A0A087X8C2_POEFO Loading...

Pellino E3 ubiquitin protein ligase family member 2

AlphaFold DB , UniProt , Accession A0A087X8C2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 424 aa.

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(Predicted Aligned Error values between residue pairs)

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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	35.8	Very low	33.5	Very low	237 Å²	237	157.1 Å²	157.1	100%	1.167	85%	0.853	S	S	*	*				0	94.6	0	-77.5	174	173.7	0	0	107.1
2	F	30	Very low	34.5	Very low	219 Å²	219	154.5 Å²	154.5	96%	0.961	85%	0.85	S	S	*	*			trans	-109.2	120.8	175.8	-79.2	-78.4	0	0	0	107.8
3	S	30.7	Very low	35.8	Very low	116 Å²	116	149.8 Å²	149.8	81%	0.811	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-63.5	134.4	-174.2	-178.8	0	0	0	0	111.2
4	S	32.4	Very low	38	Very low	103 Å²	103	154.1 Å²	154.1	72%	0.72	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-53.8	130.3	171	41.6	0	0	0	0	112.1	Q6	S4-Q6 PolarHBondContact O-N 3.2Å
5	S	32.9	Very low	40.7	Very low	114 Å²	114	152.1 Å²	152.1	80%	0.797	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-58.3	117.4	166.7	45	0	0	0	0	110.2	E7	S5-E7 PolarHBondContact O-N 3.35Å
6	Q	33.9	Very low	43.6	Very low	185 Å²	185	147.3 Å²	147.3	86%	0.864	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-65.3	122.7	168.6	-77	176.7	-11.4	0	0	108.9	S4 E8	S4-Q6 PolarHBondContact O-N 3.2Å; Q6-E8 PolarHBondContact O-N 3.15Å
7	E	34.4	Very low	46.7	Very low	178 Å²	178	141.6 Å²	141.6	83%	0.832	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-56.4	117.3	164	-70	172	147.8	0	0	108.5	S5 H9	S5-E7 PolarHBondContact O-N 3.35Å; E7-H9 VanDerWaalsContact C-N 3.35Å; E7-H9 PolarHBondContact O-N 2.87Å
8	E	32.5	Very low	49.5	Very low	192 Å²	192	137.8 Å²	137.8	90%	0.897	75%	0.752	S	S	*	*			trans	-64.6	97.1	168.9	-83.9	-176.1	147.8	0	0	108.7	Q6 C10	Q6-E8 PolarHBondContact O-N 3.15Å; E8-C10 PolarHBondContact O-N 3.24Å
9	H	33.6	Very low	52.1	Low	182 Å²	182	131.2 Å²	131.2	84%	0.843	72%	0.715	S	S	*	*			trans	-61.6	98	164.8	-108.1	-64.4	0	0	0	108.7	E7 A11	E7-H9 VanDerWaalsContact C-N 3.35Å; E7-H9 PolarHBondContact O-N 2.87Å; H9-A11 PolarHBondContact O-N 3.16Å; H9-A11 VanDerWaalsContact O-N 3.11Å
10	C	35.9	Very low	54.4	Low	121 Å²	121	124.7 Å²	124.7	82%	0.818	68%	0.68	S	S	*	*			trans	-59.7	114.4	170.3	-166.6	0	0	0	0	108.6	E8	E8-C10 PolarHBondContact O-N 3.24Å
11	A	36.6	Very low	56.5	Low	81 Å²	81	119.9 Å²	119.9	67%	0.669	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-57.1	142.7	177	0	0	0	0	0	110.4	H9 S13	H9-A11 PolarHBondContact O-N 3.16Å; H9-A11 VanDerWaalsContact O-N 3.11Å; A11-S13 PolarHBondContact O-N 2.87Å
12	P	45.9	Very low	59.5	Low	126 Å²	126	108.7 Å²	108.7	82%	0.818	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-62	123.7	177.7	23.7	-30.9	0	0	0	109.7	K14	P12-K14 PolarHBondContact O-N 2.83Å
13	S	51.5	Low	62.8	Low	93 Å²	93	98.3 Å²	98.3	65%	0.65	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-54.9	136.6	175.2	60.6	0	0	0	0	110.1	A11 D15	A11-S13 PolarHBondContact O-N 2.87Å; S13-D15 PolarHBondContact O-N 3.36Å; S13-D15 VanDerWaalsContact O-N 3.15Å
14	K	66.6	Low	66	Low	211 Å²	211	93 Å²	93	92%	0.917	52%	0.515	S	S	*	.	S	Bend	trans	-64.7	-14.2	177.9	-74.9	-178.7	177.2	176.5	0	113.6	P12	P12-K14 PolarHBondContact O-N 2.83Å
15	D	77.4	Confident	69.1	Low	123 Å²	123	88.3 Å²	88.3	66%	0.658	48%	0.482	S	S	*	.	S	Bend	trans	-81.8	138.2	-179.5	-64.1	-39	0	0	0	111.6	S13 V17	S13-D15 PolarHBondContact O-N 3.36Å; S13-D15 VanDerWaalsContact O-N 3.15Å; D15-V17 PolarHBondContact O-N 3.27Å
16	P	88	Confident	72	Confident	76 Å²	76	83.1 Å²	83.1	49%	0.494	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-62.5	136.9	176.2	27.3	-34.2	0	0	0	110.3	K18 L46	P16-K18 PolarHBondContact O-N 2.9Å; P16-L46 HydrophobicContact CB-CB 4.5Å; P16-L46 HydrophobicContact CG-CD1 4.07Å
17	V	96.3	Very high	74.8	Confident	51 Å²	51	75.4 Å²	75.4	31%	0.309	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-53.8	124.7	177.7	177.2	0	0	0	0	109.9	D15 L46 K47 Y151	D15-V17 PolarHBondContact O-N 3.27Å; V17-L46 CarbonylContact O-C 3.59Å; V17-L46 WeakPolarHBondContact O-CA 3.48Å; V17-K47 HydrophobicContact CB-CB 3.91Å; V17-K47 HydrophobicContact CB-CD 4.27Å; V17-K47 HydrophobicContact CG2-CD 4.39Å; V17-K47 WeakPolarHBondContact O-CB 3.5Å; V17-K47 PolarHBondContact O-N 2.83Å; V17-Y151 HydrophobicContact CG1-CD1 4.41Å; V17-Y151 HydrophobicContact CG1-CD2 4.37Å; V17-Y151 HydrophobicContact CG1-CE1 4.14Å; V17-Y151 HydrophobicContact CG1-CE2 4.1Å
18	K	97.6	Very high	77.6	Confident	73 Å²	73	68.6 Å²	68.6	32%	0.317	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.5	173.9	-176.6	172.5	-175.1	176	0	109.4	P16 G20 E21 L46 A258	P16-K18 PolarHBondContact O-N 2.9Å; K18-G20 WeakPolarHBondContact CE-O 3.48Å; K18-E21 WeakPolarHBondContact CE-OE2 3.27Å; K18-E21 IonicContact NZ-OE2 3.28Å; K18-E21 PolarHBondContact NZ-OE2 2.83Å; K18-L46 HydrophobicContact CB-CD2 3.73Å; K18-L46 HydrophobicContact CD-CD2 4.45Å; K18-L46 HydrophobicContact CG-CD2 3.86Å; K18-A258 HydrophobicContact CB-CB 4.46Å; K18-A258 HydrophobicContact CG-CB 4.4Å; K18-A258 VanDerWaalsContact O-CB 3.28Å; K18-A258 WeakPolarHBondContact O-CB 3.17Å
19	Y	98.4	Very high	80.3	Confident	12 Å²	12	60 Å²	60	5%	0.047	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-41	173.1	-59.4	-49.2	0	0	0	111.1	L45 K47 D100 F102 C145 E146 R147 Y151 A258	Y19-L45 HydrophobicContact CD2-CB 4.34Å; Y19-L45 PolarHBondContact N-O 3.21Å; Y19-K47 HydrophobicContact CE1-CB 4.13Å; Y19-K47 VanDerWaalsContact CE2-CA 3.44Å; Y19-K47 HydrophobicContact CE2-CB 4.06Å; Y19-K47 WeakPolarHBondContact OH-CA 3.17Å; Y19-K47 WeakPolarHBondContact OH-CB 3.39Å; Y19-K47 VanDerWaalsContact OH-CG 3.26Å; Y19-K47 WeakPolarHBondContact OH-CG 3.28Å; Y19-D100 HydrophobicContact CE2-CB 3.99Å; Y19-D100 WeakPolarHBondContact CE2-OD2 3.33Å; Y19-D100 PolarHBondContact OH-OD2 2.89Å; Y19-F102 AromaticContact CD2-CE2 3.91Å; Y19-F102 HydrophobicContact CD2-CE2 3.91Å; Y19-F102 HydrophobicContact CD2-CZ 4.12Å; Y19-F102 HydrophobicContact CE2-CE2 4Å; Y19-F102 HydrophobicContact CE2-CZ 4.1Å; Y19-C145 HydrophobicContact CD1-CB 3.98Å; Y19-C145 HydrophobicContact CD2-CB 3.47Å; Y19-C145 VanDerWaalsContact CD2-CB 3.47Å; Y19-C145 HydrophobicContact CE1-CB 4.14Å; Y19-C145 HydrophobicContact CE2-CB 3.65Å; Y19-C145 HydrophobicContact CG-CB 3.64Å; Y19-E146 WeakPolarHBondContact CE1-O 3.29Å; Y19-R147 WeakPolarHBondContact OH-CG 3.27Å; Y19-Y151 HydrophobicContact CD1-CD1 4.34Å; Y19-Y151 HydrophobicContact CD1-CG 4.28Å; Y19-Y151 AromaticContact CE1-CD1 3.87Å; Y19-Y151 HydrophobicContact CE1-CD1 3.87Å; Y19-Y151 HydrophobicContact CE1-CG 4.27Å; Y19-A258 PolarHBondContact O-N 3.07Å
20	G	98.3	Very high	83	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167	-161.1	-179.4	0	0	0	0	0	111.5	K18 L45 W255 R256	K18-G20 WeakPolarHBondContact CE-O 3.48Å; G20-L45 PolarHBondContact O-N 2.92Å; G20-W255 VanDerWaalsContact CA-CH2 3.49Å; G20-R256 CarbonylContact C-O 3.55Å; G20-R256 WeakPolarHBondContact CA-O 3.15Å
21	E	98.4	Very high	85.4	Confident	25 Å²	25	48.9 Å²	48.9	12%	0.117	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	137.3	-178.3	-162.8	161.8	133.5	0	0	111.5	K18 V23 R42 F43 A44 R256 L261	K18-E21 WeakPolarHBondContact CE-OE2 3.27Å; K18-E21 IonicContact NZ-OE2 3.28Å; K18-E21 PolarHBondContact NZ-OE2 2.83Å; E21-V23 HydrophobicContact CG-CG2 4.17Å; E21-R42 VanDerWaalsContact OE1-CD 3.29Å; E21-R42 WeakPolarHBondContact OE1-CD 3.34Å; E21-F43 WeakPolarHBondContact CA-O 3.34Å; E21-F43 WeakPolarHBondContact CG-O 3.49Å; E21-A44 HydrophobicContact CG-CB 4.49Å; E21-R256 PolarHBondContact N-O 2.91Å; E21-R256 PolarHBondContact O-N 3.19Å; E21-L261 HydrophobicContact CB-CD1 3.57Å
22	L	98.8	Very high	87.6	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.2	166.6	-70.6	170.8	0	0	0	109.2	R42 F43 L45 I104 F114 V143 L253 L254 W255	L22-R42 CarbonylContact O-C 3.6Å; L22-R42 WeakPolarHBondContact O-CA 3.44Å; L22-F43 PolarHBondContact N-O 2.7Å; L22-F43 PolarHBondContact O-N 3.33Å; L22-L45 HydrophobicContact CD1-CD1 4.21Å; L22-L45 HydrophobicContact CG-CD1 4.16Å; L22-I104 HydrophobicContact CD1-CD1 3.86Å; L22-I104 HydrophobicContact CD1-CG1 3.87Å; L22-F114 HydrophobicContact CB-CD1 4.32Å; L22-F114 HydrophobicContact CB-CE1 4.07Å; L22-F114 HydrophobicContact CD1-CD1 4.36Å; L22-V143 HydrophobicContact CD1-CG2 4.29Å; L22-L253 HydrophobicContact CD1-CD1 4.41Å; L22-L253 HydrophobicContact CD2-CB 4.37Å; L22-L253 HydrophobicContact CD2-CD1 4.45Å; L22-L254 CarbonylContact C-O 3.55Å; L22-L254 WeakPolarHBondContact CA-O 3.41Å; L22-W255 HydrophobicContact CD2-CB 4.19Å; L22-W255 HydrophobicContact CD2-CE3 3.9Å; L22-W255 HydrophobicContact CG-CE3 4.08Å
23	V	98.4	Very high	89.3	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.8	-179.2	-174.7	0	0	0	0	109.6	E21 R42 L253 L254 E356 A358 F359	E21-V23 HydrophobicContact CG-CG2 4.17Å; V23-R42 HydrophobicContact CB-CG 4.27Å; V23-R42 HydrophobicContact CG1-CG 3.81Å; V23-R42 HydrophobicContact CG2-CG 3.98Å; V23-L253 CarbonylContact O-C 3.46Å; V23-L253 WeakPolarHBondContact O-CA 3.45Å; V23-L254 HydrophobicContact CB-CB 4.46Å; V23-L254 PolarHBondContact N-O 3.34Å; V23-L254 PolarHBondContact O-N 3.48Å; V23-E356 HydrophobicContact CG1-CG 3.79Å; V23-A358 HydrophobicContact CB-CB 4.38Å; V23-A358 HydrophobicContact CG1-CB 4.35Å; V23-A358 HydrophobicContact CG2-CB 3.71Å; V23-F359 HydrophobicContact CB-CE1 4.13Å; V23-F359 HydrophobicContact CG1-CE1 3.51Å; V23-F359 HydrophobicContact CG1-CZ 3.58Å
24	V	97.8	Very high	90.8	Very high	4 Å²	4	44 Å²	44	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	124.8	178.5	-166.3	0	0	0	0	109.8	Y27 S41 F114 L253	V24-Y27 HydrophobicContact CB-CD2 4.06Å; V24-Y27 HydrophobicContact CB-CE2 4.47Å; V24-Y27 HydrophobicContact CG1-CD2 3.67Å; V24-Y27 HydrophobicContact CG1-CE2 3.67Å; V24-S41 PolarHBondContact N-O 2.84Å; V24-F114 HydrophobicContact CG2-CE1 4.08Å; V24-F114 HydrophobicContact CG2-CZ 3.57Å; V24-L253 HydrophobicContact CB-CD2 4.13Å; V24-L253 HydrophobicContact CG1-CD2 4.15Å; V24-L253 HydrophobicContact CG2-CD2 3.74Å
25	L	97.2	Very high	91.7	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	144.5	172.8	-70.4	147.5	0	0	0	110.5	L245 T252 F359 W385 P402	L25-L245 HydrophobicContact CD1-CD2 3.92Å; L25-T252 WeakPolarHBondContact CB-O 3.5Å; L25-T252 HydrophobicContact CD1-CG2 3.6Å; L25-T252 PolarHBondContact N-O 3.36Å; L25-F359 HydrophobicContact CD2-CD1 4.28Å; L25-F359 HydrophobicContact CD2-CE1 3.83Å; L25-F359 HydrophobicContact CD2-CZ 3.99Å; L25-F359 HydrophobicContact CG-CE1 4.26Å; L25-F359 HydrophobicContact CG-CZ 4.32Å; L25-W385 HydrophobicContact CD2-CH2 3.67Å; L25-W385 HydrophobicContact CD2-CZ2 4.32Å; L25-W385 HydrophobicContact CD2-CZ3 3.86Å; L25-P402 HydrophobicContact CD2-CB 3.46Å; L25-P402 VanDerWaalsContact CD2-CB 3.46Å
26	G	94.9	Very high	92.1	Very high	4 Å²	4	40 Å²	40	4%	0.041	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	5.5	170.1	0	0	0	0	0	116.8	P402 F403 C404	G26-P402 PolarHBondContact N-O 3.42Å; G26-F403 CarbonylContact C-O 3.56Å; G26-F403 WeakPolarHBondContact CA-O 3.32Å; G26-C404 WeakPolarHBondContact O-CA 3.44Å
27	Y	91.8	Very high	92.3	Very high	24 Å²	24	39.3 Å²	39.3	9%	0.094	22%	0.224	C	C	.	.	S	Bend	trans	-123.7	8.6	-179.1	-62.6	-59.5	0	0	0	114.9	V24 G29 S30 L31 P32 D118 T119 F403	V24-Y27 HydrophobicContact CB-CD2 4.06Å; V24-Y27 HydrophobicContact CB-CE2 4.47Å; V24-Y27 HydrophobicContact CG1-CD2 3.67Å; V24-Y27 HydrophobicContact CG1-CE2 3.67Å; Y27-G29 PolarHBondContact O-N 3.04Å; Y27-S30 CarbonylContact O-C 3.55Å; Y27-S30 PolarHBondContact O-N 2.93Å; Y27-L31 HydrophobicContact CD1-CD2 4.33Å; Y27-L31 HydrophobicContact CD2-CD2 3.38Å; Y27-L31 HydrophobicContact CE1-CD2 4.46Å; Y27-L31 HydrophobicContact CE2-CD2 3.53Å; Y27-L31 HydrophobicContact CG-CD2 3.78Å; Y27-P32 HydrophobicContact CD1-CG 4Å; Y27-P32 HydrophobicContact CE1-CG 3.87Å; Y27-D118 PolarHBondContact OH-O 2.8Å; Y27-T119 WeakPolarHBondContact OH-CA 3.23Å; Y27-F403 CarbonylContact C-O 3.54Å; Y27-F403 PolarHBondContact N-O 3.18Å; Y27-F403 VanDerWaalsContact N-O 3.1Å
28	N	93	Very high	92.1	Very high	34 Å²	34	41 Å²	41	18%	0.182	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	38.4	175.9	-157.8	17.8	0	0	0	114.7	L353 C355 F403	N28-L353 PolarHBondContact ND2-O 3.36Å; N28-L353 VanDerWaalsContact ND2-O 3.13Å; N28-C355 PolarHBondContact OD1-N 3.25Å; N28-F403 HydrophobicContact CB-CB 4.08Å; N28-F403 WeakPolarHBondContact CB-O 3.47Å; N28-F403 PolarHBondContact N-O 2.88Å; N28-F403 WeakPolarHBondContact OD1-CD1 3.31Å
29	G	89.8	Confident	91.9	Very high	13 Å²	13	42.1 Å²	42.1	13%	0.134	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	5.2	176.9	0	0	0	0	0	116.3	Y27 S41 E356	Y27-G29 PolarHBondContact O-N 3.04Å; G29-S41 VanDerWaalsContact C-OG 3.29Å; G29-S41 PolarHBondContact O-OG 3.36Å; G29-E356 VanDerWaalsContact CA-OE2 3.23Å; G29-E356 WeakPolarHBondContact CA-OE2 3.29Å
30	S	89.5	Confident	91.6	Very high	62 Å²	62	45.7 Å²	45.7	43%	0.434	24%	0.243	S	C	.	.	S	Bend	trans	-154.2	133.2	170.8	178	0	0	0	0	112.3	Y27	Y27-S30 CarbonylContact O-C 3.55Å; Y27-S30 PolarHBondContact O-N 2.93Å
31	L	88.3	Confident	91.5	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.037	24%	0.243	C	C	.	.			trans	-62.7	154.7	173.4	-62	177.6	0	0	0	112.1	Y27 N33 G34 D35 R39	Y27-L31 HydrophobicContact CD1-CD2 4.33Å; Y27-L31 HydrophobicContact CD2-CD2 3.38Å; Y27-L31 HydrophobicContact CE1-CD2 4.46Å; Y27-L31 HydrophobicContact CE2-CD2 3.53Å; Y27-L31 HydrophobicContact CG-CD2 3.78Å; L31-N33 PolarHBondContact O-N 2.87Å; L31-N33 VanDerWaalsContact O-N 3.16Å; L31-G34 WeakPolarHBondContact O-CA 3.39Å; L31-G34 PolarHBondContact O-N 3.42Å; L31-D35 WeakPolarHBondContact CG-OD1 3.46Å; L31-D35 PolarHBondContact N-OD1 3.19Å; L31-R39 HydrophobicContact CD1-CG 3.54Å
32	P	82.1	Confident	91.3	Very high	66 Å²	66	48.1 Å²	48.1	43%	0.429	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.2	-177.8	-27.3	35.1	0	0	0	114.6	Y27 R300	Y27-P32 HydrophobicContact CD1-CG 4Å; Y27-P32 HydrophobicContact CE1-CG 3.87Å; P32-R300 PolarHBondContact O-NH2 2.68Å
33	N	80.3	Confident	91.3	Very high	106 Å²	106	49.8 Å²	49.8	57%	0.567	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	12.8	177.6	-66.3	-30.5	0	0	0	113.2	L31 R36	L31-N33 PolarHBondContact O-N 2.87Å; L31-N33 VanDerWaalsContact O-N 3.16Å; N33-R36 PolarHBondContact O-NE 2.76Å
34	G	83.3	Confident	91.3	Very high	26 Å²	26	51.5 Å²	51.5	27%	0.268	27%	0.272	S	S	.	.			trans	73.8	160.3	-171.8	0	0	0	0	0	113.4	L31 R36	L31-G34 WeakPolarHBondContact O-CA 3.39Å; L31-G34 PolarHBondContact O-N 3.42Å; G34-R36 PolarHBondContact O-N 3.46Å
35	D	86.2	Confident	91.3	Very high	60 Å²	60	51.3 Å²	51.3	32%	0.321	27%	0.271	S	S	.	.			trans	-75.5	121.5	176.1	-78.3	7.6	0	0	0	110.1	L31 R39 K40 S41	L31-D35 WeakPolarHBondContact CG-OD1 3.46Å; L31-D35 PolarHBondContact N-OD1 3.19Å; D35-R39 CarbonylContact C-O 3.6Å; D35-K40 HydrophobicContact CB-CB 4.26Å; D35-K40 HydrophobicContact CB-CG 4.03Å; D35-K40 WeakPolarHBondContact OD1-CA 2.86Å; D35-S41 VanDerWaalsContact CG-N 3.31Å; D35-S41 PolarHBondContact OD1-N 3.25Å; D35-S41 PolarHBondContact OD2-N 3Å; D35-S41 VanDerWaalsContact OD2-N 3.07Å; D35-S41 PolarHBondContact OD2-OG 3.43Å
36	R	86.8	Confident	91.4	Very high	190 Å²	190	54.4 Å²	54.4	72%	0.717	29%	0.287	S	S	*	.	B	Isolated β-bridge	trans	-136.2	119.9	-177.1	-63.2	-173.7	-170.4	-166	-0.3	111.8	N33 G34 R38 R39	N33-R36 PolarHBondContact O-NE 2.76Å; G34-R36 PolarHBondContact O-N 3.46Å; R36-R38 PolarHBondContact O-N 2.93Å; R36-R38 VanDerWaalsContact O-N 3.12Å; R36-R39 PolarHBondContact N-O 3.13Å; R36-R39 PolarHBondContact O-N 3.31Å
37	G	90.5	Very high	91.5	Very high	60 Å²	60	57.4 Å²	57.4	62%	0.619	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	-113.9	175.8	0	0	0	0	0	112.4	K40	G37-K40 WeakPolarHBondContact O-CE 3.34Å; G37-K40 PolarHBondContact O-NZ 3.08Å
38	R	92.6	Very high	91.8	Very high	87 Å²	87	59.5 Å²	59.5	33%	0.328	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-10.2	176.5	-69.2	-179.4	-78	140.1	-2.5	113.9	R36 T108 E109 I112 D113 V115	R36-R38 PolarHBondContact O-N 2.93Å; R36-R38 VanDerWaalsContact O-N 3.12Å; R38-T108 PolarHBondContact NH2-O 3.15Å; R38-E109 PolarHBondContact NH1-O 2.93Å; R38-I112 WeakPolarHBondContact CD-O 3.5Å; R38-I112 PolarHBondContact NH1-O 3.49Å; R38-D113 WeakPolarHBondContact CG-O 3.41Å; R38-V115 HydrophobicContact CB-CG2 3.82Å; R38-V115 PolarHBondContact O-N 3.16Å
39	R	92.6	Very high	92	Very high	96 Å²	96	64.8 Å²	64.8	36%	0.362	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-91.6	100.7	176	-176.5	-179.7	-176.4	-175.9	2.7	108.1	L31 D35 R36 V115 T117	L31-R39 HydrophobicContact CD1-CG 3.54Å; D35-R39 CarbonylContact C-O 3.6Å; R36-R39 PolarHBondContact N-O 3.13Å; R36-R39 PolarHBondContact O-N 3.31Å; R39-V115 HydrophobicContact CB-CB 4.25Å; R39-V115 HydrophobicContact CB-CG1 4.48Å; R39-T117 PolarHBondContact NH2-OG1 2.78Å
40	K	93.9	Very high	92.4	Very high	87 Å²	87	72.3 Å²	72.3	38%	0.378	37%	0.37	S	S	.	.			trans	-139.6	162.2	-173.6	-63.6	179.5	163.3	151.1	0	110.6	D35 G37 R42 F114	D35-K40 HydrophobicContact CB-CB 4.26Å; D35-K40 HydrophobicContact CB-CG 4.03Å; D35-K40 WeakPolarHBondContact OD1-CA 2.86Å; G37-K40 WeakPolarHBondContact O-CE 3.34Å; G37-K40 PolarHBondContact O-NZ 3.08Å; K40-R42 VanDerWaalsContact C-N 3.25Å; K40-R42 VanDerWaalsContact CB-O 3.29Å; K40-R42 WeakPolarHBondContact CB-O 3.29Å; K40-F114 HydrophobicContact CB-CE2 4.22Å; K40-F114 WeakPolarHBondContact O-CE2 3.42Å; K40-F114 WeakPolarHBondContact O-CZ 3.3Å
41	S	94.3	Very high	92.8	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.007	36%	0.358	C	S	.	.	S	Bend	trans	-74	-20.8	169.2	60.1	0	0	0	0	112.5	V24 G29 D35	V24-S41 PolarHBondContact N-O 2.84Å; G29-S41 VanDerWaalsContact C-OG 3.29Å; G29-S41 PolarHBondContact O-OG 3.36Å; D35-S41 VanDerWaalsContact CG-N 3.31Å; D35-S41 PolarHBondContact OD1-N 3.25Å; D35-S41 PolarHBondContact OD2-N 3Å; D35-S41 VanDerWaalsContact OD2-N 3.07Å; D35-S41 PolarHBondContact OD2-OG 3.43Å
42	R	96.3	Very high	93.2	Very high	76 Å²	76	72.5 Å²	72.5	29%	0.287	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.5	-175.4	-69.9	179.7	-79	178.8	4.7	112.3	E21 L22 V23 K40 E356	E21-R42 VanDerWaalsContact OE1-CD 3.29Å; E21-R42 WeakPolarHBondContact OE1-CD 3.34Å; L22-R42 CarbonylContact O-C 3.6Å; L22-R42 WeakPolarHBondContact O-CA 3.44Å; V23-R42 HydrophobicContact CB-CG 4.27Å; V23-R42 HydrophobicContact CG1-CG 3.81Å; V23-R42 HydrophobicContact CG2-CG 3.98Å; K40-R42 VanDerWaalsContact C-N 3.25Å; K40-R42 VanDerWaalsContact CB-O 3.29Å; K40-R42 WeakPolarHBondContact CB-O 3.29Å; R42-E356 WeakPolarHBondContact CD-OE2 3.45Å; R42-E356 IonicContact CZ-OE2 2.86Å; R42-E356 IonicContact NE-OE2 3.85Å; R42-E356 PolarHBondContact NE-OE2 3.22Å; R42-E356 VanDerWaalsContact NE-OE2 3.14Å; R42-E356 IonicContact NH1-OE1 2.69Å; R42-E356 IonicContact NH1-OE2 2.92Å; R42-E356 PolarHBondContact NH1-OE2 2.82Å
43	F	97.8	Very high	94	Very high	36 Å²	36	69.4 Å²	69.4	16%	0.158	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	108	178.7	-178.8	-113.7	0	0	0	111.5	E21 L22 L45 F102 D113 F114	E21-F43 WeakPolarHBondContact CA-O 3.34Å; E21-F43 WeakPolarHBondContact CG-O 3.49Å; L22-F43 PolarHBondContact N-O 2.7Å; L22-F43 PolarHBondContact O-N 3.33Å; F43-L45 HydrophobicContact CD1-CD1 3.42Å; F43-L45 VanDerWaalsContact CD1-CD1 3.42Å; F43-L45 HydrophobicContact CD1-CG 4.2Å; F43-L45 HydrophobicContact CE1-CD1 3.64Å; F43-L45 HydrophobicContact CE1-CG 3.88Å; F43-L45 HydrophobicContact CG-CD1 4.43Å; F43-L45 VanDerWaalsContact O-CD1 3.32Å; F43-L45 WeakPolarHBondContact O-CD1 3.37Å; F43-F102 HydrophobicContact CE1-CB 4.28Å; F43-F102 HydrophobicContact CE1-CD1 4.03Å; F43-F102 HydrophobicContact CE1-CG 4.43Å; F43-F102 HydrophobicContact CZ-CD1 4.01Å; F43-D113 HydrophobicContact CE1-CB 4.12Å; F43-D113 HydrophobicContact CE2-CB 4.32Å; F43-D113 HydrophobicContact CZ-CB 3.63Å; F43-F114 HydrophobicContact CB-CB 4.08Å; F43-F114 HydrophobicContact CB-CD1 3.7Å; F43-F114 HydrophobicContact CB-CD2 3.54Å; F43-F114 HydrophobicContact CB-CE1 3.88Å; F43-F114 HydrophobicContact CB-CE2 3.72Å; F43-F114 HydrophobicContact CB-CG 3.51Å; F43-F114 HydrophobicContact CB-CZ 3.88Å; F43-F114 HydrophobicContact CD1-CB 3.7Å; F43-F114 HydrophobicContact CD1-CD1 4.3Å; F43-F114 HydrophobicContact CD1-CG 4.05Å; F43-F114 HydrophobicContact CD2-CB 4.2Å; F43-F114 HydrophobicContact CD2-CD2 4.39Å; F43-F114 HydrophobicContact CD2-CG 4.42Å; F43-F114 HydrophobicContact CE1-CB 4.19Å; F43-F114 HydrophobicContact CG-CB 3.72Å; F43-F114 HydrophobicContact CG-CD1 4.22Å; F43-F114 HydrophobicContact CG-CD2 4Å; F43-F114 AromaticContact CG-CG 3.75Å; F43-F114 HydrophobicContact CG-CG 3.75Å
44	A	97.7	Very high	94.9	Very high	37 Å²	37	65.3 Å²	65.3	31%	0.306	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	125.9	174.7	0	0	0	0	0	110.5	E21 L46	E21-A44 HydrophobicContact CG-CB 4.49Å; A44-L46 HydrophobicContact CB-CD2 4.44Å
45	L	98.4	Very high	95.5	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.4	175.1	-75.7	70.3	0	0	0	107.8	Y19 G20 L22 F43 F102 V143 W255	Y19-L45 HydrophobicContact CD2-CB 4.34Å; Y19-L45 PolarHBondContact N-O 3.21Å; G20-L45 PolarHBondContact O-N 2.92Å; L22-L45 HydrophobicContact CD1-CD1 4.21Å; L22-L45 HydrophobicContact CG-CD1 4.16Å; F43-L45 HydrophobicContact CD1-CD1 3.42Å; F43-L45 VanDerWaalsContact CD1-CD1 3.42Å; F43-L45 HydrophobicContact CD1-CG 4.2Å; F43-L45 HydrophobicContact CE1-CD1 3.64Å; F43-L45 HydrophobicContact CE1-CG 3.88Å; F43-L45 HydrophobicContact CG-CD1 4.43Å; F43-L45 VanDerWaalsContact O-CD1 3.32Å; F43-L45 WeakPolarHBondContact O-CD1 3.37Å; L45-F102 HydrophobicContact CB-CD2 4.34Å; L45-F102 HydrophobicContact CB-CE1 4.47Å; L45-F102 HydrophobicContact CB-CE2 4.15Å; L45-F102 HydrophobicContact CB-CZ 4.22Å; L45-F102 HydrophobicContact CD2-CB 4.11Å; L45-F102 HydrophobicContact CD2-CD2 3.54Å; L45-F102 HydrophobicContact CD2-CE2 4.1Å; L45-F102 HydrophobicContact CD2-CG 3.83Å; L45-F102 HydrophobicContact CG-CB 4.38Å; L45-F102 HydrophobicContact CG-CD1 4.16Å; L45-F102 HydrophobicContact CG-CD2 3.92Å; L45-F102 HydrophobicContact CG-CE1 4.46Å; L45-F102 HydrophobicContact CG-CE2 4.24Å; L45-F102 HydrophobicContact CG-CG 3.88Å; L45-F102 HydrophobicContact CG-CZ 4.5Å; L45-V143 HydrophobicContact CD2-CB 3.92Å; L45-V143 HydrophobicContact CD2-CG1 3.57Å; L45-W255 HydrophobicContact CD1-CZ3 4.08Å; L45-W255 HydrophobicContact CD2-CH2 4.34Å; L45-W255 HydrophobicContact CD2-CZ3 3.93Å; L45-W255 HydrophobicContact CG-CZ3 4.43Å
46	L	98.3	Very high	95.9	Very high	70 Å²	70	69.8 Å²	69.8	37%	0.366	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.1	-178.9	-55.4	177.6	0	0	0	109.8	P16 V17 K18 A44 R48 F102	P16-L46 HydrophobicContact CB-CB 4.5Å; P16-L46 HydrophobicContact CG-CD1 4.07Å; V17-L46 CarbonylContact O-C 3.59Å; V17-L46 WeakPolarHBondContact O-CA 3.48Å; K18-L46 HydrophobicContact CB-CD2 3.73Å; K18-L46 HydrophobicContact CD-CD2 4.45Å; K18-L46 HydrophobicContact CG-CD2 3.86Å; A44-L46 HydrophobicContact CB-CD2 4.44Å; L46-R48 PolarHBondContact O-N 2.94Å; L46-R48 VanDerWaalsContact O-N 3.14Å; L46-F102 VanDerWaalsContact O-CZ 3.31Å; L46-F102 WeakPolarHBondContact O-CZ 3.16Å
47	K	98.3	Very high	96.2	Very high	67 Å²	67	63.5 Å²	63.5	29%	0.291	33%	0.33	S	S	.	.			trans	-51.7	121.3	173.1	178.8	162.8	-179.2	175.8	0	110.2	V17 Y19 D100 R147	V17-K47 HydrophobicContact CB-CB 3.91Å; V17-K47 HydrophobicContact CB-CD 4.27Å; V17-K47 HydrophobicContact CG2-CD 4.39Å; V17-K47 WeakPolarHBondContact O-CB 3.5Å; V17-K47 PolarHBondContact O-N 2.83Å; Y19-K47 HydrophobicContact CE1-CB 4.13Å; Y19-K47 VanDerWaalsContact CE2-CA 3.44Å; Y19-K47 HydrophobicContact CE2-CB 4.06Å; Y19-K47 WeakPolarHBondContact OH-CA 3.17Å; Y19-K47 WeakPolarHBondContact OH-CB 3.39Å; Y19-K47 VanDerWaalsContact OH-CG 3.26Å; Y19-K47 WeakPolarHBondContact OH-CG 3.28Å; K47-D100 WeakPolarHBondContact CA-OD2 3.43Å; K47-R147 PolarHBondContact NZ-O 2.59Å
48	R	97.8	Very high	96.2	Very high	69 Å²	69	63.7 Å²	63.7	26%	0.26	32%	0.32	S	S	.	.			trans	-72.9	151.5	-179.2	-62.6	-174.4	-175.3	-93.5	8.1	110.1	L46 K50 N52 D100 M101 F102 D113 R147	L46-R48 PolarHBondContact O-N 2.94Å; L46-R48 VanDerWaalsContact O-N 3.14Å; R48-K50 VanDerWaalsContact C-N 3.26Å; R48-K50 VanDerWaalsContact CB-O 3.24Å; R48-K50 WeakPolarHBondContact CB-O 3.49Å; R48-K50 PolarHBondContact O-N 2.94Å; R48-N52 VanDerWaalsContact CD-OD1 3.26Å; R48-N52 WeakPolarHBondContact CD-OD1 3.37Å; R48-N52 PolarHBondContact NE-ND2 3.49Å; R48-N52 PolarHBondContact NE-OD1 3.4Å; R48-D100 HydrophobicContact CG-CB 4.38Å; R48-D100 PolarHBondContact N-OD2 3.35Å; R48-M101 PolarHBondContact NE-O 3.29Å; R48-M101 PolarHBondContact NH2-O 2.82Å; R48-F102 HydrophobicContact CG-CE1 4.36Å; R48-F102 HydrophobicContact CG-CZ 4.26Å; R48-D113 IonicContact CZ-OD1 3.81Å; R48-D113 IonicContact NH1-OD1 2.63Å; R48-D113 IonicContact NH2-OD1 3.19Å; R48-D113 PolarHBondContact NH2-OD1 3.27Å; R48-D113 IonicContact NH2-OD2 3.29Å; R48-D113 PolarHBondContact NH2-OD2 3.05Å; R48-R147 PolarHBondContact O-NH1 2.9Å; R48-R147 PolarHBondContact O-NH2 3.19Å
49	T	96.9	Very high	96.2	Very high	144 Å²	144	63.2 Å²	63.2	88%	0.883	33%	0.327	S	S	*	.	S	Bend	trans	-57.6	-42.3	174.8	53.5	0	0	0	0	111.4
50	K	97.6	Very high	96.1	Very high	171 Å²	171	60.8 Å²	60.8	74%	0.743	32%	0.319	S	S	*	.	S	Bend	trans	-120.5	140.5	171.7	-63.8	-174.7	-179.5	-178.2	0	109.8	R48	R48-K50 VanDerWaalsContact C-N 3.26Å; R48-K50 VanDerWaalsContact CB-O 3.24Å; R48-K50 WeakPolarHBondContact CB-O 3.49Å; R48-K50 PolarHBondContact O-N 2.94Å
51	A	98.3	Very high	95.9	Very high	22 Å²	22	61.7 Å²	61.7	18%	0.182	33%	0.327	C	S	.	.			trans	-56.5	138.6	172.6	0	0	0	0	0	110	H95 K97 D100	A51-H95 PolarHBondContact O-CE1 3.45Å; A51-K97 WeakPolarHBondContact CB-O 3.28Å; A51-D100 WeakPolarHBondContact CA-OD1 3.2Å
52	N	98.3	Very high	95.6	Very high	52 Å²	52	62.9 Å²	62.9	28%	0.278	33%	0.333	S	S	.	.			trans	-129.2	9.2	172.3	76.6	-39.3	0	0	0	112.3	R48 D100 M101	R48-N52 VanDerWaalsContact CD-OD1 3.26Å; R48-N52 WeakPolarHBondContact CD-OD1 3.37Å; R48-N52 PolarHBondContact NE-ND2 3.49Å; R48-N52 PolarHBondContact NE-OD1 3.4Å; N52-D100 WeakPolarHBondContact OD1-CA 3.12Å; N52-M101 PolarHBondContact ND2-O 2.82Å; N52-M101 PolarHBondContact OD1-N 2.76Å; N52-M101 PolarHBondContact OD1-O 2.95Å
53	G	98.2	Very high	94.9	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	158.2	174.2	0	0	0	0	0	112.7	H95 D96 T99	G53-H95 PolarHBondContact O-ND1 3.29Å; G53-D96 PolarHBondContact O-N 2.96Å; G53-T99 WeakPolarHBondContact CA-O 3.16Å; G53-T99 WeakPolarHBondContact CA-OG1 3.27Å; G53-T99 PolarHBondContact N-O 3.41Å
54	V	98.1	Very high	93.4	Very high	21 Å²	21	65.7 Å²	65.7	13%	0.127	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.6	176.8	-64.9	0	0	0	0	111.2	H77 Y93 S94 M101 F160	V54-H77 HydrophobicContact CG1-CB 4.35Å; V54-H77 WeakPolarHBondContact CG1-ND1 3.38Å; V54-Y93 HydrophobicContact CB-CD1 4.23Å; V54-Y93 HydrophobicContact CG2-CD1 3.88Å; V54-S94 CarbonylContact C-O 3.07Å; V54-S94 WeakPolarHBondContact CA-O 3.24Å; V54-S94 WeakPolarHBondContact CB-O 3.48Å; V54-M101 HydrophobicContact CG2-CE 4.27Å; V54-M101 HydrophobicContact CG2-SD 4.09Å; V54-F160 HydrophobicContact CG2-CE2 3.65Å; V54-F160 HydrophobicContact CG2-CZ 3.95Å
55	K	96.6	Very high	91.8	Very high	96 Å²	96	66.6 Å²	66.6	42%	0.417	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	151.2	178.7	62.3	-173.9	173.6	-168.5	0	112	Y93 S94 D96	K55-Y93 VanDerWaalsContact C-CD1 3.44Å; K55-Y93 CarbonylContact O-C 3.46Å; K55-Y93 VanDerWaalsContact O-CA 3.27Å; K55-Y93 WeakPolarHBondContact O-CA 3.46Å; K55-S94 PolarHBondContact N-O 3.32Å; K55-S94 PolarHBondContact O-N 2.76Å; K55-D96 HydrophobicContact CB-CB 4.33Å; K55-D96 HydrophobicContact CD-CB 4.16Å; K55-D96 HydrophobicContact CG-CB 4.17Å; K55-D96 IonicContact NZ-OD1 3.53Å
56	P	95	Very high	90.2	Very high	83 Å²	83	74.1 Å²	74.1	54%	0.539	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	144	177.8	-22.9	31.4	0	0	0	112.1	V91 Y93	P56-V91 HydrophobicContact CB-CG1 4.34Å; P56-Y93 HydrophobicContact CB-CE1 4.46Å; P56-Y93 HydrophobicContact CG-CE1 3.77Å
57	S	92.8	Very high	88.6	Confident	58 Å²	58	74.2 Å²	74.2	41%	0.406	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	-128.6	-177.6	-171.6	0	0	0	0	109.4	E92	S57-E92 WeakPolarHBondContact CA-O 3.18Å; S57-E92 WeakPolarHBondContact CB-O 3.28Å; S57-E92 PolarHBondContact N-O 3.44Å
58	T	91.3	Very high	86.9	Confident	65 Å²	65	71.9 Å²	71.9	40%	0.399	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	142.3	-179.2	-31.6	0	0	0	0	112.7	E92	T58-E92 WeakPolarHBondContact CB-OE2 3.46Å; T58-E92 PolarHBondContact O-N 2.93Å; T58-E92 PolarHBondContact OG1-OE2 3.32Å; T58-E92 VanDerWaalsContact OG1-OE2 3.05Å
59	V	92.4	Very high	85.3	Confident	77 Å²	77	75.9 Å²	75.9	47%	0.467	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.7	171.9	-176.2	0	0	0	0	109.6	V89 V91	V59-V89 HydrophobicContact CG1-CG1 3.59Å; V59-V91 HydrophobicContact CG1-CG2 4.41Å; V59-V91 HydrophobicContact CG2-CG1 4.42Å; V59-V91 HydrophobicContact CG2-CG2 4.23Å
60	H	90.3	Very high	83.6	Confident	45 Å²	45	73.8 Å²	73.8	21%	0.208	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.1	176	-57.1	-77.8	0	0	0	110.2	L62 V89 V90 E92	H60-L62 HydrophobicContact CB-CD2 4.3Å; H60-L62 HydrophobicContact CB-CG 4.38Å; H60-V89 CarbonylContact O-C 3.51Å; H60-V89 WeakPolarHBondContact O-CA 3.26Å; H60-V90 HydrophobicContact CB-CB 4.4Å; H60-V90 PolarHBondContact N-O 2.79Å; H60-V90 PolarHBondContact O-N 2.84Å; H60-E92 IonicContact NE2-OE1 2.65Å; H60-E92 PolarHBondContact NE2-OE1 2.82Å; H60-E92 IonicContact NE2-OE2 2.65Å
61	I	89.5	Confident	82	Confident	106 Å²	106	66.6 Å²	66.6	54%	0.544	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.7	172.4	-56.2	176.5	0	0	0	107	Q87 V89	I61-Q87 HydrophobicContact CG2-CG 4.42Å; I61-V89 HydrophobicContact CG1-CG2 4.49Å
62	L	86.8	Confident	80.3	Confident	26 Å²	26	67 Å²	67	14%	0.136	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.7	-173.2	-55.3	175.5	0	0	0	110.3	H60 D67 S68 V71 Q87 T88 V90	H60-L62 HydrophobicContact CB-CD2 4.3Å; H60-L62 HydrophobicContact CB-CG 4.38Å; L62-D67 HydrophobicContact CB-CB 4.38Å; L62-D67 HydrophobicContact CD1-CB 4.25Å; L62-D67 HydrophobicContact CD2-CB 4.31Å; L62-S68 VanDerWaalsContact CD1-CA 3.46Å; L62-V71 HydrophobicContact CD1-CG2 3.92Å; L62-V71 HydrophobicContact CD2-CG2 4.34Å; L62-Q87 WeakPolarHBondContact O-CA 3.06Å; L62-T88 PolarHBondContact N-O 3.45Å; L62-T88 PolarHBondContact O-N 2.68Å; L62-V90 HydrophobicContact CD1-CG2 3.74Å
63	N	81.7	Confident	78.4	Confident	119 Å²	119	69.7 Å²	69.7	64%	0.636	39%	0.386	S	S	*	.	S	Bend	trans	-87.9	-11.8	-177.1	-65.5	-21.7	0	0	0	113.2	H86	N63-H86 CarbonylContact C-O 3.55Å; N63-H86 VanDerWaalsContact C-O 3.31Å; N63-H86 VanDerWaalsContact CA-O 3.29Å; N63-H86 WeakPolarHBondContact CA-O 3.47Å; N63-H86 CarbonylContact O-C 3.59Å; N63-H86 VanDerWaalsContact O-C 3.23Å; N63-H86 WeakPolarHBondContact O-CA 3.31Å
64	T	67.8	Low	77	Confident	51 Å²	51	76.1 Å²	76.1	31%	0.313	41%	0.414	S	S	.	.	S	Bend	trans	-134.9	145.8	173.2	78.2	0	0	0	0	111.9	Q66 D67	T64-Q66 PolarHBondContact O-N 2.85Å; T64-D67 PolarHBondContact O-N 3.05Å; T64-D67 PolarHBondContact OG1-N 3.32Å; T64-D67 PolarHBondContact OG1-OD2 3.47Å
65	P	62.7	Low	75.9	Confident	56 Å²	56	77.2 Å²	77.2	36%	0.364	43%	0.429	S	S	.	.	H	α-helix	trans	-64.2	-22.4	175.5	-21.7	32.9	0	0	0	113.1	D67 S68 R85	P65-D67 VanDerWaalsContact C-N 3.35Å; P65-S68 WeakPolarHBondContact O-CB 3.45Å; P65-S68 PolarHBondContact O-N 2.93Å; P65-S68 PolarHBondContact O-OG 2.86Å; P65-R85 VanDerWaalsContact CD-O 3.28Å; P65-R85 WeakPolarHBondContact CD-O 3.2Å; P65-R85 WeakPolarHBondContact CG-O 3.4Å
66	Q	64.8	Low	75.6	Confident	158 Å²	158	76.7 Å²	76.7	74%	0.738	43%	0.428	S	S	*	.	H	α-helix	trans	-69	-35.9	179.9	-67.9	168.2	-9.7	0	0	111.1	T64 S68 K69	T64-Q66 PolarHBondContact O-N 2.85Å; Q66-S68 PolarHBondContact O-N 3.46Å; Q66-K69 PolarHBondContact O-N 2.88Å
67	D	65.8	Low	75.6	Confident	73 Å²	73	74.7 Å²	74.7	39%	0.39	41%	0.412	S	S	.	.	H	α-helix	trans	-67.2	-25	176.4	-59.2	-36.3	0	0	0	112.6	L62 T64 P65 K69 V70 V71	L62-D67 HydrophobicContact CB-CB 4.38Å; L62-D67 HydrophobicContact CD1-CB 4.25Å; L62-D67 HydrophobicContact CD2-CB 4.31Å; T64-D67 PolarHBondContact O-N 3.05Å; T64-D67 PolarHBondContact OG1-N 3.32Å; T64-D67 PolarHBondContact OG1-OD2 3.47Å; P65-D67 VanDerWaalsContact C-N 3.35Å; D67-K69 VanDerWaalsContact C-N 3.25Å; D67-K69 PolarHBondContact O-N 2.55Å; D67-V70 WeakPolarHBondContact O-CB 3.41Å; D67-V70 PolarHBondContact O-N 3.1Å; D67-V71 PolarHBondContact O-N 2.94Å
68	S	63.1	Low	75.7	Confident	17 Å²	17	72.1 Å²	72.1	12%	0.119	39%	0.393	C	S	.	.	H	α-helix	trans	-64.2	-32.4	178	74.1	0	0	0	0	112.4	L62 P65 Q66 V70 V71 N72	L62-S68 VanDerWaalsContact CD1-CA 3.46Å; P65-S68 WeakPolarHBondContact O-CB 3.45Å; P65-S68 PolarHBondContact O-N 2.93Å; P65-S68 PolarHBondContact O-OG 2.86Å; Q66-S68 PolarHBondContact O-N 3.46Å; S68-V70 VanDerWaalsContact C-N 3.27Å; S68-V70 PolarHBondContact O-N 2.89Å; S68-V71 PolarHBondContact O-N 2.89Å; S68-N72 VanDerWaalsContact O-CG 3.27Å; S68-N72 PolarHBondContact O-N 2.79Å; S68-N72 VanDerWaalsContact O-N 3.11Å; S68-N72 PolarHBondContact O-ND2 3.34Å
69	K	63.7	Low	76	Confident	153 Å²	153	69 Å²	69	67%	0.665	37%	0.374	S	S	*	.	H	α-helix	trans	-64.3	-34.1	174.3	-65.6	-173.4	177.9	-177.4	0	111.6	Q66 D67 N72 C73	Q66-K69 PolarHBondContact O-N 2.88Å; D67-K69 VanDerWaalsContact C-N 3.25Å; D67-K69 PolarHBondContact O-N 2.55Å; K69-N72 PolarHBondContact O-N 3.34Å; K69-C73 PolarHBondContact O-N 3.19Å; K69-C73 VanDerWaalsContact O-N 3.16Å; K69-C73 PolarHBondContact O-SG 2.63Å
70	V	59.9	Low	76.1	Confident	101 Å²	101	65.4 Å²	65.4	61%	0.612	35%	0.353	S	S	*	.	H	α-helix	trans	-69.2	-39.8	-179.7	-176.3	0	0	0	0	111.2	D67 S68 C73	D67-V70 WeakPolarHBondContact O-CB 3.41Å; D67-V70 PolarHBondContact O-N 3.1Å; S68-V70 VanDerWaalsContact C-N 3.27Å; S68-V70 PolarHBondContact O-N 2.89Å; V70-C73 PolarHBondContact O-N 2.72Å
71	V	65	Low	76.3	Confident	20 Å²	20	63.3 Å²	63.3	12%	0.121	34%	0.343	C	S	.	.	H	α-helix	trans	-66.2	-41.5	174.9	-179.6	0	0	0	0	110.8	L62 D67 S68 C73 K74 V90 E92	L62-V71 HydrophobicContact CD1-CG2 3.92Å; L62-V71 HydrophobicContact CD2-CG2 4.34Å; D67-V71 PolarHBondContact O-N 2.94Å; S68-V71 PolarHBondContact O-N 2.89Å; V71-C73 VanDerWaalsContact C-N 3.26Å; V71-C73 PolarHBondContact O-N 2.88Å; V71-K74 PolarHBondContact O-N 2.87Å; V71-V90 HydrophobicContact CG1-CB 4.48Å; V71-V90 HydrophobicContact CG1-CG1 3.91Å; V71-E92 HydrophobicContact CG1-CG 4.25Å
72	N	63.1	Low	76.4	Confident	30 Å²	30	58.9 Å²	58.9	16%	0.16	32%	0.321	C	S	.	.	H	α-helix	trans	-68	-21.1	-180	-69.6	-14.6	0	0	0	113.9	S68 K69 K74 S78	S68-N72 VanDerWaalsContact O-CG 3.27Å; S68-N72 PolarHBondContact O-N 2.79Å; S68-N72 VanDerWaalsContact O-N 3.11Å; S68-N72 PolarHBondContact O-ND2 3.34Å; K69-N72 PolarHBondContact O-N 3.34Å; N72-K74 PolarHBondContact O-N 3.07Å; N72-S78 WeakPolarHBondContact OD1-CB 3.4Å; N72-S78 PolarHBondContact OD1-OG 2.96Å
73	C	58.5	Low	76.5	Confident	109 Å²	109	60.6 Å²	60.6	74%	0.736	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.1	-179.4	-77.3	0	0	0	0	115	K69 V70 V71 G75	K69-C73 PolarHBondContact O-N 3.19Å; K69-C73 VanDerWaalsContact O-N 3.16Å; K69-C73 PolarHBondContact O-SG 2.63Å; V70-C73 PolarHBondContact O-N 2.72Å; V71-C73 VanDerWaalsContact C-N 3.26Å; V71-C73 PolarHBondContact O-N 2.88Å; C73-G75 PolarHBondContact O-N 3.34Å
74	K	68.1	Low	76.7	Confident	135 Å²	135	57 Å²	57	59%	0.587	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	1.8	-178.5	-66.2	-177.6	-175.1	169	0	114.5	V71 N72 Q76 E92	V71-K74 PolarHBondContact O-N 2.87Å; N72-K74 PolarHBondContact O-N 3.07Å; K74-Q76 PolarHBondContact O-N 3.38Å; K74-E92 IonicContact NZ-OE1 3.65Å
75	G	75.9	Confident	77.2	Confident	44 Å²	44	63.5 Å²	63.5	45%	0.454	33%	0.333	S	S	.	.	S	Bend	trans	73.4	5	176.8	0	0	0	0	0	115.1	C73 K164	C73-G75 PolarHBondContact O-N 3.34Å; G75-K164 WeakPolarHBondContact O-CD 3.35Å; G75-K164 PolarHBondContact O-NZ 3.06Å
76	Q	88.6	Confident	78.3	Confident	84 Å²	84	67.7 Å²	67.7	39%	0.393	35%	0.347	S	S	.	.	S	Bend	trans	-83.8	164.6	169.5	-65.9	-170.7	-12.9	0	0	111	K74	K74-Q76 PolarHBondContact O-N 3.38Å
77	H	95.9	Very high	79.4	Confident	42 Å²	42	63.8 Å²	63.8	19%	0.194	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	152.7	171.3	-68.7	86.3	0	0	0	110	V54 Y93 F160 K164	V54-H77 HydrophobicContact CG1-CB 4.35Å; V54-H77 WeakPolarHBondContact CG1-ND1 3.38Å; H77-Y93 PolarHBondContact O-N 3.23Å; H77-F160 HydrophobicContact CB-CD1 4.07Å; H77-F160 HydrophobicContact CB-CE1 3.81Å; H77-F160 HydrophobicContact CB-CE2 4.43Å; H77-F160 HydrophobicContact CB-CG 4.5Å; H77-F160 HydrophobicContact CB-CZ 4Å; H77-F160 AromaticContact CD2-CD1 3.85Å; H77-F160 AromaticContact CD2-CD2 3.6Å; H77-F160 AromaticContact CD2-CG 3.47Å; H77-F160 VanDerWaalsContact CD2-CG 3.47Å; H77-F160 WeakPolarHBondContact CD2-CG 3.02Å; H77-K164 CarbonylContact C-O 3.59Å; H77-K164 WeakPolarHBondContact CA-O 3.43Å; H77-K164 HydrophobicContact CB-CB 4.48Å
78	S	95.9	Very high	80.5	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	158.6	177.8	60.8	0	0	0	0	113.1	N72 V91 F160 K164 N165 I166	N72-S78 WeakPolarHBondContact OD1-CB 3.4Å; N72-S78 PolarHBondContact OD1-OG 2.96Å; S78-V91 CarbonylContact C-O 3.23Å; S78-V91 WeakPolarHBondContact CA-O 3.34Å; S78-F160 WeakPolarHBondContact O-CE1 3.22Å; S78-K164 PolarHBondContact N-O 2.71Å; S78-N165 CarbonylContact O-C 3.6Å; S78-N165 VanDerWaalsContact O-CA 3.29Å; S78-N165 WeakPolarHBondContact O-CA 3.42Å; S78-N165 PolarHBondContact O-OD1 3.35Å; S78-N165 PolarHBondContact OG-OD1 2.65Å; S78-I166 PolarHBondContact O-N 2.99Å
79	I	96.2	Very high	81.9	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122	169.4	-51.3	-170.1	0	0	0	108.4	Y81 V90 V91 Y93 F160 I166 L168 V213	I79-Y81 HydrophobicContact CB-CE2 3.82Å; I79-Y81 HydrophobicContact CG2-CD2 4.1Å; I79-Y81 HydrophobicContact CG2-CE1 4.16Å; I79-Y81 HydrophobicContact CG2-CE2 3.43Å; I79-Y81 VanDerWaalsContact CG2-CE2 3.43Å; I79-Y81 VanDerWaalsContact CG2-CZ 3.47Å; I79-V90 WeakPolarHBondContact O-CA 3.46Å; I79-V91 PolarHBondContact N-O 3.31Å; I79-V91 PolarHBondContact O-N 2.67Å; I79-Y93 HydrophobicContact CB-CE2 4.23Å; I79-Y93 HydrophobicContact CD1-CD2 4.41Å; I79-Y93 HydrophobicContact CD1-CE1 4.47Å; I79-Y93 HydrophobicContact CD1-CE2 3.49Å; I79-Y93 VanDerWaalsContact CD1-CE2 3.49Å; I79-Y93 VanDerWaalsContact CD1-OH 3.29Å; I79-Y93 WeakPolarHBondContact CD1-OH 3.26Å; I79-Y93 HydrophobicContact CG1-CD2 4Å; I79-Y93 HydrophobicContact CG1-CE2 3.45Å; I79-Y93 VanDerWaalsContact CG1-CE2 3.45Å; I79-F160 HydrophobicContact CG1-CE1 3.99Å; I79-I166 WeakPolarHBondContact CA-O 3.15Å; I79-I166 HydrophobicContact CB-CB 4.38Å; I79-I166 HydrophobicContact CD1-CD1 3.87Å; I79-I166 HydrophobicContact CG1-CB 4.05Å; I79-I166 HydrophobicContact CG1-CD1 4.1Å; I79-I166 HydrophobicContact CG2-CB 4.03Å; I79-I166 HydrophobicContact CG2-CG2 4Å; I79-L168 HydrophobicContact CG2-CD1 4.28Å; I79-V213 HydrophobicContact CD1-CG1 3.52Å; I79-V213 HydrophobicContact CG2-CG1 4.15Å
80	S	94.8	Very high	83.4	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.014	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.5	-178.2	-60.1	0	0	0	0	110.3	N165 I166 L168	S80-N165 PolarHBondContact OG-OD1 3.33Å; S80-I166 PolarHBondContact N-O 3.21Å; S80-L168 PolarHBondContact O-N 3.07Å
81	Y	94.6	Very high	85	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	96.5	176.1	-55.5	-98.6	0	0	0	109.4	I79 L83 T88 V89 V91 L168 K174 M182 C214	I79-Y81 HydrophobicContact CB-CE2 3.82Å; I79-Y81 HydrophobicContact CG2-CD2 4.1Å; I79-Y81 HydrophobicContact CG2-CE1 4.16Å; I79-Y81 HydrophobicContact CG2-CE2 3.43Å; I79-Y81 VanDerWaalsContact CG2-CE2 3.43Å; I79-Y81 VanDerWaalsContact CG2-CZ 3.47Å; Y81-L83 PolarHBondContact O-N 2.94Å; Y81-T88 WeakPolarHBondContact O-CA 3.07Å; Y81-V89 PolarHBondContact N-O 2.69Å; Y81-V89 PolarHBondContact O-N 2.92Å; Y81-V91 HydrophobicContact CD2-CG2 4.26Å; Y81-V91 HydrophobicContact CE2-CB 4.38Å; Y81-V91 HydrophobicContact CE2-CG2 3.75Å; Y81-L168 HydrophobicContact CD1-CD1 3.47Å; Y81-L168 VanDerWaalsContact CD1-CD1 3.47Å; Y81-L168 HydrophobicContact CE1-CD1 3.37Å; Y81-L168 HydrophobicContact CG-CD1 4.41Å; Y81-K174 HydrophobicContact CD1-CB 4.3Å; Y81-M182 HydrophobicContact CD1-CB 4.29Å; Y81-M182 HydrophobicContact CD1-CE 3.9Å; Y81-M182 HydrophobicContact CD2-CB 4.04Å; Y81-M182 HydrophobicContact CE1-CB 4.15Å; Y81-M182 HydrophobicContact CE2-CB 3.92Å; Y81-M182 HydrophobicContact CG-CB 4.24Å; Y81-M182 HydrophobicContact CG-CE 4.06Å; Y81-M182 PolarHBondContact OH-O 2.78Å; Y81-C214 PolarHBondContact OH-SG 2.81Å; Y81-C214 VanDerWaalsContact OH-SG 3.4Å
82	T	91.8	Very high	86.5	Confident	12 Å²	12	48.1 Å²	48.1	7%	0.074	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	97.2	179.3	-60.3	0	0	0	0	110.2	T88 F167 L168 E170 K174	T82-T88 PolarHBondContact OG1-OG1 3.43Å; T82-F167 WeakPolarHBondContact OG1-CE2 3.03Å; T82-L168 PolarHBondContact N-O 3.22Å; T82-E170 HydrophobicContact CG2-CG 3.82Å; T82-E170 WeakPolarHBondContact O-CA 3.46Å; T82-K174 WeakPolarHBondContact O-CE 3.26Å
83	L	87.9	Confident	88	Confident	62 Å²	62	47.3 Å²	47.3	33%	0.325	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-39.2	-178.8	-56.9	-178.8	0	0	0	112.1	Y81 Q87 V89 K174 M182	Y81-L83 PolarHBondContact O-N 2.94Å; L83-Q87 HydrophobicContact CB-CB 4.4Å; L83-Q87 HydrophobicContact CD1-CG 4.27Å; L83-Q87 PolarHBondContact N-O 3.4Å; L83-V89 HydrophobicContact CD1-CG2 3.9Å; L83-V89 HydrophobicContact CG-CG2 4.47Å; L83-K174 HydrophobicContact CD2-CD 3.9Å; L83-K174 HydrophobicContact CD2-CG 3.89Å; L83-M182 HydrophobicContact CD2-CE 4.02Å
84	S	85.8	Confident	89.8	Confident	45 Å²	45	43.6 Å²	43.6	32%	0.315	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	177	174.8	71.8	0	0	0	0	110.6	H86 Q87	S84-H86 PolarHBondContact O-N 3.32Å; S84-H86 PolarHBondContact OG-N 3.33Å; S84-Q87 PolarHBondContact N-O 3.32Å; S84-Q87 VanDerWaalsContact N-O 3.15Å; S84-Q87 PolarHBondContact O-N 3.26Å; S84-Q87 VanDerWaalsContact O-N 3.13Å; S84-Q87 VanDerWaalsContact O-O 3.09Å; S84-Q87 PolarHBondContact OG-N 2.6Å
85	R	80	Confident	91.2	Very high	187 Å²	187	42.8 Å²	42.8	71%	0.706	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-20.4	172.2	-63.3	-172.7	-175.5	-176.8	2.1	114.4	P65 E170	P65-R85 VanDerWaalsContact CD-O 3.28Å; P65-R85 WeakPolarHBondContact CD-O 3.2Å; P65-R85 WeakPolarHBondContact CG-O 3.4Å; R85-E170 WeakPolarHBondContact CG-OE1 3.28Å; R85-E170 PolarHBondContact N-OE1 2.86Å; R85-E170 VanDerWaalsContact N-OE1 3.08Å
86	H	84.6	Confident	92.2	Very high	143 Å²	143	41.6 Å²	41.6	66%	0.662	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.4	8.1	-176.4	-47.7	103.2	0	0	0	113	N63 S84	N63-H86 CarbonylContact C-O 3.55Å; N63-H86 VanDerWaalsContact C-O 3.31Å; N63-H86 VanDerWaalsContact CA-O 3.29Å; N63-H86 WeakPolarHBondContact CA-O 3.47Å; N63-H86 CarbonylContact O-C 3.59Å; N63-H86 VanDerWaalsContact O-C 3.23Å; N63-H86 WeakPolarHBondContact O-CA 3.31Å; S84-H86 PolarHBondContact O-N 3.32Å; S84-H86 PolarHBondContact OG-N 3.33Å
87	Q	87.4	Confident	92.7	Very high	77 Å²	77	44.6 Å²	44.6	36%	0.36	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	121.6	179.4	-164.5	177.3	39.6	0	0	111.7	I61 L62 L83 S84	I61-Q87 HydrophobicContact CG2-CG 4.42Å; L62-Q87 WeakPolarHBondContact O-CA 3.06Å; L83-Q87 HydrophobicContact CB-CB 4.4Å; L83-Q87 HydrophobicContact CD1-CG 4.27Å; L83-Q87 PolarHBondContact N-O 3.4Å; S84-Q87 PolarHBondContact N-O 3.32Å; S84-Q87 VanDerWaalsContact N-O 3.15Å; S84-Q87 PolarHBondContact O-N 3.26Å; S84-Q87 VanDerWaalsContact O-N 3.13Å; S84-Q87 VanDerWaalsContact O-O 3.09Å; S84-Q87 PolarHBondContact OG-N 2.6Å
88	T	90.7	Very high	92.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.5	170.5	-64.5	0	0	0	0	109.1	L62 Y81 T82 V90	L62-T88 PolarHBondContact N-O 3.45Å; L62-T88 PolarHBondContact O-N 2.68Å; Y81-T88 WeakPolarHBondContact O-CA 3.07Å; T82-T88 PolarHBondContact OG1-OG1 3.43Å; T88-V90 HydrophobicContact CG2-CG2 3.92Å
89	V	92.5	Very high	93	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.055	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.7	169.7	-177.1	0	0	0	0	107.5	V59 H60 I61 Y81 L83 V91 M182	V59-V89 HydrophobicContact CG1-CG1 3.59Å; H60-V89 CarbonylContact O-C 3.51Å; H60-V89 WeakPolarHBondContact O-CA 3.26Å; I61-V89 HydrophobicContact CG1-CG2 4.49Å; Y81-V89 PolarHBondContact N-O 2.69Å; Y81-V89 PolarHBondContact O-N 2.92Å; L83-V89 HydrophobicContact CD1-CG2 3.9Å; L83-V89 HydrophobicContact CG-CG2 4.47Å; V89-V91 HydrophobicContact CG1-CG2 4.49Å; V89-M182 HydrophobicContact CB-CG 4.3Å; V89-M182 HydrophobicContact CG1-CG 3.92Å
90	V	93.5	Very high	93.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.8	175.8	-176.8	0	0	0	0	108.3	H60 L62 V71 I79 T88	H60-V90 HydrophobicContact CB-CB 4.4Å; H60-V90 PolarHBondContact N-O 2.79Å; H60-V90 PolarHBondContact O-N 2.84Å; L62-V90 HydrophobicContact CD1-CG2 3.74Å; V71-V90 HydrophobicContact CG1-CB 4.48Å; V71-V90 HydrophobicContact CG1-CG1 3.91Å; I79-V90 WeakPolarHBondContact O-CA 3.46Å; T88-V90 HydrophobicContact CG2-CG2 3.92Å
91	V	94.9	Very high	93.3	Very high	11 Å²	11	47.3 Å²	47.3	7%	0.067	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.1	174	-176.5	0	0	0	0	107.8	P56 V59 S78 I79 Y81 V89 Y93	P56-V91 HydrophobicContact CB-CG1 4.34Å; V59-V91 HydrophobicContact CG1-CG2 4.41Å; V59-V91 HydrophobicContact CG2-CG1 4.42Å; V59-V91 HydrophobicContact CG2-CG2 4.23Å; S78-V91 CarbonylContact C-O 3.23Å; S78-V91 WeakPolarHBondContact CA-O 3.34Å; I79-V91 PolarHBondContact N-O 3.31Å; I79-V91 PolarHBondContact O-N 2.67Å; Y81-V91 HydrophobicContact CD2-CG2 4.26Å; Y81-V91 HydrophobicContact CE2-CB 4.38Å; Y81-V91 HydrophobicContact CE2-CG2 3.75Å; V89-V91 HydrophobicContact CG1-CG2 4.49Å; V91-Y93 HydrophobicContact CB-CE2 4.25Å; V91-Y93 HydrophobicContact CG1-CD2 4.26Å; V91-Y93 HydrophobicContact CG1-CE2 3.83Å
92	E	94.9	Very high	93.5	Very high	14 Å²	14	47.6 Å²	47.6	7%	0.065	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	146.7	172.4	-71.4	-177.2	161	0	0	110	S57 T58 H60 V71 K74	S57-E92 WeakPolarHBondContact CA-O 3.18Å; S57-E92 WeakPolarHBondContact CB-O 3.28Å; S57-E92 PolarHBondContact N-O 3.44Å; T58-E92 WeakPolarHBondContact CB-OE2 3.46Å; T58-E92 PolarHBondContact O-N 2.93Å; T58-E92 PolarHBondContact OG1-OE2 3.32Å; T58-E92 VanDerWaalsContact OG1-OE2 3.05Å; H60-E92 IonicContact NE2-OE1 2.65Å; H60-E92 PolarHBondContact NE2-OE1 2.82Å; H60-E92 IonicContact NE2-OE2 2.65Å; V71-E92 HydrophobicContact CG1-CG 4.25Å; K74-E92 IonicContact NZ-OE1 3.65Å
93	Y	95.6	Very high	93.8	Very high	13 Å²	13	47.3 Å²	47.3	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116.6	178	-87.2	-109.6	0	0	0	109.5	V54 K55 P56 H77 I79 V91 F160	V54-Y93 HydrophobicContact CB-CD1 4.23Å; V54-Y93 HydrophobicContact CG2-CD1 3.88Å; K55-Y93 VanDerWaalsContact C-CD1 3.44Å; K55-Y93 CarbonylContact O-C 3.46Å; K55-Y93 VanDerWaalsContact O-CA 3.27Å; K55-Y93 WeakPolarHBondContact O-CA 3.46Å; P56-Y93 HydrophobicContact CB-CE1 4.46Å; P56-Y93 HydrophobicContact CG-CE1 3.77Å; H77-Y93 PolarHBondContact O-N 3.23Å; I79-Y93 HydrophobicContact CB-CE2 4.23Å; I79-Y93 HydrophobicContact CD1-CD2 4.41Å; I79-Y93 HydrophobicContact CD1-CE1 4.47Å; I79-Y93 HydrophobicContact CD1-CE2 3.49Å; I79-Y93 VanDerWaalsContact CD1-CE2 3.49Å; I79-Y93 VanDerWaalsContact CD1-OH 3.29Å; I79-Y93 WeakPolarHBondContact CD1-OH 3.26Å; I79-Y93 HydrophobicContact CG1-CD2 4Å; I79-Y93 HydrophobicContact CG1-CE2 3.45Å; I79-Y93 VanDerWaalsContact CG1-CE2 3.45Å; V91-Y93 HydrophobicContact CB-CE2 4.25Å; V91-Y93 HydrophobicContact CG1-CD2 4.26Å; V91-Y93 HydrophobicContact CG1-CE2 3.83Å; Y93-F160 HydrophobicContact CD1-CZ 4.2Å; Y93-F160 HydrophobicContact CG-CZ 4.21Å
94	S	95.8	Very high	94.3	Very high	31 Å²	31	44.3 Å²	44.3	22%	0.217	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	161.1	-179.5	68.2	0	0	0	0	111.2	V54 K55 D96	V54-S94 CarbonylContact C-O 3.07Å; V54-S94 WeakPolarHBondContact CA-O 3.24Å; V54-S94 WeakPolarHBondContact CB-O 3.48Å; K55-S94 PolarHBondContact N-O 3.32Å; K55-S94 PolarHBondContact O-N 2.76Å; S94-D96 PolarHBondContact O-N 3.32Å
95	H	97.4	Very high	94.9	Very high	118 Å²	118	42.2 Å²	42.2	55%	0.546	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	131.6	177.3	-179.4	45.1	0	0	0	111.2	A51 G53	A51-H95 PolarHBondContact O-CE1 3.45Å; G53-H95 PolarHBondContact O-ND1 3.29Å
96	D	98.1	Very high	95.7	Very high	20 Å²	20	38.5 Å²	38.5	11%	0.107	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.8	169.6	-174	20.9	0	0	0	110	G53 K55 S94 D98 T99	G53-D96 PolarHBondContact O-N 2.96Å; K55-D96 HydrophobicContact CB-CB 4.33Å; K55-D96 HydrophobicContact CD-CB 4.16Å; K55-D96 HydrophobicContact CG-CB 4.17Å; K55-D96 IonicContact NZ-OD1 3.53Å; S94-D96 PolarHBondContact O-N 3.32Å; D96-D98 VanDerWaalsContact C-N 3.26Å; D96-D98 PolarHBondContact O-N 2.95Å; D96-D98 PolarHBondContact OD1-N 2.89Å; D96-T99 VanDerWaalsContact OD2-CG2 3.26Å; D96-T99 WeakPolarHBondContact OD2-CG2 3.47Å; D96-T99 PolarHBondContact OD2-OG1 3.49Å
97	K	98.3	Very high	96.3	Very high	146 Å²	146	32.1 Å²	32.1	64%	0.635	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.1	-177.5	65.2	173.6	-173.5	175.8	0	112.6	A51 R147	A51-K97 WeakPolarHBondContact CB-O 3.28Å; K97-R147 WeakPolarHBondContact O-CD 3.46Å
98	D	98.6	Very high	96.7	Very high	83 Å²	83	33.6 Å²	33.6	44%	0.444	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-3.6	-170	-60	-48.3	0	0	0	112.2	D96 R147	D96-D98 VanDerWaalsContact C-N 3.26Å; D96-D98 PolarHBondContact O-N 2.95Å; D96-D98 PolarHBondContact OD1-N 2.89Å; D98-R147 WeakPolarHBondContact O-CB 3.32Å; D98-R147 WeakPolarHBondContact O-CG 3.46Å; D98-R147 PolarHBondContact O-N 2.56Å
99	T	98.8	Very high	96.9	Very high	15 Å²	15	36 Å²	36	9%	0.092	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	153.9	-179.2	57.2	0	0	0	0	113.8	G53 D96 V144 C145	G53-T99 WeakPolarHBondContact CA-O 3.16Å; G53-T99 WeakPolarHBondContact CA-OG1 3.27Å; G53-T99 PolarHBondContact N-O 3.41Å; D96-T99 VanDerWaalsContact OD2-CG2 3.26Å; D96-T99 WeakPolarHBondContact OD2-CG2 3.47Å; D96-T99 PolarHBondContact OD2-OG1 3.49Å; T99-V144 HydrophobicContact CG2-CG1 3.9Å; T99-C145 CarbonylContact C-O 3.55Å; T99-C145 VanDerWaalsContact CA-O 3.24Å; T99-C145 WeakPolarHBondContact CA-O 3.26Å
100	D	98.9	Very high	97.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139	165.2	-71.1	-30.4	0	0	0	109.6	Y19 K47 R48 A51 N52 F102 V144 C145 R147	Y19-D100 HydrophobicContact CE2-CB 3.99Å; Y19-D100 WeakPolarHBondContact CE2-OD2 3.33Å; Y19-D100 PolarHBondContact OH-OD2 2.89Å; K47-D100 WeakPolarHBondContact CA-OD2 3.43Å; R48-D100 HydrophobicContact CG-CB 4.38Å; R48-D100 PolarHBondContact N-OD2 3.35Å; A51-D100 WeakPolarHBondContact CA-OD1 3.2Å; N52-D100 WeakPolarHBondContact OD1-CA 3.12Å; D100-F102 HydrophobicContact CB-CE2 3.78Å; D100-F102 HydrophobicContact CB-CZ 4.09Å; D100-V144 CarbonylContact O-C 3.57Å; D100-V144 VanDerWaalsContact O-CA 3.3Å; D100-V144 WeakPolarHBondContact O-CA 3.5Å; D100-C145 PolarHBondContact N-O 3.14Å; D100-C145 PolarHBondContact O-N 3.49Å; D100-R147 IonicContact OD1-CZ 3.37Å; D100-R147 IonicContact OD1-NH1 2.7Å; D100-R147 PolarHBondContact OD1-NH1 2.92Å; D100-R147 IonicContact OD2-NH1 3.43Å; D100-R147 PolarHBondContact OD2-NH1 2.94Å
101	M	98.8	Very high	97.2	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.034	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.7	176.9	-177.5	174.4	66	0	0	110.7	R48 N52 V54 R142 V144 F160	R48-M101 PolarHBondContact NE-O 3.29Å; R48-M101 PolarHBondContact NH2-O 2.82Å; N52-M101 PolarHBondContact ND2-O 2.82Å; N52-M101 PolarHBondContact OD1-N 2.76Å; N52-M101 PolarHBondContact OD1-O 2.95Å; V54-M101 HydrophobicContact CG2-CE 4.27Å; V54-M101 HydrophobicContact CG2-SD 4.09Å; M101-R142 HydrophobicContact CG-CB 4.26Å; M101-R142 HydrophobicContact CG-CG 4.18Å; M101-R142 HydrophobicContact SD-CB 4.4Å; M101-R142 VanDerWaalsContact SD-CD 3.53Å; M101-R142 HydrophobicContact SD-CG 3.86Å; M101-V144 HydrophobicContact CB-CG2 4.45Å; M101-V144 HydrophobicContact CG-CG2 4.23Å; M101-F160 HydrophobicContact CE-CD2 3.75Å; M101-F160 HydrophobicContact CE-CE2 4Å; M101-F160 HydrophobicContact SD-CD2 3.91Å; M101-F160 HydrophobicContact SD-CE2 3.76Å
102	F	98.9	Very high	97.4	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131	174.1	-55.1	-92	0	0	0	109.2	Y19 F43 L45 L46 R48 D100 D113 R142 V143	Y19-F102 AromaticContact CD2-CE2 3.91Å; Y19-F102 HydrophobicContact CD2-CE2 3.91Å; Y19-F102 HydrophobicContact CD2-CZ 4.12Å; Y19-F102 HydrophobicContact CE2-CE2 4Å; Y19-F102 HydrophobicContact CE2-CZ 4.1Å; F43-F102 HydrophobicContact CE1-CB 4.28Å; F43-F102 HydrophobicContact CE1-CD1 4.03Å; F43-F102 HydrophobicContact CE1-CG 4.43Å; F43-F102 HydrophobicContact CZ-CD1 4.01Å; L45-F102 HydrophobicContact CB-CD2 4.34Å; L45-F102 HydrophobicContact CB-CE1 4.47Å; L45-F102 HydrophobicContact CB-CE2 4.15Å; L45-F102 HydrophobicContact CB-CZ 4.22Å; L45-F102 HydrophobicContact CD2-CB 4.11Å; L45-F102 HydrophobicContact CD2-CD2 3.54Å; L45-F102 HydrophobicContact CD2-CE2 4.1Å; L45-F102 HydrophobicContact CD2-CG 3.83Å; L45-F102 HydrophobicContact CG-CB 4.38Å; L45-F102 HydrophobicContact CG-CD1 4.16Å; L45-F102 HydrophobicContact CG-CD2 3.92Å; L45-F102 HydrophobicContact CG-CE1 4.46Å; L45-F102 HydrophobicContact CG-CE2 4.24Å; L45-F102 HydrophobicContact CG-CG 3.88Å; L45-F102 HydrophobicContact CG-CZ 4.5Å; L46-F102 VanDerWaalsContact O-CZ 3.31Å; L46-F102 WeakPolarHBondContact O-CZ 3.16Å; R48-F102 HydrophobicContact CG-CE1 4.36Å; R48-F102 HydrophobicContact CG-CZ 4.26Å; D100-F102 HydrophobicContact CB-CE2 3.78Å; D100-F102 HydrophobicContact CB-CZ 4.09Å; F102-D113 VanDerWaalsContact CA-OD2 3.25Å; F102-D113 WeakPolarHBondContact CA-OD2 3.29Å; F102-R142 CarbonylContact O-C 3.53Å; F102-R142 WeakPolarHBondContact O-CA 3.24Å; F102-V143 PolarHBondContact N-O 3.34Å; F102-V143 PolarHBondContact O-N 3.31Å
103	Q	98.8	Very high	97.5	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.028	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.9	-179.2	-45.9	-157.9	123.7	0	0	112.2	P111 I112 D113 F114 R142 F160	Q103-P111 WeakPolarHBondContact CB-O 3.47Å; Q103-P111 WeakPolarHBondContact CG-O 3.12Å; Q103-P111 VanDerWaalsContact NE2-CB 3.33Å; Q103-P111 PolarHBondContact NE2-O 2.96Å; Q103-I112 HydrophobicContact CB-CD1 4.12Å; Q103-D113 PolarHBondContact N-OD2 3.07Å; Q103-D113 PolarHBondContact O-N 3.28Å; Q103-F114 PolarHBondContact O-N 2.69Å; Q103-R142 HydrophobicContact CG-CG 4.11Å; Q103-F160 PolarHBondContact NE2-O 2.82Å
104	I	98.8	Very high	97.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.6	-177.4	-54.8	93.1	0	0	0	108.5	L22 F114 V116 A140 C141 V143 L248 L253	L22-I104 HydrophobicContact CD1-CD1 3.86Å; L22-I104 HydrophobicContact CD1-CG1 3.87Å; I104-F114 WeakPolarHBondContact CA-O 3.47Å; I104-F114 HydrophobicContact CG1-CB 4Å; I104-F114 HydrophobicContact CG1-CD1 4.25Å; I104-F114 HydrophobicContact CG2-CB 4.36Å; I104-F114 HydrophobicContact CG2-CD1 4.01Å; I104-V116 HydrophobicContact CG2-CB 4.49Å; I104-V116 HydrophobicContact CG2-CG2 3.58Å; I104-A140 WeakPolarHBondContact O-CA 3.5Å; I104-A140 WeakPolarHBondContact O-CB 3.24Å; I104-A140 PolarHBondContact O-N 2.78Å; I104-C141 PolarHBondContact N-O 3.48Å; I104-C141 PolarHBondContact O-N 2.88Å; I104-C141 VanDerWaalsContact O-N 3.14Å; I104-V143 HydrophobicContact CD1-CB 4.41Å; I104-V143 HydrophobicContact CD1-CG2 3.82Å; I104-L248 HydrophobicContact CG2-CD1 3.73Å; I104-L253 HydrophobicContact CG2-CD1 4.07Å
105	G	98.3	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	178.4	177.9	0	0	0	0	0	112.2	F114 V115 V116 R138	G105-F114 PolarHBondContact N-O 2.92Å; G105-V115 WeakPolarHBondContact O-CA 3.49Å; G105-V116 PolarHBondContact O-N 3.25Å; G105-R138 CarbonylContact C-O 3.45Å; G105-R138 WeakPolarHBondContact CA-O 3.45Å
106	R	96.8	Very high	97.7	Very high	109 Å²	109	37.5 Å²	37.5	41%	0.411	19%	0.191	S	C	.	.	S	Bend	trans	-83.5	-13.6	179.8	74.8	173.4	179.2	91.8	-4.2	114.7	V116 S134 I136 S137 R138	R106-V116 VanDerWaalsContact CA-O 3.25Å; R106-V116 WeakPolarHBondContact CA-O 3.42Å; R106-V116 WeakPolarHBondContact CB-O 3.32Å; R106-S134 WeakPolarHBondContact CD-OG 2.9Å; R106-I136 HydrophobicContact CB-CB 4.3Å; R106-I136 HydrophobicContact CB-CG2 4.13Å; R106-I136 WeakPolarHBondContact CD-O 3.47Å; R106-I136 PolarHBondContact NE-O 2.73Å; R106-S137 PolarHBondContact N-O 2.84Å; R106-S137 VanDerWaalsContact N-O 3.11Å; R106-R138 HydrophobicContact CG-CG 4.38Å; R106-R138 PolarHBondContact N-O 2.8Å
107	S	96.5	Very high	97.4	Very high	10 Å²	10	38.1 Å²	38.1	7%	0.07	20%	0.195	C	C	.	.			trans	-69.4	142.2	180	-169.6	0	0	0	0	110.5	E109 I112 R138	S107-E109 VanDerWaalsContact C-N 3.29Å; S107-E109 WeakPolarHBondContact OG-CB 3.29Å; S107-E109 VanDerWaalsContact OG-CG 3.31Å; S107-E109 WeakPolarHBondContact OG-CG 3.35Å; S107-E109 PolarHBondContact OG-N 2.66Å; S107-E109 PolarHBondContact OG-OE1 3.14Å; S107-I112 WeakPolarHBondContact O-CG1 3.32Å; S107-R138 VanDerWaalsContact CB-O 3.27Å; S107-R138 WeakPolarHBondContact CB-O 3.33Å; S107-R138 PolarHBondContact N-O 3.32Å
108	T	95.3	Very high	97.1	Very high	107 Å²	107	32 Å²	32	66%	0.656	17%	0.17	S	C	*	.			trans	-90.8	6.3	170.7	55.2	0	0	0	0	112.1	R38 V115	R38-T108 PolarHBondContact NH2-O 3.15Å; T108-V115 HydrophobicContact CG2-CG1 4.28Å
109	E	96.4	Very high	96.8	Very high	50 Å²	50	29.6 Å²	29.6	23%	0.234	16%	0.158	C	C	.	.	S	Bend	trans	-63.9	157.1	175.7	-71.8	167.3	-95.8	0	0	112.1	R38 S107 P111 I112 R138 F139 S162	R38-E109 PolarHBondContact NH1-O 2.93Å; S107-E109 VanDerWaalsContact C-N 3.29Å; S107-E109 WeakPolarHBondContact OG-CB 3.29Å; S107-E109 VanDerWaalsContact OG-CG 3.31Å; S107-E109 WeakPolarHBondContact OG-CG 3.35Å; S107-E109 PolarHBondContact OG-N 2.66Å; S107-E109 PolarHBondContact OG-OE1 3.14Å; E109-P111 VanDerWaalsContact C-N 3.34Å; E109-I112 PolarHBondContact O-N 2.9Å; E109-R138 IonicContact OE1-CZ 3.55Å; E109-R138 IonicContact OE1-NE 2.88Å; E109-R138 IonicContact OE1-NH2 3.78Å; E109-R138 PolarHBondContact OE1-NH2 3.28Å; E109-R138 IonicContact OE2-NH2 3.77Å; E109-F139 HydrophobicContact CB-CE1 4.4Å; E109-F139 HydrophobicContact CB-CZ 4.37Å; E109-F139 WeakPolarHBondContact OE1-CZ 3.46Å; E109-S162 WeakPolarHBondContact OE2-CB 3.41Å; E109-S162 PolarHBondContact OE2-OG 3.4Å
110	N	95	Very high	96.1	Very high	149 Å²	149	31.6 Å²	31.6	80%	0.797	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.1	-174.9	-69	-16	0	0	0	115.6	I112	N110-I112 PolarHBondContact O-N 2.97Å
111	P	96.3	Very high	95.2	Very high	35 Å²	35	34.7 Å²	34.7	23%	0.227	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.7	179.8	-22.6	33.7	0	0	0	115	Q103 E109 F139 F160	Q103-P111 WeakPolarHBondContact CB-O 3.47Å; Q103-P111 WeakPolarHBondContact CG-O 3.12Å; Q103-P111 VanDerWaalsContact NE2-CB 3.33Å; Q103-P111 PolarHBondContact NE2-O 2.96Å; E109-P111 VanDerWaalsContact C-N 3.34Å; P111-F139 HydrophobicContact CB-CE1 4.17Å; P111-F139 HydrophobicContact CG-CE1 4.25Å; P111-F160 WeakPolarHBondContact CB-O 3.47Å
112	I	98.4	Very high	93.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	21%	0.208	C	C	.	.			trans	-86.9	125	179.5	-63.2	-58.7	0	0	0	109.9	R38 Q103 S107 E109 N110 F114 V115 F139	R38-I112 WeakPolarHBondContact CD-O 3.5Å; R38-I112 PolarHBondContact NH1-O 3.49Å; Q103-I112 HydrophobicContact CB-CD1 4.12Å; S107-I112 WeakPolarHBondContact O-CG1 3.32Å; E109-I112 PolarHBondContact O-N 2.9Å; N110-I112 PolarHBondContact O-N 2.97Å; I112-F114 VanDerWaalsContact CG2-C 3.49Å; I112-F114 WeakPolarHBondContact CG2-O 3.35Å; I112-V115 HydrophobicContact CG2-CG2 3.8Å; I112-F139 HydrophobicContact CD1-CB 4.32Å; I112-F139 HydrophobicContact CD1-CD1 3.48Å; I112-F139 VanDerWaalsContact CD1-CD1 3.48Å; I112-F139 HydrophobicContact CD1-CE1 4.18Å; I112-F139 HydrophobicContact CD1-CG 4.25Å; I112-F139 HydrophobicContact CG1-CD1 3.9Å; I112-F139 HydrophobicContact CG1-CE1 4.08Å
113	D	98.5	Very high	91.7	Very high	34 Å²	34	38.2 Å²	38.2	18%	0.182	24%	0.236	C	C	.	.	S	Bend	trans	-86	-37.9	173.8	-62.6	-81.4	0	0	0	111.5	R38 F43 R48 F102 Q103	R38-D113 WeakPolarHBondContact CG-O 3.41Å; F43-D113 HydrophobicContact CE1-CB 4.12Å; F43-D113 HydrophobicContact CE2-CB 4.32Å; F43-D113 HydrophobicContact CZ-CB 3.63Å; R48-D113 IonicContact CZ-OD1 3.81Å; R48-D113 IonicContact NH1-OD1 2.63Å; R48-D113 IonicContact NH2-OD1 3.19Å; R48-D113 PolarHBondContact NH2-OD1 3.27Å; R48-D113 IonicContact NH2-OD2 3.29Å; R48-D113 PolarHBondContact NH2-OD2 3.05Å; F102-D113 VanDerWaalsContact CA-OD2 3.25Å; F102-D113 WeakPolarHBondContact CA-OD2 3.29Å; Q103-D113 PolarHBondContact N-OD2 3.07Å; Q103-D113 PolarHBondContact O-N 3.28Å
114	F	98.4	Very high	89.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	112.4	-178.4	-173.2	-149.6	0	0	0	111.9	L22 V24 K40 F43 Q103 I104 G105 I112 V116 L253	L22-F114 HydrophobicContact CB-CD1 4.32Å; L22-F114 HydrophobicContact CB-CE1 4.07Å; L22-F114 HydrophobicContact CD1-CD1 4.36Å; V24-F114 HydrophobicContact CG2-CE1 4.08Å; V24-F114 HydrophobicContact CG2-CZ 3.57Å; K40-F114 HydrophobicContact CB-CE2 4.22Å; K40-F114 WeakPolarHBondContact O-CE2 3.42Å; K40-F114 WeakPolarHBondContact O-CZ 3.3Å; F43-F114 HydrophobicContact CB-CB 4.08Å; F43-F114 HydrophobicContact CB-CD1 3.7Å; F43-F114 HydrophobicContact CB-CD2 3.54Å; F43-F114 HydrophobicContact CB-CE1 3.88Å; F43-F114 HydrophobicContact CB-CE2 3.72Å; F43-F114 HydrophobicContact CB-CG 3.51Å; F43-F114 HydrophobicContact CB-CZ 3.88Å; F43-F114 HydrophobicContact CD1-CB 3.7Å; F43-F114 HydrophobicContact CD1-CD1 4.3Å; F43-F114 HydrophobicContact CD1-CG 4.05Å; F43-F114 HydrophobicContact CD2-CB 4.2Å; F43-F114 HydrophobicContact CD2-CD2 4.39Å; F43-F114 HydrophobicContact CD2-CG 4.42Å; F43-F114 HydrophobicContact CE1-CB 4.19Å; F43-F114 HydrophobicContact CG-CB 3.72Å; F43-F114 HydrophobicContact CG-CD1 4.22Å; F43-F114 HydrophobicContact CG-CD2 4Å; F43-F114 AromaticContact CG-CG 3.75Å; F43-F114 HydrophobicContact CG-CG 3.75Å; Q103-F114 PolarHBondContact O-N 2.69Å; I104-F114 WeakPolarHBondContact CA-O 3.47Å; I104-F114 HydrophobicContact CG1-CB 4Å; I104-F114 HydrophobicContact CG1-CD1 4.25Å; I104-F114 HydrophobicContact CG2-CB 4.36Å; I104-F114 HydrophobicContact CG2-CD1 4.01Å; G105-F114 PolarHBondContact N-O 2.92Å; I112-F114 VanDerWaalsContact CG2-C 3.49Å; I112-F114 WeakPolarHBondContact CG2-O 3.35Å; F114-V116 HydrophobicContact CD1-CG2 3.82Å; F114-V116 HydrophobicContact CE1-CG2 3.81Å; F114-V116 HydrophobicContact CG-CG2 4.25Å; F114-V116 HydrophobicContact CZ-CG2 4.23Å; F114-L253 HydrophobicContact CE1-CD1 4.47Å; F114-L253 HydrophobicContact CE1-CD2 4.3Å
115	V	97.8	Very high	86.5	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.8	-178.1	-178	0	0	0	0	109.5	R38 R39 G105 T108 I112	R38-V115 HydrophobicContact CB-CG2 3.82Å; R38-V115 PolarHBondContact O-N 3.16Å; R39-V115 HydrophobicContact CB-CB 4.25Å; R39-V115 HydrophobicContact CB-CG1 4.48Å; G105-V115 WeakPolarHBondContact O-CA 3.49Å; T108-V115 HydrophobicContact CG2-CG1 4.28Å; I112-V115 HydrophobicContact CG2-CG2 3.8Å
116	V	95.7	Very high	83.7	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.012	35%	0.345	C	S	.	.			trans	-111.9	138.9	-179.4	-177.9	0	0	0	0	110	I104 G105 R106 F114 I136 A251 L253	I104-V116 HydrophobicContact CG2-CB 4.49Å; I104-V116 HydrophobicContact CG2-CG2 3.58Å; G105-V116 PolarHBondContact O-N 3.25Å; R106-V116 VanDerWaalsContact CA-O 3.25Å; R106-V116 WeakPolarHBondContact CA-O 3.42Å; R106-V116 WeakPolarHBondContact CB-O 3.32Å; F114-V116 HydrophobicContact CD1-CG2 3.82Å; F114-V116 HydrophobicContact CE1-CG2 3.81Å; F114-V116 HydrophobicContact CG-CG2 4.25Å; F114-V116 HydrophobicContact CZ-CG2 4.23Å; V116-I136 HydrophobicContact CG1-CD1 4.05Å; V116-A251 HydrophobicContact CG1-CB 3.5Å; V116-L253 HydrophobicContact CG1-CD2 4.34Å; V116-L253 HydrophobicContact CG2-CD2 4.23Å
117	T	92.9	Very high	80.9	Confident	34 Å²	34	59.1 Å²	59.1	21%	0.209	36%	0.363	C	S	.	.			trans	-118.1	157.4	174.1	55.5	0	0	0	0	110	R39 T119 I136	R39-T117 PolarHBondContact NH2-OG1 2.78Å; T117-T119 PolarHBondContact O-N 2.82Å; T117-I136 VanDerWaalsContact C-CD1 3.48Å
118	D	92	Very high	78.3	Confident	18 Å²	18	66.4 Å²	66.4	10%	0.096	40%	0.395	C	S	.	.			trans	-55.2	134.5	179.2	-56.9	-120.7	0	0	0	111	Y27 I131 S134 T135 I136 G250	Y27-D118 PolarHBondContact OH-O 2.8Å; D118-I131 HydrophobicContact CB-CD1 3.41Å; D118-I131 VanDerWaalsContact CB-CD1 3.41Å; D118-I131 HydrophobicContact CB-CG2 4.21Å; D118-S134 WeakPolarHBondContact OD1-CA 3.18Å; D118-S134 WeakPolarHBondContact OD2-CA 3.36Å; D118-S134 WeakPolarHBondContact OD2-CB 3.37Å; D118-S134 PolarHBondContact OD2-OG 3.11Å; D118-T135 PolarHBondContact OD1-N 3.4Å; D118-T135 PolarHBondContact OD1-OG1 3.27Å; D118-I136 HydrophobicContact CB-CD1 4.46Å; D118-G250 CarbonylContact C-O 3.54Å; D118-G250 WeakPolarHBondContact CA-O 3.3Å
119	T	90.8	Very high	76.1	Confident	31 Å²	31	65.9 Å²	65.9	19%	0.19	39%	0.392	C	S	.	.			trans	-74.2	126.1	180	-58.9	0	0	0	0	109.6	Y27 T117 G250 A405	Y27-T119 WeakPolarHBondContact OH-CA 3.23Å; T117-T119 PolarHBondContact O-N 2.82Å; T119-G250 PolarHBondContact N-O 3.14Å; T119-A405 HydrophobicContact CG2-CB 3.54Å
120	V	84.1	Confident	73.9	Confident	57 Å²	57	69.8 Å²	69.8	35%	0.345	41%	0.411	S	S	.	.			trans	-96.8	114.3	172.8	-178.3	0	0	0	0	107.5	I131	V120-I131 HydrophobicContact CG2-CD1 3.63Å; V120-I131 HydrophobicContact CG2-CG1 4.17Å
121	A	81.5	Confident	72.3	Confident	65 Å²	65	66.4 Å²	66.4	54%	0.537	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	144.9	-179.5	0	0	0	0	0	111.7	A405	A121-A405 HydrophobicContact CB-CB 4.45Å; A121-A405 WeakPolarHBondContact CB-O 3.41Å
122	G	68	Low	70.7	Confident	30 Å²	30	70.6 Å²	70.6	31%	0.309	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-10.2	168.6	0	0	0	0	0	116.2	Q124 C404 T406	G122-Q124 PolarHBondContact O-N 3.4Å; G122-C404 PolarHBondContact N-O 2.89Å; G122-T406 WeakPolarHBondContact CA-OG1 3.28Å
123	G	55.3	Low	69.7	Low	58 Å²	58	78.3 Å²	78.3	60%	0.598	45%	0.453	S	S	*	.			trans	49.9	25.7	167.3	0	0	0	0	0	116	D125	G123-D125 PolarHBondContact O-N 3.4Å
124	Q	45.7	Very low	69.2	Low	177 Å²	177	78.7 Å²	78.7	83%	0.827	46%	0.458	S	S	*	.			trans	-79.5	106.9	178.3	-69.8	-173.5	16.3	0	0	108.8	G122 G126	G122-Q124 PolarHBondContact O-N 3.4Å; Q124-G126 VanDerWaalsContact C-N 3.33Å; Q124-G126 PolarHBondContact O-N 3.4Å
125	D	42.8	Very low	68.9	Low	137 Å²	137	81.9 Å²	81.9	73%	0.733	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	93	163	-79.7	-36.1	0	0	0	108	G123	G123-D125 PolarHBondContact O-N 3.4Å
126	G	38.6	Very low	68.8	Low	75 Å²	75	81.7 Å²	81.7	77%	0.773	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	174.7	-33.9	175.2	0	0	0	0	0	116.3	Q124	Q124-G126 VanDerWaalsContact C-N 3.33Å; Q124-G126 PolarHBondContact O-N 3.4Å
127	E	39.6	Very low	68.9	Low	165 Å²	165	83.5 Å²	83.5	77%	0.771	49%	0.489	S	S	*	.			trans	-118.1	115.7	170.3	-70.8	-169.4	162.6	0	0	107.9	T129	E127-T129 PolarHBondContact O-N 3.45Å
128	E	41.7	Very low	69.1	Low	162 Å²	162	87.9 Å²	87.9	76%	0.757	50%	0.502	S	S	*	.			trans	-60.2	87.6	158.4	-73.1	-171.1	164.5	0	0	106.5	Q130	E128-Q130 HydrophobicContact CB-CG 3.89Å; E128-Q130 PolarHBondContact O-N 3.16Å; E128-Q130 PolarHBondContact OE2-NE2 3.19Å
129	T	48.9	Very low	69.4	Low	96 Å²	96	88.4 Å²	88.4	59%	0.589	50%	0.503	S	S	*	.			trans	-66.3	81	158.1	-32.6	0	0	0	0	104.6	E127 I131	E127-T129 PolarHBondContact O-N 3.45Å; T129-I131 PolarHBondContact O-N 3.13Å
130	Q	50.3	Low	69.7	Low	133 Å²	133	87 Å²	87	62%	0.621	50%	0.495	S	S	*	.			trans	-62.1	108.3	-179.8	-75.6	-168.9	-11.3	0	0	106.1	E128 T132	E128-Q130 HydrophobicContact CB-CG 3.89Å; E128-Q130 PolarHBondContact O-N 3.16Å; E128-Q130 PolarHBondContact OE2-NE2 3.19Å; Q130-T132 PolarHBondContact O-N 2.72Å
131	I	61.9	Low	70.4	Confident	77 Å²	77	84.4 Å²	84.4	40%	0.395	48%	0.479	S	S	.	.			trans	-66.6	95	166.8	-61.6	-178.9	0	0	0	105.5	D118 V120 T129 Q133	D118-I131 HydrophobicContact CB-CD1 3.41Å; D118-I131 VanDerWaalsContact CB-CD1 3.41Å; D118-I131 HydrophobicContact CB-CG2 4.21Å; V120-I131 HydrophobicContact CG2-CD1 3.63Å; V120-I131 HydrophobicContact CG2-CG1 4.17Å; T129-I131 PolarHBondContact O-N 3.13Å; I131-Q133 WeakPolarHBondContact CG2-O 3.34Å; I131-Q133 PolarHBondContact O-N 2.89Å
132	T	61.9	Low	71.3	Confident	124 Å²	124	81.6 Å²	81.6	76%	0.761	46%	0.455	S	S	*	.	S	Bend	trans	-68.2	-25.1	-175.9	53.3	0	0	0	0	111.7	Q130	Q130-T132 PolarHBondContact O-N 2.72Å
133	Q	77.9	Confident	72.7	Confident	162 Å²	162	80.2 Å²	80.2	76%	0.757	44%	0.44	S	S	*	.	S	Bend	trans	-140.6	115	177.2	-64	-174.6	-4.7	0	0	111.1	I131	I131-Q133 WeakPolarHBondContact CG2-O 3.34Å; I131-Q133 PolarHBondContact O-N 2.89Å
134	S	87.7	Confident	74.8	Confident	43 Å²	43	78.3 Å²	78.3	30%	0.301	42%	0.417	S	S	.	.			trans	-74.4	134.4	174	174.7	0	0	0	0	111	R106 D118 I136	R106-S134 WeakPolarHBondContact CD-OG 2.9Å; D118-S134 WeakPolarHBondContact OD1-CA 3.18Å; D118-S134 WeakPolarHBondContact OD2-CA 3.36Å; D118-S134 WeakPolarHBondContact OD2-CB 3.37Å; D118-S134 PolarHBondContact OD2-OG 3.11Å; S134-I136 PolarHBondContact OG-N 3.3Å
135	T	92.3	Very high	77.4	Confident	66 Å²	66	69.9 Å²	69.9	41%	0.405	38%	0.378	S	S	.	.			trans	-95.2	-9.1	176.4	51.6	0	0	0	0	113.2	D118 N188 C249	D118-T135 PolarHBondContact OD1-N 3.4Å; D118-T135 PolarHBondContact OD1-OG1 3.27Å; T135-N188 PolarHBondContact O-ND2 2.96Å; T135-C249 CarbonylContact C-O 3.55Å; T135-C249 WeakPolarHBondContact CB-O 3.24Å; T135-C249 PolarHBondContact OG1-O 2.82Å
136	I	95.8	Very high	80	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.021	35%	0.352	C	S	.	.	S	Bend	trans	-71	135.8	176.4	-55.4	179.6	0	0	0	109.8	R106 V116 T117 D118 S134 A140 L248 C249 A251	R106-I136 HydrophobicContact CB-CB 4.3Å; R106-I136 HydrophobicContact CB-CG2 4.13Å; R106-I136 WeakPolarHBondContact CD-O 3.47Å; R106-I136 PolarHBondContact NE-O 2.73Å; V116-I136 HydrophobicContact CG1-CD1 4.05Å; T117-I136 VanDerWaalsContact C-CD1 3.48Å; D118-I136 HydrophobicContact CB-CD1 4.46Å; S134-I136 PolarHBondContact OG-N 3.3Å; I136-A140 HydrophobicContact CG2-CB 4.39Å; I136-L248 HydrophobicContact CG2-CB 4.36Å; I136-C249 WeakPolarHBondContact CG1-O 3.45Å; I136-C249 PolarHBondContact N-O 2.78Å; I136-A251 HydrophobicContact CD1-CB 3.73Å
137	S	96.8	Very high	82.9	Confident	39 Å²	39	63.7 Å²	63.7	27%	0.273	32%	0.322	S	S	.	.			trans	-68	145.4	175.3	-73	0	0	0	0	111.9	R106 F139	R106-S137 PolarHBondContact N-O 2.84Å; R106-S137 VanDerWaalsContact N-O 3.11Å; S137-F139 VanDerWaalsContact C-N 3.25Å; S137-F139 PolarHBondContact O-N 3.42Å
138	R	97.2	Very high	85.6	Confident	127 Å²	127	59 Å²	59	48%	0.479	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-43	176.6	-77.7	176.4	68.4	178.4	2.2	112.2	G105 R106 S107 E109	G105-R138 CarbonylContact C-O 3.45Å; G105-R138 WeakPolarHBondContact CA-O 3.45Å; R106-R138 HydrophobicContact CG-CG 4.38Å; R106-R138 PolarHBondContact N-O 2.8Å; S107-R138 VanDerWaalsContact CB-O 3.27Å; S107-R138 WeakPolarHBondContact CB-O 3.33Å; S107-R138 PolarHBondContact N-O 3.32Å; E109-R138 IonicContact OE1-CZ 3.55Å; E109-R138 IonicContact OE1-NE 2.88Å; E109-R138 IonicContact OE1-NH2 3.78Å; E109-R138 PolarHBondContact OE1-NH2 3.28Å; E109-R138 IonicContact OE2-NH2 3.77Å
139	F	98.2	Very high	88.2	Confident	28 Å²	28	55.6 Å²	55.6	12%	0.123	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	87.6	174.3	-49	-88.3	0	0	0	107.1	E109 P111 I112 S137 G159 F160 D161	E109-F139 HydrophobicContact CB-CE1 4.4Å; E109-F139 HydrophobicContact CB-CZ 4.37Å; E109-F139 WeakPolarHBondContact OE1-CZ 3.46Å; P111-F139 HydrophobicContact CB-CE1 4.17Å; P111-F139 HydrophobicContact CG-CE1 4.25Å; I112-F139 HydrophobicContact CD1-CB 4.32Å; I112-F139 HydrophobicContact CD1-CD1 3.48Å; I112-F139 VanDerWaalsContact CD1-CD1 3.48Å; I112-F139 HydrophobicContact CD1-CE1 4.18Å; I112-F139 HydrophobicContact CD1-CG 4.25Å; I112-F139 HydrophobicContact CG1-CD1 3.9Å; I112-F139 HydrophobicContact CG1-CE1 4.08Å; S137-F139 VanDerWaalsContact C-N 3.25Å; S137-F139 PolarHBondContact O-N 3.42Å; F139-G159 WeakPolarHBondContact CB-O 3.5Å; F139-G159 PolarHBondContact O-N 2.84Å; F139-F160 WeakPolarHBondContact CD1-O 3.22Å; F139-D161 HydrophobicContact CD2-CB 3.95Å; F139-D161 HydrophobicContact CE1-CB 4.38Å; F139-D161 HydrophobicContact CE2-CB 3.52Å; F139-D161 HydrophobicContact CZ-CB 3.77Å
140	A	98.4	Very high	90.5	Very high	3 Å²	3	56.1 Å²	56.1	3%	0.025	31%	0.305	C	S	.	.			trans	-82.6	-48.4	-162.6	0	0	0	0	0	113.2	I104 I136 A158 V190 L248	I104-A140 WeakPolarHBondContact O-CA 3.5Å; I104-A140 WeakPolarHBondContact O-CB 3.24Å; I104-A140 PolarHBondContact O-N 2.78Å; I136-A140 HydrophobicContact CG2-CB 4.39Å; A140-A158 VanDerWaalsContact O-CA 3.26Å; A140-A158 WeakPolarHBondContact O-CA 3.49Å; A140-A158 PolarHBondContact O-N 2.95Å; A140-V190 VanDerWaalsContact O-CG2 3.29Å; A140-V190 WeakPolarHBondContact O-CG2 2.93Å; A140-L248 HydrophobicContact CB-CD1 4.21Å; A140-L248 HydrophobicContact CB-CD2 4.17Å
141	C	98.9	Very high	92.8	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	168.3	179.3	68.7	0	0	0	0	112.1	I104 I155 Y156 A158 V190 L248	I104-C141 PolarHBondContact N-O 3.48Å; I104-C141 PolarHBondContact O-N 2.88Å; I104-C141 VanDerWaalsContact O-N 3.14Å; C141-I155 HydrophobicContact CB-CD1 4.4Å; C141-I155 HydrophobicContact CB-CG1 4.33Å; C141-Y156 CarbonylContact C-O 3.55Å; C141-Y156 VanDerWaalsContact CA-O 3.28Å; C141-Y156 WeakPolarHBondContact CA-O 3.39Å; C141-Y156 VanDerWaalsContact CB-O 3.25Å; C141-Y156 WeakPolarHBondContact CB-O 3.33Å; C141-A158 CarbonylContact C-O 3.59Å; C141-A158 WeakPolarHBondContact CA-O 3.41Å; C141-V190 HydrophobicContact CB-CG1 4.25Å; C141-V190 HydrophobicContact CB-CG2 4.06Å; C141-L248 HydrophobicContact CB-CD2 4.24Å
142	R	98.9	Very high	94.5	Very high	7 Å²	7	51 Å²	51	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.3	169.6	-68.4	160.6	-69.5	151.2	3.6	108.8	M101 F102 Q103 V144 I155 Y156 A157 A158 V213	M101-R142 HydrophobicContact CG-CB 4.26Å; M101-R142 HydrophobicContact CG-CG 4.18Å; M101-R142 HydrophobicContact SD-CB 4.4Å; M101-R142 VanDerWaalsContact SD-CD 3.53Å; M101-R142 HydrophobicContact SD-CG 3.86Å; F102-R142 CarbonylContact O-C 3.53Å; F102-R142 WeakPolarHBondContact O-CA 3.24Å; Q103-R142 HydrophobicContact CG-CG 4.11Å; R142-V144 HydrophobicContact CB-CG2 4.48Å; R142-I155 CarbonylContact O-C 3.48Å; R142-I155 WeakPolarHBondContact O-CA 3.38Å; R142-Y156 PolarHBondContact N-O 2.88Å; R142-Y156 PolarHBondContact O-N 2.86Å; R142-A157 PolarHBondContact NH2-O 2.85Å; R142-A158 WeakPolarHBondContact CG-O 3.37Å; R142-A158 PolarHBondContact N-O 3.21Å; R142-A158 PolarHBondContact NE-O 2.79Å; R142-V213 PolarHBondContact NH2-O 3.07Å
143	V	98.9	Very high	96.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.8	161.9	179.3	0	0	0	0	107.4	L22 L45 F102 I104 A153 R154 I155 L240	L22-V143 HydrophobicContact CD1-CG2 4.29Å; L45-V143 HydrophobicContact CD2-CB 3.92Å; L45-V143 HydrophobicContact CD2-CG1 3.57Å; F102-V143 PolarHBondContact N-O 3.34Å; F102-V143 PolarHBondContact O-N 3.31Å; I104-V143 HydrophobicContact CD1-CB 4.41Å; I104-V143 HydrophobicContact CD1-CG2 3.82Å; V143-A153 HydrophobicContact CG1-CB 4.27Å; V143-R154 CarbonylContact C-O 3.51Å; V143-R154 WeakPolarHBondContact CA-O 3.46Å; V143-I155 HydrophobicContact CG2-CG1 4.47Å; V143-L240 HydrophobicContact CG1-CD1 4.09Å; V143-L240 HydrophobicContact CG2-CD1 4.12Å
144	V	98.9	Very high	97.3	Very high	18 Å²	18	40.8 Å²	40.8	11%	0.109	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.4	-178.6	-177.5	0	0	0	0	108.4	T99 D100 M101 R142 A153 R154 Y156	T99-V144 HydrophobicContact CG2-CG1 3.9Å; D100-V144 CarbonylContact O-C 3.57Å; D100-V144 VanDerWaalsContact O-CA 3.3Å; D100-V144 WeakPolarHBondContact O-CA 3.5Å; M101-V144 HydrophobicContact CB-CG2 4.45Å; M101-V144 HydrophobicContact CG-CG2 4.23Å; R142-V144 HydrophobicContact CB-CG2 4.48Å; V144-A153 CarbonylContact O-C 3.46Å; V144-A153 WeakPolarHBondContact O-CA 3.37Å; V144-R154 PolarHBondContact N-O 2.86Å; V144-R154 PolarHBondContact O-N 2.85Å; V144-Y156 HydrophobicContact CB-CD2 4.33Å; V144-Y156 HydrophobicContact CB-CE2 3.9Å; V144-Y156 HydrophobicContact CG2-CD2 3.79Å; V144-Y156 HydrophobicContact CG2-CE2 3.76Å
145	C	98.9	Very high	97.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.5	-178.1	-60.2	0	0	0	0	110.3	Y19 T99 D100 T152	Y19-C145 HydrophobicContact CD1-CB 3.98Å; Y19-C145 HydrophobicContact CD2-CB 3.47Å; Y19-C145 VanDerWaalsContact CD2-CB 3.47Å; Y19-C145 HydrophobicContact CE1-CB 4.14Å; Y19-C145 HydrophobicContact CE2-CB 3.65Å; Y19-C145 HydrophobicContact CG-CB 3.64Å; T99-C145 CarbonylContact C-O 3.55Å; T99-C145 VanDerWaalsContact CA-O 3.24Å; T99-C145 WeakPolarHBondContact CA-O 3.26Å; D100-C145 PolarHBondContact N-O 3.14Å; D100-C145 PolarHBondContact O-N 3.49Å; C145-T152 WeakPolarHBondContact CA-O 3.22Å
146	E	98.7	Very high	98.1	Very high	41 Å²	41	38 Å²	38	19%	0.192	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	135.7	168.7	-70	167.6	-174.7	0	0	110.2	Y19 S148 Y151 T152 R154	Y19-E146 WeakPolarHBondContact CE1-O 3.29Å; E146-S148 VanDerWaalsContact C-N 3.31Å; E146-Y151 WeakPolarHBondContact O-CA 3.38Å; E146-Y151 WeakPolarHBondContact O-CD1 3.35Å; E146-T152 VanDerWaalsContact CD-CB 3.47Å; E146-T152 PolarHBondContact N-O 2.83Å; E146-T152 WeakPolarHBondContact OE2-CB 3.42Å; E146-T152 PolarHBondContact OE2-N 3.15Å; E146-T152 PolarHBondContact OE2-OG1 2.8Å; E146-R154 IonicContact OE1-CZ 3.75Å; E146-R154 VanDerWaalsContact OE1-CZ 3.28Å; E146-R154 IonicContact OE1-NH1 2.82Å; E146-R154 PolarHBondContact OE1-NH1 3.22Å; E146-R154 IonicContact OE1-NH2 3.84Å; E146-R154 PolarHBondContact OE1-NH2 3.37Å
147	R	98.3	Very high	98.3	Very high	40 Å²	40	37.9 Å²	37.9	15%	0.151	20%	0.195	C	C	.	.	S	Bend	trans	-82.9	-9.6	-178.8	-69.1	173.7	61.1	78.3	2.1	113.1	Y19 K47 R48 K97 D98 D100 Y151	Y19-R147 WeakPolarHBondContact OH-CG 3.27Å; K47-R147 PolarHBondContact NZ-O 2.59Å; R48-R147 PolarHBondContact O-NH1 2.9Å; R48-R147 PolarHBondContact O-NH2 3.19Å; K97-R147 WeakPolarHBondContact O-CD 3.46Å; D98-R147 WeakPolarHBondContact O-CB 3.32Å; D98-R147 WeakPolarHBondContact O-CG 3.46Å; D98-R147 PolarHBondContact O-N 2.56Å; D100-R147 IonicContact OD1-CZ 3.37Å; D100-R147 IonicContact OD1-NH1 2.7Å; D100-R147 PolarHBondContact OD1-NH1 2.92Å; D100-R147 IonicContact OD2-NH1 3.43Å; D100-R147 PolarHBondContact OD2-NH1 2.94Å; R147-Y151 WeakPolarHBondContact O-CE1 3.3Å
148	S	97.5	Very high	98.4	Very high	66 Å²	66	36.3 Å²	36.3	46%	0.462	19%	0.185	S	C	.	.	S	Bend	trans	-109.8	152.2	175.5	53.1	0	0	0	0	110.8	E146 Y151	E146-S148 VanDerWaalsContact C-N 3.31Å; S148-Y151 VanDerWaalsContact C-CE1 3.46Å; S148-Y151 WeakPolarHBondContact O-CA 3.3Å; S148-Y151 WeakPolarHBondContact O-CD1 3.27Å; S148-Y151 PolarHBondContact O-N 3.38Å
149	P	96.7	Very high	98.4	Very high	92 Å²	92	30.4 Å²	30.4	60%	0.597	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.7	141.5	170.3	-25.2	33.1	0	0	0	111.9	Y151	P149-Y151 VanDerWaalsContact C-N 3.28Å; P149-Y151 HydrophobicContact CB-CE2 4.19Å; P149-Y151 HydrophobicContact CG-CE1 4.2Å; P149-Y151 HydrophobicContact CG-CE2 3.84Å; P149-Y151 WeakPolarHBondContact CG-OH 3.35Å
150	P	96.9	Very high	98.4	Very high	106 Å²	106	29.1 Å²	29.1	69%	0.688	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	cis	-84.1	14.1	6.4	35.9	-36.3	0	0	0	114.4
151	Y	98	Very high	98.3	Very high	73 Å²	73	31 Å²	31	29%	0.286	17%	0.168	S	C	.	.			trans	63	39.1	179.4	-46.4	-72.1	0	0	0	114.1	V17 Y19 E146 R147 S148 P149 A153	V17-Y151 HydrophobicContact CG1-CD1 4.41Å; V17-Y151 HydrophobicContact CG1-CD2 4.37Å; V17-Y151 HydrophobicContact CG1-CE1 4.14Å; V17-Y151 HydrophobicContact CG1-CE2 4.1Å; Y19-Y151 HydrophobicContact CD1-CD1 4.34Å; Y19-Y151 HydrophobicContact CD1-CG 4.28Å; Y19-Y151 AromaticContact CE1-CD1 3.87Å; Y19-Y151 HydrophobicContact CE1-CD1 3.87Å; Y19-Y151 HydrophobicContact CE1-CG 4.27Å; E146-Y151 WeakPolarHBondContact O-CA 3.38Å; E146-Y151 WeakPolarHBondContact O-CD1 3.35Å; R147-Y151 WeakPolarHBondContact O-CE1 3.3Å; S148-Y151 VanDerWaalsContact C-CE1 3.46Å; S148-Y151 WeakPolarHBondContact O-CA 3.3Å; S148-Y151 WeakPolarHBondContact O-CD1 3.27Å; S148-Y151 PolarHBondContact O-N 3.38Å; P149-Y151 VanDerWaalsContact C-N 3.28Å; P149-Y151 HydrophobicContact CB-CE2 4.19Å; P149-Y151 HydrophobicContact CG-CE1 4.2Å; P149-Y151 HydrophobicContact CG-CE2 3.84Å; P149-Y151 WeakPolarHBondContact CG-OH 3.35Å; Y151-A153 PolarHBondContact O-N 2.81Å
152	T	98.6	Very high	98.1	Very high	29 Å²	29	34.2 Å²	34.2	18%	0.178	19%	0.19	C	C	.	.			trans	-52	127.3	-177.1	-44.1	0	0	0	0	111.4	C145 E146 V239	C145-T152 WeakPolarHBondContact CA-O 3.22Å; E146-T152 VanDerWaalsContact CD-CB 3.47Å; E146-T152 PolarHBondContact N-O 2.83Å; E146-T152 WeakPolarHBondContact OE2-CB 3.42Å; E146-T152 PolarHBondContact OE2-N 3.15Å; E146-T152 PolarHBondContact OE2-OG1 2.8Å; T152-V239 HydrophobicContact CG2-CB 4.36Å; T152-V239 HydrophobicContact CG2-CG1 3.54Å; T152-V239 HydrophobicContact CG2-CG2 3.91Å
153	A	98.9	Very high	97.8	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.041	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.1	173.4	0	0	0	0	0	110.2	V143 V144 Y151 V239 L240 W255	V143-A153 HydrophobicContact CG1-CB 4.27Å; V144-A153 CarbonylContact O-C 3.46Å; V144-A153 WeakPolarHBondContact O-CA 3.37Å; Y151-A153 PolarHBondContact O-N 2.81Å; A153-V239 WeakPolarHBondContact O-CA 3.5Å; A153-L240 HydrophobicContact CB-CB 4.4Å; A153-L240 PolarHBondContact O-N 3.25Å; A153-W255 HydrophobicContact CB-CH2 3.92Å; A153-W255 HydrophobicContact CB-CZ2 3.52Å
154	R	98.9	Very high	97.6	Very high	67 Å²	67	41.9 Å²	41.9	25%	0.253	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.6	176.7	-72.1	-178.9	-168.7	79.3	-1.9	110.9	V143 V144 E146 Y156 N238 V239	V143-R154 CarbonylContact C-O 3.51Å; V143-R154 WeakPolarHBondContact CA-O 3.46Å; V144-R154 PolarHBondContact N-O 2.86Å; V144-R154 PolarHBondContact O-N 2.85Å; E146-R154 IonicContact OE1-CZ 3.75Å; E146-R154 VanDerWaalsContact OE1-CZ 3.28Å; E146-R154 IonicContact OE1-NH1 2.82Å; E146-R154 PolarHBondContact OE1-NH1 3.22Å; E146-R154 IonicContact OE1-NH2 3.84Å; E146-R154 PolarHBondContact OE1-NH2 3.37Å; R154-Y156 HydrophobicContact CB-CE2 3.73Å; R154-N238 CarbonylContact C-O 3.52Å; R154-N238 VanDerWaalsContact CA-O 3.28Å; R154-N238 WeakPolarHBondContact CA-O 3.28Å; R154-N238 WeakPolarHBondContact CD-OD1 3.19Å; R154-V239 HydrophobicContact CG-CG2 3.85Å
155	I	98.9	Very high	97.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	144.2	177.8	-169.3	168.2	0	0	0	111.7	C141 R142 V143 V190 V192 I211 N238 L240 V246	C141-I155 HydrophobicContact CB-CD1 4.4Å; C141-I155 HydrophobicContact CB-CG1 4.33Å; R142-I155 CarbonylContact O-C 3.48Å; R142-I155 WeakPolarHBondContact O-CA 3.38Å; V143-I155 HydrophobicContact CG2-CG1 4.47Å; I155-V190 HydrophobicContact CD1-CG1 4.11Å; I155-V192 HydrophobicContact CD1-CG2 4.23Å; I155-V192 HydrophobicContact CG2-CG2 3.83Å; I155-I211 HydrophobicContact CG2-CG1 4.17Å; I155-I211 HydrophobicContact CG2-CG2 4.44Å; I155-I211 WeakPolarHBondContact O-CG2 3.43Å; I155-N238 HydrophobicContact CG2-CB 4.4Å; I155-N238 PolarHBondContact N-O 3.35Å; I155-N238 WeakPolarHBondContact O-CB 3.32Å; I155-N238 PolarHBondContact O-ND2 3.25Å; I155-L240 HydrophobicContact CB-CD1 4.19Å; I155-L240 HydrophobicContact CB-CD2 4.18Å; I155-L240 HydrophobicContact CB-CG 4.14Å; I155-L240 HydrophobicContact CG2-CD2 3.91Å; I155-L240 HydrophobicContact CG2-CG 4.22Å; I155-V246 HydrophobicContact CD1-CB 4.2Å; I155-V246 HydrophobicContact CD1-CG1 3.4Å; I155-V246 HydrophobicContact CD1-CG2 3.68Å
156	Y	98.9	Very high	97.4	Very high	51 Å²	51	41.9 Å²	41.9	20%	0.2	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.6	177.5	-59.5	-100.2	0	0	0	109.1	C141 R142 V144 R154 C214	C141-Y156 CarbonylContact C-O 3.55Å; C141-Y156 VanDerWaalsContact CA-O 3.28Å; C141-Y156 WeakPolarHBondContact CA-O 3.39Å; C141-Y156 VanDerWaalsContact CB-O 3.25Å; C141-Y156 WeakPolarHBondContact CB-O 3.33Å; R142-Y156 PolarHBondContact N-O 2.88Å; R142-Y156 PolarHBondContact O-N 2.86Å; V144-Y156 HydrophobicContact CB-CD2 4.33Å; V144-Y156 HydrophobicContact CB-CE2 3.9Å; V144-Y156 HydrophobicContact CG2-CD2 3.79Å; V144-Y156 HydrophobicContact CG2-CE2 3.76Å; R154-Y156 HydrophobicContact CB-CE2 3.73Å; Y156-C214 VanDerWaalsContact CE1-O 3.26Å; Y156-C214 WeakPolarHBondContact CE1-O 3.33Å
157	A	98.8	Very high	97.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	155.1	173.1	0	0	0	0	0	111.6	R142 T186 V190 I211 S212 V213	R142-A157 PolarHBondContact NH2-O 2.85Å; A157-T186 HydrophobicContact CB-CG2 4.11Å; A157-V190 HydrophobicContact CB-CB 4.08Å; A157-V190 HydrophobicContact CB-CG2 3.9Å; A157-I211 VanDerWaalsContact CB-O 3.24Å; A157-I211 WeakPolarHBondContact CB-O 3.39Å; A157-S212 WeakPolarHBondContact CB-O 3.45Å; A157-S212 PolarHBondContact N-O 3.46Å; A157-V213 HydrophobicContact CB-CG2 4.28Å
158	A	98.5	Very high	97	Very high	6 Å²	6	44.5 Å²	44.5	5%	0.05	25%	0.245	C	C	.	.			trans	63	157.5	-172.7	0	0	0	0	0	114.5	A140 C141 R142 I166 T186 V213	A140-A158 VanDerWaalsContact O-CA 3.26Å; A140-A158 WeakPolarHBondContact O-CA 3.49Å; A140-A158 PolarHBondContact O-N 2.95Å; C141-A158 CarbonylContact C-O 3.59Å; C141-A158 WeakPolarHBondContact CA-O 3.41Å; R142-A158 WeakPolarHBondContact CG-O 3.37Å; R142-A158 PolarHBondContact N-O 3.21Å; R142-A158 PolarHBondContact NE-O 2.79Å; A158-I166 HydrophobicContact CB-CB 4.46Å; A158-I166 HydrophobicContact CB-CD1 3.94Å; A158-I166 HydrophobicContact CB-CG1 3.99Å; A158-I166 HydrophobicContact CB-CG2 3.59Å; A158-T186 HydrophobicContact CB-CG2 3.66Å; A158-V213 HydrophobicContact CB-CG2 4.15Å
159	G	98.1	Very high	96.7	Very high	4 Å²	4	42.2 Å²	42.2	4%	0.041	23%	0.232	C	C	.	.			trans	-125.7	154.9	164.9	0	0	0	0	0	110.8	F139 I166	F139-G159 WeakPolarHBondContact CB-O 3.5Å; F139-G159 PolarHBondContact O-N 2.84Å; G159-I166 WeakPolarHBondContact O-CG1 3.25Å
160	F	98	Very high	96.2	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	23%	0.225	C	C	.	.			trans	-68.4	132.8	174.4	-59.9	-77.2	0	0	0	110.3	V54 H77 S78 I79 Y93 M101 Q103 P111 F139 K164 I166	V54-F160 HydrophobicContact CG2-CE2 3.65Å; V54-F160 HydrophobicContact CG2-CZ 3.95Å; H77-F160 HydrophobicContact CB-CD1 4.07Å; H77-F160 HydrophobicContact CB-CE1 3.81Å; H77-F160 HydrophobicContact CB-CE2 4.43Å; H77-F160 HydrophobicContact CB-CG 4.5Å; H77-F160 HydrophobicContact CB-CZ 4Å; H77-F160 AromaticContact CD2-CD1 3.85Å; H77-F160 AromaticContact CD2-CD2 3.6Å; H77-F160 AromaticContact CD2-CG 3.47Å; H77-F160 VanDerWaalsContact CD2-CG 3.47Å; H77-F160 WeakPolarHBondContact CD2-CG 3.02Å; S78-F160 WeakPolarHBondContact O-CE1 3.22Å; I79-F160 HydrophobicContact CG1-CE1 3.99Å; Y93-F160 HydrophobicContact CD1-CZ 4.2Å; Y93-F160 HydrophobicContact CG-CZ 4.21Å; M101-F160 HydrophobicContact CE-CD2 3.75Å; M101-F160 HydrophobicContact CE-CE2 4Å; M101-F160 HydrophobicContact SD-CD2 3.91Å; M101-F160 HydrophobicContact SD-CE2 3.76Å; Q103-F160 PolarHBondContact NE2-O 2.82Å; P111-F160 WeakPolarHBondContact CB-O 3.47Å; F139-F160 WeakPolarHBondContact CD1-O 3.22Å; F160-K164 VanDerWaalsContact CD1-O 3.22Å; F160-K164 WeakPolarHBondContact CD1-O 3.36Å; F160-I166 HydrophobicContact CD1-CD1 3.88Å; F160-I166 HydrophobicContact CD1-CG1 3.75Å; F160-I166 HydrophobicContact CD2-CD1 4.46Å; F160-I166 HydrophobicContact CE1-CD1 3.79Å; F160-I166 HydrophobicContact CE1-CG1 4.09Å; F160-I166 HydrophobicContact CE2-CD1 4.39Å; F160-I166 HydrophobicContact CG-CD1 4.23Å; F160-I166 HydrophobicContact CG-CG1 4.18Å; F160-I166 HydrophobicContact CZ-CD1 4.06Å
161	D	96.1	Very high	95.7	Very high	43 Å²	43	45.6 Å²	45.6	23%	0.23	23%	0.228	C	C	.	.			trans	-75.8	-174.1	177.3	70.5	9	0	0	0	112.6	F139 S163 K164 N165	F139-D161 HydrophobicContact CD2-CB 3.95Å; F139-D161 HydrophobicContact CE1-CB 4.38Å; F139-D161 HydrophobicContact CE2-CB 3.52Å; F139-D161 HydrophobicContact CZ-CB 3.77Å; D161-S163 PolarHBondContact O-N 2.91Å; D161-S163 VanDerWaalsContact O-N 3.16Å; D161-S163 VanDerWaalsContact OD1-C 3.29Å; D161-S163 WeakPolarHBondContact OD1-CA 3.25Å; D161-S163 VanDerWaalsContact OD1-CB 3.22Å; D161-S163 WeakPolarHBondContact OD1-CB 3.35Å; D161-S163 PolarHBondContact OD1-N 3.14Å; D161-K164 WeakPolarHBondContact O-CA 3.29Å; D161-K164 PolarHBondContact O-N 2.86Å; D161-K164 PolarHBondContact OD1-N 3.01Å; D161-N165 PolarHBondContact N-O 2.96Å; D161-N165 PolarHBondContact OD1-N 2.88Å
162	S	94.4	Very high	95.4	Very high	68 Å²	68	42.5 Å²	42.5	48%	0.476	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.4	177.1	-65.3	0	0	0	0	113.7	E109 K164	E109-S162 WeakPolarHBondContact OE2-CB 3.41Å; E109-S162 PolarHBondContact OE2-OG 3.4Å; S162-K164 VanDerWaalsContact C-N 3.28Å
163	S	92.7	Very high	95.1	Very high	79 Å²	79	41.6 Å²	41.6	55%	0.552	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	8.6	171.4	-43	0	0	0	0	112.2	D161 N165	D161-S163 PolarHBondContact O-N 2.91Å; D161-S163 VanDerWaalsContact O-N 3.16Å; D161-S163 VanDerWaalsContact OD1-C 3.29Å; D161-S163 WeakPolarHBondContact OD1-CA 3.25Å; D161-S163 VanDerWaalsContact OD1-CB 3.22Å; D161-S163 WeakPolarHBondContact OD1-CB 3.35Å; D161-S163 PolarHBondContact OD1-N 3.14Å; S163-N165 PolarHBondContact O-N 3.41Å
164	K	95.5	Very high	94.9	Very high	89 Å²	89	43.5 Å²	43.5	39%	0.387	22%	0.22	S	C	.	.	S	Bend	trans	60.4	25.8	-175	-56.2	-176.5	-174.7	-179.5	0	113.7	G75 H77 S78 F160 D161 S162	G75-K164 WeakPolarHBondContact O-CD 3.35Å; G75-K164 PolarHBondContact O-NZ 3.06Å; H77-K164 CarbonylContact C-O 3.59Å; H77-K164 WeakPolarHBondContact CA-O 3.43Å; H77-K164 HydrophobicContact CB-CB 4.48Å; S78-K164 PolarHBondContact N-O 2.71Å; F160-K164 VanDerWaalsContact CD1-O 3.22Å; F160-K164 WeakPolarHBondContact CD1-O 3.36Å; D161-K164 WeakPolarHBondContact O-CA 3.29Å; D161-K164 PolarHBondContact O-N 2.86Å; D161-K164 PolarHBondContact OD1-N 3.01Å; S162-K164 VanDerWaalsContact C-N 3.28Å
165	N	95.8	Very high	94.7	Very high	13 Å²	13	42.9 Å²	42.9	7%	0.07	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.8	-175.8	175.2	69.3	0	0	0	111.9	S78 S80 D161 S163	S78-N165 CarbonylContact O-C 3.6Å; S78-N165 VanDerWaalsContact O-CA 3.29Å; S78-N165 WeakPolarHBondContact O-CA 3.42Å; S78-N165 PolarHBondContact O-OD1 3.35Å; S78-N165 PolarHBondContact OG-OD1 2.65Å; S80-N165 PolarHBondContact OG-OD1 3.33Å; D161-N165 PolarHBondContact N-O 2.96Å; D161-N165 PolarHBondContact OD1-N 2.88Å; S163-N165 PolarHBondContact O-N 3.41Å
166	I	97.2	Very high	94.3	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.1	161	-69.3	162	0	0	0	107.6	S78 I79 S80 A158 G159 F160 L168 V213	S78-I166 PolarHBondContact O-N 2.99Å; I79-I166 WeakPolarHBondContact CA-O 3.15Å; I79-I166 HydrophobicContact CB-CB 4.38Å; I79-I166 HydrophobicContact CD1-CD1 3.87Å; I79-I166 HydrophobicContact CG1-CB 4.05Å; I79-I166 HydrophobicContact CG1-CD1 4.1Å; I79-I166 HydrophobicContact CG2-CB 4.03Å; I79-I166 HydrophobicContact CG2-CG2 4Å; S80-I166 PolarHBondContact N-O 3.21Å; A158-I166 HydrophobicContact CB-CB 4.46Å; A158-I166 HydrophobicContact CB-CD1 3.94Å; A158-I166 HydrophobicContact CB-CG1 3.99Å; A158-I166 HydrophobicContact CB-CG2 3.59Å; G159-I166 WeakPolarHBondContact O-CG1 3.25Å; F160-I166 HydrophobicContact CD1-CD1 3.88Å; F160-I166 HydrophobicContact CD1-CG1 3.75Å; F160-I166 HydrophobicContact CD2-CD1 4.46Å; F160-I166 HydrophobicContact CE1-CD1 3.79Å; F160-I166 HydrophobicContact CE1-CG1 4.09Å; F160-I166 HydrophobicContact CE2-CD1 4.39Å; F160-I166 HydrophobicContact CG-CD1 4.23Å; F160-I166 HydrophobicContact CG-CG1 4.18Å; F160-I166 HydrophobicContact CZ-CD1 4.06Å; I166-L168 HydrophobicContact CG2-CG 4.47Å; I166-V213 HydrophobicContact CD1-CG1 4.36Å; I166-V213 HydrophobicContact CG2-CG1 4.27Å
167	F	94.4	Very high	93.7	Very high	130 Å²	130	48.2 Å²	48.2	57%	0.57	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.1	179.5	-179.8	-102.8	0	0	0	111.7	T82	T82-F167 WeakPolarHBondContact OG1-CE2 3.03Å
168	L	94.6	Very high	92.8	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	98.1	171.5	-67.5	167.8	0	0	0	108.8	I79 S80 Y81 T82 I166 A172 L185 V213	I79-L168 HydrophobicContact CG2-CD1 4.28Å; S80-L168 PolarHBondContact O-N 3.07Å; Y81-L168 HydrophobicContact CD1-CD1 3.47Å; Y81-L168 VanDerWaalsContact CD1-CD1 3.47Å; Y81-L168 HydrophobicContact CE1-CD1 3.37Å; Y81-L168 HydrophobicContact CG-CD1 4.41Å; T82-L168 PolarHBondContact N-O 3.22Å; I166-L168 HydrophobicContact CG2-CG 4.47Å; L168-A172 HydrophobicContact CB-CB 4.17Å; L168-A172 HydrophobicContact CD2-CB 4Å; L168-L185 WeakPolarHBondContact CD2-O 3.34Å; L168-V213 HydrophobicContact CD1-CB 4.46Å; L168-V213 HydrophobicContact CD1-CG2 4.13Å; L168-V213 HydrophobicContact CD2-CG2 4.2Å
169	G	90.6	Very high	92	Very high	18 Å²	18	59.1 Å²	59.1	19%	0.186	31%	0.307	C	S	.	.			trans	-69.7	177.6	-178.1	0	0	0	0	0	113.9	K171 A172 K174	G169-K171 PolarHBondContact O-N 3.35Å; G169-A172 WeakPolarHBondContact O-CB 3.49Å; G169-A172 PolarHBondContact O-N 3.41Å; G169-K174 PolarHBondContact O-NZ 2.7Å
170	E	86.5	Confident	91.4	Very high	95 Å²	95	61 Å²	61	44%	0.444	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-35.8	-176.3	-67.5	-177.6	-178.4	0	0	113.5	T82 R85 K174	T82-E170 HydrophobicContact CG2-CG 3.82Å; T82-E170 WeakPolarHBondContact O-CA 3.46Å; R85-E170 WeakPolarHBondContact CG-OE1 3.28Å; R85-E170 PolarHBondContact N-OE1 2.86Å; R85-E170 VanDerWaalsContact N-OE1 3.08Å; E170-K174 PolarHBondContact O-NZ 2.9Å
171	K	86.8	Confident	91	Very high	174 Å²	174	66.6 Å²	66.6	76%	0.757	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-27.7	-179.5	-64.5	-173.4	178.8	-177.1	0	113.5	G169 Q227	G169-K171 PolarHBondContact O-N 3.35Å; K171-Q227 PolarHBondContact O-OE1 2.93Å
172	A	91.3	Very high	91	Very high	8 Å²	8	65.5 Å²	65.5	7%	0.066	35%	0.346	C	S	.	.	S	Bend	trans	-64.3	140.8	-175.8	0	0	0	0	0	111.7	L168 G169 K174	L168-A172 HydrophobicContact CB-CB 4.17Å; L168-A172 HydrophobicContact CD2-CB 4Å; G169-A172 WeakPolarHBondContact O-CB 3.49Å; G169-A172 PolarHBondContact O-N 3.41Å; A172-K174 PolarHBondContact O-N 3.22Å; A172-K174 PolarHBondContact O-NZ 2.85Å
173	A	93.2	Very high	91.1	Very high	11 Å²	11	62.2 Å²	62.2	9%	0.091	32%	0.323	C	S	.	.			trans	-64	127	172.7	0	0	0	0	0	109.6	W175 G184 L185 Q227 P229	A173-W175 HydrophobicContact CB-CZ3 3.93Å; A173-G184 CarbonylContact O-C 3.59Å; A173-G184 WeakPolarHBondContact O-CA 3.49Å; A173-L185 HydrophobicContact CB-CB 4.37Å; A173-L185 HydrophobicContact CB-CD1 4.35Å; A173-L185 HydrophobicContact CB-CG 4.42Å; A173-L185 PolarHBondContact O-N 2.65Å; A173-Q227 WeakPolarHBondContact CB-O 3.07Å; A173-P229 HydrophobicContact CB-CB 4.46Å
174	K	94	Very high	91.3	Very high	44 Å²	44	58.5 Å²	58.5	19%	0.191	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	140.7	-177.8	57.5	-153.8	163.7	-54.6	0	110.7	Y81 T82 L83 G169 E170 A172 M182 D183	Y81-K174 HydrophobicContact CD1-CB 4.3Å; T82-K174 WeakPolarHBondContact O-CE 3.26Å; L83-K174 HydrophobicContact CD2-CD 3.9Å; L83-K174 HydrophobicContact CD2-CG 3.89Å; G169-K174 PolarHBondContact O-NZ 2.7Å; E170-K174 PolarHBondContact O-NZ 2.9Å; A172-K174 PolarHBondContact O-N 3.22Å; A172-K174 PolarHBondContact O-NZ 2.85Å; K174-M182 HydrophobicContact CB-CE 4.15Å; K174-D183 VanDerWaalsContact CA-O 3.23Å; K174-D183 WeakPolarHBondContact CA-O 3.22Å; K174-D183 WeakPolarHBondContact CB-O 3.21Å
175	W	93.8	Very high	91.4	Very high	54 Å²	54	54.2 Å²	54.2	21%	0.205	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	171.5	-174.7	57.3	92.8	0	0	0	109.8	A173 M182 D183 L185 Y218 P229	A173-W175 HydrophobicContact CB-CZ3 3.93Å; W175-M182 WeakPolarHBondContact O-CA 3.36Å; W175-M182 WeakPolarHBondContact O-CE 3.22Å; W175-D183 HydrophobicContact CZ2-CB 4.37Å; W175-D183 PolarHBondContact N-O 2.67Å; W175-D183 PolarHBondContact O-N 3.33Å; W175-L185 HydrophobicContact CH2-CD1 4.1Å; W175-L185 HydrophobicContact CH2-CD2 3.8Å; W175-L185 HydrophobicContact CH2-CG 3.57Å; W175-L185 HydrophobicContact CZ3-CD1 4.3Å; W175-L185 HydrophobicContact CZ3-CG 3.91Å; W175-Y218 AromaticContact CE2-CZ 3.86Å; W175-Y218 HydrophobicContact CH2-CE1 4.32Å; W175-Y218 HydrophobicContact CH2-CE2 4.25Å; W175-Y218 HydrophobicContact CZ2-CD2 4.48Å; W175-Y218 AromaticContact CZ2-CE1 3.77Å; W175-Y218 HydrophobicContact CZ2-CE1 3.77Å; W175-Y218 AromaticContact CZ2-CE2 3.63Å; W175-Y218 HydrophobicContact CZ2-CE2 3.63Å; W175-Y218 AromaticContact CZ2-CZ 3.23Å; W175-Y218 WeakPolarHBondContact CZ2-OH 3.47Å; W175-Y218 PolarHBondContact NE1-OH 2.88Å; W175-Y218 VanDerWaalsContact NE1-OH 3.07Å; W175-P229 HydrophobicContact CE3-CG 4.24Å; W175-P229 HydrophobicContact CH2-CB 4.11Å; W175-P229 HydrophobicContact CZ3-CB 3.78Å; W175-P229 HydrophobicContact CZ3-CG 3.96Å
176	K	92.1	Very high	91.4	Very high	145 Å²	145	54.3 Å²	54.3	63%	0.63	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.7	162.3	-70.2	-174.1	177.6	-174.2	0	108.4	H181 M182	K176-H181 CarbonylContact C-O 3.44Å; K176-H181 VanDerWaalsContact CA-O 3.27Å; K176-H181 WeakPolarHBondContact CA-O 3.38Å; K176-M182 HydrophobicContact CG-SD 3.58Å; K176-M182 VanDerWaalsContact CG-SD 3.58Å
177	N	84.7	Confident	91.2	Very high	19 Å²	19	58 Å²	58	10%	0.102	30%	0.302	C	S	.	.			trans	-71.6	172.6	174.5	79.5	-10.9	0	0	0	110.6	D179 G180 H181	N177-D179 PolarHBondContact O-N 2.8Å; N177-D179 VanDerWaalsContact O-N 3.15Å; N177-D179 PolarHBondContact OD1-N 3.04Å; N177-G180 WeakPolarHBondContact O-CA 3.21Å; N177-G180 PolarHBondContact O-N 2.98Å; N177-G180 PolarHBondContact OD1-N 2.97Å; N177-G180 VanDerWaalsContact OD1-N 3.16Å; N177-H181 PolarHBondContact N-O 2.91Å; N177-H181 WeakPolarHBondContact OD1-CA 3.44Å; N177-H181 WeakPolarHBondContact OD1-CB 3.19Å; N177-H181 PolarHBondContact OD1-N 2.81Å; N177-H181 PolarHBondContact OD1-O 3.42Å
178	P	80.9	Confident	91.2	Very high	108 Å²	108	53.5 Å²	53.5	70%	0.701	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.9	179.7	-28.2	37.2	0	0	0	114.4	G180	P178-G180 PolarHBondContact O-N 3.31Å
179	D	81.6	Confident	91.2	Very high	128 Å²	128	53.5 Å²	53.5	68%	0.684	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.7	176.7	-54.5	-46.5	0	0	0	113.4	N177 H181	N177-D179 PolarHBondContact O-N 2.8Å; N177-D179 VanDerWaalsContact O-N 3.15Å; N177-D179 PolarHBondContact OD1-N 3.04Å; D179-H181 VanDerWaalsContact C-N 3.32Å
180	G	84.6	Confident	91.6	Very high	44 Å²	44	52.8 Å²	52.8	45%	0.454	28%	0.277	S	S	.	.	S	Bend	trans	83	3.1	179.5	0	0	0	0	0	114.8	N177 P178	N177-G180 WeakPolarHBondContact O-CA 3.21Å; N177-G180 PolarHBondContact O-N 2.98Å; N177-G180 PolarHBondContact OD1-N 2.97Å; N177-G180 VanDerWaalsContact OD1-N 3.16Å; P178-G180 PolarHBondContact O-N 3.31Å
181	H	91.1	Very high	92.2	Very high	118 Å²	118	48.5 Å²	48.5	55%	0.546	26%	0.257	S	S	.	.			trans	-79.7	144.5	175.8	-63.2	-58.7	0	0	0	111.5	K176 N177 D179	K176-H181 CarbonylContact C-O 3.44Å; K176-H181 VanDerWaalsContact CA-O 3.27Å; K176-H181 WeakPolarHBondContact CA-O 3.38Å; N177-H181 PolarHBondContact N-O 2.91Å; N177-H181 WeakPolarHBondContact OD1-CA 3.44Å; N177-H181 WeakPolarHBondContact OD1-CB 3.19Å; N177-H181 PolarHBondContact OD1-N 2.81Å; N177-H181 PolarHBondContact OD1-O 3.42Å; D179-H181 VanDerWaalsContact C-N 3.32Å
182	M	95.1	Very high	92.8	Very high	19 Å²	19	40.3 Å²	40.3	9%	0.094	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	137.5	172.9	-78.5	-59.3	-51.4	0	0	110.6	Y81 L83 V89 K174 W175 K176 C214	Y81-M182 HydrophobicContact CD1-CB 4.29Å; Y81-M182 HydrophobicContact CD1-CE 3.9Å; Y81-M182 HydrophobicContact CD2-CB 4.04Å; Y81-M182 HydrophobicContact CE1-CB 4.15Å; Y81-M182 HydrophobicContact CE2-CB 3.92Å; Y81-M182 HydrophobicContact CG-CB 4.24Å; Y81-M182 HydrophobicContact CG-CE 4.06Å; Y81-M182 PolarHBondContact OH-O 2.78Å; L83-M182 HydrophobicContact CD2-CE 4.02Å; V89-M182 HydrophobicContact CB-CG 4.3Å; V89-M182 HydrophobicContact CG1-CG 3.92Å; K174-M182 HydrophobicContact CB-CE 4.15Å; W175-M182 WeakPolarHBondContact O-CA 3.36Å; W175-M182 WeakPolarHBondContact O-CE 3.22Å; K176-M182 HydrophobicContact CG-SD 3.58Å; K176-M182 VanDerWaalsContact CG-SD 3.58Å; M182-C214 PolarHBondContact O-SG 2.83Å
183	D	96.9	Very high	93.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	171.5	170.9	-163.9	11.9	0	0	0	110.3	K174 W175 S212 V213 C214	K174-D183 VanDerWaalsContact CA-O 3.23Å; K174-D183 WeakPolarHBondContact CA-O 3.22Å; K174-D183 WeakPolarHBondContact CB-O 3.21Å; W175-D183 HydrophobicContact CZ2-CB 4.37Å; W175-D183 PolarHBondContact N-O 2.67Å; W175-D183 PolarHBondContact O-N 3.33Å; D183-S212 WeakPolarHBondContact OD1-CB 3.45Å; D183-S212 PolarHBondContact OD1-OG 3.1Å; D183-S212 VanDerWaalsContact OD1-OG 3.1Å; D183-S212 WeakPolarHBondContact OD2-CB 3.32Å; D183-S212 PolarHBondContact OD2-OG 2.66Å; D183-V213 PolarHBondContact OD1-N 3.11Å; D183-C214 HydrophobicContact CB-CB 4.28Å; D183-C214 VanDerWaalsContact OD1-CB 3.31Å; D183-C214 WeakPolarHBondContact OD1-CB 3.4Å; D183-C214 PolarHBondContact OD1-N 3.21Å; D183-C214 PolarHBondContact OD1-SG 2.84Å
184	G	96.8	Very high	93.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	175.2	175.5	0	0	0	0	0	113.6	A173 V213	A173-G184 CarbonylContact O-C 3.59Å; A173-G184 WeakPolarHBondContact O-CA 3.49Å; G184-V213 WeakPolarHBondContact O-CG2 3.49Å; G184-V213 PolarHBondContact O-N 3.26Å
185	L	97.4	Very high	93.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.			trans	-112.6	146	178.5	-51.9	175.7	0	0	0	110.5	L168 A173 W175 E210 P229	L168-L185 WeakPolarHBondContact CD2-O 3.34Å; A173-L185 HydrophobicContact CB-CB 4.37Å; A173-L185 HydrophobicContact CB-CD1 4.35Å; A173-L185 HydrophobicContact CB-CG 4.42Å; A173-L185 PolarHBondContact O-N 2.65Å; W175-L185 HydrophobicContact CH2-CD1 4.1Å; W175-L185 HydrophobicContact CH2-CD2 3.8Å; W175-L185 HydrophobicContact CH2-CG 3.57Å; W175-L185 HydrophobicContact CZ3-CD1 4.3Å; W175-L185 HydrophobicContact CZ3-CG 3.91Å; L185-E210 HydrophobicContact CD2-CG 4.2Å; L185-P229 HydrophobicContact CD1-CB 3.63Å
186	T	96.3	Very high	93.5	Very high	15 Å²	15	42.6 Å²	42.6	9%	0.092	23%	0.231	C	C	.	.			trans	-68.6	159.3	168.2	59.3	0	0	0	0	110.3	A157 A158 N188 G189 V213 R221	A157-T186 HydrophobicContact CB-CG2 4.11Å; A158-T186 HydrophobicContact CB-CG2 3.66Å; T186-N188 VanDerWaalsContact C-N 3.35Å; T186-N188 PolarHBondContact O-N 2.85Å; T186-G189 PolarHBondContact O-N 2.8Å; T186-G189 WeakPolarHBondContact OG1-CA 3.33Å; T186-G189 PolarHBondContact OG1-N 3.36Å; T186-G189 VanDerWaalsContact OG1-N 3.16Å; T186-V213 HydrophobicContact CG2-CG2 4.19Å; T186-R221 PolarHBondContact O-NH2 3.45Å
187	T	93.2	Very high	93.4	Very high	83 Å²	83	38.6 Å²	38.6	51%	0.509	23%	0.23	S	C	.	.	S	Bend	trans	-51.6	-51.7	-176.2	-54.2	0	0	0	0	112.7	R221 S225	T187-R221 PolarHBondContact O-NH1 3.16Å; T187-S225 VanDerWaalsContact O-CA 3.3Å; T187-S225 WeakPolarHBondContact O-CA 3.36Å
188	N	93.4	Very high	93.8	Very high	36 Å²	36	38.8 Å²	38.8	19%	0.193	24%	0.236	C	C	.	.	S	Bend	trans	-93.2	-11.4	-177.7	-65.6	-13.2	0	0	0	113.4	T135 T186 R224 S225 C249	T135-N188 PolarHBondContact O-ND2 2.96Å; T186-N188 VanDerWaalsContact C-N 3.35Å; T186-N188 PolarHBondContact O-N 2.85Å; N188-R224 WeakPolarHBondContact O-CD 3.47Å; N188-R224 PolarHBondContact O-NE 2.89Å; N188-S225 PolarHBondContact OD1-OG 3.32Å; N188-C249 HydrophobicContact CB-CB 3.97Å
189	G	95.9	Very high	94.4	Very high	4 Å²	4	34.5 Å²	34.5	4%	0.041	21%	0.207	C	C	.	.			trans	73.7	151.4	-178.9	0	0	0	0	0	114.3	T186 E210 R224	T186-G189 PolarHBondContact O-N 2.8Å; T186-G189 WeakPolarHBondContact OG1-CA 3.33Å; T186-G189 PolarHBondContact OG1-N 3.36Å; T186-G189 VanDerWaalsContact OG1-N 3.16Å; G189-E210 WeakPolarHBondContact CA-OE1 3.48Å; G189-R224 PolarHBondContact O-NH2 3.11Å
190	V	98.6	Very high	94.9	Very high	4 Å²	4	32 Å²	32	2%	0.024	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.5	168.3	173.5	0	0	0	0	106.6	A140 C141 I155 A157 I211 V246 L248	A140-V190 VanDerWaalsContact O-CG2 3.29Å; A140-V190 WeakPolarHBondContact O-CG2 2.93Å; C141-V190 HydrophobicContact CB-CG1 4.25Å; C141-V190 HydrophobicContact CB-CG2 4.06Å; I155-V190 HydrophobicContact CD1-CG1 4.11Å; A157-V190 HydrophobicContact CB-CB 4.08Å; A157-V190 HydrophobicContact CB-CG2 3.9Å; V190-I211 PolarHBondContact O-N 3.41Å; V190-V246 HydrophobicContact CG1-CG1 4.03Å; V190-L248 HydrophobicContact CG1-CD2 4.03Å; V190-L248 HydrophobicContact CG2-CD2 4.19Å
191	L	98.6	Very high	95	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	146.6	-179.9	-46.2	-177.8	0	0	0	111	W208 R209 E210 L220 R224 V246 D247 P391	L191-W208 HydrophobicContact CB-CE3 3.6Å; L191-W208 HydrophobicContact CB-CZ3 4.03Å; L191-R209 CarbonylContact C-O 3.57Å; L191-R209 WeakPolarHBondContact CA-O 3.48Å; L191-R209 WeakPolarHBondContact CB-O 3.37Å; L191-E210 HydrophobicContact CD2-CB 3.75Å; L191-E210 HydrophobicContact CD2-CG 3.98Å; L191-L220 HydrophobicContact CD1-CD2 3.85Å; L191-L220 HydrophobicContact CD2-CD2 3.71Å; L191-L220 HydrophobicContact CG-CD2 4.31Å; L191-R224 VanDerWaalsContact CD1-CZ 3.48Å; L191-R224 VanDerWaalsContact CG-CZ 3.49Å; L191-V246 CarbonylContact O-C 3.6Å; L191-V246 WeakPolarHBondContact O-CA 3.39Å; L191-D247 HydrophobicContact CB-CB 4.18Å; L191-D247 PolarHBondContact N-O 3.46Å; L191-D247 PolarHBondContact O-N 2.91Å; L191-P391 HydrophobicContact CD1-CG 4.49Å
192	V	98.8	Very high	94.9	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.5	176.6	-179.6	0	0	0	0	110	I155 H194 W208 R209 I211 L240 L245 V246	I155-V192 HydrophobicContact CD1-CG2 4.23Å; I155-V192 HydrophobicContact CG2-CG2 3.83Å; V192-H194 VanDerWaalsContact CG1-CE1 3.48Å; V192-H194 WeakPolarHBondContact CG1-CE1 3.03Å; V192-W208 VanDerWaalsContact C-CE3 3.46Å; V192-W208 WeakPolarHBondContact O-CA 3.36Å; V192-R209 PolarHBondContact N-O 3.26Å; V192-R209 PolarHBondContact O-N 2.81Å; V192-I211 HydrophobicContact CB-CD1 4.3Å; V192-I211 HydrophobicContact CB-CG1 4.04Å; V192-I211 HydrophobicContact CG2-CD1 4.19Å; V192-I211 HydrophobicContact CG2-CG1 3.47Å; V192-I211 VanDerWaalsContact CG2-CG1 3.47Å; V192-L240 HydrophobicContact CG1-CD2 4.36Å; V192-L245 CarbonylContact C-O 3.58Å; V192-L245 VanDerWaalsContact CA-O 3.22Å; V192-L245 WeakPolarHBondContact CA-O 3.4Å; V192-V246 HydrophobicContact CG2-CG2 4.31Å
193	M	98.4	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.7	170.1	-174.6	-143.6	76.4	0	0	109.5	P195 W208 S244 L245 I388	M193-P195 HydrophobicContact CE-CB 4.2Å; M193-P195 HydrophobicContact CE-CG 3.6Å; M193-W208 HydrophobicContact CB-CD2 3.51Å; M193-W208 HydrophobicContact CB-CE3 3.67Å; M193-W208 HydrophobicContact CB-CG 4Å; M193-W208 HydrophobicContact CB-CH2 4.09Å; M193-W208 HydrophobicContact CB-CZ2 3.88Å; M193-W208 HydrophobicContact CB-CZ3 3.97Å; M193-W208 HydrophobicContact CG-CD2 4.36Å; M193-W208 HydrophobicContact CG-CG 4.43Å; M193-S244 WeakPolarHBondContact O-CA 3.24Å; M193-L245 HydrophobicContact CB-CB 4.5Å; M193-L245 HydrophobicContact CE-CD1 3.71Å; M193-L245 HydrophobicContact CE-CG 4.16Å; M193-L245 PolarHBondContact N-O 2.69Å; M193-L245 PolarHBondContact O-N 3Å; M193-L245 HydrophobicContact SD-CD1 4.43Å; M193-I388 HydrophobicContact CE-CD1 4.33Å; M193-I388 HydrophobicContact CE-CG2 4.1Å; M193-I388 HydrophobicContact SD-CG2 4.41Å
194	H	98.1	Very high	94.6	Very high	33 Å²	33	39.5 Å²	39.5	15%	0.153	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-100.9	116.9	171.3	-54.6	-60.5	0	0	0	109	V192 K196 G206 V239 S244	V192-H194 VanDerWaalsContact CG1-CE1 3.48Å; V192-H194 WeakPolarHBondContact CG1-CE1 3.03Å; H194-K196 PolarHBondContact O-N 2.82Å; H194-G206 WeakPolarHBondContact O-CA 3.26Å; H194-V239 PolarHBondContact CE1-O 2.99Å; H194-V239 VanDerWaalsContact CE1-O 3.23Å; H194-S244 PolarHBondContact CE1-OG 2.73Å; H194-S244 VanDerWaalsContact CE1-OG 3.32Å; H194-S244 PolarHBondContact ND1-OG 2.87Å
195	P	96.2	Very high	94.4	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.019	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-59.3	136	173	-16.6	26.9	0	0	0	110.3	M193 G197 G198 G243 Y384 I388	M193-P195 HydrophobicContact CE-CB 4.2Å; M193-P195 HydrophobicContact CE-CG 3.6Å; P195-G197 PolarHBondContact O-N 2.65Å; P195-G198 WeakPolarHBondContact CB-O 3.47Å; P195-G198 PolarHBondContact O-N 3.01Å; P195-G243 VanDerWaalsContact CD-O 3.32Å; P195-G243 WeakPolarHBondContact CD-O 3.33Å; P195-G243 WeakPolarHBondContact CG-O 3.44Å; P195-Y384 VanDerWaalsContact CG-OH 3.27Å; P195-Y384 WeakPolarHBondContact CG-OH 3.47Å; P195-I388 HydrophobicContact CB-CD1 4.46Å
196	K	94.9	Very high	94.4	Very high	129 Å²	129	42.1 Å²	42.1	56%	0.561	23%	0.232	S	C	*	.	B	Isolated β-bridge	trans	-74.6	125.6	178.9	-63.7	-179.6	-176.8	178.3	0	108.8	H194 S203 K204	H194-K196 PolarHBondContact O-N 2.82Å; K196-S203 CarbonylContact O-C 3.57Å; K196-S203 VanDerWaalsContact O-CA 3.24Å; K196-S203 WeakPolarHBondContact O-CA 3.42Å; K196-K204 HydrophobicContact CB-CB 4.26Å; K196-K204 PolarHBondContact N-O 2.99Å; K196-K204 PolarHBondContact O-N 3.19Å
197	G	90.9	Very high	94.4	Very high	60 Å²	60	44.9 Å²	44.9	62%	0.619	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.6	2.6	-175	0	0	0	0	0	114.3	P195	P195-G197 PolarHBondContact O-N 2.65Å
198	G	91.7	Very high	94.6	Very high	23 Å²	23	41.5 Å²	41.5	24%	0.237	23%	0.227	C	C	.	.	S	Bend	trans	89.7	-157.5	179.2	0	0	0	0	0	112.8	P195 S203	P195-G198 WeakPolarHBondContact CB-O 3.47Å; P195-G198 PolarHBondContact O-N 3.01Å; G198-S203 VanDerWaalsContact C-OG 3.31Å; G198-S203 VanDerWaalsContact O-CB 3.29Å; G198-S203 WeakPolarHBondContact O-CB 3.47Å; G198-S203 PolarHBondContact O-OG 2.96Å
199	F	94.6	Very high	94.9	Very high	19 Å²	19	41.7 Å²	41.7	8%	0.083	23%	0.225	C	C	.	.	S	Bend	trans	-104.1	79.7	179.2	-165	-96.6	0	0	0	111.3	G243 L254 V361 Y384 W385	F199-G243 VanDerWaalsContact CD2-CA 3.41Å; F199-L254 HydrophobicContact CD2-CD1 4.3Å; F199-L254 HydrophobicContact CE2-CD1 3.85Å; F199-L254 HydrophobicContact CE2-CD2 4.09Å; F199-L254 HydrophobicContact CZ-CD2 4.02Å; F199-V361 HydrophobicContact CD1-CG1 3.92Å; F199-V361 HydrophobicContact CE1-CG1 3.73Å; F199-V361 HydrophobicContact CZ-CG1 4.15Å; F199-Y384 HydrophobicContact CD2-CE1 4.05Å; F199-Y384 AromaticContact CD2-CZ 3.72Å; F199-Y384 VanDerWaalsContact CD2-OH 3.25Å; F199-Y384 WeakPolarHBondContact CD2-OH 3.35Å; F199-Y384 AromaticContact CE2-CE1 3.56Å; F199-Y384 HydrophobicContact CE2-CE1 3.56Å; F199-Y384 AromaticContact CE2-CZ 3.72Å; F199-Y384 WeakPolarHBondContact CE2-OH 3.44Å; F199-Y384 HydrophobicContact CZ-CE1 4.13Å; F199-W385 HydrophobicContact CE2-CH2 4.34Å; F199-W385 AromaticContact CE2-CZ2 3.88Å; F199-W385 HydrophobicContact CE2-CZ2 3.88Å; F199-W385 AromaticContact CZ-CZ2 3.87Å; F199-W385 HydrophobicContact CZ-CZ2 3.87Å
200	M	91.7	Very high	95	Very high	75 Å²	75	41.7 Å²	41.7	37%	0.369	22%	0.224	S	C	.	.	S	Bend	trans	-146.9	176.6	-178	60.6	-166.9	-39.8	0	0	110.7	E202 S203 Y384	M200-E202 HydrophobicContact CE-CG 4.38Å; M200-E202 WeakPolarHBondContact CE-OE1 3.46Å; M200-E202 WeakPolarHBondContact CE-OE2 3.35Å; M200-E202 HydrophobicContact CG-CG 3.93Å; M200-E202 WeakPolarHBondContact CG-OE2 3.5Å; M200-E202 PolarHBondContact O-N 2.9Å; M200-E202 VanDerWaalsContact SD-CD 3.6Å; M200-E202 HydrophobicContact SD-CG 4.07Å; M200-S203 WeakPolarHBondContact CG-OG 3.43Å; M200-S203 PolarHBondContact N-OG 3.38Å; M200-S203 VanDerWaalsContact N-OG 3.15Å; M200-S203 VanDerWaalsContact O-CB 3.26Å; M200-S203 WeakPolarHBondContact O-CB 3.25Å; M200-S203 PolarHBondContact O-N 2.95Å; M200-S203 PolarHBondContact O-OG 3.38Å; M200-S203 VanDerWaalsContact O-OG 3.14Å; M200-Y384 VanDerWaalsContact O-CD2 3.26Å; M200-Y384 WeakPolarHBondContact O-CD2 3.03Å
201	E	85.9	Confident	95	Very high	70 Å²	70	41.5 Å²	41.5	33%	0.327	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-42.7	-173.9	179.6	-175.1	-169.1	0	0	112.8	S203 V361 K380	E201-S203 PolarHBondContact O-N 2.86Å; E201-V361 HydrophobicContact CB-CG2 4.5Å; E201-K380 HydrophobicContact CB-CB 4.15Å; E201-K380 HydrophobicContact CB-CD 4.26Å; E201-K380 HydrophobicContact CB-CG 4.5Å; E201-K380 VanDerWaalsContact CD-CG 3.44Å; E201-K380 HydrophobicContact CG-CB 3.89Å; E201-K380 HydrophobicContact CG-CD 4.23Å; E201-K380 HydrophobicContact CG-CG 4.06Å; E201-K380 WeakPolarHBondContact OE1-CG 3.49Å; E201-K380 WeakPolarHBondContact OE2-CD 3.43Å; E201-K380 WeakPolarHBondContact OE2-CE 3.26Å; E201-K380 IonicContact OE2-NZ 2.72Å; E201-K380 PolarHBondContact OE2-NZ 3.47Å
202	E	89.4	Confident	95	Very high	125 Å²	125	41.3 Å²	41.3	58%	0.584	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-0	-177.2	62.7	-95.6	-128.2	0	0	114	M200	M200-E202 HydrophobicContact CE-CG 4.38Å; M200-E202 WeakPolarHBondContact CE-OE1 3.46Å; M200-E202 WeakPolarHBondContact CE-OE2 3.35Å; M200-E202 HydrophobicContact CG-CG 3.93Å; M200-E202 WeakPolarHBondContact CG-OE2 3.5Å; M200-E202 PolarHBondContact O-N 2.9Å; M200-E202 VanDerWaalsContact SD-CD 3.6Å; M200-E202 HydrophobicContact SD-CG 4.07Å
203	S	92.3	Very high	95	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-64.2	138.4	-178.8	-67.2	0	0	0	0	111.5	K196 G198 M200 E201	K196-S203 CarbonylContact O-C 3.57Å; K196-S203 VanDerWaalsContact O-CA 3.24Å; K196-S203 WeakPolarHBondContact O-CA 3.42Å; G198-S203 VanDerWaalsContact C-OG 3.31Å; G198-S203 VanDerWaalsContact O-CB 3.29Å; G198-S203 WeakPolarHBondContact O-CB 3.47Å; G198-S203 PolarHBondContact O-OG 2.96Å; M200-S203 WeakPolarHBondContact CG-OG 3.43Å; M200-S203 PolarHBondContact N-OG 3.38Å; M200-S203 VanDerWaalsContact N-OG 3.15Å; M200-S203 VanDerWaalsContact O-CB 3.26Å; M200-S203 WeakPolarHBondContact O-CB 3.25Å; M200-S203 PolarHBondContact O-N 2.95Å; M200-S203 PolarHBondContact O-OG 3.38Å; M200-S203 VanDerWaalsContact O-OG 3.14Å; E201-S203 PolarHBondContact O-N 2.86Å
204	K	93.6	Very high	94.9	Very high	141 Å²	141	43.1 Å²	43.1	61%	0.613	23%	0.234	S	C	*	.	B	Isolated β-bridge	trans	-101.8	155.2	175.9	-65.3	-175.7	179.7	-178.8	0	110.9	K196 G206	K196-K204 HydrophobicContact CB-CB 4.26Å; K196-K204 PolarHBondContact N-O 2.99Å; K196-K204 PolarHBondContact O-N 3.19Å; K204-G206 PolarHBondContact O-N 2.88Å
205	P	93.1	Very high	94.9	Very high	44 Å²	44	41.9 Å²	41.9	29%	0.286	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-52	133.8	172.3	-29.7	37.9	0	0	0	112.8	E387 I388 P389	P205-E387 HydrophobicContact CG-CB 4.31Å; P205-E387 WeakPolarHBondContact CG-O 3.37Å; P205-I388 HydrophobicContact CG-CD1 4.39Å; P205-P389 HydrophobicContact CB-CG 4.33Å
206	G	96.1	Very high	95	Very high	11 Å²	11	44 Å²	44	11%	0.113	24%	0.241	C	C	.	.			trans	-78.2	-178.1	168.5	0	0	0	0	0	112.2	H194 K204	H194-G206 WeakPolarHBondContact O-CA 3.26Å; K204-G206 PolarHBondContact O-N 2.88Å
207	V	97.1	Very high	95.2	Very high	74 Å²	74	38.1 Å²	38.1	45%	0.448	22%	0.216	S	C	.	.			trans	-102.4	132.1	169.2	-177.8	0	0	0	0	107.8
208	W	98.1	Very high	95.5	Very high	11 Å²	11	35.8 Å²	35.8	4%	0.042	19%	0.189	C	C	.	.			trans	-69.3	130.9	172	-75.9	96.9	0	0	0	110.4	L191 V192 M193 L220 L245 D247 T252 P389 L390 P391 F397	L191-W208 HydrophobicContact CB-CE3 3.6Å; L191-W208 HydrophobicContact CB-CZ3 4.03Å; V192-W208 VanDerWaalsContact C-CE3 3.46Å; V192-W208 WeakPolarHBondContact O-CA 3.36Å; M193-W208 HydrophobicContact CB-CD2 3.51Å; M193-W208 HydrophobicContact CB-CE3 3.67Å; M193-W208 HydrophobicContact CB-CG 4Å; M193-W208 HydrophobicContact CB-CH2 4.09Å; M193-W208 HydrophobicContact CB-CZ2 3.88Å; M193-W208 HydrophobicContact CB-CZ3 3.97Å; M193-W208 HydrophobicContact CG-CD2 4.36Å; M193-W208 HydrophobicContact CG-CG 4.43Å; W208-L220 HydrophobicContact CB-CD1 4.12Å; W208-L220 HydrophobicContact CB-CD2 4.05Å; W208-L220 HydrophobicContact CB-CG 4.41Å; W208-L220 WeakPolarHBondContact O-CG 3.25Å; W208-L245 HydrophobicContact CH2-CB 3.49Å; W208-L245 VanDerWaalsContact CH2-CB 3.49Å; W208-L245 HydrophobicContact CH2-CD1 4.4Å; W208-L245 HydrophobicContact CZ2-CB 3.97Å; W208-L245 HydrophobicContact CZ2-CD1 4.07Å; W208-L245 HydrophobicContact CZ3-CB 4.29Å; W208-D247 HydrophobicContact CH2-CB 4.11Å; W208-D247 HydrophobicContact CZ3-CB 3.86Å; W208-T252 HydrophobicContact CH2-CG2 4.15Å; W208-P389 PolarHBondContact NE1-O 2.85Å; W208-L390 HydrophobicContact CZ2-CD2 4.29Å; W208-P391 HydrophobicContact CD2-CG 4.14Å; W208-P391 HydrophobicContact CE3-CG 4.38Å; W208-P391 HydrophobicContact CH2-CG 4.14Å; W208-P391 VanDerWaalsContact CZ2-CD 3.44Å; W208-P391 HydrophobicContact CZ2-CG 3.95Å; W208-P391 HydrophobicContact CZ3-CG 4.37Å; W208-F397 HydrophobicContact CB-CE1 4.03Å; W208-F397 HydrophobicContact CB-CZ 4.44Å; W208-F397 AromaticContact CD1-CD1 3.47Å; W208-F397 VanDerWaalsContact CD1-CD1 3.47Å; W208-F397 AromaticContact CD1-CE1 3.32Å; W208-F397 HydrophobicContact CD2-CE1 4.29Å; W208-F397 HydrophobicContact CG-CD1 4.21Å; W208-F397 AromaticContact CG-CE1 3.61Å; W208-F397 HydrophobicContact CG-CE1 3.61Å; W208-F397 HydrophobicContact CG-CZ 4.47Å; W208-F397 AromaticContact NE1-CD1 3.69Å; W208-F397 AromaticContact NE1-CE1 3.86Å
209	R	98.4	Very high	95.8	Very high	41 Å²	41	36.6 Å²	36.6	16%	0.155	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	154.3	176.3	-59.7	-57.1	-172.9	-168.8	5.3	110.4	L191 V192 V217 Y218 E236	L191-R209 CarbonylContact C-O 3.57Å; L191-R209 WeakPolarHBondContact CA-O 3.48Å; L191-R209 WeakPolarHBondContact CB-O 3.37Å; V192-R209 PolarHBondContact N-O 3.26Å; V192-R209 PolarHBondContact O-N 2.81Å; R209-V217 HydrophobicContact CB-CG1 3.58Å; R209-V217 HydrophobicContact CG-CG1 3.65Å; R209-Y218 CarbonylContact C-O 3.31Å; R209-Y218 WeakPolarHBondContact CA-O 3.25Å; R209-Y218 WeakPolarHBondContact CB-O 3.25Å; R209-E236 WeakPolarHBondContact CG-OE2 3.43Å; R209-E236 IonicContact CZ-OE1 2.67Å; R209-E236 IonicContact CZ-OE2 2.7Å; R209-E236 IonicContact NE-OE1 3.37Å; R209-E236 PolarHBondContact NE-OE1 3.01Å; R209-E236 IonicContact NE-OE2 2.85Å; R209-E236 PolarHBondContact NE-OE2 3.39Å; R209-E236 IonicContact NH2-OE1 3.52Å; R209-E236 PolarHBondContact NH2-OE1 3.02Å; R209-E236 IonicContact NH2-OE2 3.23Å
210	E	98.6	Very high	95.9	Very high	3 Å²	3	38.4 Å²	38.4	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.5	170.1	-174.5	167.8	-165.2	0	0	109.9	L185 G189 L191 Y218 R221	L185-E210 HydrophobicContact CD2-CG 4.2Å; G189-E210 WeakPolarHBondContact CA-OE1 3.48Å; L191-E210 HydrophobicContact CD2-CB 3.75Å; L191-E210 HydrophobicContact CD2-CG 3.98Å; E210-Y218 PolarHBondContact N-O 2.86Å; E210-Y218 PolarHBondContact O-N 2.81Å; E210-R221 IonicContact OE1-CZ 3.73Å; E210-R221 VanDerWaalsContact OE1-CZ 3.29Å; E210-R221 IonicContact OE1-NE 2.73Å; E210-R221 PolarHBondContact OE1-NE 3.33Å; E210-R221 IonicContact OE1-NH2 2.65Å; E210-R221 PolarHBondContact OE1-NH2 3.27Å; E210-R221 WeakPolarHBondContact OE2-CG 3.33Å; E210-R221 IonicContact OE2-CZ 3.68Å; E210-R221 IonicContact OE2-NE 3.36Å; E210-R221 PolarHBondContact OE2-NE 3.14Å; E210-R221 IonicContact OE2-NH2 2.99Å
211	I	98.7	Very high	96.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.1	178.2	-54.4	-59	0	0	0	109.2	I155 A157 V190 V192 V217 N238	I155-I211 HydrophobicContact CG2-CG1 4.17Å; I155-I211 HydrophobicContact CG2-CG2 4.44Å; I155-I211 WeakPolarHBondContact O-CG2 3.43Å; A157-I211 VanDerWaalsContact CB-O 3.24Å; A157-I211 WeakPolarHBondContact CB-O 3.39Å; V190-I211 PolarHBondContact O-N 3.41Å; V192-I211 HydrophobicContact CB-CD1 4.3Å; V192-I211 HydrophobicContact CB-CG1 4.04Å; V192-I211 HydrophobicContact CG2-CD1 4.19Å; V192-I211 HydrophobicContact CG2-CG1 3.47Å; V192-I211 VanDerWaalsContact CG2-CG1 3.47Å; I211-V217 HydrophobicContact CD1-CG1 4.44Å; I211-V217 HydrophobicContact CD1-CG2 3.99Å; I211-N238 HydrophobicContact CD1-CB 4.35Å; I211-N238 HydrophobicContact CG2-CB 4.31Å
212	S	98.4	Very high	96.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-80.9	173.9	177.6	81.6	0	0	0	0	113.1	A157 D183 C214 G215 D216	A157-S212 WeakPolarHBondContact CB-O 3.45Å; A157-S212 PolarHBondContact N-O 3.46Å; D183-S212 WeakPolarHBondContact OD1-CB 3.45Å; D183-S212 PolarHBondContact OD1-OG 3.1Å; D183-S212 VanDerWaalsContact OD1-OG 3.1Å; D183-S212 WeakPolarHBondContact OD2-CB 3.32Å; D183-S212 PolarHBondContact OD2-OG 2.66Å; S212-C214 VanDerWaalsContact C-N 3.27Å; S212-C214 PolarHBondContact O-N 2.82Å; S212-C214 PolarHBondContact OG-N 3.07Å; S212-G215 PolarHBondContact O-N 2.78Å; S212-G215 PolarHBondContact OG-N 3.04Å; S212-D216 PolarHBondContact N-O 2.98Å; S212-D216 PolarHBondContact OG-N 3.26Å
213	V	98.3	Very high	96.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-67.5	-30.1	176.5	172	0	0	0	0	111.7	I79 R142 A157 A158 I166 L168 D183 G184 T186	I79-V213 HydrophobicContact CD1-CG1 3.52Å; I79-V213 HydrophobicContact CG2-CG1 4.15Å; R142-V213 PolarHBondContact NH2-O 3.07Å; A157-V213 HydrophobicContact CB-CG2 4.28Å; A158-V213 HydrophobicContact CB-CG2 4.15Å; I166-V213 HydrophobicContact CD1-CG1 4.36Å; I166-V213 HydrophobicContact CG2-CG1 4.27Å; L168-V213 HydrophobicContact CD1-CB 4.46Å; L168-V213 HydrophobicContact CD1-CG2 4.13Å; L168-V213 HydrophobicContact CD2-CG2 4.2Å; D183-V213 PolarHBondContact OD1-N 3.11Å; G184-V213 WeakPolarHBondContact O-CG2 3.49Å; G184-V213 PolarHBondContact O-N 3.26Å; T186-V213 HydrophobicContact CG2-CG2 4.19Å
214	C	97.9	Very high	96.4	Very high	40 Å²	40	39.6 Å²	39.6	27%	0.27	21%	0.206	S	C	.	.	S	Bend	trans	-92.2	-2	174	-64.5	0	0	0	0	114	Y81 Y156 M182 D183 S212	Y81-C214 PolarHBondContact OH-SG 2.81Å; Y81-C214 VanDerWaalsContact OH-SG 3.4Å; Y156-C214 VanDerWaalsContact CE1-O 3.26Å; Y156-C214 WeakPolarHBondContact CE1-O 3.33Å; M182-C214 PolarHBondContact O-SG 2.83Å; D183-C214 HydrophobicContact CB-CB 4.28Å; D183-C214 VanDerWaalsContact OD1-CB 3.31Å; D183-C214 WeakPolarHBondContact OD1-CB 3.4Å; D183-C214 PolarHBondContact OD1-N 3.21Å; D183-C214 PolarHBondContact OD1-SG 2.84Å; S212-C214 VanDerWaalsContact C-N 3.27Å; S212-C214 PolarHBondContact O-N 2.82Å; S212-C214 PolarHBondContact OG-N 3.07Å
215	G	97.8	Very high	96.3	Very high	7 Å²	7	34.8 Å²	34.8	7%	0.072	19%	0.19	C	C	.	.	S	Bend	trans	94.2	11.8	171.7	0	0	0	0	0	115.1	S212 N238	S212-G215 PolarHBondContact O-N 2.78Å; S212-G215 PolarHBondContact OG-N 3.04Å; G215-N238 VanDerWaalsContact O-CB 3.28Å; G215-N238 WeakPolarHBondContact O-CB 3.32Å; G215-N238 VanDerWaalsContact O-CG 3.28Å; G215-N238 PolarHBondContact O-ND2 2.92Å
216	D	97.6	Very high	96.2	Very high	48 Å²	48	33.7 Å²	33.7	26%	0.257	19%	0.185	S	C	.	.			trans	-74.4	153.1	171	-74.2	-13.1	0	0	0	110.4	S212 Y218 L232	S212-D216 PolarHBondContact N-O 2.98Å; S212-D216 PolarHBondContact OG-N 3.26Å; D216-Y218 HydrophobicContact CB-CD2 4.4Å; D216-Y218 HydrophobicContact CB-CE2 3.55Å; D216-L232 HydrophobicContact CB-CD1 4.12Å
217	V	98.3	Very high	95.8	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.2	-175.2	-173.9	0	0	0	0	110.4	R209 I211 V233 E236 S237	R209-V217 HydrophobicContact CB-CG1 3.58Å; R209-V217 HydrophobicContact CG-CG1 3.65Å; I211-V217 HydrophobicContact CD1-CG1 4.44Å; I211-V217 HydrophobicContact CD1-CG2 3.99Å; V217-V233 HydrophobicContact CG1-CB 4.28Å; V217-V233 PolarHBondContact O-N 2.76Å; V217-E236 HydrophobicContact CB-CB 4.38Å; V217-E236 HydrophobicContact CG1-CB 4.03Å; V217-E236 HydrophobicContact CG2-CB 4.47Å; V217-S237 VanDerWaalsContact CG2-C 3.47Å
218	Y	98.1	Very high	95.6	Very high	11 Å²	11	39.2 Å²	39.2	4%	0.043	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.8	179	-67.4	-97	0	0	0	111.3	W175 R209 E210 D216 K231 L232	W175-Y218 AromaticContact CE2-CZ 3.86Å; W175-Y218 HydrophobicContact CH2-CE1 4.32Å; W175-Y218 HydrophobicContact CH2-CE2 4.25Å; W175-Y218 HydrophobicContact CZ2-CD2 4.48Å; W175-Y218 AromaticContact CZ2-CE1 3.77Å; W175-Y218 HydrophobicContact CZ2-CE1 3.77Å; W175-Y218 AromaticContact CZ2-CE2 3.63Å; W175-Y218 HydrophobicContact CZ2-CE2 3.63Å; W175-Y218 AromaticContact CZ2-CZ 3.23Å; W175-Y218 WeakPolarHBondContact CZ2-OH 3.47Å; W175-Y218 PolarHBondContact NE1-OH 2.88Å; W175-Y218 VanDerWaalsContact NE1-OH 3.07Å; R209-Y218 CarbonylContact C-O 3.31Å; R209-Y218 WeakPolarHBondContact CA-O 3.25Å; R209-Y218 WeakPolarHBondContact CB-O 3.25Å; E210-Y218 PolarHBondContact N-O 2.86Å; E210-Y218 PolarHBondContact O-N 2.81Å; D216-Y218 HydrophobicContact CB-CD2 4.4Å; D216-Y218 HydrophobicContact CB-CE2 3.55Å; Y218-K231 CarbonylContact C-O 3.51Å; Y218-K231 VanDerWaalsContact CA-O 3.27Å; Y218-K231 WeakPolarHBondContact CA-O 3.28Å; Y218-L232 HydrophobicContact CD1-CB 4.27Å; Y218-L232 HydrophobicContact CE1-CB 3.83Å; Y218-L232 HydrophobicContact CE1-CD1 4.02Å; Y218-L232 HydrophobicContact CE2-CD1 4.11Å
219	T	98.2	Very high	95.4	Very high	41 Å²	41	41 Å²	41	25%	0.252	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	161.9	162.4	71.6	0	0	0	0	109.8	G230 K231 V233	T219-G230 WeakPolarHBondContact O-CA 3.45Å; T219-G230 WeakPolarHBondContact OG1-CA 3.27Å; T219-K231 HydrophobicContact CG2-CB 4.13Å; T219-K231 PolarHBondContact N-O 2.85Å; T219-K231 PolarHBondContact OG1-N 3.19Å; T219-V233 HydrophobicContact CG2-CG2 3.73Å
220	L	97.4	Very high	95.3	Very high	56 Å²	56	39.8 Å²	39.8	29%	0.293	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-59	150.5	171.3	-57.6	-179.6	0	0	0	111.1	L191 W208 F397	L191-L220 HydrophobicContact CD1-CD2 3.85Å; L191-L220 HydrophobicContact CD2-CD2 3.71Å; L191-L220 HydrophobicContact CG-CD2 4.31Å; W208-L220 HydrophobicContact CB-CD1 4.12Å; W208-L220 HydrophobicContact CB-CD2 4.05Å; W208-L220 HydrophobicContact CB-CG 4.41Å; W208-L220 WeakPolarHBondContact O-CG 3.25Å; L220-F397 HydrophobicContact CD1-CE1 4.43Å; L220-F397 HydrophobicContact CD1-CE2 4.01Å; L220-F397 HydrophobicContact CD1-CZ 3.47Å; L220-F397 VanDerWaalsContact CD1-CZ 3.47Å
221	R	95.6	Very high	95.2	Very high	22 Å²	22	47.6 Å²	47.6	8%	0.083	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-66.6	166	163.4	-41.8	-170.7	-165.5	169.7	2.8	109.7	T186 T187 E210 T223 A226	T186-R221 PolarHBondContact O-NH2 3.45Å; T187-R221 PolarHBondContact O-NH1 3.16Å; E210-R221 IonicContact OE1-CZ 3.73Å; E210-R221 VanDerWaalsContact OE1-CZ 3.29Å; E210-R221 IonicContact OE1-NE 2.73Å; E210-R221 PolarHBondContact OE1-NE 3.33Å; E210-R221 IonicContact OE1-NH2 2.65Å; E210-R221 PolarHBondContact OE1-NH2 3.27Å; E210-R221 WeakPolarHBondContact OE2-CG 3.33Å; E210-R221 IonicContact OE2-CZ 3.68Å; E210-R221 IonicContact OE2-NE 3.36Å; E210-R221 PolarHBondContact OE2-NE 3.14Å; E210-R221 IonicContact OE2-NH2 2.99Å; R221-T223 VanDerWaalsContact C-N 3.29Å; R221-T223 WeakPolarHBondContact CB-O 3.46Å; R221-T223 PolarHBondContact O-N 3.48Å; R221-A226 HydrophobicContact CB-CB 4.19Å; R221-A226 WeakPolarHBondContact CD-O 3.49Å; R221-A226 PolarHBondContact NH1-O 3.36Å
222	E	92.4	Very high	95	Very high	183 Å²	183	50.5 Å²	50.5	86%	0.855	27%	0.272	S	S	*	.	S	Bend	trans	-57.6	-43.1	175.6	-174.6	-179.9	-171.4	0	0	112.1
223	T	91.9	Very high	95	Very high	60 Å²	60	51.1 Å²	51.1	37%	0.368	28%	0.276	S	S	.	.	S	Bend	trans	-137.9	151	171.2	54.5	0	0	0	0	109.6	R221 S225 A226	R221-T223 VanDerWaalsContact C-N 3.29Å; R221-T223 WeakPolarHBondContact CB-O 3.46Å; R221-T223 PolarHBondContact O-N 3.48Å; T223-S225 PolarHBondContact O-N 3.21Å; T223-A226 WeakPolarHBondContact O-CB 3.36Å; T223-A226 PolarHBondContact O-N 3.46Å
224	R	89.6	Confident	94.8	Very high	33 Å²	33	59.1 Å²	59.1	13%	0.125	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	134.6	174.9	-157.3	74.1	178.9	-100.8	-1.2	109.4	N188 G189 L191 A226 D247 T394	N188-R224 WeakPolarHBondContact O-CD 3.47Å; N188-R224 PolarHBondContact O-NE 2.89Å; G189-R224 PolarHBondContact O-NH2 3.11Å; L191-R224 VanDerWaalsContact CD1-CZ 3.48Å; L191-R224 VanDerWaalsContact CG-CZ 3.49Å; R224-A226 VanDerWaalsContact C-N 3.27Å; R224-A226 PolarHBondContact O-N 3.05Å; R224-D247 IonicContact CZ-OD1 3.61Å; R224-D247 VanDerWaalsContact CZ-OD1 3.23Å; R224-D247 IonicContact NH1-OD1 3.53Å; R224-D247 PolarHBondContact NH1-OD1 2.89Å; R224-D247 IonicContact NH2-OD1 3.2Å; R224-D247 PolarHBondContact NH2-OD1 3.33Å; R224-T394 WeakPolarHBondContact CB-O 3.47Å; R224-T394 PolarHBondContact N-O 3.16Å
225	S	89.9	Confident	94.7	Very high	39 Å²	39	64 Å²	64	27%	0.273	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	6.2	-177	-42.2	0	0	0	0	117	T187 N188 T223	T187-S225 VanDerWaalsContact O-CA 3.3Å; T187-S225 WeakPolarHBondContact O-CA 3.36Å; N188-S225 PolarHBondContact OD1-OG 3.32Å; T223-S225 PolarHBondContact O-N 3.21Å
226	A	91.6	Very high	94.7	Very high	22 Å²	22	66.9 Å²	66.9	18%	0.182	35%	0.349	C	S	.	.			trans	-59.6	146.6	169.4	0	0	0	0	0	111.4	R221 T223 R224 T228	R221-A226 HydrophobicContact CB-CB 4.19Å; R221-A226 WeakPolarHBondContact CD-O 3.49Å; R221-A226 PolarHBondContact NH1-O 3.36Å; T223-A226 WeakPolarHBondContact O-CB 3.36Å; T223-A226 PolarHBondContact O-N 3.46Å; R224-A226 VanDerWaalsContact C-N 3.27Å; R224-A226 PolarHBondContact O-N 3.05Å; A226-T228 VanDerWaalsContact C-N 3.28Å; A226-T228 PolarHBondContact O-N 2.84Å
227	Q	88.4	Confident	94.6	Very high	94 Å²	94	67.3 Å²	67.3	44%	0.439	36%	0.355	S	S	.	.	S	Bend	trans	-77.6	-15.9	-177.2	-58.2	-55.9	-12.1	0	0	114	K171 A173	K171-Q227 PolarHBondContact O-OE1 2.93Å; A173-Q227 WeakPolarHBondContact CB-O 3.07Å
228	T	92.4	Very high	94.6	Very high	107 Å²	107	67.8 Å²	67.8	66%	0.656	36%	0.357	S	S	*	.	S	Bend	trans	-88.5	120.9	-179.9	-54.8	0	0	0	0	108.8	A226	A226-T228 VanDerWaalsContact C-N 3.28Å; A226-T228 PolarHBondContact O-N 2.84Å
229	P	93.7	Very high	94.7	Very high	47 Å²	47	68.9 Å²	68.9	31%	0.305	37%	0.366	S	S	.	.			trans	-66.7	158.5	176.7	29.7	-34.7	0	0	0	110.9	A173 W175 L185	A173-P229 HydrophobicContact CB-CB 4.46Å; W175-P229 HydrophobicContact CE3-CG 4.24Å; W175-P229 HydrophobicContact CH2-CB 4.11Å; W175-P229 HydrophobicContact CZ3-CB 3.78Å; W175-P229 HydrophobicContact CZ3-CG 3.96Å; L185-P229 HydrophobicContact CD1-CB 3.63Å
230	G	95.9	Very high	94.7	Very high	16 Å²	16	67.3 Å²	67.3	17%	0.165	36%	0.355	C	S	.	.			trans	-69.3	-172.1	166.9	0	0	0	0	0	112.7	T219	T219-G230 WeakPolarHBondContact O-CA 3.45Å; T219-G230 WeakPolarHBondContact OG1-CA 3.27Å
231	K	96.6	Very high	94.7	Very high	167 Å²	167	69.1 Å²	69.1	73%	0.726	36%	0.362	S	S	*	.			trans	-86.4	141.6	176.5	-62.1	-179.4	-179.1	179.6	0	110.3	Y218 T219	Y218-K231 CarbonylContact C-O 3.51Å; Y218-K231 VanDerWaalsContact CA-O 3.27Å; Y218-K231 WeakPolarHBondContact CA-O 3.28Å; T219-K231 HydrophobicContact CG2-CB 4.13Å; T219-K231 PolarHBondContact N-O 2.85Å; T219-K231 PolarHBondContact OG1-N 3.19Å
232	L	96.3	Very high	94.8	Very high	62 Å²	62	69.8 Å²	69.8	33%	0.325	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-60	139.7	172.7	-179.5	66.4	0	0	0	110.3	D216 Y218 E234	D216-L232 HydrophobicContact CB-CD1 4.12Å; Y218-L232 HydrophobicContact CD1-CB 4.27Å; Y218-L232 HydrophobicContact CE1-CB 3.83Å; Y218-L232 HydrophobicContact CE1-CD1 4.02Å; Y218-L232 HydrophobicContact CE2-CD1 4.11Å; L232-E234 HydrophobicContact CD2-CG 3.81Å; L232-E234 HydrophobicContact CG-CG 3.99Å
233	V	97.1	Very high	95.1	Very high	13 Å²	13	61.1 Å²	61.1	8%	0.079	33%	0.327	C	S	.	.			trans	-120.6	87.5	179.1	-173.6	0	0	0	0	108.6	V217 T219 N235 E236	V217-V233 HydrophobicContact CG1-CB 4.28Å; V217-V233 PolarHBondContact O-N 2.76Å; T219-V233 HydrophobicContact CG2-CG2 3.73Å; V233-N235 VanDerWaalsContact C-N 3.25Å; V233-N235 WeakPolarHBondContact CG1-OD1 3.26Å; V233-N235 PolarHBondContact O-N 3.18Å; V233-E236 HydrophobicContact CG1-CB 3.9Å; V233-E236 HydrophobicContact CG1-CG 3.76Å; V233-E236 PolarHBondContact O-N 3.42Å
234	E	94.1	Very high	95.4	Very high	168 Å²	168	58.2 Å²	58.2	79%	0.785	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-21	-171.1	-62.3	178	164.5	0	0	114.2	L232	L232-E234 HydrophobicContact CD2-CG 3.81Å; L232-E234 HydrophobicContact CG-CG 3.99Å
235	N	95.6	Very high	95.9	Very high	142 Å²	142	56.7 Å²	56.7	76%	0.759	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	2.3	-177.5	67.1	-38.6	0	0	0	113.9	V233	V233-N235 VanDerWaalsContact C-N 3.25Å; V233-N235 WeakPolarHBondContact CG1-OD1 3.26Å; V233-N235 PolarHBondContact O-N 3.18Å
236	E	97.2	Very high	96.3	Very high	69 Å²	69	54.9 Å²	54.9	32%	0.322	29%	0.291	S	S	.	.			trans	-116	160.7	174.8	-68.2	178.9	-150.8	0	0	109.8	R209 V217 V233	R209-E236 WeakPolarHBondContact CG-OE2 3.43Å; R209-E236 IonicContact CZ-OE1 2.67Å; R209-E236 IonicContact CZ-OE2 2.7Å; R209-E236 IonicContact NE-OE1 3.37Å; R209-E236 PolarHBondContact NE-OE1 3.01Å; R209-E236 IonicContact NE-OE2 2.85Å; R209-E236 PolarHBondContact NE-OE2 3.39Å; R209-E236 IonicContact NH2-OE1 3.52Å; R209-E236 PolarHBondContact NH2-OE1 3.02Å; R209-E236 IonicContact NH2-OE2 3.23Å; V217-E236 HydrophobicContact CB-CB 4.38Å; V217-E236 HydrophobicContact CG1-CB 4.03Å; V217-E236 HydrophobicContact CG2-CB 4.47Å; V233-E236 HydrophobicContact CG1-CB 3.9Å; V233-E236 HydrophobicContact CG1-CG 3.76Å; V233-E236 PolarHBondContact O-N 3.42Å
237	S	97.2	Very high	96.6	Very high	56 Å²	56	54.2 Å²	54.2	39%	0.392	28%	0.284	S	S	.	.			trans	-133.9	162.2	-177.6	74.7	0	0	0	0	111.2	V217 V239	V217-S237 VanDerWaalsContact CG2-C 3.47Å; S237-V239 PolarHBondContact O-N 2.93Å; S237-V239 PolarHBondContact OG-N 2.65Å
238	N	98.4	Very high	97.1	Very high	15 Å²	15	50 Å²	50	8%	0.08	27%	0.265	C	S	.	.			trans	-82.1	15.4	174.5	69	-22.2	0	0	0	114.2	R154 I155 I211 G215 L240	R154-N238 CarbonylContact C-O 3.52Å; R154-N238 VanDerWaalsContact CA-O 3.28Å; R154-N238 WeakPolarHBondContact CA-O 3.28Å; R154-N238 WeakPolarHBondContact CD-OD1 3.19Å; I155-N238 HydrophobicContact CG2-CB 4.4Å; I155-N238 PolarHBondContact N-O 3.35Å; I155-N238 WeakPolarHBondContact O-CB 3.32Å; I155-N238 PolarHBondContact O-ND2 3.25Å; I211-N238 HydrophobicContact CD1-CB 4.35Å; I211-N238 HydrophobicContact CG2-CB 4.31Å; G215-N238 VanDerWaalsContact O-CB 3.28Å; G215-N238 WeakPolarHBondContact O-CB 3.32Å; G215-N238 VanDerWaalsContact O-CG 3.28Å; G215-N238 PolarHBondContact O-ND2 2.92Å; N238-L240 PolarHBondContact O-N 3.38Å
239	V	98.8	Very high	97.2	Very high	35 Å²	35	46 Å²	46	21%	0.212	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-73.1	122.4	176.8	176.3	0	0	0	0	109.6	T152 A153 R154 H194 S237 Q241	T152-V239 HydrophobicContact CG2-CB 4.36Å; T152-V239 HydrophobicContact CG2-CG1 3.54Å; T152-V239 HydrophobicContact CG2-CG2 3.91Å; A153-V239 WeakPolarHBondContact O-CA 3.5Å; R154-V239 HydrophobicContact CG-CG2 3.85Å; H194-V239 PolarHBondContact CE1-O 2.99Å; H194-V239 VanDerWaalsContact CE1-O 3.23Å; S237-V239 PolarHBondContact O-N 2.93Å; S237-V239 PolarHBondContact OG-N 2.65Å; V239-Q241 PolarHBondContact O-N 3.34Å
240	L	98.8	Very high	97.2	Very high	7 Å²	7	45 Å²	45	4%	0.037	24%	0.239	C	C	.	.			trans	-76.1	113.7	176.2	-68.2	176.6	0	0	0	110.4	V143 A153 I155 V192 N238 V246 W255	V143-L240 HydrophobicContact CG1-CD1 4.09Å; V143-L240 HydrophobicContact CG2-CD1 4.12Å; A153-L240 HydrophobicContact CB-CB 4.4Å; A153-L240 PolarHBondContact O-N 3.25Å; I155-L240 HydrophobicContact CB-CD1 4.19Å; I155-L240 HydrophobicContact CB-CD2 4.18Å; I155-L240 HydrophobicContact CB-CG 4.14Å; I155-L240 HydrophobicContact CG2-CD2 3.91Å; I155-L240 HydrophobicContact CG2-CG 4.22Å; V192-L240 HydrophobicContact CG1-CD2 4.36Å; N238-L240 PolarHBondContact O-N 3.38Å; L240-V246 HydrophobicContact CD2-CG2 4.02Å; L240-W255 HydrophobicContact CB-CD2 4.25Å; L240-W255 HydrophobicContact CB-CG 3.91Å; L240-W255 HydrophobicContact CD1-CB 4.4Å; L240-W255 HydrophobicContact CD1-CD2 4.02Å; L240-W255 HydrophobicContact CD1-CE3 4.33Å; L240-W255 HydrophobicContact CD1-CG 4.06Å; L240-W255 HydrophobicContact CG-CG 4.47Å; L240-W255 PolarHBondContact O-NE1 3.47Å
241	Q	97.9	Very high	97.2	Very high	95 Å²	95	44.3 Å²	44.3	44%	0.444	23%	0.232	S	C	.	.			trans	-89.8	155.9	174.1	-58.7	172.8	12.2	0	0	110.7	V239 G243 S244 W255	V239-Q241 PolarHBondContact O-N 3.34Å; Q241-G243 PolarHBondContact O-N 3.01Å; Q241-S244 PolarHBondContact N-OG 3.47Å; Q241-S244 VanDerWaalsContact O-CB 3.3Å; Q241-S244 WeakPolarHBondContact O-CB 3.29Å; Q241-S244 PolarHBondContact O-N 3.23Å; Q241-S244 PolarHBondContact O-OG 3.2Å; Q241-W255 VanDerWaalsContact O-CD1 3.28Å
242	D	98.1	Very high	97.3	Very high	36 Å²	36	37.1 Å²	37.1	19%	0.193	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	125.8	175.6	-164.5	57.5	0	0	0	111.5	R256 T257	D242-R256 VanDerWaalsContact CG-NH1 3.27Å; D242-R256 WeakPolarHBondContact OD1-CA 3.45Å; D242-R256 IonicContact OD1-CZ 3.14Å; D242-R256 IonicContact OD1-NH1 3.35Å; D242-R256 PolarHBondContact OD1-NH1 3.31Å; D242-R256 IonicContact OD2-CZ 3.95Å; D242-R256 IonicContact OD2-NH1 2.68Å; D242-R256 PolarHBondContact OD2-NH1 3.36Å; D242-R256 IonicContact OD2-NH2 3.6Å; D242-T257 HydrophobicContact CB-CG2 3.81Å; D242-T257 WeakPolarHBondContact CB-OG1 3.32Å; D242-T257 VanDerWaalsContact CG-OG1 3.31Å; D242-T257 PolarHBondContact OD1-N 2.93Å; D242-T257 PolarHBondContact OD1-OG1 2.83Å
243	G	98.1	Very high	97.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	0.9	-175	0	0	0	0	0	116	P195 F199 Q241 L245 W255	P195-G243 VanDerWaalsContact CD-O 3.32Å; P195-G243 WeakPolarHBondContact CD-O 3.33Å; P195-G243 WeakPolarHBondContact CG-O 3.44Å; F199-G243 VanDerWaalsContact CD2-CA 3.41Å; Q241-G243 PolarHBondContact O-N 3.01Å; G243-L245 PolarHBondContact O-N 3.27Å; G243-W255 WeakPolarHBondContact CA-O 3.31Å; G243-W255 PolarHBondContact N-O 3.3Å
244	S	98.7	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.			trans	-58.7	133.2	177.7	-59.1	0	0	0	0	110.9	M193 H194 Q241 W255	M193-S244 WeakPolarHBondContact O-CA 3.24Å; H194-S244 PolarHBondContact CE1-OG 2.73Å; H194-S244 VanDerWaalsContact CE1-OG 3.32Å; H194-S244 PolarHBondContact ND1-OG 2.87Å; Q241-S244 PolarHBondContact N-OG 3.47Å; Q241-S244 VanDerWaalsContact O-CB 3.3Å; Q241-S244 WeakPolarHBondContact O-CB 3.29Å; Q241-S244 PolarHBondContact O-N 3.23Å; Q241-S244 PolarHBondContact O-OG 3.2Å; S244-W255 PolarHBondContact O-N 2.47Å
245	L	98.8	Very high	97.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137.7	173.4	-63.8	178	0	0	0	109.9	L25 V192 M193 W208 G243 T252 L253 L254 W385 I388 L390	L25-L245 HydrophobicContact CD1-CD2 3.92Å; V192-L245 CarbonylContact C-O 3.58Å; V192-L245 VanDerWaalsContact CA-O 3.22Å; V192-L245 WeakPolarHBondContact CA-O 3.4Å; M193-L245 HydrophobicContact CB-CB 4.5Å; M193-L245 HydrophobicContact CE-CD1 3.71Å; M193-L245 HydrophobicContact CE-CG 4.16Å; M193-L245 PolarHBondContact N-O 2.69Å; M193-L245 PolarHBondContact O-N 3Å; M193-L245 HydrophobicContact SD-CD1 4.43Å; W208-L245 HydrophobicContact CH2-CB 3.49Å; W208-L245 VanDerWaalsContact CH2-CB 3.49Å; W208-L245 HydrophobicContact CH2-CD1 4.4Å; W208-L245 HydrophobicContact CZ2-CB 3.97Å; W208-L245 HydrophobicContact CZ2-CD1 4.07Å; W208-L245 HydrophobicContact CZ3-CB 4.29Å; G243-L245 PolarHBondContact O-N 3.27Å; L245-T252 HydrophobicContact CB-CG2 4.39Å; L245-L253 CarbonylContact C-O 3.57Å; L245-L253 WeakPolarHBondContact CA-O 3.42Å; L245-L254 HydrophobicContact CD2-CB 4.28Å; L245-L254 HydrophobicContact CD2-CD1 3.79Å; L245-W385 HydrophobicContact CD2-CH2 4.11Å; L245-W385 HydrophobicContact CD2-CZ3 4.25Å; L245-I388 HydrophobicContact CD1-CG2 3.52Å; L245-L390 HydrophobicContact CD1-CD2 3.51Å
246	V	98.8	Very high	97.8	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116.7	179.7	-179.5	0	0	0	0	108.8	I155 V190 L191 V192 L240 L248 T252 L253	I155-V246 HydrophobicContact CD1-CB 4.2Å; I155-V246 HydrophobicContact CD1-CG1 3.4Å; I155-V246 HydrophobicContact CD1-CG2 3.68Å; V190-V246 HydrophobicContact CG1-CG1 4.03Å; L191-V246 CarbonylContact O-C 3.6Å; L191-V246 WeakPolarHBondContact O-CA 3.39Å; V192-V246 HydrophobicContact CG2-CG2 4.31Å; L240-V246 HydrophobicContact CD2-CG2 4.02Å; V246-L248 HydrophobicContact CG1-CD2 3.82Å; V246-L248 HydrophobicContact CG1-CG 4.39Å; V246-T252 CarbonylContact O-C 3Å; V246-T252 WeakPolarHBondContact O-CA 3.26Å; V246-L253 HydrophobicContact CB-CB 4.32Å; V246-L253 PolarHBondContact N-O 3.27Å; V246-L253 PolarHBondContact O-N 3.23Å
247	D	98.5	Very high	97.9	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.043	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.7	176.4	-177.3	-89.2	0	0	0	111.5	L191 W208 R224 C249 T252 P391	L191-D247 HydrophobicContact CB-CB 4.18Å; L191-D247 PolarHBondContact N-O 3.46Å; L191-D247 PolarHBondContact O-N 2.91Å; W208-D247 HydrophobicContact CH2-CB 4.11Å; W208-D247 HydrophobicContact CZ3-CB 3.86Å; R224-D247 IonicContact CZ-OD1 3.61Å; R224-D247 VanDerWaalsContact CZ-OD1 3.23Å; R224-D247 IonicContact NH1-OD1 3.53Å; R224-D247 PolarHBondContact NH1-OD1 2.89Å; R224-D247 IonicContact NH2-OD1 3.2Å; R224-D247 PolarHBondContact NH2-OD1 3.33Å; D247-C249 WeakPolarHBondContact OD1-CA 3.47Å; D247-C249 PolarHBondContact OD1-N 3.36Å; D247-T252 PolarHBondContact OD2-OG1 3Å; D247-P391 HydrophobicContact CB-CG 3.8Å
248	L	98	Very high	97.8	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.026	10%	0.102	C	C	.	.			trans	-103.7	21	-178.4	-58.1	-175.3	0	0	0	113	I104 I136 A140 C141 V190 V246 A251 L253	I104-L248 HydrophobicContact CG2-CD1 3.73Å; I136-L248 HydrophobicContact CG2-CB 4.36Å; A140-L248 HydrophobicContact CB-CD1 4.21Å; A140-L248 HydrophobicContact CB-CD2 4.17Å; C141-L248 HydrophobicContact CB-CD2 4.24Å; V190-L248 HydrophobicContact CG1-CD2 4.03Å; V190-L248 HydrophobicContact CG2-CD2 4.19Å; V246-L248 HydrophobicContact CG1-CD2 3.82Å; V246-L248 HydrophobicContact CG1-CG 4.39Å; L248-A251 PolarHBondContact N-O 3.3Å; L248-L253 HydrophobicContact CD1-CD1 3.78Å; L248-L253 HydrophobicContact CD1-CG 4.36Å; L248-L253 HydrophobicContact CG-CD1 4.44Å
249	C	95.1	Very high	97.7	Very high	22 Å²	22	23 Å²	23	15%	0.149	13%	0.131	C	C	.	.	S	Bend	trans	56.9	71.6	-176.8	-168.2	0	0	0	0	110.9	T135 I136 N188 D247	T135-C249 CarbonylContact C-O 3.55Å; T135-C249 WeakPolarHBondContact CB-O 3.24Å; T135-C249 PolarHBondContact OG1-O 2.82Å; I136-C249 WeakPolarHBondContact CG1-O 3.45Å; I136-C249 PolarHBondContact N-O 2.78Å; N188-C249 HydrophobicContact CB-CB 3.97Å; D247-C249 WeakPolarHBondContact OD1-CA 3.47Å; D247-C249 PolarHBondContact OD1-N 3.36Å
250	G	93.7	Very high	97.4	Very high	27 Å²	27	21.7 Å²	21.7	28%	0.278	12%	0.124	S	C	.	.	S	Bend	trans	135.3	-23.6	179.9	0	0	0	0	0	113	D118 T119	D118-G250 CarbonylContact C-O 3.54Å; D118-G250 WeakPolarHBondContact CA-O 3.3Å; T119-G250 PolarHBondContact N-O 3.14Å
251	A	95.8	Very high	97.2	Very high	1 Å²	1	23 Å²	23	1%	0.008	13%	0.131	C	C	.	.			trans	-143.7	144.3	169.3	0	0	0	0	0	110	V116 I136 L248	V116-A251 HydrophobicContact CG1-CB 3.5Å; I136-A251 HydrophobicContact CD1-CB 3.73Å; L248-A251 PolarHBondContact N-O 3.3Å
252	T	98.1	Very high	96.9	Very high	16 Å²	16	26.8 Å²	26.8	10%	0.098	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.5	172.6	-44.8	0	0	0	0	109.3	L25 W208 L245 V246 D247 L390	L25-T252 WeakPolarHBondContact CB-O 3.5Å; L25-T252 HydrophobicContact CD1-CG2 3.6Å; L25-T252 PolarHBondContact N-O 3.36Å; W208-T252 HydrophobicContact CH2-CG2 4.15Å; L245-T252 HydrophobicContact CB-CG2 4.39Å; V246-T252 CarbonylContact O-C 3Å; V246-T252 WeakPolarHBondContact O-CA 3.26Å; D247-T252 PolarHBondContact OD2-OG1 3Å; T252-L390 HydrophobicContact CG2-CD2 4.39Å
253	L	98.6	Very high	96.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	143.8	178.2	-49.9	-179.9	0	0	0	109.7	L22 V23 V24 I104 F114 V116 L245 V246 L248	L22-L253 HydrophobicContact CD1-CD1 4.41Å; L22-L253 HydrophobicContact CD2-CB 4.37Å; L22-L253 HydrophobicContact CD2-CD1 4.45Å; V23-L253 CarbonylContact O-C 3.46Å; V23-L253 WeakPolarHBondContact O-CA 3.45Å; V24-L253 HydrophobicContact CB-CD2 4.13Å; V24-L253 HydrophobicContact CG1-CD2 4.15Å; V24-L253 HydrophobicContact CG2-CD2 3.74Å; I104-L253 HydrophobicContact CG2-CD1 4.07Å; F114-L253 HydrophobicContact CE1-CD1 4.47Å; F114-L253 HydrophobicContact CE1-CD2 4.3Å; V116-L253 HydrophobicContact CG1-CD2 4.34Å; V116-L253 HydrophobicContact CG2-CD2 4.23Å; L245-L253 CarbonylContact C-O 3.57Å; L245-L253 WeakPolarHBondContact CA-O 3.42Å; V246-L253 HydrophobicContact CB-CB 4.32Å; V246-L253 PolarHBondContact N-O 3.27Å; V246-L253 PolarHBondContact O-N 3.23Å; L248-L253 HydrophobicContact CD1-CD1 3.78Å; L248-L253 HydrophobicContact CD1-CG 4.36Å; L248-L253 HydrophobicContact CG-CD1 4.44Å
254	L	98.8	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.2	166.6	177.2	64.3	0	0	0	109.1	L22 V23 F199 L245 R256 A358 F359 W385	L22-L254 CarbonylContact C-O 3.55Å; L22-L254 WeakPolarHBondContact CA-O 3.41Å; V23-L254 HydrophobicContact CB-CB 4.46Å; V23-L254 PolarHBondContact N-O 3.34Å; V23-L254 PolarHBondContact O-N 3.48Å; F199-L254 HydrophobicContact CD2-CD1 4.3Å; F199-L254 HydrophobicContact CE2-CD1 3.85Å; F199-L254 HydrophobicContact CE2-CD2 4.09Å; F199-L254 HydrophobicContact CZ-CD2 4.02Å; L245-L254 HydrophobicContact CD2-CB 4.28Å; L245-L254 HydrophobicContact CD2-CD1 3.79Å; L254-R256 HydrophobicContact CD2-CG 4.16Å; L254-R256 HydrophobicContact CG-CG 4.15Å; L254-A358 VanDerWaalsContact CD2-O 3.3Å; L254-A358 WeakPolarHBondContact CD2-O 3.27Å; L254-F359 HydrophobicContact CB-CE1 4.36Å; L254-F359 HydrophobicContact CD2-CD1 3.6Å; L254-F359 HydrophobicContact CD2-CE1 3.94Å; L254-W385 HydrophobicContact CD1-CH2 4.46Å; L254-W385 HydrophobicContact CD2-CH2 4.33Å; L254-W385 HydrophobicContact CD2-CZ2 4.2Å
255	W	98.8	Very high	95.9	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.9	166.1	171.2	-103.1	0	0	0	110.1	G20 L22 L45 A153 L240 Q241 G243 S244	G20-W255 VanDerWaalsContact CA-CH2 3.49Å; L22-W255 HydrophobicContact CD2-CB 4.19Å; L22-W255 HydrophobicContact CD2-CE3 3.9Å; L22-W255 HydrophobicContact CG-CE3 4.08Å; L45-W255 HydrophobicContact CD1-CZ3 4.08Å; L45-W255 HydrophobicContact CD2-CH2 4.34Å; L45-W255 HydrophobicContact CD2-CZ3 3.93Å; L45-W255 HydrophobicContact CG-CZ3 4.43Å; A153-W255 HydrophobicContact CB-CH2 3.92Å; A153-W255 HydrophobicContact CB-CZ2 3.52Å; L240-W255 HydrophobicContact CB-CD2 4.25Å; L240-W255 HydrophobicContact CB-CG 3.91Å; L240-W255 HydrophobicContact CD1-CB 4.4Å; L240-W255 HydrophobicContact CD1-CD2 4.02Å; L240-W255 HydrophobicContact CD1-CE3 4.33Å; L240-W255 HydrophobicContact CD1-CG 4.06Å; L240-W255 HydrophobicContact CG-CG 4.47Å; L240-W255 PolarHBondContact O-NE1 3.47Å; Q241-W255 VanDerWaalsContact O-CD1 3.28Å; G243-W255 WeakPolarHBondContact CA-O 3.31Å; G243-W255 PolarHBondContact N-O 3.3Å; S244-W255 PolarHBondContact O-N 2.47Å
256	R	98.4	Very high	95.7	Very high	8 Å²	8	36.5 Å²	36.5	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.3	168.9	-57.4	-71.1	-67.7	147.8	4.1	108.8	G20 E21 D242 L254 G260 L261 T264 A358	G20-R256 CarbonylContact C-O 3.55Å; G20-R256 WeakPolarHBondContact CA-O 3.15Å; E21-R256 PolarHBondContact N-O 2.91Å; E21-R256 PolarHBondContact O-N 3.19Å; D242-R256 VanDerWaalsContact CG-NH1 3.27Å; D242-R256 WeakPolarHBondContact OD1-CA 3.45Å; D242-R256 IonicContact OD1-CZ 3.14Å; D242-R256 IonicContact OD1-NH1 3.35Å; D242-R256 PolarHBondContact OD1-NH1 3.31Å; D242-R256 IonicContact OD2-CZ 3.95Å; D242-R256 IonicContact OD2-NH1 2.68Å; D242-R256 PolarHBondContact OD2-NH1 3.36Å; D242-R256 IonicContact OD2-NH2 3.6Å; L254-R256 HydrophobicContact CD2-CG 4.16Å; L254-R256 HydrophobicContact CG-CG 4.15Å; R256-G260 PolarHBondContact NH2-O 2.78Å; R256-L261 HydrophobicContact CB-CD1 4.07Å; R256-L261 HydrophobicContact CB-CD2 3.49Å; R256-L261 VanDerWaalsContact CB-CD2 3.49Å; R256-L261 HydrophobicContact CB-CG 3.55Å; R256-L261 HydrophobicContact CG-CD2 3.82Å; R256-L261 HydrophobicContact CG-CG 4.42Å; R256-T264 PolarHBondContact NH2-OG1 2.85Å; R256-A358 HydrophobicContact CG-CB 4.05Å
257	T	98.2	Very high	95.5	Very high	32 Å²	32	40 Å²	40	20%	0.196	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	159	170.9	59.1	0	0	0	0	110.2	D242 E259 G260 L261	D242-T257 HydrophobicContact CB-CG2 3.81Å; D242-T257 WeakPolarHBondContact CB-OG1 3.32Å; D242-T257 VanDerWaalsContact CG-OG1 3.31Å; D242-T257 PolarHBondContact OD1-N 2.93Å; D242-T257 PolarHBondContact OD1-OG1 2.83Å; T257-E259 PolarHBondContact O-N 3.2Å; T257-G260 PolarHBondContact O-N 3.03Å; T257-G260 PolarHBondContact OG1-N 2.9Å; T257-L261 WeakPolarHBondContact O-CG 3.46Å; T257-L261 PolarHBondContact O-N 2.83Å
258	A	96.2	Very high	95.3	Very high	39 Å²	39	48.2 Å²	48.2	32%	0.322	25%	0.25	S	C	.	.	H	α-helix	trans	-58.7	-38.2	174.4	0	0	0	0	0	112.5	K18 Y19 F262	K18-A258 HydrophobicContact CB-CB 4.46Å; K18-A258 HydrophobicContact CG-CB 4.4Å; K18-A258 VanDerWaalsContact O-CB 3.28Å; K18-A258 WeakPolarHBondContact O-CB 3.17Å; Y19-A258 PolarHBondContact O-N 3.07Å; A258-F262 PolarHBondContact O-N 2.91Å
259	E	94.7	Very high	95.2	Very high	148 Å²	148	50.8 Å²	50.8	69%	0.692	26%	0.262	S	S	*	.	H	α-helix	trans	-65.3	-48.6	174.8	-176.3	176.4	-172.7	0	0	111.8	T257 L261 F262 H263	T257-E259 PolarHBondContact O-N 3.2Å; E259-L261 VanDerWaalsContact C-N 3.29Å; E259-L261 PolarHBondContact O-N 2.72Å; E259-F262 VanDerWaalsContact O-CB 3.28Å; E259-F262 WeakPolarHBondContact O-CB 3.43Å; E259-F262 PolarHBondContact O-N 3.47Å; E259-H263 PolarHBondContact O-CD2 2.84Å
260	G	94.5	Very high	95.2	Very high	7 Å²	7	50.1 Å²	50.1	7%	0.072	26%	0.256	C	S	.	.	H	α-helix	trans	-58.7	-40.3	177.2	0	0	0	0	0	112.8	R256 T257 F262 H263 T264	R256-G260 PolarHBondContact NH2-O 2.78Å; T257-G260 PolarHBondContact O-N 3.03Å; T257-G260 PolarHBondContact OG1-N 2.9Å; G260-F262 VanDerWaalsContact C-N 3.26Å; G260-F262 PolarHBondContact O-N 3.35Å; G260-H263 PolarHBondContact O-N 2.96Å; G260-T264 PolarHBondContact O-N 2.88Å; G260-T264 PolarHBondContact O-OG1 2.98Å
261	L	93.8	Very high	95.2	Very high	35 Å²	35	50.8 Å²	50.8	18%	0.183	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-27.7	175.9	-70.4	168.9	0	0	0	113.4	E21 R256 T257 E259 H263 T264	E21-L261 HydrophobicContact CB-CD1 3.57Å; R256-L261 HydrophobicContact CB-CD1 4.07Å; R256-L261 HydrophobicContact CB-CD2 3.49Å; R256-L261 VanDerWaalsContact CB-CD2 3.49Å; R256-L261 HydrophobicContact CB-CG 3.55Å; R256-L261 HydrophobicContact CG-CD2 3.82Å; R256-L261 HydrophobicContact CG-CG 4.42Å; T257-L261 WeakPolarHBondContact O-CG 3.46Å; T257-L261 PolarHBondContact O-N 2.83Å; E259-L261 VanDerWaalsContact C-N 3.29Å; E259-L261 PolarHBondContact O-N 2.72Å; L261-H263 VanDerWaalsContact C-N 3.26Å; L261-H263 PolarHBondContact O-N 2.83Å; L261-T264 PolarHBondContact O-N 2.8Å
262	F	91.4	Very high	95.2	Very high	173 Å²	173	53 Å²	53	76%	0.759	27%	0.271	S	S	*	.	H	α-helix	trans	-67.2	-30.7	177.7	-176.5	-98.1	0	0	0	111.9	A258 E259 G260	A258-F262 PolarHBondContact O-N 2.91Å; E259-F262 VanDerWaalsContact O-CB 3.28Å; E259-F262 WeakPolarHBondContact O-CB 3.43Å; E259-F262 PolarHBondContact O-N 3.47Å; G260-F262 VanDerWaalsContact C-N 3.26Å; G260-F262 PolarHBondContact O-N 3.35Å
263	H	88.9	Confident	95.1	Very high	132 Å²	132	53.1 Å²	53.1	61%	0.611	27%	0.271	S	S	*	.	H	α-helix	trans	-92.1	-5.5	178.8	-64.4	-64.9	0	0	0	114.2	E259 G260 L261	E259-H263 PolarHBondContact O-CD2 2.84Å; G260-H263 PolarHBondContact O-N 2.96Å; L261-H263 VanDerWaalsContact C-N 3.26Å; L261-H263 PolarHBondContact O-N 2.83Å
264	T	91.2	Very high	95	Very high	15 Å²	15	54.5 Å²	54.5	9%	0.092	28%	0.276	C	S	.	.	S	Bend	trans	-77.9	148	177.4	-63.8	0	0	0	0	110.8	R256 G260 L261 P357	R256-T264 PolarHBondContact NH2-OG1 2.85Å; G260-T264 PolarHBondContact O-N 2.88Å; G260-T264 PolarHBondContact O-OG1 2.98Å; L261-T264 PolarHBondContact O-N 2.8Å; T264-P357 HydrophobicContact CG2-CB 3.99Å; T264-P357 WeakPolarHBondContact CG2-O 3.15Å
265	P	94.2	Very high	94.8	Very high	9 Å²	9	59.5 Å²	59.5	6%	0.058	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-53.7	152.4	171.2	21	-33.6	0	0	0	112.2	H269 L270 P357 Y360 D362 T363	P265-H269 HydrophobicContact CB-CB 4.36Å; P265-L270 HydrophobicContact CB-CD2 4.14Å; P265-L270 HydrophobicContact CG-CD2 4.31Å; P265-P357 HydrophobicContact CG-CB 4.31Å; P265-P357 WeakPolarHBondContact O-CB 3.36Å; P265-Y360 VanDerWaalsContact CG-CB 3.47Å; P265-Y360 HydrophobicContact CG-CD1 4.31Å; P265-Y360 HydrophobicContact CG-CD2 4.23Å; P265-Y360 HydrophobicContact CG-CG 3.77Å; P265-D362 WeakPolarHBondContact CD-O 3.15Å; P265-T363 HydrophobicContact CB-CG2 4.18Å
266	T	94.8	Very high	94.7	Very high	84 Å²	84	65.7 Å²	65.7	52%	0.515	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-92.6	162.3	172.8	68.4	0	0	0	0	110.8	K268 H269 L270	T266-K268 PolarHBondContact O-N 3.18Å; T266-K268 PolarHBondContact OG1-N 3.17Å; T266-H269 WeakPolarHBondContact O-CB 3.39Å; T266-H269 PolarHBondContact O-N 2.82Å; T266-H269 PolarHBondContact OG1-N 3.18Å; T266-H269 VanDerWaalsContact OG1-N 3.15Å; T266-L270 PolarHBondContact O-N 2.68Å; T266-L270 VanDerWaalsContact O-N 3.07Å
267	Q	93.3	Very high	94.5	Very high	75 Å²	75	66.7 Å²	66.7	35%	0.35	33%	0.334	S	S	.	.	H	α-helix	trans	-55.6	-36.3	171.1	-74.8	-67.6	-2.6	0	0	112.8	H269 L270 E271 C355 P357	Q267-H269 VanDerWaalsContact C-N 3.34Å; Q267-L270 PolarHBondContact O-N 3.02Å; Q267-E271 WeakPolarHBondContact O-CB 3.39Å; Q267-E271 PolarHBondContact O-N 2.59Å; Q267-E271 VanDerWaalsContact O-N 3.09Å; Q267-C355 PolarHBondContact NE2-O 2.89Å; Q267-C355 PolarHBondContact OE1-O 2.86Å; Q267-P357 HydrophobicContact CG-CG 3.95Å; Q267-P357 VanDerWaalsContact NE2-CD 3.3Å
268	K	94.6	Very high	94.3	Very high	181 Å²	181	66.8 Å²	66.8	79%	0.787	33%	0.333	S	S	*	.	H	α-helix	trans	-66.4	-37.3	175.8	-67.5	-177.6	179.4	179.1	0	111.9	T266 E271 A272	T266-K268 PolarHBondContact O-N 3.18Å; T266-K268 PolarHBondContact OG1-N 3.17Å; K268-E271 PolarHBondContact O-N 2.98Å; K268-A272 PolarHBondContact O-N 3.42Å
269	H	95.4	Very high	94.2	Very high	60 Å²	60	68.6 Å²	68.6	28%	0.278	35%	0.348	S	S	.	.	H	α-helix	trans	-63.9	-47.9	175.7	-176.8	71.9	0	0	0	111.6	P265 T266 Q267 E271 A272 L273 T363	P265-H269 HydrophobicContact CB-CB 4.36Å; T266-H269 WeakPolarHBondContact O-CB 3.39Å; T266-H269 PolarHBondContact O-N 2.82Å; T266-H269 PolarHBondContact OG1-N 3.18Å; T266-H269 VanDerWaalsContact OG1-N 3.15Å; Q267-H269 VanDerWaalsContact C-N 3.34Å; H269-E271 PolarHBondContact O-N 2.8Å; H269-A272 WeakPolarHBondContact O-CB 3.17Å; H269-A272 PolarHBondContact O-N 3.34Å; H269-A272 VanDerWaalsContact O-N 3.13Å; H269-L273 WeakPolarHBondContact NE2-CD1 3.33Å; H269-L273 PolarHBondContact O-N 3.43Å; H269-T363 PolarHBondContact NE2-O 3.13Å
270	L	95.4	Very high	94.2	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-60.3	-37.3	176.8	-61.5	-175.2	0	0	0	111.9	P265 T266 Q267 L273 R274 M296 P357 Y360	P265-L270 HydrophobicContact CB-CD2 4.14Å; P265-L270 HydrophobicContact CG-CD2 4.31Å; T266-L270 PolarHBondContact O-N 2.68Å; T266-L270 VanDerWaalsContact O-N 3.07Å; Q267-L270 PolarHBondContact O-N 3.02Å; L270-L273 PolarHBondContact O-N 3.46Å; L270-R274 PolarHBondContact O-N 2.91Å; L270-M296 VanDerWaalsContact C-CE 3.45Å; L270-M296 HydrophobicContact CB-CE 3.83Å; L270-M296 HydrophobicContact CB-SD 4.23Å; L270-P357 HydrophobicContact CD1-CB 4.14Å; L270-P357 HydrophobicContact CD1-CG 3.84Å; L270-Y360 HydrophobicContact CD1-CE2 3.87Å; L270-Y360 HydrophobicContact CD2-CD1 4.44Å; L270-Y360 HydrophobicContact CD2-CD2 4.41Å; L270-Y360 HydrophobicContact CD2-CE1 3.94Å; L270-Y360 HydrophobicContact CD2-CE2 3.9Å
271	E	94.9	Very high	94.2	Very high	41 Å²	41	71.4 Å²	71.4	19%	0.192	37%	0.365	C	S	.	.	H	α-helix	trans	-69.2	-37.2	176.1	178.7	54.4	-155	0	0	112.4	Q267 K268 H269 R274 Q275 M296	Q267-E271 WeakPolarHBondContact O-CB 3.39Å; Q267-E271 PolarHBondContact O-N 2.59Å; Q267-E271 VanDerWaalsContact O-N 3.09Å; K268-E271 PolarHBondContact O-N 2.98Å; H269-E271 PolarHBondContact O-N 2.8Å; E271-R274 VanDerWaalsContact CD-NE 3.35Å; E271-R274 WeakPolarHBondContact O-CB 3.48Å; E271-R274 PolarHBondContact O-N 3.4Å; E271-R274 IonicContact OE1-CZ 3.32Å; E271-R274 IonicContact OE1-NE 3.16Å; E271-R274 PolarHBondContact OE1-NE 2.71Å; E271-R274 VanDerWaalsContact OE1-NE 3.16Å; E271-R274 IonicContact OE1-NH2 2.66Å; E271-R274 PolarHBondContact OE1-NH2 2.5Å; E271-R274 IonicContact OE2-CZ 3.75Å; E271-R274 IonicContact OE2-NE 2.85Å; E271-R274 PolarHBondContact OE2-NE 3.37Å; E271-R274 IonicContact OE2-NH2 3.82Å; E271-Q275 VanDerWaalsContact O-CG 3.3Å; E271-Q275 WeakPolarHBondContact O-CG 3.13Å; E271-Q275 PolarHBondContact O-N 3.18Å; E271-Q275 PolarHBondContact OE1-NE2 2.87Å; E271-M296 HydrophobicContact CB-CE 3.6Å; E271-M296 WeakPolarHBondContact OE2-CE 3.31Å
272	A	95.9	Very high	94.2	Very high	49 Å²	49	70 Å²	70	41%	0.405	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-45.5	173.1	0	0	0	0	0	111.6	K268 H269 R274 Q275 E276	K268-A272 PolarHBondContact O-N 3.42Å; H269-A272 WeakPolarHBondContact O-CB 3.17Å; H269-A272 PolarHBondContact O-N 3.34Å; H269-A272 VanDerWaalsContact O-N 3.13Å; A272-R274 VanDerWaalsContact C-N 3.31Å; A272-R274 PolarHBondContact O-N 2.83Å; A272-Q275 WeakPolarHBondContact O-CB 3.5Å; A272-Q275 PolarHBondContact O-N 3.11Å; A272-Q275 VanDerWaalsContact O-N 3.11Å; A272-E276 PolarHBondContact O-N 3.2Å
273	L	96.1	Very high	94.3	Very high	18 Å²	18	63.4 Å²	63.4	9%	0.094	33%	0.329	C	S	.	.	H	α-helix	trans	-59.6	-40.5	175.6	-69.8	175.1	0	0	0	111.9	H269 L270 E276 I277 P366	H269-L273 WeakPolarHBondContact NE2-CD1 3.33Å; H269-L273 PolarHBondContact O-N 3.43Å; L270-L273 PolarHBondContact O-N 3.46Å; L273-E276 PolarHBondContact O-N 3.15Å; L273-I277 WeakPolarHBondContact O-CG1 3.34Å; L273-I277 PolarHBondContact O-N 3.34Å; L273-I277 VanDerWaalsContact O-N 3.15Å; L273-P366 HydrophobicContact CB-CG 4.48Å
274	R	95.1	Very high	94.5	Very high	30 Å²	30	57.3 Å²	57.3	11%	0.113	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-46.3	173.3	-177	-170.2	78.8	77.1	8.8	111.8	L270 E271 A272 E276 I277 N278 F293 P294 L353	L270-R274 PolarHBondContact O-N 2.91Å; E271-R274 VanDerWaalsContact CD-NE 3.35Å; E271-R274 WeakPolarHBondContact O-CB 3.48Å; E271-R274 PolarHBondContact O-N 3.4Å; E271-R274 IonicContact OE1-CZ 3.32Å; E271-R274 IonicContact OE1-NE 3.16Å; E271-R274 PolarHBondContact OE1-NE 2.71Å; E271-R274 VanDerWaalsContact OE1-NE 3.16Å; E271-R274 IonicContact OE1-NH2 2.66Å; E271-R274 PolarHBondContact OE1-NH2 2.5Å; E271-R274 IonicContact OE2-CZ 3.75Å; E271-R274 IonicContact OE2-NE 2.85Å; E271-R274 PolarHBondContact OE2-NE 3.37Å; E271-R274 IonicContact OE2-NH2 3.82Å; A272-R274 VanDerWaalsContact C-N 3.31Å; A272-R274 PolarHBondContact O-N 2.83Å; R274-E276 VanDerWaalsContact C-N 3.31Å; R274-E276 PolarHBondContact O-N 2.68Å; R274-I277 PolarHBondContact O-N 3.09Å; R274-N278 PolarHBondContact NH1-ND2 3.18Å; R274-N278 PolarHBondContact O-N 3.26Å; R274-N278 VanDerWaalsContact O-N 3.12Å; R274-F293 HydrophobicContact CG-CB 3.91Å; R274-F293 PolarHBondContact NH1-O 2.76Å; R274-P294 VanDerWaalsContact CD-O 3.28Å; R274-P294 WeakPolarHBondContact CD-O 3.13Å; R274-L353 HydrophobicContact CB-CD1 3.61Å; R274-L353 HydrophobicContact CG-CD1 3.45Å; R274-L353 VanDerWaalsContact CG-CD1 3.45Å
275	Q	95.4	Very high	94.4	Very high	105 Å²	105	58.5 Å²	58.5	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-63.7	-38.6	180	-72.2	173.8	11.1	0	0	111.5	E271 A272 N278 A279	E271-Q275 VanDerWaalsContact O-CG 3.3Å; E271-Q275 WeakPolarHBondContact O-CG 3.13Å; E271-Q275 PolarHBondContact O-N 3.18Å; E271-Q275 PolarHBondContact OE1-NE2 2.87Å; A272-Q275 WeakPolarHBondContact O-CB 3.5Å; A272-Q275 PolarHBondContact O-N 3.11Å; A272-Q275 VanDerWaalsContact O-N 3.11Å; Q275-N278 PolarHBondContact O-N 2.92Å; Q275-A279 VanDerWaalsContact O-CB 3.28Å; Q275-A279 WeakPolarHBondContact O-CB 3.17Å; Q275-A279 PolarHBondContact O-N 2.97Å
276	E	95.8	Very high	94	Very high	131 Å²	131	61.3 Å²	61.3	61%	0.612	33%	0.326	S	S	*	.	H	α-helix	trans	-60.4	-47.8	175.5	-171.9	179.7	172.9	0	0	112	A272 L273 R274 N278 A279 A280	A272-E276 PolarHBondContact O-N 3.2Å; L273-E276 PolarHBondContact O-N 3.15Å; R274-E276 VanDerWaalsContact C-N 3.31Å; R274-E276 PolarHBondContact O-N 2.68Å; E276-N278 VanDerWaalsContact C-N 3.32Å; E276-N278 PolarHBondContact O-N 2.85Å; E276-A279 PolarHBondContact O-N 2.64Å; E276-A280 PolarHBondContact O-N 3.33Å
277	I	94.4	Very high	93.4	Very high	29 Å²	29	59.5 Å²	59.5	15%	0.149	32%	0.324	C	S	.	.	H	α-helix	trans	-58.3	-46.1	175.4	-61.3	162.7	0	0	0	111	L273 R274 A279 A280 P282 F293 L353 P366	L273-I277 WeakPolarHBondContact O-CG1 3.34Å; L273-I277 PolarHBondContact O-N 3.34Å; L273-I277 VanDerWaalsContact O-N 3.15Å; R274-I277 PolarHBondContact O-N 3.09Å; I277-A279 VanDerWaalsContact C-N 3.31Å; I277-A279 PolarHBondContact O-N 3.14Å; I277-A280 WeakPolarHBondContact O-CB 3.29Å; I277-A280 PolarHBondContact O-N 2.8Å; I277-P282 VanDerWaalsContact O-CD 3.28Å; I277-P282 WeakPolarHBondContact O-CD 3.49Å; I277-F293 HydrophobicContact CD1-CD2 4.18Å; I277-F293 HydrophobicContact CD1-CE2 4.13Å; I277-F293 HydrophobicContact CG2-CD2 3.87Å; I277-F293 HydrophobicContact CG2-CE2 3.92Å; I277-L353 HydrophobicContact CD1-CD2 4.45Å; I277-P366 HydrophobicContact CD1-CB 4.45Å; I277-P366 HydrophobicContact CD1-CG 3.31Å; I277-P366 HydrophobicContact CG1-CG 4.25Å
278	N	94.5	Very high	93	Very high	34 Å²	34	62.8 Å²	62.8	18%	0.182	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-34.3	-179	-73.5	-4.1	0	0	0	111.8	R274 Q275 E276 A280 R281 A292 F293	R274-N278 PolarHBondContact NH1-ND2 3.18Å; R274-N278 PolarHBondContact O-N 3.26Å; R274-N278 VanDerWaalsContact O-N 3.12Å; Q275-N278 PolarHBondContact O-N 2.92Å; E276-N278 VanDerWaalsContact C-N 3.32Å; E276-N278 PolarHBondContact O-N 2.85Å; N278-A280 VanDerWaalsContact C-N 3.28Å; N278-A280 PolarHBondContact O-N 2.79Å; N278-R281 PolarHBondContact O-N 2.87Å; N278-A292 WeakPolarHBondContact OD1-CA 3.21Å; N278-F293 PolarHBondContact ND2-O 3.01Å; N278-F293 PolarHBondContact OD1-N 3.27Å
279	A	94.8	Very high	92.8	Very high	78 Å²	78	56.6 Å²	56.6	65%	0.645	32%	0.319	S	S	*	.	H	α-helix	trans	-68.1	-27.4	176	0	0	0	0	0	112.5	Q275 E276 I277 R281	Q275-A279 VanDerWaalsContact O-CB 3.28Å; Q275-A279 WeakPolarHBondContact O-CB 3.17Å; Q275-A279 PolarHBondContact O-N 2.97Å; E276-A279 PolarHBondContact O-N 2.64Å; I277-A279 VanDerWaalsContact C-N 3.31Å; I277-A279 PolarHBondContact O-N 3.14Å; A279-R281 PolarHBondContact O-N 3.49Å
280	A	94.3	Very high	92.7	Very high	67 Å²	67	55.7 Å²	55.7	55%	0.554	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-7.3	170.4	0	0	0	0	0	113.5	E276 I277 N278	E276-A280 PolarHBondContact O-N 3.33Å; I277-A280 WeakPolarHBondContact O-CB 3.29Å; I277-A280 PolarHBondContact O-N 2.8Å; N278-A280 VanDerWaalsContact C-N 3.28Å; N278-A280 PolarHBondContact O-N 2.79Å
281	R	93.9	Very high	92.6	Very high	146 Å²	146	55.4 Å²	55.4	55%	0.551	32%	0.316	S	S	*	.			trans	48.4	59.7	176.7	-61.3	-178.5	65.6	-160.2	-3.4	112.7	N278 A279 Q283 T290	N278-R281 PolarHBondContact O-N 2.87Å; A279-R281 PolarHBondContact O-N 3.49Å; R281-Q283 PolarHBondContact O-N 3.4Å; R281-Q283 PolarHBondContact O-NE2 2.73Å; R281-T290 HydrophobicContact CB-CG2 3.82Å; R281-T290 HydrophobicContact CG-CG2 4.31Å
282	P	94.4	Very high	92.5	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.039	32%	0.318	C	S	.	.			trans	-58.3	138.6	177.7	23.2	-32.3	0	0	0	110.9	I277 T290 L291 F419 Q420	I277-P282 VanDerWaalsContact O-CD 3.28Å; I277-P282 WeakPolarHBondContact O-CD 3.49Å; P282-T290 CarbonylContact O-C 3.54Å; P282-T290 WeakPolarHBondContact O-CA 3.24Å; P282-L291 HydrophobicContact CG-CB 4.15Å; P282-L291 PolarHBondContact O-N 2.81Å; P282-F419 HydrophobicContact CB-CB 4.2Å; P282-F419 HydrophobicContact CB-CD1 3.61Å; P282-F419 HydrophobicContact CB-CE1 4.41Å; P282-F419 HydrophobicContact CB-CG 4.27Å; P282-F419 HydrophobicContact CG-CD1 4.2Å; P282-Q420 CarbonylContact C-O 3.54Å; P282-Q420 WeakPolarHBondContact CA-O 3.06Å
283	Q	93.9	Very high	92.3	Very high	35 Å²	35	52.6 Å²	52.6	16%	0.164	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-104	143.5	-177.7	-59.8	-55.2	-47	0	0	111.9	R281 P285 T290 Q420	R281-Q283 PolarHBondContact O-N 3.4Å; R281-Q283 PolarHBondContact O-NE2 2.73Å; Q283-P285 WeakPolarHBondContact O-CD 3.49Å; Q283-T290 PolarHBondContact NE2-OG1 2.95Å; Q283-T290 PolarHBondContact OE1-OG1 2.96Å; Q283-Q420 PolarHBondContact N-O 2.81Å
284	C	92.3	Very high	91.9	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.02	30%	0.301	C	S	.	.			trans	-74.6	121.1	165.9	-176.5	0	0	0	0	109.6	V286 G287 L288 N289 L291 G321	C284-V286 PolarHBondContact O-N 2.81Å; C284-G287 PolarHBondContact SG-N 3.19Å; C284-L288 WeakPolarHBondContact O-CA 3.36Å; C284-L288 PolarHBondContact O-N 3.1Å; C284-N289 WeakPolarHBondContact CB-OD1 3.25Å; C284-N289 PolarHBondContact N-O 3.44Å; C284-L291 HydrophobicContact CB-CD2 4.05Å; C284-L291 HydrophobicContact CB-CG 4.33Å; C284-G321 PolarHBondContact SG-N 3.5Å
285	P	88.8	Confident	91.3	Very high	40 Å²	40	53.5 Å²	53.5	26%	0.26	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.3	-179	-17.8	25	0	0	0	114	Q283 M341 Q420	Q283-P285 WeakPolarHBondContact O-CD 3.49Å; P285-M341 HydrophobicContact CB-CG 4.23Å; P285-M341 HydrophobicContact CB-SD 3.63Å; P285-M341 HydrophobicContact CG-CE 4.4Å; P285-M341 HydrophobicContact CG-CG 4.38Å; P285-M341 HydrophobicContact CG-SD 3.5Å; P285-M341 WeakPolarHBondContact CG-SD 3.46Å; P285-Q420 HydrophobicContact CB-CG 4.42Å; P285-Q420 HydrophobicContact CG-CG 3.67Å
286	V	86.1	Confident	90.2	Very high	69 Å²	69	50.5 Å²	50.5	42%	0.418	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-42.9	-174.8	178.6	0	0	0	0	111.8	C284 P340	C284-V286 PolarHBondContact O-N 2.81Å; V286-P340 HydrophobicContact CG2-CB 3.81Å; V286-P340 HydrophobicContact CG2-CG 3.79Å
287	G	82.9	Confident	88.7	Confident	46 Å²	46	52.8 Å²	52.8	47%	0.474	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.6	-177	0	0	0	0	0	114.1	C284 N289	C284-G287 PolarHBondContact SG-N 3.19Å; G287-N289 PolarHBondContact O-N 3.07Å
288	L	85.3	Confident	86.9	Confident	143 Å²	143	56.9 Å²	56.9	75%	0.749	32%	0.322	S	S	*	.			trans	53.1	24.8	-177.9	-53.5	178.7	0	0	0	113.7	C284	C284-L288 WeakPolarHBondContact O-CA 3.36Å; C284-L288 PolarHBondContact O-N 3.1Å
289	N	88.9	Confident	84.4	Confident	51 Å²	51	59.9 Å²	59.9	27%	0.273	35%	0.346	S	S	.	.			trans	-105.3	147.1	176.4	62.4	-49.6	0	0	0	110.8	C284 G287 L291	C284-N289 WeakPolarHBondContact CB-OD1 3.25Å; C284-N289 PolarHBondContact N-O 3.44Å; G287-N289 PolarHBondContact O-N 3.07Å; N289-L291 PolarHBondContact O-N 2.7Å
290	T	92.9	Very high	82.1	Confident	41 Å²	41	65.9 Å²	65.9	25%	0.252	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-73.1	127	173.7	-53.8	0	0	0	0	110.1	R281 P282 Q283	R281-T290 HydrophobicContact CB-CG2 3.82Å; R281-T290 HydrophobicContact CG-CG2 4.31Å; P282-T290 CarbonylContact O-C 3.54Å; P282-T290 WeakPolarHBondContact O-CA 3.24Å; Q283-T290 PolarHBondContact NE2-OG1 2.95Å; Q283-T290 PolarHBondContact OE1-OG1 2.96Å
291	L	94.4	Very high	79.5	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	36%	0.356	C	S	.	.			trans	-86.7	151.1	177.5	-54.1	175.9	0	0	0	110.6	P282 C284 N289 K308 P310 V319 H320 G321	P282-L291 HydrophobicContact CG-CB 4.15Å; P282-L291 PolarHBondContact O-N 2.81Å; C284-L291 HydrophobicContact CB-CD2 4.05Å; C284-L291 HydrophobicContact CB-CG 4.33Å; N289-L291 PolarHBondContact O-N 2.7Å; L291-K308 CarbonylContact C-O 3.55Å; L291-K308 VanDerWaalsContact CA-O 3.32Å; L291-K308 WeakPolarHBondContact CA-O 3.45Å; L291-P310 HydrophobicContact CB-CG 4.15Å; L291-V319 HydrophobicContact CD1-CG1 4.05Å; L291-H320 WeakPolarHBondContact CD1-O 3.43Å; L291-G321 VanDerWaalsContact CD2-CA 3.43Å
292	A	93.4	Very high	77.1	Confident	28 Å²	28	65.4 Å²	65.4	23%	0.231	36%	0.361	C	S	.	.			trans	-151.4	131.6	176.4	0	0	0	0	0	111.4	N278 K308 P310	N278-A292 WeakPolarHBondContact OD1-CA 3.21Å; A292-K308 PolarHBondContact N-O 3.14Å; A292-P310 WeakPolarHBondContact O-CD 3.28Å
293	F	92	Very high	74.9	Confident	3 Å²	3	69.5 Å²	69.5	1%	0.013	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-65.9	133.7	170	-80.4	-82.8	0	0	0	110.6	R274 I277 N278 P310 L351 L353 V376 F419	R274-F293 HydrophobicContact CG-CB 3.91Å; R274-F293 PolarHBondContact NH1-O 2.76Å; I277-F293 HydrophobicContact CD1-CD2 4.18Å; I277-F293 HydrophobicContact CD1-CE2 4.13Å; I277-F293 HydrophobicContact CG2-CD2 3.87Å; I277-F293 HydrophobicContact CG2-CE2 3.92Å; N278-F293 PolarHBondContact ND2-O 3.01Å; N278-F293 PolarHBondContact OD1-N 3.27Å; F293-P310 HydrophobicContact CD1-CG 4.38Å; F293-P310 HydrophobicContact CD2-CG 4.01Å; F293-P310 HydrophobicContact CE1-CG 4.3Å; F293-P310 HydrophobicContact CE2-CG 3.91Å; F293-P310 HydrophobicContact CG-CG 4.26Å; F293-P310 HydrophobicContact CZ-CB 4.34Å; F293-P310 HydrophobicContact CZ-CG 4.06Å; F293-L351 HydrophobicContact CE1-CB 3.69Å; F293-L351 HydrophobicContact CZ-CB 4.01Å; F293-L351 HydrophobicContact CZ-CD1 4.08Å; F293-L353 HydrophobicContact CB-CD1 3.99Å; F293-L353 HydrophobicContact CD1-CD1 4.05Å; F293-L353 HydrophobicContact CD1-CD2 4.47Å; F293-L353 HydrophobicContact CD1-CG 3.75Å; F293-L353 HydrophobicContact CE1-CD2 4.37Å; F293-L353 HydrophobicContact CE1-CG 4.04Å; F293-L353 HydrophobicContact CG-CD1 3.99Å; F293-L353 HydrophobicContact CG-CG 4.16Å; F293-V376 HydrophobicContact CE1-CG2 4.21Å; F293-V376 HydrophobicContact CZ-CG2 4.22Å; F293-F419 HydrophobicContact CE2-CE1 4.13Å; F293-F419 AromaticContact CE2-CZ 3.85Å; F293-F419 HydrophobicContact CE2-CZ 3.85Å; F293-F419 HydrophobicContact CZ-CZ 4.21Å
294	P	87.4	Confident	72.7	Confident	18 Å²	18	71.7 Å²	71.7	12%	0.117	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-65.5	156.1	176.5	29.5	-35.9	0	0	0	111.5	R274 R298	R274-P294 VanDerWaalsContact CD-O 3.28Å; R274-P294 WeakPolarHBondContact CD-O 3.13Å; P294-R298 VanDerWaalsContact CB-NH2 3.35Å
295	S	81.8	Confident	70.8	Confident	49 Å²	49	75.1 Å²	75.1	34%	0.343	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-60.4	143.3	172.9	178.3	0	0	0	0	111.3	Q297	S295-Q297 VanDerWaalsContact C-N 3.27Å; S295-Q297 PolarHBondContact O-N 3.37Å; S295-Q297 PolarHBondContact OG-N 3.36Å
296	M	72.6	Confident	69.5	Low	41 Å²	41	78.3 Å²	78.3	20%	0.202	44%	0.438	C	S	.	.	S	Bend	trans	-71	-21	179.6	-65.6	-172.2	-82.4	0	0	113.2	L270 E271 R298 C355	L270-M296 VanDerWaalsContact C-CE 3.45Å; L270-M296 HydrophobicContact CB-CE 3.83Å; L270-M296 HydrophobicContact CB-SD 4.23Å; E271-M296 HydrophobicContact CB-CE 3.6Å; E271-M296 WeakPolarHBondContact OE2-CE 3.31Å; M296-R298 PolarHBondContact O-N 3.4Å; M296-C355 VanDerWaalsContact CG-SG 3.54Å; M296-C355 HydrophobicContact SD-CB 4.12Å; M296-C355 VanDerWaalsContact SD-SG 3.62Å
297	Q	63.1	Low	68.6	Low	180 Å²	180	81.2 Å²	81.2	84%	0.841	45%	0.451	S	S	*	.	S	Bend	trans	-90.2	69.5	175.9	-65	178.6	-6	0	0	110.5	S295 S299	S295-Q297 VanDerWaalsContact C-N 3.27Å; S295-Q297 PolarHBondContact O-N 3.37Å; S295-Q297 PolarHBondContact OG-N 3.36Å; Q297-S299 PolarHBondContact O-N 3.03Å
298	R	58	Low	68.7	Low	115 Å²	115	84.1 Å²	84.1	43%	0.434	45%	0.451	S	S	.	.			trans	-75.8	108.2	177.2	-83.1	-170.4	176.5	-168.2	-1.3	111.5	P294 M296	P294-R298 VanDerWaalsContact CB-NH2 3.35Å; M296-R298 PolarHBondContact O-N 3.4Å
299	S	41.8	Very low	69	Low	97 Å²	97	77.8 Å²	77.8	68%	0.678	42%	0.418	S	S	*	.			trans	-75.1	130.9	141.9	163.1	0	0	0	0	107.8	Q297 A301	Q297-S299 PolarHBondContact O-N 3.03Å; S299-A301 PolarHBondContact O-N 3.12Å
300	R	45.3	Very low	69.3	Low	203 Å²	203	75.4 Å²	75.4	77%	0.766	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	18	-171	-70	-179.8	172.2	164.3	-2.2	116.1	P32	P32-R300 PolarHBondContact O-NH2 2.68Å
301	A	39.6	Very low	69.4	Low	78 Å²	78	75.7 Å²	75.7	65%	0.645	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	7.9	-163.8	0	0	0	0	0	116.5	S299	S299-A301 PolarHBondContact O-N 3.12Å
302	L	45.4	Very low	69.5	Low	126 Å²	126	75.6 Å²	75.6	66%	0.66	40%	0.401	S	S	*	.			trans	-125.5	83.5	-179.3	-75.4	163.7	0	0	0	111.8	S304	L302-S304 PolarHBondContact O-N 2.93Å
303	S	47.6	Very low	69.6	Low	91 Å²	91	74.3 Å²	74.3	64%	0.636	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-67	-12.7	172	47.5	0	0	0	0	114	L305 E306	S303-L305 VanDerWaalsContact C-N 3.29Å; S303-L305 PolarHBondContact O-N 3.45Å; S303-E306 PolarHBondContact O-N 3.36Å
304	S	47.3	Very low	69.7	Low	82 Å²	82	74.2 Å²	74.2	57%	0.573	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-77.1	-5.3	-174.7	60.7	0	0	0	0	115.7	L302	L302-S304 PolarHBondContact O-N 2.93Å
305	L	53.2	Low	70	Confident	75 Å²	75	75.5 Å²	75.5	39%	0.393	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-98.6	-7.5	176.8	-74.1	169.5	0	0	0	113.5	S303 D307 K308 Q309	S303-L305 VanDerWaalsContact C-N 3.29Å; S303-L305 PolarHBondContact O-N 3.45Å; L305-D307 VanDerWaalsContact C-N 3.28Å; L305-D307 PolarHBondContact O-N 2.88Å; L305-K308 PolarHBondContact O-N 3.48Å; L305-Q309 PolarHBondContact O-N 2.93Å
306	E	60.4	Low	70.7	Confident	107 Å²	107	74.4 Å²	74.4	50%	0.5	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-64.4	-34.2	-178.8	-67	-178.2	162.9	0	0	111.6	S303 K308 Q309	S303-E306 PolarHBondContact O-N 3.36Å; E306-K308 PolarHBondContact O-N 3.4Å; E306-Q309 PolarHBondContact O-N 2.95Å
307	D	68.1	Low	71.8	Confident	129 Å²	129	72.5 Å²	72.5	69%	0.69	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-67.2	-20	179.3	-67.5	-22.6	0	0	0	114.3	L305	L305-D307 VanDerWaalsContact C-N 3.28Å; L305-D307 PolarHBondContact O-N 2.88Å
308	K	85.1	Confident	73.5	Confident	107 Å²	107	65.4 Å²	65.4	47%	0.465	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-107.7	-2.4	-178.7	-62.8	-176.1	-177	178.2	0	113.2	L291 A292 L305 E306	L291-K308 CarbonylContact C-O 3.55Å; L291-K308 VanDerWaalsContact CA-O 3.32Å; L291-K308 WeakPolarHBondContact CA-O 3.45Å; A292-K308 PolarHBondContact N-O 3.14Å; L305-K308 PolarHBondContact O-N 3.48Å; E306-K308 PolarHBondContact O-N 3.4Å
309	Q	91.8	Very high	75.3	Confident	11 Å²	11	60 Å²	60	5%	0.051	33%	0.331	C	S	.	.			trans	-61.7	134.3	179.5	-176.9	167.7	7	0	0	109.7	L305 E306 L351	L305-Q309 PolarHBondContact O-N 2.93Å; E306-Q309 PolarHBondContact O-N 2.95Å; Q309-L351 PolarHBondContact NE2-O 3.01Å
310	P	95	Very high	77.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	137.6	172	-20	31.1	0	0	0	111.6	L291 A292 F293 V319 L351	L291-P310 HydrophobicContact CB-CG 4.15Å; A292-P310 WeakPolarHBondContact O-CD 3.28Å; F293-P310 HydrophobicContact CD1-CG 4.38Å; F293-P310 HydrophobicContact CD2-CG 4.01Å; F293-P310 HydrophobicContact CE1-CG 4.3Å; F293-P310 HydrophobicContact CE2-CG 3.91Å; F293-P310 HydrophobicContact CG-CG 4.26Å; F293-P310 HydrophobicContact CZ-CB 4.34Å; F293-P310 HydrophobicContact CZ-CG 4.06Å; P310-V319 HydrophobicContact CB-CG1 3.77Å; P310-L351 HydrophobicContact CB-CB 4.29Å; P310-L351 HydrophobicContact CB-CD1 4.02Å; P310-L351 WeakPolarHBondContact O-CB 3.14Å; P310-L351 PolarHBondContact O-N 2.84Å
311	W	94.6	Very high	80	Confident	47 Å²	47	45.7 Å²	45.7	18%	0.178	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	156.3	170	-75.9	61.8	0	0	0	108.9	V319 H320 Y322 Y348 V349 P350	W311-V319 CarbonylContact O-C 3.59Å; W311-V319 WeakPolarHBondContact O-CA 2.98Å; W311-V319 WeakPolarHBondContact O-CG1 3.49Å; W311-H320 PolarHBondContact N-O 2.71Å; W311-H320 PolarHBondContact O-N 3.08Å; W311-H320 VanDerWaalsContact O-O 3.06Å; W311-Y322 AromaticContact CD2-CD2 3.9Å; W311-Y322 HydrophobicContact CD2-CD2 3.9Å; W311-Y322 AromaticContact CE2-CD2 3.56Å; W311-Y322 HydrophobicContact CE3-CD2 4.05Å; W311-Y322 AromaticContact CH2-CD2 3.59Å; W311-Y322 HydrophobicContact CH2-CD2 3.59Å; W311-Y322 AromaticContact CH2-CE2 3.74Å; W311-Y322 HydrophobicContact CH2-CE2 3.74Å; W311-Y322 AromaticContact CZ2-CD2 3.42Å; W311-Y322 HydrophobicContact CZ2-CD2 3.42Å; W311-Y322 VanDerWaalsContact CZ2-CD2 3.42Å; W311-Y322 AromaticContact CZ2-CE2 3.98Å; W311-Y322 HydrophobicContact CZ2-CE2 3.98Å; W311-Y322 HydrophobicContact CZ2-CG 4.28Å; W311-Y322 AromaticContact CZ3-CD2 3.9Å; W311-Y322 HydrophobicContact CZ3-CD2 3.9Å; W311-Y322 HydrophobicContact CZ3-CE2 4.08Å; W311-Y348 HydrophobicContact CB-CD2 4.46Å; W311-Y348 HydrophobicContact CB-CE1 4.2Å; W311-Y348 HydrophobicContact CB-CE2 3.6Å; W311-Y348 VanDerWaalsContact CB-CZ 3.46Å; W311-Y348 VanDerWaalsContact CB-OH 3.31Å; W311-Y348 WeakPolarHBondContact CB-OH 3.08Å; W311-Y348 HydrophobicContact CD2-CE1 4.06Å; W311-Y348 AromaticContact CE3-CD1 3.58Å; W311-Y348 HydrophobicContact CE3-CD1 3.58Å; W311-Y348 AromaticContact CE3-CE1 3.47Å; W311-Y348 HydrophobicContact CE3-CE1 3.47Å; W311-Y348 VanDerWaalsContact CE3-CE1 3.47Å; W311-Y348 HydrophobicContact CE3-CE2 4.49Å; W311-Y348 HydrophobicContact CE3-CG 4.2Å; W311-Y348 AromaticContact CE3-CZ 3.97Å; W311-Y348 HydrophobicContact CG-CE1 4.38Å; W311-Y348 HydrophobicContact CZ3-CD1 4.04Å; W311-Y348 HydrophobicContact CZ3-CE1 4.18Å; W311-V349 CarbonylContact C-O 3.42Å; W311-V349 VanDerWaalsContact CA-O 3.25Å; W311-V349 WeakPolarHBondContact CA-O 3.45Å; W311-P350 HydrophobicContact CD2-CB 4.12Å; W311-P350 HydrophobicContact CG-CB 4.49Å; W311-P350 HydrophobicContact CH2-CG 4.38Å; W311-P350 HydrophobicContact CZ2-CB 4.02Å; W311-P350 HydrophobicContact CZ2-CG 4.22Å
312	V	95.7	Very high	82.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.5	-175.7	65.9	0	0	0	0	111.8	L314 H318 V319 Y348 V349 L351 L417	V312-L314 HydrophobicContact CG1-CD2 3.41Å; V312-L314 VanDerWaalsContact CG1-CD2 3.41Å; V312-L314 HydrophobicContact CG1-CG 3.81Å; V312-L314 HydrophobicContact CG2-CD2 4.42Å; V312-L314 PolarHBondContact O-N 3.45Å; V312-H318 WeakPolarHBondContact CA-O 3.49Å; V312-V319 HydrophobicContact CG2-CG2 4.28Å; V312-Y348 WeakPolarHBondContact O-CA 3.45Å; V312-Y348 WeakPolarHBondContact O-CD2 3.15Å; V312-V349 HydrophobicContact CG1-CG2 3.95Å; V312-V349 PolarHBondContact N-O 3.16Å; V312-V349 PolarHBondContact O-N 3.29Å; V312-V349 VanDerWaalsContact O-N 3.15Å; V312-L351 HydrophobicContact CB-CD1 4.12Å; V312-L351 HydrophobicContact CB-CD2 3.87Å; V312-L351 HydrophobicContact CB-CG 4.01Å; V312-L351 HydrophobicContact CG1-CD1 4.46Å; V312-L351 HydrophobicContact CG1-CD2 3.3Å; V312-L351 HydrophobicContact CG1-CG 3.87Å; V312-L417 HydrophobicContact CB-CD2 4.34Å; V312-L417 HydrophobicContact CG2-CD2 3.72Å
313	Y	95.4	Very high	84.3	Confident	1 Å²	1	42.6 Å²	42.6	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	95.6	161.4	-73.4	-86.9	0	0	0	109.4	A315 C316 G317 H318 H320 H323 R337 E338 C339 P340 Y348	Y313-A315 PolarHBondContact O-N 2.86Å; Y313-A315 VanDerWaalsContact O-N 3.12Å; Y313-C316 VanDerWaalsContact CB-SG 3.52Å; Y313-C316 PolarHBondContact O-N 3.41Å; Y313-G317 PolarHBondContact O-N 3.21Å; Y313-H318 PolarHBondContact N-O 2.91Å; Y313-H320 AromaticContact CD2-CD2 3.72Å; Y313-H320 AromaticContact CD2-NE2 3.99Å; Y313-H320 AromaticContact CE2-CD2 3.83Å; Y313-H323 AromaticContact CE2-NE2 3.9Å; Y313-H323 AromaticContact CZ-CE1 3.95Å; Y313-H323 PolarHBondContact OH-CE1 3.31Å; Y313-R337 HydrophobicContact CE1-CB 3.63Å; Y313-E338 VanDerWaalsContact CE1-C 3.45Å; Y313-E338 WeakPolarHBondContact CE1-O 3.46Å; Y313-E338 VanDerWaalsContact CZ-O 3.29Å; Y313-E338 PolarHBondContact OH-O 3.13Å; Y313-C339 HydrophobicContact CD1-CB 3.84Å; Y313-C339 HydrophobicContact CD2-CB 4.18Å; Y313-C339 HydrophobicContact CE1-CB 4.21Å; Y313-C339 HydrophobicContact CG-CB 3.81Å; Y313-P340 WeakPolarHBondContact OH-CD 3.42Å; Y313-Y348 HydrophobicContact CD1-CD2 4.04Å; Y313-Y348 AromaticContact CD2-CD2 3.7Å; Y313-Y348 HydrophobicContact CD2-CD2 3.7Å; Y313-Y348 AromaticContact CD2-CE2 3.82Å; Y313-Y348 HydrophobicContact CD2-CE2 3.82Å; Y313-Y348 AromaticContact CE1-CD2 3.89Å; Y313-Y348 HydrophobicContact CE1-CD2 3.89Å; Y313-Y348 HydrophobicContact CE1-CG 4.21Å; Y313-Y348 AromaticContact CE2-CD2 3.53Å; Y313-Y348 HydrophobicContact CE2-CD2 3.53Å; Y313-Y348 AromaticContact CE2-CE2 3.46Å; Y313-Y348 HydrophobicContact CE2-CE2 3.46Å; Y313-Y348 VanDerWaalsContact CE2-CE2 3.46Å; Y313-Y348 HydrophobicContact CE2-CG 4.46Å; Y313-Y348 AromaticContact CG-CD2 3.94Å; Y313-Y348 HydrophobicContact CG-CD2 3.94Å; Y313-Y348 AromaticContact CZ-CD2 3.63Å; Y313-Y348 AromaticContact CZ-CE2 3.9Å
314	L	94.3	Very high	86	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28	-169.1	-75	178	0	0	0	114.1	V312 C316 P347 V349 A369 V371 P372 S415	V312-L314 HydrophobicContact CG1-CD2 3.41Å; V312-L314 VanDerWaalsContact CG1-CD2 3.41Å; V312-L314 HydrophobicContact CG1-CG 3.81Å; V312-L314 HydrophobicContact CG2-CD2 4.42Å; V312-L314 PolarHBondContact O-N 3.45Å; L314-C316 VanDerWaalsContact C-N 3.26Å; L314-C316 PolarHBondContact O-N 3.02Å; L314-P347 HydrophobicContact CB-CB 4.43Å; L314-P347 HydrophobicContact CD1-CB 4.29Å; L314-P347 PolarHBondContact N-O 2.86Å; L314-V349 HydrophobicContact CD1-CG2 3.62Å; L314-V349 HydrophobicContact CD2-CG2 4.39Å; L314-V349 HydrophobicContact CG-CG2 3.89Å; L314-A369 HydrophobicContact CD2-CB 4.27Å; L314-V371 HydrophobicContact CB-CG2 4.18Å; L314-V371 HydrophobicContact CD1-CB 4.49Å; L314-V371 HydrophobicContact CD1-CG1 4.31Å; L314-V371 HydrophobicContact CD1-CG2 4.32Å; L314-V371 HydrophobicContact CD2-CG2 4.16Å; L314-V371 HydrophobicContact CG-CG2 4.47Å; L314-P372 VanDerWaalsContact CD1-C 3.49Å; L314-P372 WeakPolarHBondContact CD1-O 3.44Å; L314-S415 VanDerWaalsContact O-CB 3.24Å; L314-S415 WeakPolarHBondContact O-CB 3.44Å; L314-S415 PolarHBondContact O-OG 3.04Å
315	A	94.3	Very high	87.4	Confident	45 Å²	45	44.1 Å²	44.1	37%	0.372	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.5	177.8	0	0	0	0	0	114.1	Y313 V344	Y313-A315 PolarHBondContact O-N 2.86Å; Y313-A315 VanDerWaalsContact O-N 3.12Å; A315-V344 HydrophobicContact CB-CG1 3.7Å
316	C	95.7	Very high	88.2	Confident	26 Å²	26	41.5 Å²	41.5	18%	0.176	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-7.7	179.8	65.5	0	0	0	0	114.8	Y313 L314 H318 V344	Y313-C316 VanDerWaalsContact CB-SG 3.52Å; Y313-C316 PolarHBondContact O-N 3.41Å; L314-C316 VanDerWaalsContact C-N 3.26Å; L314-C316 PolarHBondContact O-N 3.02Å; C316-H318 VanDerWaalsContact C-N 3.25Å; C316-H318 PolarHBondContact O-N 2.87Å; C316-H318 PolarHBondContact SG-ND1 2.78Å; C316-H318 VanDerWaalsContact SG-ND1 3.37Å; C316-V344 HydrophobicContact CB-CB 4.07Å; C316-V344 HydrophobicContact CB-CG1 4.22Å; C316-V344 HydrophobicContact CB-CG2 4.29Å
317	G	96.9	Very high	88.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.			trans	82	-6.2	176.4	0	0	0	0	0	115.2	Y313 V319 K416 I418	Y313-G317 PolarHBondContact O-N 3.21Å; G317-V319 PolarHBondContact O-N 2.72Å; G317-K416 WeakPolarHBondContact CA-O 3.32Å; G317-I418 PolarHBondContact O-N 3.29Å
318	H	97.1	Very high	88.4	Confident	31 Å²	31	43 Å²	43	14%	0.144	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-65.9	124.4	-179	-70.5	133.6	0	0	0	112.3	V312 Y313 C316 M341 C342	V312-H318 WeakPolarHBondContact CA-O 3.49Å; Y313-H318 PolarHBondContact N-O 2.91Å; C316-H318 VanDerWaalsContact C-N 3.25Å; C316-H318 PolarHBondContact O-N 2.87Å; C316-H318 PolarHBondContact SG-ND1 2.78Å; C316-H318 VanDerWaalsContact SG-ND1 3.37Å; H318-M341 HydrophobicContact CB-CE 3.65Å; H318-M341 WeakPolarHBondContact CD2-CE 3.25Å; H318-M341 WeakPolarHBondContact NE2-CE 2.89Å; H318-C342 PolarHBondContact ND1-SG 2.9Å; H318-C342 VanDerWaalsContact ND1-SG 3.4Å
319	V	96.4	Very high	87	Confident	1 Å²	1	42 Å²	42	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.8	-179.1	-177.2	0	0	0	0	110.8	L291 P310 W311 V312 G317 L351 L417 I418 F419	L291-V319 HydrophobicContact CD1-CG1 4.05Å; P310-V319 HydrophobicContact CB-CG1 3.77Å; W311-V319 CarbonylContact O-C 3.59Å; W311-V319 WeakPolarHBondContact O-CA 2.98Å; W311-V319 WeakPolarHBondContact O-CG1 3.49Å; V312-V319 HydrophobicContact CG2-CG2 4.28Å; G317-V319 PolarHBondContact O-N 2.72Å; V319-L351 HydrophobicContact CG1-CD1 4.23Å; V319-L351 HydrophobicContact CG2-CD1 4.09Å; V319-L417 HydrophobicContact CG2-CB 4.07Å; V319-L417 HydrophobicContact CG2-CD2 4.1Å; V319-I418 PolarHBondContact N-O 3.36Å; V319-F419 HydrophobicContact CB-CD1 3.93Å; V319-F419 HydrophobicContact CB-CE1 4.12Å; V319-F419 HydrophobicContact CB-CG 4.38Å; V319-F419 HydrophobicContact CG1-CD1 3.75Å; V319-F419 HydrophobicContact CG1-CE1 3.61Å; V319-F419 HydrophobicContact CG1-CZ 4.39Å; V319-F419 HydrophobicContact CG2-CD1 4.11Å; V319-F419 HydrophobicContact CG2-CD2 4.4Å; V319-F419 HydrophobicContact CG2-CE1 4.03Å; V319-F419 HydrophobicContact CG2-CE2 4.29Å; V319-F419 HydrophobicContact CG2-CG 4.31Å; V319-F419 HydrophobicContact CG2-CZ 4.1Å
320	H	93.8	Very high	85.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	172.7	-178.8	-70.6	-116.6	0	0	0	109.8	L291 W311 Y313 H323 Y348	L291-H320 WeakPolarHBondContact CD1-O 3.43Å; W311-H320 PolarHBondContact N-O 2.71Å; W311-H320 PolarHBondContact O-N 3.08Å; W311-H320 VanDerWaalsContact O-O 3.06Å; Y313-H320 AromaticContact CD2-CD2 3.72Å; Y313-H320 AromaticContact CD2-NE2 3.99Å; Y313-H320 AromaticContact CE2-CD2 3.83Å; H320-H323 AromaticContact CG-NE2 3.86Å; H320-H323 AromaticContact ND1-CD2 3.96Å; H320-H323 AromaticContact ND1-NE2 3.38Å; H320-H323 PolarHBondContact ND1-NE2 3.15Å; H320-Y348 HydrophobicContact CB-CE2 4.33Å
321	G	92.2	Very high	82.7	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	162.3	158.1	0	0	0	0	0	110.1	C284 L291 H323 Y348	C284-G321 PolarHBondContact SG-N 3.5Å; L291-G321 VanDerWaalsContact CD2-CA 3.43Å; G321-H323 PolarHBondContact O-CD2 3.24Å; G321-H323 VanDerWaalsContact O-CD2 3.24Å; G321-H323 PolarHBondContact O-N 3.01Å; G321-Y348 PolarHBondContact O-OH 3.07Å
322	Y	89.8	Confident	80.4	Confident	117 Å²	117	65.8 Å²	65.8	46%	0.459	31%	0.31	S	S	.	.			trans	-52	133	179	-177.1	-103.9	0	0	0	112.2	W311 N324 Y348	W311-Y322 AromaticContact CD2-CD2 3.9Å; W311-Y322 HydrophobicContact CD2-CD2 3.9Å; W311-Y322 AromaticContact CE2-CD2 3.56Å; W311-Y322 HydrophobicContact CE3-CD2 4.05Å; W311-Y322 AromaticContact CH2-CD2 3.59Å; W311-Y322 HydrophobicContact CH2-CD2 3.59Å; W311-Y322 AromaticContact CH2-CE2 3.74Å; W311-Y322 HydrophobicContact CH2-CE2 3.74Å; W311-Y322 AromaticContact CZ2-CD2 3.42Å; W311-Y322 HydrophobicContact CZ2-CD2 3.42Å; W311-Y322 VanDerWaalsContact CZ2-CD2 3.42Å; W311-Y322 AromaticContact CZ2-CE2 3.98Å; W311-Y322 HydrophobicContact CZ2-CE2 3.98Å; W311-Y322 HydrophobicContact CZ2-CG 4.28Å; W311-Y322 AromaticContact CZ3-CD2 3.9Å; W311-Y322 HydrophobicContact CZ3-CD2 3.9Å; W311-Y322 HydrophobicContact CZ3-CE2 4.08Å; Y322-N324 PolarHBondContact OH-OD1 3.43Å; Y322-Y348 HydrophobicContact CD2-CE1 4.41Å
323	H	86.3	Confident	78.1	Confident	22 Å²	22	71.5 Å²	71.5	10%	0.102	35%	0.347	C	S	.	.			trans	-156.6	158.9	176.3	64	76.1	0	0	0	111	Y313 H320 G321 W325 R337 Y348	Y313-H323 AromaticContact CE2-NE2 3.9Å; Y313-H323 AromaticContact CZ-CE1 3.95Å; Y313-H323 PolarHBondContact OH-CE1 3.31Å; H320-H323 AromaticContact CG-NE2 3.86Å; H320-H323 AromaticContact ND1-CD2 3.96Å; H320-H323 AromaticContact ND1-NE2 3.38Å; H320-H323 PolarHBondContact ND1-NE2 3.15Å; G321-H323 PolarHBondContact O-CD2 3.24Å; G321-H323 VanDerWaalsContact O-CD2 3.24Å; G321-H323 PolarHBondContact O-N 3.01Å; H323-W325 WeakPolarHBondContact ND1-CB 3.45Å; H323-W325 PolarHBondContact ND1-N 3.48Å; H323-R337 PolarHBondContact O-NH1 3.14Å; H323-Y348 PolarHBondContact CD2-OH 2.88Å
324	N	81.9	Confident	76.2	Confident	112 Å²	112	77.8 Å²	77.8	60%	0.599	38%	0.381	S	S	*	.			trans	-95.7	0.8	-177.7	-64.7	-34	0	0	0	114.3	Y322	Y322-N324 PolarHBondContact OH-OD1 3.43Å
325	W	77.4	Confident	74.9	Confident	93 Å²	93	80.2 Å²	80.2	35%	0.352	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	144.2	177.6	-171.3	91.8	0	0	0	112.8	H323 H327 E338 C339 P340 R343	H323-W325 WeakPolarHBondContact ND1-CB 3.45Å; H323-W325 PolarHBondContact ND1-N 3.48Å; W325-H327 VanDerWaalsContact C-N 3.32Å; W325-H327 PolarHBondContact O-N 3.32Å; W325-E338 HydrophobicContact CH2-CB 4.22Å; W325-E338 HydrophobicContact CH2-CG 4.03Å; W325-E338 HydrophobicContact CZ3-CB 3.86Å; W325-E338 HydrophobicContact CZ3-CG 4.08Å; W325-E338 WeakPolarHBondContact CZ3-O 3.26Å; W325-C339 VanDerWaalsContact CZ3-C 3.49Å; W325-P340 HydrophobicContact CD2-CB 4.36Å; W325-P340 HydrophobicContact CD2-CG 4.02Å; W325-P340 HydrophobicContact CE3-CB 4.01Å; W325-P340 HydrophobicContact CE3-CG 3.44Å; W325-P340 VanDerWaalsContact CE3-CG 3.44Å; W325-P340 HydrophobicContact CH2-CB 4.29Å; W325-P340 HydrophobicContact CZ3-CB 3.95Å; W325-P340 HydrophobicContact CZ3-CG 3.73Å; W325-P340 VanDerWaalsContact CZ3-N 3.26Å; W325-R343 VanDerWaalsContact CH2-NH1 3.35Å; W325-R343 VanDerWaalsContact CZ2-NH1 3.28Å
326	G	70.6	Confident	74.4	Confident	20 Å²	20	82.8 Å²	82.8	21%	0.206	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	12.6	174	0	0	0	0	0	115.3	R328	G326-R328 PolarHBondContact O-N 2.86Å
327	H	71.9	Confident	74.1	Confident	83 Å²	83	82.2 Å²	82.2	38%	0.384	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-76.3	104.8	178.1	-159.8	-86.2	0	0	0	111.4	W325 S329	W325-H327 VanDerWaalsContact C-N 3.32Å; W325-H327 PolarHBondContact O-N 3.32Å; H327-S329 PolarHBondContact CE1-O 3.26Å; H327-S329 PolarHBondContact ND1-O 2.71Å; H327-S329 PolarHBondContact O-N 2.79Å
328	R	61.2	Low	73.8	Confident	185 Å²	185	83.9 Å²	83.9	70%	0.698	40%	0.402	S	S	*	.			trans	-90.7	89.3	175.6	-66.4	-172.4	-175.9	-165.8	4.1	109.6	G326 E338	G326-R328 PolarHBondContact O-N 2.86Å; R328-E338 IonicContact CZ-OE2 3.85Å; R328-E338 IonicContact NH2-OE2 2.89Å; R328-E338 PolarHBondContact NH2-OE2 3.24Å
329	S	55	Low	73.7	Confident	85 Å²	85	82.4 Å²	82.4	59%	0.594	40%	0.395	S	S	*	.			trans	77.4	144	172.5	81.3	0	0	0	0	118.9	H327 R331	H327-S329 PolarHBondContact CE1-O 3.26Å; H327-S329 PolarHBondContact ND1-O 2.71Å; H327-S329 PolarHBondContact O-N 2.79Å; S329-R331 PolarHBondContact O-N 3.02Å
330	E	52.3	Low	73.4	Confident	188 Å²	188	83.6 Å²	83.6	88%	0.879	40%	0.404	S	S	*	.	S	Bend	trans	-80.5	4.2	-174	-67.6	-179.9	157.9	0	0	115.8
331	R	44.3	Very low	73.4	Confident	227 Å²	227	87 Å²	87	86%	0.857	42%	0.42	S	S	*	.	S	Bend	trans	-104.7	-2.5	-161	-77.9	-171.7	177.7	-167.8	-0.7	117.5	S329	S329-R331 PolarHBondContact O-N 3.02Å
332	E	45.3	Very low	73.5	Confident	142 Å²	142	89.3 Å²	89.3	66%	0.664	44%	0.435	S	S	*	.			trans	-139	130.5	-178.5	-72.7	-88.7	149.4	0	0	110.8	N334	E332-N334 PolarHBondContact O-N 3.06Å; E332-N334 VanDerWaalsContact O-N 3.08Å
333	P	48.8	Very low	73.7	Confident	120 Å²	120	90.8 Å²	90.8	78%	0.779	44%	0.44	S	S	*	.	S	Bend	trans	-69.8	1.1	178.2	26.6	-31.9	0	0	0	114.2	T335	P333-T335 PolarHBondContact O-N 2.98Å
334	N	54.5	Low	74	Confident	133 Å²	133	92.6 Å²	92.6	71%	0.711	45%	0.453	S	S	*	.			trans	-87.4	83.2	172.1	-90.1	-20.3	0	0	0	111	E332 Q336	E332-N334 PolarHBondContact O-N 3.06Å; E332-N334 VanDerWaalsContact O-N 3.08Å; N334-Q336 PolarHBondContact O-N 2.82Å
335	T	68.1	Low	74.5	Confident	53 Å²	53	90.6 Å²	90.6	33%	0.325	45%	0.445	S	S	.	.			trans	-63.9	55	-176.2	53.1	0	0	0	0	115.1	P333 R337 Y348	P333-T335 PolarHBondContact O-N 2.98Å; T335-R337 PolarHBondContact O-N 3.32Å; T335-Y348 PolarHBondContact O-N 2.84Å
336	Q	83	Confident	75.1	Confident	100 Å²	100	86.2 Å²	86.2	47%	0.467	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	114.9	167	-66	-69.6	-30.8	0	0	108.8	N334 V345 G346	N334-Q336 PolarHBondContact O-N 2.82Å; Q336-V345 HydrophobicContact CB-CG1 4.04Å; Q336-G346 WeakPolarHBondContact CA-O 3.26Å; Q336-G346 VanDerWaalsContact OE1-C 3.31Å
337	R	88.6	Confident	76.1	Confident	14 Å²	14	86.7 Å²	86.7	5%	0.053	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.3	179.3	-62.4	-169.9	-171.3	-170.3	-4.5	110.1	Y313 H323 T335 V345 G346 Y348	Y313-R337 HydrophobicContact CE1-CB 3.63Å; H323-R337 PolarHBondContact O-NH1 3.14Å; T335-R337 PolarHBondContact O-N 3.32Å; R337-V345 WeakPolarHBondContact O-CA 3.29Å; R337-G346 PolarHBondContact N-O 2.88Å; R337-G346 PolarHBondContact O-N 3.03Å; R337-Y348 VanDerWaalsContact NH1-CD1 3.35Å
338	E	92.1	Very high	77	Confident	34 Å²	34	82.9 Å²	82.9	16%	0.159	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.1	169.3	-165.2	175.7	125.5	0	0	108.6	Y313 W325 R328 R343 V345	Y313-E338 VanDerWaalsContact CE1-C 3.45Å; Y313-E338 WeakPolarHBondContact CE1-O 3.46Å; Y313-E338 VanDerWaalsContact CZ-O 3.29Å; Y313-E338 PolarHBondContact OH-O 3.13Å; W325-E338 HydrophobicContact CH2-CB 4.22Å; W325-E338 HydrophobicContact CH2-CG 4.03Å; W325-E338 HydrophobicContact CZ3-CB 3.86Å; W325-E338 HydrophobicContact CZ3-CG 4.08Å; W325-E338 WeakPolarHBondContact CZ3-O 3.26Å; R328-E338 IonicContact CZ-OE2 3.85Å; R328-E338 IonicContact NH2-OE2 2.89Å; R328-E338 PolarHBondContact NH2-OE2 3.24Å; E338-R343 HydrophobicContact CG-CB 4.44Å; E338-R343 WeakPolarHBondContact OE1-CD 3.32Å; E338-R343 IonicContact OE1-CZ 3.89Å; E338-R343 IonicContact OE1-NE 3.29Å; E338-R343 IonicContact OE1-NH1 3.71Å; E338-R343 PolarHBondContact OE1-NH1 3.5Å; E338-V345 HydrophobicContact CB-CG2 4.23Å; E338-V345 HydrophobicContact CG-CG2 4.3Å
339	C	93.3	Very high	78.5	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.383	C	S	.	.			trans	-79.8	126.8	173.6	177.1	0	0	0	0	110.6	Y313 W325 M341 C342 R343 V344	Y313-C339 HydrophobicContact CD1-CB 3.84Å; Y313-C339 HydrophobicContact CD2-CB 4.18Å; Y313-C339 HydrophobicContact CE1-CB 4.21Å; Y313-C339 HydrophobicContact CG-CB 3.81Å; W325-C339 VanDerWaalsContact CZ3-C 3.49Å; C339-M341 PolarHBondContact O-N 2.99Å; C339-C342 VanDerWaalsContact SG-SG 3.66Å; C339-R343 VanDerWaalsContact O-CA 3.23Å; C339-R343 WeakPolarHBondContact O-CA 3.29Å; C339-R343 PolarHBondContact O-N 2.81Å; C339-V344 WeakPolarHBondContact CB-O 3.4Å; C339-V344 PolarHBondContact N-O 3.19Å
340	P	92.1	Very high	80.4	Confident	27 Å²	27	72.6 Å²	72.6	18%	0.175	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.2	-179	-20.2	25.9	0	0	0	114.2	V286 Y313 W325	V286-P340 HydrophobicContact CG2-CB 3.81Å; V286-P340 HydrophobicContact CG2-CG 3.79Å; Y313-P340 WeakPolarHBondContact OH-CD 3.42Å; W325-P340 HydrophobicContact CD2-CB 4.36Å; W325-P340 HydrophobicContact CD2-CG 4.02Å; W325-P340 HydrophobicContact CE3-CB 4.01Å; W325-P340 HydrophobicContact CE3-CG 3.44Å; W325-P340 VanDerWaalsContact CE3-CG 3.44Å; W325-P340 HydrophobicContact CH2-CB 4.29Å; W325-P340 HydrophobicContact CZ3-CB 3.95Å; W325-P340 HydrophobicContact CZ3-CG 3.73Å; W325-P340 VanDerWaalsContact CZ3-N 3.26Å
341	M	92.5	Very high	82.4	Confident	71 Å²	71	63.6 Å²	63.6	35%	0.35	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-43.3	-173.8	-58.7	-157.5	-49.3	0	0	113	P285 H318 C339 Q420	P285-M341 HydrophobicContact CB-CG 4.23Å; P285-M341 HydrophobicContact CB-SD 3.63Å; P285-M341 HydrophobicContact CG-CE 4.4Å; P285-M341 HydrophobicContact CG-CG 4.38Å; P285-M341 HydrophobicContact CG-SD 3.5Å; P285-M341 WeakPolarHBondContact CG-SD 3.46Å; H318-M341 HydrophobicContact CB-CE 3.65Å; H318-M341 WeakPolarHBondContact CD2-CE 3.25Å; H318-M341 WeakPolarHBondContact NE2-CE 2.89Å; C339-M341 PolarHBondContact O-N 2.99Å; M341-Q420 HydrophobicContact SD-CG 4.33Å
342	C	94.9	Very high	84.7	Confident	49 Å²	49	57 Å²	57	33%	0.331	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	0.5	-173.2	67.7	0	0	0	0	114.8	H318 C339 V344	H318-C342 PolarHBondContact ND1-SG 2.9Å; H318-C342 VanDerWaalsContact ND1-SG 3.4Å; C339-C342 VanDerWaalsContact SG-SG 3.66Å; C342-V344 HydrophobicContact CB-CG2 4.49Å; C342-V344 PolarHBondContact O-N 3Å
343	R	93.1	Very high	87.1	Confident	148 Å²	148	51 Å²	51	56%	0.558	27%	0.27	S	S	*	.			trans	64.3	2.9	177.7	-50.3	-67.3	177.4	156.9	0.4	115.8	W325 E338 C339 V345	W325-R343 VanDerWaalsContact CH2-NH1 3.35Å; W325-R343 VanDerWaalsContact CZ2-NH1 3.28Å; E338-R343 HydrophobicContact CG-CB 4.44Å; E338-R343 WeakPolarHBondContact OE1-CD 3.32Å; E338-R343 IonicContact OE1-CZ 3.89Å; E338-R343 IonicContact OE1-NE 3.29Å; E338-R343 IonicContact OE1-NH1 3.71Å; E338-R343 PolarHBondContact OE1-NH1 3.5Å; C339-R343 VanDerWaalsContact O-CA 3.23Å; C339-R343 WeakPolarHBondContact O-CA 3.29Å; C339-R343 PolarHBondContact O-N 2.81Å; R343-V345 PolarHBondContact O-N 3.12Å
344	V	94.3	Very high	89.3	Confident	61 Å²	61	45.3 Å²	45.3	37%	0.37	23%	0.233	S	C	.	.			trans	-63.1	131.8	171.1	176.9	0	0	0	0	109.2	A315 C316 C339 C342	A315-V344 HydrophobicContact CB-CG1 3.7Å; C316-V344 HydrophobicContact CB-CB 4.07Å; C316-V344 HydrophobicContact CB-CG1 4.22Å; C316-V344 HydrophobicContact CB-CG2 4.29Å; C339-V344 WeakPolarHBondContact CB-O 3.4Å; C339-V344 PolarHBondContact N-O 3.19Å; C342-V344 HydrophobicContact CB-CG2 4.49Å; C342-V344 PolarHBondContact O-N 3Å
345	V	91.6	Very high	91.1	Very high	70 Å²	70	40 Å²	40	42%	0.424	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.7	176.4	179.8	0	0	0	0	108.9	Q336 R337 E338 R343	Q336-V345 HydrophobicContact CB-CG1 4.04Å; R337-V345 WeakPolarHBondContact O-CA 3.29Å; E338-V345 HydrophobicContact CB-CG2 4.23Å; E338-V345 HydrophobicContact CG-CG2 4.3Å; R343-V345 PolarHBondContact O-N 3.12Å
346	G	89.9	Confident	92.5	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	176.6	-179.8	0	0	0	0	0	113.4	Q336 R337 Y348	Q336-G346 WeakPolarHBondContact CA-O 3.26Å; Q336-G346 VanDerWaalsContact OE1-C 3.31Å; R337-G346 PolarHBondContact N-O 2.88Å; R337-G346 PolarHBondContact O-N 3.03Å; G346-Y348 PolarHBondContact O-N 3.15Å
347	P	90.9	Very high	93.1	Very high	30 Å²	30	33.3 Å²	33.3	20%	0.195	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	132.5	172.4	-21.2	32.3	0	0	0	111.2	L314 V349	L314-P347 HydrophobicContact CB-CB 4.43Å; L314-P347 HydrophobicContact CD1-CB 4.29Å; L314-P347 PolarHBondContact N-O 2.86Å; P347-V349 HydrophobicContact CB-CG1 4.42Å
348	Y	92.2	Very high	93.5	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	109.7	173.9	-175.8	-117.2	0	0	0	110.3	W311 V312 Y313 H320 G321 Y322 H323 T335 R337 G346	W311-Y348 HydrophobicContact CB-CD2 4.46Å; W311-Y348 HydrophobicContact CB-CE1 4.2Å; W311-Y348 HydrophobicContact CB-CE2 3.6Å; W311-Y348 VanDerWaalsContact CB-CZ 3.46Å; W311-Y348 VanDerWaalsContact CB-OH 3.31Å; W311-Y348 WeakPolarHBondContact CB-OH 3.08Å; W311-Y348 HydrophobicContact CD2-CE1 4.06Å; W311-Y348 AromaticContact CE3-CD1 3.58Å; W311-Y348 HydrophobicContact CE3-CD1 3.58Å; W311-Y348 AromaticContact CE3-CE1 3.47Å; W311-Y348 HydrophobicContact CE3-CE1 3.47Å; W311-Y348 VanDerWaalsContact CE3-CE1 3.47Å; W311-Y348 HydrophobicContact CE3-CE2 4.49Å; W311-Y348 HydrophobicContact CE3-CG 4.2Å; W311-Y348 AromaticContact CE3-CZ 3.97Å; W311-Y348 HydrophobicContact CG-CE1 4.38Å; W311-Y348 HydrophobicContact CZ3-CD1 4.04Å; W311-Y348 HydrophobicContact CZ3-CE1 4.18Å; V312-Y348 WeakPolarHBondContact O-CA 3.45Å; V312-Y348 WeakPolarHBondContact O-CD2 3.15Å; Y313-Y348 HydrophobicContact CD1-CD2 4.04Å; Y313-Y348 AromaticContact CD2-CD2 3.7Å; Y313-Y348 HydrophobicContact CD2-CD2 3.7Å; Y313-Y348 AromaticContact CD2-CE2 3.82Å; Y313-Y348 HydrophobicContact CD2-CE2 3.82Å; Y313-Y348 AromaticContact CE1-CD2 3.89Å; Y313-Y348 HydrophobicContact CE1-CD2 3.89Å; Y313-Y348 HydrophobicContact CE1-CG 4.21Å; Y313-Y348 AromaticContact CE2-CD2 3.53Å; Y313-Y348 HydrophobicContact CE2-CD2 3.53Å; Y313-Y348 AromaticContact CE2-CE2 3.46Å; Y313-Y348 HydrophobicContact CE2-CE2 3.46Å; Y313-Y348 VanDerWaalsContact CE2-CE2 3.46Å; Y313-Y348 HydrophobicContact CE2-CG 4.46Å; Y313-Y348 AromaticContact CG-CD2 3.94Å; Y313-Y348 HydrophobicContact CG-CD2 3.94Å; Y313-Y348 AromaticContact CZ-CD2 3.63Å; Y313-Y348 AromaticContact CZ-CE2 3.9Å; H320-Y348 HydrophobicContact CB-CE2 4.33Å; G321-Y348 PolarHBondContact O-OH 3.07Å; Y322-Y348 HydrophobicContact CD2-CE1 4.41Å; H323-Y348 PolarHBondContact CD2-OH 2.88Å; T335-Y348 PolarHBondContact O-N 2.84Å; R337-Y348 VanDerWaalsContact NH1-CD1 3.35Å; G346-Y348 PolarHBondContact O-N 3.15Å
349	V	92.3	Very high	93.8	Very high	22 Å²	22	31.1 Å²	31.1	13%	0.133	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.1	-168.5	-57.1	0	0	0	0	112	W311 V312 L314 P347	W311-V349 CarbonylContact C-O 3.42Å; W311-V349 VanDerWaalsContact CA-O 3.25Å; W311-V349 WeakPolarHBondContact CA-O 3.45Å; V312-V349 HydrophobicContact CG1-CG2 3.95Å; V312-V349 PolarHBondContact N-O 3.16Å; V312-V349 PolarHBondContact O-N 3.29Å; V312-V349 VanDerWaalsContact O-N 3.15Å; L314-V349 HydrophobicContact CD1-CG2 3.62Å; L314-V349 HydrophobicContact CD2-CG2 4.39Å; L314-V349 HydrophobicContact CG-CG2 3.89Å; P347-V349 HydrophobicContact CB-CG1 4.42Å
350	P	93.5	Very high	94	Very high	31 Å²	31	31.6 Å²	31.6	20%	0.201	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	147.8	170.7	28.5	-34.4	0	0	0	111.1	W311 W352	W311-P350 HydrophobicContact CD2-CB 4.12Å; W311-P350 HydrophobicContact CG-CB 4.49Å; W311-P350 HydrophobicContact CH2-CG 4.38Å; W311-P350 HydrophobicContact CZ2-CB 4.02Å; W311-P350 HydrophobicContact CZ2-CG 4.22Å; P350-W352 HydrophobicContact CB-CZ2 4.35Å; P350-W352 HydrophobicContact CG-CZ2 4.33Å
351	L	94.9	Very high	94.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.			trans	-93.3	139.2	173.6	-68.5	-178.2	0	0	0	111.7	F293 Q309 P310 V312 V319 A369 G374 V376 L417	F293-L351 HydrophobicContact CE1-CB 3.69Å; F293-L351 HydrophobicContact CZ-CB 4.01Å; F293-L351 HydrophobicContact CZ-CD1 4.08Å; Q309-L351 PolarHBondContact NE2-O 3.01Å; P310-L351 HydrophobicContact CB-CB 4.29Å; P310-L351 HydrophobicContact CB-CD1 4.02Å; P310-L351 WeakPolarHBondContact O-CB 3.14Å; P310-L351 PolarHBondContact O-N 2.84Å; V312-L351 HydrophobicContact CB-CD1 4.12Å; V312-L351 HydrophobicContact CB-CD2 3.87Å; V312-L351 HydrophobicContact CB-CG 4.01Å; V312-L351 HydrophobicContact CG1-CD1 4.46Å; V312-L351 HydrophobicContact CG1-CD2 3.3Å; V312-L351 HydrophobicContact CG1-CG 3.87Å; V319-L351 HydrophobicContact CG1-CD1 4.23Å; V319-L351 HydrophobicContact CG2-CD1 4.09Å; L351-A369 HydrophobicContact CD2-CB 3.95Å; L351-G374 WeakPolarHBondContact CA-O 2.92Å; L351-G374 VanDerWaalsContact CD2-O 3.31Å; L351-G374 WeakPolarHBondContact CD2-O 3.23Å; L351-V376 HydrophobicContact CB-CG2 3.91Å; L351-V376 HydrophobicContact CD1-CG2 4.25Å; L351-V376 HydrophobicContact CD2-CG2 3.69Å; L351-V376 HydrophobicContact CG-CG2 4.19Å; L351-L417 HydrophobicContact CD1-CD1 3.84Å; L351-L417 HydrophobicContact CD1-CD2 4.05Å; L351-L417 HydrophobicContact CD2-CD2 4.24Å
352	W	93.1	Very high	94.3	Very high	88 Å²	88	29.6 Å²	29.6	33%	0.333	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.3	178.3	-56.3	94.3	0	0	0	109.9	P350 G374 H375 V376	P350-W352 HydrophobicContact CB-CZ2 4.35Å; P350-W352 HydrophobicContact CG-CZ2 4.33Å; W352-G374 PolarHBondContact N-O 3.12Å; W352-G374 VanDerWaalsContact N-O 3.14Å; W352-H375 CarbonylContact O-C 3.54Å; W352-H375 VanDerWaalsContact O-CA 3.27Å; W352-H375 WeakPolarHBondContact O-CA 3.46Å; W352-V376 PolarHBondContact O-N 3.39Å
353	L	94.7	Very high	94.3	Very high	17 Å²	17	31 Å²	31	9%	0.089	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	141.5	175	-72.4	166.8	0	0	0	110.8	N28 R274 I277 F293 C355 P366 V376	N28-L353 PolarHBondContact ND2-O 3.36Å; N28-L353 VanDerWaalsContact ND2-O 3.13Å; R274-L353 HydrophobicContact CB-CD1 3.61Å; R274-L353 HydrophobicContact CG-CD1 3.45Å; R274-L353 VanDerWaalsContact CG-CD1 3.45Å; I277-L353 HydrophobicContact CD1-CD2 4.45Å; F293-L353 HydrophobicContact CB-CD1 3.99Å; F293-L353 HydrophobicContact CD1-CD1 4.05Å; F293-L353 HydrophobicContact CD1-CD2 4.47Å; F293-L353 HydrophobicContact CD1-CG 3.75Å; F293-L353 HydrophobicContact CE1-CD2 4.37Å; F293-L353 HydrophobicContact CE1-CG 4.04Å; F293-L353 HydrophobicContact CG-CD1 3.99Å; F293-L353 HydrophobicContact CG-CG 4.16Å; L353-C355 PolarHBondContact O-N 2.86Å; L353-C355 PolarHBondContact O-SG 3.31Å; L353-P366 HydrophobicContact CD2-CB 3.78Å; L353-P366 HydrophobicContact CD2-CG 3.97Å; L353-V376 HydrophobicContact CD2-CB 4.1Å; L353-V376 HydrophobicContact CD2-CG1 4.23Å
354	G	95.5	Very high	94.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.			trans	-68.8	110.6	166.8	0	0	0	0	0	109.9	Y360 V376	G354-Y360 WeakPolarHBondContact O-CE2 3.5Å; G354-Y360 PolarHBondContact O-OH 2.82Å; G354-V376 PolarHBondContact N-O 3Å
355	C	93.6	Very high	94.5	Very high	22 Å²	22	24.7 Å²	24.7	15%	0.149	15%	0.151	C	C	.	.			trans	-93.7	-15.7	-173.9	-59.8	0	0	0	0	113.2	N28 Q267 M296 L353 P357	N28-C355 PolarHBondContact OD1-N 3.25Å; Q267-C355 PolarHBondContact NE2-O 2.89Å; Q267-C355 PolarHBondContact OE1-O 2.86Å; M296-C355 VanDerWaalsContact CG-SG 3.54Å; M296-C355 HydrophobicContact SD-CB 4.12Å; M296-C355 VanDerWaalsContact SD-SG 3.62Å; L353-C355 PolarHBondContact O-N 2.86Å; L353-C355 PolarHBondContact O-SG 3.31Å; C355-P357 VanDerWaalsContact O-CD 3.25Å; C355-P357 WeakPolarHBondContact O-CD 3.24Å
356	E	95.9	Very high	94.7	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.009	13%	0.134	C	C	.	.			trans	-87.3	108.5	179.4	-179.9	47.7	-118.9	0	0	110.9	V23 G29 R42 A358 F359 Y360 F403	V23-E356 HydrophobicContact CG1-CG 3.79Å; G29-E356 VanDerWaalsContact CA-OE2 3.23Å; G29-E356 WeakPolarHBondContact CA-OE2 3.29Å; R42-E356 WeakPolarHBondContact CD-OE2 3.45Å; R42-E356 IonicContact CZ-OE2 2.86Å; R42-E356 IonicContact NE-OE2 3.85Å; R42-E356 PolarHBondContact NE-OE2 3.22Å; R42-E356 VanDerWaalsContact NE-OE2 3.14Å; R42-E356 IonicContact NH1-OE1 2.69Å; R42-E356 IonicContact NH1-OE2 2.92Å; R42-E356 PolarHBondContact NH1-OE2 2.82Å; E356-A358 VanDerWaalsContact C-N 3.29Å; E356-A358 HydrophobicContact CG-CB 4.2Å; E356-A358 PolarHBondContact O-N 3.08Å; E356-A358 VanDerWaalsContact OE1-CB 3.26Å; E356-A358 WeakPolarHBondContact OE1-CB 3.2Å; E356-A358 PolarHBondContact OE1-N 3.39Å; E356-A358 VanDerWaalsContact OE1-N 3.09Å; E356-F359 HydrophobicContact CB-CD2 3.57Å; E356-F359 HydrophobicContact CB-CE2 3.61Å; E356-F359 HydrophobicContact CB-CG 4.25Å; E356-F359 HydrophobicContact CB-CZ 4.33Å; E356-F359 HydrophobicContact CG-CD1 4.16Å; E356-F359 HydrophobicContact CG-CD2 3.66Å; E356-F359 HydrophobicContact CG-CE1 4.06Å; E356-F359 HydrophobicContact CG-CE2 3.52Å; E356-F359 HydrophobicContact CG-CG 3.97Å; E356-F359 HydrophobicContact CG-CZ 3.73Å; E356-F359 PolarHBondContact O-N 3.42Å; E356-Y360 WeakPolarHBondContact O-CD2 3.47Å; E356-F403 HydrophobicContact CB-CD1 4.33Å; E356-F403 HydrophobicContact CB-CE1 4.22Å
357	P	96.2	Very high	95.1	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.058	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-67.8	-31.2	-174	-15.1	29.6	0	0	0	112.2	T264 P265 Q267 L270 C355 F359 Y360	T264-P357 HydrophobicContact CG2-CB 3.99Å; T264-P357 WeakPolarHBondContact CG2-O 3.15Å; P265-P357 HydrophobicContact CG-CB 4.31Å; P265-P357 WeakPolarHBondContact O-CB 3.36Å; Q267-P357 HydrophobicContact CG-CG 3.95Å; Q267-P357 VanDerWaalsContact NE2-CD 3.3Å; L270-P357 HydrophobicContact CD1-CB 4.14Å; L270-P357 HydrophobicContact CD1-CG 3.84Å; C355-P357 VanDerWaalsContact O-CD 3.25Å; C355-P357 WeakPolarHBondContact O-CD 3.24Å; P357-F359 PolarHBondContact O-N 2.98Å; P357-Y360 WeakPolarHBondContact O-CB 3.02Å; P357-Y360 PolarHBondContact O-N 3.35Å
358	A	97.2	Very high	95.5	Very high	2 Å²	2	23.2 Å²	23.2	2%	0.017	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-57.3	-16.9	-179.7	0	0	0	0	0	114.6	V23 L254 R256 E356	V23-A358 HydrophobicContact CB-CB 4.38Å; V23-A358 HydrophobicContact CG1-CB 4.35Å; V23-A358 HydrophobicContact CG2-CB 3.71Å; L254-A358 VanDerWaalsContact CD2-O 3.3Å; L254-A358 WeakPolarHBondContact CD2-O 3.27Å; R256-A358 HydrophobicContact CG-CB 4.05Å; E356-A358 VanDerWaalsContact C-N 3.29Å; E356-A358 HydrophobicContact CG-CB 4.2Å; E356-A358 PolarHBondContact O-N 3.08Å; E356-A358 VanDerWaalsContact OE1-CB 3.26Å; E356-A358 WeakPolarHBondContact OE1-CB 3.2Å; E356-A358 PolarHBondContact OE1-N 3.39Å; E356-A358 VanDerWaalsContact OE1-N 3.09Å
359	F	97.5	Very high	95.7	Very high	1 Å²	1	23 Å²	23	0%	0.004	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-89.3	-5.4	178.2	-56.7	-25.6	0	0	0	113.9	V23 L25 L254 E356 P357 W385 P402 F403	V23-F359 HydrophobicContact CB-CE1 4.13Å; V23-F359 HydrophobicContact CG1-CE1 3.51Å; V23-F359 HydrophobicContact CG1-CZ 3.58Å; L25-F359 HydrophobicContact CD2-CD1 4.28Å; L25-F359 HydrophobicContact CD2-CE1 3.83Å; L25-F359 HydrophobicContact CD2-CZ 3.99Å; L25-F359 HydrophobicContact CG-CE1 4.26Å; L25-F359 HydrophobicContact CG-CZ 4.32Å; L254-F359 HydrophobicContact CB-CE1 4.36Å; L254-F359 HydrophobicContact CD2-CD1 3.6Å; L254-F359 HydrophobicContact CD2-CE1 3.94Å; E356-F359 HydrophobicContact CB-CD2 3.57Å; E356-F359 HydrophobicContact CB-CE2 3.61Å; E356-F359 HydrophobicContact CB-CG 4.25Å; E356-F359 HydrophobicContact CB-CZ 4.33Å; E356-F359 HydrophobicContact CG-CD1 4.16Å; E356-F359 HydrophobicContact CG-CD2 3.66Å; E356-F359 HydrophobicContact CG-CE1 4.06Å; E356-F359 HydrophobicContact CG-CE2 3.52Å; E356-F359 HydrophobicContact CG-CG 3.97Å; E356-F359 HydrophobicContact CG-CZ 3.73Å; E356-F359 PolarHBondContact O-N 3.42Å; P357-F359 PolarHBondContact O-N 2.98Å; F359-W385 HydrophobicContact CB-CZ2 4.27Å; F359-W385 HydrophobicContact CD1-CZ2 4.17Å; F359-W385 HydrophobicContact CG-CZ2 4.47Å; F359-W385 PolarHBondContact O-NE1 2.9Å; F359-P402 HydrophobicContact CB-CB 4.21Å; F359-P402 HydrophobicContact CB-CG 4.23Å; F359-P402 HydrophobicContact CD1-CB 4.43Å; F359-P402 HydrophobicContact CD2-CB 3.8Å; F359-P402 HydrophobicContact CD2-CG 4.28Å; F359-P402 HydrophobicContact CE2-CB 4.26Å; F359-P402 WeakPolarHBondContact CE2-O 3.41Å; F359-P402 HydrophobicContact CG-CB 3.91Å; F359-P402 HydrophobicContact CG-CG 4.4Å; F359-F403 HydrophobicContact CB-CE1 4Å; F359-F403 HydrophobicContact CB-CZ 4.11Å; F359-F403 AromaticContact CD2-CD1 3.58Å; F359-F403 HydrophobicContact CD2-CD1 3.58Å; F359-F403 AromaticContact CD2-CE1 3.59Å; F359-F403 HydrophobicContact CD2-CE1 3.59Å; F359-F403 HydrophobicContact CD2-CG 4.38Å; F359-F403 HydrophobicContact CD2-CZ 4.38Å; F359-F403 HydrophobicContact CE2-CD1 4.21Å; F359-F403 HydrophobicContact CG-CE1 4.29Å
360	Y	97.2	Very high	96	Very high	9 Å²	9	22 Å²	22	4%	0.035	13%	0.134	C	C	.	.			trans	-88.7	132.3	-179.9	-73.6	-105.3	0	0	0	111.4	P265 L270 G354 E356 P357 D362 C377 S381 F403	P265-Y360 VanDerWaalsContact CG-CB 3.47Å; P265-Y360 HydrophobicContact CG-CD1 4.31Å; P265-Y360 HydrophobicContact CG-CD2 4.23Å; P265-Y360 HydrophobicContact CG-CG 3.77Å; L270-Y360 HydrophobicContact CD1-CE2 3.87Å; L270-Y360 HydrophobicContact CD2-CD1 4.44Å; L270-Y360 HydrophobicContact CD2-CD2 4.41Å; L270-Y360 HydrophobicContact CD2-CE1 3.94Å; L270-Y360 HydrophobicContact CD2-CE2 3.9Å; G354-Y360 WeakPolarHBondContact O-CE2 3.5Å; G354-Y360 PolarHBondContact O-OH 2.82Å; E356-Y360 WeakPolarHBondContact O-CD2 3.47Å; P357-Y360 WeakPolarHBondContact O-CB 3.02Å; P357-Y360 PolarHBondContact O-N 3.35Å; Y360-D362 WeakPolarHBondContact CB-O 3.47Å; Y360-C377 HydrophobicContact CD1-CB 4.39Å; Y360-C377 HydrophobicContact CE1-CB 3.57Å; Y360-S381 WeakPolarHBondContact CA-OG 3.4Å; Y360-F403 HydrophobicContact CD2-CZ 4.4Å; Y360-F403 HydrophobicContact CE2-CE1 4.13Å; Y360-F403 AromaticContact CE2-CZ 3.8Å; Y360-F403 HydrophobicContact CE2-CZ 3.8Å
361	V	95.9	Very high	96.1	Very high	27 Å²	27	21.6 Å²	21.6	16%	0.164	13%	0.131	C	C	.	.	S	Bend	trans	-90.1	-4.9	174	-59.5	0	0	0	0	112.7	F199 E201 K380 S381 Y384	F199-V361 HydrophobicContact CD1-CG1 3.92Å; F199-V361 HydrophobicContact CE1-CG1 3.73Å; F199-V361 HydrophobicContact CZ-CG1 4.15Å; E201-V361 HydrophobicContact CB-CG2 4.5Å; V361-K380 HydrophobicContact CG2-CB 3.76Å; V361-S381 PolarHBondContact N-OG 3.5Å; V361-Y384 HydrophobicContact CG1-CD1 3.84Å; V361-Y384 HydrophobicContact CG1-CD2 4.15Å; V361-Y384 HydrophobicContact CG1-CE1 4.34Å; V361-Y384 HydrophobicContact CG1-CG 3.75Å
362	D	95.4	Very high	96.1	Very high	30 Å²	30	24.1 Å²	24.1	16%	0.16	15%	0.147	C	C	.	.	S	Bend	trans	-154.9	-177.2	-177.9	73.9	-34.6	0	0	0	111.5	P265 Y360 G364 S378 K380 S381	P265-D362 WeakPolarHBondContact CD-O 3.15Å; Y360-D362 WeakPolarHBondContact CB-O 3.47Å; D362-G364 PolarHBondContact OD2-N 3.38Å; D362-S378 VanDerWaalsContact OD1-CB 3.24Å; D362-S378 WeakPolarHBondContact OD1-CB 3.19Å; D362-S378 PolarHBondContact OD1-OG 2.91Å; D362-K380 HydrophobicContact CB-CB 4.4Å; D362-K380 HydrophobicContact CB-CD 3.81Å; D362-K380 WeakPolarHBondContact OD2-CD 3.34Å; D362-S381 PolarHBondContact OD1-OG 3.11Å
363	T	95.2	Very high	96.1	Very high	78 Å²	78	21 Å²	21	48%	0.479	14%	0.138	S	C	.	.			trans	-112.5	14.4	178.4	55.3	0	0	0	0	113.1	P265 H269	P265-T363 HydrophobicContact CB-CG2 4.18Å; H269-T363 PolarHBondContact NE2-O 3.13Å
364	G	95.2	Very high	96.2	Very high	26 Å²	26	20.2 Å²	20.2	27%	0.268	13%	0.134	S	C	.	.			trans	-68.7	166.8	-174.6	0	0	0	0	0	115	D362	D362-G364 PolarHBondContact OD2-N 3.38Å
365	A	96.4	Very high	96.2	Very high	51 Å²	51	21.2 Å²	21.2	42%	0.421	14%	0.139	S	C	.	.			trans	-67	144.5	-178.2	0	0	0	0	0	112.7	T367 S378	A365-T367 VanDerWaalsContact C-N 3.31Å; A365-T367 HydrophobicContact CB-CG2 4.06Å; A365-T367 PolarHBondContact O-N 3.32Å; A365-T367 PolarHBondContact O-OG1 2.94Å; A365-S378 WeakPolarHBondContact O-CA 3.42Å
366	P	96.8	Very high	96.4	Very high	10 Å²	10	20.1 Å²	20.1	7%	0.065	13%	0.132	C	C	.	.			trans	-77.1	79.4	-178	33.7	-37.6	0	0	0	111.2	L273 I277 L353 V376 C377	L273-P366 HydrophobicContact CB-CG 4.48Å; I277-P366 HydrophobicContact CD1-CB 4.45Å; I277-P366 HydrophobicContact CD1-CG 3.31Å; I277-P366 HydrophobicContact CG1-CG 4.25Å; L353-P366 HydrophobicContact CD2-CB 3.78Å; L353-P366 HydrophobicContact CD2-CG 3.97Å; P366-V376 HydrophobicContact CB-CG1 3.81Å; P366-V376 WeakPolarHBondContact O-CG1 3.46Å; P366-C377 CarbonylContact C-O 3.57Å; P366-C377 WeakPolarHBondContact CA-O 3.41Å
367	T	97.7	Very high	96.5	Very high	55 Å²	55	20 Å²	20	34%	0.337	13%	0.131	S	C	.	.			trans	-102.2	-7.4	-171.1	48.2	0	0	0	0	113.4	A365 C377 L417	A365-T367 VanDerWaalsContact C-N 3.31Å; A365-T367 HydrophobicContact CB-CG2 4.06Å; A365-T367 PolarHBondContact O-N 3.32Å; A365-T367 PolarHBondContact O-OG1 2.94Å; T367-C377 PolarHBondContact N-O 2.97Å; T367-L417 WeakPolarHBondContact O-CB 3.4Å; T367-L417 PolarHBondContact O-N 3.46Å
368	H	98.4	Very high	96.6	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.019	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.8	-173.6	-67.3	72.9	0	0	0	111.4	V376 C377 E379 V382 W414 S415 K416	H368-V376 CarbonylContact O-C 3.52Å; H368-V376 VanDerWaalsContact O-CA 3.26Å; H368-V376 WeakPolarHBondContact O-CA 3.48Å; H368-V376 VanDerWaalsContact O-CG1 3.29Å; H368-V376 WeakPolarHBondContact O-CG1 3.39Å; H368-C377 PolarHBondContact N-O 3.41Å; H368-C377 PolarHBondContact O-N 3.09Å; H368-E379 VanDerWaalsContact CE1-CB 3.4Å; H368-E379 WeakPolarHBondContact CE1-CB 3.46Å; H368-E379 VanDerWaalsContact CE1-CG 3.42Å; H368-E379 WeakPolarHBondContact CE1-CG 3.4Å; H368-E379 IonicContact CE1-OE2 3.58Å; H368-E379 WeakPolarHBondContact ND1-CA 3.31Å; H368-E379 WeakPolarHBondContact ND1-CB 3.42Å; H368-V382 HydrophobicContact CB-CB 4.41Å; H368-V382 HydrophobicContact CB-CG1 3.97Å; H368-V382 HydrophobicContact CB-CG2 3.55Å; H368-W414 AromaticContact CD2-CE3 3.52Å; H368-W414 AromaticContact CD2-CZ3 3.54Å; H368-W414 AromaticContact NE2-CZ3 3.81Å; H368-S415 CarbonylContact C-O 3.59Å; H368-S415 VanDerWaalsContact CA-O 3.32Å; H368-S415 WeakPolarHBondContact CA-O 3.35Å; H368-K416 VanDerWaalsContact CD2-CA 3.43Å; H368-K416 WeakPolarHBondContact CD2-CA 3.44Å; H368-K416 WeakPolarHBondContact NE2-CB 3.32Å
369	A	98.1	Very high	96.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.4	177.5	0	0	0	0	0	112.3	L314 L351 H375 V376 W414 S415 L417	L314-A369 HydrophobicContact CD2-CB 4.27Å; L351-A369 HydrophobicContact CD2-CB 3.95Å; A369-H375 CarbonylContact C-O 3.54Å; A369-H375 WeakPolarHBondContact CA-O 3.36Å; A369-V376 HydrophobicContact CB-CG2 4.18Å; A369-W414 CarbonylContact O-C 3.51Å; A369-W414 WeakPolarHBondContact O-CA 3.4Å; A369-S415 PolarHBondContact N-O 3.2Å; A369-S415 PolarHBondContact O-N 2.92Å; A369-L417 HydrophobicContact CB-CD1 4.5Å; A369-L417 HydrophobicContact CB-CD2 3.86Å; A369-L417 HydrophobicContact CB-CG 4.36Å
370	F	97.9	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141.2	170.4	-73.8	-71.4	0	0	0	111.8	C373 G374 H375 V382 W385 C401 P402 F403 L408 G413	F370-C373 PolarHBondContact O-N 3.42Å; F370-G374 PolarHBondContact O-N 3.5Å; F370-H375 HydrophobicContact CD2-CB 4.05Å; F370-H375 WeakPolarHBondContact CD2-O 3.45Å; F370-H375 PolarHBondContact N-O 3.04Å; F370-V382 HydrophobicContact CD1-CB 4.44Å; F370-V382 HydrophobicContact CD1-CG1 4.41Å; F370-V382 HydrophobicContact CD2-CG1 4.23Å; F370-V382 HydrophobicContact CE1-CB 4.04Å; F370-V382 HydrophobicContact CE1-CG1 4.19Å; F370-V382 HydrophobicContact CE2-CG1 3.99Å; F370-V382 HydrophobicContact CG-CG1 4.44Å; F370-V382 HydrophobicContact CZ-CB 4.16Å; F370-V382 HydrophobicContact CZ-CG1 3.98Å; F370-W385 HydrophobicContact CE1-CB 3.79Å; F370-W385 HydrophobicContact CZ-CB 3.72Å; F370-W385 HydrophobicContact CZ-CG 4.3Å; F370-C401 HydrophobicContact CB-CB 4.28Å; F370-C401 HydrophobicContact CD2-CB 4.35Å; F370-C401 HydrophobicContact CG-CB 4.18Å; F370-P402 HydrophobicContact CE2-CG 4.25Å; F370-P402 HydrophobicContact CZ-CG 4.2Å; F370-F403 HydrophobicContact CD2-CD2 4.28Å; F370-F403 AromaticContact CE2-CD2 3.92Å; F370-F403 HydrophobicContact CE2-CD2 3.92Å; F370-F403 AromaticContact CE2-CE2 3.83Å; F370-F403 HydrophobicContact CE2-CE2 3.83Å; F370-L408 HydrophobicContact CB-CD2 3.84Å; F370-L408 HydrophobicContact CD1-CD1 3.64Å; F370-L408 HydrophobicContact CD1-CD2 3.7Å; F370-L408 HydrophobicContact CD1-CG 4.35Å; F370-L408 HydrophobicContact CE1-CD1 3.92Å; F370-L408 HydrophobicContact CG-CD2 4.12Å; F370-G413 WeakPolarHBondContact CA-O 3.33Å
371	V	95.8	Very high	96.6	Very high	22 Å²	22	26.8 Å²	26.8	13%	0.133	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	124.3	177.7	179.6	0	0	0	0	108.8	L314 L408 G409 G413	L314-V371 HydrophobicContact CB-CG2 4.18Å; L314-V371 HydrophobicContact CD1-CB 4.49Å; L314-V371 HydrophobicContact CD1-CG1 4.31Å; L314-V371 HydrophobicContact CD1-CG2 4.32Å; L314-V371 HydrophobicContact CD2-CG2 4.16Å; L314-V371 HydrophobicContact CG-CG2 4.47Å; V371-L408 WeakPolarHBondContact O-CA 3.33Å; V371-L408 VanDerWaalsContact O-CD2 3.29Å; V371-L408 WeakPolarHBondContact O-CD2 3.39Å; V371-G409 PolarHBondContact O-N 3.31Å; V371-G413 PolarHBondContact N-O 2.99Å
372	P	93.9	Very high	96.6	Very high	54 Å²	54	25.5 Å²	25.5	35%	0.351	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	cis	-99.9	2.4	14.4	37.6	-36.1	0	0	0	115.8	L314 T406 Q407	L314-P372 VanDerWaalsContact CD1-C 3.49Å; L314-P372 WeakPolarHBondContact CD1-O 3.44Å; P372-T406 HydrophobicContact CG-CG2 3.95Å; P372-Q407 VanDerWaalsContact CD-O 3.28Å; P372-Q407 WeakPolarHBondContact CD-O 3.28Å
373	C	94.2	Very high	96.7	Very high	22 Å²	22	27 Å²	27	15%	0.149	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-14	-163.5	69.4	0	0	0	0	116.4	F370 H375 C401 T406	F370-C373 PolarHBondContact O-N 3.42Å; C373-H375 VanDerWaalsContact C-N 3.31Å; C373-H375 PolarHBondContact O-N 3.37Å; C373-H375 PolarHBondContact SG-ND1 3.15Å; C373-C401 VanDerWaalsContact SG-SG 3.65Å; C373-T406 HydrophobicContact CB-CG2 4.11Å
374	G	95.3	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.			trans	75.1	12.7	178.7	0	0	0	0	0	115.3	L351 W352 F370 V376	L351-G374 WeakPolarHBondContact CA-O 2.92Å; L351-G374 VanDerWaalsContact CD2-O 3.31Å; L351-G374 WeakPolarHBondContact CD2-O 3.23Å; W352-G374 PolarHBondContact N-O 3.12Å; W352-G374 VanDerWaalsContact N-O 3.14Å; F370-G374 PolarHBondContact O-N 3.5Å; G374-V376 PolarHBondContact O-N 3.46Å
375	H	97.1	Very high	96.8	Very high	21 Å²	21	22.2 Å²	22.2	10%	0.097	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.9	171	-83	89.5	0	0	0	110.7	W352 A369 F370 C373 F403 C404	W352-H375 CarbonylContact O-C 3.54Å; W352-H375 VanDerWaalsContact O-CA 3.27Å; W352-H375 WeakPolarHBondContact O-CA 3.46Å; A369-H375 CarbonylContact C-O 3.54Å; A369-H375 WeakPolarHBondContact CA-O 3.36Å; F370-H375 HydrophobicContact CD2-CB 4.05Å; F370-H375 WeakPolarHBondContact CD2-O 3.45Å; F370-H375 PolarHBondContact N-O 3.04Å; C373-H375 VanDerWaalsContact C-N 3.31Å; C373-H375 PolarHBondContact O-N 3.37Å; C373-H375 PolarHBondContact SG-ND1 3.15Å; H375-F403 HydrophobicContact CB-CB 4.4Å; H375-F403 HydrophobicContact CB-CD2 4.03Å; H375-C404 VanDerWaalsContact CE1-CB 3.42Å; H375-C404 WeakPolarHBondContact CE1-CB 3.47Å; H375-C404 PolarHBondContact ND1-SG 3.48Å; H375-C404 VanDerWaalsContact ND1-SG 3.4Å
376	V	97.9	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.3	-171.7	-170.7	0	0	0	0	110.8	F293 L351 W352 L353 G354 P366 H368 A369 G374 L417	F293-V376 HydrophobicContact CE1-CG2 4.21Å; F293-V376 HydrophobicContact CZ-CG2 4.22Å; L351-V376 HydrophobicContact CB-CG2 3.91Å; L351-V376 HydrophobicContact CD1-CG2 4.25Å; L351-V376 HydrophobicContact CD2-CG2 3.69Å; L351-V376 HydrophobicContact CG-CG2 4.19Å; W352-V376 PolarHBondContact O-N 3.39Å; L353-V376 HydrophobicContact CD2-CB 4.1Å; L353-V376 HydrophobicContact CD2-CG1 4.23Å; G354-V376 PolarHBondContact N-O 3Å; P366-V376 HydrophobicContact CB-CG1 3.81Å; P366-V376 WeakPolarHBondContact O-CG1 3.46Å; H368-V376 CarbonylContact O-C 3.52Å; H368-V376 VanDerWaalsContact O-CA 3.26Å; H368-V376 WeakPolarHBondContact O-CA 3.48Å; H368-V376 VanDerWaalsContact O-CG1 3.29Å; H368-V376 WeakPolarHBondContact O-CG1 3.39Å; A369-V376 HydrophobicContact CB-CG2 4.18Å; G374-V376 PolarHBondContact O-N 3.46Å; V376-L417 HydrophobicContact CB-CD1 4.48Å; V376-L417 HydrophobicContact CG1-CD1 3.63Å; V376-L417 HydrophobicContact CG2-CD1 3.95Å
377	C	97.2	Very high	96.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	-166.9	168	64.1	0	0	0	0	110.4	Y360 P366 T367 H368 V382 F403	Y360-C377 HydrophobicContact CD1-CB 4.39Å; Y360-C377 HydrophobicContact CE1-CB 3.57Å; P366-C377 CarbonylContact C-O 3.57Å; P366-C377 WeakPolarHBondContact CA-O 3.41Å; T367-C377 PolarHBondContact N-O 2.97Å; H368-C377 PolarHBondContact N-O 3.41Å; H368-C377 PolarHBondContact O-N 3.09Å; C377-V382 WeakPolarHBondContact SG-CG1 3.05Å; C377-F403 HydrophobicContact CB-CE2 4.09Å; C377-F403 HydrophobicContact CB-CZ 4.29Å
378	S	97.6	Very high	96.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	12%	0.119	C	C	.	.			trans	-67.3	157.8	-179.9	65.2	0	0	0	0	112.3	D362 A365 K380 S381 V382	D362-S378 VanDerWaalsContact OD1-CB 3.24Å; D362-S378 WeakPolarHBondContact OD1-CB 3.19Å; D362-S378 PolarHBondContact OD1-OG 2.91Å; A365-S378 WeakPolarHBondContact O-CA 3.42Å; S378-K380 VanDerWaalsContact C-N 3.27Å; S378-K380 PolarHBondContact O-N 3.26Å; S378-S381 PolarHBondContact O-N 2.79Å; S378-S381 VanDerWaalsContact OG-CB 3.26Å; S378-S381 WeakPolarHBondContact OG-CB 2.97Å; S378-S381 PolarHBondContact OG-N 3.29Å; S378-S381 PolarHBondContact OG-OG 2.94Å; S378-V382 PolarHBondContact O-N 3.35Å
379	E	97.7	Very high	96.3	Very high	77 Å²	77	25 Å²	25	36%	0.36	13%	0.129	S	C	.	.	H	α-helix	trans	-53.6	-45.4	174.4	-173.1	171.9	172.7	0	0	112.1	H368 S381 V382 K383	H368-E379 VanDerWaalsContact CE1-CB 3.4Å; H368-E379 WeakPolarHBondContact CE1-CB 3.46Å; H368-E379 VanDerWaalsContact CE1-CG 3.42Å; H368-E379 WeakPolarHBondContact CE1-CG 3.4Å; H368-E379 IonicContact CE1-OE2 3.58Å; H368-E379 WeakPolarHBondContact ND1-CA 3.31Å; H368-E379 WeakPolarHBondContact ND1-CB 3.42Å; E379-S381 PolarHBondContact O-N 3.39Å; E379-V382 WeakPolarHBondContact O-CG2 3.23Å; E379-V382 PolarHBondContact O-N 2.9Å; E379-K383 HydrophobicContact CG-CD 4.23Å; E379-K383 WeakPolarHBondContact O-CG 3.06Å; E379-K383 PolarHBondContact O-N 3.22Å; E379-K383 VanDerWaalsContact O-N 3.1Å; E379-K383 VanDerWaalsContact OE1-CE 3.29Å; E379-K383 WeakPolarHBondContact OE1-CE 3.49Å; E379-K383 IonicContact OE1-NZ 3.21Å; E379-K383 PolarHBondContact OE1-NZ 3.45Å
380	K	97.3	Very high	96.2	Very high	83 Å²	83	25.7 Å²	25.7	36%	0.361	13%	0.132	S	C	.	.	H	α-helix	trans	-63.6	-43.5	-177.6	-54.7	-168.2	168.4	-146.5	0	111.3	E201 V361 D362 S378 K383 Y384	E201-K380 HydrophobicContact CB-CB 4.15Å; E201-K380 HydrophobicContact CB-CD 4.26Å; E201-K380 HydrophobicContact CB-CG 4.5Å; E201-K380 VanDerWaalsContact CD-CG 3.44Å; E201-K380 HydrophobicContact CG-CB 3.89Å; E201-K380 HydrophobicContact CG-CD 4.23Å; E201-K380 HydrophobicContact CG-CG 4.06Å; E201-K380 WeakPolarHBondContact OE1-CG 3.49Å; E201-K380 WeakPolarHBondContact OE2-CD 3.43Å; E201-K380 WeakPolarHBondContact OE2-CE 3.26Å; E201-K380 IonicContact OE2-NZ 2.72Å; E201-K380 PolarHBondContact OE2-NZ 3.47Å; V361-K380 HydrophobicContact CG2-CB 3.76Å; D362-K380 HydrophobicContact CB-CB 4.4Å; D362-K380 HydrophobicContact CB-CD 3.81Å; D362-K380 WeakPolarHBondContact OD2-CD 3.34Å; S378-K380 VanDerWaalsContact C-N 3.27Å; S378-K380 PolarHBondContact O-N 3.26Å; K380-K383 PolarHBondContact O-N 3.38Å; K380-Y384 WeakPolarHBondContact O-CB 3.25Å; K380-Y384 PolarHBondContact O-N 2.75Å
381	S	97.4	Very high	96	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-69.1	-42.1	-179.6	-62.6	0	0	0	0	112.1	Y360 V361 D362 S378 E379 K383 W385	Y360-S381 WeakPolarHBondContact CA-OG 3.4Å; V361-S381 PolarHBondContact N-OG 3.5Å; D362-S381 PolarHBondContact OD1-OG 3.11Å; S378-S381 PolarHBondContact O-N 2.79Å; S378-S381 VanDerWaalsContact OG-CB 3.26Å; S378-S381 WeakPolarHBondContact OG-CB 2.97Å; S378-S381 PolarHBondContact OG-N 3.29Å; S378-S381 PolarHBondContact OG-OG 2.94Å; E379-S381 PolarHBondContact O-N 3.39Å; S381-K383 VanDerWaalsContact C-N 3.33Å; S381-K383 PolarHBondContact O-N 3.06Å; S381-W385 VanDerWaalsContact O-CD1 3.22Å; S381-W385 PolarHBondContact O-N 3.31Å; S381-W385 VanDerWaalsContact O-N 3.11Å
382	V	97.3	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.9	-37.7	176.8	-62	0	0	0	0	112.2	H368 F370 C377 S378 E379 S386 W414	H368-V382 HydrophobicContact CB-CB 4.41Å; H368-V382 HydrophobicContact CB-CG1 3.97Å; H368-V382 HydrophobicContact CB-CG2 3.55Å; F370-V382 HydrophobicContact CD1-CB 4.44Å; F370-V382 HydrophobicContact CD1-CG1 4.41Å; F370-V382 HydrophobicContact CD2-CG1 4.23Å; F370-V382 HydrophobicContact CE1-CB 4.04Å; F370-V382 HydrophobicContact CE1-CG1 4.19Å; F370-V382 HydrophobicContact CE2-CG1 3.99Å; F370-V382 HydrophobicContact CG-CG1 4.44Å; F370-V382 HydrophobicContact CZ-CB 4.16Å; F370-V382 HydrophobicContact CZ-CG1 3.98Å; C377-V382 WeakPolarHBondContact SG-CG1 3.05Å; S378-V382 PolarHBondContact O-N 3.35Å; E379-V382 WeakPolarHBondContact O-CG2 3.23Å; E379-V382 PolarHBondContact O-N 2.9Å; V382-S386 VanDerWaalsContact O-CB 3.25Å; V382-S386 WeakPolarHBondContact O-CB 3.4Å; V382-S386 PolarHBondContact O-N 3.46Å; V382-S386 PolarHBondContact O-OG 2.69Å; V382-W414 HydrophobicContact CB-CB 3.79Å; V382-W414 HydrophobicContact CB-CG 4.19Å; V382-W414 HydrophobicContact CG1-CB 4.5Å; V382-W414 HydrophobicContact CG2-CB 3.8Å; V382-W414 HydrophobicContact CG2-CD2 4.12Å; V382-W414 HydrophobicContact CG2-CE3 4.47Å; V382-W414 HydrophobicContact CG2-CG 3.83Å
383	K	96.1	Very high	95.1	Very high	61 Å²	61	31 Å²	31	27%	0.265	17%	0.171	S	C	.	.	H	α-helix	trans	-65.1	-51.6	177.5	-75.7	178.7	-176	172.4	0	110.9	E379 K380 S381 W385 S386 E387 W414	E379-K383 HydrophobicContact CG-CD 4.23Å; E379-K383 WeakPolarHBondContact O-CG 3.06Å; E379-K383 PolarHBondContact O-N 3.22Å; E379-K383 VanDerWaalsContact O-N 3.1Å; E379-K383 VanDerWaalsContact OE1-CE 3.29Å; E379-K383 WeakPolarHBondContact OE1-CE 3.49Å; E379-K383 IonicContact OE1-NZ 3.21Å; E379-K383 PolarHBondContact OE1-NZ 3.45Å; K380-K383 PolarHBondContact O-N 3.38Å; S381-K383 VanDerWaalsContact C-N 3.33Å; S381-K383 PolarHBondContact O-N 3.06Å; K383-W385 PolarHBondContact O-N 3.48Å; K383-S386 PolarHBondContact O-N 3.24Å; K383-S386 VanDerWaalsContact O-N 3.14Å; K383-E387 PolarHBondContact O-N 3.04Å; K383-W414 HydrophobicContact CD-CZ2 4.4Å; K383-W414 HydrophobicContact CG-CZ2 3.94Å
384	Y	96.8	Very high	94.5	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-51	-57.6	177	172.7	-95.2	0	0	0	111.3	P195 F199 M200 V361 K380 S386 E387 I388	P195-Y384 VanDerWaalsContact CG-OH 3.27Å; P195-Y384 WeakPolarHBondContact CG-OH 3.47Å; F199-Y384 HydrophobicContact CD2-CE1 4.05Å; F199-Y384 AromaticContact CD2-CZ 3.72Å; F199-Y384 VanDerWaalsContact CD2-OH 3.25Å; F199-Y384 WeakPolarHBondContact CD2-OH 3.35Å; F199-Y384 AromaticContact CE2-CE1 3.56Å; F199-Y384 HydrophobicContact CE2-CE1 3.56Å; F199-Y384 AromaticContact CE2-CZ 3.72Å; F199-Y384 WeakPolarHBondContact CE2-OH 3.44Å; F199-Y384 HydrophobicContact CZ-CE1 4.13Å; M200-Y384 VanDerWaalsContact O-CD2 3.26Å; M200-Y384 WeakPolarHBondContact O-CD2 3.03Å; V361-Y384 HydrophobicContact CG1-CD1 3.84Å; V361-Y384 HydrophobicContact CG1-CD2 4.15Å; V361-Y384 HydrophobicContact CG1-CE1 4.34Å; V361-Y384 HydrophobicContact CG1-CG 3.75Å; K380-Y384 WeakPolarHBondContact O-CB 3.25Å; K380-Y384 PolarHBondContact O-N 2.75Å; Y384-S386 PolarHBondContact O-N 3.2Å; Y384-E387 PolarHBondContact O-N 2.83Å; Y384-E387 VanDerWaalsContact O-N 3.07Å; Y384-I388 HydrophobicContact CD1-CG1 4.28Å; Y384-I388 HydrophobicContact CD2-CG1 4.37Å; Y384-I388 HydrophobicContact CE1-CG1 3.88Å; Y384-I388 HydrophobicContact CE2-CD1 3.98Å; Y384-I388 HydrophobicContact CE2-CG1 3.98Å; Y384-I388 WeakPolarHBondContact O-CG1 3.38Å; Y384-I388 PolarHBondContact O-N 3.39Å
385	W	97.1	Very high	93.9	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-69.8	-19	-176.4	-73.9	108.2	0	0	0	114.6	L25 F199 L245 L254 F359 F370 S381 K383 E387 I388 P402	L25-W385 HydrophobicContact CD2-CH2 3.67Å; L25-W385 HydrophobicContact CD2-CZ2 4.32Å; L25-W385 HydrophobicContact CD2-CZ3 3.86Å; F199-W385 HydrophobicContact CE2-CH2 4.34Å; F199-W385 AromaticContact CE2-CZ2 3.88Å; F199-W385 HydrophobicContact CE2-CZ2 3.88Å; F199-W385 AromaticContact CZ-CZ2 3.87Å; F199-W385 HydrophobicContact CZ-CZ2 3.87Å; L245-W385 HydrophobicContact CD2-CH2 4.11Å; L245-W385 HydrophobicContact CD2-CZ3 4.25Å; L254-W385 HydrophobicContact CD1-CH2 4.46Å; L254-W385 HydrophobicContact CD2-CH2 4.33Å; L254-W385 HydrophobicContact CD2-CZ2 4.2Å; F359-W385 HydrophobicContact CB-CZ2 4.27Å; F359-W385 HydrophobicContact CD1-CZ2 4.17Å; F359-W385 HydrophobicContact CG-CZ2 4.47Å; F359-W385 PolarHBondContact O-NE1 2.9Å; F370-W385 HydrophobicContact CE1-CB 3.79Å; F370-W385 HydrophobicContact CZ-CB 3.72Å; F370-W385 HydrophobicContact CZ-CG 4.3Å; S381-W385 VanDerWaalsContact O-CD1 3.22Å; S381-W385 PolarHBondContact O-N 3.31Å; S381-W385 VanDerWaalsContact O-N 3.11Å; K383-W385 PolarHBondContact O-N 3.48Å; W385-E387 VanDerWaalsContact C-N 3.31Å; W385-I388 HydrophobicContact CE3-CB 4.49Å; W385-P402 HydrophobicContact CB-CG 4.31Å; W385-P402 HydrophobicContact CD2-CB 3.73Å; W385-P402 HydrophobicContact CD2-CG 3.77Å; W385-P402 HydrophobicContact CE3-CB 4.04Å; W385-P402 HydrophobicContact CE3-CG 4.47Å; W385-P402 HydrophobicContact CG-CB 4.18Å; W385-P402 HydrophobicContact CG-CG 3.65Å; W385-P402 HydrophobicContact CH2-CB 4.3Å; W385-P402 HydrophobicContact CZ2-CB 4Å; W385-P402 HydrophobicContact CZ3-CB 4.31Å
386	S	95.5	Very high	93.5	Very high	27 Å²	27	40.7 Å²	40.7	19%	0.189	22%	0.224	C	C	.	.	H	α-helix	trans	-76.9	-19.9	173.8	-61.5	0	0	0	0	113.1	V382 K383 Y384 A399	V382-S386 VanDerWaalsContact O-CB 3.25Å; V382-S386 WeakPolarHBondContact O-CB 3.4Å; V382-S386 PolarHBondContact O-N 3.46Å; V382-S386 PolarHBondContact O-OG 2.69Å; K383-S386 PolarHBondContact O-N 3.24Å; K383-S386 VanDerWaalsContact O-N 3.14Å; Y384-S386 PolarHBondContact O-N 3.2Å; S386-A399 VanDerWaalsContact O-CB 3.25Å; S386-A399 WeakPolarHBondContact O-CB 3.5Å
387	E	93.7	Very high	93.3	Very high	117 Å²	117	44.2 Å²	44.2	55%	0.547	24%	0.239	S	C	.	.	H	α-helix	trans	-93.3	-25.7	176.7	-66.4	-173.3	-171.4	0	0	112.5	P205 K383 Y384 W385 P389	P205-E387 HydrophobicContact CG-CB 4.31Å; P205-E387 WeakPolarHBondContact CG-O 3.37Å; K383-E387 PolarHBondContact O-N 3.04Å; Y384-E387 PolarHBondContact O-N 2.83Å; Y384-E387 VanDerWaalsContact O-N 3.07Å; W385-E387 VanDerWaalsContact C-N 3.31Å; E387-P389 VanDerWaalsContact O-CD 3.25Å; E387-P389 WeakPolarHBondContact O-CD 3.38Å
388	I	94.7	Very high	93.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.255	C	S	.	.			trans	-78	113.9	-176	-61.9	-62.2	0	0	0	111.6	M193 P195 P205 L245 Y384 W385 L390 A399	M193-I388 HydrophobicContact CE-CD1 4.33Å; M193-I388 HydrophobicContact CE-CG2 4.1Å; M193-I388 HydrophobicContact SD-CG2 4.41Å; P195-I388 HydrophobicContact CB-CD1 4.46Å; P205-I388 HydrophobicContact CG-CD1 4.39Å; L245-I388 HydrophobicContact CD1-CG2 3.52Å; Y384-I388 HydrophobicContact CD1-CG1 4.28Å; Y384-I388 HydrophobicContact CD2-CG1 4.37Å; Y384-I388 HydrophobicContact CE1-CG1 3.88Å; Y384-I388 HydrophobicContact CE2-CD1 3.98Å; Y384-I388 HydrophobicContact CE2-CG1 3.98Å; Y384-I388 WeakPolarHBondContact O-CG1 3.38Å; Y384-I388 PolarHBondContact O-N 3.39Å; W385-I388 HydrophobicContact CE3-CB 4.49Å; I388-L390 HydrophobicContact CG2-CD2 4.22Å; I388-A399 WeakPolarHBondContact O-CA 3.45Å
389	P	94.4	Very high	93	Very high	33 Å²	33	48.4 Å²	48.4	21%	0.214	26%	0.262	C	S	.	.			trans	-85.2	127.4	-177.7	35.9	-34.2	0	0	0	110.7	P205 W208 E387 F397	P205-P389 HydrophobicContact CB-CG 4.33Å; W208-P389 PolarHBondContact NE1-O 2.85Å; E387-P389 VanDerWaalsContact O-CD 3.25Å; E387-P389 WeakPolarHBondContact O-CD 3.38Å; P389-F397 HydrophobicContact CB-CB 3.94Å
390	L	95.5	Very high	93	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.8	178.1	-57.4	-177.5	0	0	0	111	W208 L245 T252 I388 H392 F397 H398 A400	W208-L390 HydrophobicContact CZ2-CD2 4.29Å; L245-L390 HydrophobicContact CD1-CD2 3.51Å; T252-L390 HydrophobicContact CG2-CD2 4.39Å; I388-L390 HydrophobicContact CG2-CD2 4.22Å; L390-H392 PolarHBondContact O-N 2.66Å; L390-F397 CarbonylContact O-C 3.47Å; L390-F397 WeakPolarHBondContact O-CA 3.49Å; L390-H398 PolarHBondContact N-O 2.76Å; L390-H398 PolarHBondContact O-N 2.77Å; L390-A400 HydrophobicContact CD1-CB 3.99Å
391	P	93.6	Very high	93	Very high	24 Å²	24	41.3 Å²	41.3	16%	0.156	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	133.5	178.1	-23.8	35.3	0	0	0	111.7	L191 W208 D247 F397	L191-P391 HydrophobicContact CD1-CG 4.49Å; W208-P391 HydrophobicContact CD2-CG 4.14Å; W208-P391 HydrophobicContact CE3-CG 4.38Å; W208-P391 HydrophobicContact CH2-CG 4.14Å; W208-P391 VanDerWaalsContact CZ2-CD 3.44Å; W208-P391 HydrophobicContact CZ2-CG 3.95Å; W208-P391 HydrophobicContact CZ3-CG 4.37Å; D247-P391 HydrophobicContact CB-CG 3.8Å; P391-F397 HydrophobicContact CB-CD1 4.34Å; P391-F397 HydrophobicContact CB-CE1 4.13Å; P391-F397 HydrophobicContact CG-CD1 4.16Å; P391-F397 HydrophobicContact CG-CE1 3.88Å
392	H	87.1	Confident	93	Very high	98 Å²	98	41.3 Å²	41.3	45%	0.454	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	120.5	177.6	-175.1	82.9	0	0	0	110.1	L390 A396 H398	L390-H392 PolarHBondContact O-N 2.66Å; H392-A396 HydrophobicContact CB-CB 4.41Å; H392-A396 PolarHBondContact N-O 3.46Å; H392-A396 CarbonylContact O-C 3.55Å; H392-A396 WeakPolarHBondContact O-CB 3.3Å; H392-A396 PolarHBondContact O-N 2.84Å; H392-A396 VanDerWaalsContact O-O 3.07Å; H392-H398 AromaticContact CD2-ND1 3.78Å; H392-H398 AromaticContact CG-ND1 3.65Å
393	G	83.7	Confident	93	Very high	66 Å²	66	41.4 Å²	41.4	68%	0.68	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	-139.1	-174	0	0	0	0	0	112
394	T	81.2	Confident	92.9	Very high	79 Å²	79	38.8 Å²	38.8	49%	0.485	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-13.4	-172	57	0	0	0	0	114.9	R224	R224-T394 WeakPolarHBondContact CB-O 3.47Å; R224-T394 PolarHBondContact N-O 3.16Å
395	H	82.4	Confident	92.8	Very high	141 Å²	141	39.9 Å²	39.9	65%	0.653	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-154.7	-2.6	-171.7	57.5	-82	0	0	0	114.7
396	A	89.2	Confident	92.7	Very high	27 Å²	27	41.2 Å²	41.2	22%	0.223	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	156.5	-178.1	0	0	0	0	0	111.3	H392	H392-A396 HydrophobicContact CB-CB 4.41Å; H392-A396 PolarHBondContact N-O 3.46Å; H392-A396 CarbonylContact O-C 3.55Å; H392-A396 WeakPolarHBondContact O-CB 3.3Å; H392-A396 PolarHBondContact O-N 2.84Å; H392-A396 VanDerWaalsContact O-O 3.07Å
397	F	93.6	Very high	92.7	Very high	74 Å²	74	43.9 Å²	43.9	33%	0.325	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	128.8	173.4	-60.1	-99.9	0	0	0	109.5	W208 L220 P389 L390 P391	W208-F397 HydrophobicContact CB-CE1 4.03Å; W208-F397 HydrophobicContact CB-CZ 4.44Å; W208-F397 AromaticContact CD1-CD1 3.47Å; W208-F397 VanDerWaalsContact CD1-CD1 3.47Å; W208-F397 AromaticContact CD1-CE1 3.32Å; W208-F397 HydrophobicContact CD2-CE1 4.29Å; W208-F397 HydrophobicContact CG-CD1 4.21Å; W208-F397 AromaticContact CG-CE1 3.61Å; W208-F397 HydrophobicContact CG-CE1 3.61Å; W208-F397 HydrophobicContact CG-CZ 4.47Å; W208-F397 AromaticContact NE1-CD1 3.69Å; W208-F397 AromaticContact NE1-CE1 3.86Å; L220-F397 HydrophobicContact CD1-CE1 4.43Å; L220-F397 HydrophobicContact CD1-CE2 4.01Å; L220-F397 HydrophobicContact CD1-CZ 3.47Å; L220-F397 VanDerWaalsContact CD1-CZ 3.47Å; P389-F397 HydrophobicContact CB-CB 3.94Å; L390-F397 CarbonylContact O-C 3.47Å; L390-F397 WeakPolarHBondContact O-CA 3.49Å; P391-F397 HydrophobicContact CB-CD1 4.34Å; P391-F397 HydrophobicContact CB-CE1 4.13Å; P391-F397 HydrophobicContact CG-CD1 4.16Å; P391-F397 HydrophobicContact CG-CE1 3.88Å
398	H	93.9	Very high	92.7	Very high	71 Å²	71	38.8 Å²	38.8	33%	0.329	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.2	-178.7	-57.2	113.9	0	0	0	110.1	L390 H392 Q407	L390-H398 PolarHBondContact N-O 2.76Å; L390-H398 PolarHBondContact O-N 2.77Å; H392-H398 AromaticContact CD2-ND1 3.78Å; H392-H398 AromaticContact CG-ND1 3.65Å; H398-Q407 HydrophobicContact CB-CG 3.86Å; H398-Q407 PolarHBondContact CD2-NE2 3.03Å; H398-Q407 VanDerWaalsContact CD2-NE2 3.31Å; H398-Q407 PolarHBondContact ND1-NE2 2.85Å
399	A	95.7	Very high	92.3	Very high	18 Å²	18	40 Å²	40	15%	0.149	24%	0.237	C	C	.	.			trans	-64.1	142.1	167.7	0	0	0	0	0	109.7	S386 I388 L408	S386-A399 VanDerWaalsContact O-CB 3.25Å; S386-A399 WeakPolarHBondContact O-CB 3.5Å; I388-A399 WeakPolarHBondContact O-CA 3.45Å; A399-L408 HydrophobicContact CB-CB 4.39Å; A399-L408 HydrophobicContact CB-CD1 4.15Å; A399-L408 PolarHBondContact O-N 3.24Å
400	A	96.5	Very high	91.7	Very high	11 Å²	11	45 Å²	45	9%	0.091	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-138.9	152.9	177.5	0	0	0	0	0	110	L390 T406	L390-A400 HydrophobicContact CD1-CB 3.99Å; A400-T406 CarbonylContact C-O 3.54Å; A400-T406 VanDerWaalsContact CA-O 3.32Å; A400-T406 WeakPolarHBondContact CA-O 3.28Å
401	C	97.6	Very high	91	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	31%	0.307	C	S	.	.			trans	-60.7	123.9	172	174.9	0	0	0	0	109.4	F370 C373 F403 C404 A405 T406 L408	F370-C401 HydrophobicContact CB-CB 4.28Å; F370-C401 HydrophobicContact CD2-CB 4.35Å; F370-C401 HydrophobicContact CG-CB 4.18Å; C373-C401 VanDerWaalsContact SG-SG 3.65Å; C401-F403 PolarHBondContact O-N 2.98Å; C401-F403 PolarHBondContact SG-N 3.45Å; C401-F403 VanDerWaalsContact SG-N 3.44Å; C401-C404 PolarHBondContact O-N 2.81Å; C401-C404 VanDerWaalsContact SG-SG 3.7Å; C401-A405 VanDerWaalsContact O-CA 3.24Å; C401-A405 WeakPolarHBondContact O-CA 3.5Å; C401-A405 PolarHBondContact O-N 3.06Å; C401-T406 PolarHBondContact N-O 2.73Å; C401-L408 HydrophobicContact CB-CD2 4.05Å
402	P	97.5	Very high	90.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.5	-178.8	31.2	-39.5	0	0	0	112.2	L25 G26 F359 F370 W385	L25-P402 HydrophobicContact CD2-CB 3.46Å; L25-P402 VanDerWaalsContact CD2-CB 3.46Å; G26-P402 PolarHBondContact N-O 3.42Å; F359-P402 HydrophobicContact CB-CB 4.21Å; F359-P402 HydrophobicContact CB-CG 4.23Å; F359-P402 HydrophobicContact CD1-CB 4.43Å; F359-P402 HydrophobicContact CD2-CB 3.8Å; F359-P402 HydrophobicContact CD2-CG 4.28Å; F359-P402 HydrophobicContact CE2-CB 4.26Å; F359-P402 WeakPolarHBondContact CE2-O 3.41Å; F359-P402 HydrophobicContact CG-CB 3.91Å; F359-P402 HydrophobicContact CG-CG 4.4Å; F370-P402 HydrophobicContact CE2-CG 4.25Å; F370-P402 HydrophobicContact CZ-CG 4.2Å; W385-P402 HydrophobicContact CB-CG 4.31Å; W385-P402 HydrophobicContact CD2-CB 3.73Å; W385-P402 HydrophobicContact CD2-CG 3.77Å; W385-P402 HydrophobicContact CE3-CB 4.04Å; W385-P402 HydrophobicContact CE3-CG 4.47Å; W385-P402 HydrophobicContact CG-CB 4.18Å; W385-P402 HydrophobicContact CG-CG 3.65Å; W385-P402 HydrophobicContact CH2-CB 4.3Å; W385-P402 HydrophobicContact CZ2-CB 4Å; W385-P402 HydrophobicContact CZ3-CB 4.31Å
403	F	97	Very high	91	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-32	-177.5	-57.4	-69.3	0	0	0	113.3	G26 Y27 N28 E356 F359 Y360 F370 H375 C377 C401	G26-F403 CarbonylContact C-O 3.56Å; G26-F403 WeakPolarHBondContact CA-O 3.32Å; Y27-F403 CarbonylContact C-O 3.54Å; Y27-F403 PolarHBondContact N-O 3.18Å; Y27-F403 VanDerWaalsContact N-O 3.1Å; N28-F403 HydrophobicContact CB-CB 4.08Å; N28-F403 WeakPolarHBondContact CB-O 3.47Å; N28-F403 PolarHBondContact N-O 2.88Å; N28-F403 WeakPolarHBondContact OD1-CD1 3.31Å; E356-F403 HydrophobicContact CB-CD1 4.33Å; E356-F403 HydrophobicContact CB-CE1 4.22Å; F359-F403 HydrophobicContact CB-CE1 4Å; F359-F403 HydrophobicContact CB-CZ 4.11Å; F359-F403 AromaticContact CD2-CD1 3.58Å; F359-F403 HydrophobicContact CD2-CD1 3.58Å; F359-F403 AromaticContact CD2-CE1 3.59Å; F359-F403 HydrophobicContact CD2-CE1 3.59Å; F359-F403 HydrophobicContact CD2-CG 4.38Å; F359-F403 HydrophobicContact CD2-CZ 4.38Å; F359-F403 HydrophobicContact CE2-CD1 4.21Å; F359-F403 HydrophobicContact CG-CE1 4.29Å; Y360-F403 HydrophobicContact CD2-CZ 4.4Å; Y360-F403 HydrophobicContact CE2-CE1 4.13Å; Y360-F403 AromaticContact CE2-CZ 3.8Å; Y360-F403 HydrophobicContact CE2-CZ 3.8Å; F370-F403 HydrophobicContact CD2-CD2 4.28Å; F370-F403 AromaticContact CE2-CD2 3.92Å; F370-F403 HydrophobicContact CE2-CD2 3.92Å; F370-F403 AromaticContact CE2-CE2 3.83Å; F370-F403 HydrophobicContact CE2-CE2 3.83Å; H375-F403 HydrophobicContact CB-CB 4.4Å; H375-F403 HydrophobicContact CB-CD2 4.03Å; C377-F403 HydrophobicContact CB-CE2 4.09Å; C377-F403 HydrophobicContact CB-CZ 4.29Å; C401-F403 PolarHBondContact O-N 2.98Å; C401-F403 PolarHBondContact SG-N 3.45Å; C401-F403 VanDerWaalsContact SG-N 3.44Å
404	C	94.9	Very high	91.6	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.041	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.4	4	-175.8	68.4	0	0	0	0	115.4	G26 G122 H375 C401 T406	G26-C404 WeakPolarHBondContact O-CA 3.44Å; G122-C404 PolarHBondContact N-O 2.89Å; H375-C404 VanDerWaalsContact CE1-CB 3.42Å; H375-C404 WeakPolarHBondContact CE1-CB 3.47Å; H375-C404 PolarHBondContact ND1-SG 3.48Å; H375-C404 VanDerWaalsContact ND1-SG 3.4Å; C401-C404 PolarHBondContact O-N 2.81Å; C401-C404 VanDerWaalsContact SG-SG 3.7Å; C404-T406 PolarHBondContact O-N 3.32Å; C404-T406 PolarHBondContact SG-OG1 3.17Å
405	A	94.8	Very high	92.4	Very high	27 Å²	27	46.1 Å²	46.1	22%	0.223	26%	0.263	C	S	.	.			trans	57.1	13.2	-178.6	0	0	0	0	0	115.2	T119 A121 C401 Q407	T119-A405 HydrophobicContact CG2-CB 3.54Å; A121-A405 HydrophobicContact CB-CB 4.45Å; A121-A405 WeakPolarHBondContact CB-O 3.41Å; C401-A405 VanDerWaalsContact O-CA 3.24Å; C401-A405 WeakPolarHBondContact O-CA 3.5Å; C401-A405 PolarHBondContact O-N 3.06Å; A405-Q407 PolarHBondContact O-N 3.18Å
406	T	94.6	Very high	93.1	Very high	28 Å²	28	45.6 Å²	45.6	17%	0.172	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-64.8	126.6	170.5	-56.5	0	0	0	0	109.2	G122 P372 C373 A400 C401 C404 L408	G122-T406 WeakPolarHBondContact CA-OG1 3.28Å; P372-T406 HydrophobicContact CG-CG2 3.95Å; C373-T406 HydrophobicContact CB-CG2 4.11Å; A400-T406 CarbonylContact C-O 3.54Å; A400-T406 VanDerWaalsContact CA-O 3.32Å; A400-T406 WeakPolarHBondContact CA-O 3.28Å; C401-T406 PolarHBondContact N-O 2.73Å; C404-T406 PolarHBondContact O-N 3.32Å; C404-T406 PolarHBondContact SG-OG1 3.17Å; T406-L408 PolarHBondContact O-N 3.14Å
407	Q	94.4	Very high	93.6	Very high	83 Å²	83	45 Å²	45	39%	0.388	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-58.6	133.8	174.9	-177.1	174.1	-14.1	0	0	110.6	P372 H398 A405	P372-Q407 VanDerWaalsContact CD-O 3.28Å; P372-Q407 WeakPolarHBondContact CD-O 3.28Å; H398-Q407 HydrophobicContact CB-CG 3.86Å; H398-Q407 PolarHBondContact CD2-NE2 3.03Å; H398-Q407 VanDerWaalsContact CD2-NE2 3.31Å; H398-Q407 PolarHBondContact ND1-NE2 2.85Å; A405-Q407 PolarHBondContact O-N 3.18Å
408	L	94.8	Very high	93.7	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.058	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-83.7	153.9	-179.1	-59.4	179.3	0	0	0	111.4	F370 V371 A399 C401 T406	F370-L408 HydrophobicContact CB-CD2 3.84Å; F370-L408 HydrophobicContact CD1-CD1 3.64Å; F370-L408 HydrophobicContact CD1-CD2 3.7Å; F370-L408 HydrophobicContact CD1-CG 4.35Å; F370-L408 HydrophobicContact CE1-CD1 3.92Å; F370-L408 HydrophobicContact CG-CD2 4.12Å; V371-L408 WeakPolarHBondContact O-CA 3.33Å; V371-L408 VanDerWaalsContact O-CD2 3.29Å; V371-L408 WeakPolarHBondContact O-CD2 3.39Å; A399-L408 HydrophobicContact CB-CB 4.39Å; A399-L408 HydrophobicContact CB-CD1 4.15Å; A399-L408 PolarHBondContact O-N 3.24Å; C401-L408 HydrophobicContact CB-CD2 4.05Å; T406-L408 PolarHBondContact O-N 3.14Å
409	G	86.6	Confident	93.8	Very high	25 Å²	25	44 Å²	44	26%	0.258	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-61.3	132.5	176.6	0	0	0	0	0	111.9	V371 S411 Q412 G413	V371-G409 PolarHBondContact O-N 3.31Å; G409-S411 VanDerWaalsContact C-N 3.3Å; G409-S411 PolarHBondContact O-N 3.39Å; G409-Q412 CarbonylContact O-C 3.51Å; G409-Q412 PolarHBondContact O-N 3.23Å; G409-G413 PolarHBondContact O-N 3.29Å
410	P	80.1	Confident	93.6	Very high	138 Å²	138	46.5 Å²	46.5	90%	0.896	26%	0.257	S	S	*	.	S	Bend	trans	-69.5	-25.5	-174.5	26.8	-34.7	0	0	0	113.7
411	S	81.6	Confident	92.9	Very high	124 Å²	124	48 Å²	48	87%	0.867	27%	0.274	S	S	*	.	S	Bend	trans	-92.1	-33.5	177.8	52.4	0	0	0	0	113.1	G409	G409-S411 VanDerWaalsContact C-N 3.3Å; G409-S411 PolarHBondContact O-N 3.39Å
412	Q	86.6	Confident	91.8	Very high	96 Å²	96	51.5 Å²	51.5	45%	0.449	30%	0.297	S	S	.	.			trans	-152.5	104.8	-179.1	-177	172	4.9	0	0	109.6	G409 W414	G409-Q412 CarbonylContact O-C 3.51Å; G409-Q412 PolarHBondContact O-N 3.23Å; Q412-W414 WeakPolarHBondContact CG-O 3.44Å; Q412-W414 PolarHBondContact NE2-O 3.4Å
413	G	94.1	Very high	90.1	Very high	8 Å²	8	58.2 Å²	58.2	8%	0.082	34%	0.338	C	S	.	.	S	Bend	trans	-85.2	-7.9	-179	0	0	0	0	0	114.8	F370 V371 G409	F370-G413 WeakPolarHBondContact CA-O 3.33Å; V371-G413 PolarHBondContact N-O 2.99Å; G409-G413 PolarHBondContact O-N 3.29Å
414	W	96.6	Very high	87.9	Confident	73 Å²	73	69.2 Å²	69.2	28%	0.277	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	159.9	-175.5	58.4	-94.9	0	0	0	113	H368 A369 V382 K383 Q412	H368-W414 AromaticContact CD2-CE3 3.52Å; H368-W414 AromaticContact CD2-CZ3 3.54Å; H368-W414 AromaticContact NE2-CZ3 3.81Å; A369-W414 CarbonylContact O-C 3.51Å; A369-W414 WeakPolarHBondContact O-CA 3.4Å; V382-W414 HydrophobicContact CB-CB 3.79Å; V382-W414 HydrophobicContact CB-CG 4.19Å; V382-W414 HydrophobicContact CG1-CB 4.5Å; V382-W414 HydrophobicContact CG2-CB 3.8Å; V382-W414 HydrophobicContact CG2-CD2 4.12Å; V382-W414 HydrophobicContact CG2-CE3 4.47Å; V382-W414 HydrophobicContact CG2-CG 3.83Å; K383-W414 HydrophobicContact CD-CZ2 4.4Å; K383-W414 HydrophobicContact CG-CZ2 3.94Å; Q412-W414 WeakPolarHBondContact CG-O 3.44Å; Q412-W414 PolarHBondContact NE2-O 3.4Å
415	S	97.3	Very high	87.5	Confident	5 Å²	5	72.4 Å²	72.4	4%	0.035	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137	179.7	-166.3	0	0	0	0	111.1	L314 H368 A369	L314-S415 VanDerWaalsContact O-CB 3.24Å; L314-S415 WeakPolarHBondContact O-CB 3.44Å; L314-S415 PolarHBondContact O-OG 3.04Å; H368-S415 CarbonylContact C-O 3.59Å; H368-S415 VanDerWaalsContact CA-O 3.32Å; H368-S415 WeakPolarHBondContact CA-O 3.35Å; A369-S415 PolarHBondContact N-O 3.2Å; A369-S415 PolarHBondContact O-N 2.92Å
416	K	98.1	Very high	87.1	Confident	131 Å²	131	74.7 Å²	74.7	57%	0.57	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.4	173.9	-177.6	174.8	180	176	0	109.4	G317 H368	G317-K416 WeakPolarHBondContact CA-O 3.32Å; H368-K416 VanDerWaalsContact CD2-CA 3.43Å; H368-K416 WeakPolarHBondContact CD2-CA 3.44Å; H368-K416 WeakPolarHBondContact NE2-CB 3.32Å
417	L	98.3	Very high	86.7	Confident	13 Å²	13	77.3 Å²	77.3	7%	0.068	44%	0.438	C	S	.	.			trans	-81.5	137.5	179.9	-59.7	-178.1	0	0	0	111.5	V312 V319 L351 T367 A369 V376 F419	V312-L417 HydrophobicContact CB-CD2 4.34Å; V312-L417 HydrophobicContact CG2-CD2 3.72Å; V319-L417 HydrophobicContact CG2-CB 4.07Å; V319-L417 HydrophobicContact CG2-CD2 4.1Å; L351-L417 HydrophobicContact CD1-CD1 3.84Å; L351-L417 HydrophobicContact CD1-CD2 4.05Å; L351-L417 HydrophobicContact CD2-CD2 4.24Å; T367-L417 WeakPolarHBondContact O-CB 3.4Å; T367-L417 PolarHBondContact O-N 3.46Å; A369-L417 HydrophobicContact CB-CD1 4.5Å; A369-L417 HydrophobicContact CB-CD2 3.86Å; A369-L417 HydrophobicContact CB-CG 4.36Å; V376-L417 HydrophobicContact CB-CD1 4.48Å; V376-L417 HydrophobicContact CG1-CD1 3.63Å; V376-L417 HydrophobicContact CG2-CD1 3.95Å; L417-F419 HydrophobicContact CB-CD2 4.25Å; L417-F419 HydrophobicContact CB-CE2 3.73Å; L417-F419 HydrophobicContact CB-CZ 4.47Å; L417-F419 HydrophobicContact CD1-CE2 3.96Å; L417-F419 HydrophobicContact CD1-CZ 4.06Å
418	I	97.3	Very high	86.3	Confident	66 Å²	66	77 Å²	77	34%	0.338	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-122.4	97.1	178.5	-53.2	173.3	0	0	0	107.6	G317 V319	G317-I418 PolarHBondContact O-N 3.29Å; V319-I418 PolarHBondContact N-O 3.36Å
419	F	95	Very high	85.7	Confident	60 Å²	60	81.1 Å²	81.1	26%	0.263	47%	0.465	S	S	.	.			trans	-84.1	147	173.6	-66.7	-89.9	0	0	0	110.5	P282 F293 V319 L417	P282-F419 HydrophobicContact CB-CB 4.2Å; P282-F419 HydrophobicContact CB-CD1 3.61Å; P282-F419 HydrophobicContact CB-CE1 4.41Å; P282-F419 HydrophobicContact CB-CG 4.27Å; P282-F419 HydrophobicContact CG-CD1 4.2Å; F293-F419 HydrophobicContact CE2-CE1 4.13Å; F293-F419 AromaticContact CE2-CZ 3.85Å; F293-F419 HydrophobicContact CE2-CZ 3.85Å; F293-F419 HydrophobicContact CZ-CZ 4.21Å; V319-F419 HydrophobicContact CB-CD1 3.93Å; V319-F419 HydrophobicContact CB-CE1 4.12Å; V319-F419 HydrophobicContact CB-CG 4.38Å; V319-F419 HydrophobicContact CG1-CD1 3.75Å; V319-F419 HydrophobicContact CG1-CE1 3.61Å; V319-F419 HydrophobicContact CG1-CZ 4.39Å; V319-F419 HydrophobicContact CG2-CD1 4.11Å; V319-F419 HydrophobicContact CG2-CD2 4.4Å; V319-F419 HydrophobicContact CG2-CE1 4.03Å; V319-F419 HydrophobicContact CG2-CE2 4.29Å; V319-F419 HydrophobicContact CG2-CG 4.31Å; V319-F419 HydrophobicContact CG2-CZ 4.1Å; L417-F419 HydrophobicContact CB-CD2 4.25Å; L417-F419 HydrophobicContact CB-CE2 3.73Å; L417-F419 HydrophobicContact CB-CZ 4.47Å; L417-F419 HydrophobicContact CD1-CE2 3.96Å; L417-F419 HydrophobicContact CD1-CZ 4.06Å
420	Q	91.6	Very high	85.7	Confident	69 Å²	69	84.9 Å²	84.9	32%	0.322	48%	0.479	S	S	.	.	B	Isolated β-bridge	trans	-91.1	136.7	166.7	-58.9	-52.8	-57.1	0	0	110	P282 Q283 P285 M341	P282-Q420 CarbonylContact C-O 3.54Å; P282-Q420 WeakPolarHBondContact CA-O 3.06Å; Q283-Q420 PolarHBondContact N-O 2.81Å; P285-Q420 HydrophobicContact CB-CG 4.42Å; P285-Q420 HydrophobicContact CG-CG 3.67Å; M341-Q420 HydrophobicContact SD-CG 4.33Å
421	G	82.6	Confident	86.1	Confident	43 Å²	43	81.1 Å²	81.1	44%	0.443	45%	0.449	S	S	.	.			trans	-80.6	175	172.3	0	0	0	0	0	112.4
422	P	73.8	Confident	86.4	Confident	74 Å²	74	77.8 Å²	77.8	48%	0.481	42%	0.417	S	S	.	.			trans	-53.6	140.5	162.7	-18.9	31.4	0	0	0	110.2
423	V	60.9	Low	86.4	Confident	141 Å²	141	76.3 Å²	76.3	86%	0.855	42%	0.415	S	S	*	.			trans	-77.9	124.5	166.9	-173.6	0	0	0	0	106.4
424	D	51.4	Low	85.7	Confident	232 Å²	232	82.5 Å²	82.5	100%	1.241	45%	0.445	S	S	*	.			trans	-59.3	0	176.7	-73.1	-33.6	0	0	0	112.9

Retrieved 424 of 424 residues in 222.3 ms (Link to these results)

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