-CA 3.34Å; V380-V423 HydrophobicContact CG1-CG2 4.02Å; V380-V423 HydrophobicContact CG2-CG2 4.13Å; L406-V423 HydrophobicContact CD1-CG1 3.69Å; L406-V423 HydrophobicContact CD1-CG2 4.09Å; F421-V423 HydrophobicContact CD2-CG2 3.76Å; F421-V423 HydrophobicContact CE2-CG2 3.6Å; V423-Y425 HydrophobicContact CG1-CD1 4.2Å
424	H	95.4	Very high	94	Very high	74 Å²	74	48.1 Å²	48.1	34%	0.343	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.9	172.1	-63.4	-81.1	0	0	0	110.2	Y344 I378 H379 D381 V422	Y344-H424 WeakPolarHBondContact O-CA 3.32Å; I378-H424 VanDerWaalsContact CA-O 3.31Å; I378-H424 WeakPolarHBondContact CA-O 3.49Å; H379-H424 HydrophobicContact CB-CB 4.22Å; H379-H424 PolarHBondContact N-O 2.81Å; H379-H424 PolarHBondContact O-N 3.36Å; D381-H424 IonicContact OD2-CD2 2.68Å; D381-H424 PolarHBondContact OD2-CD2 2.9Å; D381-H424 IonicContact OD2-NE2 2.98Å; D381-H424 PolarHBondContact OD2-NE2 3.46Å; V422-H424 WeakPolarHBondContact CG1-NE2 3.29Å
425	Y	94.9	Very high	93.7	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	160.8	173.8	64.3	-84.5	0	0	0	111.5	H233 L337 Y344 L369 P370 A373 V423 F427	H233-Y425 AromaticContact CE1-CE2 3.77Å; H233-Y425 AromaticContact CE1-CZ 3.69Å; H233-Y425 PolarHBondContact CE1-OH 2.86Å; H233-Y425 AromaticContact NE2-CE2 3.59Å; H233-Y425 AromaticContact NE2-CZ 3.73Å; H233-Y425 PolarHBondContact NE2-OH 3.18Å; L337-Y425 HydrophobicContact CD1-CE1 4.32Å; L337-Y425 WeakPolarHBondContact CD1-OH 3.37Å; Y344-Y425 WeakPolarHBondContact CB-OH 3.46Å; Y344-Y425 HydrophobicContact CD2-CE2 4.15Å; Y344-Y425 AromaticContact CG-CE2 3.92Å; Y344-Y425 HydrophobicContact CG-CE2 3.92Å; Y344-Y425 AromaticContact CG-CZ 3.98Å; Y344-Y425 PolarHBondContact N-O 3.24Å; Y344-Y425 PolarHBondContact O-N 3.23Å; L369-Y425 HydrophobicContact CD1-CD1 4.24Å; L369-Y425 HydrophobicContact CD1-CG 4.19Å; L369-Y425 HydrophobicContact CD2-CD1 3.9Å; L369-Y425 HydrophobicContact CD2-CE1 3.83Å; L369-Y425 HydrophobicContact CD2-CG 4.48Å; P370-Y425 HydrophobicContact CG-CE2 4.24Å; A373-Y425 HydrophobicContact CB-CD2 4.1Å; V423-Y425 HydrophobicContact CG1-CD1 4.2Å; Y425-F427 HydrophobicContact CD2-CB 4.22Å; Y425-F427 HydrophobicContact CE2-CB 4.05Å
426	T	94.1	Very high	93.7	Very high	22 Å²	22	48.9 Å²	48.9	14%	0.135	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.8	176.4	58.1	0	0	0	0	110.8	E342 Q343 K374 N377	E342-T426 VanDerWaalsContact O-CA 3.31Å; E342-T426 WeakPolarHBondContact O-CA 3.14Å; Q343-T426 HydrophobicContact CG-CG2 4.19Å; K374-T426 PolarHBondContact N-O 2.92Å; N377-T426 HydrophobicContact CB-CG2 4.36Å
427	F	93.3	Very high	93.8	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.022	26%	0.264	C	S	.	.			trans	-139.4	131.8	-178.6	174.6	-101.8	0	0	0	111.1	H233 E342 Y344 P370 E371 Y425 L431 M432	H233-F427 HydrophobicContact CB-CE1 4.49Å; H233-F427 AromaticContact CD2-CD1 3.53Å; H233-F427 AromaticContact CD2-CE1 3.81Å; H233-F427 AromaticContact NE2-CD1 3.93Å; E342-F427 PolarHBondContact O-N 3.21Å; Y344-F427 HydrophobicContact CD2-CB 3.87Å; Y344-F427 HydrophobicContact CE2-CB 3.77Å; Y344-F427 HydrophobicContact CE2-CD1 4.01Å; Y344-F427 HydrophobicContact CE2-CG 4.41Å; P370-F427 HydrophobicContact CB-CE2 4.39Å; P370-F427 HydrophobicContact CG-CD2 4.1Å; P370-F427 HydrophobicContact CG-CE2 4.41Å; P370-F427 HydrophobicContact CG-CG 4.48Å; E371-F427 VanDerWaalsContact O-CE2 3.23Å; E371-F427 WeakPolarHBondContact O-CE2 3.23Å; Y425-F427 HydrophobicContact CD2-CB 4.22Å; Y425-F427 HydrophobicContact CE2-CB 4.05Å; F427-L431 HydrophobicContact CE2-CB 4.27Å; F427-L431 HydrophobicContact CZ-CB 4.38Å; F427-M432 HydrophobicContact CE1-CG 3.54Å; F427-M432 HydrophobicContact CE1-SD 3.97Å; F427-M432 HydrophobicContact CZ-CG 3.45Å; F427-M432 VanDerWaalsContact CZ-CG 3.45Å; F427-M432 HydrophobicContact CZ-SD 4.44Å
428	N	91.6	Very high	93.7	Very high	56 Å²	56	54.5 Å²	54.5	30%	0.299	28%	0.279	S	S	.	.			trans	-88.6	115.9	176.8	-179.8	-9	0	0	0	109.6	I430 L431	N428-I430 PolarHBondContact O-N 3.02Å; N428-I430 VanDerWaalsContact O-N 3.13Å; N428-I430 WeakPolarHBondContact OD1-CB 3.31Å; N428-I430 PolarHBondContact OD1-N 3.33Å; N428-L431 WeakPolarHBondContact O-CB 3.37Å; N428-L431 PolarHBondContact O-N 2.7Å
429	K	89.3	Confident	93.7	Very high	113 Å²	113	55.3 Å²	55.3	49%	0.491	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-56.9	-29.5	-178.8	-68.6	-178.3	-179.9	179.1	0	113.9	Y344 L431 M432	Y344-K429 WeakPolarHBondContact OH-CE 3.49Å; Y344-K429 WeakPolarHBondContact OH-CG 3.39Å; K429-L431 PolarHBondContact O-N 3.46Å; K429-M432 WeakPolarHBondContact O-CB 3.41Å; K429-M432 PolarHBondContact O-N 3.45Å
430	I	91.5	Very high	93.8	Very high	121 Å²	121	55.9 Å²	55.9	62%	0.621	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-62.9	-28.9	178.7	-60.4	172.7	0	0	0	110.9	N428 M432 L433	N428-I430 PolarHBondContact O-N 3.02Å; N428-I430 VanDerWaalsContact O-N 3.13Å; N428-I430 WeakPolarHBondContact OD1-CB 3.31Å; N428-I430 PolarHBondContact OD1-N 3.33Å; I430-M432 PolarHBondContact O-N 3.46Å; I430-L433 WeakPolarHBondContact O-CB 3.48Å; I430-L433 PolarHBondContact O-N 2.97Å; I430-L433 VanDerWaalsContact O-N 3.08Å
431	L	90.4	Very high	93.7	Very high	57 Å²	57	54 Å²	54	30%	0.298	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-66	-22.9	-179.2	-138	155.9	0	0	0	112	F427 N428 K429 L433 Q434	F427-L431 HydrophobicContact CE2-CB 4.27Å; F427-L431 HydrophobicContact CZ-CB 4.38Å; N428-L431 WeakPolarHBondContact O-CB 3.37Å; N428-L431 PolarHBondContact O-N 2.7Å; K429-L431 PolarHBondContact O-N 3.46Å; L431-L433 PolarHBondContact O-N 3.25Å; L431-Q434 WeakPolarHBondContact O-CB 3.44Å; L431-Q434 PolarHBondContact O-N 2.87Å
432	M	90.4	Very high	93.7	Very high	37 Å²	37	56.9 Å²	56.9	18%	0.182	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-61.2	-26.5	172.6	-63.5	-178.7	64.6	0	0	113.2	H233 W234 F427 K429 I430 Q434 E435 P436	H233-M432 HydrophobicContact CB-CE 3.82Å; H233-M432 HydrophobicContact CB-SD 3.76Å; H233-M432 WeakPolarHBondContact O-CE 3.44Å; W234-M432 HydrophobicContact CD2-CE 3.77Å; W234-M432 HydrophobicContact CE3-CE 4.17Å; W234-M432 HydrophobicContact CG-CE 4.05Å; W234-M432 HydrophobicContact CZ2-CB 4.49Å; W234-M432 HydrophobicContact CZ2-CE 4.32Å; F427-M432 HydrophobicContact CE1-CG 3.54Å; F427-M432 HydrophobicContact CE1-SD 3.97Å; F427-M432 HydrophobicContact CZ-CG 3.45Å; F427-M432 VanDerWaalsContact CZ-CG 3.45Å; F427-M432 HydrophobicContact CZ-SD 4.44Å; K429-M432 WeakPolarHBondContact O-CB 3.41Å; K429-M432 PolarHBondContact O-N 3.45Å; I430-M432 PolarHBondContact O-N 3.46Å; M432-Q434 PolarHBondContact O-N 3.42Å; M432-E435 PolarHBondContact O-N 3.32Å; M432-P436 VanDerWaalsContact O-CD 3.25Å; M432-P436 WeakPolarHBondContact O-CD 3.32Å
433	L	92.2	Very high	93.7	Very high	104 Å²	104	61 Å²	61	55%	0.545	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-68.5	-15.4	177.5	-65.6	174.8	0	0	0	112.7	I430 L431 E435 P436 L437	I430-L433 WeakPolarHBondContact O-CB 3.48Å; I430-L433 PolarHBondContact O-N 2.97Å; I430-L433 VanDerWaalsContact O-N 3.08Å; L431-L433 PolarHBondContact O-N 3.25Å; L433-E435 VanDerWaalsContact C-N 3.34Å; L433-E435 PolarHBondContact O-N 3.21Å; L433-P436 WeakPolarHBondContact O-CD 3.42Å; L433-L437 HydrophobicContact CB-CD1 4.46Å; L433-L437 WeakPolarHBondContact O-CB 3.13Å; L433-L437 WeakPolarHBondContact O-CD1 3.31Å; L433-L437 WeakPolarHBondContact O-CG 3.29Å; L433-L437 PolarHBondContact O-N 2.84Å
434	Q	91.4	Very high	93.8	Very high	58 Å²	58	68.3 Å²	68.3	27%	0.271	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-40.7	177.9	-174.1	178.5	-37.5	0	0	112	T400 L431 M432 L437 L438	T400-Q434 PolarHBondContact OG1-NE2 3.5Å; L431-Q434 WeakPolarHBondContact O-CB 3.44Å; L431-Q434 PolarHBondContact O-N 2.87Å; M432-Q434 PolarHBondContact O-N 3.42Å; Q434-L437 PolarHBondContact O-N 2.94Å; Q434-L438 WeakPolarHBondContact O-CB 3.44Å; Q434-L438 PolarHBondContact O-N 3.46Å
435	E	91.3	Very high	93.9	Very high	30 Å²	30	70 Å²	70	14%	0.14	37%	0.369	C	S	.	.	H	α-helix	trans	-62.9	-50.3	-177.2	-67.4	174.8	-167.2	0	0	112	W234 L398 R403 M432 L433 L437 L438	W234-E435 PolarHBondContact NE1-OE2 3.05Å; L398-E435 HydrophobicContact CB-CB 4.27Å; L398-E435 HydrophobicContact CB-CG 4.17Å; L398-E435 HydrophobicContact CD1-CB 4.24Å; R403-E435 IonicContact NH2-OE1 2.68Å; M432-E435 PolarHBondContact O-N 3.32Å; L433-E435 VanDerWaalsContact C-N 3.34Å; L433-E435 PolarHBondContact O-N 3.21Å; E435-L437 PolarHBondContact O-N 2.98Å; E435-L438 WeakPolarHBondContact O-CB 3.44Å; E435-L438 PolarHBondContact O-N 3.25Å
436	P	94.6	Very high	94.1	Very high	56 Å²	56	74.5 Å²	74.5	36%	0.364	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-39.4	172.4	-24	33.3	0	0	0	113.8	W234 M432 L433 L438 V439 V440	W234-P436 HydrophobicContact CH2-CG 3.95Å; W234-P436 HydrophobicContact CZ2-CG 4.14Å; M432-P436 VanDerWaalsContact O-CD 3.25Å; M432-P436 WeakPolarHBondContact O-CD 3.32Å; L433-P436 WeakPolarHBondContact O-CD 3.42Å; P436-L438 VanDerWaalsContact C-N 3.26Å; P436-L438 PolarHBondContact O-N 2.9Å; P436-V439 PolarHBondContact O-N 3.25Å; P436-V440 WeakPolarHBondContact O-CG2 3.44Å; P436-V440 PolarHBondContact O-N 3.01Å
437	L	95.1	Very high	94.2	Very high	112 Å²	112	79.8 Å²	79.8	59%	0.586	41%	0.414	S	S	*	.	H	α-helix	trans	-65.8	-30.6	-180	-73.1	174	0	0	0	112.3	L433 Q434 E435 V439 V440 G441	L433-L437 HydrophobicContact CB-CD1 4.46Å; L433-L437 WeakPolarHBondContact O-CB 3.13Å; L433-L437 WeakPolarHBondContact O-CD1 3.31Å; L433-L437 WeakPolarHBondContact O-CG 3.29Å; L433-L437 PolarHBondContact O-N 2.84Å; Q434-L437 PolarHBondContact O-N 2.94Å; E435-L437 PolarHBondContact O-N 2.98Å; L437-V439 VanDerWaalsContact C-N 3.35Å; L437-V440 PolarHBondContact O-N 3.45Å; L437-G441 PolarHBondContact O-N 2.84Å
438	L	94.4	Very high	94.4	Very high	72 Å²	72	84.4 Å²	84.4	38%	0.377	44%	0.435	S	S	.	.	H	α-helix	trans	-59.9	-46.7	173.1	-166.8	102	0	0	0	111	L398 T400 Q434 E435 P436 G441 A442	L398-L438 HydrophobicContact CD2-CD2 3.86Å; T400-L438 HydrophobicContact CG2-CD1 3.45Å; T400-L438 VanDerWaalsContact CG2-CD1 3.45Å; Q434-L438 WeakPolarHBondContact O-CB 3.44Å; Q434-L438 PolarHBondContact O-N 3.46Å; E435-L438 WeakPolarHBondContact O-CB 3.44Å; E435-L438 PolarHBondContact O-N 3.25Å; P436-L438 VanDerWaalsContact C-N 3.26Å; P436-L438 PolarHBondContact O-N 2.9Å; L438-G441 PolarHBondContact O-N 3.34Å; L438-A442 PolarHBondContact O-N 3.21Å
439	V	95.8	Very high	94.7	Very high	57 Å²	57	85.4 Å²	85.4	35%	0.345	44%	0.443	S	S	.	.	H	α-helix	trans	-64.5	-46.3	177.8	-179.5	0	0	0	0	110.7	L398 P436 L437 G441 A442 F443	L398-V439 HydrophobicContact CD1-CG2 4.4Å; L398-V439 HydrophobicContact CD2-CG2 3.63Å; P436-V439 PolarHBondContact O-N 3.25Å; L437-V439 VanDerWaalsContact C-N 3.35Å; V439-G441 VanDerWaalsContact C-N 3.3Å; V439-G441 PolarHBondContact O-N 3.02Å; V439-A442 PolarHBondContact O-N 3.18Å; V439-F443 HydrophobicContact CG1-CD2 3.78Å; V439-F443 HydrophobicContact CG1-CE2 3.65Å; V439-F443 VanDerWaalsContact O-CD2 3.31Å; V439-F443 WeakPolarHBondContact O-CD2 3.25Å; V439-F443 PolarHBondContact O-N 3.37Å; V439-F443 VanDerWaalsContact O-N 3.08Å
440	V	97.4	Very high	95.1	Very high	90 Å²	90	83.6 Å²	83.6	55%	0.545	44%	0.441	S	S	.	.	H	α-helix	trans	-58	-43.9	175.9	172.9	0	0	0	0	111	P436 L437 A442 F443 Y444	P436-V440 WeakPolarHBondContact O-CG2 3.44Å; P436-V440 PolarHBondContact O-N 3.01Å; L437-V440 PolarHBondContact O-N 3.45Å; V440-A442 PolarHBondContact O-N 2.84Å; V440-F443 PolarHBondContact O-N 3.08Å; V440-Y444 VanDerWaalsContact O-CB 3.29Å; V440-Y444 WeakPolarHBondContact O-CB 3.32Å; V440-Y444 PolarHBondContact O-N 3.47Å
441	G	96.3	Very high	95.3	Very high	30 Å²	30	82.3 Å²	82.3	31%	0.309	44%	0.435	S	S	.	.	H	α-helix	trans	-59.3	-44.2	176.7	0	0	0	0	0	112.5	L437 L438 V439 Y444 I445	L437-G441 PolarHBondContact O-N 2.84Å; L438-G441 PolarHBondContact O-N 3.34Å; V439-G441 VanDerWaalsContact C-N 3.3Å; V439-G441 PolarHBondContact O-N 3.02Å; G441-Y444 PolarHBondContact O-N 3.42Å; G441-I445 VanDerWaalsContact O-CG1 3.29Å; G441-I445 WeakPolarHBondContact O-CG1 3.3Å; G441-I445 PolarHBondContact O-N 3.2Å
442	A	95.9	Very high	95.6	Very high	62 Å²	62	83.3 Å²	83.3	51%	0.512	44%	0.44	S	S	.	.	H	α-helix	trans	-61.7	-46.7	177.4	0	0	0	0	0	112.3	L438 V439 V440 I445 L446	L438-A442 PolarHBondContact O-N 3.21Å; V439-A442 PolarHBondContact O-N 3.18Å; V440-A442 PolarHBondContact O-N 2.84Å; A442-I445 PolarHBondContact O-N 3.04Å; A442-L446 PolarHBondContact O-N 2.84Å
443	F	97.4	Very high	95.8	Very high	121 Å²	121	89.4 Å²	89.4	53%	0.531	46%	0.462	S	S	.	.	H	α-helix	trans	-66	-38.8	175.8	-79.9	-73.5	0	0	0	112.4	V439 V440 I445 L446 F447	V439-F443 HydrophobicContact CG1-CD2 3.78Å; V439-F443 HydrophobicContact CG1-CE2 3.65Å; V439-F443 VanDerWaalsContact O-CD2 3.31Å; V439-F443 WeakPolarHBondContact O-CD2 3.25Å; V439-F443 PolarHBondContact O-N 3.37Å; V439-F443 VanDerWaalsContact O-N 3.08Å; V440-F443 PolarHBondContact O-N 3.08Å; F443-I445 VanDerWaalsContact C-N 3.34Å; F443-I445 PolarHBondContact O-N 3.39Å; F443-L446 WeakPolarHBondContact O-CB 3.45Å; F443-L446 PolarHBondContact O-N 3.41Å; F443-F447 HydrophobicContact CB-CE2 4.46Å; F443-F447 WeakPolarHBondContact O-CD2 3.47Å; F443-F447 PolarHBondContact O-N 3.21Å
444	Y	97.9	Very high	95.9	Very high	153 Å²	153	89.2 Å²	89.2	60%	0.6	47%	0.465	S	S	*	.	H	α-helix	trans	-60.4	-44.2	176.8	-177.6	-93.8	0	0	0	111.5	V440 G441 L446 F447 F448	V440-Y444 VanDerWaalsContact O-CB 3.29Å; V440-Y444 WeakPolarHBondContact O-CB 3.32Å; V440-Y444 PolarHBondContact O-N 3.47Å; G441-Y444 PolarHBondContact O-N 3.42Å; Y444-L446 VanDerWaalsContact C-N 3.31Å; Y444-L446 PolarHBondContact O-N 3.02Å; Y444-F447 PolarHBondContact O-N 3.39Å; Y444-F448 HydrophobicContact CE1-CB 4.4Å; Y444-F448 VanDerWaalsContact O-CB 3.23Å; Y444-F448 WeakPolarHBondContact O-CB 3.17Å; Y444-F448 PolarHBondContact O-N 3.36Å
445	I	97.6	Very high	96	Very high	109 Å²	109	96.1 Å²	96.1	56%	0.559	49%	0.488	S	S	*	.	H	α-helix	trans	-60.4	-42	176.1	-69.4	165	0	0	0	110.8	G441 A442 F443 F448 T449	G441-I445 VanDerWaalsContact O-CG1 3.29Å; G441-I445 WeakPolarHBondContact O-CG1 3.3Å; G441-I445 PolarHBondContact O-N 3.2Å; A442-I445 PolarHBondContact O-N 3.04Å; F443-I445 VanDerWaalsContact C-N 3.34Å; F443-I445 PolarHBondContact O-N 3.39Å; I445-F448 PolarHBondContact O-N 3.34Å; I445-T449 VanDerWaalsContact O-CB 3.32Å; I445-T449 WeakPolarHBondContact O-CB 3.42Å; I445-T449 PolarHBondContact O-N 3.47Å; I445-T449 PolarHBondContact O-OG1 3.24Å
446	L	97.6	Very high	96	Very high	100 Å²	100	98.7 Å²	98.7	52%	0.524	50%	0.502	S	S	.	.	H	α-helix	trans	-59.3	-53	176.5	177.4	65	0	0	0	111.4	A442 F443 Y444 F448 T449 V450	A442-L446 PolarHBondContact O-N 2.84Å; F443-L446 WeakPolarHBondContact O-CB 3.45Å; F443-L446 PolarHBondContact O-N 3.41Å; Y444-L446 VanDerWaalsContact C-N 3.31Å; Y444-L446 PolarHBondContact O-N 3.02Å; L446-F448 PolarHBondContact O-N 2.88Å; L446-T449 WeakPolarHBondContact O-CB 3.37Å; L446-T449 PolarHBondContact O-N 3.3Å; L446-V450 WeakPolarHBondContact O-CG2 3.19Å; L446-V450 PolarHBondContact O-N 2.98Å
447	F	97.1	Very high	95.5	Very high	132 Å²	132	100.9 Å²	100.9	58%	0.579	51%	0.511	S	S	*	.	H	α-helix	trans	-64.1	-39.9	179.5	-72.4	-64.4	0	0	0	112.4	F443 Y444 T449 V450 I451	F443-F447 HydrophobicContact CB-CE2 4.46Å; F443-F447 WeakPolarHBondContact O-CD2 3.47Å; F443-F447 PolarHBondContact O-N 3.21Å; Y444-F447 PolarHBondContact O-N 3.39Å; F447-T449 VanDerWaalsContact C-N 3.31Å; F447-T449 PolarHBondContact O-N 3.49Å; F447-V450 PolarHBondContact O-N 2.84Å; F447-I451 VanDerWaalsContact O-CG1 3.32Å; F447-I451 WeakPolarHBondContact O-CG1 3.12Å; F447-I451 PolarHBondContact O-N 2.85Å
448	F	97.4	Very high	95.2	Very high	102 Å²	102	102.9 Å²	102.9	45%	0.447	52%	0.515	S	S	.	.	H	α-helix	trans	-63.4	-39.3	176.7	-170	-105.3	0	0	0	111.7	Y444 I445 L446 I451 I452	Y444-F448 HydrophobicContact CE1-CB 4.4Å; Y444-F448 VanDerWaalsContact O-CB 3.23Å; Y444-F448 WeakPolarHBondContact O-CB 3.17Å; Y444-F448 PolarHBondContact O-N 3.36Å; I445-F448 PolarHBondContact O-N 3.34Å; L446-F448 PolarHBondContact O-N 2.88Å; F448-I451 PolarHBondContact O-N 3.18Å; F448-I452 HydrophobicContact CD1-CD1 3.65Å; F448-I452 HydrophobicContact CD1-CG1 4.42Å; F448-I452 HydrophobicContact CE1-CD1 3.35Å; F448-I452 HydrophobicContact CE1-CG1 4.19Å; F448-I452 HydrophobicContact CZ-CD1 4.05Å; F448-I452 WeakPolarHBondContact O-CG1 3.45Å; F448-I452 PolarHBondContact O-N 2.88Å
449	T	97.2	Very high	94.8	Very high	77 Å²	77	101.8 Å²	101.8	47%	0.472	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-42.3	174.6	-56.9	0	0	0	0	111.3	I445 L446 F447 I452 Y453	I445-T449 VanDerWaalsContact O-CB 3.32Å; I445-T449 WeakPolarHBondContact O-CB 3.42Å; I445-T449 PolarHBondContact O-N 3.47Å; I445-T449 PolarHBondContact O-OG1 3.24Å; L446-T449 WeakPolarHBondContact O-CB 3.37Å; L446-T449 PolarHBondContact O-N 3.3Å; F447-T449 VanDerWaalsContact C-N 3.31Å; F447-T449 PolarHBondContact O-N 3.49Å; T449-I452 PolarHBondContact O-N 3.47Å; T449-Y453 WeakPolarHBondContact O-CB 3.35Å; T449-Y453 PolarHBondContact O-N 3.44Å
450	V	97.3	Very high	94.2	Very high	76 Å²	76	107.2 Å²	107.2	46%	0.461	54%	0.542	S	S	.	.	H	α-helix	trans	-61.7	-44.5	174	173	0	0	0	0	111	L446 F447 I452 Y453 V454	L446-V450 WeakPolarHBondContact O-CG2 3.19Å; L446-V450 PolarHBondContact O-N 2.98Å; F447-V450 PolarHBondContact O-N 2.84Å; V450-I452 VanDerWaalsContact C-N 3.33Å; V450-I452 PolarHBondContact O-N 3.48Å; V450-Y453 PolarHBondContact O-N 2.92Å; V450-V454 HydrophobicContact CG1-CG1 4.35Å; V450-V454 WeakPolarHBondContact O-CG1 3.46Å; V450-V454 WeakPolarHBondContact O-CG2 3.23Å; V450-V454 PolarHBondContact O-N 2.97Å
451	I	96.6	Very high	93.8	Very high	93 Å²	93	108.8 Å²	108.8	48%	0.477	55%	0.552	S	S	.	*	H	α-helix	trans	-58.9	-45.2	176.8	-70.1	166.2	0	0	0	110.8	F447 F448 V454 R455	F447-I451 VanDerWaalsContact O-CG1 3.32Å; F447-I451 WeakPolarHBondContact O-CG1 3.12Å; F447-I451 PolarHBondContact O-N 2.85Å; F448-I451 PolarHBondContact O-N 3.18Å; I451-V454 WeakPolarHBondContact O-CG2 3.45Å; I451-R455 WeakPolarHBondContact O-CG 3.43Å; I451-R455 PolarHBondContact O-N 2.97Å
452	I	96.3	Very high	93.2	Very high	79 Å²	79	114.1 Å²	114.1	41%	0.405	57%	0.567	S	S	.	*	H	α-helix	trans	-60.7	-50.6	175.3	-71.4	169.6	0	0	0	109.6	F448 T449 V450 V454 R455 L456	F448-I452 HydrophobicContact CD1-CD1 3.65Å; F448-I452 HydrophobicContact CD1-CG1 4.42Å; F448-I452 HydrophobicContact CE1-CD1 3.35Å; F448-I452 HydrophobicContact CE1-CG1 4.19Å; F448-I452 HydrophobicContact CZ-CD1 4.05Å; F448-I452 WeakPolarHBondContact O-CG1 3.45Å; F448-I452 PolarHBondContact O-N 2.88Å; T449-I452 PolarHBondContact O-N 3.47Å; V450-I452 VanDerWaalsContact C-N 3.33Å; V450-I452 PolarHBondContact O-N 3.48Å; I452-V454 PolarHBondContact O-N 3.13Å; I452-R455 PolarHBondContact O-N 2.74Å; I452-L456 HydrophobicContact CG2-CD1 3.68Å; I452-L456 HydrophobicContact CG2-CG 4.25Å; I452-L456 WeakPolarHBondContact O-CG 3.17Å; I452-L456 PolarHBondContact O-N 3.38Å
453	Y	95.8	Very high	92.7	Very high	164 Å²	164	115.2 Å²	115.2	64%	0.643	56%	0.564	S	S	*	*	H	α-helix	trans	-57.1	-46.1	-176.4	-177.7	-103.3	0	0	0	112.7	T449 V450 R455 L456	T449-Y453 WeakPolarHBondContact O-CB 3.35Å; T449-Y453 PolarHBondContact O-N 3.44Å; V450-Y453 PolarHBondContact O-N 2.92Å; Y453-R455 PolarHBondContact O-N 3.28Å; Y453-L456 PolarHBondContact O-N 3.25Å
454	V	94.5	Very high	92	Very high	100 Å²	100	113.8 Å²	113.8	61%	0.606	57%	0.567	S	S	*	*	H	α-helix	trans	-72.2	-11.1	179.3	-58.1	0	0	0	0	114	V450 I451 I452	V450-V454 HydrophobicContact CG1-CG1 4.35Å; V450-V454 WeakPolarHBondContact O-CG1 3.46Å; V450-V454 WeakPolarHBondContact O-CG2 3.23Å; V450-V454 PolarHBondContact O-N 2.97Å; I451-V454 WeakPolarHBondContact O-CG2 3.45Å; I452-V454 PolarHBondContact O-N 3.13Å
455	R	92.8	Very high	91.4	Very high	204 Å²	204	108.9 Å²	108.9	77%	0.77	56%	0.558	S	S	*	*	H	α-helix	trans	-97.7	-8.2	175.9	-65.6	-65.4	-178.6	92.1	0.9	112.8	I451 I452 Y453	I451-R455 WeakPolarHBondContact O-CG 3.43Å; I451-R455 PolarHBondContact O-N 2.97Å; I452-R455 PolarHBondContact O-N 2.74Å; Y453-R455 PolarHBondContact O-N 3.28Å
456	L	92	Very high	90.7	Very high	83 Å²	83	105.1 Å²	105.1	44%	0.435	54%	0.543	S	S	.	.			trans	-92.8	107.6	176	-65	172.4	0	0	0	109.2	I452 Y453 F458	I452-L456 HydrophobicContact CG2-CD1 3.68Å; I452-L456 HydrophobicContact CG2-CG 4.25Å; I452-L456 WeakPolarHBondContact O-CG 3.17Å; I452-L456 PolarHBondContact O-N 3.38Å; Y453-L456 PolarHBondContact O-N 3.25Å; L456-F458 VanDerWaalsContact C-N 3.32Å; L456-F458 HydrophobicContact CB-CD1 4.44Å; L456-F458 HydrophobicContact CB-CD2 3.87Å; L456-F458 HydrophobicContact CB-CE1 4.21Å; L456-F458 HydrophobicContact CB-CE2 3.62Å; L456-F458 HydrophobicContact CB-CG 4.29Å; L456-F458 HydrophobicContact CB-CZ 3.83Å; L456-F458 HydrophobicContact CD1-CE1 4.29Å; L456-F458 HydrophobicContact CD1-CE2 3.79Å; L456-F458 HydrophobicContact CD1-CZ 3.49Å; L456-F458 VanDerWaalsContact CD1-CZ 3.49Å; L456-F458 HydrophobicContact CG-CE2 4.32Å; L456-F458 HydrophobicContact CG-CZ 4.15Å; L456-F458 PolarHBondContact O-N 3.27Å
457	D	83.4	Confident	90.1	Very high	102 Å²	102	104.5 Å²	104.5	55%	0.545	54%	0.538	S	S	.	.			trans	-63.5	-37.1	-178.2	-169.4	-2.9	0	0	0	111.5	A459 K462	D457-A459 PolarHBondContact O-N 3.09Å; D457-A459 VanDerWaalsContact OD1-CB 3.31Å; D457-A459 WeakPolarHBondContact OD1-CB 3.35Å; D457-K462 WeakPolarHBondContact OD2-CE 3.37Å; D457-K462 IonicContact OD2-NZ 3.53Å; D457-K462 PolarHBondContact OD2-NZ 3.23Å
458	F	87.9	Confident	89.6	Confident	154 Å²	154	100.8 Å²	100.8	68%	0.675	53%	0.525	S	S	*	.			trans	42.4	10.9	-176.3	-67	-43.7	0	0	0	116.5	L456 I460	L456-F458 VanDerWaalsContact C-N 3.32Å; L456-F458 HydrophobicContact CB-CD1 4.44Å; L456-F458 HydrophobicContact CB-CD2 3.87Å; L456-F458 HydrophobicContact CB-CE1 4.21Å; L456-F458 HydrophobicContact CB-CE2 3.62Å; L456-F458 HydrophobicContact CB-CG 4.29Å; L456-F458 HydrophobicContact CB-CZ 3.83Å; L456-F458 HydrophobicContact CD1-CE1 4.29Å; L456-F458 HydrophobicContact CD1-CE2 3.79Å; L456-F458 HydrophobicContact CD1-CZ 3.49Å; L456-F458 VanDerWaalsContact CD1-CZ 3.49Å; L456-F458 HydrophobicContact CG-CE2 4.32Å; L456-F458 HydrophobicContact CG-CZ 4.15Å; L456-F458 PolarHBondContact O-N 3.27Å; F458-I460 PolarHBondContact O-N 3.4Å
459	A	86.7	Confident	89.1	Confident	50 Å²	50	103.3 Å²	103.3	41%	0.413	53%	0.532	S	S	.	.			trans	-75.7	125.3	-178.8	0	0	0	0	0	110.6	D457	D457-A459 PolarHBondContact O-N 3.09Å; D457-A459 VanDerWaalsContact OD1-CB 3.31Å; D457-A459 WeakPolarHBondContact OD1-CB 3.35Å
460	I	84.3	Confident	88.6	Confident	170 Å²	170	106.6 Å²	106.6	87%	0.872	54%	0.544	S	S	*	.	S	Bend	trans	-76	-36.3	175.6	-59.8	172	0	0	0	110.3	F458	F458-I460 PolarHBondContact O-N 3.4Å
461	T	87.8	Confident	88.2	Confident	123 Å²	123	107 Å²	107	76%	0.755	54%	0.539	S	S	*	.	S	Bend	trans	-132.8	128.5	175.4	53	0	0	0	0	109.5
462	K	83.3	Confident	87.9	Confident	142 Å²	142	103.6 Å²	103.6	62%	0.617	52%	0.522	S	S	*	.			trans	-85.6	132.2	178.4	-62.5	-167.9	173.7	-147.5	0	110.8	D457 P464	D457-K462 WeakPolarHBondContact OD2-CE 3.37Å; D457-K462 IonicContact OD2-NZ 3.53Å; D457-K462 PolarHBondContact OD2-NZ 3.23Å; K462-P464 VanDerWaalsContact O-CD 3.27Å; K462-P464 WeakPolarHBondContact O-CD 3.45Å
463	D	86.8	Confident	87.6	Confident	86 Å²	86	102.7 Å²	102.7	46%	0.46	53%	0.527	S	S	.	.			trans	-88.2	105.5	171.4	176.2	11.9	0	0	0	109.8	A465 A466 E467 R469	D463-A465 PolarHBondContact O-N 3.06Å; D463-A465 WeakPolarHBondContact OD1-CB 3.36Å; D463-A465 PolarHBondContact OD1-N 3.48Å; D463-A466 HydrophobicContact CB-CB 4.05Å; D463-A466 PolarHBondContact O-N 3.17Å; D463-A466 WeakPolarHBondContact OD2-CB 3.42Å; D463-A466 PolarHBondContact OD2-N 3.08Å; D463-E467 PolarHBondContact O-N 2.87Å; D463-R469 IonicContact OD2-NH2 3.5Å
464	P	82.9	Confident	87.4	Confident	91 Å²	91	97.5 Å²	97.5	59%	0.591	52%	0.515	S	S	*	.	H	α-helix	trans	-63.3	-28.2	-179.3	26.5	-34.3	0	0	0	112.6	K462 E467 V468	K462-P464 VanDerWaalsContact O-CD 3.27Å; K462-P464 WeakPolarHBondContact O-CD 3.45Å; P464-E467 PolarHBondContact O-N 2.96Å; P464-V468 WeakPolarHBondContact O-CG2 3.42Å; P464-V468 PolarHBondContact O-N 3.27Å; P464-V468 VanDerWaalsContact O-N 3.09Å
465	A	83.6	Confident	87.2	Confident	49 Å²	49	92.9 Å²	92.9	41%	0.405	49%	0.487	S	S	.	.	H	α-helix	trans	-70.9	-36.4	179.2	0	0	0	0	0	111.6	D463 R469	D463-A465 PolarHBondContact O-N 3.06Å; D463-A465 WeakPolarHBondContact OD1-CB 3.36Å; D463-A465 PolarHBondContact OD1-N 3.48Å; A465-R469 WeakPolarHBondContact O-CG 2.99Å; A465-R469 PolarHBondContact O-N 3.3Å
466	A	84	Confident	87.2	Confident	30 Å²	30	83.8 Å²	83.8	25%	0.248	45%	0.454	C	S	.	.	H	α-helix	trans	-66.2	-39.6	173.3	0	0	0	0	0	112.3	D463 R469 M470	D463-A466 HydrophobicContact CB-CB 4.05Å; D463-A466 PolarHBondContact O-N 3.17Å; D463-A466 WeakPolarHBondContact OD2-CB 3.42Å; D463-A466 PolarHBondContact OD2-N 3.08Å; A466-R469 PolarHBondContact O-N 3.25Å; A466-M470 PolarHBondContact O-N 3.19Å
467	E	84.9	Confident	87.2	Confident	88 Å²	88	86.2 Å²	86.2	41%	0.411	46%	0.463	S	S	.	.	H	α-helix	trans	-64.6	-42.6	178	-166.4	-173.8	149.5	0	0	111.9	D463 P464 R469 M470 K471	D463-E467 PolarHBondContact O-N 2.87Å; P464-E467 PolarHBondContact O-N 2.96Å; E467-R469 VanDerWaalsContact C-N 3.35Å; E467-R469 PolarHBondContact O-N 3.02Å; E467-M470 PolarHBondContact O-N 3.21Å; E467-K471 WeakPolarHBondContact O-CG 3.45Å; E467-K471 PolarHBondContact O-N 3.37Å; E467-K471 WeakPolarHBondContact OE1-CE 3.15Å; E467-K471 IonicContact OE1-NZ 2.63Å; E467-K471 PolarHBondContact OE1-NZ 3.47Å
468	V	86.5	Confident	87.6	Confident	53 Å²	53	85.2 Å²	85.2	32%	0.321	46%	0.455	S	S	.	.	H	α-helix	trans	-60.9	-43.7	174.6	172.9	0	0	0	0	110.7	P464 M470 K471 V472 E537	P464-V468 WeakPolarHBondContact O-CG2 3.42Å; P464-V468 PolarHBondContact O-N 3.27Å; P464-V468 VanDerWaalsContact O-N 3.09Å; V468-M470 VanDerWaalsContact C-N 3.32Å; V468-M470 PolarHBondContact O-N 3.26Å; V468-K471 PolarHBondContact O-N 2.97Å; V468-V472 HydrophobicContact CG1-CG2 4.3Å; V468-V472 WeakPolarHBondContact O-CB 3.42Å; V468-V472 VanDerWaalsContact O-CG2 3.31Å; V468-V472 WeakPolarHBondContact O-CG2 3.25Å; V468-V472 PolarHBondContact O-N 3.1Å; V468-E537 HydrophobicContact CG1-CB 4.47Å
469	R	87.1	Confident	87.9	Confident	156 Å²	156	77.9 Å²	77.9	59%	0.589	42%	0.423	S	S	*	.	H	α-helix	trans	-58.1	-42.3	175	-72.8	-171.3	-61.9	-93.6	2	112.4	D463 A465 A466 E467 V472 A473	D463-R469 IonicContact OD2-NH2 3.5Å; A465-R469 WeakPolarHBondContact O-CG 2.99Å; A465-R469 PolarHBondContact O-N 3.3Å; A466-R469 PolarHBondContact O-N 3.25Å; E467-R469 VanDerWaalsContact C-N 3.35Å; E467-R469 PolarHBondContact O-N 3.02Å; R469-V472 PolarHBondContact O-N 2.72Å; R469-A473 WeakPolarHBondContact O-CB 3.31Å; R469-A473 PolarHBondContact O-N 3.26Å
470	M	87.3	Confident	88.2	Confident	146 Å²	146	78.6 Å²	78.6	72%	0.719	42%	0.419	S	S	*	.	H	α-helix	trans	-65.3	-42.4	177	-72.8	-178.1	160.7	0	0	112.6	A466 E467 V468 A473 S474	A466-M470 PolarHBondContact O-N 3.19Å; E467-M470 PolarHBondContact O-N 3.21Å; V468-M470 VanDerWaalsContact C-N 3.32Å; V468-M470 PolarHBondContact O-N 3.26Å; M470-A473 PolarHBondContact O-N 2.72Å; M470-S474 PolarHBondContact O-N 2.99Å
471	K	88.3	Confident	88.6	Confident	85 Å²	85	74.7 Å²	74.7	37%	0.37	40%	0.403	S	S	.	.	H	α-helix	trans	-62.1	-45.3	175.6	-73.1	174.4	-175.4	164.2	0	111.5	E467 V468 S474 I475	E467-K471 WeakPolarHBondContact O-CG 3.45Å; E467-K471 PolarHBondContact O-N 3.37Å; E467-K471 WeakPolarHBondContact OE1-CE 3.15Å; E467-K471 IonicContact OE1-NZ 2.63Å; E467-K471 PolarHBondContact OE1-NZ 3.47Å; V468-K471 PolarHBondContact O-N 2.97Å; K471-S474 PolarHBondContact O-N 3.4Å; K471-I475 WeakPolarHBondContact O-CD1 3.48Å; K471-I475 VanDerWaalsContact O-CG1 3.25Å; K471-I475 WeakPolarHBondContact O-CG1 3.5Å; K471-I475 PolarHBondContact O-N 3.3Å
472	V	90.2	Very high	88.9	Confident	20 Å²	20	70 Å²	70	12%	0.121	37%	0.373	C	S	.	.	H	α-helix	trans	-59.9	-48.4	176.6	170.9	0	0	0	0	110.4	V468 R469 S474 I475 T476 L534 E537 L541	V468-V472 HydrophobicContact CG1-CG2 4.3Å; V468-V472 WeakPolarHBondContact O-CB 3.42Å; V468-V472 VanDerWaalsContact O-CG2 3.31Å; V468-V472 WeakPolarHBondContact O-CG2 3.25Å; V468-V472 PolarHBondContact O-N 3.1Å; R469-V472 PolarHBondContact O-N 2.72Å; V472-S474 PolarHBondContact O-N 2.9Å; V472-I475 PolarHBondContact O-N 3.24Å; V472-T476 WeakPolarHBondContact O-CB 3.41Å; V472-T476 PolarHBondContact O-N 3.01Å; V472-T476 PolarHBondContact O-OG1 3.3Å; V472-L534 HydrophobicContact CG1-CD2 4.12Å; V472-E537 HydrophobicContact CG2-CB 4Å; V472-L541 HydrophobicContact CG1-CD1 3.82Å
473	A	89.4	Confident	89.4	Confident	60 Å²	60	63.2 Å²	63.2	50%	0.496	34%	0.344	S	S	.	.	H	α-helix	trans	-57.8	-45.3	177.6	0	0	0	0	0	112.7	R469 M470 I475 T476 E477	R469-A473 WeakPolarHBondContact O-CB 3.31Å; R469-A473 PolarHBondContact O-N 3.26Å; M470-A473 PolarHBondContact O-N 2.72Å; A473-I475 PolarHBondContact O-N 3.36Å; A473-T476 PolarHBondContact O-N 3.02Å; A473-E477 PolarHBondContact O-N 3.14Å
474	S	91.6	Very high	89.6	Confident	56 Å²	56	63 Å²	63	39%	0.392	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-39.5	177.7	-177.8	0	0	0	0	112.9	M470 K471 V472 Q478	M470-S474 PolarHBondContact O-N 2.99Å; K471-S474 PolarHBondContact O-N 3.4Å; V472-S474 PolarHBondContact O-N 2.9Å; S474-Q478 WeakPolarHBondContact O-CG 3.36Å; S474-Q478 PolarHBondContact O-N 3.01Å; S474-Q478 PolarHBondContact O-NE2 3.49Å
475	I	91.6	Very high	90	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.015	34%	0.342	C	S	.	.	H	α-helix	trans	-68.8	-41.3	176.8	-64.8	163.2	0	0	0	110.3	K471 V472 A473 E477 Q478 V479 L530 R533 L534 E537	K471-I475 WeakPolarHBondContact O-CD1 3.48Å; K471-I475 VanDerWaalsContact O-CG1 3.25Å; K471-I475 WeakPolarHBondContact O-CG1 3.5Å; K471-I475 PolarHBondContact O-N 3.3Å; V472-I475 PolarHBondContact O-N 3.24Å; A473-I475 PolarHBondContact O-N 3.36Å; I475-E477 PolarHBondContact O-N 3.13Å; I475-Q478 WeakPolarHBondContact O-CB 3.49Å; I475-Q478 PolarHBondContact O-N 2.88Å; I475-V479 WeakPolarHBondContact O-CG2 3.38Å; I475-V479 PolarHBondContact O-N 3.41Å; I475-L530 HydrophobicContact CG2-CB 4Å; I475-L530 HydrophobicContact CG2-CD2 4.2Å; I475-R533 HydrophobicContact CD1-CB 4.04Å; I475-L534 HydrophobicContact CB-CD2 3.76Å; I475-L534 HydrophobicContact CB-CG 4.31Å; I475-L534 HydrophobicContact CD1-CD2 4.37Å; I475-L534 HydrophobicContact CG2-CD1 4.15Å; I475-L534 HydrophobicContact CG2-CD2 3.55Å; I475-L534 HydrophobicContact CG2-CG 3.53Å; I475-E537 HydrophobicContact CD1-CG 4.44Å
476	T	90.9	Very high	90.4	Very high	12 Å²	12	63.6 Å²	63.6	7%	0.074	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-42.7	177	-60.7	0	0	0	0	112	V472 A473 Q478 V479 L480 L541 L604	V472-T476 WeakPolarHBondContact O-CB 3.41Å; V472-T476 PolarHBondContact O-N 3.01Å; V472-T476 PolarHBondContact O-OG1 3.3Å; A473-T476 PolarHBondContact O-N 3.02Å; T476-Q478 VanDerWaalsContact C-N 3.33Å; T476-Q478 PolarHBondContact O-N 3.21Å; T476-V479 WeakPolarHBondContact O-CB 3.48Å; T476-V479 PolarHBondContact O-N 3.3Å; T476-V479 VanDerWaalsContact O-N 3.15Å; T476-L480 PolarHBondContact O-N 3.2Å; T476-L541 HydrophobicContact CG2-CD1 4.49Å; T476-L541 WeakPolarHBondContact OG1-CD1 3.44Å; T476-L604 HydrophobicContact CG2-CB 3.74Å
477	E	92.2	Very high	90.7	Very high	135 Å²	135	62.6 Å²	62.6	63%	0.631	31%	0.313	S	S	*	.	H	α-helix	trans	-62.1	-39.2	176.4	-171.4	180	-176.3	0	0	112.3	A473 I475 L480 T481	A473-E477 PolarHBondContact O-N 3.14Å; I475-E477 PolarHBondContact O-N 3.13Å; E477-L480 PolarHBondContact O-N 3.28Å; E477-T481 PolarHBondContact O-N 3.13Å; E477-T481 PolarHBondContact O-OG1 3.32Å
478	Q	92.9	Very high	91	Very high	80 Å²	80	59.9 Å²	59.9	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-64	-43.1	173.2	-70.7	171.4	44.1	0	0	111.4	S474 I475 T476 T481 L482 L530	S474-Q478 WeakPolarHBondContact O-CG 3.36Å; S474-Q478 PolarHBondContact O-N 3.01Å; S474-Q478 PolarHBondContact O-NE2 3.49Å; I475-Q478 WeakPolarHBondContact O-CB 3.49Å; I475-Q478 PolarHBondContact O-N 2.88Å; T476-Q478 VanDerWaalsContact C-N 3.33Å; T476-Q478 PolarHBondContact O-N 3.21Å; Q478-T481 PolarHBondContact O-N 3.4Å; Q478-L482 WeakPolarHBondContact O-CG 3.47Å; Q478-L482 PolarHBondContact O-N 2.98Å; Q478-L530 HydrophobicContact CB-CD1 3.72Å
479	V	93.1	Very high	91.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-47.3	175.4	171.6	0	0	0	0	110.9	I475 T476 T481 L482 V483 I527 L530 V545	I475-V479 WeakPolarHBondContact O-CG2 3.38Å; I475-V479 PolarHBondContact O-N 3.41Å; T476-V479 WeakPolarHBondContact O-CB 3.48Å; T476-V479 PolarHBondContact O-N 3.3Å; T476-V479 VanDerWaalsContact O-N 3.15Å; V479-T481 VanDerWaalsContact C-N 3.3Å; V479-T481 PolarHBondContact O-N 3.46Å; V479-L482 PolarHBondContact O-N 3.15Å; V479-L482 VanDerWaalsContact O-N 3.17Å; V479-V483 HydrophobicContact CG1-CG2 4.05Å; V479-V483 VanDerWaalsContact O-CG2 3.31Å; V479-V483 WeakPolarHBondContact O-CG2 3.45Å; V479-V483 PolarHBondContact O-N 3.18Å; V479-I527 HydrophobicContact CG1-CG2 4.29Å; V479-L530 HydrophobicContact CG2-CB 3.66Å; V479-L530 HydrophobicContact CG2-CD1 3.74Å; V479-L530 HydrophobicContact CG2-CG 4.37Å; V479-V545 HydrophobicContact CG1-CG1 4.04Å; V479-V545 HydrophobicContact CG1-CG2 3.85Å; V479-V545 HydrophobicContact CG2-CG2 4.49Å
480	L	92.7	Very high	91.4	Very high	66 Å²	66	51.3 Å²	51.3	35%	0.346	27%	0.273	S	S	.	.	H	α-helix	trans	-56.3	-45.6	177.6	179.3	64.3	0	0	0	111.3	T476 E477 L482 V483 N484 L601	T476-L480 PolarHBondContact O-N 3.2Å; E477-L480 PolarHBondContact O-N 3.28Å; L480-L482 PolarHBondContact O-N 3.12Å; L480-V483 PolarHBondContact O-N 2.89Å; L480-N484 WeakPolarHBondContact O-CB 3.41Å; L480-N484 PolarHBondContact O-N 2.87Å; L480-N484 PolarHBondContact O-ND2 3.49Å; L480-L601 HydrophobicContact CD1-CB 4.17Å; L480-L601 HydrophobicContact CD1-CD1 4.14Å; L480-L601 HydrophobicContact CD1-CD2 3.8Å; L480-L601 HydrophobicContact CD1-CG 4.26Å
481	T	94	Very high	91.5	Very high	88 Å²	88	52.5 Å²	52.5	54%	0.54	27%	0.269	S	S	.	.	H	α-helix	trans	-59.6	-45.9	176.9	-58.3	0	0	0	0	111.7	E477 Q478 V479 R485	E477-T481 PolarHBondContact O-N 3.13Å; E477-T481 PolarHBondContact O-OG1 3.32Å; Q478-T481 PolarHBondContact O-N 3.4Å; V479-T481 VanDerWaalsContact C-N 3.3Å; V479-T481 PolarHBondContact O-N 3.46Å; T481-R485 PolarHBondContact O-N 3.39Å
482	L	94.2	Very high	91.6	Very high	23 Å²	23	52.7 Å²	52.7	12%	0.12	27%	0.271	C	S	.	.	H	α-helix	trans	-70.4	-38.7	-179.4	-66.2	178.8	0	0	0	112.7	Q478 V479 L480 R485 R486 L523 E526 I527 L530	Q478-L482 WeakPolarHBondContact O-CG 3.47Å; Q478-L482 PolarHBondContact O-N 2.98Å; V479-L482 PolarHBondContact O-N 3.15Å; V479-L482 VanDerWaalsContact O-N 3.17Å; L480-L482 PolarHBondContact O-N 3.12Å; L482-R485 PolarHBondContact O-N 3.07Å; L482-R486 WeakPolarHBondContact O-CB 3.49Å; L482-R486 PolarHBondContact O-N 3.42Å; L482-L523 HydrophobicContact CD2-CD2 3.76Å; L482-E526 HydrophobicContact CD1-CB 3.78Å; L482-E526 WeakPolarHBondContact CD2-OE2 3.25Å; L482-I527 HydrophobicContact CB-CD1 3.98Å; L482-I527 HydrophobicContact CB-CG1 3.68Å; L482-I527 HydrophobicContact CD1-CG1 3.9Å; L482-I527 HydrophobicContact CG-CG1 4.47Å; L482-L530 HydrophobicContact CD1-CD1 3.69Å
483	V	92.4	Very high	91.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-42.7	176.3	175.4	0	0	0	0	110.5	V479 L480 R485 R486 L487 I527 I548 I597 L601	V479-V483 HydrophobicContact CG1-CG2 4.05Å; V479-V483 VanDerWaalsContact O-CG2 3.31Å; V479-V483 WeakPolarHBondContact O-CG2 3.45Å; V479-V483 PolarHBondContact O-N 3.18Å; L480-V483 PolarHBondContact O-N 2.89Å; V483-R485 VanDerWaalsContact C-N 3.34Å; V483-R485 PolarHBondContact O-N 3.4Å; V483-R486 WeakPolarHBondContact O-CB 3.47Å; V483-R486 PolarHBondContact O-N 2.98Å; V483-R486 VanDerWaalsContact O-N 3.13Å; V483-L487 PolarHBondContact O-N 2.79Å; V483-I527 HydrophobicContact CG2-CD1 3.95Å; V483-I548 HydrophobicContact CG1-CG2 4.01Å; V483-I548 HydrophobicContact CG2-CG2 3.92Å; V483-I597 HydrophobicContact CG1-CG2 4.03Å; V483-L601 HydrophobicContact CB-CD2 4.16Å; V483-L601 HydrophobicContact CG1-CD1 3.85Å; V483-L601 HydrophobicContact CG1-CD2 3.99Å; V483-L601 HydrophobicContact CG1-CG 4.35Å; V483-L601 HydrophobicContact CG2-CD2 4.42Å
484	N	91.3	Very high	91.5	Very high	81 Å²	81	50.7 Å²	50.7	43%	0.433	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-42	174.7	-81.9	-37.3	0	0	0	112.1	L480 R486 L487 G488	L480-N484 WeakPolarHBondContact O-CB 3.41Å; L480-N484 PolarHBondContact O-N 2.87Å; L480-N484 PolarHBondContact O-ND2 3.49Å; N484-R486 VanDerWaalsContact C-N 3.28Å; N484-R486 PolarHBondContact O-N 3.03Å; N484-L487 PolarHBondContact O-N 3.27Å; N484-G488 PolarHBondContact O-N 3.42Å
485	R	92.6	Very high	91.5	Very high	152 Å²	152	52.9 Å²	52.9	57%	0.574	26%	0.255	S	S	*	.	H	α-helix	trans	-59.6	-40.4	173.8	-173.1	173.1	175.3	-172.9	-0.4	111.7	T481 L482 V483 G488 L489 L523	T481-R485 PolarHBondContact O-N 3.39Å; L482-R485 PolarHBondContact O-N 3.07Å; V483-R485 VanDerWaalsContact C-N 3.34Å; V483-R485 PolarHBondContact O-N 3.4Å; R485-G488 PolarHBondContact O-N 3.04Å; R485-L489 PolarHBondContact O-N 3.08Å; R485-L489 VanDerWaalsContact O-N 3.17Å; R485-L523 HydrophobicContact CB-CD1 4.43Å; R485-L523 HydrophobicContact CG-CD1 4.16Å; R485-L523 HydrophobicContact CG-CD2 4.47Å
486	R	91.4	Very high	91.4	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-65.9	-42.7	177.7	-167	171.8	62.6	166.6	2.1	112.6	L482 V483 N484 G488 L489 Y490 L523 D552	L482-R486 WeakPolarHBondContact O-CB 3.49Å; L482-R486 PolarHBondContact O-N 3.42Å; V483-R486 WeakPolarHBondContact O-CB 3.47Å; V483-R486 PolarHBondContact O-N 2.98Å; V483-R486 VanDerWaalsContact O-N 3.13Å; N484-R486 VanDerWaalsContact C-N 3.28Å; N484-R486 PolarHBondContact O-N 3.03Å; R486-G488 VanDerWaalsContact C-N 3.25Å; R486-G488 PolarHBondContact O-N 2.97Å; R486-L489 WeakPolarHBondContact O-CB 3.41Å; R486-L489 PolarHBondContact O-N 3.21Å; R486-L489 VanDerWaalsContact O-N 3.12Å; R486-Y490 HydrophobicContact CG-CE2 4.41Å; R486-L523 HydrophobicContact CB-CD1 3.96Å; R486-L523 HydrophobicContact CG-CD1 4.43Å; R486-D552 VanDerWaalsContact CD-CG 3.45Å; R486-D552 VanDerWaalsContact CD-OD1 3.3Å; R486-D552 WeakPolarHBondContact CD-OD1 3.42Å; R486-D552 WeakPolarHBondContact CD-OD2 3.4Å; R486-D552 WeakPolarHBondContact CG-OD1 3.48Å; R486-D552 IonicContact CZ-OD1 2.76Å; R486-D552 IonicContact CZ-OD2 2.78Å; R486-D552 IonicContact NE-OD1 3.95Å; R486-D552 PolarHBondContact NE-OD1 3.04Å; R486-D552 IonicContact NE-OD2 2.65Å; R486-D552 PolarHBondContact NE-OD2 3.37Å; R486-D552 VanDerWaalsContact NE-OD2 3.12Å; R486-D552 VanDerWaalsContact NH1-CG 3.27Å; R486-D552 IonicContact NH1-OD1 3.86Å; R486-D552 IonicContact NH1-OD2 3.63Å; R486-D552 PolarHBondContact NH1-OD2 3.42Å; R486-D552 IonicContact NH2-OD1 3.63Å; R486-D552 PolarHBondContact NH2-OD1 3.04Å; R486-D552 IonicContact NH2-OD2 3.81Å
487	L	90.1	Very high	91.3	Very high	9 Å²	9	53 Å²	53	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-36.2	172.1	-67.8	176.7	0	0	0	111.8	V483 N484 L489 Y490 R491 I594 I597	V483-L487 PolarHBondContact O-N 2.79Å; N484-L487 PolarHBondContact O-N 3.27Å; L487-L489 VanDerWaalsContact C-N 3.33Å; L487-L489 PolarHBondContact O-N 2.91Å; L487-Y490 HydrophobicContact CD2-CD2 4.27Å; L487-Y490 HydrophobicContact CD2-CE2 4.45Å; L487-Y490 PolarHBondContact O-N 3.27Å; L487-R491 PolarHBondContact O-N 3.25Å; L487-I594 HydrophobicContact CD2-CG1 4.17Å; L487-I594 HydrophobicContact CD2-CG2 4.44Å; L487-I597 HydrophobicContact CD1-CG2 4.45Å
488	G	91.1	Very high	91.2	Very high	32 Å²	32	50 Å²	50	33%	0.33	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-37.6	172.4	0	0	0	0	0	113.7	N484 R485 R486 Y490 R491 H492	N484-G488 PolarHBondContact O-N 3.42Å; R485-G488 PolarHBondContact O-N 3.04Å; R486-G488 VanDerWaalsContact C-N 3.25Å; R486-G488 PolarHBondContact O-N 2.97Å; G488-Y490 VanDerWaalsContact C-N 3.29Å; G488-Y490 PolarHBondContact O-N 2.87Å; G488-R491 PolarHBondContact O-N 3Å; G488-H492 PolarHBondContact O-N 3.43Å
489	L	92	Very high	91	Very high	24 Å²	24	52.5 Å²	52.5	13%	0.126	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-38.1	176.4	-62.8	176.3	0	0	0	112.1	R485 R486 L487 H492 M493 L516 D519 L523	R485-L489 PolarHBondContact O-N 3.08Å; R485-L489 VanDerWaalsContact O-N 3.17Å; R486-L489 WeakPolarHBondContact O-CB 3.41Å; R486-L489 PolarHBondContact O-N 3.21Å; R486-L489 VanDerWaalsContact O-N 3.12Å; L487-L489 VanDerWaalsContact C-N 3.33Å; L487-L489 PolarHBondContact O-N 2.91Å; L489-H492 PolarHBondContact O-N 3.26Å; L489-M493 WeakPolarHBondContact O-CG 3.4Å; L489-M493 PolarHBondContact O-N 3.18Å; L489-L516 HydrophobicContact CB-CD1 3.73Å; L489-D519 HydrophobicContact CD1-CB 3.67Å; L489-D519 HydrophobicContact CD2-CB 4.04Å; L489-L523 HydrophobicContact CD1-CD1 3.68Å; L489-L523 HydrophobicContact CG-CD1 4.49Å
490	Y	91	Very high	90.9	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-68.8	-38.9	179.4	-57.7	-42.7	0	0	0	112.5	R486 L487 G488 M493 D494 L516 H520 D552 V555 K556 V559	R486-Y490 HydrophobicContact CG-CE2 4.41Å; L487-Y490 HydrophobicContact CD2-CD2 4.27Å; L487-Y490 HydrophobicContact CD2-CE2 4.45Å; L487-Y490 PolarHBondContact O-N 3.27Å; G488-Y490 VanDerWaalsContact C-N 3.29Å; G488-Y490 PolarHBondContact O-N 2.87Å; Y490-M493 PolarHBondContact O-N 3.17Å; Y490-D494 PolarHBondContact O-N 3.35Å; Y490-L516 HydrophobicContact CD1-CD1 3.97Å; Y490-L516 HydrophobicContact CE1-CD1 4.08Å; Y490-H520 PolarHBondContact OH-CD2 3Å; Y490-H520 PolarHBondContact OH-NE2 3.27Å; Y490-D552 VanDerWaalsContact CE2-OD1 3.27Å; Y490-D552 WeakPolarHBondContact CE2-OD1 3.26Å; Y490-D552 PolarHBondContact OH-O 2.73Å; Y490-D552 PolarHBondContact OH-OD1 3.39Å; Y490-D552 PolarHBondContact OH-OD2 2.63Å; Y490-V555 HydrophobicContact CD2-CB 4.5Å; Y490-V555 HydrophobicContact CD2-CG1 3.4Å; Y490-V555 HydrophobicContact CE2-CB 4.04Å; Y490-V555 HydrophobicContact CE2-CG1 3.38Å; Y490-V555 HydrophobicContact CG-CG1 4Å; Y490-K556 HydrophobicContact CE1-CB 4.03Å; Y490-V559 HydrophobicContact CD1-CB 4.26Å; Y490-V559 HydrophobicContact CD1-CG1 4.3Å; Y490-V559 HydrophobicContact CD1-CG2 3.77Å; Y490-V559 HydrophobicContact CG-CG2 3.99Å
491	R	89.5	Confident	90.6	Very high	171 Å²	171	52.5 Å²	52.5	65%	0.645	25%	0.248	S	C	*	.	H	α-helix	trans	-63.3	-43.7	173.7	-63.5	179.5	-173.7	163.9	3.1	111	L487 G488 M493 D494 E495	L487-R491 PolarHBondContact O-N 3.25Å; G488-R491 PolarHBondContact O-N 3Å; R491-M493 VanDerWaalsContact C-N 3.27Å; R491-M493 PolarHBondContact O-N 3.37Å; R491-D494 WeakPolarHBondContact O-CB 3.31Å; R491-D494 PolarHBondContact O-N 2.91Å; R491-D494 VanDerWaalsContact O-N 3.17Å; R491-E495 PolarHBondContact O-N 2.87Å
492	H	90.3	Very high	90.4	Very high	89 Å²	89	56.2 Å²	56.2	41%	0.412	26%	0.259	S	S	.	.	H	α-helix	trans	-59.8	-40.7	175.1	-176.1	62.2	0	0	0	111.8	G488 L489 D494 E495 V496	G488-H492 PolarHBondContact O-N 3.43Å; L489-H492 PolarHBondContact O-N 3.26Å; H492-D494 VanDerWaalsContact C-N 3.34Å; H492-D494 PolarHBondContact O-N 3Å; H492-E495 IonicContact ND1-OE2 3.56Å; H492-E495 WeakPolarHBondContact O-CB 3.48Å; H492-E495 PolarHBondContact O-N 3.42Å; H492-V496 WeakPolarHBondContact O-CG2 3.34Å; H492-V496 PolarHBondContact O-N 2.86Å
493	M	89.6	Confident	90.1	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.02	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-34.4	176.6	-75.3	-62.1	-55.4	0	0	113.5	L489 Y490 R491 E495 V496 V497 R513 L516 V559	L489-M493 WeakPolarHBondContact O-CG 3.4Å; L489-M493 PolarHBondContact O-N 3.18Å; Y490-M493 PolarHBondContact O-N 3.17Å; R491-M493 VanDerWaalsContact C-N 3.27Å; R491-M493 PolarHBondContact O-N 3.37Å; M493-E495 VanDerWaalsContact C-N 3.31Å; M493-E495 PolarHBondContact O-N 3.17Å; M493-V496 PolarHBondContact O-N 3.15Å; M493-V497 WeakPolarHBondContact O-CB 3.37Å; M493-V497 VanDerWaalsContact O-CG2 3.28Å; M493-V497 WeakPolarHBondContact O-CG2 3.4Å; M493-V497 PolarHBondContact O-N 3.02Å; M493-R513 HydrophobicContact CE-CB 4.38Å; M493-L516 HydrophobicContact CE-CB 4.45Å; M493-L516 HydrophobicContact CE-CD2 4.27Å; M493-L516 HydrophobicContact CG-CB 3.75Å; M493-L516 HydrophobicContact CG-CD1 3.74Å; M493-L516 HydrophobicContact CG-CD2 3.73Å; M493-L516 HydrophobicContact CG-CG 3.89Å; M493-L516 HydrophobicContact SD-CB 3.73Å; M493-L516 HydrophobicContact SD-CD2 4.33Å; M493-L516 HydrophobicContact SD-CG 4.46Å; M493-V559 HydrophobicContact CB-CG1 3.91Å
494	D	88.1	Confident	89.9	Confident	34 Å²	34	67.3 Å²	67.3	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-40.1	172	-71.7	-27.1	0	0	0	112	Y490 R491 H492 V497 N498 R590	Y490-D494 PolarHBondContact O-N 3.35Å; R491-D494 WeakPolarHBondContact O-CB 3.31Å; R491-D494 PolarHBondContact O-N 2.91Å; R491-D494 VanDerWaalsContact O-N 3.17Å; H492-D494 VanDerWaalsContact C-N 3.34Å; H492-D494 PolarHBondContact O-N 3Å; D494-V497 PolarHBondContact O-N 3.22Å; D494-N498 WeakPolarHBondContact O-CB 3.34Å; D494-N498 VanDerWaalsContact O-CG 3.26Å; D494-N498 PolarHBondContact O-N 3.44Å; D494-N498 PolarHBondContact O-ND2 2.92Å; D494-R590 IonicContact OD1-CZ 2.84Å; D494-R590 IonicContact OD1-NH1 3.8Å; D494-R590 PolarHBondContact OD1-NH1 3.3Å; D494-R590 IonicContact OD1-NH2 3.8Å; D494-R590 IonicContact OD2-CZ 3.79Å; D494-R590 IonicContact OD2-NH1 3.95Å; D494-R590 PolarHBondContact OD2-NH1 3.27Å; D494-R590 IonicContact OD2-NH2 3.13Å; D494-R590 PolarHBondContact OD2-NH2 3.05Å
495	E	89.6	Confident	89.8	Confident	102 Å²	102	67.2 Å²	67.2	48%	0.477	31%	0.31	S	S	.	.	H	α-helix	trans	-64.5	-41	174.6	-64.7	175.7	-176.1	0	0	112.2	R491 H492 M493 N498 R499	R491-E495 PolarHBondContact O-N 2.87Å; H492-E495 IonicContact ND1-OE2 3.56Å; H492-E495 WeakPolarHBondContact O-CB 3.48Å; H492-E495 PolarHBondContact O-N 3.42Å; M493-E495 VanDerWaalsContact C-N 3.31Å; M493-E495 PolarHBondContact O-N 3.17Å; E495-N498 PolarHBondContact O-N 2.83Å; E495-R499 WeakPolarHBondContact O-CB 3.5Å; E495-R499 WeakPolarHBondContact O-CG 3.39Å; E495-R499 PolarHBondContact O-N 3.32Å; E495-R499 IonicContact OE2-NH2 2.78Å
496	V	90.1	Very high	89.5	Confident	13 Å²	13	63.7 Å²	63.7	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-43.9	176.2	174.1	0	0	0	0	110.3	H492 M493 R499 Y500 L509	H492-V496 WeakPolarHBondContact O-CG2 3.34Å; H492-V496 PolarHBondContact O-N 2.86Å; M493-V496 PolarHBondContact O-N 3.15Å; V496-R499 PolarHBondContact O-N 3.36Å; V496-Y500 WeakPolarHBondContact O-CB 3.39Å; V496-Y500 PolarHBondContact O-N 2.95Å; V496-L509 HydrophobicContact CG1-CD1 4.04Å
497	V	89.6	Confident	89.3	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.024	33%	0.326	C	S	.	.	H	α-helix	trans	-63.7	-42.3	176.3	169.1	0	0	0	0	111.2	M493 D494 Y500 K501 L509 C563 A566	M493-V497 WeakPolarHBondContact O-CB 3.37Å; M493-V497 VanDerWaalsContact O-CG2 3.28Å; M493-V497 WeakPolarHBondContact O-CG2 3.4Å; M493-V497 PolarHBondContact O-N 3.02Å; D494-V497 PolarHBondContact O-N 3.22Å; V497-Y500 WeakPolarHBondContact O-CB 3.43Å; V497-Y500 PolarHBondContact O-N 3.17Å; V497-K501 WeakPolarHBondContact O-CG 3.36Å; V497-K501 PolarHBondContact O-N 2.96Å; V497-L509 HydrophobicContact CG2-CD1 4Å; V497-C563 HydrophobicContact CG2-CB 4Å; V497-A566 HydrophobicContact CG1-CB 3.6Å
498	N	89	Confident	89.1	Confident	74 Å²	74	67.2 Å²	67.2	40%	0.396	34%	0.34	S	S	.	.	H	α-helix	trans	-66.9	-39.9	177.7	-75.4	-28.4	0	0	0	112.6	D494 E495 Y500 K501 Q502	D494-N498 WeakPolarHBondContact O-CB 3.34Å; D494-N498 VanDerWaalsContact O-CG 3.26Å; D494-N498 PolarHBondContact O-N 3.44Å; D494-N498 PolarHBondContact O-ND2 2.92Å; E495-N498 PolarHBondContact O-N 2.83Å; N498-Y500 VanDerWaalsContact C-N 3.34Å; N498-K501 PolarHBondContact O-N 3.06Å; N498-K501 PolarHBondContact OD1-NZ 2.67Å; N498-Q502 PolarHBondContact O-N 2.98Å
499	R	89.4	Confident	89	Confident	131 Å²	131	65.8 Å²	65.8	49%	0.494	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-44.4	171.5	-82.1	-176.6	-98.4	173.3	-11.3	111.2	E495 V496 K501 Q502 S503	E495-R499 WeakPolarHBondContact O-CB 3.5Å; E495-R499 WeakPolarHBondContact O-CG 3.39Å; E495-R499 PolarHBondContact O-N 3.32Å; E495-R499 IonicContact OE2-NH2 2.78Å; V496-R499 PolarHBondContact O-N 3.36Å; R499-K501 VanDerWaalsContact C-N 3.33Å; R499-K501 PolarHBondContact O-N 2.94Å; R499-Q502 PolarHBondContact O-N 3.34Å; R499-S503 PolarHBondContact O-N 3.49Å; R499-S503 PolarHBondContact O-OG 3.05Å; R499-S503 VanDerWaalsContact O-OG 3.05Å
500	Y	91	Very high	88.9	Confident	15 Å²	15	67.3 Å²	67.3	6%	0.059	33%	0.333	C	S	.	.	H	α-helix	trans	-58.2	-41.6	177	170.8	-106.1	0	0	0	112.9	V496 V497 N498 Q502 R504 D505 T506 L509 A566 E567 V570	V496-Y500 WeakPolarHBondContact O-CB 3.39Å; V496-Y500 PolarHBondContact O-N 2.95Å; V497-Y500 WeakPolarHBondContact O-CB 3.43Å; V497-Y500 PolarHBondContact O-N 3.17Å; N498-Y500 VanDerWaalsContact C-N 3.34Å; Y500-Q502 PolarHBondContact O-N 3.44Å; Y500-R504 VanDerWaalsContact O-CA 3.31Å; Y500-R504 WeakPolarHBondContact O-CA 3.49Å; Y500-R504 PolarHBondContact O-N 2.91Å; Y500-D505 WeakPolarHBondContact CD2-O 3.48Å; Y500-T506 HydrophobicContact CE2-CG2 3.76Å; Y500-L509 HydrophobicContact CD1-CD2 3.72Å; Y500-L509 HydrophobicContact CD2-CB 3.99Å; Y500-L509 HydrophobicContact CD2-CD2 3.98Å; Y500-L509 HydrophobicContact CE1-CD2 3.85Å; Y500-L509 HydrophobicContact CE2-CD2 4.11Å; Y500-L509 HydrophobicContact CG-CB 4.15Å; Y500-L509 HydrophobicContact CG-CD1 4.27Å; Y500-L509 HydrophobicContact CG-CD2 3.77Å; Y500-L509 HydrophobicContact CG-CG 4.29Å; Y500-A566 HydrophobicContact CD1-CB 4.5Å; Y500-E567 HydrophobicContact CE1-CG 4.15Å; Y500-V570 HydrophobicContact CD1-CG2 4.15Å; Y500-V570 HydrophobicContact CE1-CB 3.84Å; Y500-V570 HydrophobicContact CE1-CG1 4.3Å; Y500-V570 HydrophobicContact CE1-CG2 3.65Å
501	K	87.2	Confident	88.8	Confident	52 Å²	52	70.1 Å²	70.1	23%	0.226	35%	0.353	C	S	.	.	H	α-helix	trans	-57.8	-31.2	175.4	-68.5	170.6	-173.8	173.3	0	112.8	V497 N498 R499 A566 Y579 E583	V497-K501 WeakPolarHBondContact O-CG 3.36Å; V497-K501 PolarHBondContact O-N 2.96Å; N498-K501 PolarHBondContact O-N 3.06Å; N498-K501 PolarHBondContact OD1-NZ 2.67Å; R499-K501 VanDerWaalsContact C-N 3.33Å; R499-K501 PolarHBondContact O-N 2.94Å; K501-A566 HydrophobicContact CG-CB 4.5Å; K501-Y579 WeakPolarHBondContact CE-OH 3.43Å; K501-Y579 PolarHBondContact NZ-OH 3.04Å; K501-E583 IonicContact NZ-OE1 3.7Å; K501-E583 PolarHBondContact NZ-OE1 3.21Å; K501-E583 IonicContact NZ-OE2 3.59Å
502	Q	88.5	Confident	88.8	Confident	166 Å²	166	62.3 Å²	62.3	78%	0.776	33%	0.326	S	S	*	.	H	α-helix	trans	-89.4	-47.8	-178.5	-62.9	174.4	8.7	0	0	112.4	N498 R499 Y500	N498-Q502 PolarHBondContact O-N 2.98Å; R499-Q502 PolarHBondContact O-N 3.34Å; Y500-Q502 PolarHBondContact O-N 3.44Å
503	S	88.4	Confident	88.8	Confident	73 Å²	73	62.3 Å²	62.3	51%	0.51	32%	0.322	S	S	.	.	H	α-helix	trans	-89.8	-20	-171.8	68	0	0	0	0	114.2	R499 D505	R499-S503 PolarHBondContact O-N 3.49Å; R499-S503 PolarHBondContact O-OG 3.05Å; R499-S503 VanDerWaalsContact O-OG 3.05Å; S503-D505 PolarHBondContact O-N 3.45Å; S503-D505 WeakPolarHBondContact OG-CB 3.48Å; S503-D505 PolarHBondContact OG-N 2.83Å
504	R	87.4	Confident	88.8	Confident	182 Å²	182	69.4 Å²	69.4	69%	0.687	35%	0.353	S	S	*	.			trans	57.8	19.4	-170.2	-53	-173.9	172	-178.4	-3.4	114.4	Y500 T506 V570	Y500-R504 VanDerWaalsContact O-CA 3.31Å; Y500-R504 WeakPolarHBondContact O-CA 3.49Å; Y500-R504 PolarHBondContact O-N 2.91Å; R504-T506 PolarHBondContact O-N 3.17Å; R504-V570 HydrophobicContact CB-CG1 4.24Å; R504-V570 HydrophobicContact CG-CG1 3.81Å
505	D	89.4	Confident	88.9	Confident	79 Å²	79	71.1 Å²	71.1	42%	0.422	37%	0.365	S	S	.	.			trans	-76	95.1	179.6	-175.7	-6.2	0	0	0	111.6	Y500 S503 G507 A508 L509	Y500-D505 WeakPolarHBondContact CD2-O 3.48Å; S503-D505 PolarHBondContact O-N 3.45Å; S503-D505 WeakPolarHBondContact OG-CB 3.48Å; S503-D505 PolarHBondContact OG-N 2.83Å; D505-G507 PolarHBondContact O-N 3.1Å; D505-G507 WeakPolarHBondContact OD1-CA 3.44Å; D505-G507 PolarHBondContact OD1-N 3.36Å; D505-A508 HydrophobicContact CB-CB 4.19Å; D505-A508 PolarHBondContact OD1-N 3.02Å; D505-A508 VanDerWaalsContact OD1-N 3.09Å; D505-A508 WeakPolarHBondContact OD2-CB 3.45Å; D505-L509 PolarHBondContact O-N 3.46Å
506	T	86.3	Confident	89	Confident	78 Å²	78	66.6 Å²	66.6	48%	0.479	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-22.8	176.7	56.7	0	0	0	0	113.4	Y500 R504 N510	Y500-T506 HydrophobicContact CE2-CG2 3.76Å; R504-T506 PolarHBondContact O-N 3.17Å; T506-N510 WeakPolarHBondContact O-CB 3.46Å; T506-N510 PolarHBondContact O-N 3.46Å; T506-N510 VanDerWaalsContact O-N 3.16Å; T506-N510 PolarHBondContact O-ND2 3.01Å
507	G	87.5	Confident	89.1	Confident	42 Å²	42	71.4 Å²	71.4	43%	0.433	37%	0.366	S	S	.	.	H	α-helix	trans	-68.6	-48.4	177.1	0	0	0	0	0	111.1	D505 L509 N510 S511	D505-G507 PolarHBondContact O-N 3.1Å; D505-G507 WeakPolarHBondContact OD1-CA 3.44Å; D505-G507 PolarHBondContact OD1-N 3.36Å; G507-L509 PolarHBondContact O-N 3.34Å; G507-N510 PolarHBondContact O-N 2.83Å; G507-S511 PolarHBondContact O-N 3.29Å; G507-S511 PolarHBondContact O-OG 3.01Å
508	A	86.3	Confident	89.3	Confident	43 Å²	43	73.7 Å²	73.7	36%	0.355	39%	0.385	S	S	.	.	H	α-helix	trans	-63.8	-36.5	177.3	0	0	0	0	0	113.3	D505 S511 G512	D505-A508 HydrophobicContact CB-CB 4.19Å; D505-A508 PolarHBondContact OD1-N 3.02Å; D505-A508 VanDerWaalsContact OD1-N 3.09Å; D505-A508 WeakPolarHBondContact OD2-CB 3.45Å; A508-S511 WeakPolarHBondContact CA-OG 3.35Å; A508-S511 PolarHBondContact O-OG 3.47Å; A508-G512 PolarHBondContact O-N 3.1Å
509	L	88.7	Confident	89.4	Confident	1 Å²	1	73 Å²	73	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-67.2	-44.1	176.2	-172.9	67.6	0	0	0	111.9	V496 V497 Y500 D505 G507 G512 R513 E567	V496-L509 HydrophobicContact CG1-CD1 4.04Å; V497-L509 HydrophobicContact CG2-CD1 4Å; Y500-L509 HydrophobicContact CD1-CD2 3.72Å; Y500-L509 HydrophobicContact CD2-CB 3.99Å; Y500-L509 HydrophobicContact CD2-CD2 3.98Å; Y500-L509 HydrophobicContact CE1-CD2 3.85Å; Y500-L509 HydrophobicContact CE2-CD2 4.11Å; Y500-L509 HydrophobicContact CG-CB 4.15Å; Y500-L509 HydrophobicContact CG-CD1 4.27Å; Y500-L509 HydrophobicContact CG-CD2 3.77Å; Y500-L509 HydrophobicContact CG-CG 4.29Å; D505-L509 PolarHBondContact O-N 3.46Å; G507-L509 PolarHBondContact O-N 3.34Å; L509-G512 PolarHBondContact O-N 3.09Å; L509-R513 WeakPolarHBondContact O-CB 3.18Å; L509-R513 PolarHBondContact O-N 3.35Å; L509-E567 HydrophobicContact CD2-CG 3.51Å
510	N	89.5	Confident	89.6	Confident	56 Å²	56	67.4 Å²	67.4	30%	0.299	36%	0.361	S	S	.	.	H	α-helix	trans	-68	-38.2	179.6	-81.7	-52.3	0	0	0	112.5	T506 G507 R513 K514	T506-N510 WeakPolarHBondContact O-CB 3.46Å; T506-N510 PolarHBondContact O-N 3.46Å; T506-N510 VanDerWaalsContact O-N 3.16Å; T506-N510 PolarHBondContact O-ND2 3.01Å; G507-N510 PolarHBondContact O-N 2.83Å; N510-R513 PolarHBondContact OD1-NH2 3.01Å; N510-K514 WeakPolarHBondContact O-CG 3.44Å; N510-K514 PolarHBondContact O-N 3.36Å
511	S	90	Very high	89.8	Confident	63 Å²	63	76 Å²	76	44%	0.441	39%	0.393	S	S	.	.	H	α-helix	trans	-67.1	-43.2	174.2	63.2	0	0	0	0	111.5	G507 A508 R513 K514 T515	G507-S511 PolarHBondContact O-N 3.29Å; G507-S511 PolarHBondContact O-OG 3.01Å; A508-S511 WeakPolarHBondContact CA-OG 3.35Å; A508-S511 PolarHBondContact O-OG 3.47Å; S511-R513 PolarHBondContact O-N 3.38Å; S511-K514 PolarHBondContact O-N 3.42Å; S511-T515 WeakPolarHBondContact O-CB 3.34Å; S511-T515 PolarHBondContact O-N 3.12Å; S511-T515 PolarHBondContact O-OG1 3.36Å
512	G	88.8	Confident	90.1	Very high	7 Å²	7	77.1 Å²	77.1	7%	0.072	40%	0.404	C	S	.	.	H	α-helix	trans	-58.4	-45.7	173.9	0	0	0	0	0	112.3	A508 L509 K514 T515 L516	A508-G512 PolarHBondContact O-N 3.1Å; L509-G512 PolarHBondContact O-N 3.09Å; G512-K514 PolarHBondContact O-N 3.31Å; G512-T515 WeakPolarHBondContact O-CB 3.47Å; G512-T515 PolarHBondContact O-N 2.94Å; G512-L516 PolarHBondContact O-N 3.4Å
513	R	89.6	Confident	90.4	Very high	89 Å²	89	69.4 Å²	69.4	34%	0.336	37%	0.368	S	S	.	.	H	α-helix	trans	-61.4	-44.8	176.5	-177.3	172.5	61.5	173.2	-5.5	112.9	M493 L509 N510 S511 T515 L516 E517	M493-R513 HydrophobicContact CE-CB 4.38Å; L509-R513 WeakPolarHBondContact O-CB 3.18Å; L509-R513 PolarHBondContact O-N 3.35Å; N510-R513 PolarHBondContact OD1-NH2 3.01Å; S511-R513 PolarHBondContact O-N 3.38Å; R513-T515 VanDerWaalsContact C-N 3.28Å; R513-T515 PolarHBondContact O-N 3.13Å; R513-L516 PolarHBondContact O-N 3.03Å; R513-E517 WeakPolarHBondContact O-CB 3.48Å; R513-E517 PolarHBondContact O-N 2.93Å
514	K	91.4	Very high	90.7	Very high	153 Å²	153	67.7 Å²	67.7	67%	0.665	36%	0.355	S	S	*	.	H	α-helix	trans	-60.9	-40.1	175.8	-77.1	-179.3	178.7	-176.9	0	111.6	N510 S511 G512 E517 A518	N510-K514 WeakPolarHBondContact O-CG 3.44Å; N510-K514 PolarHBondContact O-N 3.36Å; S511-K514 PolarHBondContact O-N 3.42Å; G512-K514 PolarHBondContact O-N 3.31Å; K514-E517 PolarHBondContact O-N 2.73Å; K514-A518 WeakPolarHBondContact O-CB 3.46Å; K514-A518 PolarHBondContact O-N 2.98Å
515	T	90.2	Very high	91	Very high	70 Å²	70	63 Å²	63	43%	0.429	35%	0.35	S	S	.	.	H	α-helix	trans	-65.8	-48.7	178	-52.3	0	0	0	0	110.9	S511 G512 R513 E517 A518 D519	S511-T515 WeakPolarHBondContact O-CB 3.34Å; S511-T515 PolarHBondContact O-N 3.12Å; S511-T515 PolarHBondContact O-OG1 3.36Å; G512-T515 WeakPolarHBondContact O-CB 3.47Å; G512-T515 PolarHBondContact O-N 2.94Å; R513-T515 VanDerWaalsContact C-N 3.28Å; R513-T515 PolarHBondContact O-N 3.13Å; T515-E517 VanDerWaalsContact C-N 3.27Å; T515-E517 PolarHBondContact O-N 3.45Å; T515-A518 PolarHBondContact O-N 2.99Å; T515-D519 WeakPolarHBondContact O-CB 3.44Å; T515-D519 PolarHBondContact O-N 2.99Å
516	L	91.8	Very high	91.3	Very high	7 Å²	7	63 Å²	63	4%	0.037	35%	0.347	C	S	.	.	H	α-helix	trans	-53.3	-46.5	173.4	175.3	70.4	0	0	0	111.4	L489 Y490 M493 G512 R513 H520 V559	L489-L516 HydrophobicContact CB-CD1 3.73Å; Y490-L516 HydrophobicContact CD1-CD1 3.97Å; Y490-L516 HydrophobicContact CE1-CD1 4.08Å; M493-L516 HydrophobicContact CE-CB 4.45Å; M493-L516 HydrophobicContact CE-CD2 4.27Å; M493-L516 HydrophobicContact CG-CB 3.75Å; M493-L516 HydrophobicContact CG-CD1 3.74Å; M493-L516 HydrophobicContact CG-CD2 3.73Å; M493-L516 HydrophobicContact CG-CG 3.89Å; M493-L516 HydrophobicContact SD-CB 3.73Å; M493-L516 HydrophobicContact SD-CD2 4.33Å; M493-L516 HydrophobicContact SD-CG 4.46Å; G512-L516 PolarHBondContact O-N 3.4Å; R513-L516 PolarHBondContact O-N 3.03Å; L516-H520 WeakPolarHBondContact O-CB 3.34Å; L516-H520 PolarHBondContact O-N 3.12Å; L516-V559 HydrophobicContact CD2-CG1 4.1Å
517	E	90.9	Very high	91.6	Very high	115 Å²	115	59.3 Å²	59.3	54%	0.537	33%	0.325	S	S	.	.	H	α-helix	trans	-67.7	-42.2	-176	-169.4	169.4	-165.6	0	0	112.4	R513 K514 T515 R521	R513-E517 WeakPolarHBondContact O-CB 3.48Å; R513-E517 PolarHBondContact O-N 2.93Å; K514-E517 PolarHBondContact O-N 2.73Å; T515-E517 VanDerWaalsContact C-N 3.27Å; T515-E517 PolarHBondContact O-N 3.45Å; E517-R521 VanDerWaalsContact O-CB 3.26Å; E517-R521 WeakPolarHBondContact O-CB 3.44Å; E517-R521 PolarHBondContact O-N 3.45Å
518	A	93.3	Very high	92	Very high	52 Å²	52	59.6 Å²	59.6	43%	0.43	32%	0.32	S	S	.	.	H	α-helix	trans	-65.9	-48.7	176.7	0	0	0	0	0	112.2	K514 T515 R521 T522	K514-A518 WeakPolarHBondContact O-CB 3.46Å; K514-A518 PolarHBondContact O-N 2.98Å; T515-A518 PolarHBondContact O-N 2.99Å; A518-R521 PolarHBondContact O-N 3.39Å; A518-T522 PolarHBondContact O-N 2.93Å; A518-T522 PolarHBondContact O-OG1 3.22Å
519	D	92.4	Very high	92.3	Very high	59 Å²	59	60.6 Å²	60.6	32%	0.316	32%	0.324	S	S	.	.	H	α-helix	trans	-68.7	-42.2	-178.7	-72.1	-10.1	0	0	0	111.1	L489 T515 R521 T522 L523	L489-D519 HydrophobicContact CD1-CB 3.67Å; L489-D519 HydrophobicContact CD2-CB 4.04Å; T515-D519 WeakPolarHBondContact O-CB 3.44Å; T515-D519 PolarHBondContact O-N 2.99Å; D519-R521 VanDerWaalsContact C-N 3.32Å; D519-R521 PolarHBondContact O-N 3.34Å; D519-T522 PolarHBondContact O-N 3.44Å; D519-L523 WeakPolarHBondContact O-CB 3.45Å; D519-L523 VanDerWaalsContact O-CG 3.3Å; D519-L523 WeakPolarHBondContact O-CG 3.28Å; D519-L523 PolarHBondContact O-N 3.15Å
520	H	93.9	Very high	92.5	Very high	13 Å²	13	61 Å²	61	6%	0.06	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-42.2	175.6	-179.6	-90.5	0	0	0	111.8	Y490 L516 T524 D552 K556	Y490-H520 PolarHBondContact OH-CD2 3Å; Y490-H520 PolarHBondContact OH-NE2 3.27Å; L516-H520 WeakPolarHBondContact O-CB 3.34Å; L516-H520 PolarHBondContact O-N 3.12Å; H520-T524 PolarHBondContact CE1-OG1 2.92Å; H520-T524 VanDerWaalsContact CE1-OG1 3.3Å; H520-T524 VanDerWaalsContact O-CB 3.24Å; H520-T524 WeakPolarHBondContact O-CB 3.3Å; H520-T524 PolarHBondContact O-N 3.42Å; H520-T524 PolarHBondContact O-OG1 3.23Å; H520-D552 IonicContact CD2-OD2 3.72Å; H520-D552 IonicContact CE1-OD2 3.08Å; H520-D552 IonicContact NE2-OD2 3.77Å; H520-D552 PolarHBondContact NE2-OD2 3.08Å; H520-K556 VanDerWaalsContact CE1-CD 3.42Å; H520-K556 WeakPolarHBondContact CE1-CD 3.33Å; H520-K556 VanDerWaalsContact ND1-CD 3.29Å; H520-K556 WeakPolarHBondContact ND1-CD 3.19Å; H520-K556 PolarHBondContact ND1-NZ 3.39Å
521	R	94	Very high	92.7	Very high	197 Å²	197	59.5 Å²	59.5	74%	0.743	32%	0.318	S	S	*	.	H	α-helix	trans	-63.3	-43.5	176.7	-176.8	178.8	-179.8	179.9	0.1	111.5	E517 A518 D519 T524 S525	E517-R521 VanDerWaalsContact O-CB 3.26Å; E517-R521 WeakPolarHBondContact O-CB 3.44Å; E517-R521 PolarHBondContact O-N 3.45Å; A518-R521 PolarHBondContact O-N 3.39Å; D519-R521 VanDerWaalsContact C-N 3.32Å; D519-R521 PolarHBondContact O-N 3.34Å; R521-T524 PolarHBondContact O-N 2.92Å; R521-S525 PolarHBondContact O-N 3.49Å
522	T	94.6	Very high	92.8	Very high	74 Å²	74	59 Å²	59	45%	0.454	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-52.3	178.6	-54.6	0	0	0	0	110.8	A518 D519 T524 S525 E526	A518-T522 PolarHBondContact O-N 2.93Å; A518-T522 PolarHBondContact O-OG1 3.22Å; D519-T522 PolarHBondContact O-N 3.44Å; T522-T524 VanDerWaalsContact C-N 3.31Å; T522-T524 PolarHBondContact O-N 3.32Å; T522-S525 WeakPolarHBondContact O-CB 3.34Å; T522-S525 PolarHBondContact O-N 3.04Å; T522-S525 VanDerWaalsContact O-N 3.12Å; T522-E526 PolarHBondContact O-N 2.65Å
523	L	94.3	Very high	92.9	Very high	5 Å²	5	64.8 Å²	64.8	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-39.4	177.7	-66.5	174.9	0	0	0	112.1	L482 R485 R486 L489 D519 S525 E526 I527	L482-L523 HydrophobicContact CD2-CD2 3.76Å; R485-L523 HydrophobicContact CB-CD1 4.43Å; R485-L523 HydrophobicContact CG-CD1 4.16Å; R485-L523 HydrophobicContact CG-CD2 4.47Å; R486-L523 HydrophobicContact CB-CD1 3.96Å; R486-L523 HydrophobicContact CG-CD1 4.43Å; L489-L523 HydrophobicContact CD1-CD1 3.68Å; L489-L523 HydrophobicContact CG-CD1 4.49Å; D519-L523 WeakPolarHBondContact O-CB 3.45Å; D519-L523 VanDerWaalsContact O-CG 3.3Å; D519-L523 WeakPolarHBondContact O-CG 3.28Å; D519-L523 PolarHBondContact O-N 3.15Å; L523-S525 VanDerWaalsContact C-N 3.32Å; L523-S525 PolarHBondContact O-N 2.99Å; L523-E526 PolarHBondContact O-N 3.1Å; L523-I527 WeakPolarHBondContact O-CB 3.45Å; L523-I527 WeakPolarHBondContact O-CG1 3.39Å; L523-I527 PolarHBondContact O-N 3.45Å
524	T	94.1	Very high	93	Very high	37 Å²	37	60.6 Å²	60.6	23%	0.227	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-40.2	176.8	-60.3	0	0	0	0	111.5	H520 R521 T522 S528	H520-T524 PolarHBondContact CE1-OG1 2.92Å; H520-T524 VanDerWaalsContact CE1-OG1 3.3Å; H520-T524 VanDerWaalsContact O-CB 3.24Å; H520-T524 WeakPolarHBondContact O-CB 3.3Å; H520-T524 PolarHBondContact O-N 3.42Å; H520-T524 PolarHBondContact O-OG1 3.23Å; R521-T524 PolarHBondContact O-N 2.92Å; T522-T524 VanDerWaalsContact C-N 3.31Å; T522-T524 PolarHBondContact O-N 3.32Å; T524-S528 VanDerWaalsContact O-CB 3.3Å; T524-S528 WeakPolarHBondContact O-CB 3.3Å; T524-S528 PolarHBondContact O-N 3.36Å; T524-S528 PolarHBondContact O-OG 3.39Å
525	S	94.8	Very high	92.9	Very high	82 Å²	82	59.6 Å²	59.6	57%	0.573	32%	0.317	S	S	*	.	H	α-helix	trans	-64.9	-43.5	175.6	-170.4	0	0	0	0	111.8	R521 T522 L523 S528 S529	R521-S525 PolarHBondContact O-N 3.49Å; T522-S525 WeakPolarHBondContact O-CB 3.34Å; T522-S525 PolarHBondContact O-N 3.04Å; T522-S525 VanDerWaalsContact O-N 3.12Å; L523-S525 VanDerWaalsContact C-N 3.32Å; L523-S525 PolarHBondContact O-N 2.99Å; S525-S528 PolarHBondContact O-N 3.46Å; S525-S529 PolarHBondContact O-N 3.32Å
526	E	94.4	Very high	92.8	Very high	81 Å²	81	61.9 Å²	61.9	38%	0.379	33%	0.331	S	S	.	.	H	α-helix	trans	-63.9	-48.2	177.2	-71.1	176.6	-171.8	0	0	111.5	L482 T522 L523 S528 S529 L530	L482-E526 HydrophobicContact CD1-CB 3.78Å; L482-E526 WeakPolarHBondContact CD2-OE2 3.25Å; T522-E526 PolarHBondContact O-N 2.65Å; L523-E526 PolarHBondContact O-N 3.1Å; E526-S528 VanDerWaalsContact C-N 3.29Å; E526-S528 PolarHBondContact O-N 3.03Å; E526-S529 WeakPolarHBondContact O-CB 3.47Å; E526-S529 PolarHBondContact O-N 2.99Å; E526-S529 VanDerWaalsContact O-N 3.1Å; E526-S529 PolarHBondContact O-OG 2.73Å; E526-L530 PolarHBondContact O-N 2.93Å
527	I	94.3	Very high	92.5	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-37	177.3	-60.7	165.2	0	0	0	110.6	V479 L482 V483 L523 S529 L530 Q531 V545 Q549	V479-I527 HydrophobicContact CG1-CG2 4.29Å; L482-I527 HydrophobicContact CB-CD1 3.98Å; L482-I527 HydrophobicContact CB-CG1 3.68Å; L482-I527 HydrophobicContact CD1-CG1 3.9Å; L482-I527 HydrophobicContact CG-CG1 4.47Å; V483-I527 HydrophobicContact CG2-CD1 3.95Å; L523-I527 WeakPolarHBondContact O-CB 3.45Å; L523-I527 WeakPolarHBondContact O-CG1 3.39Å; L523-I527 PolarHBondContact O-N 3.45Å; I527-S529 VanDerWaalsContact C-N 3.31Å; I527-S529 PolarHBondContact O-N 3.46Å; I527-L530 PolarHBondContact O-N 3.02Å; I527-Q531 WeakPolarHBondContact O-CB 3.42Å; I527-Q531 PolarHBondContact O-N 3.45Å; I527-V545 HydrophobicContact CG2-CG1 3.69Å; I527-Q549 HydrophobicContact CG2-CG 4.08Å
528	S	94.1	Very high	92	Very high	48 Å²	48	62.1 Å²	62.1	34%	0.336	35%	0.348	S	S	.	.	H	α-helix	trans	-62.7	-38.8	174.8	-62.4	0	0	0	0	112	T524 S525 E526 Q531 A532 Q549	T524-S528 VanDerWaalsContact O-CB 3.3Å; T524-S528 WeakPolarHBondContact O-CB 3.3Å; T524-S528 PolarHBondContact O-N 3.36Å; T524-S528 PolarHBondContact O-OG 3.39Å; S525-S528 PolarHBondContact O-N 3.46Å; E526-S528 VanDerWaalsContact C-N 3.29Å; E526-S528 PolarHBondContact O-N 3.03Å; S528-Q531 PolarHBondContact O-N 3.12Å; S528-A532 PolarHBondContact O-N 2.88Å; S528-Q549 PolarHBondContact OG-OE1 2.98Å
529	S	94.1	Very high	91.5	Very high	64 Å²	64	60.8 Å²	60.8	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-66.2	-41.4	175.5	80.6	0	0	0	0	112.1	S525 E526 I527 A532 R533	S525-S529 PolarHBondContact O-N 3.32Å; E526-S529 WeakPolarHBondContact O-CB 3.47Å; E526-S529 PolarHBondContact O-N 2.99Å; E526-S529 VanDerWaalsContact O-N 3.1Å; E526-S529 PolarHBondContact O-OG 2.73Å; I527-S529 VanDerWaalsContact C-N 3.31Å; I527-S529 PolarHBondContact O-N 3.46Å; S529-A532 PolarHBondContact O-N 3.35Å; S529-R533 WeakPolarHBondContact O-CG 3.3Å; S529-R533 PolarHBondContact O-N 2.89Å; S529-R533 VanDerWaalsContact O-N 3.1Å
530	L	92.8	Very high	91.1	Very high	9 Å²	9	64.3 Å²	64.3	5%	0.047	35%	0.354	C	S	.	.	H	α-helix	trans	-67.5	-39.1	176.1	-65.6	178.8	0	0	0	111.5	I475 Q478 V479 L482 E526 I527 A532 R533 L534	I475-L530 HydrophobicContact CG2-CB 4Å; I475-L530 HydrophobicContact CG2-CD2 4.2Å; Q478-L530 HydrophobicContact CB-CD1 3.72Å; V479-L530 HydrophobicContact CG2-CB 3.66Å; V479-L530 HydrophobicContact CG2-CD1 3.74Å; V479-L530 HydrophobicContact CG2-CG 4.37Å; L482-L530 HydrophobicContact CD1-CD1 3.69Å; E526-L530 PolarHBondContact O-N 2.93Å; I527-L530 PolarHBondContact O-N 3.02Å; L530-A532 VanDerWaalsContact C-N 3.34Å; L530-A532 PolarHBondContact O-N 3.45Å; L530-R533 WeakPolarHBondContact O-CB 3.24Å; L530-R533 PolarHBondContact O-N 3.01Å; L530-L534 PolarHBondContact O-N 2.7Å
531	Q	93	Very high	90.8	Very high	25 Å²	25	65.2 Å²	65.2	12%	0.117	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-42.9	173.8	-171.3	-171.2	4	0	0	111.6	I527 S528 R533 L534 K535 A542 V545 Q549	I527-Q531 WeakPolarHBondContact O-CB 3.42Å; I527-Q531 PolarHBondContact O-N 3.45Å; S528-Q531 PolarHBondContact O-N 3.12Å; Q531-R533 VanDerWaalsContact C-N 3.3Å; Q531-R533 PolarHBondContact O-N 3.49Å; Q531-L534 PolarHBondContact O-N 3.03Å; Q531-K535 WeakPolarHBondContact O-CG 3.13Å; Q531-K535 PolarHBondContact O-N 3.23Å; Q531-A542 HydrophobicContact CG-CB 4.31Å; Q531-A542 WeakPolarHBondContact CG-O 3.34Å; Q531-A542 PolarHBondContact NE2-O 2.96Å; Q531-V545 HydrophobicContact CB-CG1 3.91Å; Q531-V545 HydrophobicContact CG-CB 4.19Å; Q531-V545 HydrophobicContact CG-CG1 4.03Å; Q531-Q549 VanDerWaalsContact OE1-NE2 3.13Å
532	A	92.4	Very high	90.6	Very high	51 Å²	51	56 Å²	56	42%	0.421	33%	0.325	S	S	.	.	H	α-helix	trans	-63.1	-37.2	175.7	0	0	0	0	0	112.1	S528 S529 L530 K535 T536	S528-A532 PolarHBondContact O-N 2.88Å; S529-A532 PolarHBondContact O-N 3.35Å; L530-A532 VanDerWaalsContact C-N 3.34Å; L530-A532 PolarHBondContact O-N 3.45Å; A532-K535 PolarHBondContact O-N 2.88Å; A532-T536 PolarHBondContact O-N 3.28Å; A532-T536 PolarHBondContact O-OG1 3.09Å
533	R	90.9	Very high	90.3	Very high	130 Å²	130	59.7 Å²	59.7	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-65	-43.2	173.2	-69.4	174.6	63.4	-171.5	-1.7	112	I475 S529 L530 Q531 K535 T536 E537	I475-R533 HydrophobicContact CD1-CB 4.04Å; S529-R533 WeakPolarHBondContact O-CG 3.3Å; S529-R533 PolarHBondContact O-N 2.89Å; S529-R533 VanDerWaalsContact O-N 3.1Å; L530-R533 WeakPolarHBondContact O-CB 3.24Å; L530-R533 PolarHBondContact O-N 3.01Å; Q531-R533 VanDerWaalsContact C-N 3.3Å; Q531-R533 PolarHBondContact O-N 3.49Å; R533-K535 VanDerWaalsContact C-N 3.3Å; R533-K535 PolarHBondContact O-N 3.3Å; R533-T536 WeakPolarHBondContact O-CB 3.5Å; R533-T536 PolarHBondContact O-N 3.41Å; R533-T536 VanDerWaalsContact O-N 3.08Å; R533-E537 WeakPolarHBondContact O-CG 3.3Å; R533-E537 PolarHBondContact O-N 3.45Å
534	L	90.5	Very high	90.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-59	-39.3	173.9	-70.4	174.2	0	0	0	112.4	V472 I475 L530 Q531 T536 E537 G538 S539 L541 A542 V545	V472-L534 HydrophobicContact CG1-CD2 4.12Å; I475-L534 HydrophobicContact CB-CD2 3.76Å; I475-L534 HydrophobicContact CB-CG 4.31Å; I475-L534 HydrophobicContact CD1-CD2 4.37Å; I475-L534 HydrophobicContact CG2-CD1 4.15Å; I475-L534 HydrophobicContact CG2-CD2 3.55Å; I475-L534 HydrophobicContact CG2-CG 3.53Å; L530-L534 PolarHBondContact O-N 2.7Å; Q531-L534 PolarHBondContact O-N 3.03Å; L534-T536 VanDerWaalsContact C-N 3.33Å; L534-E537 PolarHBondContact O-N 2.73Å; L534-G538 PolarHBondContact O-N 2.97Å; L534-S539 PolarHBondContact O-N 3.17Å; L534-L541 HydrophobicContact CD1-CB 4.49Å; L534-A542 HydrophobicContact CB-CB 3.79Å; L534-V545 HydrophobicContact CD1-CG2 3.92Å
535	K	89.3	Confident	90	Very high	133 Å²	133	61.1 Å²	61.1	58%	0.578	34%	0.341	S	S	*	.	H	α-helix	trans	-64.2	-39	174.1	-67.7	-176.2	-178.7	-179	0	112.2	Q531 A532 R533 E537 G538 A542	Q531-K535 WeakPolarHBondContact O-CG 3.13Å; Q531-K535 PolarHBondContact O-N 3.23Å; A532-K535 PolarHBondContact O-N 2.88Å; R533-K535 VanDerWaalsContact C-N 3.3Å; R533-K535 PolarHBondContact O-N 3.3Å; K535-E537 VanDerWaalsContact C-N 3.3Å; K535-E537 PolarHBondContact O-N 3.4Å; K535-G538 PolarHBondContact O-N 2.86Å; K535-G538 VanDerWaalsContact O-N 3.1Å; K535-A542 HydrophobicContact CB-CB 4.42Å; K535-A542 HydrophobicContact CD-CB 4.47Å; K535-A542 HydrophobicContact CG-CB 3.41Å; K535-A542 VanDerWaalsContact CG-CB 3.41Å
536	T	88.8	Confident	89.8	Confident	118 Å²	118	58.3 Å²	58.3	72%	0.724	32%	0.324	S	S	*	.	H	α-helix	trans	-66.2	-35.7	179.5	-52.7	0	0	0	0	111.3	A532 R533 L534 G538	A532-T536 PolarHBondContact O-N 3.28Å; A532-T536 PolarHBondContact O-OG1 3.09Å; R533-T536 WeakPolarHBondContact O-CB 3.5Å; R533-T536 PolarHBondContact O-N 3.41Å; R533-T536 VanDerWaalsContact O-N 3.08Å; L534-T536 VanDerWaalsContact C-N 3.33Å; T536-G538 PolarHBondContact O-N 3.06Å
537	E	85.4	Confident	89.7	Confident	65 Å²	65	59.3 Å²	59.3	30%	0.304	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	2.2	174.1	-59.9	-66.8	155.5	0	0	113.2	V468 V472 I475 R533 L534 K535	V468-E537 HydrophobicContact CG1-CB 4.47Å; V472-E537 HydrophobicContact CG2-CB 4Å; I475-E537 HydrophobicContact CD1-CG 4.44Å; R533-E537 WeakPolarHBondContact O-CG 3.3Å; R533-E537 PolarHBondContact O-N 3.45Å; L534-E537 PolarHBondContact O-N 2.73Å; K535-E537 VanDerWaalsContact C-N 3.3Å; K535-E537 PolarHBondContact O-N 3.4Å
538	G	80.3	Confident	89.6	Confident	62 Å²	62	59.3 Å²	59.3	64%	0.639	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	24.7	176.6	0	0	0	0	0	115.2	L534 K535 T536	L534-G538 PolarHBondContact O-N 2.97Å; K535-G538 PolarHBondContact O-N 2.86Å; K535-G538 VanDerWaalsContact O-N 3.1Å; T536-G538 PolarHBondContact O-N 3.06Å
539	S	83.5	Confident	89.5	Confident	23 Å²	23	58.8 Å²	58.8	16%	0.161	32%	0.321	C	S	.	.			trans	-90.8	127.8	-177.4	-179.3	0	0	0	0	113	L534 L541 A542	L534-S539 PolarHBondContact O-N 3.17Å; S539-L541 PolarHBondContact O-N 3.35Å; S539-L541 VanDerWaalsContact O-N 3.13Å; S539-L541 WeakPolarHBondContact OG-CB 3.47Å; S539-L541 WeakPolarHBondContact OG-CG 3.27Å; S539-L541 PolarHBondContact OG-N 3.01Å; S539-A542 WeakPolarHBondContact O-CB 3.44Å; S539-A542 PolarHBondContact O-N 3.19Å; S539-A542 VanDerWaalsContact O-N 3.14Å
540	D	83.7	Confident	89.5	Confident	134 Å²	134	62.9 Å²	62.9	72%	0.717	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.4	173.8	-58.1	-23.4	0	0	0	112.6	A542 E543	D540-A542 PolarHBondContact O-N 3.18Å; D540-E543 PolarHBondContact O-N 3.37Å; D540-E543 VanDerWaalsContact O-N 3.15Å
541	L	87.4	Confident	89.5	Confident	32 Å²	32	63.1 Å²	63.1	17%	0.168	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-23.8	175	-58.6	-177.6	0	0	0	112.3	V472 T476 L534 S539 E543 K544 V545 L604	V472-L541 HydrophobicContact CG1-CD1 3.82Å; T476-L541 HydrophobicContact CG2-CD1 4.49Å; T476-L541 WeakPolarHBondContact OG1-CD1 3.44Å; L534-L541 HydrophobicContact CD1-CB 4.49Å; S539-L541 PolarHBondContact O-N 3.35Å; S539-L541 VanDerWaalsContact O-N 3.13Å; S539-L541 WeakPolarHBondContact OG-CB 3.47Å; S539-L541 WeakPolarHBondContact OG-CG 3.27Å; S539-L541 PolarHBondContact OG-N 3.01Å; L541-E543 PolarHBondContact O-N 3.12Å; L541-K544 HydrophobicContact CD2-CD 4.3Å; L541-K544 PolarHBondContact O-N 3.02Å; L541-V545 WeakPolarHBondContact O-CG2 3.33Å; L541-V545 PolarHBondContact O-N 2.95Å; L541-L604 HydrophobicContact CB-CD2 3.91Å; L541-L604 HydrophobicContact CD2-CD2 4.05Å; L541-L604 HydrophobicContact CG-CD2 4.4Å
542	A	89.1	Confident	89.5	Confident	3 Å²	3	62 Å²	62	3%	0.025	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-29.1	176.5	0	0	0	0	0	113.4	Q531 L534 K535 S539 D540 G546	Q531-A542 HydrophobicContact CG-CB 4.31Å; Q531-A542 WeakPolarHBondContact CG-O 3.34Å; Q531-A542 PolarHBondContact NE2-O 2.96Å; L534-A542 HydrophobicContact CB-CB 3.79Å; K535-A542 HydrophobicContact CB-CB 4.42Å; K535-A542 HydrophobicContact CD-CB 4.47Å; K535-A542 HydrophobicContact CG-CB 3.41Å; K535-A542 VanDerWaalsContact CG-CB 3.41Å; S539-A542 WeakPolarHBondContact O-CB 3.44Å; S539-A542 PolarHBondContact O-N 3.19Å; S539-A542 VanDerWaalsContact O-N 3.14Å; D540-A542 PolarHBondContact O-N 3.18Å; A542-G546 PolarHBondContact O-N 3.39Å
543	E	89.4	Confident	89.5	Confident	152 Å²	152	60.9 Å²	60.9	71%	0.71	32%	0.32	S	S	*	.	H	α-helix	trans	-71.8	-44.9	176.3	-61.2	-166.7	159.9	0	0	110.8	D540 L541 V545 G546 E547	D540-E543 PolarHBondContact O-N 3.37Å; D540-E543 VanDerWaalsContact O-N 3.15Å; L541-E543 PolarHBondContact O-N 3.12Å; E543-V545 VanDerWaalsContact C-N 3.34Å; E543-V545 PolarHBondContact O-N 3.05Å; E543-G546 WeakPolarHBondContact O-CA 3.33Å; E543-G546 PolarHBondContact O-N 3.32Å; E543-E547 PolarHBondContact O-N 3.29Å
544	K	89.6	Confident	89.6	Confident	71 Å²	71	58 Å²	58	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-42.5	175.3	-61.8	-172.9	-174.4	-177.3	0	112	L541 G546 E547 I548 A603 L604	L541-K544 HydrophobicContact CD2-CD 4.3Å; L541-K544 PolarHBondContact O-N 3.02Å; K544-G546 VanDerWaalsContact C-N 3.26Å; K544-G546 PolarHBondContact O-N 3.02Å; K544-E547 WeakPolarHBondContact O-CB 3.33Å; K544-E547 PolarHBondContact O-N 3.22Å; K544-E547 VanDerWaalsContact O-N 3.17Å; K544-I548 WeakPolarHBondContact O-CG1 3.38Å; K544-I548 PolarHBondContact O-N 3.45Å; K544-A603 PolarHBondContact NZ-O 3.3Å; K544-L604 HydrophobicContact CB-CD2 3.89Å; K544-L604 HydrophobicContact CD-CD2 4.31Å
545	V	91.6	Very high	89.6	Confident	1 Å²	1	58 Å²	58	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-37	173.9	176	0	0	0	0	111.4	V479 I527 Q531 L534 L541 E543 I548 Q549 L604	V479-V545 HydrophobicContact CG1-CG1 4.04Å; V479-V545 HydrophobicContact CG1-CG2 3.85Å; V479-V545 HydrophobicContact CG2-CG2 4.49Å; I527-V545 HydrophobicContact CG2-CG1 3.69Å; Q531-V545 HydrophobicContact CB-CG1 3.91Å; Q531-V545 HydrophobicContact CG-CB 4.19Å; Q531-V545 HydrophobicContact CG-CG1 4.03Å; L534-V545 HydrophobicContact CD1-CG2 3.92Å; L541-V545 WeakPolarHBondContact O-CG2 3.33Å; L541-V545 PolarHBondContact O-N 2.95Å; E543-V545 VanDerWaalsContact C-N 3.34Å; E543-V545 PolarHBondContact O-N 3.05Å; V545-I548 PolarHBondContact O-N 3.46Å; V545-Q549 WeakPolarHBondContact O-CG 3.43Å; V545-Q549 PolarHBondContact O-N 3.17Å; V545-L604 HydrophobicContact CG2-CD1 4.21Å; V545-L604 HydrophobicContact CG2-CD2 4Å
546	G	91.2	Very high	89.7	Confident	22 Å²	22	53.9 Å²	53.9	23%	0.227	29%	0.294	C	S	.	.	H	α-helix	trans	-64.6	-40.5	174.1	0	0	0	0	0	113	A542 E543 K544 Q549 K550	A542-G546 PolarHBondContact O-N 3.39Å; E543-G546 WeakPolarHBondContact O-CA 3.33Å; E543-G546 PolarHBondContact O-N 3.32Å; K544-G546 VanDerWaalsContact C-N 3.26Å; K544-G546 PolarHBondContact O-N 3.02Å; G546-Q549 PolarHBondContact O-N 3.26Å; G546-K550 PolarHBondContact O-N 2.68Å; G546-K550 VanDerWaalsContact O-N 3.1Å
547	E	92.4	Very high	89.8	Confident	103 Å²	103	54.8 Å²	54.8	48%	0.481	29%	0.29	S	S	.	.	H	α-helix	trans	-64.5	-43.9	174.5	-169.8	175.3	-174.7	0	0	111.7	E543 K544 Q549 K550 L551 L600	E543-E547 PolarHBondContact O-N 3.29Å; K544-E547 WeakPolarHBondContact O-CB 3.33Å; K544-E547 PolarHBondContact O-N 3.22Å; K544-E547 VanDerWaalsContact O-N 3.17Å; E547-Q549 VanDerWaalsContact C-N 3.3Å; E547-Q549 PolarHBondContact O-N 3.37Å; E547-K550 WeakPolarHBondContact O-CB 3.5Å; E547-K550 PolarHBondContact O-N 2.68Å; E547-K550 VanDerWaalsContact O-N 3.09Å; E547-L551 HydrophobicContact CG-CD1 4.41Å; E547-L551 WeakPolarHBondContact O-CG 3.33Å; E547-L551 PolarHBondContact O-N 2.91Å; E547-L600 HydrophobicContact CB-CD1 4.04Å; E547-L600 HydrophobicContact CG-CD1 3.68Å
548	I	92.8	Very high	90.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.2	-41.3	174.4	-71	162	0	0	0	111.4	V483 K544 V545 K550 D552 I597 L600 L601 L604	V483-I548 HydrophobicContact CG1-CG2 4.01Å; V483-I548 HydrophobicContact CG2-CG2 3.92Å; K544-I548 WeakPolarHBondContact O-CG1 3.38Å; K544-I548 PolarHBondContact O-N 3.45Å; V545-I548 PolarHBondContact O-N 3.46Å; I548-K550 VanDerWaalsContact C-N 3.34Å; I548-D552 WeakPolarHBondContact O-CB 3.11Å; I548-D552 PolarHBondContact O-N 3.48Å; I548-I597 HydrophobicContact CG2-CG2 4.13Å; I548-L600 HydrophobicContact CD1-CB 3.86Å; I548-L600 HydrophobicContact CG1-CB 3.65Å; I548-L600 HydrophobicContact CG1-CD1 3.88Å; I548-L600 HydrophobicContact CG1-CG 4.44Å; I548-L601 HydrophobicContact CD1-CD2 3.87Å; I548-L601 HydrophobicContact CD1-CG 4.34Å; I548-L604 HydrophobicContact CD1-CD1 3.65Å; I548-L604 HydrophobicContact CD1-CG 4.35Å
549	Q	92.3	Very high	90.5	Very high	36 Å²	36	49.8 Å²	49.8	17%	0.168	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-38.6	175.8	-73.4	-176.2	24.3	0	0	112.5	I527 S528 Q531 V545 G546 E547 D552 G553	I527-Q549 HydrophobicContact CG2-CG 4.08Å; S528-Q549 PolarHBondContact OG-OE1 2.98Å; Q531-Q549 VanDerWaalsContact OE1-NE2 3.13Å; V545-Q549 WeakPolarHBondContact O-CG 3.43Å; V545-Q549 PolarHBondContact O-N 3.17Å; G546-Q549 PolarHBondContact O-N 3.26Å; E547-Q549 VanDerWaalsContact C-N 3.3Å; E547-Q549 PolarHBondContact O-N 3.37Å; Q549-D552 PolarHBondContact O-N 3.18Å; Q549-G553 PolarHBondContact O-N 3.49Å
550	K	93.6	Very high	90.7	Very high	150 Å²	150	50.8 Å²	50.8	65%	0.652	26%	0.258	S	S	*	.	H	α-helix	trans	-66.4	-46	177.8	-174.4	-177.9	179.1	-176.5	0	111.8	G546 E547 I548 D552 G553 Q554	G546-K550 PolarHBondContact O-N 2.68Å; G546-K550 VanDerWaalsContact O-N 3.1Å; E547-K550 WeakPolarHBondContact O-CB 3.5Å; E547-K550 PolarHBondContact O-N 2.68Å; E547-K550 VanDerWaalsContact O-N 3.09Å; I548-K550 VanDerWaalsContact C-N 3.34Å; K550-D552 VanDerWaalsContact C-N 3.31Å; K550-G553 PolarHBondContact O-N 3.49Å; K550-Q554 PolarHBondContact O-N 2.79Å
551	L	93	Very high	90.9	Very high	15 Å²	15	51.5 Å²	51.5	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-63.7	-40	177.2	-67.7	175.2	0	0	0	111.3	E547 Q554 V555 L593 R596 I597 L600	E547-L551 HydrophobicContact CG-CD1 4.41Å; E547-L551 WeakPolarHBondContact O-CG 3.33Å; E547-L551 PolarHBondContact O-N 2.91Å; L551-Q554 WeakPolarHBondContact O-CB 3.3Å; L551-Q554 PolarHBondContact O-N 3.43Å; L551-Q554 VanDerWaalsContact O-N 3.12Å; L551-V555 PolarHBondContact O-N 3.25Å; L551-L593 HydrophobicContact CD2-CD2 3.87Å; L551-R596 HydrophobicContact CD1-CB 3.89Å; L551-I597 HydrophobicContact CB-CD1 3.96Å; L551-I597 HydrophobicContact CB-CG1 3.66Å; L551-I597 HydrophobicContact CD1-CG1 4.03Å; L551-L600 HydrophobicContact CD1-CD1 3.65Å
552	D	92.6	Very high	90.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-37.2	177.9	180	92.6	0	0	0	113.7	R486 Y490 H520 I548 Q549 K550 Q554 V555 K556 I597	R486-D552 VanDerWaalsContact CD-CG 3.45Å; R486-D552 VanDerWaalsContact CD-OD1 3.3Å; R486-D552 WeakPolarHBondContact CD-OD1 3.42Å; R486-D552 WeakPolarHBondContact CD-OD2 3.4Å; R486-D552 WeakPolarHBondContact CG-OD1 3.48Å; R486-D552 IonicContact CZ-OD1 2.76Å; R486-D552 IonicContact CZ-OD2 2.78Å; R486-D552 IonicContact NE-OD1 3.95Å; R486-D552 PolarHBondContact NE-OD1 3.04Å; R486-D552 IonicContact NE-OD2 2.65Å; R486-D552 PolarHBondContact NE-OD2 3.37Å; R486-D552 VanDerWaalsContact NE-OD2 3.12Å; R486-D552 VanDerWaalsContact NH1-CG 3.27Å; R486-D552 IonicContact NH1-OD1 3.86Å; R486-D552 IonicContact NH1-OD2 3.63Å; R486-D552 PolarHBondContact NH1-OD2 3.42Å; R486-D552 IonicContact NH2-OD1 3.63Å; R486-D552 PolarHBondContact NH2-OD1 3.04Å; R486-D552 IonicContact NH2-OD2 3.81Å; Y490-D552 VanDerWaalsContact CE2-OD1 3.27Å; Y490-D552 WeakPolarHBondContact CE2-OD1 3.26Å; Y490-D552 PolarHBondContact OH-O 2.73Å; Y490-D552 PolarHBondContact OH-OD1 3.39Å; Y490-D552 PolarHBondContact OH-OD2 2.63Å; H520-D552 IonicContact CD2-OD2 3.72Å; H520-D552 IonicContact CE1-OD2 3.08Å; H520-D552 IonicContact NE2-OD2 3.77Å; H520-D552 PolarHBondContact NE2-OD2 3.08Å; I548-D552 WeakPolarHBondContact O-CB 3.11Å; I548-D552 PolarHBondContact O-N 3.48Å; Q549-D552 PolarHBondContact O-N 3.18Å; K550-D552 VanDerWaalsContact C-N 3.31Å; D552-Q554 PolarHBondContact O-N 3.17Å; D552-V555 WeakPolarHBondContact O-CB 3.42Å; D552-V555 PolarHBondContact O-N 2.87Å; D552-K556 PolarHBondContact O-N 3.48Å; D552-I597 HydrophobicContact CB-CD1 4.22Å
553	G	91.4	Very high	90.8	Very high	27 Å²	27	50.3 Å²	50.3	28%	0.278	24%	0.244	S	C	.	.	H	α-helix	trans	-53.8	-41.3	169.7	0	0	0	0	0	112	Q549 K550 K556 E557	Q549-G553 PolarHBondContact O-N 3.49Å; K550-G553 PolarHBondContact O-N 3.49Å; G553-K556 PolarHBondContact O-N 3.5Å; G553-E557 WeakPolarHBondContact O-CG 3.29Å; G553-E557 PolarHBondContact O-N 3Å; G553-E557 VanDerWaalsContact O-N 3.09Å
554	Q	92.8	Very high	90.8	Very high	70 Å²	70	45.4 Å²	45.4	33%	0.327	23%	0.227	S	C	.	.	H	α-helix	trans	-68.9	-39	175.5	-59.9	174.3	16.6	0	0	112.1	K550 L551 D552 E557 L558 L593	K550-Q554 PolarHBondContact O-N 2.79Å; L551-Q554 WeakPolarHBondContact O-CB 3.3Å; L551-Q554 PolarHBondContact O-N 3.43Å; L551-Q554 VanDerWaalsContact O-N 3.12Å; D552-Q554 PolarHBondContact O-N 3.17Å; Q554-E557 PolarHBondContact O-N 3.25Å; Q554-L558 WeakPolarHBondContact O-CG 2.97Å; Q554-L558 PolarHBondContact O-N 3.02Å; Q554-L593 HydrophobicContact CB-CD1 3.63Å
555	V	91.7	Very high	90.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-45.8	174.5	174.2	0	0	0	0	110.7	Y490 L551 D552 E557 L558 V559 R590 L593 I594 I597	Y490-V555 HydrophobicContact CD2-CB 4.5Å; Y490-V555 HydrophobicContact CD2-CG1 3.4Å; Y490-V555 HydrophobicContact CE2-CB 4.04Å; Y490-V555 HydrophobicContact CE2-CG1 3.38Å; Y490-V555 HydrophobicContact CG-CG1 4Å; L551-V555 PolarHBondContact O-N 3.25Å; D552-V555 WeakPolarHBondContact O-CB 3.42Å; D552-V555 PolarHBondContact O-N 2.87Å; V555-E557 PolarHBondContact O-N 2.85Å; V555-L558 PolarHBondContact O-N 3.42Å; V555-V559 HydrophobicContact CG1-CG2 4.4Å; V555-V559 WeakPolarHBondContact O-CG2 3.4Å; V555-V559 PolarHBondContact O-N 3.38Å; V555-R590 HydrophobicContact CG1-CG 4.06Å; V555-L593 HydrophobicContact CG2-CB 3.55Å; V555-L593 HydrophobicContact CG2-CD1 4.07Å; V555-L593 HydrophobicContact CG2-CG 4.48Å; V555-I594 HydrophobicContact CG1-CG1 4.41Å; V555-I594 HydrophobicContact CG2-CG1 4.25Å; V555-I597 HydrophobicContact CG2-CD1 4Å
556	K	91.8	Very high	90.4	Very high	46 Å²	46	43.1 Å²	43.1	20%	0.2	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-47.7	175.2	177.6	177.1	178.5	-179.9	0	111.8	Y490 H520 D552 G553 L558 V559 C560	Y490-K556 HydrophobicContact CE1-CB 4.03Å; H520-K556 VanDerWaalsContact CE1-CD 3.42Å; H520-K556 WeakPolarHBondContact CE1-CD 3.33Å; H520-K556 VanDerWaalsContact ND1-CD 3.29Å; H520-K556 WeakPolarHBondContact ND1-CD 3.19Å; H520-K556 PolarHBondContact ND1-NZ 3.39Å; D552-K556 PolarHBondContact O-N 3.48Å; G553-K556 PolarHBondContact O-N 3.5Å; K556-L558 VanDerWaalsContact C-N 3.29Å; K556-L558 PolarHBondContact O-N 3.3Å; K556-V559 PolarHBondContact O-N 3.05Å; K556-C560 PolarHBondContact O-N 3.04Å; K556-C560 PolarHBondContact O-SG 2.87Å; K556-C560 VanDerWaalsContact O-SG 3.4Å
557	E	90.9	Very high	90.3	Very high	138 Å²	138	44.7 Å²	44.7	65%	0.645	22%	0.219	S	C	*	.	H	α-helix	trans	-58.3	-42	178.3	-74.8	176.3	-174	0	0	111.9	G553 Q554 V555 C560 R561	G553-E557 WeakPolarHBondContact O-CG 3.29Å; G553-E557 PolarHBondContact O-N 3Å; G553-E557 VanDerWaalsContact O-N 3.09Å; Q554-E557 PolarHBondContact O-N 3.25Å; V555-E557 PolarHBondContact O-N 2.85Å; E557-C560 PolarHBondContact O-N 2.9Å; E557-R561 WeakPolarHBondContact O-CB 3.33Å; E557-R561 PolarHBondContact O-N 3.31Å
558	L	90.6	Very high	90.1	Very high	19 Å²	19	45.1 Å²	45.1	10%	0.099	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-38.5	176	-66.6	179.3	0	0	0	112.6	Q554 V555 K556 R561 S562 L586 R589 R590 L593	Q554-L558 WeakPolarHBondContact O-CG 2.97Å; Q554-L558 PolarHBondContact O-N 3.02Å; V555-L558 PolarHBondContact O-N 3.42Å; K556-L558 VanDerWaalsContact C-N 3.29Å; K556-L558 PolarHBondContact O-N 3.3Å; L558-R561 PolarHBondContact O-N 3.41Å; L558-S562 WeakPolarHBondContact O-CB 3.41Å; L558-S562 PolarHBondContact O-N 3.42Å; L558-L586 HydrophobicContact CD2-CD2 3.78Å; L558-R589 HydrophobicContact CD1-CB 4.13Å; L558-R589 HydrophobicContact CD1-CG 3.99Å; L558-R590 HydrophobicContact CD1-CB 4.12Å; L558-L593 HydrophobicContact CD1-CD1 3.7Å
559	V	88.8	Confident	89.8	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-65.1	-44.3	175.1	171.8	0	0	0	0	110.8	Y490 M493 L516 V555 K556 R561 S562 C563	Y490-V559 HydrophobicContact CD1-CB 4.26Å; Y490-V559 HydrophobicContact CD1-CG1 4.3Å; Y490-V559 HydrophobicContact CD1-CG2 3.77Å; Y490-V559 HydrophobicContact CG-CG2 3.99Å; M493-V559 HydrophobicContact CB-CG1 3.91Å; L516-V559 HydrophobicContact CD2-CG1 4.1Å; V555-V559 HydrophobicContact CG1-CG2 4.4Å; V555-V559 WeakPolarHBondContact O-CG2 3.4Å; V555-V559 PolarHBondContact O-N 3.38Å; K556-V559 PolarHBondContact O-N 3.05Å; V559-R561 VanDerWaalsContact C-N 3.32Å; V559-R561 PolarHBondContact O-N 2.87Å; V559-S562 PolarHBondContact O-N 3.4Å; V559-C563 PolarHBondContact O-N 3.01Å
560	C	87.9	Confident	89.5	Confident	45 Å²	45	47.1 Å²	47.1	30%	0.304	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-41	174.1	-70.4	0	0	0	0	111.6	K556 E557 C563 S564	K556-C560 PolarHBondContact O-N 3.04Å; K556-C560 PolarHBondContact O-SG 2.87Å; K556-C560 VanDerWaalsContact O-SG 3.4Å; E557-C560 PolarHBondContact O-N 2.9Å; C560-C563 WeakPolarHBondContact O-CB 3.43Å; C560-C563 PolarHBondContact O-N 3.2Å; C560-S564 PolarHBondContact O-N 3.34Å; C560-S564 PolarHBondContact O-OG 3.31Å
561	R	88.9	Confident	89.1	Confident	148 Å²	148	42.4 Å²	42.4	56%	0.558	22%	0.223	S	C	*	.	H	α-helix	trans	-65.5	-40.5	176.3	-171.2	172.1	177.8	178.5	2.1	112.3	E557 L558 V559 C563 S564 E565 L586	E557-R561 WeakPolarHBondContact O-CB 3.33Å; E557-R561 PolarHBondContact O-N 3.31Å; L558-R561 PolarHBondContact O-N 3.41Å; V559-R561 VanDerWaalsContact C-N 3.32Å; V559-R561 PolarHBondContact O-N 2.87Å; R561-C563 VanDerWaalsContact C-N 3.32Å; R561-C563 PolarHBondContact O-N 3.45Å; R561-S564 PolarHBondContact O-N 3.38Å; R561-E565 WeakPolarHBondContact O-CG 3.39Å; R561-E565 PolarHBondContact O-N 2.88Å; R561-L586 HydrophobicContact CG-CD1 4.14Å; R561-L586 HydrophobicContact CG-CD2 4.19Å
562	S	87.2	Confident	88.5	Confident	7 Å²	7	44.9 Å²	44.9	5%	0.049	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-42.5	174.3	-175.3	0	0	0	0	111.7	L558 V559 E565 A566	L558-S562 WeakPolarHBondContact O-CB 3.41Å; L558-S562 PolarHBondContact O-N 3.42Å; V559-S562 PolarHBondContact O-N 3.4Å; S562-E565 PolarHBondContact O-N 2.87Å; S562-A566 PolarHBondContact O-N 3.17Å
563	C	87.1	Confident	88.2	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-48.8	174.3	-176.9	0	0	0	0	112	V497 V559 C560 R561 E565 A566 E567	V497-C563 HydrophobicContact CG2-CB 4Å; V559-C563 PolarHBondContact O-N 3.01Å; C560-C563 WeakPolarHBondContact O-CB 3.43Å; C560-C563 PolarHBondContact O-N 3.2Å; R561-C563 VanDerWaalsContact C-N 3.32Å; R561-C563 PolarHBondContact O-N 3.45Å; C563-E565 PolarHBondContact O-N 3.35Å; C563-A566 WeakPolarHBondContact O-CB 3.46Å; C563-A566 PolarHBondContact O-N 3.48Å; C563-E567 PolarHBondContact O-N 3.01Å
564	S	88.1	Confident	88	Confident	50 Å²	50	52.6 Å²	52.6	35%	0.35	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-36.9	177.2	-64.7	0	0	0	0	113.7	C560 R561 A566 E567 R568	C560-S564 PolarHBondContact O-N 3.34Å; C560-S564 PolarHBondContact O-OG 3.31Å; R561-S564 PolarHBondContact O-N 3.38Å; S564-A566 VanDerWaalsContact C-N 3.34Å; S564-E567 PolarHBondContact O-N 3.3Å; S564-R568 WeakPolarHBondContact O-CG 3.28Å; S564-R568 PolarHBondContact O-N 2.86Å
565	E	87.1	Confident	87.8	Confident	23 Å²	23	57 Å²	57	11%	0.107	30%	0.298	C	S	.	.	H	α-helix	trans	-67.8	-34.7	174.6	-72	-60.6	135	0	0	111.8	R561 S562 C563 R568 L569 Y579 L586	R561-E565 WeakPolarHBondContact O-CG 3.39Å; R561-E565 PolarHBondContact O-N 2.88Å; S562-E565 PolarHBondContact O-N 2.87Å; C563-E565 PolarHBondContact O-N 3.35Å; E565-R568 PolarHBondContact O-N 2.95Å; E565-R568 IonicContact OE1-CZ 3.73Å; E565-R568 IonicContact OE1-NH1 2.83Å; E565-R568 PolarHBondContact OE1-NH1 3.39Å; E565-R568 IonicContact OE2-NH1 3.77Å; E565-L569 PolarHBondContact O-N 2.89Å; E565-Y579 VanDerWaalsContact C-CE2 3.49Å; E565-Y579 HydrophobicContact CB-CD2 4.14Å; E565-Y579 HydrophobicContact CB-CE2 3.84Å; E565-Y579 WeakPolarHBondContact O-CE2 3.47Å; E565-L586 HydrophobicContact CG-CD1 4.45Å
566	A	86.6	Confident	87.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65.1	-40.1	173.7	0	0	0	0	0	112	V497 Y500 K501 S562 C563 S564 R568 L569 V570	V497-A566 HydrophobicContact CG1-CB 3.6Å; Y500-A566 HydrophobicContact CD1-CB 4.5Å; K501-A566 HydrophobicContact CG-CB 4.5Å; S562-A566 PolarHBondContact O-N 3.17Å; C563-A566 WeakPolarHBondContact O-CB 3.46Å; C563-A566 PolarHBondContact O-N 3.48Å; S564-A566 VanDerWaalsContact C-N 3.34Å; A566-R568 VanDerWaalsContact C-N 3.33Å; A566-R568 PolarHBondContact O-N 3.28Å; A566-L569 PolarHBondContact O-N 3.42Å; A566-V570 WeakPolarHBondContact O-CG2 3.43Å; A566-V570 PolarHBondContact O-N 2.89Å
567	E	87.9	Confident	87.2	Confident	56 Å²	56	69.9 Å²	69.9	26%	0.262	36%	0.356	S	S	.	.	H	α-helix	trans	-60.6	-40.8	171.3	-68.5	179.1	145.2	0	0	112	Y500 L509 C563 S564 G571	Y500-E567 HydrophobicContact CE1-CG 4.15Å; L509-E567 HydrophobicContact CD2-CG 3.51Å; C563-E567 PolarHBondContact O-N 3.01Å; S564-E567 PolarHBondContact O-N 3.3Å; E567-G571 PolarHBondContact O-N 3.39Å
568	R	88	Confident	86.9	Confident	112 Å²	112	67 Å²	67	42%	0.423	35%	0.348	S	S	.	.	H	α-helix	trans	-66.6	-37.1	176.7	-70.7	176.3	69.4	-175.8	3.9	112.8	S564 E565 A566 G572 K573 V574	S564-R568 WeakPolarHBondContact O-CG 3.28Å; S564-R568 PolarHBondContact O-N 2.86Å; E565-R568 PolarHBondContact O-N 2.95Å; E565-R568 IonicContact OE1-CZ 3.73Å; E565-R568 IonicContact OE1-NH1 2.83Å; E565-R568 PolarHBondContact OE1-NH1 3.39Å; E565-R568 IonicContact OE2-NH1 3.77Å; A566-R568 VanDerWaalsContact C-N 3.33Å; A566-R568 PolarHBondContact O-N 3.28Å; R568-G572 PolarHBondContact O-N 2.87Å; R568-K573 HydrophobicContact CB-CB 4.36Å; R568-K573 PolarHBondContact O-N 3.4Å; R568-V574 HydrophobicContact CB-CG2 3.85Å; R568-V574 PolarHBondContact O-N 3.32Å
569	L	87.8	Confident	86.8	Confident	44 Å²	44	66.4 Å²	66.4	23%	0.23	35%	0.345	C	S	.	.	H	α-helix	trans	-65.3	-53.8	174.4	177	72	0	0	0	111.3	E565 A566 G571 G572 Y579	E565-L569 PolarHBondContact O-N 2.89Å; A566-L569 PolarHBondContact O-N 3.42Å; L569-G571 VanDerWaalsContact C-N 3.28Å; L569-G571 PolarHBondContact O-N 2.92Å; L569-G572 PolarHBondContact O-N 3.24Å; L569-Y579 HydrophobicContact CB-CD2 3.87Å; L569-Y579 HydrophobicContact CB-CE2 4.25Å; L569-Y579 HydrophobicContact CB-CG 4.05Å; L569-Y579 HydrophobicContact CD1-CD1 4.33Å; L569-Y579 HydrophobicContact CD1-CG 4.04Å; L569-Y579 HydrophobicContact CD2-CD1 3.57Å; L569-Y579 HydrophobicContact CD2-CD2 4.32Å; L569-Y579 HydrophobicContact CD2-CE1 3.7Å; L569-Y579 HydrophobicContact CD2-CE2 4.46Å; L569-Y579 HydrophobicContact CD2-CG 3.89Å; L569-Y579 HydrophobicContact CG-CD1 4.36Å; L569-Y579 HydrophobicContact CG-CG 4.2Å
570	V	85.9	Confident	86.8	Confident	33 Å²	33	70.7 Å²	70.7	20%	0.2	37%	0.366	C	S	.	.	H	α-helix	trans	-64.6	-35.6	-177.9	174.9	0	0	0	0	111.1	Y500 R504 A566 G572	Y500-V570 HydrophobicContact CD1-CG2 4.15Å; Y500-V570 HydrophobicContact CE1-CB 3.84Å; Y500-V570 HydrophobicContact CE1-CG1 4.3Å; Y500-V570 HydrophobicContact CE1-CG2 3.65Å; R504-V570 HydrophobicContact CB-CG1 4.24Å; R504-V570 HydrophobicContact CG-CG1 3.81Å; A566-V570 WeakPolarHBondContact O-CG2 3.43Å; A566-V570 PolarHBondContact O-N 2.89Å; V570-G572 PolarHBondContact O-N 3Å
571	G	84.3	Confident	86.8	Confident	51 Å²	51	75.5 Å²	75.5	53%	0.526	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	4.3	173.9	0	0	0	0	0	115.3	E567 L569 K573	E567-G571 PolarHBondContact O-N 3.39Å; L569-G571 VanDerWaalsContact C-N 3.28Å; L569-G571 PolarHBondContact O-N 2.92Å; G571-K573 PolarHBondContact O-N 2.95Å
572	G	82	Confident	86.8	Confident	67 Å²	67	70 Å²	70	69%	0.691	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	12	176.1	0	0	0	0	0	115.4	R568 L569 V570	R568-G572 PolarHBondContact O-N 2.87Å; L569-G572 PolarHBondContact O-N 3.24Å; V570-G572 PolarHBondContact O-N 3Å
573	K	85.1	Confident	86.8	Confident	168 Å²	168	72.1 Å²	72.1	73%	0.73	38%	0.378	S	S	*	.	S	Bend	trans	-83.8	-10	-176.1	-63.4	-178.6	179.3	177	0	113.5	R568 G571	R568-K573 HydrophobicContact CB-CB 4.36Å; R568-K573 PolarHBondContact O-N 3.4Å; G571-K573 PolarHBondContact O-N 2.95Å
574	V	87.4	Confident	86.9	Confident	22 Å²	22	79.9 Å²	79.9	13%	0.133	41%	0.411	C	S	.	.	S	Bend	trans	-138.3	138.5	-179.6	175.6	0	0	0	0	109.2	R568 T578	R568-V574 HydrophobicContact CB-CG2 3.85Å; R568-V574 PolarHBondContact O-N 3.32Å; V574-T578 HydrophobicContact CG1-CG2 4.21Å
575	K	87.9	Confident	87	Confident	163 Å²	163	81.2 Å²	81.2	71%	0.709	42%	0.421	S	S	*	.			trans	-68.9	144.8	175.1	-67.8	-176.3	179.6	-178.9	0	110.4	E577 T578 Y579	K575-E577 VanDerWaalsContact C-N 3.27Å; K575-E577 PolarHBondContact O-N 3.47Å; K575-T578 PolarHBondContact O-N 3.36Å; K575-T578 VanDerWaalsContact O-N 3.13Å; K575-Y579 PolarHBondContact O-N 3.06Å
576	K	85.5	Confident	87.1	Confident	155 Å²	155	80.7 Å²	80.7	67%	0.674	42%	0.418	S	S	*	.	H	α-helix	trans	-53.5	-41.2	-177.8	-171.8	178.7	179.3	-177.4	0	113.1	Y579 I580	K576-Y579 PolarHBondContact O-N 3.11Å; K576-I580 HydrophobicContact CG-CD1 4.02Å; K576-I580 VanDerWaalsContact O-CG1 3.29Å; K576-I580 WeakPolarHBondContact O-CG1 3.47Å; K576-I580 PolarHBondContact O-N 3.37Å
577	E	86.1	Confident	87.2	Confident	161 Å²	161	83.3 Å²	83.3	75%	0.752	44%	0.435	S	S	*	.	H	α-helix	trans	-62.7	-47.2	178.8	-68.9	171	177.7	0	0	112.2	K575 Y579 I580 E581	K575-E577 VanDerWaalsContact C-N 3.27Å; K575-E577 PolarHBondContact O-N 3.47Å; E577-Y579 VanDerWaalsContact C-N 3.3Å; E577-Y579 PolarHBondContact O-N 3.21Å; E577-I580 PolarHBondContact O-N 3.4Å; E577-E581 PolarHBondContact O-N 3.36Å; E577-E581 VanDerWaalsContact O-N 3.17Å
578	T	85.8	Confident	87.4	Confident	79 Å²	79	84.6 Å²	84.6	49%	0.485	45%	0.45	S	S	.	.	H	α-helix	trans	-64.1	-35.2	177.5	-46.8	0	0	0	0	112.2	V574 K575 S582	V574-T578 HydrophobicContact CG1-CG2 4.21Å; K575-T578 PolarHBondContact O-N 3.36Å; K575-T578 VanDerWaalsContact O-N 3.13Å; T578-S582 WeakPolarHBondContact O-CB 3.36Å; T578-S582 PolarHBondContact O-N 3.13Å; T578-S582 VanDerWaalsContact O-N 3.11Å
579	Y	88.5	Confident	87.6	Confident	6 Å²	6	86.7 Å²	86.7	2%	0.024	46%	0.457	C	S	.	.	H	α-helix	trans	-66.6	-45.2	174.8	175.7	-96.1	0	0	0	112.2	K501 E565 L569 K575 K576 E577 E581 S582 E583	K501-Y579 WeakPolarHBondContact CE-OH 3.43Å; K501-Y579 PolarHBondContact NZ-OH 3.04Å; E565-Y579 VanDerWaalsContact C-CE2 3.49Å; E565-Y579 HydrophobicContact CB-CD2 4.14Å; E565-Y579 HydrophobicContact CB-CE2 3.84Å; E565-Y579 WeakPolarHBondContact O-CE2 3.47Å; L569-Y579 HydrophobicContact CB-CD2 3.87Å; L569-Y579 HydrophobicContact CB-CE2 4.25Å; L569-Y579 HydrophobicContact CB-CG 4.05Å; L569-Y579 HydrophobicContact CD1-CD1 4.33Å; L569-Y579 HydrophobicContact CD1-CG 4.04Å; L569-Y579 HydrophobicContact CD2-CD1 3.57Å; L569-Y579 HydrophobicContact CD2-CD2 4.32Å; L569-Y579 HydrophobicContact CD2-CE1 3.7Å; L569-Y579 HydrophobicContact CD2-CE2 4.46Å; L569-Y579 HydrophobicContact CD2-CG 3.89Å; L569-Y579 HydrophobicContact CG-CD1 4.36Å; L569-Y579 HydrophobicContact CG-CG 4.2Å; K575-Y579 PolarHBondContact O-N 3.06Å; K576-Y579 PolarHBondContact O-N 3.11Å; E577-Y579 VanDerWaalsContact C-N 3.3Å; E577-Y579 PolarHBondContact O-N 3.21Å; Y579-E581 VanDerWaalsContact C-N 3.28Å; Y579-E581 PolarHBondContact O-N 3.27Å; Y579-S582 PolarHBondContact O-N 3.21Å; Y579-E583 HydrophobicContact CE1-CB 4.16Å; Y579-E583 HydrophobicContact CE1-CG 4.48Å; Y579-E583 WeakPolarHBondContact CE1-OE2 3.4Å; Y579-E583 WeakPolarHBondContact O-CB 3.43Å; Y579-E583 PolarHBondContact O-N 2.98Å; Y579-E583 PolarHBondContact OH-OE1 2.96Å
580	I	86.7	Confident	87.7	Confident	91 Å²	91	86 Å²	86	47%	0.467	45%	0.452	S	S	.	.	H	α-helix	trans	-60.1	-41	179.7	-70.3	165.7	0	0	0	110.7	K576 E577 K584	K576-I580 HydrophobicContact CG-CD1 4.02Å; K576-I580 VanDerWaalsContact O-CG1 3.29Å; K576-I580 WeakPolarHBondContact O-CG1 3.47Å; K576-I580 PolarHBondContact O-N 3.37Å; E577-I580 PolarHBondContact O-N 3.4Å; I580-K584 VanDerWaalsContact O-CB 3.3Å; I580-K584 WeakPolarHBondContact O-CB 3.29Å; I580-K584 PolarHBondContact O-N 3.48Å
581	E	89.2	Confident	87.9	Confident	146 Å²	146	89.9 Å²	89.9	68%	0.682	47%	0.468	S	S	*	.	H	α-helix	trans	-66.5	-43.2	176.8	-168.9	174.2	-166.7	0	0	112.2	E577 Y579 K584 S585	E577-E581 PolarHBondContact O-N 3.36Å; E577-E581 VanDerWaalsContact O-N 3.17Å; Y579-E581 VanDerWaalsContact C-N 3.28Å; Y579-E581 PolarHBondContact O-N 3.27Å; E581-K584 PolarHBondContact O-N 3.05Å; E581-S585 PolarHBondContact O-N 3.05Å; E581-S585 VanDerWaalsContact O-N 3.08Å
582	S	87.8	Confident	88.3	Confident	33 Å²	33	91.7 Å²	91.7	23%	0.231	46%	0.463	C	S	.	.	H	α-helix	trans	-63.1	-46.5	175.3	-175.3	0	0	0	0	112.3	T578 Y579 K584 S585 L586	T578-S582 WeakPolarHBondContact O-CB 3.36Å; T578-S582 PolarHBondContact O-N 3.13Å; T578-S582 VanDerWaalsContact O-N 3.11Å; Y579-S582 PolarHBondContact O-N 3.21Å; S582-K584 PolarHBondContact O-N 3Å; S582-S585 WeakPolarHBondContact O-CB 2.89Å; S582-S585 PolarHBondContact O-N 3.4Å; S582-L586 WeakPolarHBondContact O-CG 3.4Å; S582-L586 PolarHBondContact O-N 3.32Å
583	E	87.6	Confident	88.8	Confident	51 Å²	51	88.9 Å²	88.9	24%	0.238	43%	0.432	C	S	.	.	H	α-helix	trans	-63.1	-41.5	178.5	-177.9	174.9	-146.6	0	0	111.5	K501 Y579 S585 L586 T587	K501-E583 IonicContact NZ-OE1 3.7Å; K501-E583 PolarHBondContact NZ-OE1 3.21Å; K501-E583 IonicContact NZ-OE2 3.59Å; Y579-E583 HydrophobicContact CE1-CB 4.16Å; Y579-E583 HydrophobicContact CE1-CG 4.48Å; Y579-E583 WeakPolarHBondContact CE1-OE2 3.4Å; Y579-E583 WeakPolarHBondContact O-CB 3.43Å; Y579-E583 PolarHBondContact O-N 2.98Å; Y579-E583 PolarHBondContact OH-OE1 2.96Å; E583-S585 VanDerWaalsContact C-N 3.34Å; E583-S585 PolarHBondContact O-N 3.44Å; E583-L586 PolarHBondContact O-N 2.78Å; E583-T587 VanDerWaalsContact O-CB 3.25Å; E583-T587 WeakPolarHBondContact O-CB 3.44Å; E583-T587 PolarHBondContact O-N 3.43Å; E583-T587 PolarHBondContact O-OG1 2.93Å
584	K	89.4	Confident	89	Confident	166 Å²	166	82 Å²	82	72%	0.722	40%	0.403	S	S	*	.	H	α-helix	trans	-61.6	-42.9	175.1	-172.2	178.8	-179.1	-177.7	0	111.6	I580 E581 S582 S588	I580-K584 VanDerWaalsContact O-CB 3.3Å; I580-K584 WeakPolarHBondContact O-CB 3.29Å; I580-K584 PolarHBondContact O-N 3.48Å; E581-K584 PolarHBondContact O-N 3.05Å; S582-K584 PolarHBondContact O-N 3Å; K584-S588 VanDerWaalsContact O-CB 3.3Å; K584-S588 WeakPolarHBondContact O-CB 3.48Å; K584-S588 PolarHBondContact O-N 3.48Å
585	S	91	Very high	89.3	Confident	78 Å²	78	83.5 Å²	83.5	55%	0.545	41%	0.414	S	S	.	.	H	α-helix	trans	-64.5	-47.5	176.8	-177.5	0	0	0	0	112.3	E581 S582 E583 S588 R589	E581-S585 PolarHBondContact O-N 3.05Å; E581-S585 VanDerWaalsContact O-N 3.08Å; S582-S585 WeakPolarHBondContact O-CB 2.89Å; S582-S585 PolarHBondContact O-N 3.4Å; E583-S585 VanDerWaalsContact C-N 3.34Å; E583-S585 PolarHBondContact O-N 3.44Å; S585-S588 PolarHBondContact O-N 3.36Å; S585-R589 WeakPolarHBondContact O-CB 3.48Å; S585-R589 PolarHBondContact O-N 3.03Å
586	L	89	Confident	89.5	Confident	12 Å²	12	81.8 Å²	81.8	6%	0.063	40%	0.403	C	S	.	.	H	α-helix	trans	-63.7	-42.1	178.1	-68.8	174.5	0	0	0	112.1	L558 R561 E565 S582 E583 R589 R590	L558-L586 HydrophobicContact CD2-CD2 3.78Å; R561-L586 HydrophobicContact CG-CD1 4.14Å; R561-L586 HydrophobicContact CG-CD2 4.19Å; E565-L586 HydrophobicContact CG-CD1 4.45Å; S582-L586 WeakPolarHBondContact O-CG 3.4Å; S582-L586 PolarHBondContact O-N 3.32Å; E583-L586 PolarHBondContact O-N 2.78Å; L586-R589 PolarHBondContact O-N 3Å; L586-R590 VanDerWaalsContact O-CB 3.28Å; L586-R590 WeakPolarHBondContact O-CB 3.45Å; L586-R590 PolarHBondContact O-N 3.18Å
587	T	88.3	Confident	89.7	Confident	56 Å²	56	74.4 Å²	74.4	34%	0.344	37%	0.371	S	S	.	.	H	α-helix	trans	-66.3	-44.7	179.1	-56.6	0	0	0	0	111.2	E583 R589 R590 Q591	E583-T587 VanDerWaalsContact O-CB 3.25Å; E583-T587 WeakPolarHBondContact O-CB 3.44Å; E583-T587 PolarHBondContact O-N 3.43Å; E583-T587 PolarHBondContact O-OG1 2.93Å; T587-R589 PolarHBondContact O-N 3.46Å; T587-R590 PolarHBondContact O-N 3.44Å; T587-Q591 WeakPolarHBondContact O-CB 3.39Å; T587-Q591 PolarHBondContact O-N 2.78Å
588	S	91.3	Very high	89.9	Confident	82 Å²	82	69.5 Å²	69.5	57%	0.573	35%	0.35	S	S	*	.	H	α-helix	trans	-58.8	-48.5	176.3	-175.4	0	0	0	0	111.5	K584 S585 R590 Q591 E592	K584-S588 VanDerWaalsContact O-CB 3.3Å; K584-S588 WeakPolarHBondContact O-CB 3.48Å; K584-S588 PolarHBondContact O-N 3.48Å; S585-S588 PolarHBondContact O-N 3.36Å; S588-R590 VanDerWaalsContact C-N 3.33Å; S588-R590 PolarHBondContact O-N 3.07Å; S588-Q591 PolarHBondContact O-N 3.36Å; S588-E592 PolarHBondContact O-N 3.25Å
589	R	92.2	Very high	90.1	Very high	156 Å²	156	69.5 Å²	69.5	59%	0.589	35%	0.353	S	S	*	.	H	α-helix	trans	-66.6	-35	179.8	-166.8	167.5	-177	158.3	-0.1	112.7	L558 S585 L586 T587 E592 L593	L558-R589 HydrophobicContact CD1-CB 4.13Å; L558-R589 HydrophobicContact CD1-CG 3.99Å; S585-R589 WeakPolarHBondContact O-CB 3.48Å; S585-R589 PolarHBondContact O-N 3.03Å; L586-R589 PolarHBondContact O-N 3Å; T587-R589 PolarHBondContact O-N 3.46Å; R589-E592 PolarHBondContact O-N 2.95Å; R589-L593 WeakPolarHBondContact O-CG 3.44Å; R589-L593 PolarHBondContact O-N 3.01Å; R589-L593 VanDerWaalsContact O-N 3.15Å
590	R	90.1	Very high	90.1	Very high	30 Å²	30	70.5 Å²	70.5	11%	0.113	36%	0.359	C	S	.	.	H	α-helix	trans	-66.6	-42.3	174.2	-174.2	178.2	62.8	-176.5	5.4	111.5	D494 V555 L558 L586 T587 S588 E592 L593 I594	D494-R590 IonicContact OD1-CZ 2.84Å; D494-R590 IonicContact OD1-NH1 3.8Å; D494-R590 PolarHBondContact OD1-NH1 3.3Å; D494-R590 IonicContact OD1-NH2 3.8Å; D494-R590 IonicContact OD2-CZ 3.79Å; D494-R590 IonicContact OD2-NH1 3.95Å; D494-R590 PolarHBondContact OD2-NH1 3.27Å; D494-R590 IonicContact OD2-NH2 3.13Å; D494-R590 PolarHBondContact OD2-NH2 3.05Å; V555-R590 HydrophobicContact CG1-CG 4.06Å; L558-R590 HydrophobicContact CD1-CB 4.12Å; L586-R590 VanDerWaalsContact O-CB 3.28Å; L586-R590 WeakPolarHBondContact O-CB 3.45Å; L586-R590 PolarHBondContact O-N 3.18Å; T587-R590 PolarHBondContact O-N 3.44Å; S588-R590 VanDerWaalsContact C-N 3.33Å; S588-R590 PolarHBondContact O-N 3.07Å; R590-E592 VanDerWaalsContact C-N 3.3Å; R590-E592 PolarHBondContact O-N 3.06Å; R590-L593 PolarHBondContact O-N 3.49Å; R590-I594 HydrophobicContact CG-CD1 3.9Å; R590-I594 HydrophobicContact CG-CG1 4.44Å; R590-I594 WeakPolarHBondContact O-CG1 3.41Å; R590-I594 PolarHBondContact O-N 3.33Å
591	Q	90.1	Very high	90.2	Very high	115 Å²	115	66.8 Å²	66.8	54%	0.537	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-38.4	177.4	-170.3	62.1	29.6	0	0	111.6	T587 S588 I594 S595	T587-Q591 WeakPolarHBondContact O-CB 3.39Å; T587-Q591 PolarHBondContact O-N 2.78Å; S588-Q591 PolarHBondContact O-N 3.36Å; Q591-I594 PolarHBondContact O-N 3.2Å; Q591-S595 WeakPolarHBondContact O-CB 3.44Å; Q591-S595 PolarHBondContact O-N 3.03Å; Q591-S595 PolarHBondContact O-OG 3.37Å
592	E	93.2	Very high	90	Very high	89 Å²	89	66.7 Å²	66.7	42%	0.416	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-40.3	174	-171.8	-168.6	164.2	0	0	112.5	S588 R589 R590 S595 R596	S588-E592 PolarHBondContact O-N 3.25Å; R589-E592 PolarHBondContact O-N 2.95Å; R590-E592 VanDerWaalsContact C-N 3.3Å; R590-E592 PolarHBondContact O-N 3.06Å; E592-S595 PolarHBondContact O-OG 3.4Å; E592-R596 WeakPolarHBondContact O-CG 3.43Å; E592-R596 PolarHBondContact O-N 2.88Å; E592-R596 IonicContact OE1-CZ 3.71Å; E592-R596 IonicContact OE1-NE 3.63Å; E592-R596 IonicContact OE1-NH2 3.29Å; E592-R596 PolarHBondContact OE1-NH2 2.95Å
593	L	91.9	Very high	89.7	Confident	8 Å²	8	67.2 Å²	67.2	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-70.8	-39.7	177.2	-70.1	175	0	0	0	112.1	L551 Q554 V555 L558 R589 R590 R596 I597	L551-L593 HydrophobicContact CD2-CD2 3.87Å; Q554-L593 HydrophobicContact CB-CD1 3.63Å; V555-L593 HydrophobicContact CG2-CB 3.55Å; V555-L593 HydrophobicContact CG2-CD1 4.07Å; V555-L593 HydrophobicContact CG2-CG 4.48Å; L558-L593 HydrophobicContact CD1-CD1 3.7Å; R589-L593 WeakPolarHBondContact O-CG 3.44Å; R589-L593 PolarHBondContact O-N 3.01Å; R589-L593 VanDerWaalsContact O-N 3.15Å; R590-L593 PolarHBondContact O-N 3.49Å; L593-R596 PolarHBondContact O-N 2.86Å; L593-I597 WeakPolarHBondContact O-CG1 3.44Å; L593-I597 PolarHBondContact O-N 2.79Å
594	I	91.2	Very high	89.2	Confident	24 Å²	24	67.7 Å²	67.7	12%	0.123	35%	0.354	C	S	.	.	H	α-helix	trans	-64.4	-43.3	175.9	-67.7	171.3	0	0	0	110.2	L487 V555 R590 Q591 R596 I597 D598	L487-I594 HydrophobicContact CD2-CG1 4.17Å; L487-I594 HydrophobicContact CD2-CG2 4.44Å; V555-I594 HydrophobicContact CG1-CG1 4.41Å; V555-I594 HydrophobicContact CG2-CG1 4.25Å; R590-I594 HydrophobicContact CG-CD1 3.9Å; R590-I594 HydrophobicContact CG-CG1 4.44Å; R590-I594 WeakPolarHBondContact O-CG1 3.41Å; R590-I594 PolarHBondContact O-N 3.33Å; Q591-I594 PolarHBondContact O-N 3.2Å; I594-R596 VanDerWaalsContact C-N 3.28Å; I594-R596 PolarHBondContact O-N 3.24Å; I594-I597 CarbonylContact O-C 3.59Å; I594-I597 WeakPolarHBondContact O-CA 3.45Å; I594-I597 WeakPolarHBondContact O-CB 3.35Å; I594-I597 PolarHBondContact O-N 2.88Å; I594-D598 VanDerWaalsContact O-CG 3.3Å; I594-D598 PolarHBondContact O-N 2.98Å
595	S	91.8	Very high	89.2	Confident	53 Å²	53	62.8 Å²	62.8	37%	0.371	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-32.2	177.8	66.7	0	0	0	0	113.1	Q591 E592 S599	Q591-S595 WeakPolarHBondContact O-CB 3.44Å; Q591-S595 PolarHBondContact O-N 3.03Å; Q591-S595 PolarHBondContact O-OG 3.37Å; E592-S595 PolarHBondContact O-OG 3.4Å; S595-S599 WeakPolarHBondContact O-CB 3.31Å; S595-S599 PolarHBondContact O-N 3.36Å; S595-S599 PolarHBondContact O-OG 3.4Å
596	R	92.6	Very high	89.1	Confident	126 Å²	126	61.9 Å²	61.9	48%	0.475	33%	0.325	S	S	.	.	H	α-helix	trans	-68.6	-40.5	170.7	-72.9	179.7	-174.6	179.3	6.1	112.3	L551 E592 L593 I594 D598 S599 L600	L551-R596 HydrophobicContact CD1-CB 3.89Å; E592-R596 WeakPolarHBondContact O-CG 3.43Å; E592-R596 PolarHBondContact O-N 2.88Å; E592-R596 IonicContact OE1-CZ 3.71Å; E592-R596 IonicContact OE1-NE 3.63Å; E592-R596 IonicContact OE1-NH2 3.29Å; E592-R596 PolarHBondContact OE1-NH2 2.95Å; L593-R596 PolarHBondContact O-N 2.86Å; I594-R596 VanDerWaalsContact C-N 3.28Å; I594-R596 PolarHBondContact O-N 3.24Å; R596-D598 VanDerWaalsContact C-N 3.35Å; R596-S599 PolarHBondContact O-N 3.16Å; R596-L600 WeakPolarHBondContact O-CG 3.39Å; R596-L600 PolarHBondContact O-N 2.88Å
597	I	91	Very high	89.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-46.7	173.7	-70.1	166.4	0	0	0	109.8	V483 L487 I548 L551 D552 V555 L593 I594 S599 L600 L601	V483-I597 HydrophobicContact CG1-CG2 4.03Å; L487-I597 HydrophobicContact CD1-CG2 4.45Å; I548-I597 HydrophobicContact CG2-CG2 4.13Å; L551-I597 HydrophobicContact CB-CD1 3.96Å; L551-I597 HydrophobicContact CB-CG1 3.66Å; L551-I597 HydrophobicContact CD1-CG1 4.03Å; D552-I597 HydrophobicContact CB-CD1 4.22Å; V555-I597 HydrophobicContact CG2-CD1 4Å; L593-I597 WeakPolarHBondContact O-CG1 3.44Å; L593-I597 PolarHBondContact O-N 2.79Å; I594-I597 CarbonylContact O-C 3.59Å; I594-I597 WeakPolarHBondContact O-CA 3.45Å; I594-I597 WeakPolarHBondContact O-CB 3.35Å; I594-I597 PolarHBondContact O-N 2.88Å; I597-S599 VanDerWaalsContact C-N 3.34Å; I597-S599 PolarHBondContact O-N 3.09Å; I597-L600 PolarHBondContact O-N 3.06Å; I597-L600 VanDerWaalsContact O-N 3.12Å; I597-L601 HydrophobicContact CG2-CD1 4.03Å; I597-L601 HydrophobicContact CG2-CG 4.25Å; I597-L601 WeakPolarHBondContact O-CG 3.4Å; I597-L601 PolarHBondContact O-N 2.89Å
598	D	89.8	Confident	89.2	Confident	59 Å²	59	65.2 Å²	65.2	32%	0.316	34%	0.339	S	S	.	.	H	α-helix	trans	-60.4	-42.8	178.1	-65.7	-24.2	0	0	0	111.3	I594 R596 L600 L601 D602	I594-D598 VanDerWaalsContact O-CG 3.3Å; I594-D598 PolarHBondContact O-N 2.98Å; R596-D598 VanDerWaalsContact C-N 3.35Å; D598-L600 VanDerWaalsContact C-N 3.28Å; D598-L600 PolarHBondContact O-N 3.21Å; D598-L601 WeakPolarHBondContact O-CB 3.43Å; D598-L601 PolarHBondContact O-N 3.44Å; D598-L601 VanDerWaalsContact O-N 3.13Å; D598-D602 PolarHBondContact O-N 2.86Å
599	S	90.5	Very high	89.1	Confident	79 Å²	79	64.2 Å²	64.2	55%	0.552	33%	0.325	S	S	*	.	H	α-helix	trans	-62.4	-34.3	176	-56.5	0	0	0	0	113	S595 R596 I597	S595-S599 WeakPolarHBondContact O-CB 3.31Å; S595-S599 PolarHBondContact O-N 3.36Å; S595-S599 PolarHBondContact O-OG 3.4Å; R596-S599 PolarHBondContact O-N 3.16Å; I597-S599 VanDerWaalsContact C-N 3.34Å; I597-S599 PolarHBondContact O-N 3.09Å
600	L	88.4	Confident	88.8	Confident	27 Å²	27	58.1 Å²	58.1	14%	0.141	31%	0.307	C	S	.	.	H	α-helix	trans	-75.7	-34.5	175.3	-71.6	171.1	0	0	0	111.7	E547 I548 L551 R596 I597 D598 A603 L604	E547-L600 HydrophobicContact CB-CD1 4.04Å; E547-L600 HydrophobicContact CG-CD1 3.68Å; I548-L600 HydrophobicContact CD1-CB 3.86Å; I548-L600 HydrophobicContact CG1-CB 3.65Å; I548-L600 HydrophobicContact CG1-CD1 3.88Å; I548-L600 HydrophobicContact CG1-CG 4.44Å; L551-L600 HydrophobicContact CD1-CD1 3.65Å; R596-L600 WeakPolarHBondContact O-CG 3.39Å; R596-L600 PolarHBondContact O-N 2.88Å; I597-L600 PolarHBondContact O-N 3.06Å; I597-L600 VanDerWaalsContact O-N 3.12Å; D598-L600 VanDerWaalsContact C-N 3.28Å; D598-L600 PolarHBondContact O-N 3.21Å; L600-A603 PolarHBondContact O-N 3.25Å; L600-L604 WeakPolarHBondContact O-CG 3.36Å; L600-L604 PolarHBondContact O-N 3.04Å
601	L	87.4	Confident	88.8	Confident	12 Å²	12	60.1 Å²	60.1	6%	0.063	32%	0.321	C	S	.	.	H	α-helix	trans	-66	-39.5	174.1	-72.1	176.5	0	0	0	111.9	L480 V483 I548 I597 D598 A603 L604	L480-L601 HydrophobicContact CD1-CB 4.17Å; L480-L601 HydrophobicContact CD1-CD1 4.14Å; L480-L601 HydrophobicContact CD1-CD2 3.8Å; L480-L601 HydrophobicContact CD1-CG 4.26Å; V483-L601 HydrophobicContact CB-CD2 4.16Å; V483-L601 HydrophobicContact CG1-CD1 3.85Å; V483-L601 HydrophobicContact CG1-CD2 3.99Å; V483-L601 HydrophobicContact CG1-CG 4.35Å; V483-L601 HydrophobicContact CG2-CD2 4.42Å; I548-L601 HydrophobicContact CD1-CD2 3.87Å; I548-L601 HydrophobicContact CD1-CG 4.34Å; I597-L601 HydrophobicContact CG2-CD1 4.03Å; I597-L601 HydrophobicContact CG2-CG 4.25Å; I597-L601 WeakPolarHBondContact O-CG 3.4Å; I597-L601 PolarHBondContact O-N 2.89Å; D598-L601 WeakPolarHBondContact O-CB 3.43Å; D598-L601 PolarHBondContact O-N 3.44Å; D598-L601 VanDerWaalsContact O-N 3.13Å; L601-A603 PolarHBondContact O-N 3.35Å; L601-L604 HydrophobicContact CD2-CD1 3.91Å; L601-L604 WeakPolarHBondContact O-CB 3.39Å; L601-L604 PolarHBondContact O-N 3.4Å
602	D	85.8	Confident	88.7	Confident	144 Å²	144	55.8 Å²	55.8	77%	0.77	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.6	174.8	-72.3	-20.6	0	0	0	112.6	D598	D598-D602 PolarHBondContact O-N 2.86Å
603	A	81.1	Confident	88.3	Confident	45 Å²	45	53.1 Å²	53.1	37%	0.372	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-0.6	179.1	0	0	0	0	0	113.6	K544 L600 L601	K544-A603 PolarHBondContact NZ-O 3.3Å; L600-A603 PolarHBondContact O-N 3.25Å; L601-A603 PolarHBondContact O-N 3.35Å
604	L	77.8	Confident	87.9	Confident	60 Å²	60	57.2 Å²	57.2	31%	0.314	32%	0.318	S	S	.	.			trans	-88.6	0	172	-77.7	179.3	0	0	0	110.3	T476 L541 K544 V545 I548 L600 L601	T476-L604 HydrophobicContact CG2-CB 3.74Å; L541-L604 HydrophobicContact CB-CD2 3.91Å; L541-L604 HydrophobicContact CD2-CD2 4.05Å; L541-L604 HydrophobicContact CG-CD2 4.4Å; K544-L604 HydrophobicContact CB-CD2 3.89Å; K544-L604 HydrophobicContact CD-CD2 4.31Å; V545-L604 HydrophobicContact CG2-CD1 4.21Å; V545-L604 HydrophobicContact CG2-CD2 4Å; I548-L604 HydrophobicContact CD1-CD1 3.65Å; I548-L604 HydrophobicContact CD1-CG 4.35Å; L600-L604 WeakPolarHBondContact O-CG 3.36Å; L600-L604 PolarHBondContact O-N 3.04Å; L601-L604 HydrophobicContact CD2-CD1 3.91Å; L601-L604 WeakPolarHBondContact O-CB 3.39Å; L601-L604 PolarHBondContact O-N 3.4Å

Retrieved 604 of 604 residues in 887.6 ms (Link to these results)

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