A0A087YGT3_POEFO Loading...

Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B

AlphaFold DB (A0A3B3U4N6), UniProt , Accession A0A087YGT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 447 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	31.2	Very low	45.1	Very low	249 Å²	249	107.4 Å²	107.4	100%	1.227	71%	0.709	S	S	*	*				0	102.3	0	-71.3	-175.7	-166.2	0	0	107.3
2	A	27.8	Very low	49	Very low	103 Å²	103	98.8 Å²	98.8	85%	0.851	65%	0.651	S	S	*	*			trans	-82	115.1	176.5	0	0	0	0	0	108
3	G	25.9	Very low	52.3	Low	76 Å²	76	91.7 Å²	91.7	78%	0.784	60%	0.604	S	S	*	*			trans	-72	123.6	170.4	0	0	0	0	0	109.5	A5	G3-A5 PolarHBondContact O-N 3.12Å; G3-A5 VanDerWaalsContact O-N 3.14Å
4	V	30.9	Very low	55.1	Low	144 Å²	144	85.9 Å²	85.9	87%	0.873	56%	0.564	S	S	*	*			trans	-67	102.4	171.9	177.1	0	0	0	0	108	G6	V4-G6 PolarHBondContact O-N 2.9Å
5	A	30.3	Very low	57.5	Low	99 Å²	99	81.3 Å²	81.3	82%	0.818	53%	0.534	S	S	*	.			trans	-84.4	92.5	162.4	0	0	0	0	0	107.5	G3 G7	G3-A5 PolarHBondContact O-N 3.12Å; G3-A5 VanDerWaalsContact O-N 3.14Å; A5-G7 PolarHBondContact O-N 2.99Å
6	G	30.2	Very low	59.6	Low	69 Å²	69	76.8 Å²	76.8	71%	0.711	50%	0.504	S	S	*	.			trans	-69	95.5	167.8	0	0	0	0	0	109.1	V4 N8	V4-G6 PolarHBondContact O-N 2.9Å; G6-N8 PolarHBondContact O-N 3.04Å
7	G	37.5	Very low	61.6	Low	55 Å²	55	74.4 Å²	74.4	57%	0.567	49%	0.487	S	S	*	.			trans	-75.3	114.7	168.3	0	0	0	0	0	109	A5 D9	A5-G7 PolarHBondContact O-N 2.99Å; G7-D9 PolarHBondContact O-N 3.39Å
8	N	50.7	Low	63.3	Low	157 Å²	157	72.9 Å²	72.9	84%	0.84	47%	0.471	S	S	*	.			trans	-70.2	75.7	168.2	-88.3	-4.8	0	0	0	109.1	G6 F10	G6-N8 PolarHBondContact O-N 3.04Å; N8-F10 PolarHBondContact O-N 2.74Å
9	D	66.4	Low	64.6	Low	102 Å²	102	71.5 Å²	71.5	55%	0.545	47%	0.471	S	S	.	.			trans	-69.8	119.9	164.6	-73.1	-31.9	0	0	0	107.3	G7 Q11 R375	G7-D9 PolarHBondContact O-N 3.39Å; D9-Q11 PolarHBondContact O-N 2.75Å; D9-R375 VanDerWaalsContact CG-NH1 3.33Å; D9-R375 IonicContact OD1-CZ 2.73Å; D9-R375 IonicContact OD1-NH1 2.7Å; D9-R375 PolarHBondContact OD1-NH1 2.77Å; D9-R375 IonicContact OD2-NH1 3.71Å; D9-R375 PolarHBondContact OD2-NH1 3.06Å
10	F	78.5	Confident	65.2	Low	53 Å²	53	70.2 Å²	70.2	23%	0.232	47%	0.467	C	S	.	.			trans	-55.1	124.6	178	-61.5	-80.1	0	0	0	110.4	N8 W12 A356	N8-F10 PolarHBondContact O-N 2.74Å; F10-W12 HydrophobicContact CB-CZ2 4.28Å; F10-W12 VanDerWaalsContact CB-NE1 3.28Å; F10-W12 HydrophobicContact CD1-CZ2 4.21Å; F10-W12 HydrophobicContact CG-CZ2 4.29Å; F10-A356 HydrophobicContact CE2-CB 4Å; F10-A356 HydrophobicContact CZ-CB 4.17Å
11	Q	87.2	Confident	65.5	Low	74 Å²	74	73.6 Å²	73.6	35%	0.346	48%	0.479	S	S	.	.			trans	-104.8	81.6	178.5	-172	171.5	-2	0	0	109.5	D9 C13 T391 D444 K445	D9-Q11 PolarHBondContact O-N 2.75Å; Q11-C13 PolarHBondContact O-N 2.88Å; Q11-T391 HydrophobicContact CG-CG2 3.48Å; Q11-T391 VanDerWaalsContact CG-CG2 3.48Å; Q11-T391 PolarHBondContact NE2-OG1 3.14Å; Q11-D444 PolarHBondContact N-OD1 3.35Å; Q11-K445 HydrophobicContact CB-CB 4.08Å; Q11-K445 HydrophobicContact CG-CB 4.14Å; Q11-K445 HydrophobicContact CG-CD 4.25Å; Q11-K445 WeakPolarHBondContact O-CB 3.45Å; Q11-K445 PolarHBondContact O-N 2.95Å
12	W	91.6	Very high	67.4	Low	5 Å²	5	67.5 Å²	67.5	2%	0.019	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	128.6	-178.6	-64.3	100.1	0	0	0	112.4	F10 M368 L379 T391 L392 W424 N429 I431 F442	F10-W12 HydrophobicContact CB-CZ2 4.28Å; F10-W12 VanDerWaalsContact CB-NE1 3.28Å; F10-W12 HydrophobicContact CD1-CZ2 4.21Å; F10-W12 HydrophobicContact CG-CZ2 4.29Å; W12-M368 HydrophobicContact CD2-SD 4.38Å; W12-M368 VanDerWaalsContact CE2-CE 3.47Å; W12-M368 HydrophobicContact CG-SD 4.44Å; W12-M368 HydrophobicContact CH2-CE 4.28Å; W12-M368 HydrophobicContact CZ2-CE 3.3Å; W12-M368 HydrophobicContact CZ2-SD 4.12Å; W12-M368 PolarHBondContact NE1-SD 3.33Å; W12-L379 HydrophobicContact CB-CD1 4.09Å; W12-L379 HydrophobicContact CG-CD1 3.98Å; W12-T391 WeakPolarHBondContact O-CA 3.38Å; W12-L392 HydrophobicContact CB-CD1 3.96Å; W12-L392 HydrophobicContact CB-CG 4.4Å; W12-L392 PolarHBondContact O-N 3.17Å; W12-W424 AromaticContact CH2-CZ2 3.83Å; W12-W424 HydrophobicContact CH2-CZ2 3.83Å; W12-W424 HydrophobicContact CZ2-CH2 4.09Å; W12-W424 AromaticContact CZ2-CZ2 3.68Å; W12-W424 HydrophobicContact CZ2-CZ2 3.68Å; W12-N429 HydrophobicContact CH2-CB 3.91Å; W12-N429 HydrophobicContact CZ3-CB 4.35Å; W12-N429 WeakPolarHBondContact CZ3-O 3.29Å; W12-I431 HydrophobicContact CD2-CD1 4.22Å; W12-I431 HydrophobicContact CE3-CD1 4Å; W12-I431 HydrophobicContact CE3-CG1 3.98Å; W12-I431 HydrophobicContact CH2-CD1 4.45Å; W12-I431 HydrophobicContact CH2-CG1 4.3Å; W12-I431 HydrophobicContact CH2-CG2 3.69Å; W12-I431 HydrophobicContact CZ2-CG2 4.4Å; W12-I431 HydrophobicContact CZ3-CB 4.36Å; W12-I431 HydrophobicContact CZ3-CD1 4.11Å; W12-I431 HydrophobicContact CZ3-CG1 3.75Å; W12-I431 HydrophobicContact CZ3-CG2 3.95Å; W12-F442 HydrophobicContact CE3-CB 4.07Å
13	C	91.3	Very high	69.2	Low	6 Å²	6	71.8 Å²	71.8	4%	0.041	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.2	175.7	-79.2	0	0	0	0	110.5	Q11 S15 R389 A390 T391 F442 Q443	Q11-C13 PolarHBondContact O-N 2.88Å; C13-S15 PolarHBondContact O-N 2.82Å; C13-R389 PolarHBondContact SG-O 2.94Å; C13-R389 VanDerWaalsContact SG-O 3.35Å; C13-A390 VanDerWaalsContact CA-O 3.3Å; C13-A390 WeakPolarHBondContact CA-O 3.35Å; C13-T391 PolarHBondContact SG-OG1 3.22Å; C13-F442 VanDerWaalsContact O-CA 3.3Å; C13-F442 WeakPolarHBondContact O-CA 3.32Å; C13-Q443 WeakPolarHBondContact CB-O 3.35Å; C13-Q443 PolarHBondContact N-O 3.22Å; C13-Q443 PolarHBondContact O-N 3.36Å
14	F	92.2	Very high	71.7	Confident	10 Å²	10	75.7 Å²	75.7	4%	0.044	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	124.9	167.6	176.3	-97.6	0	0	0	110.5	Q16 V17 S386 R389 A390 Y440 F442	F14-Q16 VanDerWaalsContact CE2-O 3.31Å; F14-Q16 WeakPolarHBondContact CE2-O 3.3Å; F14-V17 HydrophobicContact CE2-CB 3.95Å; F14-V17 HydrophobicContact CE2-CG1 4.41Å; F14-V17 HydrophobicContact CZ-CB 3.89Å; F14-V17 HydrophobicContact CZ-CG1 3.91Å; F14-S386 WeakPolarHBondContact CD2-OG 3.32Å; F14-S386 WeakPolarHBondContact CE1-O 3.31Å; F14-S386 WeakPolarHBondContact CE2-OG 3.36Å; F14-R389 VanDerWaalsContact O-CA 3.26Å; F14-R389 WeakPolarHBondContact O-CA 3.32Å; F14-R389 PolarHBondContact O-N 3.47Å; F14-A390 PolarHBondContact N-O 3.1Å; F14-Y440 HydrophobicContact CD2-CD1 4.36Å; F14-Y440 AromaticContact CE2-CD1 3.95Å; F14-Y440 HydrophobicContact CE2-CD1 3.95Å; F14-Y440 HydrophobicContact CE2-CE1 4.46Å; F14-F442 HydrophobicContact CB-CD1 4.36Å; F14-F442 HydrophobicContact CB-CE1 4.36Å; F14-F442 HydrophobicContact CD2-CD1 4.36Å; F14-F442 AromaticContact CD2-CE1 3.88Å; F14-F442 HydrophobicContact CD2-CE1 3.88Å
15	S	90.6	Very high	74.2	Confident	17 Å²	17	71 Å²	71	12%	0.119	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-64.7	174.8	-167.2	0	0	0	0	110.4	C13 I441 Q443	C13-S15 PolarHBondContact O-N 2.82Å; S15-I441 WeakPolarHBondContact CA-O 3.37Å; S15-I441 WeakPolarHBondContact CB-O 3.14Å; S15-I441 PolarHBondContact N-O 3.16Å; S15-Q443 PolarHBondContact OG-NE2 3.38Å
16	Q	92.2	Very high	77.1	Confident	10 Å²	10	68.7 Å²	68.7	5%	0.047	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	157.1	-172.4	-60.2	177.1	-71.5	0	0	111.4	F14 E70 Y71 I441	F14-Q16 VanDerWaalsContact CE2-O 3.31Å; F14-Q16 WeakPolarHBondContact CE2-O 3.3Å; Q16-E70 HydrophobicContact CG-CG 4.15Å; Q16-E70 PolarHBondContact NE2-OE2 3.39Å; Q16-Y71 PolarHBondContact NE2-O 2.91Å; Q16-I441 HydrophobicContact CB-CB 4.26Å; Q16-I441 HydrophobicContact CB-CD1 4.42Å; Q16-I441 PolarHBondContact N-O 3.36Å; Q16-I441 PolarHBondContact O-N 3.28Å
17	V	93.4	Very high	80.1	Confident	35 Å²	35	71.4 Å²	71.4	21%	0.212	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.8	163.9	64.4	0	0	0	0	108.2	F14 R383 N438 L439 Y440	F14-V17 HydrophobicContact CE2-CB 3.95Å; F14-V17 HydrophobicContact CE2-CG1 4.41Å; F14-V17 HydrophobicContact CZ-CB 3.89Å; F14-V17 HydrophobicContact CZ-CG1 3.91Å; V17-R383 VanDerWaalsContact CG1-NH1 3.31Å; V17-R383 HydrophobicContact CG2-CG 4.42Å; V17-N438 HydrophobicContact CG2-CB 4.12Å; V17-L439 CarbonylContact C-O 3.57Å; V17-L439 VanDerWaalsContact CA-O 3.31Å; V17-L439 WeakPolarHBondContact CA-O 3.45Å; V17-Y440 HydrophobicContact CB-CD1 4.27Å; V17-Y440 HydrophobicContact CB-CE1 4.35Å; V17-Y440 HydrophobicContact CG2-CD1 4.05Å; V17-Y440 HydrophobicContact CG2-CD2 4.4Å; V17-Y440 HydrophobicContact CG2-CE1 3.9Å; V17-Y440 HydrophobicContact CG2-CE2 4.25Å; V17-Y440 HydrophobicContact CG2-CG 4.31Å
18	K	92.1	Very high	82.8	Confident	48 Å²	48	71 Å²	71	21%	0.209	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.4	172.1	-48	-63.2	-172.3	177.4	0	108	F55 Y71 N438 L439	K18-F55 HydrophobicContact CB-CE1 4.33Å; K18-F55 HydrophobicContact CB-CZ 4.37Å; K18-F55 HydrophobicContact CD-CE1 4.35Å; K18-F55 HydrophobicContact CG-CE1 3.88Å; K18-F55 HydrophobicContact CG-CZ 4.27Å; K18-Y71 WeakPolarHBondContact CE-O 3.04Å; K18-Y71 PolarHBondContact NZ-O 2.9Å; K18-N438 CarbonylContact O-C 3.52Å; K18-N438 VanDerWaalsContact O-CA 3.25Å; K18-N438 WeakPolarHBondContact O-CA 3.41Å; K18-L439 HydrophobicContact CB-CB 4.27Å; K18-L439 PolarHBondContact N-O 3.18Å; K18-L439 PolarHBondContact O-N 2.85Å
19	G	87.1	Confident	84.9	Confident	46 Å²	46	66.2 Å²	66.2	47%	0.474	37%	0.369	S	S	.	.	S	Bend	trans	124.8	169.3	-176.4	0	0	0	0	0	113	R383	G19-R383 VanDerWaalsContact C-NH2 3.27Å; G19-R383 PolarHBondContact O-NH2 3.14Å
20	A	77.3	Confident	86.3	Confident	46 Å²	46	63.4 Å²	63.4	38%	0.38	35%	0.354	S	S	.	.			trans	-69.8	154.6	-178	0	0	0	0	0	112.2	R383 N438	A20-R383 PolarHBondContact O-NH2 2.76Å; A20-N438 PolarHBondContact O-OD1 3.34Å; A20-N438 VanDerWaalsContact O-OD1 3.14Å
21	I	72.1	Confident	87.3	Confident	141 Å²	141	61.7 Å²	61.7	72%	0.723	35%	0.347	S	S	*	.	S	Bend	trans	-86.8	-23.4	175.1	-58.6	175.7	0	0	0	110.5
22	D	70.3	Confident	87.8	Confident	122 Å²	122	58.4 Å²	58.4	65%	0.652	33%	0.332	S	S	*	.	S	Bend	trans	-70.3	145.5	-174.2	-64.1	-31.8	0	0	0	112.4	D24	D22-D24 VanDerWaalsContact C-N 3.27Å
23	E	66.1	Low	88.1	Confident	192 Å²	192	58.2 Å²	58.2	90%	0.897	33%	0.332	S	S	*	.	S	Bend	trans	-70.9	-25.3	177.6	-64.6	-171.6	162.3	0	0	112	V25	E23-V25 PolarHBondContact O-N 2.95Å
24	D	78.4	Confident	88.5	Confident	159 Å²	159	58 Å²	58	85%	0.85	33%	0.33	S	S	*	.			trans	-82.7	79.9	177.8	-67.4	-32	0	0	0	110.7	D22	D22-D24 VanDerWaalsContact C-N 3.27Å
25	V	83.8	Confident	88.8	Confident	45 Å²	45	59.7 Å²	59.7	27%	0.273	34%	0.338	S	S	.	.			trans	-80.2	119.7	176.6	-179.3	0	0	0	0	110.2	E23 E27 I30 T436 N437	E23-V25 PolarHBondContact O-N 2.95Å; V25-E27 PolarHBondContact O-N 3.19Å; V25-I30 HydrophobicContact CG1-CG1 4.13Å; V25-T436 HydrophobicContact CB-CG2 4.16Å; V25-T436 HydrophobicContact CG1-CG2 3.87Å; V25-T436 HydrophobicContact CG2-CG2 4.17Å; V25-N437 HydrophobicContact CG1-CB 3.47Å; V25-N437 VanDerWaalsContact CG1-CB 3.47Å; V25-N437 WeakPolarHBondContact CG1-ND2 3.23Å; V25-N437 WeakPolarHBondContact CG2-ND2 3.23Å; V25-N437 WeakPolarHBondContact CG2-OD1 3.37Å
26	A	90.9	Very high	89.1	Confident	51 Å²	51	59.6 Å²	59.6	42%	0.421	34%	0.336	S	S	.	.			trans	-62.4	134.7	170.5	0	0	0	0	0	110.1	A28 D29	A26-A28 PolarHBondContact O-N 3.27Å; A26-D29 PolarHBondContact O-N 2.77Å
27	E	92.1	Very high	89.4	Confident	126 Å²	126	59.6 Å²	59.6	59%	0.589	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-56.9	-37.7	-176.4	-178.7	168.2	-163.8	0	0	112.4	V25 D29 I30 K48	V25-E27 PolarHBondContact O-N 3.19Å; E27-D29 PolarHBondContact O-N 2.86Å; E27-I30 HydrophobicContact CG-CD1 4.26Å; E27-I30 WeakPolarHBondContact O-CB 3.3Å; E27-I30 WeakPolarHBondContact O-CG1 3.33Å; E27-I30 PolarHBondContact O-N 2.76Å; E27-I30 VanDerWaalsContact O-N 3.11Å; E27-K48 HydrophobicContact CG-CD 3.64Å; E27-K48 VanDerWaalsContact O-CB 3.29Å; E27-K48 WeakPolarHBondContact O-CB 3.44Å; E27-K48 WeakPolarHBondContact O-CD 3.49Å; E27-K48 IonicContact OE1-NZ 3.16Å; E27-K48 PolarHBondContact OE1-NZ 3.12Å
28	A	94.6	Very high	89.5	Confident	46 Å²	46	64.1 Å²	64.1	38%	0.38	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-60.6	-25.4	176.7	0	0	0	0	0	113.8	A26 I30 D47 G49	A26-A28 PolarHBondContact O-N 3.27Å; A28-I30 VanDerWaalsContact C-N 3.35Å; A28-D47 WeakPolarHBondContact O-CB 3.42Å; A28-D47 VanDerWaalsContact O-CG 3.29Å; A28-G49 PolarHBondContact O-N 2.99Å
29	D	94.6	Very high	89.6	Confident	56 Å²	56	63.3 Å²	63.3	30%	0.299	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-87.3	-3	179.7	-62.3	-32.7	0	0	0	113	A26 E27 I31 R51 N437	A26-D29 PolarHBondContact O-N 2.77Å; E27-D29 PolarHBondContact O-N 2.86Å; D29-I31 PolarHBondContact O-N 2.99Å; D29-R51 IonicContact OD1-CZ 2.77Å; D29-R51 IonicContact OD1-NH1 3.99Å; D29-R51 PolarHBondContact OD1-NH1 2.97Å; D29-R51 IonicContact OD1-NH2 3.28Å; D29-R51 PolarHBondContact OD1-NH2 2.9Å; D29-N437 HydrophobicContact CB-CB 4.14Å; D29-N437 WeakPolarHBondContact O-CA 3.17Å; D29-N437 VanDerWaalsContact O-CB 3.22Å; D29-N437 WeakPolarHBondContact O-CB 3.41Å
30	I	96.4	Very high	90	Very high	44 Å²	44	61.1 Å²	61.1	23%	0.226	33%	0.328	C	S	.	.	S	Bend	trans	-69.6	122.6	178.1	-61.1	178.2	0	0	0	109.4	V25 E27 A28 S32 D47 K48 T436	V25-I30 HydrophobicContact CG1-CG1 4.13Å; E27-I30 HydrophobicContact CG-CD1 4.26Å; E27-I30 WeakPolarHBondContact O-CB 3.3Å; E27-I30 WeakPolarHBondContact O-CG1 3.33Å; E27-I30 PolarHBondContact O-N 2.76Å; E27-I30 VanDerWaalsContact O-N 3.11Å; A28-I30 VanDerWaalsContact C-N 3.35Å; I30-S32 PolarHBondContact O-N 3.12Å; I30-D47 CarbonylContact O-C 3.6Å; I30-D47 VanDerWaalsContact O-CA 3.26Å; I30-D47 WeakPolarHBondContact O-CA 3.37Å; I30-D47 WeakPolarHBondContact O-CB 3.19Å; I30-K48 HydrophobicContact CB-CD 4.07Å; I30-K48 HydrophobicContact CB-CG 4.12Å; I30-K48 HydrophobicContact CD1-CD 4.38Å; I30-K48 HydrophobicContact CG2-CD 4.45Å; I30-K48 HydrophobicContact CG2-CG 4.5Å; I30-K48 PolarHBondContact O-N 3.28Å; I30-T436 HydrophobicContact CD1-CG2 4.33Å; I30-T436 HydrophobicContact CG1-CG2 3.99Å
31	I	98.1	Very high	90.8	Very high	16 Å²	16	62.2 Å²	62.2	8%	0.082	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129	178.5	-62	170.3	0	0	0	109.2	D29 V34 T45 G46 A434 T436 L439	D29-I31 PolarHBondContact O-N 2.99Å; I31-V34 HydrophobicContact CG2-CG2 3.73Å; I31-T45 HydrophobicContact CG2-CG2 4.4Å; I31-G46 WeakPolarHBondContact CA-O 3.15Å; I31-A434 HydrophobicContact CB-CB 4.01Å; I31-A434 HydrophobicContact CD1-CB 4.41Å; I31-A434 HydrophobicContact CG2-CB 3.69Å; I31-T436 PolarHBondContact N-O 3.14Å; I31-L439 HydrophobicContact CD1-CB 3.84Å
32	S	98.3	Very high	92	Very high	5 Å²	5	55.5 Å²	55.5	4%	0.035	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-5.8	-175	56.9	0	0	0	0	114.1	I30 G46 D47 I96 H421	I30-S32 PolarHBondContact O-N 3.12Å; S32-G46 PolarHBondContact N-O 3.41Å; S32-G46 PolarHBondContact OG-O 2.76Å; S32-D47 VanDerWaalsContact OG-C 3.31Å; S32-D47 WeakPolarHBondContact OG-CA 3.41Å; S32-D47 PolarHBondContact OG-O 2.92Å; S32-I96 WeakPolarHBondContact CB-O 3.4Å; S32-I96 PolarHBondContact OG-O 2.83Å; S32-H421 PolarHBondContact O-CE1 2.62Å; S32-H421 PolarHBondContact O-ND1 2.71Å; S32-H421 PolarHBondContact O-NE2 2.89Å
33	T	98.6	Very high	93.4	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	147.9	171.9	-177	0	0	0	0	110.1	T45 G46 I96 I99	T33-T45 VanDerWaalsContact O-CA 3.31Å; T33-T45 WeakPolarHBondContact O-CA 3.41Å; T33-G46 PolarHBondContact N-O 2.95Å; T33-G46 PolarHBondContact O-N 3.17Å; T33-I96 HydrophobicContact CG2-CB 4.43Å; T33-I96 HydrophobicContact CG2-CG2 3.83Å; T33-I99 HydrophobicContact CG2-CB 4.34Å; T33-I99 HydrophobicContact CG2-CD1 3.79Å; T33-I99 HydrophobicContact CG2-CG1 3.78Å
34	V	98.6	Very high	94.9	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	130.6	177.8	-174.8	0	0	0	0	108.9	I31 L43 A44 T45 H421 A423 A432 A434 L439	I31-V34 HydrophobicContact CG2-CG2 3.73Å; V34-L43 HydrophobicContact CG1-CD1 3.67Å; V34-A44 WeakPolarHBondContact CA-O 3.35Å; V34-T45 HydrophobicContact CG1-CG2 4.31Å; V34-T45 HydrophobicContact CG2-CG2 4.16Å; V34-H421 HydrophobicContact CG2-CB 4.16Å; V34-A423 HydrophobicContact CB-CB 4.39Å; V34-A423 HydrophobicContact CG1-CB 3.92Å; V34-A432 HydrophobicContact CG1-CB 3.81Å; V34-A434 HydrophobicContact CG2-CB 3.8Å; V34-L439 HydrophobicContact CG1-CD1 4.07Å; V34-L439 HydrophobicContact CG2-CD1 4.11Å
35	E	98.5	Very high	95.9	Very high	45 Å²	45	33.4 Å²	33.4	21%	0.21	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	125.7	-175.6	-171.9	80.3	158.9	0	0	112.3	A44 I99 R100 W101	E35-A44 PolarHBondContact N-O 2.85Å; E35-A44 PolarHBondContact O-N 2.87Å; E35-I99 HydrophobicContact CB-CB 4.42Å; E35-I99 HydrophobicContact CB-CG2 4.37Å; E35-R100 WeakPolarHBondContact OE1-CD 3.48Å; E35-R100 IonicContact OE1-CZ 2.71Å; E35-R100 IonicContact OE1-NE 3.44Å; E35-R100 IonicContact OE1-NH1 3.16Å; E35-R100 PolarHBondContact OE1-NH1 3.27Å; E35-R100 IonicContact OE2-NH1 2.67Å; E35-R100 PolarHBondContact OE2-NH1 3.03Å; E35-W101 PolarHBondContact O-NE1 2.83Å; E35-W101 VanDerWaalsContact O-NE1 3.17Å
36	F	98.4	Very high	96.6	Very high	15 Å²	15	31.3 Å²	31.3	7%	0.066	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	147.3	167.6	-76	-79.4	0	0	0	111.4	L42 L43 Y71 W101 A423 W424 H425 V430 A432	F36-L42 WeakPolarHBondContact CA-O 3Å; F36-L43 HydrophobicContact CD1-CB 3.99Å; F36-L43 HydrophobicContact CD1-CD1 3.91Å; F36-L43 HydrophobicContact CD1-CG 4.47Å; F36-L43 HydrophobicContact CD2-CD1 3.99Å; F36-L43 HydrophobicContact CE1-CB 3.85Å; F36-L43 HydrophobicContact CE1-CD1 3.84Å; F36-L43 HydrophobicContact CE1-CD2 4.14Å; F36-L43 HydrophobicContact CE1-CG 4.16Å; F36-L43 HydrophobicContact CE2-CD1 3.92Å; F36-L43 HydrophobicContact CG-CD1 3.98Å; F36-L43 HydrophobicContact CZ-CD1 3.84Å; F36-L43 HydrophobicContact CZ-CD2 4.09Å; F36-L43 HydrophobicContact CZ-CG 4.39Å; F36-Y71 HydrophobicContact CD1-CE1 4.47Å; F36-Y71 AromaticContact CE1-CE1 3.83Å; F36-Y71 HydrophobicContact CE1-CE1 3.83Å; F36-Y71 AromaticContact CE1-CZ 3.75Å; F36-W101 VanDerWaalsContact C-CD1 3.44Å; F36-A423 HydrophobicContact CD2-CB 3.76Å; F36-A423 HydrophobicContact CE2-CB 4.01Å; F36-W424 WeakPolarHBondContact CD2-O 3.45Å; F36-H425 HydrophobicContact CE1-CB 4.49Å; F36-H425 AromaticContact CE1-CD2 3.98Å; F36-H425 HydrophobicContact CE2-CB 4.31Å; F36-H425 HydrophobicContact CZ-CB 4.29Å; F36-V430 HydrophobicContact CZ-CG1 4.38Å; F36-A432 HydrophobicContact CE2-CB 3.95Å; F36-A432 HydrophobicContact CZ-CB 4.11Å
37	N	97.5	Very high	96.9	Very high	9 Å²	9	29.3 Å²	29.3	5%	0.048	15%	0.151	C	C	.	.			trans	-71.8	170.8	165.5	78.9	-21.4	0	0	0	110.9	S39 G40 D41 L42 W101	N37-S39 VanDerWaalsContact C-N 3.27Å; N37-S39 PolarHBondContact ND2-OG 3.37Å; N37-S39 VanDerWaalsContact ND2-OG 3.07Å; N37-S39 PolarHBondContact O-N 3.35Å; N37-S39 PolarHBondContact OD1-OG 3.06Å; N37-G40 PolarHBondContact O-N 2.93Å; N37-G40 VanDerWaalsContact OD1-CA 3.27Å; N37-G40 WeakPolarHBondContact OD1-CA 3.47Å; N37-G40 PolarHBondContact OD1-N 2.74Å; N37-D41 PolarHBondContact OD1-N 3.22Å; N37-D41 VanDerWaalsContact OD1-N 3.14Å; N37-L42 HydrophobicContact CB-CB 4.09Å; N37-L42 PolarHBondContact N-O 2.73Å; N37-L42 PolarHBondContact OD1-N 2.73Å; N37-L42 VanDerWaalsContact OD1-N 3.07Å; N37-L42 PolarHBondContact OD1-O 3.48Å; N37-W101 VanDerWaalsContact CA-CD1 3.43Å; N37-W101 HydrophobicContact CB-CB 4.26Å; N37-W101 HydrophobicContact CB-CD2 3.55Å; N37-W101 HydrophobicContact CB-CE3 4.01Å; N37-W101 HydrophobicContact CB-CG 3.67Å; N37-W101 HydrophobicContact CB-CZ2 4.26Å
38	Y	95.3	Very high	97.2	Very high	130 Å²	130	26.3 Å²	26.3	51%	0.51	14%	0.136	S	C	.	.	S	Bend	trans	-61.4	-28.8	-177.2	-70.4	-88.7	0	0	0	114.8	W101 P103 P426	Y38-W101 HydrophobicContact CD2-CB 4.28Å; Y38-W101 HydrophobicContact CE2-CB 4.23Å; Y38-W101 WeakPolarHBondContact CE2-O 3.07Å; Y38-P103 HydrophobicContact CD2-CG 4.34Å; Y38-P103 HydrophobicContact CE1-CG 4.42Å; Y38-P103 HydrophobicContact CE2-CB 4.43Å; Y38-P103 HydrophobicContact CE2-CG 3.74Å; Y38-P426 WeakPolarHBondContact O-CG 2.93Å
39	S	94.4	Very high	97.4	Very high	32 Å²	32	24.6 Å²	24.6	22%	0.224	12%	0.122	C	C	.	.	S	Bend	trans	-80.2	-29.3	175.9	68.7	0	0	0	0	112.1	N37 D41	N37-S39 VanDerWaalsContact C-N 3.27Å; N37-S39 PolarHBondContact ND2-OG 3.37Å; N37-S39 VanDerWaalsContact ND2-OG 3.07Å; N37-S39 PolarHBondContact O-N 3.35Å; N37-S39 PolarHBondContact OD1-OG 3.06Å; S39-D41 VanDerWaalsContact C-N 3.33Å; S39-D41 WeakPolarHBondContact CB-OD2 3.46Å; S39-D41 WeakPolarHBondContact OG-CB 3.35Å; S39-D41 VanDerWaalsContact OG-CG 3.28Å; S39-D41 PolarHBondContact OG-N 2.93Å; S39-D41 PolarHBondContact OG-OD2 2.76Å
40	G	95.3	Very high	97.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	89.4	-8.7	-170.6	0	0	0	0	0	113.7	N37 L42 Y71 H425	N37-G40 PolarHBondContact O-N 2.93Å; N37-G40 VanDerWaalsContact OD1-CA 3.27Å; N37-G40 WeakPolarHBondContact OD1-CA 3.47Å; N37-G40 PolarHBondContact OD1-N 2.74Å; G40-L42 PolarHBondContact O-N 3.25Å; G40-Y71 PolarHBondContact O-OH 3.36Å; G40-H425 VanDerWaalsContact CA-NE2 3.25Å; G40-H425 WeakPolarHBondContact CA-NE2 3.28Å; G40-H425 PolarHBondContact O-CD2 3.19Å; G40-H425 PolarHBondContact O-NE2 3.4Å
41	D	95	Very high	97.7	Very high	68 Å²	68	23.6 Å²	23.6	36%	0.364	11%	0.112	S	C	.	.	S	Bend	trans	-68.4	-20.9	-179.4	-56	-54.2	0	0	0	113.2	N37 S39 Q56 H57	N37-D41 PolarHBondContact OD1-N 3.22Å; N37-D41 VanDerWaalsContact OD1-N 3.14Å; S39-D41 VanDerWaalsContact C-N 3.33Å; S39-D41 WeakPolarHBondContact CB-OD2 3.46Å; S39-D41 WeakPolarHBondContact OG-CB 3.35Å; S39-D41 VanDerWaalsContact OG-CG 3.28Å; S39-D41 PolarHBondContact OG-N 2.93Å; S39-D41 PolarHBondContact OG-OD2 2.76Å; D41-Q56 CarbonylContact O-C 3.57Å; D41-Q56 WeakPolarHBondContact O-CA 3.45Å; D41-H57 PolarHBondContact O-N 3.49Å
42	L	97.6	Very high	97.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.2	176.7	-57.5	178.2	0	0	0	110.6	F36 N37 G40 I54 F55 Q56 Y74 W101 H109	F36-L42 WeakPolarHBondContact CA-O 3Å; N37-L42 HydrophobicContact CB-CB 4.09Å; N37-L42 PolarHBondContact N-O 2.73Å; N37-L42 PolarHBondContact OD1-N 2.73Å; N37-L42 VanDerWaalsContact OD1-N 3.07Å; N37-L42 PolarHBondContact OD1-O 3.48Å; G40-L42 PolarHBondContact O-N 3.25Å; L42-I54 HydrophobicContact CB-CG2 4.19Å; L42-I54 HydrophobicContact CD1-CG2 4.47Å; L42-I54 HydrophobicContact CD2-CG2 4.17Å; L42-F55 CarbonylContact C-O 3.43Å; L42-F55 VanDerWaalsContact CA-O 3.29Å; L42-F55 WeakPolarHBondContact CA-O 3.49Å; L42-Q56 HydrophobicContact CD2-CB 3.68Å; L42-Q56 HydrophobicContact CD2-CG 3.83Å; L42-Y74 HydrophobicContact CD2-CD1 4.07Å; L42-Y74 HydrophobicContact CD2-CE1 4.31Å; L42-Y74 HydrophobicContact CD2-CG 4.45Å; L42-W101 HydrophobicContact CB-CH2 3.89Å; L42-W101 HydrophobicContact CB-CZ2 3.87Å; L42-W101 HydrophobicContact CD1-CH2 3.66Å; L42-W101 HydrophobicContact CD1-CZ2 4.46Å; L42-W101 HydrophobicContact CD1-CZ3 3.94Å; L42-W101 HydrophobicContact CG-CH2 4.43Å; L42-H109 HydrophobicContact CD1-CB 4.22Å
43	L	98.4	Very high	97.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.1	173.5	175.8	59.6	0	0	0	108.4	V34 F36 I54 F55 Y71 A432 L439 I441	V34-L43 HydrophobicContact CG1-CD1 3.67Å; F36-L43 HydrophobicContact CD1-CB 3.99Å; F36-L43 HydrophobicContact CD1-CD1 3.91Å; F36-L43 HydrophobicContact CD1-CG 4.47Å; F36-L43 HydrophobicContact CD2-CD1 3.99Å; F36-L43 HydrophobicContact CE1-CB 3.85Å; F36-L43 HydrophobicContact CE1-CD1 3.84Å; F36-L43 HydrophobicContact CE1-CD2 4.14Å; F36-L43 HydrophobicContact CE1-CG 4.16Å; F36-L43 HydrophobicContact CE2-CD1 3.92Å; F36-L43 HydrophobicContact CG-CD1 3.98Å; F36-L43 HydrophobicContact CZ-CD1 3.84Å; F36-L43 HydrophobicContact CZ-CD2 4.09Å; F36-L43 HydrophobicContact CZ-CG 4.39Å; L43-I54 CarbonylContact O-C 3.6Å; L43-I54 WeakPolarHBondContact O-CA 3.3Å; L43-F55 HydrophobicContact CB-CB 4.4Å; L43-F55 PolarHBondContact N-O 2.86Å; L43-F55 WeakPolarHBondContact O-CD2 3.3Å; L43-F55 PolarHBondContact O-N 3.41Å; L43-Y71 HydrophobicContact CB-CD1 3.85Å; L43-Y71 HydrophobicContact CB-CE1 3.99Å; L43-A432 HydrophobicContact CD1-CB 4.02Å; L43-A432 HydrophobicContact CD2-CB 3.8Å; L43-L439 HydrophobicContact CD2-CD2 3.95Å; L43-I441 HydrophobicContact CD2-CD1 4.21Å
44	A	98.7	Very high	97.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.3	175.8	0	0	0	0	0	111.4	V34 E35 V53 I54 I99 W101	V34-A44 WeakPolarHBondContact CA-O 3.35Å; E35-A44 PolarHBondContact N-O 2.85Å; E35-A44 PolarHBondContact O-N 2.87Å; A44-V53 CarbonylContact C-O 3.56Å; A44-V53 WeakPolarHBondContact CA-O 3.4Å; A44-I54 HydrophobicContact CB-CG1 4.37Å; A44-I99 HydrophobicContact CB-CD1 4.15Å; A44-I99 HydrophobicContact CB-CG2 4.14Å; A44-W101 HydrophobicContact CB-CZ2 3.69Å
45	T	98.8	Very high	97.7	Very high	8 Å²	8	24.1 Å²	24.1	5%	0.049	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.7	166.5	60.1	0	0	0	0	110.2	I31 T33 V34 V52 V53 F55 L439	I31-T45 HydrophobicContact CG2-CG2 4.4Å; T33-T45 VanDerWaalsContact O-CA 3.31Å; T33-T45 WeakPolarHBondContact O-CA 3.41Å; V34-T45 HydrophobicContact CG1-CG2 4.31Å; V34-T45 HydrophobicContact CG2-CG2 4.16Å; T45-V52 WeakPolarHBondContact O-CA 3.28Å; T45-V53 PolarHBondContact N-O 3Å; T45-V53 PolarHBondContact O-N 2.85Å; T45-F55 HydrophobicContact CG2-CE2 4.12Å; T45-L439 HydrophobicContact CG2-CD1 3.97Å; T45-L439 HydrophobicContact CG2-CD2 3.71Å; T45-L439 HydrophobicContact CG2-CG 4.38Å
46	G	98.6	Very high	97.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	151.3	165.8	0	0	0	0	0	110.1	I31 S32 T33 R51	I31-G46 WeakPolarHBondContact CA-O 3.15Å; S32-G46 PolarHBondContact N-O 3.41Å; S32-G46 PolarHBondContact OG-O 2.76Å; T33-G46 PolarHBondContact N-O 2.95Å; T33-G46 PolarHBondContact O-N 3.17Å; G46-R51 WeakPolarHBondContact CA-O 3.23Å
47	D	98.2	Very high	97.3	Very high	9 Å²	9	26.7 Å²	26.7	5%	0.048	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	172.5	177.6	62.8	30.1	0	0	0	113.4	A28 I30 S32 G49 G50 R51 I96	A28-D47 WeakPolarHBondContact O-CB 3.42Å; A28-D47 VanDerWaalsContact O-CG 3.29Å; I30-D47 CarbonylContact O-C 3.6Å; I30-D47 VanDerWaalsContact O-CA 3.26Å; I30-D47 WeakPolarHBondContact O-CA 3.37Å; I30-D47 WeakPolarHBondContact O-CB 3.19Å; S32-D47 VanDerWaalsContact OG-C 3.31Å; S32-D47 WeakPolarHBondContact OG-CA 3.41Å; S32-D47 PolarHBondContact OG-O 2.92Å; D47-G49 PolarHBondContact O-N 2.96Å; D47-G49 VanDerWaalsContact OD1-C 3.25Å; D47-G49 WeakPolarHBondContact OD1-CA 3.33Å; D47-G49 PolarHBondContact OD1-N 2.93Å; D47-G49 VanDerWaalsContact OD1-N 3.1Å; D47-G50 PolarHBondContact O-N 2.79Å; D47-G50 PolarHBondContact OD1-N 2.8Å; D47-R51 PolarHBondContact N-O 2.88Å; D47-R51 PolarHBondContact OD1-N 3.04Å; D47-R51 IonicContact OD1-NE 2.89Å; D47-R51 WeakPolarHBondContact OD2-CB 3.47Å; D47-R51 IonicContact OD2-CZ 3.83Å; D47-R51 IonicContact OD2-NE 2.62Å; D47-R51 PolarHBondContact OD2-NE 2.9Å; D47-R51 IonicContact OD2-NH2 3.16Å; D47-R51 PolarHBondContact OD2-NH2 3.11Å; D47-I96 PolarHBondContact O-N 3.12Å
48	K	98	Very high	96.8	Very high	64 Å²	64	31.7 Å²	31.7	28%	0.278	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.5	175.4	-76.7	-162.5	165.1	-172.8	0	113.3	E27 I30 G50 K95	E27-K48 HydrophobicContact CG-CD 3.64Å; E27-K48 VanDerWaalsContact O-CB 3.29Å; E27-K48 WeakPolarHBondContact O-CB 3.44Å; E27-K48 WeakPolarHBondContact O-CD 3.49Å; E27-K48 IonicContact OE1-NZ 3.16Å; E27-K48 PolarHBondContact OE1-NZ 3.12Å; I30-K48 HydrophobicContact CB-CD 4.07Å; I30-K48 HydrophobicContact CB-CG 4.12Å; I30-K48 HydrophobicContact CD1-CD 4.38Å; I30-K48 HydrophobicContact CG2-CD 4.45Å; I30-K48 HydrophobicContact CG2-CG 4.5Å; I30-K48 PolarHBondContact O-N 3.28Å; K48-G50 PolarHBondContact O-N 2.84Å; K48-K95 HydrophobicContact CG-CD 4.13Å; K48-K95 HydrophobicContact CG-CG 4.32Å; K48-K95 VanDerWaalsContact O-CA 3.29Å; K48-K95 WeakPolarHBondContact O-CA 3.3Å; K48-K95 PolarHBondContact O-N 2.81Å
49	G	98	Very high	95.7	Very high	9 Å²	9	33.4 Å²	33.4	9%	0.093	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	11.8	177.1	0	0	0	0	0	114.5	A28 D47 R51 Q78 E94	A28-G49 PolarHBondContact O-N 2.99Å; D47-G49 PolarHBondContact O-N 2.96Å; D47-G49 VanDerWaalsContact OD1-C 3.25Å; D47-G49 WeakPolarHBondContact OD1-CA 3.33Å; D47-G49 PolarHBondContact OD1-N 2.93Å; D47-G49 VanDerWaalsContact OD1-N 3.1Å; G49-R51 VanDerWaalsContact C-N 3.31Å; G49-R51 PolarHBondContact O-N 2.8Å; G49-Q78 PolarHBondContact O-NE2 3.29Å; G49-E94 VanDerWaalsContact C-CG 3.43Å
50	G	98.3	Very high	94	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	75.9	11.8	174	0	0	0	0	0	115.6	D47 K48 Q78 S79 H80 E94	D47-G50 PolarHBondContact O-N 2.79Å; D47-G50 PolarHBondContact OD1-N 2.8Å; K48-G50 PolarHBondContact O-N 2.84Å; G50-Q78 PolarHBondContact O-NE2 2.86Å; G50-S79 WeakPolarHBondContact O-CA 3.16Å; G50-S79 WeakPolarHBondContact O-CB 3.27Å; G50-S79 PolarHBondContact O-N 2.78Å; G50-H80 PolarHBondContact O-N 2.95Å; G50-E94 WeakPolarHBondContact CA-O 3.33Å
51	R	98.5	Very high	92	Very high	80 Å²	80	40.5 Å²	40.5	30%	0.302	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	150.3	178.6	-53.5	170.4	-55.5	-168.2	6.4	110.4	D29 G46 D47 G49 F77 Q78	D29-R51 IonicContact OD1-CZ 2.77Å; D29-R51 IonicContact OD1-NH1 3.99Å; D29-R51 PolarHBondContact OD1-NH1 2.97Å; D29-R51 IonicContact OD1-NH2 3.28Å; D29-R51 PolarHBondContact OD1-NH2 2.9Å; G46-R51 WeakPolarHBondContact CA-O 3.23Å; D47-R51 PolarHBondContact N-O 2.88Å; D47-R51 PolarHBondContact OD1-N 3.04Å; D47-R51 IonicContact OD1-NE 2.89Å; D47-R51 WeakPolarHBondContact OD2-CB 3.47Å; D47-R51 IonicContact OD2-CZ 3.83Å; D47-R51 IonicContact OD2-NE 2.62Å; D47-R51 PolarHBondContact OD2-NE 2.9Å; D47-R51 IonicContact OD2-NH2 3.16Å; D47-R51 PolarHBondContact OD2-NH2 3.11Å; G49-R51 VanDerWaalsContact C-N 3.31Å; G49-R51 PolarHBondContact O-N 2.8Å; R51-F77 WeakPolarHBondContact CA-O 2.96Å; R51-Q78 VanDerWaalsContact CG-OE1 3.28Å
52	V	98.8	Very high	90.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.5	169.5	174.6	0	0	0	0	108.4	T45 I54 T76 F77 I96 I99	T45-V52 WeakPolarHBondContact O-CA 3.28Å; V52-I54 HydrophobicContact CG1-CG1 4.19Å; V52-T76 WeakPolarHBondContact O-CA 3.29Å; V52-F77 HydrophobicContact CB-CD2 4.31Å; V52-F77 HydrophobicContact CB-CE1 4.02Å; V52-F77 HydrophobicContact CB-CE2 3.73Å; V52-F77 HydrophobicContact CB-CZ 3.58Å; V52-F77 HydrophobicContact CG1-CE1 3.87Å; V52-F77 HydrophobicContact CG1-CE2 4.23Å; V52-F77 HydrophobicContact CG1-CZ 3.56Å; V52-F77 HydrophobicContact CG2-CE2 4.13Å; V52-F77 HydrophobicContact CG2-CZ 4.26Å; V52-F77 PolarHBondContact N-O 2.84Å; V52-F77 PolarHBondContact O-N 3.39Å; V52-I96 HydrophobicContact CG2-CG1 4.44Å; V52-I99 HydrophobicContact CG1-CD1 4.06Å; V52-I99 HydrophobicContact CG2-CD1 4.05Å
53	V	98.6	Very high	88	Confident	24 Å²	24	54 Å²	54	15%	0.145	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.7	174.8	-169.3	0	0	0	0	108.2	A44 T45 F55 V73 T76	A44-V53 CarbonylContact C-O 3.56Å; A44-V53 WeakPolarHBondContact CA-O 3.4Å; T45-V53 PolarHBondContact N-O 3Å; T45-V53 PolarHBondContact O-N 2.85Å; V53-F55 HydrophobicContact CB-CE2 4.14Å; V53-F55 HydrophobicContact CB-CZ 4.27Å; V53-F55 HydrophobicContact CG1-CD2 4.46Å; V53-F55 HydrophobicContact CG1-CE1 4.07Å; V53-F55 HydrophobicContact CG1-CE2 3.79Å; V53-F55 HydrophobicContact CG1-CZ 3.56Å; V53-V73 HydrophobicContact CG1-CG1 4.37Å; V53-T76 HydrophobicContact CG2-CG2 4.31Å
54	I	98.6	Very high	85.8	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.1	176.5	-55.8	173.2	0	0	0	107.7	L42 L43 A44 V52 Y74 S75 F77 W101 L111 I124	L42-I54 HydrophobicContact CB-CG2 4.19Å; L42-I54 HydrophobicContact CD1-CG2 4.47Å; L42-I54 HydrophobicContact CD2-CG2 4.17Å; L43-I54 CarbonylContact O-C 3.6Å; L43-I54 WeakPolarHBondContact O-CA 3.3Å; A44-I54 HydrophobicContact CB-CG1 4.37Å; V52-I54 HydrophobicContact CG1-CG1 4.19Å; I54-Y74 HydrophobicContact CB-CD1 4.38Å; I54-Y74 HydrophobicContact CG2-CD1 3.85Å; I54-Y74 WeakPolarHBondContact O-CA 3.41Å; I54-Y74 WeakPolarHBondContact O-CB 3.24Å; I54-Y74 PolarHBondContact O-N 2.82Å; I54-S75 PolarHBondContact N-O 3.32Å; I54-S75 PolarHBondContact O-N 3.3Å; I54-S75 VanDerWaalsContact O-N 3.13Å; I54-F77 HydrophobicContact CD1-CE1 3.89Å; I54-F77 HydrophobicContact CG1-CE1 4.41Å; I54-W101 HydrophobicContact CD1-CH2 3.96Å; I54-W101 HydrophobicContact CG1-CH2 4.34Å; I54-W101 HydrophobicContact CG2-CH2 3.96Å; I54-W101 HydrophobicContact CG2-CZ2 4.24Å; I54-L111 HydrophobicContact CD1-CD2 3.86Å; I54-L111 HydrophobicContact CG1-CD2 4.46Å; I54-I124 HydrophobicContact CD1-CD1 4.28Å; I54-I124 HydrophobicContact CD1-CG1 3.54Å; I54-I124 HydrophobicContact CD1-CG2 4.44Å
55	F	97.9	Very high	83.4	Confident	12 Å²	12	66.1 Å²	66.1	5%	0.053	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.1	172.3	-52.2	-92.5	0	0	0	109.6	K18 L42 L43 T45 V53 Y71 N72 V73 L439	K18-F55 HydrophobicContact CB-CE1 4.33Å; K18-F55 HydrophobicContact CB-CZ 4.37Å; K18-F55 HydrophobicContact CD-CE1 4.35Å; K18-F55 HydrophobicContact CG-CE1 3.88Å; K18-F55 HydrophobicContact CG-CZ 4.27Å; L42-F55 CarbonylContact C-O 3.43Å; L42-F55 VanDerWaalsContact CA-O 3.29Å; L42-F55 WeakPolarHBondContact CA-O 3.49Å; L43-F55 HydrophobicContact CB-CB 4.4Å; L43-F55 PolarHBondContact N-O 2.86Å; L43-F55 WeakPolarHBondContact O-CD2 3.3Å; L43-F55 PolarHBondContact O-N 3.41Å; T45-F55 HydrophobicContact CG2-CE2 4.12Å; V53-F55 HydrophobicContact CB-CE2 4.14Å; V53-F55 HydrophobicContact CB-CZ 4.27Å; V53-F55 HydrophobicContact CG1-CD2 4.46Å; V53-F55 HydrophobicContact CG1-CE1 4.07Å; V53-F55 HydrophobicContact CG1-CE2 3.79Å; V53-F55 HydrophobicContact CG1-CZ 3.56Å; F55-Y71 HydrophobicContact CB-CD1 4.27Å; F55-N72 CarbonylContact C-O 3.57Å; F55-N72 WeakPolarHBondContact CA-O 3.31Å; F55-V73 HydrophobicContact CD1-CG2 3.97Å; F55-V73 HydrophobicContact CE1-CG2 3.66Å; F55-L439 HydrophobicContact CD2-CD2 4.09Å; F55-L439 HydrophobicContact CE2-CD2 3.67Å; F55-L439 HydrophobicContact CZ-CD2 4.16Å
56	Q	96	Very high	81	Confident	73 Å²	73	73.8 Å²	73.8	34%	0.341	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.7	174.3	-177.8	178.2	51.6	0	0	109.7	D41 L42 E58 Y71 N72 Y74	D41-Q56 CarbonylContact O-C 3.57Å; D41-Q56 WeakPolarHBondContact O-CA 3.45Å; L42-Q56 HydrophobicContact CD2-CB 3.68Å; L42-Q56 HydrophobicContact CD2-CG 3.83Å; Q56-E58 PolarHBondContact O-N 3.07Å; Q56-Y71 WeakPolarHBondContact O-CA 3.15Å; Q56-N72 PolarHBondContact N-O 3.21Å; Q56-N72 PolarHBondContact O-N 3.14Å; Q56-Y74 HydrophobicContact CB-CD2 3.86Å; Q56-Y74 HydrophobicContact CB-CG 3.82Å; Q56-Y74 HydrophobicContact CG-CD2 4.38Å; Q56-Y74 VanDerWaalsContact OE1-CD2 3.28Å
57	H	93.3	Very high	78.9	Confident	41 Å²	41	76.6 Å²	76.6	19%	0.19	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	122.2	172.5	-177.1	-113.3	0	0	0	109.8	D41 Q59 G69 Y71	D41-H57 PolarHBondContact O-N 3.49Å; H57-Q59 PolarHBondContact O-N 3.49Å; H57-G69 PolarHBondContact CD2-O 2.7Å; H57-G69 VanDerWaalsContact CD2-O 3.29Å; H57-G69 WeakPolarHBondContact NE2-CA 3.22Å; H57-G69 PolarHBondContact NE2-N 3.23Å; H57-G69 VanDerWaalsContact NE2-N 3.16Å; H57-G69 PolarHBondContact NE2-O 2.9Å; H57-Y71 HydrophobicContact CB-CD1 4.13Å; H57-Y71 HydrophobicContact CB-CE1 3.7Å; H57-Y71 HydrophobicContact CB-CE2 4.21Å; H57-Y71 AromaticContact CD2-CE2 3.53Å; H57-Y71 AromaticContact CD2-CZ 3.85Å
58	E	86.8	Confident	77.4	Confident	114 Å²	114	79 Å²	79	53%	0.533	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-66.9	122.2	175.5	-169.9	173.6	-169.6	0	0	110.1	Q56 G69 E70	Q56-E58 PolarHBondContact O-N 3.07Å; E58-G69 VanDerWaalsContact O-CA 3.28Å; E58-G69 WeakPolarHBondContact O-CA 3.01Å; E58-E70 WeakPolarHBondContact CB-O 3.45Å; E58-E70 PolarHBondContact N-O 3.38Å
59	Q	71.4	Confident	76.4	Confident	165 Å²	165	76.5 Å²	76.5	77%	0.771	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-66.9	142.1	177.6	-67.7	-171.9	2	0	0	110.9	H57 S61	H57-Q59 PolarHBondContact O-N 3.49Å; Q59-S61 PolarHBondContact O-N 3.21Å
60	E	58.7	Low	76.1	Confident	110 Å²	110	80.2 Å²	80.2	51%	0.514	38%	0.383	S	S	.	.			trans	-55.5	114.5	178.7	-74.2	-172.2	167.4	0	0	111.1	K62	E60-K62 PolarHBondContact O-N 2.82Å
61	S	53.8	Low	75.9	Confident	71 Å²	71	80.4 Å²	80.4	50%	0.497	38%	0.384	S	S	.	.			trans	-64.8	134.7	166.8	-179.1	0	0	0	0	109	Q59 N63 R64	Q59-S61 PolarHBondContact O-N 3.21Å; S61-N63 PolarHBondContact O-N 3.02Å; S61-R64 PolarHBondContact O-N 3.37Å
62	K	54.5	Low	75.7	Confident	211 Å²	211	79.6 Å²	79.6	92%	0.917	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-19	173.9	-69	-175.5	179	179.5	0	113.8	E60	E60-K62 PolarHBondContact O-N 2.82Å
63	N	53.3	Low	75.6	Confident	143 Å²	143	84 Å²	84	77%	0.765	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-10.1	178.8	-70.4	-15.3	0	0	0	114.8	S61	S61-N63 PolarHBondContact O-N 3.02Å
64	R	53	Low	75.5	Confident	172 Å²	172	84 Å²	84	65%	0.649	41%	0.41	S	S	*	.			trans	-142.9	66.3	-178.1	-65	-168.9	-178.7	-179.9	-1.3	113.5	S61 H66 L67	S61-R64 PolarHBondContact O-N 3.37Å; R64-H66 PolarHBondContact O-N 2.55Å; R64-L67 HydrophobicContact CB-CD1 3.98Å; R64-L67 HydrophobicContact CG-CD1 4.27Å; R64-L67 PolarHBondContact O-N 2.73Å
65	P	48.2	Very low	75.4	Confident	81 Å²	81	84.5 Å²	84.5	53%	0.526	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	5.6	-175.6	30.2	-37	0	0	0	115.8
66	H	48.6	Very low	75.4	Confident	170 Å²	170	88 Å²	88	79%	0.787	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	11.8	-179.7	-62.2	-61.2	0	0	0	112.9	R64	R64-H66 PolarHBondContact O-N 2.55Å
67	L	54.1	Low	75.5	Confident	60 Å²	60	85.5 Å²	85.5	31%	0.314	42%	0.423	S	S	.	.			trans	-116.5	104	177.7	-92.8	139.8	0	0	0	108.2	R64 G69	R64-L67 HydrophobicContact CB-CD1 3.98Å; R64-L67 HydrophobicContact CG-CD1 4.27Å; R64-L67 PolarHBondContact O-N 2.73Å; L67-G69 PolarHBondContact O-N 3.34Å
68	R	67.8	Low	75.8	Confident	60 Å²	60	87.3 Å²	87.3	23%	0.226	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-53.7	134.5	159.2	-96.7	176.4	-170.9	-101.6	-2	107.9	D428 Q443 I446	R68-D428 IonicContact CZ-OD1 3.74Å; R68-D428 VanDerWaalsContact NH1-CG 3.3Å; R68-D428 IonicContact NH1-OD1 3.64Å; R68-D428 PolarHBondContact NH1-OD1 2.91Å; R68-D428 IonicContact NH2-OD1 3.69Å; R68-D428 PolarHBondContact NH2-OD1 2.83Å; R68-Q443 VanDerWaalsContact CB-OE1 3.23Å; R68-I446 HydrophobicContact CG-CD1 3.76Å
69	G	76.9	Confident	76.3	Confident	10 Å²	10	82 Å²	82	10%	0.103	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-58.9	151.7	-175.4	0	0	0	0	0	112.7	H57 E58 L67	H57-G69 PolarHBondContact CD2-O 2.7Å; H57-G69 VanDerWaalsContact CD2-O 3.29Å; H57-G69 WeakPolarHBondContact NE2-CA 3.22Å; H57-G69 PolarHBondContact NE2-N 3.23Å; H57-G69 VanDerWaalsContact NE2-N 3.16Å; H57-G69 PolarHBondContact NE2-O 2.9Å; E58-G69 VanDerWaalsContact O-CA 3.28Å; E58-G69 WeakPolarHBondContact O-CA 3.01Å; L67-G69 PolarHBondContact O-N 3.34Å
70	E	90.3	Very high	77.6	Confident	87 Å²	87	74.2 Å²	74.2	41%	0.407	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-88.4	145.6	172.9	-82	-164.7	-150.8	0	0	110.1	Q16 E58	Q16-E70 HydrophobicContact CG-CG 4.15Å; Q16-E70 PolarHBondContact NE2-OE2 3.39Å; E58-E70 WeakPolarHBondContact CB-O 3.45Å; E58-E70 PolarHBondContact N-O 3.38Å
71	Y	94.9	Very high	79.5	Confident	4 Å²	4	75.2 Å²	75.2	2%	0.016	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	115.8	170.9	-75.7	-97.6	0	0	0	109	Q16 K18 F36 G40 L43 F55 Q56 H57 H425 V430 I441	Q16-Y71 PolarHBondContact NE2-O 2.91Å; K18-Y71 WeakPolarHBondContact CE-O 3.04Å; K18-Y71 PolarHBondContact NZ-O 2.9Å; F36-Y71 HydrophobicContact CD1-CE1 4.47Å; F36-Y71 AromaticContact CE1-CE1 3.83Å; F36-Y71 HydrophobicContact CE1-CE1 3.83Å; F36-Y71 AromaticContact CE1-CZ 3.75Å; G40-Y71 PolarHBondContact O-OH 3.36Å; L43-Y71 HydrophobicContact CB-CD1 3.85Å; L43-Y71 HydrophobicContact CB-CE1 3.99Å; F55-Y71 HydrophobicContact CB-CD1 4.27Å; Q56-Y71 WeakPolarHBondContact O-CA 3.15Å; H57-Y71 HydrophobicContact CB-CD1 4.13Å; H57-Y71 HydrophobicContact CB-CE1 3.7Å; H57-Y71 HydrophobicContact CB-CE2 4.21Å; H57-Y71 AromaticContact CD2-CE2 3.53Å; H57-Y71 AromaticContact CD2-CZ 3.85Å; Y71-H425 PolarHBondContact OH-CD2 3.08Å; Y71-H425 VanDerWaalsContact OH-CD2 3.26Å; Y71-V430 HydrophobicContact CE2-CG1 4.24Å; Y71-I441 HydrophobicContact CD2-CD1 3.95Å; Y71-I441 HydrophobicContact CD2-CG2 4.48Å; Y71-I441 HydrophobicContact CG-CD1 3.99Å
72	N	95.3	Very high	81.5	Confident	63 Å²	63	75.4 Å²	75.4	34%	0.337	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.3	-178.1	-68.4	-43.4	0	0	0	110.8	F55 Q56 Y74	F55-N72 CarbonylContact C-O 3.57Å; F55-N72 WeakPolarHBondContact CA-O 3.31Å; Q56-N72 PolarHBondContact N-O 3.21Å; Q56-N72 PolarHBondContact O-N 3.14Å; N72-Y74 PolarHBondContact O-N 3.45Å; N72-Y74 VanDerWaalsContact O-N 3.14Å
73	V	96.1	Very high	83.3	Confident	93 Å²	93	69.2 Å²	69.2	56%	0.564	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	121.9	-179	179.3	0	0	0	0	108.9	V53 F55	V53-V73 HydrophobicContact CG1-CG1 4.37Å; F55-V73 HydrophobicContact CD1-CG2 3.97Å; F55-V73 HydrophobicContact CE1-CG2 3.66Å
74	Y	96.1	Very high	85.1	Confident	24 Å²	24	66.8 Å²	66.8	9%	0.094	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-40.1	-177.8	175.5	-110.3	0	0	0	111.4	L42 I54 Q56 N72 I124 E126 V164	L42-Y74 HydrophobicContact CD2-CD1 4.07Å; L42-Y74 HydrophobicContact CD2-CE1 4.31Å; L42-Y74 HydrophobicContact CD2-CG 4.45Å; I54-Y74 HydrophobicContact CB-CD1 4.38Å; I54-Y74 HydrophobicContact CG2-CD1 3.85Å; I54-Y74 WeakPolarHBondContact O-CA 3.41Å; I54-Y74 WeakPolarHBondContact O-CB 3.24Å; I54-Y74 PolarHBondContact O-N 2.82Å; Q56-Y74 HydrophobicContact CB-CD2 3.86Å; Q56-Y74 HydrophobicContact CB-CG 3.82Å; Q56-Y74 HydrophobicContact CG-CD2 4.38Å; Q56-Y74 VanDerWaalsContact OE1-CD2 3.28Å; N72-Y74 PolarHBondContact O-N 3.45Å; N72-Y74 VanDerWaalsContact O-N 3.14Å; Y74-I124 HydrophobicContact CD1-CG2 4.44Å; Y74-I124 HydrophobicContact CE1-CG2 3.66Å; Y74-E126 HydrophobicContact CE2-CG 4.41Å; Y74-E126 WeakPolarHBondContact CE2-OE1 3.26Å; Y74-E126 WeakPolarHBondContact OH-CG 3.24Å; Y74-E126 PolarHBondContact OH-OE1 2.97Å; Y74-V164 HydrophobicContact CD1-CG1 4.14Å; Y74-V164 HydrophobicContact CD2-CG2 3.87Å; Y74-V164 HydrophobicContact CE1-CG1 3.65Å; Y74-V164 HydrophobicContact CE1-CG2 4.4Å; Y74-V164 HydrophobicContact CE2-CB 4.44Å; Y74-V164 HydrophobicContact CE2-CG1 4.18Å; Y74-V164 HydrophobicContact CE2-CG2 3.39Å
75	S	96.9	Very high	86.6	Confident	11 Å²	11	60.6 Å²	60.6	8%	0.077	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	145.3	174.8	-166.5	0	0	0	0	111.1	I54	I54-S75 PolarHBondContact N-O 3.32Å; I54-S75 PolarHBondContact O-N 3.3Å; I54-S75 VanDerWaalsContact O-N 3.13Å
76	T	97.8	Very high	88.4	Confident	84 Å²	84	65.7 Å²	65.7	52%	0.515	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.5	172.9	-58.8	0	0	0	0	107.8	V52 V53	V52-T76 WeakPolarHBondContact O-CA 3.29Å; V53-T76 HydrophobicContact CG2-CG2 4.31Å
77	F	98.4	Very high	90.2	Very high	21 Å²	21	65.7 Å²	65.7	9%	0.092	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152	176.2	57.6	-87.2	0	0	0	111.9	R51 V52 I54 S79 W122 I124 A166	R51-F77 WeakPolarHBondContact CA-O 2.96Å; V52-F77 HydrophobicContact CB-CD2 4.31Å; V52-F77 HydrophobicContact CB-CE1 4.02Å; V52-F77 HydrophobicContact CB-CE2 3.73Å; V52-F77 HydrophobicContact CB-CZ 3.58Å; V52-F77 HydrophobicContact CG1-CE1 3.87Å; V52-F77 HydrophobicContact CG1-CE2 4.23Å; V52-F77 HydrophobicContact CG1-CZ 3.56Å; V52-F77 HydrophobicContact CG2-CE2 4.13Å; V52-F77 HydrophobicContact CG2-CZ 4.26Å; V52-F77 PolarHBondContact N-O 2.84Å; V52-F77 PolarHBondContact O-N 3.39Å; I54-F77 HydrophobicContact CD1-CE1 3.89Å; I54-F77 HydrophobicContact CG1-CE1 4.41Å; F77-S79 PolarHBondContact O-N 3.05Å; F77-W122 AromaticContact CD2-CD2 3.89Å; F77-W122 HydrophobicContact CD2-CD2 3.89Å; F77-W122 AromaticContact CD2-CE3 3.61Å; F77-W122 HydrophobicContact CD2-CE3 3.61Å; F77-W122 AromaticContact CD2-CH2 3.85Å; F77-W122 HydrophobicContact CD2-CH2 3.85Å; F77-W122 HydrophobicContact CD2-CZ2 4.14Å; F77-W122 AromaticContact CD2-CZ3 3.56Å; F77-W122 HydrophobicContact CD2-CZ3 3.56Å; F77-W122 HydrophobicContact CE2-CB 4.41Å; F77-W122 AromaticContact CE2-CD2 3.32Å; F77-W122 HydrophobicContact CE2-CD2 3.32Å; F77-W122 AromaticContact CE2-CE2 3.64Å; F77-W122 AromaticContact CE2-CE3 3.48Å; F77-W122 HydrophobicContact CE2-CE3 3.48Å; F77-W122 VanDerWaalsContact CE2-CE3 3.48Å; F77-W122 AromaticContact CE2-CG 3.71Å; F77-W122 HydrophobicContact CE2-CG 3.71Å; F77-W122 HydrophobicContact CE2-CH2 4.24Å; F77-W122 HydrophobicContact CE2-CZ2 4.15Å; F77-W122 AromaticContact CE2-CZ3 3.92Å; F77-W122 HydrophobicContact CE2-CZ3 3.92Å; F77-W122 HydrophobicContact CG-CE3 4.43Å; F77-W122 HydrophobicContact CG-CZ3 4.33Å; F77-W122 HydrophobicContact CZ-CB 4.29Å; F77-W122 HydrophobicContact CZ-CD2 4.05Å; F77-W122 HydrophobicContact CZ-CE3 4.2Å; F77-W122 HydrophobicContact CZ-CG 4.05Å; F77-I124 HydrophobicContact CE1-CD1 4.49Å; F77-I124 HydrophobicContact CE1-CG1 4.49Å; F77-I124 HydrophobicContact CZ-CD1 4.5Å; F77-A166 HydrophobicContact CB-CB 4Å; F77-A166 HydrophobicContact CD1-CB 3.25Å; F77-A166 HydrophobicContact CD2-CB 4.35Å; F77-A166 HydrophobicContact CE1-CB 3.71Å; F77-A166 HydrophobicContact CG-CB 3.61Å; F77-A166 HydrophobicContact CZ-CB 4.42Å
78	Q	98.5	Very high	91.6	Very high	80 Å²	80	69.3 Å²	69.3	37%	0.374	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	113.5	170.1	-167	67.4	44	0	0	108.4	G49 G50 R51 H80 E81 W122	G49-Q78 PolarHBondContact O-NE2 3.29Å; G50-Q78 PolarHBondContact O-NE2 2.86Å; R51-Q78 VanDerWaalsContact CG-OE1 3.28Å; Q78-H80 PolarHBondContact NE2-O 3.36Å; Q78-E81 HydrophobicContact CG-CG 3.94Å; Q78-W122 WeakPolarHBondContact O-CH2 3.44Å
79	S	98.6	Very high	92.7	Very high	2 Å²	2	71 Å²	71	1%	0.014	36%	0.361	C	S	.	.			trans	-85.9	-49.1	179.7	174.6	0	0	0	0	111.2	G50 F77 S113 K120 W122	G50-S79 WeakPolarHBondContact O-CA 3.16Å; G50-S79 WeakPolarHBondContact O-CB 3.27Å; G50-S79 PolarHBondContact O-N 2.78Å; F77-S79 PolarHBondContact O-N 3.05Å; S79-S113 PolarHBondContact OG-OG 2.77Å; S79-K120 VanDerWaalsContact O-CD 3.25Å; S79-K120 WeakPolarHBondContact O-CD 3.39Å; S79-K120 WeakPolarHBondContact O-CE 3.25Å; S79-K120 PolarHBondContact O-NZ 2.86Å; S79-W122 VanDerWaalsContact CA-CZ2 3.48Å; S79-W122 WeakPolarHBondContact O-CZ2 3.34Å; S79-W122 PolarHBondContact OG-NE1 2.72Å
80	H	98.5	Very high	93.2	Very high	1 Å²	1	73.5 Å²	73.5	1%	0.005	37%	0.372	C	S	.	.			trans	-128.4	148.7	-177.4	-70.2	70.8	0	0	0	109.8	G50 Q78 E94 I96 T118	G50-H80 PolarHBondContact O-N 2.95Å; Q78-H80 PolarHBondContact NE2-O 3.36Å; H80-E94 HydrophobicContact CB-CB 4.19Å; H80-E94 WeakPolarHBondContact CB-O 2.92Å; H80-I96 HydrophobicContact CB-CD1 4.08Å; H80-I96 WeakPolarHBondContact ND1-CD1 3.48Å; H80-T118 PolarHBondContact NE2-O 3.34Å
81	E	97.2	Very high	93.3	Very high	132 Å²	132	75.6 Å²	75.6	62%	0.617	38%	0.382	S	S	*	.			trans	-121	155.5	173.6	-68.9	-176	160.2	0	0	107.2	Q78 E83	Q78-E81 HydrophobicContact CG-CG 3.94Å; E81-E83 PolarHBondContact O-N 3.25Å
82	P	95.5	Very high	93.2	Very high	74 Å²	74	76.3 Å²	76.3	48%	0.481	39%	0.386	S	S	.	.			trans	-59.2	131.4	178.6	-0.9	-0.3	0	0	0	110.1	E94	P82-E94 WeakPolarHBondContact CB-OE2 3.44Å; P82-E94 WeakPolarHBondContact CG-OE1 3.48Å; P82-E94 VanDerWaalsContact CG-OE2 3.32Å; P82-E94 WeakPolarHBondContact CG-OE2 3.31Å
83	E	93.2	Very high	93.2	Very high	81 Å²	81	78.2 Å²	78.2	38%	0.379	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	154.9	176.4	-72	175	-164.4	0	0	109.3	E81 I92	E81-E83 PolarHBondContact O-N 3.25Å; E83-I92 HydrophobicContact CB-CB 4.01Å; E83-I92 HydrophobicContact CB-CD1 4.22Å; E83-I92 HydrophobicContact CB-CG2 4.48Å; E83-I92 PolarHBondContact N-O 2.89Å; E83-I92 PolarHBondContact O-N 2.95Å
84	F	90.8	Very high	93.3	Very high	93 Å²	93	76 Å²	76	41%	0.408	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.2	178.3	-166.7	-95	0	0	0	110.9	Y86 E91	F84-Y86 AromaticContact CD1-CD1 3.45Å; F84-Y86 HydrophobicContact CD1-CD1 3.45Å; F84-Y86 VanDerWaalsContact CD1-CD1 3.45Å; F84-Y86 HydrophobicContact CD1-CD2 4.21Å; F84-Y86 AromaticContact CD1-CE1 3.6Å; F84-Y86 HydrophobicContact CD1-CE1 3.6Å; F84-Y86 HydrophobicContact CD1-CE2 4.36Å; F84-Y86 AromaticContact CD1-CG 3.77Å; F84-Y86 HydrophobicContact CD1-CG 3.77Å; F84-Y86 AromaticContact CE1-CD1 3.7Å; F84-Y86 HydrophobicContact CE1-CD1 3.7Å; F84-Y86 HydrophobicContact CE1-CE1 4.12Å; F84-Y86 HydrophobicContact CE1-CG 4.22Å; F84-Y86 PolarHBondContact O-N 3.44Å; F84-E91 HydrophobicContact CD2-CB 4.07Å; F84-E91 HydrophobicContact CE2-CB 4.33Å
85	D	84.6	Confident	93.4	Very high	41 Å²	41	77.6 Å²	77.6	22%	0.219	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	95.1	170.4	-175.4	-23	0	0	0	108.7	L87 K88 S89 L90	D85-L87 PolarHBondContact O-N 2.88Å; D85-L87 WeakPolarHBondContact OD1-CB 3.47Å; D85-L87 PolarHBondContact OD1-N 3.1Å; D85-K88 HydrophobicContact CB-CB 4.36Å; D85-K88 PolarHBondContact O-N 3.08Å; D85-K88 PolarHBondContact OD1-N 3Å; D85-K88 VanDerWaalsContact OD2-CD 3.27Å; D85-K88 WeakPolarHBondContact OD2-CD 3.01Å; D85-K88 WeakPolarHBondContact OD2-CG 3.3Å; D85-K88 IonicContact OD2-NZ 2.65Å; D85-S89 WeakPolarHBondContact O-CA 3.33Å; D85-S89 PolarHBondContact O-N 3.04Å; D85-L90 HydrophobicContact CB-CB 4.4Å; D85-L90 PolarHBondContact N-O 2.9Å; D85-L90 PolarHBondContact O-N 3.38Å; D85-L90 VanDerWaalsContact O-N 3.1Å
86	Y	87.1	Confident	93.5	Very high	188 Å²	188	77 Å²	77	74%	0.737	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.2	179.5	-65.1	-80.8	0	0	0	113.8	F84	F84-Y86 AromaticContact CD1-CD1 3.45Å; F84-Y86 HydrophobicContact CD1-CD1 3.45Å; F84-Y86 VanDerWaalsContact CD1-CD1 3.45Å; F84-Y86 HydrophobicContact CD1-CD2 4.21Å; F84-Y86 AromaticContact CD1-CE1 3.6Å; F84-Y86 HydrophobicContact CD1-CE1 3.6Å; F84-Y86 HydrophobicContact CD1-CE2 4.36Å; F84-Y86 AromaticContact CD1-CG 3.77Å; F84-Y86 HydrophobicContact CD1-CG 3.77Å; F84-Y86 AromaticContact CE1-CD1 3.7Å; F84-Y86 HydrophobicContact CE1-CD1 3.7Å; F84-Y86 HydrophobicContact CE1-CE1 4.12Å; F84-Y86 HydrophobicContact CE1-CG 4.22Å; F84-Y86 PolarHBondContact O-N 3.44Å
87	L	85.8	Confident	93.5	Very high	170 Å²	170	73.8 Å²	73.8	89%	0.89	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-35.6	-178.2	-63.1	176.4	0	0	0	111	D85	D85-L87 PolarHBondContact O-N 2.88Å; D85-L87 WeakPolarHBondContact OD1-CB 3.47Å; D85-L87 PolarHBondContact OD1-N 3.1Å
88	K	83.6	Confident	93.5	Very high	136 Å²	136	74.3 Å²	74.3	59%	0.591	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.6	176.9	-63.1	-177.5	-168	156.2	0	113.6	D85 L90	D85-K88 HydrophobicContact CB-CB 4.36Å; D85-K88 PolarHBondContact O-N 3.08Å; D85-K88 PolarHBondContact OD1-N 3Å; D85-K88 VanDerWaalsContact OD2-CD 3.27Å; D85-K88 WeakPolarHBondContact OD2-CD 3.01Å; D85-K88 WeakPolarHBondContact OD2-CG 3.3Å; D85-K88 IonicContact OD2-NZ 2.65Å; K88-L90 HydrophobicContact CB-CB 4.06Å; K88-L90 PolarHBondContact O-N 3.02Å
89	S	89.9	Confident	93.5	Very high	95 Å²	95	70.5 Å²	70.5	66%	0.664	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	44.2	-169.7	-57.4	0	0	0	0	111.8	D85	D85-S89 WeakPolarHBondContact O-CA 3.33Å; D85-S89 PolarHBondContact O-N 3.04Å
90	L	88.6	Confident	93.5	Very high	64 Å²	64	71.8 Å²	71.8	34%	0.335	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.7	-175.5	-178.6	68.5	0	0	0	109.8	D85 K88	D85-L90 HydrophobicContact CB-CB 4.4Å; D85-L90 PolarHBondContact N-O 2.9Å; D85-L90 PolarHBondContact O-N 3.38Å; D85-L90 VanDerWaalsContact O-N 3.1Å; K88-L90 HydrophobicContact CB-CB 4.06Å; K88-L90 PolarHBondContact O-N 3.02Å
91	E	91.9	Very high	93.5	Very high	131 Å²	131	72.1 Å²	72.1	61%	0.612	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	134	167.3	-173.7	168.7	-166.1	0	0	109.7	F84	F84-E91 HydrophobicContact CD2-CB 4.07Å; F84-E91 HydrophobicContact CE2-CB 4.33Å
92	I	92.9	Very high	93.6	Very high	19 Å²	19	66.9 Å²	66.9	10%	0.097	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	105.5	175.2	-59.3	170.3	0	0	0	106.1	E83 K117	E83-I92 HydrophobicContact CB-CB 4.01Å; E83-I92 HydrophobicContact CB-CD1 4.22Å; E83-I92 HydrophobicContact CB-CG2 4.48Å; E83-I92 PolarHBondContact N-O 2.89Å; E83-I92 PolarHBondContact O-N 2.95Å; I92-K117 HydrophobicContact CD1-CB 4.33Å; I92-K117 HydrophobicContact CD1-CG 3.91Å; I92-K117 HydrophobicContact CG1-CG 4.02Å; I92-K117 HydrophobicContact CG2-CB 4.09Å; I92-K117 HydrophobicContact CG2-CG 3.85Å
93	E	95.7	Very high	93.5	Very high	103 Å²	103	65 Å²	65	48%	0.481	31%	0.313	S	S	.	.			trans	-59.5	143.3	178.2	-63.9	-179.9	-159.7	0	0	111.5	K95 N115	E93-K95 HydrophobicContact CB-CB 4.26Å; E93-K95 PolarHBondContact O-N 3.12Å; E93-N115 PolarHBondContact O-ND2 2.86Å
94	E	97.7	Very high	93.4	Very high	46 Å²	46	66.2 Å²	66.2	22%	0.215	32%	0.319	C	S	.	.			trans	-76.1	-10.4	172.9	64.1	-91.7	-140.5	0	0	113.5	G49 G50 H80 P82 I96	G49-E94 VanDerWaalsContact C-CG 3.43Å; G50-E94 WeakPolarHBondContact CA-O 3.33Å; H80-E94 HydrophobicContact CB-CB 4.19Å; H80-E94 WeakPolarHBondContact CB-O 2.92Å; P82-E94 WeakPolarHBondContact CB-OE2 3.44Å; P82-E94 WeakPolarHBondContact CG-OE1 3.48Å; P82-E94 VanDerWaalsContact CG-OE2 3.32Å; P82-E94 WeakPolarHBondContact CG-OE2 3.31Å; E94-I96 PolarHBondContact O-N 3.42Å
95	K	98.4	Very high	93.3	Very high	57 Å²	57	68.7 Å²	68.7	25%	0.248	33%	0.332	C	S	.	.			trans	-46.1	125.5	-179.4	168.8	175.4	161.2	-84	0	112.1	K48 E93 N97 N115	K48-K95 HydrophobicContact CG-CD 4.13Å; K48-K95 HydrophobicContact CG-CG 4.32Å; K48-K95 VanDerWaalsContact O-CA 3.29Å; K48-K95 WeakPolarHBondContact O-CA 3.3Å; K48-K95 PolarHBondContact O-N 2.81Å; E93-K95 HydrophobicContact CB-CB 4.26Å; E93-K95 PolarHBondContact O-N 3.12Å; K95-N97 PolarHBondContact NZ-OD1 2.67Å; K95-N97 PolarHBondContact O-N 3.47Å; K95-N115 WeakPolarHBondContact O-CA 3.36Å; K95-N115 VanDerWaalsContact O-CB 3.26Å; K95-N115 WeakPolarHBondContact O-CB 3.3Å
96	I	98.7	Very high	93.7	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.342	C	S	.	.			trans	-78.1	112	177.2	-51.4	-56.3	0	0	0	109.3	S32 T33 D47 V52 H80 E94 I99 T114	S32-I96 WeakPolarHBondContact CB-O 3.4Å; S32-I96 PolarHBondContact OG-O 2.83Å; T33-I96 HydrophobicContact CG2-CB 4.43Å; T33-I96 HydrophobicContact CG2-CG2 3.83Å; D47-I96 PolarHBondContact O-N 3.12Å; V52-I96 HydrophobicContact CG2-CG1 4.44Å; H80-I96 HydrophobicContact CB-CD1 4.08Å; H80-I96 WeakPolarHBondContact ND1-CD1 3.48Å; E94-I96 PolarHBondContact O-N 3.42Å; I96-I99 HydrophobicContact CG2-CD1 4.32Å; I96-I99 HydrophobicContact CG2-CG1 3.92Å; I96-T114 CarbonylContact C-O 3.56Å
97	N	98.4	Very high	94	Very high	15 Å²	15	66.1 Å²	66.1	8%	0.08	34%	0.343	C	S	.	.			trans	-77.8	-43.7	-179.4	-72.2	-13.7	0	0	0	112.6	K95 T114 D116 I180	K95-N97 PolarHBondContact NZ-OD1 2.67Å; K95-N97 PolarHBondContact O-N 3.47Å; N97-T114 HydrophobicContact CB-CG2 4.28Å; N97-T114 PolarHBondContact N-O 3.21Å; N97-D116 PolarHBondContact ND2-N 3.17Å; N97-D116 PolarHBondContact ND2-OD1 2.86Å; N97-I180 PolarHBondContact ND2-O 3.14Å
98	K	98.7	Very high	94.4	Very high	32 Å²	32	58.2 Å²	58.2	14%	0.139	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	148.5	-178.6	-65.6	-63	178.2	-140.4	0	111.3	S113 T114 I183 E347	K98-S113 WeakPolarHBondContact O-CA 3.46Å; K98-T114 HydrophobicContact CB-CG2 4Å; K98-T114 PolarHBondContact O-N 3.06Å; K98-T114 VanDerWaalsContact O-N 3.12Å; K98-I183 HydrophobicContact CB-CD1 4.15Å; K98-I183 HydrophobicContact CB-CG1 3.75Å; K98-E347 IonicContact NZ-OE1 2.89Å; K98-E347 PolarHBondContact NZ-OE1 3.13Å
99	I	98.8	Very high	95.1	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.7	166.5	-66.8	168.5	0	0	0	108.4	T33 E35 A44 V52 I96 L111 L112	T33-I99 HydrophobicContact CG2-CB 4.34Å; T33-I99 HydrophobicContact CG2-CD1 3.79Å; T33-I99 HydrophobicContact CG2-CG1 3.78Å; E35-I99 HydrophobicContact CB-CB 4.42Å; E35-I99 HydrophobicContact CB-CG2 4.37Å; A44-I99 HydrophobicContact CB-CD1 4.15Å; A44-I99 HydrophobicContact CB-CG2 4.14Å; V52-I99 HydrophobicContact CG1-CD1 4.06Å; V52-I99 HydrophobicContact CG2-CD1 4.05Å; I96-I99 HydrophobicContact CG2-CD1 4.32Å; I96-I99 HydrophobicContact CG2-CG1 3.92Å; I99-L111 HydrophobicContact CG2-CB 4.4Å; I99-L111 HydrophobicContact CG2-CD1 4.33Å; I99-L112 CarbonylContact C-O 3.59Å; I99-L112 VanDerWaalsContact CA-O 3.3Å; I99-L112 WeakPolarHBondContact CA-O 3.24Å
100	R	98.6	Very high	95.5	Very high	30 Å²	30	50 Å²	50	11%	0.113	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.3	170.2	-69.6	-67.4	177.1	-118.5	-13.6	110.2	E35 L111 L112 I183 V185	E35-R100 WeakPolarHBondContact OE1-CD 3.48Å; E35-R100 IonicContact OE1-CZ 2.71Å; E35-R100 IonicContact OE1-NE 3.44Å; E35-R100 IonicContact OE1-NH1 3.16Å; E35-R100 PolarHBondContact OE1-NH1 3.27Å; E35-R100 IonicContact OE2-NH1 2.67Å; E35-R100 PolarHBondContact OE2-NH1 3.03Å; R100-L111 CarbonylContact O-C 3.5Å; R100-L111 WeakPolarHBondContact O-CA 3.4Å; R100-L112 PolarHBondContact N-O 2.83Å; R100-L112 PolarHBondContact O-N 2.77Å; R100-I183 HydrophobicContact CB-CD1 4.22Å; R100-I183 HydrophobicContact CG-CD1 4.05Å; R100-I183 HydrophobicContact CG-CG1 3.86Å; R100-I183 WeakPolarHBondContact CG-O 3.5Å; R100-I183 PolarHBondContact NE-O 2.96Å; R100-V185 HydrophobicContact CB-CG2 4.29Å
101	W	98.5	Very high	95.9	Very high	7 Å²	7	46.9 Å²	46.9	3%	0.027	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	149.5	173.7	-67.6	93	0	0	0	110.8	E35 F36 N37 Y38 L42 A44 I54 H109 L111	E35-W101 PolarHBondContact O-NE1 2.83Å; E35-W101 VanDerWaalsContact O-NE1 3.17Å; F36-W101 VanDerWaalsContact C-CD1 3.44Å; N37-W101 VanDerWaalsContact CA-CD1 3.43Å; N37-W101 HydrophobicContact CB-CB 4.26Å; N37-W101 HydrophobicContact CB-CD2 3.55Å; N37-W101 HydrophobicContact CB-CE3 4.01Å; N37-W101 HydrophobicContact CB-CG 3.67Å; N37-W101 HydrophobicContact CB-CZ2 4.26Å; Y38-W101 HydrophobicContact CD2-CB 4.28Å; Y38-W101 HydrophobicContact CE2-CB 4.23Å; Y38-W101 WeakPolarHBondContact CE2-O 3.07Å; L42-W101 HydrophobicContact CB-CH2 3.89Å; L42-W101 HydrophobicContact CB-CZ2 3.87Å; L42-W101 HydrophobicContact CD1-CH2 3.66Å; L42-W101 HydrophobicContact CD1-CZ2 4.46Å; L42-W101 HydrophobicContact CD1-CZ3 3.94Å; L42-W101 HydrophobicContact CG-CH2 4.43Å; A44-W101 HydrophobicContact CB-CZ2 3.69Å; I54-W101 HydrophobicContact CD1-CH2 3.96Å; I54-W101 HydrophobicContact CG1-CH2 4.34Å; I54-W101 HydrophobicContact CG2-CH2 3.96Å; I54-W101 HydrophobicContact CG2-CZ2 4.24Å; W101-H109 HydrophobicContact CE3-CB 4.49Å; W101-H109 HydrophobicContact CZ3-CB 3.84Å; W101-L111 HydrophobicContact CD2-CB 4.12Å; W101-L111 HydrophobicContact CD2-CD2 4.5Å; W101-L111 HydrophobicContact CE3-CB 3.89Å; W101-L111 HydrophobicContact CE3-CD2 4.23Å; W101-L111 HydrophobicContact CH2-CD2 3.84Å; W101-L111 HydrophobicContact CZ2-CD2 4.13Å; W101-L111 HydrophobicContact CZ3-CB 4.3Å; W101-L111 HydrophobicContact CZ3-CD2 3.87Å
102	L	97.9	Very high	96.3	Very high	23 Å²	23	40.7 Å²	40.7	12%	0.12	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-93.5	148.3	164.9	-84.7	68.1	0	0	0	109.3	Q104 F110 L112 L121 V185 L205	L102-Q104 PolarHBondContact O-N 3.09Å; L102-F110 HydrophobicContact CB-CB 3.98Å; L102-F110 HydrophobicContact CD2-CB 4.16Å; L102-F110 PolarHBondContact N-O 3.22Å; L102-L112 HydrophobicContact CD1-CD1 4.11Å; L102-L112 HydrophobicContact CD1-CG 3.79Å; L102-L121 HydrophobicContact CD1-CD1 4.06Å; L102-L121 HydrophobicContact CD2-CD1 3.96Å; L102-V185 HydrophobicContact CD1-CG2 4.05Å; L102-V185 HydrophobicContact CG-CG2 4.42Å; L102-L205 HydrophobicContact CD2-CD1 3.71Å; L102-L205 HydrophobicContact CD2-CD2 3.97Å; L102-L205 HydrophobicContact CD2-CG 4.47Å
103	P	94.4	Very high	96.6	Very high	33 Å²	33	39.8 Å²	39.8	21%	0.214	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-55.2	134.1	169.9	-27.6	37.8	0	0	0	111.1	Y38 Q105	Y38-P103 HydrophobicContact CD2-CG 4.34Å; Y38-P103 HydrophobicContact CE1-CG 4.42Å; Y38-P103 HydrophobicContact CE2-CB 4.43Å; Y38-P103 HydrophobicContact CE2-CG 3.74Å; P103-Q105 PolarHBondContact O-N 2.96Å
104	Q	90.9	Very high	96.7	Very high	107 Å²	107	34.9 Å²	34.9	50%	0.5	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-70.3	118.2	-175.5	-175.7	174	-0	0	0	111.1	L102 N106 H109	L102-Q104 PolarHBondContact O-N 3.09Å; Q104-N106 WeakPolarHBondContact CG-O 3.24Å; Q104-N106 PolarHBondContact NE2-O 2.89Å; Q104-H109 VanDerWaalsContact CD-CE1 3.5Å; Q104-H109 PolarHBondContact NE2-CE1 2.77Å; Q104-H109 PolarHBondContact OE1-CE1 2.87Å; Q104-H109 VanDerWaalsContact OE1-CE1 3.24Å
105	Q	88.1	Confident	96.7	Very high	146 Å²	146	32.7 Å²	32.7	68%	0.682	17%	0.172	S	C	*	.			trans	-100.4	-21.6	178.5	-67.1	-176.9	-18.1	0	0	113.6	P103	P103-Q105 PolarHBondContact O-N 2.96Å
106	N	92.3	Very high	96.7	Very high	82 Å²	82	31.1 Å²	31.1	44%	0.439	17%	0.167	S	C	.	.	S	Bend	trans	-150.8	-169.6	-178.6	57.4	58.4	0	0	0	110.1	Q104 A108	Q104-N106 WeakPolarHBondContact CG-O 3.24Å; Q104-N106 PolarHBondContact NE2-O 2.89Å; N106-A108 PolarHBondContact O-N 3.2Å; N106-A108 VanDerWaalsContact O-N 3.15Å; N106-A108 WeakPolarHBondContact OD1-CA 3.42Å; N106-A108 VanDerWaalsContact OD1-CB 3.27Å; N106-A108 WeakPolarHBondContact OD1-CB 3.4Å; N106-A108 PolarHBondContact OD1-N 3.03Å; N106-A108 PolarHBondContact OD1-O 3.16Å
107	A	93.4	Very high	96.5	Very high	92 Å²	92	32.4 Å²	32.4	76%	0.76	17%	0.172	S	C	*	.	S	Bend	trans	-61.9	-20.2	180	0	0	0	0	0	113.9
108	A	95.6	Very high	96.5	Very high	4 Å²	4	32 Å²	32	3%	0.033	17%	0.17	C	C	.	.	S	Bend	trans	-87.3	150.4	176	0	0	0	0	0	111.5	N106 F110 K123 I124	N106-A108 PolarHBondContact O-N 3.2Å; N106-A108 VanDerWaalsContact O-N 3.15Å; N106-A108 WeakPolarHBondContact OD1-CA 3.42Å; N106-A108 VanDerWaalsContact OD1-CB 3.27Å; N106-A108 WeakPolarHBondContact OD1-CB 3.4Å; N106-A108 PolarHBondContact OD1-N 3.03Å; N106-A108 PolarHBondContact OD1-O 3.16Å; A108-F110 HydrophobicContact CB-CE2 3.9Å; A108-F110 HydrophobicContact CB-CZ 4.24Å; A108-K123 HydrophobicContact CB-CD 4.17Å; A108-K123 HydrophobicContact CB-CG 3.89Å; A108-I124 WeakPolarHBondContact CA-O 3.18Å; A108-I124 WeakPolarHBondContact CB-O 3.32Å
109	H	97.3	Very high	96.5	Very high	27 Å²	27	30.4 Å²	30.4	13%	0.125	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	149.9	171.1	-55.3	-77.7	0	0	0	110.5	L42 W101 Q104 K123 I124	L42-H109 HydrophobicContact CD1-CB 4.22Å; W101-H109 HydrophobicContact CE3-CB 4.49Å; W101-H109 HydrophobicContact CZ3-CB 3.84Å; Q104-H109 VanDerWaalsContact CD-CE1 3.5Å; Q104-H109 PolarHBondContact NE2-CE1 2.77Å; Q104-H109 PolarHBondContact OE1-CE1 2.87Å; Q104-H109 VanDerWaalsContact OE1-CE1 3.24Å; H109-K123 WeakPolarHBondContact O-CA 3.22Å; H109-I124 HydrophobicContact CB-CB 4.37Å; H109-I124 PolarHBondContact N-O 3.46Å; H109-I124 PolarHBondContact O-N 3.05Å
110	F	98.2	Very high	96.5	Very high	31 Å²	31	31.8 Å²	31.8	14%	0.136	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.9	-179.7	-64.2	-96.8	0	0	0	109.8	L102 A108 L121 W122 K123 R169	L102-F110 HydrophobicContact CB-CB 3.98Å; L102-F110 HydrophobicContact CD2-CB 4.16Å; L102-F110 PolarHBondContact N-O 3.22Å; A108-F110 HydrophobicContact CB-CE2 3.9Å; A108-F110 HydrophobicContact CB-CZ 4.24Å; F110-L121 HydrophobicContact CB-CD1 4.25Å; F110-L121 HydrophobicContact CD1-CD1 4.44Å; F110-W122 VanDerWaalsContact CA-O 3.26Å; F110-W122 WeakPolarHBondContact CA-O 3.49Å; F110-K123 HydrophobicContact CD1-CB 3.89Å; F110-K123 HydrophobicContact CD1-CG 4.17Å; F110-K123 HydrophobicContact CE1-CB 3.61Å; F110-K123 HydrophobicContact CE1-CD 3.93Å; F110-K123 HydrophobicContact CE1-CG 3.6Å; F110-K123 HydrophobicContact CE2-CG 4.47Å; F110-K123 HydrophobicContact CZ-CB 4.32Å; F110-K123 HydrophobicContact CZ-CD 3.9Å; F110-K123 HydrophobicContact CZ-CG 3.77Å; F110-R169 HydrophobicContact CE1-CG 4.5Å
111	L	98.4	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.1	174.5	64.5	84.3	0	0	0	110.5	I54 I99 R100 W101 W122 I124	I54-L111 HydrophobicContact CD1-CD2 3.86Å; I54-L111 HydrophobicContact CG1-CD2 4.46Å; I99-L111 HydrophobicContact CG2-CB 4.4Å; I99-L111 HydrophobicContact CG2-CD1 4.33Å; R100-L111 CarbonylContact O-C 3.5Å; R100-L111 WeakPolarHBondContact O-CA 3.4Å; W101-L111 HydrophobicContact CD2-CB 4.12Å; W101-L111 HydrophobicContact CD2-CD2 4.5Å; W101-L111 HydrophobicContact CE3-CB 3.89Å; W101-L111 HydrophobicContact CE3-CD2 4.23Å; W101-L111 HydrophobicContact CH2-CD2 3.84Å; W101-L111 HydrophobicContact CZ2-CD2 4.13Å; W101-L111 HydrophobicContact CZ3-CB 4.3Å; W101-L111 HydrophobicContact CZ3-CD2 3.87Å; L111-W122 HydrophobicContact CD1-CB 3.94Å; L111-W122 HydrophobicContact CD1-CG 4.22Å; L111-W122 HydrophobicContact CG-CB 4.15Å; L111-W122 PolarHBondContact N-O 3.01Å; L111-W122 VanDerWaalsContact N-O 3.16Å; L111-W122 PolarHBondContact O-N 2.84Å; L111-I124 HydrophobicContact CD2-CD1 4.19Å; L111-I124 HydrophobicContact CG-CD1 4.23Å
112	L	98.8	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135.6	165.4	-66.7	167.9	0	0	0	108.6	I99 R100 L102 I119 K120 L121 F172 I183 V185 Y192 L205	I99-L112 CarbonylContact C-O 3.59Å; I99-L112 VanDerWaalsContact CA-O 3.3Å; I99-L112 WeakPolarHBondContact CA-O 3.24Å; R100-L112 PolarHBondContact N-O 2.83Å; R100-L112 PolarHBondContact O-N 2.77Å; L102-L112 HydrophobicContact CD1-CD1 4.11Å; L102-L112 HydrophobicContact CD1-CG 3.79Å; L112-I119 HydrophobicContact CB-CG2 4.21Å; L112-I119 HydrophobicContact CD2-CG2 3.93Å; L112-K120 WeakPolarHBondContact CA-O 3.41Å; L112-L121 HydrophobicContact CD2-CB 3.93Å; L112-L121 HydrophobicContact CD2-CD1 3.97Å; L112-L121 HydrophobicContact CG-CD1 4.43Å; L112-F172 HydrophobicContact CD2-CE2 4.14Å; L112-I183 HydrophobicContact CB-CD1 3.85Å; L112-V185 HydrophobicContact CD1-CG2 3.96Å; L112-Y192 HydrophobicContact CD1-CD1 4.03Å; L112-Y192 HydrophobicContact CD1-CD2 3.8Å; L112-Y192 HydrophobicContact CD1-CE1 4.36Å; L112-Y192 HydrophobicContact CD1-CE2 4.19Å; L112-Y192 HydrophobicContact CD1-CG 3.73Å; L112-Y192 HydrophobicContact CD2-CE1 4.48Å; L112-L205 HydrophobicContact CD1-CD2 4.37Å; L112-L205 HydrophobicContact CD2-CD2 4.48Å
113	S	98.8	Very high	96.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.2	166.4	60	0	0	0	0	109.3	S79 K98 I119 K120 W122	S79-S113 PolarHBondContact OG-OG 2.77Å; K98-S113 WeakPolarHBondContact O-CA 3.46Å; S113-I119 CarbonylContact O-C 3.58Å; S113-I119 WeakPolarHBondContact O-CA 3.5Å; S113-K120 PolarHBondContact N-O 2.86Å; S113-K120 PolarHBondContact O-N 2.91Å; S113-W122 VanDerWaalsContact OG-CD1 3.29Å; S113-W122 PolarHBondContact OG-NE1 2.81Å; S113-W122 VanDerWaalsContact OG-NE1 3.08Å
114	T	98.8	Very high	96.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.3	178	-169.6	0	0	0	0	111.3	I96 N97 K98 T118 I180 I183	I96-T114 CarbonylContact C-O 3.56Å; N97-T114 HydrophobicContact CB-CG2 4.28Å; N97-T114 PolarHBondContact N-O 3.21Å; K98-T114 HydrophobicContact CB-CG2 4Å; K98-T114 PolarHBondContact O-N 3.06Å; K98-T114 VanDerWaalsContact O-N 3.12Å; T114-T118 WeakPolarHBondContact CA-O 3.42Å; T114-T118 PolarHBondContact OG1-O 2.87Å; T114-I180 HydrophobicContact CG2-CG2 4.05Å; T114-I183 HydrophobicContact CG2-CD1 3.95Å; T114-I183 HydrophobicContact CG2-CG1 4.03Å; T114-I183 HydrophobicContact CG2-CG2 3.94Å
115	N	98.3	Very high	96.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.			trans	-102	-156.4	157.6	72.1	-12.2	0	0	0	108.7	E93 K95 K117 T118	E93-N115 PolarHBondContact O-ND2 2.86Å; K95-N115 WeakPolarHBondContact O-CA 3.36Å; K95-N115 VanDerWaalsContact O-CB 3.26Å; K95-N115 WeakPolarHBondContact O-CB 3.3Å; N115-K117 VanDerWaalsContact C-N 3.27Å; N115-K117 PolarHBondContact O-N 2.76Å; N115-K117 PolarHBondContact OD1-N 2.96Å; N115-K117 VanDerWaalsContact OD1-N 3.15Å; N115-T118 PolarHBondContact N-O 3.14Å; N115-T118 PolarHBondContact OD1-N 2.98Å; N115-T118 PolarHBondContact OD1-O 2.81Å
116	D	97	Very high	97.2	Very high	25 Å²	25	24.1 Å²	24.1	13%	0.134	13%	0.133	C	C	.	.	S	Bend	trans	-66.4	-20.9	-177.9	-78.7	-4.5	0	0	0	115.4	N97 H179 I180	N97-D116 PolarHBondContact ND2-N 3.17Å; N97-D116 PolarHBondContact ND2-OD1 2.86Å; D116-H179 HydrophobicContact CB-CB 4.44Å; D116-H179 IonicContact OD1-ND1 3.99Å; D116-H179 IonicContact OD2-CE1 2.77Å; D116-H179 PolarHBondContact OD2-CE1 2.65Å; D116-H179 IonicContact OD2-CG 3.49Å; D116-H179 IonicContact OD2-ND1 2.98Å; D116-H179 PolarHBondContact OD2-ND1 3.37Å; D116-I180 WeakPolarHBondContact O-CG1 3.36Å; D116-I180 PolarHBondContact O-N 2.92Å
117	K	96.2	Very high	97.2	Very high	27 Å²	27	24.9 Å²	24.9	12%	0.117	13%	0.13	C	C	.	.	S	Bend	trans	-132.5	-24.6	-170.2	-61.6	-62.8	174.5	-161	0	115.1	I92 N115 T177 Y178	I92-K117 HydrophobicContact CD1-CB 4.33Å; I92-K117 HydrophobicContact CD1-CG 3.91Å; I92-K117 HydrophobicContact CG1-CG 4.02Å; I92-K117 HydrophobicContact CG2-CB 4.09Å; I92-K117 HydrophobicContact CG2-CG 3.85Å; N115-K117 VanDerWaalsContact C-N 3.27Å; N115-K117 PolarHBondContact O-N 2.76Å; N115-K117 PolarHBondContact OD1-N 2.96Å; N115-K117 VanDerWaalsContact OD1-N 3.15Å; K117-T177 PolarHBondContact NZ-O 3Å; K117-Y178 PolarHBondContact NZ-O 3.21Å
118	T	97.1	Very high	97.1	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.031	12%	0.115	C	C	.	.			trans	-133.2	128.9	-168.1	-60.7	0	0	0	0	111.3	H80 T114 N115 K120 I171 A173	H80-T118 PolarHBondContact NE2-O 3.34Å; T114-T118 WeakPolarHBondContact CA-O 3.42Å; T114-T118 PolarHBondContact OG1-O 2.87Å; N115-T118 PolarHBondContact N-O 3.14Å; N115-T118 PolarHBondContact OD1-N 2.98Å; N115-T118 PolarHBondContact OD1-O 2.81Å; T118-K120 HydrophobicContact CG2-CG 4.27Å; T118-I171 HydrophobicContact CG2-CG2 3.48Å; T118-I171 VanDerWaalsContact CG2-CG2 3.48Å; T118-A173 HydrophobicContact CG2-CB 4.09Å
119	I	98.8	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.2	170.9	-48	88.9	0	0	0	108.8	L112 S113 F172 I180 I183 Y192 W203	L112-I119 HydrophobicContact CB-CG2 4.21Å; L112-I119 HydrophobicContact CD2-CG2 3.93Å; S113-I119 CarbonylContact O-C 3.58Å; S113-I119 WeakPolarHBondContact O-CA 3.5Å; I119-F172 HydrophobicContact CB-CB 4.2Å; I119-F172 HydrophobicContact CB-CD2 4.25Å; I119-F172 HydrophobicContact CD1-CB 4.37Å; I119-F172 HydrophobicContact CG2-CD2 4.38Å; I119-F172 PolarHBondContact N-O 3.07Å; I119-F172 PolarHBondContact O-N 3.41Å; I119-I180 HydrophobicContact CD1-CD1 3.71Å; I119-I180 HydrophobicContact CG1-CD1 4.27Å; I119-I183 HydrophobicContact CG1-CG2 3.98Å; I119-I183 HydrophobicContact CG2-CG2 4.41Å; I119-Y192 HydrophobicContact CG1-CE2 4.48Å; I119-Y192 HydrophobicContact CG2-CE2 4.23Å; I119-W203 HydrophobicContact CD1-CZ2 4.31Å
120	K	98.8	Very high	96.7	Very high	28 Å²	28	34.1 Å²	34.1	12%	0.122	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133	174.8	-62.8	-175.9	-174.3	177	0	110.5	S79 L112 S113 T118 W122 R170 I171	S79-K120 VanDerWaalsContact O-CD 3.25Å; S79-K120 WeakPolarHBondContact O-CD 3.39Å; S79-K120 WeakPolarHBondContact O-CE 3.25Å; S79-K120 PolarHBondContact O-NZ 2.86Å; L112-K120 WeakPolarHBondContact CA-O 3.41Å; S113-K120 PolarHBondContact N-O 2.86Å; S113-K120 PolarHBondContact O-N 2.91Å; T118-K120 HydrophobicContact CG2-CG 4.27Å; K120-W122 HydrophobicContact CD-CZ2 4.06Å; K120-R170 CarbonylContact C-O 3.52Å; K120-R170 WeakPolarHBondContact CA-O 3.33Å; K120-I171 HydrophobicContact CG-CG1 4.2Å; K120-I171 HydrophobicContact CG-CG2 4.3Å
121	L	98.7	Very high	96.3	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.068	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.5	168.9	177.4	64.1	0	0	0	108.9	L102 F110 L112 R169 R170 F172	L102-L121 HydrophobicContact CD1-CD1 4.06Å; L102-L121 HydrophobicContact CD2-CD1 3.96Å; F110-L121 HydrophobicContact CB-CD1 4.25Å; F110-L121 HydrophobicContact CD1-CD1 4.44Å; L112-L121 HydrophobicContact CD2-CB 3.93Å; L112-L121 HydrophobicContact CD2-CD1 3.97Å; L112-L121 HydrophobicContact CG-CD1 4.43Å; L121-R169 HydrophobicContact CD2-CB 4.3Å; L121-R169 HydrophobicContact CG-CB 4.26Å; L121-R169 WeakPolarHBondContact O-CB 3.25Å; L121-R169 PolarHBondContact O-N 3.42Å; L121-R170 HydrophobicContact CB-CB 3.98Å; L121-R170 HydrophobicContact CD2-CB 4.44Å; L121-R170 HydrophobicContact CD2-CG 4.2Å; L121-R170 PolarHBondContact N-O 3.41Å; L121-R170 PolarHBondContact O-N 3.47Å; L121-F172 HydrophobicContact CB-CE2 4.04Å
122	W	98.6	Very high	95.9	Very high	14 Å²	14	36.4 Å²	36.4	5%	0.053	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.4	178.3	-69	89.9	0	0	0	110.8	F77 Q78 S79 F110 L111 S113 K120 I124 A166 S167 P168	F77-W122 AromaticContact CD2-CD2 3.89Å; F77-W122 HydrophobicContact CD2-CD2 3.89Å; F77-W122 AromaticContact CD2-CE3 3.61Å; F77-W122 HydrophobicContact CD2-CE3 3.61Å; F77-W122 AromaticContact CD2-CH2 3.85Å; F77-W122 HydrophobicContact CD2-CH2 3.85Å; F77-W122 HydrophobicContact CD2-CZ2 4.14Å; F77-W122 AromaticContact CD2-CZ3 3.56Å; F77-W122 HydrophobicContact CD2-CZ3 3.56Å; F77-W122 HydrophobicContact CE2-CB 4.41Å; F77-W122 AromaticContact CE2-CD2 3.32Å; F77-W122 HydrophobicContact CE2-CD2 3.32Å; F77-W122 AromaticContact CE2-CE2 3.64Å; F77-W122 AromaticContact CE2-CE3 3.48Å; F77-W122 HydrophobicContact CE2-CE3 3.48Å; F77-W122 VanDerWaalsContact CE2-CE3 3.48Å; F77-W122 AromaticContact CE2-CG 3.71Å; F77-W122 HydrophobicContact CE2-CG 3.71Å; F77-W122 HydrophobicContact CE2-CH2 4.24Å; F77-W122 HydrophobicContact CE2-CZ2 4.15Å; F77-W122 AromaticContact CE2-CZ3 3.92Å; F77-W122 HydrophobicContact CE2-CZ3 3.92Å; F77-W122 HydrophobicContact CG-CE3 4.43Å; F77-W122 HydrophobicContact CG-CZ3 4.33Å; F77-W122 HydrophobicContact CZ-CB 4.29Å; F77-W122 HydrophobicContact CZ-CD2 4.05Å; F77-W122 HydrophobicContact CZ-CE3 4.2Å; F77-W122 HydrophobicContact CZ-CG 4.05Å; Q78-W122 WeakPolarHBondContact O-CH2 3.44Å; S79-W122 VanDerWaalsContact CA-CZ2 3.48Å; S79-W122 WeakPolarHBondContact O-CZ2 3.34Å; S79-W122 PolarHBondContact OG-NE1 2.72Å; F110-W122 VanDerWaalsContact CA-O 3.26Å; F110-W122 WeakPolarHBondContact CA-O 3.49Å; L111-W122 HydrophobicContact CD1-CB 3.94Å; L111-W122 HydrophobicContact CD1-CG 4.22Å; L111-W122 HydrophobicContact CG-CB 4.15Å; L111-W122 PolarHBondContact N-O 3.01Å; L111-W122 VanDerWaalsContact N-O 3.16Å; L111-W122 PolarHBondContact O-N 2.84Å; S113-W122 VanDerWaalsContact OG-CD1 3.29Å; S113-W122 PolarHBondContact OG-NE1 2.81Å; S113-W122 VanDerWaalsContact OG-NE1 3.08Å; K120-W122 HydrophobicContact CD-CZ2 4.06Å; W122-I124 HydrophobicContact CB-CD1 3.76Å; W122-A166 HydrophobicContact CE3-CB 4.49Å; W122-S167 VanDerWaalsContact CE3-C 3.47Å; W122-P168 HydrophobicContact CD2-CB 4.37Å; W122-P168 HydrophobicContact CE3-CB 4.15Å; W122-P168 HydrophobicContact CH2-CB 3.81Å; W122-P168 HydrophobicContact CH2-CG 4Å; W122-P168 HydrophobicContact CZ2-CB 3.99Å; W122-P168 HydrophobicContact CZ3-CB 3.9Å; W122-P168 VanDerWaalsContact CZ3-CD 3.43Å; W122-P168 HydrophobicContact CZ3-CG 4.02Å
123	K	98	Very high	95.4	Very high	42 Å²	42	37.4 Å²	37.4	18%	0.183	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.8	167.6	179.7	-173.4	-179.8	-168.7	0	109.7	A108 H109 F110 A166 S167 R169	A108-K123 HydrophobicContact CB-CD 4.17Å; A108-K123 HydrophobicContact CB-CG 3.89Å; H109-K123 WeakPolarHBondContact O-CA 3.22Å; F110-K123 HydrophobicContact CD1-CB 3.89Å; F110-K123 HydrophobicContact CD1-CG 4.17Å; F110-K123 HydrophobicContact CE1-CB 3.61Å; F110-K123 HydrophobicContact CE1-CD 3.93Å; F110-K123 HydrophobicContact CE1-CG 3.6Å; F110-K123 HydrophobicContact CE2-CG 4.47Å; F110-K123 HydrophobicContact CZ-CB 4.32Å; F110-K123 HydrophobicContact CZ-CD 3.9Å; F110-K123 HydrophobicContact CZ-CG 3.77Å; K123-A166 CarbonylContact O-C 3.49Å; K123-A166 WeakPolarHBondContact O-CA 3.48Å; K123-S167 PolarHBondContact N-O 2.71Å; K123-S167 PolarHBondContact O-N 3.21Å; K123-S167 PolarHBondContact O-OG 3.03Å; K123-R169 HydrophobicContact CB-CG 3.54Å; K123-R169 VanDerWaalsContact CD-NE 3.31Å
124	I	97.9	Very high	94.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	115.3	178.2	-62	52.8	0	0	0	106.4	I54 Y74 F77 A108 H109 L111 W122 V164 E165 A166	I54-I124 HydrophobicContact CD1-CD1 4.28Å; I54-I124 HydrophobicContact CD1-CG1 3.54Å; I54-I124 HydrophobicContact CD1-CG2 4.44Å; Y74-I124 HydrophobicContact CD1-CG2 4.44Å; Y74-I124 HydrophobicContact CE1-CG2 3.66Å; F77-I124 HydrophobicContact CE1-CD1 4.49Å; F77-I124 HydrophobicContact CE1-CG1 4.49Å; F77-I124 HydrophobicContact CZ-CD1 4.5Å; A108-I124 WeakPolarHBondContact CA-O 3.18Å; A108-I124 WeakPolarHBondContact CB-O 3.32Å; H109-I124 HydrophobicContact CB-CB 4.37Å; H109-I124 PolarHBondContact N-O 3.46Å; H109-I124 PolarHBondContact O-N 3.05Å; L111-I124 HydrophobicContact CD2-CD1 4.19Å; L111-I124 HydrophobicContact CG-CD1 4.23Å; W122-I124 HydrophobicContact CB-CD1 3.76Å; I124-V164 HydrophobicContact CG2-CG1 3.73Å; I124-E165 WeakPolarHBondContact CA-O 3.44Å; I124-A166 HydrophobicContact CG1-CB 4.42Å
125	S	95.7	Very high	94.4	Very high	24 Å²	24	45.2 Å²	45.2	17%	0.168	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.4	-178.6	46.1	0	0	0	0	112.1	E165	S125-E165 PolarHBondContact N-O 2.89Å; S125-E165 PolarHBondContact O-N 3.17Å
126	E	94.1	Very high	94	Very high	93 Å²	93	50.6 Å²	50.6	44%	0.435	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	140.8	169.8	-64.6	-175.1	177.7	0	0	110.9	Y74 L162 M163 V164	Y74-E126 HydrophobicContact CE2-CG 4.41Å; Y74-E126 WeakPolarHBondContact CE2-OE1 3.26Å; Y74-E126 WeakPolarHBondContact OH-CG 3.24Å; Y74-E126 PolarHBondContact OH-OE1 2.97Å; E126-L162 HydrophobicContact CB-CD1 3.82Å; E126-L162 HydrophobicContact CG-CD1 4.23Å; E126-M163 CarbonylContact C-O 3.59Å; E126-V164 HydrophobicContact CG-CG2 4.46Å
127	R	92.4	Very high	93.5	Very high	97 Å²	97	54.5 Å²	54.5	37%	0.366	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	118	173.1	-170	174	80	-152.5	2.8	109.7	K129 M163 E165	R127-K129 WeakPolarHBondContact CD-O 3.34Å; R127-K129 VanDerWaalsContact CG-O 3.28Å; R127-K129 WeakPolarHBondContact CG-O 3.41Å; R127-M163 PolarHBondContact N-O 3.34Å; R127-M163 PolarHBondContact O-N 2.87Å; R127-E165 IonicContact CZ-OE1 3.23Å; R127-E165 VanDerWaalsContact CZ-OE1 3.23Å; R127-E165 IonicContact CZ-OE2 3.91Å; R127-E165 IonicContact NH1-OE1 2.67Å; R127-E165 PolarHBondContact NH1-OE1 3.4Å; R127-E165 IonicContact NH1-OE2 3.08Å; R127-E165 PolarHBondContact NH1-OE2 3.1Å; R127-E165 VanDerWaalsContact NH1-OE2 3.08Å; R127-E165 IonicContact NH2-OE1 3.4Å; R127-E165 PolarHBondContact NH2-OE1 3.17Å
128	D	92.6	Very high	92.8	Very high	82 Å²	82	55.8 Å²	55.8	44%	0.439	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	4.8	179.8	70.3	-29	0	0	0	112.5	P159 M160 L162	D128-P159 CarbonylContact O-C 3.57Å; D128-M160 WeakPolarHBondContact O-CG 3.29Å; D128-M160 PolarHBondContact O-N 3.32Å; D128-M160 VanDerWaalsContact O-O 3.13Å; D128-L162 HydrophobicContact CB-CD1 4.28Å
129	K	92.3	Very high	91.8	Very high	102 Å²	102	63.4 Å²	63.4	44%	0.443	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	145	-177.5	-68	168.7	-165.9	173.7	0	111.7	R127 M158	R127-K129 WeakPolarHBondContact CD-O 3.34Å; R127-K129 VanDerWaalsContact CG-O 3.28Å; R127-K129 WeakPolarHBondContact CG-O 3.41Å; K129-M158 CarbonylContact C-O 3.55Å; K129-M158 VanDerWaalsContact CA-O 3.29Å; K129-M158 WeakPolarHBondContact CA-O 3.42Å
130	R	90.8	Very high	91	Very high	133 Å²	133	69.8 Å²	69.8	50%	0.502	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.1	172.2	63.8	-174.4	-168.5	-169.2	3.5	111.4	E132 L157 M158 M160	R130-E132 HydrophobicContact CG-CG 4.29Å; R130-E132 IonicContact CZ-OE1 3.12Å; R130-E132 IonicContact NE-OE1 2.73Å; R130-E132 PolarHBondContact NE-OE1 2.99Å; R130-E132 IonicContact NH2-OE1 2.71Å; R130-E132 PolarHBondContact NH2-OE1 3.2Å; R130-L157 WeakPolarHBondContact O-CA 3.45Å; R130-M158 PolarHBondContact N-O 3.18Å; R130-M158 PolarHBondContact O-N 2.96Å; R130-M160 HydrophobicContact CB-SD 3.72Å; R130-M160 HydrophobicContact CG-CB 4.24Å; R130-M160 HydrophobicContact CG-SD 4.22Å
131	A	91.1	Very high	90.1	Very high	37 Å²	37	70.5 Å²	70.5	31%	0.306	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.5	174.9	0	0	0	0	0	110.5	Y134 P155 V156 L157	A131-Y134 WeakPolarHBondContact O-CE2 3.41Å; A131-P155 HydrophobicContact CB-CB 4.25Å; A131-V156 WeakPolarHBondContact CA-O 3.3Å; A131-L157 HydrophobicContact CB-CD2 4.22Å
132	E	89.2	Confident	89.5	Confident	43 Å²	43	78.3 Å²	78.3	20%	0.201	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	160.3	176.1	-69.4	-174.3	176.3	0	0	111.2	R130 P155 V156 M158	R130-E132 HydrophobicContact CG-CG 4.29Å; R130-E132 IonicContact CZ-OE1 3.12Å; R130-E132 IonicContact NE-OE1 2.73Å; R130-E132 PolarHBondContact NE-OE1 2.99Å; R130-E132 IonicContact NH2-OE1 2.71Å; R130-E132 PolarHBondContact NH2-OE1 3.2Å; E132-P155 CarbonylContact O-C 3.59Å; E132-P155 WeakPolarHBondContact O-CA 3.36Å; E132-P155 WeakPolarHBondContact O-CB 3.34Å; E132-V156 PolarHBondContact N-O 3.07Å; E132-V156 PolarHBondContact O-N 2.82Å; E132-M158 HydrophobicContact CB-CG 4.06Å; E132-M158 HydrophobicContact CG-CB 4.36Å; E132-M158 HydrophobicContact CG-CG 4.23Å; E132-M158 WeakPolarHBondContact OE2-CG 3.33Å
133	G	87.6	Confident	88.9	Confident	20 Å²	20	84.4 Å²	84.4	21%	0.206	41%	0.411	C	S	.	.			trans	91.2	34.4	178.1	0	0	0	0	0	115.2	R153	G133-R153 VanDerWaalsContact O-CD 3.31Å; G133-R153 WeakPolarHBondContact O-CD 3.41Å; G133-R153 WeakPolarHBondContact O-CG 3.44Å; G133-R153 PolarHBondContact O-NE 2.79Å
134	Y	88.9	Confident	88.3	Confident	125 Å²	125	86.6 Å²	86.6	49%	0.49	42%	0.418	S	S	.	.			trans	-61.4	145.6	174.9	-67.7	-81.2	0	0	0	112.9	A131 K137 R153 P155	A131-Y134 WeakPolarHBondContact O-CE2 3.41Å; Y134-K137 VanDerWaalsContact O-O 3.08Å; Y134-R153 PolarHBondContact O-NE 2.99Å; Y134-R153 PolarHBondContact O-NH2 2.75Å; Y134-P155 HydrophobicContact CD1-CG 4.11Å; Y134-P155 HydrophobicContact CE1-CG 4.19Å
135	N	89.3	Confident	87.6	Confident	40 Å²	40	90 Å²	90	21%	0.214	44%	0.437	C	S	.	.	S	Bend	trans	-68.4	-37.6	-178.9	-71.3	-61.6	0	0	0	113.3	R144 R153	N135-R144 VanDerWaalsContact O-CD 3.23Å; N135-R144 WeakPolarHBondContact O-CD 3.37Å; N135-R153 PolarHBondContact ND2-O 3Å; N135-R153 WeakPolarHBondContact OD1-CG 3.39Å; N135-R153 PolarHBondContact OD1-N 3.21Å; N135-R153 PolarHBondContact OD1-O 3.35Å
136	L	89.1	Confident	87	Confident	112 Å²	112	93.6 Å²	93.6	59%	0.586	46%	0.459	S	S	*	.	S	Bend	trans	-100.9	-9.5	-170.1	-57	-179.1	0	0	0	113.6	L143 R144 I149	L136-L143 CarbonylContact O-C 3.58Å; L136-L143 WeakPolarHBondContact O-CA 3.35Å; L136-R144 PolarHBondContact O-N 3.18Å; L136-I149 HydrophobicContact CD2-CD1 3.62Å
137	K	86.1	Confident	86.5	Confident	107 Å²	107	98.4 Å²	98.4	47%	0.465	48%	0.479	S	S	.	.	B	Isolated β-bridge	trans	-124.9	138.1	-179.7	-64.7	-176.3	179.8	-176.2	0	110.4	Y134 R142 L143 R144	Y134-K137 VanDerWaalsContact O-O 3.08Å; K137-R142 CarbonylContact C-O 3.54Å; K137-R142 VanDerWaalsContact CA-O 3.23Å; K137-R142 WeakPolarHBondContact CA-O 3.43Å; K137-L143 HydrophobicContact CG-CD2 4.47Å; K137-R144 PolarHBondContact O-NE 3.37Å; K137-R144 VanDerWaalsContact O-NE 3.14Å
138	D	80.8	Confident	86	Confident	54 Å²	54	103.3 Å²	103.3	29%	0.289	50%	0.498	S	S	.	.			trans	-76.6	-179.8	165.4	62.5	18.7	0	0	0	111.3	D140 G141 R142 R144	D138-D140 PolarHBondContact O-N 2.88Å; D138-D140 PolarHBondContact OD1-N 3.23Å; D138-G141 PolarHBondContact O-N 2.83Å; D138-G141 PolarHBondContact OD1-N 3Å; D138-R142 PolarHBondContact N-O 3.43Å; D138-R142 WeakPolarHBondContact OD1-CA 3.28Å; D138-R142 WeakPolarHBondContact OD1-CB 3.36Å; D138-R142 PolarHBondContact OD1-N 3.43Å; D138-R144 HydrophobicContact CB-CG 4.37Å
139	E	77.1	Confident	85.6	Confident	165 Å²	165	102.1 Å²	102.1	77%	0.771	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-24.4	-176.8	-62.3	-163.9	166.5	0	0	112.5	G141	E139-G141 PolarHBondContact O-N 2.98Å
140	D	81	Confident	85.4	Confident	134 Å²	134	103.6 Å²	103.6	72%	0.717	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	4.1	174	-60.2	-41.4	0	0	0	112.6	D138 R142	D138-D140 PolarHBondContact O-N 2.88Å; D138-D140 PolarHBondContact OD1-N 3.23Å; D140-R142 VanDerWaalsContact C-N 3.27Å; D140-R142 HydrophobicContact CB-CG 4.42Å; D140-R142 PolarHBondContact O-N 3.47Å
141	G	81.6	Confident	85.2	Confident	43 Å²	43	101.5 Å²	101.5	44%	0.443	51%	0.514	S	S	.	.	S	Bend	trans	76.7	6.2	178.9	0	0	0	0	0	114.9	D138 E139	D138-G141 PolarHBondContact O-N 2.83Å; D138-G141 PolarHBondContact OD1-N 3Å; E139-G141 PolarHBondContact O-N 2.98Å
142	R	85.8	Confident	85.2	Confident	177 Å²	177	106.8 Å²	106.8	67%	0.668	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-77.7	145.7	178.4	-59.1	178.8	172.7	177.8	-0.3	110.4	K137 D138 D140 R144	K137-R142 CarbonylContact C-O 3.54Å; K137-R142 VanDerWaalsContact CA-O 3.23Å; K137-R142 WeakPolarHBondContact CA-O 3.43Å; D138-R142 PolarHBondContact N-O 3.43Å; D138-R142 WeakPolarHBondContact OD1-CA 3.28Å; D138-R142 WeakPolarHBondContact OD1-CB 3.36Å; D138-R142 PolarHBondContact OD1-N 3.43Å; D140-R142 VanDerWaalsContact C-N 3.27Å; D140-R142 HydrophobicContact CB-CG 4.42Å; D140-R142 PolarHBondContact O-N 3.47Å; R142-R144 PolarHBondContact O-N 3.13Å
143	L	86.5	Confident	85.2	Confident	142 Å²	142	109.3 Å²	109.3	74%	0.743	54%	0.544	S	S	*	.	B	Isolated β-bridge	trans	-64.4	128	176.4	-70.8	170.3	0	0	0	110	L136 K137	L136-L143 CarbonylContact O-C 3.58Å; L136-L143 WeakPolarHBondContact O-CA 3.35Å; K137-L143 HydrophobicContact CG-CD2 4.47Å
144	R	83.8	Confident	85.5	Confident	89 Å²	89	114.3 Å²	114.3	34%	0.336	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-73.1	143.1	173	-71.1	175	168.7	-143.9	-9.7	109.6	N135 L136 K137 D138 R142 P146 R153	N135-R144 VanDerWaalsContact O-CD 3.23Å; N135-R144 WeakPolarHBondContact O-CD 3.37Å; L136-R144 PolarHBondContact O-N 3.18Å; K137-R144 PolarHBondContact O-NE 3.37Å; K137-R144 VanDerWaalsContact O-NE 3.14Å; D138-R144 HydrophobicContact CB-CG 4.37Å; R142-R144 PolarHBondContact O-N 3.13Å; R144-P146 WeakPolarHBondContact O-CD 3.14Å; R144-R153 VanDerWaalsContact NH1-CZ 3.29Å; R144-R153 VanDerWaalsContact NH1-NH2 3.15Å
145	D	84.3	Confident	85.6	Confident	72 Å²	72	110.8 Å²	110.8	39%	0.385	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-58.5	119.1	171.5	178.7	-0.9	0	0	0	109.7	F147 R148	D145-F147 PolarHBondContact O-N 3.18Å; D145-F147 VanDerWaalsContact O-N 3.11Å; D145-F147 WeakPolarHBondContact OD1-CD2 3.44Å; D145-F147 PolarHBondContact OD1-N 3.47Å; D145-R148 HydrophobicContact CB-CB 4.33Å; D145-R148 HydrophobicContact CB-CG 3.98Å; D145-R148 PolarHBondContact O-N 3.41Å; D145-R148 IonicContact OD2-NE 3.71Å
146	P	82.3	Confident	85.8	Confident	98 Å²	98	113.4 Å²	113.4	64%	0.636	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-54.1	-31.8	-179.4	-26.7	35	0	0	0	113.5	R144 R148 I149	R144-P146 WeakPolarHBondContact O-CD 3.14Å; P146-R148 PolarHBondContact O-N 3.28Å; P146-I149 PolarHBondContact O-N 2.93Å
147	F	83.9	Confident	86	Confident	195 Å²	195	113.6 Å²	113.6	86%	0.855	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-75.4	-11.7	-179.6	-63.8	-75.6	0	0	0	113.6	D145	D145-F147 PolarHBondContact O-N 3.18Å; D145-F147 VanDerWaalsContact O-N 3.11Å; D145-F147 WeakPolarHBondContact OD1-CD2 3.44Å; D145-F147 PolarHBondContact OD1-N 3.47Å
148	R	81.6	Confident	86.3	Confident	200 Å²	200	112.5 Å²	112.5	76%	0.755	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-95.6	-1.9	176.3	-64.2	-173.7	-177.5	-159.5	-3.3	113.5	D145 P146 T150	D145-R148 HydrophobicContact CB-CB 4.33Å; D145-R148 HydrophobicContact CB-CG 3.98Å; D145-R148 PolarHBondContact O-N 3.41Å; D145-R148 IonicContact OD2-NE 3.71Å; P146-R148 PolarHBondContact O-N 3.28Å; R148-T150 PolarHBondContact O-N 3.43Å
149	I	84.7	Confident	86.9	Confident	56 Å²	56	115.1 Å²	115.1	29%	0.287	60%	0.598	S	S	.	*			trans	-85.6	93.8	179.5	-54.9	178.4	0	0	0	108.6	L136 P146	L136-I149 HydrophobicContact CD2-CD1 3.62Å; P146-I149 PolarHBondContact O-N 2.93Å
150	T	87.7	Confident	87.7	Confident	134 Å²	134	109.5 Å²	109.5	82%	0.822	57%	0.573	S	S	*	*			trans	-94.2	-14.4	-177.3	55.8	0	0	0	0	113.7	R148	R148-T150 PolarHBondContact O-N 3.43Å
151	S	87.9	Confident	88.1	Confident	88 Å²	88	110.1 Å²	110.1	62%	0.615	58%	0.576	S	S	*	*	S	Bend	trans	-154.9	155.5	178.7	56.3	0	0	0	0	110.9
152	L	90.7	Very high	88.5	Confident	149 Å²	149	113 Å²	113	78%	0.78	58%	0.581	S	S	*	*			trans	-93.9	136.3	173.9	-63.4	177.7	0	0	0	110
153	R	88.6	Confident	88.8	Confident	96 Å²	96	107.8 Å²	107.8	36%	0.362	57%	0.565	S	S	.	*			trans	-120.3	151.2	174.1	54.7	178.9	-175	178.6	15.8	110.8	G133 Y134 N135 R144	G133-R153 VanDerWaalsContact O-CD 3.31Å; G133-R153 WeakPolarHBondContact O-CD 3.41Å; G133-R153 WeakPolarHBondContact O-CG 3.44Å; G133-R153 PolarHBondContact O-NE 2.79Å; Y134-R153 PolarHBondContact O-NE 2.99Å; Y134-R153 PolarHBondContact O-NH2 2.75Å; N135-R153 PolarHBondContact ND2-O 3Å; N135-R153 WeakPolarHBondContact OD1-CG 3.39Å; N135-R153 PolarHBondContact OD1-N 3.21Å; N135-R153 PolarHBondContact OD1-O 3.35Å; R144-R153 VanDerWaalsContact NH1-CZ 3.29Å; R144-R153 VanDerWaalsContact NH1-NH2 3.15Å
154	V	92.9	Very high	89.2	Confident	125 Å²	125	102.8 Å²	102.8	76%	0.758	54%	0.54	S	S	*	.			trans	-94.5	132.8	171.5	-179.5	0	0	0	0	108
155	P	92.3	Very high	89.8	Confident	51 Å²	51	101.9 Å²	101.9	33%	0.331	54%	0.54	S	S	.	.			trans	-58.5	144	175.5	-24.9	34.6	0	0	0	112.3	A131 E132 Y134	A131-P155 HydrophobicContact CB-CB 4.25Å; E132-P155 CarbonylContact O-C 3.59Å; E132-P155 WeakPolarHBondContact O-CA 3.36Å; E132-P155 WeakPolarHBondContact O-CB 3.34Å; Y134-P155 HydrophobicContact CD1-CG 4.11Å; Y134-P155 HydrophobicContact CE1-CG 4.19Å
156	V	93.2	Very high	90.4	Very high	94 Å²	94	99.9 Å²	99.9	57%	0.57	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.3	178.3	-177.4	0	0	0	0	109	A131 E132 M158	A131-V156 WeakPolarHBondContact CA-O 3.3Å; E132-V156 PolarHBondContact N-O 3.07Å; E132-V156 PolarHBondContact O-N 2.82Å; V156-M158 PolarHBondContact O-N 2.91Å
157	L	93.9	Very high	91.1	Very high	117 Å²	117	97 Å²	97	61%	0.613	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.4	173.9	-68.4	176.6	0	0	0	109.9	R130 A131	R130-L157 WeakPolarHBondContact O-CA 3.45Å; A131-L157 HydrophobicContact CB-CD2 4.22Å
158	M	92.4	Very high	91.7	Very high	83 Å²	83	91.3 Å²	91.3	41%	0.409	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.2	177	-64.3	-67.2	-84.4	0	0	109.7	K129 R130 E132 V156	K129-M158 CarbonylContact C-O 3.55Å; K129-M158 VanDerWaalsContact CA-O 3.29Å; K129-M158 WeakPolarHBondContact CA-O 3.42Å; R130-M158 PolarHBondContact N-O 3.18Å; R130-M158 PolarHBondContact O-N 2.96Å; E132-M158 HydrophobicContact CB-CG 4.06Å; E132-M158 HydrophobicContact CG-CB 4.36Å; E132-M158 HydrophobicContact CG-CG 4.23Å; E132-M158 WeakPolarHBondContact OE2-CG 3.33Å; V156-M158 PolarHBondContact O-N 2.91Å
159	P	93.6	Very high	92.5	Very high	109 Å²	109	87.2 Å²	87.2	71%	0.708	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	143.7	172.9	-21.7	32.8	0	0	0	111.7	D128	D128-P159 CarbonylContact O-C 3.57Å
160	M	92.4	Very high	93.1	Very high	48 Å²	48	89.5 Å²	89.5	24%	0.236	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	168.3	172.4	64.2	174.5	-75.8	0	0	110.1	D128 R130 M163	D128-M160 WeakPolarHBondContact O-CG 3.29Å; D128-M160 PolarHBondContact O-N 3.32Å; D128-M160 VanDerWaalsContact O-O 3.13Å; R130-M160 HydrophobicContact CB-SD 3.72Å; R130-M160 HydrophobicContact CG-CB 4.24Å; R130-M160 HydrophobicContact CG-SD 4.22Å; M160-M163 HydrophobicContact CE-CB 4Å; M160-M163 HydrophobicContact CE-SD 4.24Å
161	D	90.8	Very high	93.6	Very high	147 Å²	147	87.2 Å²	87.2	79%	0.786	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	140.3	171.8	-63	-32.2	0	0	0	110.7	M163	D161-M163 PolarHBondContact O-N 2.94Å
162	L	90	Very high	94.1	Very high	104 Å²	104	83 Å²	83	55%	0.545	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	121.3	-178.7	-174.5	70.6	0	0	0	109.9	E126 D128	E126-L162 HydrophobicContact CB-CD1 3.82Å; E126-L162 HydrophobicContact CG-CD1 4.23Å; D128-L162 HydrophobicContact CB-CD1 4.28Å
163	M	92.1	Very high	94.3	Very high	67 Å²	67	77.5 Å²	77.5	33%	0.33	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.2	178.5	-164	179.2	79.5	0	0	109.9	E126 R127 M160 D161 E165	E126-M163 CarbonylContact C-O 3.59Å; R127-M163 PolarHBondContact N-O 3.34Å; R127-M163 PolarHBondContact O-N 2.87Å; M160-M163 HydrophobicContact CE-CB 4Å; M160-M163 HydrophobicContact CE-SD 4.24Å; D161-M163 PolarHBondContact O-N 2.94Å; M163-E165 VanDerWaalsContact CE-CD 3.47Å; M163-E165 HydrophobicContact CE-CG 3.48Å; M163-E165 VanDerWaalsContact CE-CG 3.48Å; M163-E165 WeakPolarHBondContact CE-OE1 3.35Å
164	V	95.1	Very high	94.5	Very high	37 Å²	37	80.8 Å²	80.8	22%	0.224	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.2	178.5	-174.7	0	0	0	0	108.9	Y74 I124 E126	Y74-V164 HydrophobicContact CD1-CG1 4.14Å; Y74-V164 HydrophobicContact CD2-CG2 3.87Å; Y74-V164 HydrophobicContact CE1-CG1 3.65Å; Y74-V164 HydrophobicContact CE1-CG2 4.4Å; Y74-V164 HydrophobicContact CE2-CB 4.44Å; Y74-V164 HydrophobicContact CE2-CG1 4.18Å; Y74-V164 HydrophobicContact CE2-CG2 3.39Å; I124-V164 HydrophobicContact CG2-CG1 3.73Å; E126-V164 HydrophobicContact CG-CG2 4.46Å
165	E	94.7	Very high	94.6	Very high	69 Å²	69	76 Å²	76	32%	0.322	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.5	178.3	-67	-175.9	147.8	0	0	110.4	I124 S125 R127 M163	I124-E165 WeakPolarHBondContact CA-O 3.44Å; S125-E165 PolarHBondContact N-O 2.89Å; S125-E165 PolarHBondContact O-N 3.17Å; R127-E165 IonicContact CZ-OE1 3.23Å; R127-E165 VanDerWaalsContact CZ-OE1 3.23Å; R127-E165 IonicContact CZ-OE2 3.91Å; R127-E165 IonicContact NH1-OE1 2.67Å; R127-E165 PolarHBondContact NH1-OE1 3.4Å; R127-E165 IonicContact NH1-OE2 3.08Å; R127-E165 PolarHBondContact NH1-OE2 3.1Å; R127-E165 VanDerWaalsContact NH1-OE2 3.08Å; R127-E165 IonicContact NH2-OE1 3.4Å; R127-E165 PolarHBondContact NH2-OE1 3.17Å; M163-E165 VanDerWaalsContact CE-CD 3.47Å; M163-E165 HydrophobicContact CE-CG 3.48Å; M163-E165 VanDerWaalsContact CE-CG 3.48Å; M163-E165 WeakPolarHBondContact CE-OE1 3.35Å
166	A	97.5	Very high	94.8	Very high	30 Å²	30	74.2 Å²	74.2	25%	0.248	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.5	167.4	0	0	0	0	0	109.5	F77 W122 K123 I124	F77-A166 HydrophobicContact CB-CB 4Å; F77-A166 HydrophobicContact CD1-CB 3.25Å; F77-A166 HydrophobicContact CD2-CB 4.35Å; F77-A166 HydrophobicContact CE1-CB 3.71Å; F77-A166 HydrophobicContact CG-CB 3.61Å; F77-A166 HydrophobicContact CZ-CB 4.42Å; W122-A166 HydrophobicContact CE3-CB 4.49Å; K123-A166 CarbonylContact O-C 3.49Å; K123-A166 WeakPolarHBondContact O-CA 3.48Å; I124-A166 HydrophobicContact CG1-CB 4.42Å
167	S	97	Very high	94.8	Very high	38 Å²	38	72.9 Å²	72.9	27%	0.266	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.5	-179.1	56.7	0	0	0	0	111.5	W122 K123 R169	W122-S167 VanDerWaalsContact CE3-C 3.47Å; K123-S167 PolarHBondContact N-O 2.71Å; K123-S167 PolarHBondContact O-N 3.21Å; K123-S167 PolarHBondContact O-OG 3.03Å; S167-R169 PolarHBondContact O-N 3.26Å
168	P	97.1	Very high	94.9	Very high	75 Å²	75	69.4 Å²	69.4	49%	0.487	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.3	173.4	29.4	-30.2	0	0	0	108.4	W122	W122-P168 HydrophobicContact CD2-CB 4.37Å; W122-P168 HydrophobicContact CE3-CB 4.15Å; W122-P168 HydrophobicContact CH2-CB 3.81Å; W122-P168 HydrophobicContact CH2-CG 4Å; W122-P168 HydrophobicContact CZ2-CB 3.99Å; W122-P168 HydrophobicContact CZ3-CB 3.9Å; W122-P168 VanDerWaalsContact CZ3-CD 3.43Å; W122-P168 HydrophobicContact CZ3-CG 4.02Å
169	R	97.1	Very high	95.1	Very high	114 Å²	114	69.4 Å²	69.4	43%	0.43	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-41.9	-179.9	-75.7	-73.1	177.1	147.2	-16.5	112.1	F110 L121 K123 S167	F110-R169 HydrophobicContact CE1-CG 4.5Å; L121-R169 HydrophobicContact CD2-CB 4.3Å; L121-R169 HydrophobicContact CG-CB 4.26Å; L121-R169 WeakPolarHBondContact O-CB 3.25Å; L121-R169 PolarHBondContact O-N 3.42Å; K123-R169 HydrophobicContact CB-CG 3.54Å; K123-R169 VanDerWaalsContact CD-NE 3.31Å; S167-R169 PolarHBondContact O-N 3.26Å
170	R	97.9	Very high	95.3	Very high	105 Å²	105	64.3 Å²	64.3	40%	0.396	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	150.6	-176.1	-61.6	-65.6	-176.9	-97.3	2.7	110.1	K120 L121 F172 T208	K120-R170 CarbonylContact C-O 3.52Å; K120-R170 WeakPolarHBondContact CA-O 3.33Å; L121-R170 HydrophobicContact CB-CB 3.98Å; L121-R170 HydrophobicContact CD2-CB 4.44Å; L121-R170 HydrophobicContact CD2-CG 4.2Å; L121-R170 PolarHBondContact N-O 3.41Å; L121-R170 PolarHBondContact O-N 3.47Å; R170-F172 HydrophobicContact CB-CE2 3.83Å; R170-F172 HydrophobicContact CB-CZ 3.88Å; R170-F172 HydrophobicContact CG-CZ 4.48Å; R170-T208 HydrophobicContact CB-CG2 3.74Å; R170-T208 HydrophobicContact CG-CG2 4.14Å
171	I	98.2	Very high	95.6	Very high	86 Å²	86	63 Å²	63	44%	0.441	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	119.5	176.9	-55.1	-179	0	0	0	106.5	T118 K120 A173 T208	T118-I171 HydrophobicContact CG2-CG2 3.48Å; T118-I171 VanDerWaalsContact CG2-CG2 3.48Å; K120-I171 HydrophobicContact CG-CG1 4.2Å; K120-I171 HydrophobicContact CG-CG2 4.3Å; I171-A173 HydrophobicContact CG2-CB 4.39Å; I171-T208 WeakPolarHBondContact O-CB 3.47Å; I171-T208 WeakPolarHBondContact O-CG2 3.45Å
172	F	98.3	Very high	95.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	103.3	178.4	-49.4	-94.8	0	0	0	107.4	L112 I119 L121 R170 Y192 W203 L205 I207 T208	L112-F172 HydrophobicContact CD2-CE2 4.14Å; I119-F172 HydrophobicContact CB-CB 4.2Å; I119-F172 HydrophobicContact CB-CD2 4.25Å; I119-F172 HydrophobicContact CD1-CB 4.37Å; I119-F172 HydrophobicContact CG2-CD2 4.38Å; I119-F172 PolarHBondContact N-O 3.07Å; I119-F172 PolarHBondContact O-N 3.41Å; L121-F172 HydrophobicContact CB-CE2 4.04Å; R170-F172 HydrophobicContact CB-CE2 3.83Å; R170-F172 HydrophobicContact CB-CZ 3.88Å; R170-F172 HydrophobicContact CG-CZ 4.48Å; F172-Y192 WeakPolarHBondContact CB-OH 3.2Å; F172-Y192 HydrophobicContact CD1-CE1 4.36Å; F172-Y192 WeakPolarHBondContact CD1-OH 3.49Å; F172-Y192 HydrophobicContact CD2-CE1 4.39Å; F172-Y192 WeakPolarHBondContact CD2-OH 3.27Å; F172-Y192 HydrophobicContact CE1-CE1 4.05Å; F172-Y192 HydrophobicContact CE2-CE1 4.08Å; F172-Y192 WeakPolarHBondContact CG-OH 3.23Å; F172-Y192 AromaticContact CZ-CE1 3.91Å; F172-Y192 HydrophobicContact CZ-CE1 3.91Å; F172-W203 HydrophobicContact CB-CD2 4.35Å; F172-W203 HydrophobicContact CB-CE3 3.96Å; F172-W203 HydrophobicContact CB-CH2 3.82Å; F172-W203 HydrophobicContact CB-CZ2 4.23Å; F172-W203 HydrophobicContact CB-CZ3 3.7Å; F172-W203 HydrophobicContact CD1-CD2 4.2Å; F172-W203 AromaticContact CD1-CE3 3.56Å; F172-W203 HydrophobicContact CD1-CE3 3.56Å; F172-W203 AromaticContact CD1-CZ3 3.95Å; F172-W203 HydrophobicContact CD1-CZ3 3.95Å; F172-W203 HydrophobicContact CE1-CE3 4.49Å; F172-W203 HydrophobicContact CG-CE3 4.17Å; F172-W203 HydrophobicContact CG-CZ3 4.32Å; F172-L205 WeakPolarHBondContact CZ-O 3.5Å; F172-I207 WeakPolarHBondContact CE1-O 3.29Å; F172-T208 HydrophobicContact CD1-CG2 3.86Å; F172-T208 HydrophobicContact CE1-CG2 3.79Å; F172-T208 HydrophobicContact CG-CG2 4.41Å; F172-T208 HydrophobicContact CZ-CG2 4.3Å
173	A	95.3	Very high	96.3	Very high	32 Å²	32	51.6 Å²	51.6	26%	0.264	27%	0.272	S	S	.	.			trans	-127.5	170.4	-171.7	0	0	0	0	0	111.1	T118 I171 A175	T118-A173 HydrophobicContact CG2-CB 4.09Å; I171-A173 HydrophobicContact CG2-CB 4.39Å; A173-A175 PolarHBondContact O-N 3.18Å; A173-A175 VanDerWaalsContact O-N 3.11Å
174	N	91.9	Very high	96.7	Very high	165 Å²	165	48.8 Å²	48.8	88%	0.882	26%	0.259	S	S	*	.	S	Bend	trans	61.2	18.1	169.8	-56.8	-44.2	0	0	0	116.6
175	A	95.6	Very high	96.8	Very high	24 Å²	24	47.8 Å²	47.8	20%	0.198	25%	0.253	C	S	.	.			trans	-100.9	-16.6	175.5	0	0	0	0	0	114	A173 N201 W203 S211	A173-A175 PolarHBondContact O-N 3.18Å; A173-A175 VanDerWaalsContact O-N 3.11Å; A175-N201 PolarHBondContact O-ND2 2.96Å; A175-N201 VanDerWaalsContact O-ND2 3.12Å; A175-W203 HydrophobicContact CB-CH2 3.29Å; A175-W203 HydrophobicContact CB-CZ2 3.26Å; A175-W203 HydrophobicContact CB-CZ3 4.46Å; A175-S211 WeakPolarHBondContact CB-OG 3.31Å
176	H	96.4	Very high	97	Very high	14 Å²	14	44.9 Å²	44.9	7%	0.065	24%	0.24	C	C	.	.			trans	-107.9	129.2	-177.6	-75.7	-75.6	0	0	0	111.2	I180 S194 D196 N201	H176-I180 HydrophobicContact CB-CD1 4.21Å; H176-I180 HydrophobicContact CB-CG1 3.86Å; H176-S194 PolarHBondContact CE1-O 2.99Å; H176-S194 PolarHBondContact NE2-OG 3.12Å; H176-D196 HydrophobicContact CB-CB 4.42Å; H176-D196 IonicContact CE1-OD2 3.93Å; H176-D196 IonicContact CG-OD2 3.28Å; H176-D196 WeakPolarHBondContact ND1-CB 3.26Å; H176-D196 VanDerWaalsContact ND1-CG 3.3Å; H176-D196 IonicContact ND1-OD2 2.77Å; H176-D196 PolarHBondContact ND1-OD2 3.24Å; H176-N201 PolarHBondContact CE1-ND2 2.86Å; H176-N201 PolarHBondContact NE2-ND2 2.64Å
177	T	93.6	Very high	96.9	Very high	66 Å²	66	45 Å²	45	41%	0.405	24%	0.238	S	C	.	.	S	Bend	trans	-85.8	-36.8	174.1	-57.2	0	0	0	0	110.3	K117	K117-T177 PolarHBondContact NZ-O 3Å
178	Y	95.2	Very high	96.9	Very high	44 Å²	44	45.7 Å²	45.7	17%	0.173	24%	0.239	C	C	.	.	S	Bend	trans	-104.1	-172.3	-176.6	-53.8	-79.5	0	0	0	111.2	K117 D197 L198 K218 M222	K117-Y178 PolarHBondContact NZ-O 3.21Å; Y178-D197 HydrophobicContact CG-CB 4.47Å; Y178-L198 HydrophobicContact CD2-CB 4.08Å; Y178-L198 HydrophobicContact CD2-CD1 4.14Å; Y178-L198 HydrophobicContact CD2-CG 4.29Å; Y178-L198 HydrophobicContact CE1-CD1 4.18Å; Y178-L198 HydrophobicContact CE2-CB 4.11Å; Y178-L198 HydrophobicContact CE2-CD1 3.61Å; Y178-L198 HydrophobicContact CE2-CG 4.22Å; Y178-K218 PolarHBondContact OH-NZ 3.25Å; Y178-M222 HydrophobicContact CE1-CE 4.41Å
179	H	96.7	Very high	96.8	Very high	84 Å²	84	46.8 Å²	46.8	39%	0.389	24%	0.238	S	C	.	.			trans	-81.5	125.2	-174.9	-60.9	-75.6	0	0	0	110.6	D116 N181 D196 D197	D116-H179 HydrophobicContact CB-CB 4.44Å; D116-H179 IonicContact OD1-ND1 3.99Å; D116-H179 IonicContact OD2-CE1 2.77Å; D116-H179 PolarHBondContact OD2-CE1 2.65Å; D116-H179 IonicContact OD2-CG 3.49Å; D116-H179 IonicContact OD2-ND1 2.98Å; D116-H179 PolarHBondContact OD2-ND1 3.37Å; H179-N181 PolarHBondContact O-N 2.62Å; H179-D196 WeakPolarHBondContact O-CA 3.25Å; H179-D196 WeakPolarHBondContact O-CB 3.4Å; H179-D197 IonicContact CD2-OD2 2.74Å; H179-D197 PolarHBondContact N-OD2 2.83Å
180	I	98.6	Very high	96.8	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.243	C	C	.	.			trans	-66.5	116.3	176.2	-62.6	165.8	0	0	0	109.2	N97 T114 D116 I119 H176 I183 A195	N97-I180 PolarHBondContact ND2-O 3.14Å; T114-I180 HydrophobicContact CG2-CG2 4.05Å; D116-I180 WeakPolarHBondContact O-CG1 3.36Å; D116-I180 PolarHBondContact O-N 2.92Å; I119-I180 HydrophobicContact CD1-CD1 3.71Å; I119-I180 HydrophobicContact CG1-CD1 4.27Å; H176-I180 HydrophobicContact CB-CD1 4.21Å; H176-I180 HydrophobicContact CB-CG1 3.86Å; I180-I183 HydrophobicContact CG2-CG2 4.43Å; I180-A195 CarbonylContact C-O 3.58Å; I180-A195 WeakPolarHBondContact CA-O 3.34Å
181	N	97.8	Very high	96.8	Very high	22 Å²	22	42.8 Å²	42.8	12%	0.118	23%	0.23	C	C	.	.			trans	-99.9	-23.5	177.3	59.6	57.7	0	0	0	112.8	H179 A195 D196 I229	H179-N181 PolarHBondContact O-N 2.62Å; N181-A195 PolarHBondContact N-O 2.95Å; N181-A195 PolarHBondContact OD1-O 2.7Å; N181-D196 PolarHBondContact ND2-O 3.34Å; N181-D196 VanDerWaalsContact ND2-O 3.15Å; N181-I229 PolarHBondContact ND2-O 3.24Å; N181-I229 VanDerWaalsContact ND2-O 3.12Å
182	S	98.6	Very high	96.8	Very high	8 Å²	8	38.7 Å²	38.7	6%	0.056	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.1	-174.2	-53.4	0	0	0	0	113.4	S194 A195 A231 A232	S182-S194 CarbonylContact O-C 3.55Å; S182-S194 VanDerWaalsContact O-CA 3.26Å; S182-S194 WeakPolarHBondContact O-CA 3.37Å; S182-A195 PolarHBondContact N-O 3.22Å; S182-A195 PolarHBondContact O-N 2.92Å; S182-A231 VanDerWaalsContact OG-CA 3.31Å; S182-A231 WeakPolarHBondContact OG-CA 3.35Å; S182-A232 WeakPolarHBondContact CB-O 3.34Å; S182-A232 PolarHBondContact OG-N 3.28Å
183	I	98.8	Very high	96.8	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140	162	49.4	167.5	0	0	0	108.5	K98 R100 L112 T114 I119 I180 L193	K98-I183 HydrophobicContact CB-CD1 4.15Å; K98-I183 HydrophobicContact CB-CG1 3.75Å; R100-I183 HydrophobicContact CB-CD1 4.22Å; R100-I183 HydrophobicContact CG-CD1 4.05Å; R100-I183 HydrophobicContact CG-CG1 3.86Å; R100-I183 WeakPolarHBondContact CG-O 3.5Å; R100-I183 PolarHBondContact NE-O 2.96Å; L112-I183 HydrophobicContact CB-CD1 3.85Å; T114-I183 HydrophobicContact CG2-CD1 3.95Å; T114-I183 HydrophobicContact CG2-CG1 4.03Å; T114-I183 HydrophobicContact CG2-CG2 3.94Å; I119-I183 HydrophobicContact CG1-CG2 3.98Å; I119-I183 HydrophobicContact CG2-CG2 4.41Å; I180-I183 HydrophobicContact CG2-CG2 4.43Å; I183-L193 WeakPolarHBondContact CA-O 3.37Å
184	S	98.6	Very high	97	Very high	8 Å²	8	37.2 Å²	37.2	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	123.8	179.4	-170.2	0	0	0	0	111.3	Y192 L193 E233 C234	S184-Y192 CarbonylContact O-C 3.55Å; S184-Y192 VanDerWaalsContact O-CA 3.3Å; S184-Y192 WeakPolarHBondContact O-CA 3.49Å; S184-Y192 WeakPolarHBondContact O-CB 3.28Å; S184-L193 PolarHBondContact N-O 3.01Å; S184-L193 PolarHBondContact O-N 2.91Å; S184-E233 WeakPolarHBondContact OG-CG 3.29Å; S184-C234 PolarHBondContact OG-N 2.99Å
185	V	98.1	Very high	97.3	Very high	17 Å²	17	29.3 Å²	29.3	10%	0.103	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	134.2	179.4	-179.6	0	0	0	0	109	R100 L102 L112	R100-V185 HydrophobicContact CB-CG2 4.29Å; L102-V185 HydrophobicContact CD1-CG2 4.05Å; L102-V185 HydrophobicContact CG-CG2 4.42Å; L112-V185 HydrophobicContact CD1-CG2 3.96Å
186	N	98.1	Very high	97.4	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.037	15%	0.145	C	C	.	.			trans	-79.2	154.7	178.3	-160.3	-7	0	0	0	111.1	D188 H189 T191 C239	N186-D188 WeakPolarHBondContact CB-OD1 3.22Å; N186-D188 PolarHBondContact ND2-OD2 2.92Å; N186-D188 PolarHBondContact O-N 2.92Å; N186-H189 PolarHBondContact O-N 2.93Å; N186-T191 VanDerWaalsContact CB-O 3.23Å; N186-T191 WeakPolarHBondContact CB-O 3.16Å; N186-T191 VanDerWaalsContact CB-OG1 3.27Å; N186-T191 WeakPolarHBondContact CB-OG1 3.37Å; N186-T191 PolarHBondContact N-O 2.93Å; N186-T191 PolarHBondContact ND2-OG1 2.79Å; N186-C239 PolarHBondContact ND2-O 3.07Å; N186-C239 WeakPolarHBondContact OD1-CA 3.48Å; N186-C239 PolarHBondContact OD1-O 2.83Å
187	S	97.2	Very high	97.5	Very high	32 Å²	32	29.2 Å²	29.2	22%	0.224	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-3.6	177.6	54.3	0	0	0	0	113.7	H189 P236 C239	S187-H189 VanDerWaalsContact C-N 3.3Å; S187-P236 WeakPolarHBondContact CB-O 3.32Å; S187-C239 VanDerWaalsContact OG-CA 3.28Å; S187-C239 WeakPolarHBondContact OG-CA 3.34Å; S187-C239 PolarHBondContact OG-N 2.91Å; S187-C239 VanDerWaalsContact OG-N 3.16Å
188	D	96.8	Very high	97.7	Very high	54 Å²	54	26.1 Å²	26.1	29%	0.289	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.2	174.1	67.1	10.2	0	0	0	113.9	N186 E190 T191 C239	N186-D188 WeakPolarHBondContact CB-OD1 3.22Å; N186-D188 PolarHBondContact ND2-OD2 2.92Å; N186-D188 PolarHBondContact O-N 2.92Å; D188-E190 PolarHBondContact O-N 2.62Å; D188-E190 PolarHBondContact OD1-N 2.7Å; D188-T191 VanDerWaalsContact CG-OG1 3.31Å; D188-T191 PolarHBondContact OD1-N 2.91Å; D188-T191 PolarHBondContact OD1-OG1 3.04Å; D188-T191 WeakPolarHBondContact OD2-CG2 3.32Å; D188-T191 PolarHBondContact OD2-OG1 3.49Å; D188-C239 HydrophobicContact CB-CB 4.07Å
189	H	93.6	Very high	97.8	Very high	97 Å²	97	27.2 Å²	27.2	45%	0.449	14%	0.135	S	C	.	.	S	Bend	trans	62.7	10.4	-176.6	-54.1	-73.8	0	0	0	116	N186 S187	N186-H189 PolarHBondContact O-N 2.93Å; S187-H189 VanDerWaalsContact C-N 3.3Å
190	E	96.8	Very high	97.9	Very high	117 Å²	117	23.2 Å²	23.2	55%	0.547	12%	0.117	S	C	.	.	S	Bend	trans	-120.6	-32.4	-178	-71	-175.3	174.8	0	0	111.8	D188 L205	D188-E190 PolarHBondContact O-N 2.62Å; D188-E190 PolarHBondContact OD1-N 2.7Å; E190-L205 WeakPolarHBondContact O-CG 3.4Å; E190-L205 PolarHBondContact O-N 2.94Å
191	T	98.4	Very high	97.9	Very high	19 Å²	19	23.3 Å²	23.3	12%	0.117	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	161.8	-174.6	70.1	0	0	0	0	113.3	N186 D188 W203	N186-T191 VanDerWaalsContact CB-O 3.23Å; N186-T191 WeakPolarHBondContact CB-O 3.16Å; N186-T191 VanDerWaalsContact CB-OG1 3.27Å; N186-T191 WeakPolarHBondContact CB-OG1 3.37Å; N186-T191 PolarHBondContact N-O 2.93Å; N186-T191 PolarHBondContact ND2-OG1 2.79Å; D188-T191 VanDerWaalsContact CG-OG1 3.31Å; D188-T191 PolarHBondContact OD1-N 2.91Å; D188-T191 PolarHBondContact OD1-OG1 3.04Å; D188-T191 WeakPolarHBondContact OD2-CG2 3.32Å; D188-T191 PolarHBondContact OD2-OG1 3.49Å; T191-W203 CarbonylContact C-O 3.53Å; T191-W203 WeakPolarHBondContact CA-O 3.42Å; T191-W203 WeakPolarHBondContact CB-O 3.45Å
192	Y	98.7	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.5	168.6	77.1	-84.9	0	0	0	109.2	L112 I119 F172 S184 W203 L205	L112-Y192 HydrophobicContact CD1-CD1 4.03Å; L112-Y192 HydrophobicContact CD1-CD2 3.8Å; L112-Y192 HydrophobicContact CD1-CE1 4.36Å; L112-Y192 HydrophobicContact CD1-CE2 4.19Å; L112-Y192 HydrophobicContact CD1-CG 3.73Å; L112-Y192 HydrophobicContact CD2-CE1 4.48Å; I119-Y192 HydrophobicContact CG1-CE2 4.48Å; I119-Y192 HydrophobicContact CG2-CE2 4.23Å; F172-Y192 WeakPolarHBondContact CB-OH 3.2Å; F172-Y192 HydrophobicContact CD1-CE1 4.36Å; F172-Y192 WeakPolarHBondContact CD1-OH 3.49Å; F172-Y192 HydrophobicContact CD2-CE1 4.39Å; F172-Y192 WeakPolarHBondContact CD2-OH 3.27Å; F172-Y192 HydrophobicContact CE1-CE1 4.05Å; F172-Y192 HydrophobicContact CE2-CE1 4.08Å; F172-Y192 WeakPolarHBondContact CG-OH 3.23Å; F172-Y192 AromaticContact CZ-CE1 3.91Å; F172-Y192 HydrophobicContact CZ-CE1 3.91Å; S184-Y192 CarbonylContact O-C 3.55Å; S184-Y192 VanDerWaalsContact O-CA 3.3Å; S184-Y192 WeakPolarHBondContact O-CA 3.49Å; S184-Y192 WeakPolarHBondContact O-CB 3.28Å; Y192-W203 HydrophobicContact CD1-CB 3.74Å; Y192-W203 HydrophobicContact CE1-CB 3.31Å; Y192-W203 AromaticContact CE1-CG 3.88Å; Y192-W203 HydrophobicContact CE1-CG 3.88Å; Y192-W203 HydrophobicContact CE2-CB 4.21Å; Y192-W203 AromaticContact CE2-CD1 3.65Å; Y192-W203 HydrophobicContact CE2-CG 4.01Å; Y192-W203 HydrophobicContact CG-CB 4.36Å; Y192-W203 AromaticContact CZ-CD1 3.68Å; Y192-W203 AromaticContact CZ-CG 3.55Å; Y192-W203 PolarHBondContact N-O 2.65Å; Y192-W203 PolarHBondContact O-N 3.21Å; Y192-L205 HydrophobicContact CD1-CD2 3.57Å; Y192-L205 HydrophobicContact CD1-CG 4.22Å; Y192-L205 HydrophobicContact CE1-CD2 4.08Å; Y192-L205 HydrophobicContact CG-CD2 4.47Å
193	L	98.4	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	153.1	172.3	67	76.7	0	0	0	111.6	I183 S184 I200 N201 A232 C234 F242	I183-L193 WeakPolarHBondContact CA-O 3.37Å; S184-L193 PolarHBondContact N-O 3.01Å; S184-L193 PolarHBondContact O-N 2.91Å; L193-I200 HydrophobicContact CB-CG2 4.07Å; L193-I200 HydrophobicContact CD1-CG2 4.32Å; L193-I200 HydrophobicContact CD2-CG2 4.36Å; L193-I200 HydrophobicContact CG-CG2 4.49Å; L193-N201 CarbonylContact C-O 3.58Å; L193-N201 VanDerWaalsContact CA-O 3.26Å; L193-N201 WeakPolarHBondContact CA-O 3.4Å; L193-A232 HydrophobicContact CD1-CB 4.02Å; L193-C234 WeakPolarHBondContact CD2-SG 3.47Å; L193-F242 HydrophobicContact CD2-CB 3.84Å; L193-F242 HydrophobicContact CD2-CD2 4.05Å; L193-F242 HydrophobicContact CD2-CG 4.02Å
194	S	98.8	Very high	97.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.5	164.1	59.7	0	0	0	0	110	H176 S182 I200 N201 W203	H176-S194 PolarHBondContact CE1-O 2.99Å; H176-S194 PolarHBondContact NE2-OG 3.12Å; S182-S194 CarbonylContact O-C 3.55Å; S182-S194 VanDerWaalsContact O-CA 3.26Å; S182-S194 WeakPolarHBondContact O-CA 3.37Å; S194-I200 WeakPolarHBondContact O-CA 3.2Å; S194-N201 PolarHBondContact N-O 3.24Å; S194-N201 PolarHBondContact O-N 3.33Å; S194-W203 PolarHBondContact OG-NE1 3.39Å
195	A	98.7	Very high	97.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.7	179.8	0	0	0	0	0	110.8	I180 N181 S182 R199 I200 I229 A232	I180-A195 CarbonylContact C-O 3.58Å; I180-A195 WeakPolarHBondContact CA-O 3.34Å; N181-A195 PolarHBondContact N-O 2.95Å; N181-A195 PolarHBondContact OD1-O 2.7Å; S182-A195 PolarHBondContact N-O 3.22Å; S182-A195 PolarHBondContact O-N 2.92Å; A195-R199 CarbonylContact C-O 3.5Å; A195-R199 WeakPolarHBondContact CA-O 3.47Å; A195-I200 HydrophobicContact CB-CD1 4.43Å; A195-I200 HydrophobicContact CB-CG1 3.83Å; A195-I200 HydrophobicContact CB-CG2 4.47Å; A195-I229 HydrophobicContact CB-CG2 4.31Å; A195-A232 HydrophobicContact CB-CB 3.7Å
196	D	98	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.			trans	-106.6	-169.6	163	69.4	33.6	0	0	0	110.6	H176 H179 N181 L198 R199 I229	H176-D196 HydrophobicContact CB-CB 4.42Å; H176-D196 IonicContact CE1-OD2 3.93Å; H176-D196 IonicContact CG-OD2 3.28Å; H176-D196 WeakPolarHBondContact ND1-CB 3.26Å; H176-D196 VanDerWaalsContact ND1-CG 3.3Å; H176-D196 IonicContact ND1-OD2 2.77Å; H176-D196 PolarHBondContact ND1-OD2 3.24Å; H179-D196 WeakPolarHBondContact O-CA 3.25Å; H179-D196 WeakPolarHBondContact O-CB 3.4Å; N181-D196 PolarHBondContact ND2-O 3.34Å; N181-D196 VanDerWaalsContact ND2-O 3.15Å; D196-L198 PolarHBondContact O-N 2.85Å; D196-L198 VanDerWaalsContact O-N 3.15Å; D196-L198 PolarHBondContact OD1-N 2.9Å; D196-R199 PolarHBondContact N-O 3.22Å; D196-R199 WeakPolarHBondContact OD1-CB 3.1Å; D196-R199 PolarHBondContact OD1-N 3.41Å; D196-I229 WeakPolarHBondContact O-CB 3.47Å
197	D	97.4	Very high	97.8	Very high	35 Å²	35	35.5 Å²	35.5	19%	0.187	17%	0.173	C	C	.	.	S	Bend	trans	-61.4	-20.1	-176.5	-56.1	-40.7	0	0	0	114.2	Y178 H179 V228 I229	Y178-D197 HydrophobicContact CG-CB 4.47Å; H179-D197 IonicContact CD2-OD2 2.74Å; H179-D197 PolarHBondContact N-OD2 2.83Å; D197-V228 HydrophobicContact CB-CB 4.33Å; D197-V228 HydrophobicContact CB-CG1 4.43Å; D197-V228 CarbonylContact O-C 3.57Å; D197-V228 VanDerWaalsContact O-CA 3.3Å; D197-V228 WeakPolarHBondContact O-CA 3.24Å; D197-V228 WeakPolarHBondContact O-CB 3.26Å; D197-I229 PolarHBondContact O-N 3.27Å
198	L	97.8	Very high	97.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.177	C	C	.	.	S	Bend	trans	-136.1	-12.3	-175.8	-64.1	178.3	0	0	0	114.7	Y178 D196 I217 K218 M222 L225 V228	Y178-L198 HydrophobicContact CD2-CB 4.08Å; Y178-L198 HydrophobicContact CD2-CD1 4.14Å; Y178-L198 HydrophobicContact CD2-CG 4.29Å; Y178-L198 HydrophobicContact CE1-CD1 4.18Å; Y178-L198 HydrophobicContact CE2-CB 4.11Å; Y178-L198 HydrophobicContact CE2-CD1 3.61Å; Y178-L198 HydrophobicContact CE2-CG 4.22Å; D196-L198 PolarHBondContact O-N 2.85Å; D196-L198 VanDerWaalsContact O-N 3.15Å; D196-L198 PolarHBondContact OD1-N 2.9Å; L198-I217 HydrophobicContact CB-CG1 4.34Å; L198-I217 HydrophobicContact CD2-CD1 4.15Å; L198-I217 HydrophobicContact CD2-CG1 3.92Å; L198-I217 WeakPolarHBondContact O-CG1 3.32Å; L198-I217 PolarHBondContact O-N 3.05Å; L198-K218 HydrophobicContact CB-CB 4.43Å; L198-K218 HydrophobicContact CD1-CB 4.23Å; L198-K218 HydrophobicContact CD1-CG 4.34Å; L198-M222 HydrophobicContact CD1-CE 4.3Å; L198-M222 HydrophobicContact CD1-SD 4.36Å; L198-L225 HydrophobicContact CD1-CD1 4.48Å; L198-L225 HydrophobicContact CD2-CD1 3.6Å; L198-V228 HydrophobicContact CD2-CG1 4.19Å
199	R	97.6	Very high	97.7	Very high	67 Å²	67	39.3 Å²	39.3	25%	0.253	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.7	-171.8	-72.7	178.4	174.3	-174.2	-9.2	112.7	A195 D196 V215 D216	A195-R199 CarbonylContact C-O 3.5Å; A195-R199 WeakPolarHBondContact CA-O 3.47Å; D196-R199 PolarHBondContact N-O 3.22Å; D196-R199 WeakPolarHBondContact OD1-CB 3.1Å; D196-R199 PolarHBondContact OD1-N 3.41Å; R199-V215 VanDerWaalsContact CA-O 3.26Å; R199-V215 WeakPolarHBondContact CA-O 3.45Å; R199-D216 HydrophobicContact CG-CB 4.25Å; R199-D216 WeakPolarHBondContact CG-OD1 3.37Å; R199-D216 IonicContact CZ-OD2 2.82Å; R199-D216 VanDerWaalsContact CZ-OD2 3.28Å; R199-D216 VanDerWaalsContact NE-CG 3.28Å; R199-D216 IonicContact NE-OD1 3.02Å; R199-D216 PolarHBondContact NE-OD1 3.42Å; R199-D216 VanDerWaalsContact NE-OD1 3.16Å; R199-D216 IonicContact NE-OD2 2.82Å; R199-D216 PolarHBondContact NE-OD2 2.87Å; R199-D216 IonicContact NH2-OD1 2.95Å; R199-D216 IonicContact NH2-OD2 3.35Å; R199-D216 PolarHBondContact NH2-OD2 3.1Å
200	I	98.5	Very high	97.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.1	169.1	-50.6	-179.6	0	0	0	108.6	L193 S194 A195 N213 I214 V215 I229 A232 F242 Y244	L193-I200 HydrophobicContact CB-CG2 4.07Å; L193-I200 HydrophobicContact CD1-CG2 4.32Å; L193-I200 HydrophobicContact CD2-CG2 4.36Å; L193-I200 HydrophobicContact CG-CG2 4.49Å; S194-I200 WeakPolarHBondContact O-CA 3.2Å; A195-I200 HydrophobicContact CB-CD1 4.43Å; A195-I200 HydrophobicContact CB-CG1 3.83Å; A195-I200 HydrophobicContact CB-CG2 4.47Å; I200-N213 PolarHBondContact O-ND2 2.9Å; I200-I214 HydrophobicContact CB-CG1 4.09Å; I200-I214 HydrophobicContact CG2-CD1 3.91Å; I200-I214 HydrophobicContact CG2-CG1 3.97Å; I200-I214 VanDerWaalsContact O-CG1 3.32Å; I200-I214 WeakPolarHBondContact O-CG1 3.5Å; I200-I214 PolarHBondContact O-N 2.74Å; I200-V215 HydrophobicContact CB-CB 3.94Å; I200-V215 HydrophobicContact CB-CG2 4.29Å; I200-V215 HydrophobicContact CD1-CB 4.16Å; I200-V215 HydrophobicContact CD1-CG1 4.48Å; I200-V215 HydrophobicContact CD1-CG2 4.12Å; I200-V215 HydrophobicContact CG1-CB 3.99Å; I200-V215 HydrophobicContact CG1-CG1 4.48Å; I200-V215 HydrophobicContact CG1-CG2 4.41Å; I200-V215 PolarHBondContact N-O 3.34Å; I200-V215 PolarHBondContact O-N 3.15Å; I200-I229 HydrophobicContact CD1-CD1 4.1Å; I200-I229 HydrophobicContact CG1-CD1 3.77Å; I200-A232 HydrophobicContact CD1-CB 4.06Å; I200-F242 HydrophobicContact CD1-CD2 4.46Å; I200-F242 HydrophobicContact CD1-CE2 3.87Å; I200-Y244 HydrophobicContact CD1-CD1 3.84Å; I200-Y244 HydrophobicContact CD1-CG 3.81Å
201	N	98.5	Very high	97.9	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.3	179.3	-64.3	-33.6	0	0	0	109.9	A175 H176 L193 S194 F212 N213	A175-N201 PolarHBondContact O-ND2 2.96Å; A175-N201 VanDerWaalsContact O-ND2 3.12Å; H176-N201 PolarHBondContact CE1-ND2 2.86Å; H176-N201 PolarHBondContact NE2-ND2 2.64Å; L193-N201 CarbonylContact C-O 3.58Å; L193-N201 VanDerWaalsContact CA-O 3.26Å; L193-N201 WeakPolarHBondContact CA-O 3.4Å; S194-N201 PolarHBondContact N-O 3.24Å; S194-N201 PolarHBondContact O-N 3.33Å; N201-F212 CarbonylContact C-O 3.56Å; N201-F212 WeakPolarHBondContact CA-O 3.39Å; N201-N213 WeakPolarHBondContact OD1-CA 3.39Å; N201-N213 WeakPolarHBondContact OD1-CB 3.45Å; N201-N213 PolarHBondContact OD1-ND2 2.84Å
202	L	98.4	Very high	97.8	Very high	36 Å²	36	43.3 Å²	43.3	19%	0.188	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134.2	171.1	-173.3	67.8	0	0	0	109.6	F212 I214 M256	L202-F212 PolarHBondContact N-O 3.42Å; L202-F212 PolarHBondContact O-N 3.3Å; L202-I214 HydrophobicContact CB-CD1 4.45Å; L202-I214 HydrophobicContact CB-CG2 3.98Å; L202-M256 HydrophobicContact CD1-CE 4.11Å; L202-M256 HydrophobicContact CD2-CE 4.48Å
203	W	98.6	Very high	97.8	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.027	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.5	-178.8	-60	86.3	0	0	0	110.6	I119 F172 A175 T191 Y192 S194	I119-W203 HydrophobicContact CD1-CZ2 4.31Å; F172-W203 HydrophobicContact CB-CD2 4.35Å; F172-W203 HydrophobicContact CB-CE3 3.96Å; F172-W203 HydrophobicContact CB-CH2 3.82Å; F172-W203 HydrophobicContact CB-CZ2 4.23Å; F172-W203 HydrophobicContact CB-CZ3 3.7Å; F172-W203 HydrophobicContact CD1-CD2 4.2Å; F172-W203 AromaticContact CD1-CE3 3.56Å; F172-W203 HydrophobicContact CD1-CE3 3.56Å; F172-W203 AromaticContact CD1-CZ3 3.95Å; F172-W203 HydrophobicContact CD1-CZ3 3.95Å; F172-W203 HydrophobicContact CE1-CE3 4.49Å; F172-W203 HydrophobicContact CG-CE3 4.17Å; F172-W203 HydrophobicContact CG-CZ3 4.32Å; A175-W203 HydrophobicContact CB-CH2 3.29Å; A175-W203 HydrophobicContact CB-CZ2 3.26Å; A175-W203 HydrophobicContact CB-CZ3 4.46Å; T191-W203 CarbonylContact C-O 3.53Å; T191-W203 WeakPolarHBondContact CA-O 3.42Å; T191-W203 WeakPolarHBondContact CB-O 3.45Å; Y192-W203 HydrophobicContact CD1-CB 3.74Å; Y192-W203 HydrophobicContact CE1-CB 3.31Å; Y192-W203 AromaticContact CE1-CG 3.88Å; Y192-W203 HydrophobicContact CE1-CG 3.88Å; Y192-W203 HydrophobicContact CE2-CB 4.21Å; Y192-W203 AromaticContact CE2-CD1 3.65Å; Y192-W203 HydrophobicContact CE2-CG 4.01Å; Y192-W203 HydrophobicContact CG-CB 4.36Å; Y192-W203 AromaticContact CZ-CD1 3.68Å; Y192-W203 AromaticContact CZ-CG 3.55Å; Y192-W203 PolarHBondContact N-O 2.65Å; Y192-W203 PolarHBondContact O-N 3.21Å; S194-W203 PolarHBondContact OG-NE1 3.39Å
204	H	98.4	Very high	97.7	Very high	55 Å²	55	45.7 Å²	45.7	26%	0.255	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	134.3	163.7	-171.2	-82.5	0	0	0	108.6	E206 I207	H204-E206 PolarHBondContact ND1-N 3.16Å; H204-E206 PolarHBondContact O-N 3.02Å; H204-I207 HydrophobicContact CB-CB 4.13Å; H204-I207 HydrophobicContact CB-CD1 4.08Å; H204-I207 HydrophobicContact CB-CG1 4.12Å; H204-I207 PolarHBondContact O-N 3.4Å; H204-I207 VanDerWaalsContact O-O 3.12Å
205	L	97.6	Very high	97.7	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.089	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23	-173.5	-73.2	168.2	0	0	0	114.1	L102 L112 F172 E190 Y192	L102-L205 HydrophobicContact CD2-CD1 3.71Å; L102-L205 HydrophobicContact CD2-CD2 3.97Å; L102-L205 HydrophobicContact CD2-CG 4.47Å; L112-L205 HydrophobicContact CD1-CD2 4.37Å; L112-L205 HydrophobicContact CD2-CD2 4.48Å; F172-L205 WeakPolarHBondContact CZ-O 3.5Å; E190-L205 WeakPolarHBondContact O-CG 3.4Å; E190-L205 PolarHBondContact O-N 2.94Å; Y192-L205 HydrophobicContact CD1-CD2 3.57Å; Y192-L205 HydrophobicContact CD1-CG 4.22Å; Y192-L205 HydrophobicContact CE1-CD2 4.08Å; Y192-L205 HydrophobicContact CG-CD2 4.47Å
206	E	97.4	Very high	97.6	Very high	144 Å²	144	49 Å²	49	67%	0.673	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-10.5	179.3	-55.8	-162.5	147.6	0	0	114.8	H204	H204-E206 PolarHBondContact ND1-N 3.16Å; H204-E206 PolarHBondContact O-N 3.02Å
207	I	97.8	Very high	97.4	Very high	61 Å²	61	51.2 Å²	51.2	31%	0.313	25%	0.249	S	C	.	.			trans	-115.1	115.4	-173.2	-56.3	178.2	0	0	0	109.3	F172 H204 D209 R210	F172-I207 WeakPolarHBondContact CE1-O 3.29Å; H204-I207 HydrophobicContact CB-CB 4.13Å; H204-I207 HydrophobicContact CB-CD1 4.08Å; H204-I207 HydrophobicContact CB-CG1 4.12Å; H204-I207 PolarHBondContact O-N 3.4Å; H204-I207 VanDerWaalsContact O-O 3.12Å; I207-D209 WeakPolarHBondContact CG2-OD1 3.46Å; I207-R210 HydrophobicContact CG2-CB 4.37Å
208	T	97.2	Very high	97.3	Very high	51 Å²	51	53.7 Å²	53.7	31%	0.313	26%	0.258	S	S	.	.			trans	-106.7	-18.8	-173.9	55.8	0	0	0	0	114.2	R170 I171 F172	R170-T208 HydrophobicContact CB-CG2 3.74Å; R170-T208 HydrophobicContact CG-CG2 4.14Å; I171-T208 WeakPolarHBondContact O-CB 3.47Å; I171-T208 WeakPolarHBondContact O-CG2 3.45Å; F172-T208 HydrophobicContact CD1-CG2 3.86Å; F172-T208 HydrophobicContact CE1-CG2 3.79Å; F172-T208 HydrophobicContact CG-CG2 4.41Å; F172-T208 HydrophobicContact CZ-CG2 4.3Å
209	D	95.4	Very high	97.2	Very high	115 Å²	115	54.9 Å²	54.9	62%	0.615	27%	0.266	S	S	*	.	S	Bend	trans	-83.7	-12.4	-175.3	60.6	-54.1	0	0	0	113.3	I207	I207-D209 WeakPolarHBondContact CG2-OD1 3.46Å
210	R	96.1	Very high	97	Very high	169 Å²	169	57.1 Å²	57.1	64%	0.638	30%	0.298	S	S	*	.			trans	-143.6	139.5	-175.4	-71.1	172.1	-75.8	159.6	7.6	110.8	I207	I207-R210 HydrophobicContact CG2-CB 4.37Å
211	S	97.4	Very high	96.8	Very high	46 Å²	46	60.1 Å²	60.1	32%	0.322	31%	0.314	S	S	.	.			trans	-130	158.5	165.8	65.6	0	0	0	0	109.2	A175	A175-S211 WeakPolarHBondContact CB-OG 3.31Å
212	F	97.8	Very high	96.5	Very high	101 Å²	101	63.6 Å²	63.6	44%	0.443	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.2	177.2	-179.5	-121.2	0	0	0	109.8	N201 L202 I214 A260 L261	N201-F212 CarbonylContact C-O 3.56Å; N201-F212 WeakPolarHBondContact CA-O 3.39Å; L202-F212 PolarHBondContact N-O 3.42Å; L202-F212 PolarHBondContact O-N 3.3Å; F212-I214 HydrophobicContact CD1-CG2 3.42Å; F212-I214 VanDerWaalsContact CD1-CG2 3.42Å; F212-I214 HydrophobicContact CE1-CG2 3.63Å; F212-I214 HydrophobicContact CG-CG2 4.45Å; F212-I214 PolarHBondContact O-N 2.88Å; F212-A260 VanDerWaalsContact CE1-O 3.28Å; F212-A260 WeakPolarHBondContact CE1-O 3.26Å; F212-L261 HydrophobicContact CE2-CD2 4.39Å; F212-L261 HydrophobicContact CZ-CD2 3.88Å
213	N	97.4	Very high	96.3	Very high	45 Å²	45	70.2 Å²	70.2	24%	0.241	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	117.9	175.2	-179.9	-100.9	0	0	0	109.8	I200 N201 V215	I200-N213 PolarHBondContact O-ND2 2.9Å; N201-N213 WeakPolarHBondContact OD1-CA 3.39Å; N201-N213 WeakPolarHBondContact OD1-CB 3.45Å; N201-N213 PolarHBondContact OD1-ND2 2.84Å; N213-V215 PolarHBondContact ND2-O 2.79Å; N213-V215 PolarHBondContact OD1-O 3.04Å
214	I	97.3	Very high	96	Very high	5 Å²	5	76 Å²	76	3%	0.026	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-23.2	-177.5	56.4	171.6	0	0	0	112.6	I200 L202 F212 F242 M256 C262	I200-I214 HydrophobicContact CB-CG1 4.09Å; I200-I214 HydrophobicContact CG2-CD1 3.91Å; I200-I214 HydrophobicContact CG2-CG1 3.97Å; I200-I214 VanDerWaalsContact O-CG1 3.32Å; I200-I214 WeakPolarHBondContact O-CG1 3.5Å; I200-I214 PolarHBondContact O-N 2.74Å; L202-I214 HydrophobicContact CB-CD1 4.45Å; L202-I214 HydrophobicContact CB-CG2 3.98Å; F212-I214 HydrophobicContact CD1-CG2 3.42Å; F212-I214 VanDerWaalsContact CD1-CG2 3.42Å; F212-I214 HydrophobicContact CE1-CG2 3.63Å; F212-I214 HydrophobicContact CG-CG2 4.45Å; F212-I214 PolarHBondContact O-N 2.88Å; I214-F242 HydrophobicContact CD1-CD1 4.48Å; I214-F242 HydrophobicContact CD1-CE1 3.8Å; I214-F242 HydrophobicContact CD1-CE2 4.28Å; I214-F242 HydrophobicContact CD1-CZ 3.68Å; I214-F242 HydrophobicContact CG1-CZ 4.37Å; I214-M256 HydrophobicContact CD1-CE 3.52Å; I214-C262 WeakPolarHBondContact O-CA 3.19Å; I214-C262 WeakPolarHBondContact O-CB 3.42Å; I214-C262 PolarHBondContact O-N 3Å
215	V	97.7	Very high	95.9	Very high	3 Å²	3	76.6 Å²	76.6	2%	0.018	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132.1	175.5	178.4	0	0	0	0	108.4	R199 I200 N213 I217 I229 F242 Y244 C262	R199-V215 VanDerWaalsContact CA-O 3.26Å; R199-V215 WeakPolarHBondContact CA-O 3.45Å; I200-V215 HydrophobicContact CB-CB 3.94Å; I200-V215 HydrophobicContact CB-CG2 4.29Å; I200-V215 HydrophobicContact CD1-CB 4.16Å; I200-V215 HydrophobicContact CD1-CG1 4.48Å; I200-V215 HydrophobicContact CD1-CG2 4.12Å; I200-V215 HydrophobicContact CG1-CB 3.99Å; I200-V215 HydrophobicContact CG1-CG1 4.48Å; I200-V215 HydrophobicContact CG1-CG2 4.41Å; I200-V215 PolarHBondContact N-O 3.34Å; I200-V215 PolarHBondContact O-N 3.15Å; N213-V215 PolarHBondContact ND2-O 2.79Å; N213-V215 PolarHBondContact OD1-O 3.04Å; V215-I217 HydrophobicContact CG1-CG2 3.97Å; V215-I229 HydrophobicContact CG1-CD1 4.32Å; V215-F242 HydrophobicContact CG2-CE2 4.02Å; V215-F242 HydrophobicContact CG2-CZ 3.77Å; V215-Y244 HydrophobicContact CG1-CE1 4.19Å; V215-Y244 HydrophobicContact CG2-CE1 4.28Å; V215-C262 HydrophobicContact CG2-CB 3.89Å
216	D	96.1	Very high	95.7	Very high	68 Å²	68	80.1 Å²	80.1	36%	0.364	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	105.6	170.1	-165.4	-0.1	0	0	0	108.5	R199 K218	R199-D216 HydrophobicContact CG-CB 4.25Å; R199-D216 WeakPolarHBondContact CG-OD1 3.37Å; R199-D216 IonicContact CZ-OD2 2.82Å; R199-D216 VanDerWaalsContact CZ-OD2 3.28Å; R199-D216 VanDerWaalsContact NE-CG 3.28Å; R199-D216 IonicContact NE-OD1 3.02Å; R199-D216 PolarHBondContact NE-OD1 3.42Å; R199-D216 VanDerWaalsContact NE-OD1 3.16Å; R199-D216 IonicContact NE-OD2 2.82Å; R199-D216 PolarHBondContact NE-OD2 2.87Å; R199-D216 IonicContact NH2-OD1 2.95Å; R199-D216 IonicContact NH2-OD2 3.35Å; R199-D216 PolarHBondContact NH2-OD2 3.1Å; D216-K218 WeakPolarHBondContact OD1-CB 3.44Å; D216-K218 PolarHBondContact OD1-N 3.17Å; D216-K218 VanDerWaalsContact OD1-N 3.17Å
217	I	95.4	Very high	95.6	Very high	46 Å²	46	74.8 Å²	74.8	24%	0.236	39%	0.391	C	S	.	.			trans	-97.7	10.8	175.9	65.6	161.3	0	0	0	112.1	L198 V215 P219 I229	L198-I217 HydrophobicContact CB-CG1 4.34Å; L198-I217 HydrophobicContact CD2-CD1 4.15Å; L198-I217 HydrophobicContact CD2-CG1 3.92Å; L198-I217 WeakPolarHBondContact O-CG1 3.32Å; L198-I217 PolarHBondContact O-N 3.05Å; V215-I217 HydrophobicContact CG1-CG2 3.97Å; I217-P219 WeakPolarHBondContact O-CD 3.41Å; I217-I229 HydrophobicContact CD1-CD1 4.32Å; I217-I229 HydrophobicContact CD1-CG1 3.62Å; I217-I229 HydrophobicContact CG1-CD1 4.23Å; I217-I229 HydrophobicContact CG1-CG1 4.06Å
218	K	95.5	Very high	95.6	Very high	86 Å²	86	73.8 Å²	73.8	37%	0.374	39%	0.388	S	S	.	.			trans	-59.9	122.7	178.9	176.4	171.9	175.3	146.5	0	110.5	Y178 L198 D216 M222	Y178-K218 PolarHBondContact OH-NZ 3.25Å; L198-K218 HydrophobicContact CB-CB 4.43Å; L198-K218 HydrophobicContact CD1-CB 4.23Å; L198-K218 HydrophobicContact CD1-CG 4.34Å; D216-K218 WeakPolarHBondContact OD1-CB 3.44Å; D216-K218 PolarHBondContact OD1-N 3.17Å; D216-K218 VanDerWaalsContact OD1-N 3.17Å; K218-M222 HydrophobicContact CG-SD 4.33Å
219	P	94.3	Very high	95.6	Very high	26 Å²	26	71.4 Å²	71.4	17%	0.169	37%	0.373	C	S	.	.			trans	-68.7	155.9	174.8	31.1	-36.6	0	0	0	110.7	I217 N221 E224 L225	I217-P219 WeakPolarHBondContact O-CD 3.41Å; P219-N221 VanDerWaalsContact C-N 3.27Å; P219-N221 WeakPolarHBondContact CB-O 3.33Å; P219-N221 VanDerWaalsContact CG-O 3.26Å; P219-N221 WeakPolarHBondContact CG-O 3.44Å; P219-N221 PolarHBondContact O-N 3.01Å; P219-E224 HydrophobicContact CB-CB 4.47Å; P219-L225 HydrophobicContact CG-CB 4.23Å; P219-L225 HydrophobicContact CG-CD1 4.33Å
220	A	93.6	Very high	95.8	Very high	114 Å²	114	66.5 Å²	66.5	94%	0.942	35%	0.347	S	S	*	.	S	Bend	trans	-61.5	-39.2	175.8	0	0	0	0	0	111.5
221	N	94.5	Very high	95.9	Very high	63 Å²	63	58.7 Å²	58.7	34%	0.337	32%	0.319	S	S	.	.	S	Bend	trans	-108.9	124	169.8	-174.7	1	0	0	0	109.9	P219 E223 E224	P219-N221 VanDerWaalsContact C-N 3.27Å; P219-N221 WeakPolarHBondContact CB-O 3.33Å; P219-N221 VanDerWaalsContact CG-O 3.26Å; P219-N221 WeakPolarHBondContact CG-O 3.44Å; P219-N221 PolarHBondContact O-N 3.01Å; N221-E223 PolarHBondContact ND2-OE2 3.38Å; N221-E223 PolarHBondContact O-N 3.34Å; N221-E223 PolarHBondContact OD1-N 2.94Å; N221-E223 VanDerWaalsContact OD1-N 3.07Å; N221-E224 HydrophobicContact CB-CG 4.18Å; N221-E224 WeakPolarHBondContact O-CB 3.01Å; N221-E224 PolarHBondContact O-N 2.91Å
222	M	93.1	Very high	95.9	Very high	78 Å²	78	56.9 Å²	56.9	38%	0.384	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-63.2	-21.6	177.7	-75	-63.2	-54.8	0	0	113.3	Y178 L198 K218 E224 L225	Y178-M222 HydrophobicContact CE1-CE 4.41Å; L198-M222 HydrophobicContact CD1-CE 4.3Å; L198-M222 HydrophobicContact CD1-SD 4.36Å; K218-M222 HydrophobicContact CG-SD 4.33Å; M222-E224 PolarHBondContact O-N 3.43Å; M222-L225 HydrophobicContact CE-CD2 4.06Å; M222-L225 WeakPolarHBondContact O-CB 3.36Å; M222-L225 PolarHBondContact O-N 2.9Å
223	E	93.5	Very high	96	Very high	175 Å²	175	53.4 Å²	53.4	82%	0.818	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-69.1	-21.5	174.3	-61.9	175.9	158.6	0	0	112.8	N221 L225	N221-E223 PolarHBondContact ND2-OE2 3.38Å; N221-E223 PolarHBondContact O-N 3.34Å; N221-E223 PolarHBondContact OD1-N 2.94Å; N221-E223 VanDerWaalsContact OD1-N 3.07Å; E223-L225 PolarHBondContact O-N 3.07Å
224	E	93.4	Very high	96	Very high	128 Å²	128	51.6 Å²	51.6	60%	0.598	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-89.1	12.4	176.4	-62	177.2	178.7	0	0	112.2	P219 N221 M222 T226	P219-E224 HydrophobicContact CB-CB 4.47Å; N221-E224 HydrophobicContact CB-CG 4.18Å; N221-E224 WeakPolarHBondContact O-CB 3.01Å; N221-E224 PolarHBondContact O-N 2.91Å; M222-E224 PolarHBondContact O-N 3.43Å; E224-T226 WeakPolarHBondContact O-CG2 3.37Å; E224-T226 PolarHBondContact O-N 3.14Å; E224-T226 VanDerWaalsContact O-N 3.1Å
225	L	94.6	Very high	96.1	Very high	67 Å²	67	51.7 Å²	51.7	35%	0.351	28%	0.283	S	S	.	.			trans	-66.2	112.2	178.2	179.9	63.6	0	0	0	110.2	L198 P219 M222 E223 E227 V228	L198-L225 HydrophobicContact CD1-CD1 4.48Å; L198-L225 HydrophobicContact CD2-CD1 3.6Å; P219-L225 HydrophobicContact CG-CB 4.23Å; P219-L225 HydrophobicContact CG-CD1 4.33Å; M222-L225 HydrophobicContact CE-CD2 4.06Å; M222-L225 WeakPolarHBondContact O-CB 3.36Å; M222-L225 PolarHBondContact O-N 2.9Å; E223-L225 PolarHBondContact O-N 3.07Å; L225-E227 VanDerWaalsContact CD1-O 3.25Å; L225-E227 WeakPolarHBondContact CD1-O 3.48Å; L225-V228 HydrophobicContact CD1-CG1 4.17Å; L225-V228 HydrophobicContact CD2-CG1 4.15Å; L225-V228 HydrophobicContact CG-CG1 4.44Å
226	T	93.7	Very high	96.1	Very high	91 Å²	91	54.1 Å²	54.1	56%	0.558	30%	0.298	S	S	*	.			trans	-118.5	-8.3	178	69.6	0	0	0	0	113.7	E224 K248	E224-T226 WeakPolarHBondContact O-CG2 3.37Å; E224-T226 PolarHBondContact O-N 3.14Å; E224-T226 VanDerWaalsContact O-N 3.1Å; T226-K248 WeakPolarHBondContact O-CE 3.41Å; T226-K248 PolarHBondContact O-NZ 2.79Å; T226-K248 PolarHBondContact OG1-NZ 2.77Å
227	E	95.2	Very high	96.1	Very high	33 Å²	33	56.7 Å²	56.7	15%	0.154	31%	0.308	C	S	.	.			trans	-150.3	135.6	-172.1	-172.6	174.1	-163.7	0	0	110.1	L225 S246 K248 T250 R252	L225-E227 VanDerWaalsContact CD1-O 3.25Å; L225-E227 WeakPolarHBondContact CD1-O 3.48Å; E227-S246 WeakPolarHBondContact OE1-CB 3.33Å; E227-S246 PolarHBondContact OE1-OG 3.48Å; E227-K248 HydrophobicContact CB-CD 4.19Å; E227-K248 HydrophobicContact CG-CD 4.33Å; E227-K248 HydrophobicContact CG-CG 4.43Å; E227-T250 PolarHBondContact OE1-OG1 3.48Å; E227-R252 VanDerWaalsContact CD-NH2 3.32Å; E227-R252 IonicContact OE1-CZ 3.72Å; E227-R252 VanDerWaalsContact OE1-CZ 3.32Å; E227-R252 IonicContact OE1-NH1 3.8Å; E227-R252 PolarHBondContact OE1-NH1 3.44Å; E227-R252 IonicContact OE1-NH2 3.32Å; E227-R252 PolarHBondContact OE1-NH2 2.89Å; E227-R252 IonicContact OE2-CZ 3.5Å; E227-R252 IonicContact OE2-NH1 2.82Å; E227-R252 IonicContact OE2-NH2 3.69Å; E227-R252 PolarHBondContact OE2-NH2 2.86Å
228	V	97.7	Very high	96.2	Very high	40 Å²	40	59 Å²	59	24%	0.242	32%	0.318	C	S	.	.			trans	-125.9	150.7	173.2	-63.5	0	0	0	0	110.4	D197 L198 L225 T230 S246 S247	D197-V228 HydrophobicContact CB-CB 4.33Å; D197-V228 HydrophobicContact CB-CG1 4.43Å; D197-V228 CarbonylContact O-C 3.57Å; D197-V228 VanDerWaalsContact O-CA 3.3Å; D197-V228 WeakPolarHBondContact O-CA 3.24Å; D197-V228 WeakPolarHBondContact O-CB 3.26Å; L198-V228 HydrophobicContact CD2-CG1 4.19Å; L225-V228 HydrophobicContact CD1-CG1 4.17Å; L225-V228 HydrophobicContact CD2-CG1 4.15Å; L225-V228 HydrophobicContact CG-CG1 4.44Å; V228-T230 HydrophobicContact CG2-CG2 4.45Å; V228-S246 CarbonylContact O-C 3.58Å; V228-S246 WeakPolarHBondContact O-CA 3.37Å; V228-S246 VanDerWaalsContact O-CB 3.3Å; V228-S246 WeakPolarHBondContact O-CB 3.35Å; V228-S247 PolarHBondContact N-OG 3.06Å; V228-S247 PolarHBondContact O-N 3.27Å
229	I	98.5	Very high	96.3	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.7	171.7	-56.8	179.3	0	0	0	108.3	N181 A195 D196 D197 I200 V215 I217 Y244 S245	N181-I229 PolarHBondContact ND2-O 3.24Å; N181-I229 VanDerWaalsContact ND2-O 3.12Å; A195-I229 HydrophobicContact CB-CG2 4.31Å; D196-I229 WeakPolarHBondContact O-CB 3.47Å; D197-I229 PolarHBondContact O-N 3.27Å; I200-I229 HydrophobicContact CD1-CD1 4.1Å; I200-I229 HydrophobicContact CG1-CD1 3.77Å; V215-I229 HydrophobicContact CG1-CD1 4.32Å; I217-I229 HydrophobicContact CD1-CD1 4.32Å; I217-I229 HydrophobicContact CD1-CG1 3.62Å; I217-I229 HydrophobicContact CG1-CD1 4.23Å; I217-I229 HydrophobicContact CG1-CG1 4.06Å; I229-Y244 HydrophobicContact CD1-CD2 4.2Å; I229-Y244 HydrophobicContact CD1-CE2 4.4Å; I229-Y244 HydrophobicContact CG1-CD2 3.95Å; I229-Y244 HydrophobicContact CG1-CE2 4.22Å; I229-Y244 HydrophobicContact CG2-CD2 4.24Å; I229-S245 WeakPolarHBondContact CA-O 3.34Å
230	T	98.4	Very high	96.5	Very high	12 Å²	12	56.7 Å²	56.7	7%	0.074	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-32.2	-176.3	54.1	0	0	0	0	113.8	V228 S245 I288	V228-T230 HydrophobicContact CG2-CG2 4.45Å; T230-S245 PolarHBondContact N-O 3.2Å; T230-S245 PolarHBondContact OG1-O 3.25Å; T230-S245 PolarHBondContact OG1-OG 2.84Å; T230-I288 WeakPolarHBondContact CB-O 3.39Å; T230-I288 PolarHBondContact OG1-O 2.81Å
231	A	98.5	Very high	96.7	Very high	5 Å²	5	51.8 Å²	51.8	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	151.5	174.9	0	0	0	0	0	110.3	S182 Y244 S245 V291	S182-A231 VanDerWaalsContact OG-CA 3.31Å; S182-A231 WeakPolarHBondContact OG-CA 3.35Å; A231-Y244 CarbonylContact O-C 3.57Å; A231-Y244 WeakPolarHBondContact O-CA 3.3Å; A231-Y244 WeakPolarHBondContact O-CB 3.3Å; A231-S245 PolarHBondContact N-OG 3.41Å; A231-S245 PolarHBondContact O-N 2.87Å; A231-V291 HydrophobicContact CB-CB 4.36Å; A231-V291 HydrophobicContact CB-CG2 4.19Å
232	A	98.6	Very high	96.9	Very high	7 Å²	7	48.8 Å²	48.8	6%	0.058	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	142	173.2	0	0	0	0	0	111.8	S182 L193 A195 I200 V243	S182-A232 WeakPolarHBondContact CB-O 3.34Å; S182-A232 PolarHBondContact OG-N 3.28Å; L193-A232 HydrophobicContact CD1-CB 4.02Å; A195-A232 HydrophobicContact CB-CB 3.7Å; I200-A232 HydrophobicContact CD1-CB 4.06Å; A232-V243 CarbonylContact C-O 3.59Å; A232-V243 VanDerWaalsContact CA-O 3.24Å; A232-V243 WeakPolarHBondContact CA-O 3.34Å
233	E	98.6	Very high	97.2	Very high	29 Å²	29	45 Å²	45	14%	0.136	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	139.3	-179.6	-159	176.2	-134	0	0	112.2	S184 F242 V243 K292 F293	S184-E233 WeakPolarHBondContact OG-CG 3.29Å; E233-F242 CarbonylContact O-C 3.54Å; E233-F242 VanDerWaalsContact O-CA 3.3Å; E233-F242 WeakPolarHBondContact O-CA 3.16Å; E233-F242 WeakPolarHBondContact O-CB 3.11Å; E233-V243 HydrophobicContact CB-CG2 4.49Å; E233-V243 PolarHBondContact N-O 3.4Å; E233-V243 PolarHBondContact O-N 2.85Å; E233-K292 WeakPolarHBondContact OE1-CD 3.07Å; E233-K292 IonicContact OE1-NZ 3.96Å; E233-K292 PolarHBondContact OE1-NZ 3.38Å; E233-K292 WeakPolarHBondContact OE2-CA 3.45Å; E233-F293 HydrophobicContact CB-CD2 4.36Å; E233-F293 HydrophobicContact CG-CD2 4.39Å; E233-F293 WeakPolarHBondContact O-CE2 3.41Å; E233-F293 PolarHBondContact OE2-N 3.34Å
234	C	98.6	Very high	97.4	Very high	7 Å²	7	37 Å²	37	5%	0.047	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	146.3	169.9	-67.7	0	0	0	0	110.9	S184 L193 F293	S184-C234 PolarHBondContact OG-N 2.99Å; L193-C234 WeakPolarHBondContact CD2-SG 3.47Å; C234-F293 WeakPolarHBondContact O-CD2 3.43Å
235	H	98.6	Very high	97.7	Very high	7 Å²	7	31 Å²	31	3%	0.032	17%	0.169	C	C	.	.			trans	-67.1	135.6	172.8	-174.9	-80.2	0	0	0	110.5	H237 Q238 V241 F293 G297	H235-H237 PolarHBondContact ND1-N 2.99Å; H235-H237 VanDerWaalsContact ND1-N 3.12Å; H235-H237 PolarHBondContact O-N 2.95Å; H235-H237 VanDerWaalsContact O-N 3.12Å; H235-Q238 HydrophobicContact CB-CB 4.15Å; H235-Q238 WeakPolarHBondContact ND1-CB 3.4Å; H235-Q238 PolarHBondContact ND1-N 3.04Å; H235-V241 HydrophobicContact CB-CB 3.84Å; H235-V241 HydrophobicContact CB-CG1 4.02Å; H235-V241 VanDerWaalsContact CB-O 3.24Å; H235-V241 WeakPolarHBondContact CB-O 3.34Å; H235-V241 PolarHBondContact N-O 2.97Å; H235-F293 HydrophobicContact CB-CE2 4.07Å; H235-F293 HydrophobicContact CB-CZ 4.1Å; H235-F293 AromaticContact CD2-CD1 4Å; H235-F293 AromaticContact CD2-CE1 3.73Å; H235-G297 WeakPolarHBondContact NE2-CA 3.35Å; H235-G297 PolarHBondContact NE2-O 2.97Å
236	P	97.1	Very high	97.8	Very high	53 Å²	53	27.8 Å²	27.8	34%	0.344	15%	0.152	S	C	.	.	S	Bend	trans	-63.7	-25.3	-171.4	22.5	-34.3	0	0	0	114.4	S187 F293	S187-P236 WeakPolarHBondContact CB-O 3.32Å; P236-F293 HydrophobicContact CG-CB 4.23Å
237	H	97.4	Very high	97.9	Very high	123 Å²	123	24.8 Å²	24.8	57%	0.569	14%	0.135	S	C	*	.	S	Bend	trans	-122.9	-11	-175.9	-53.8	-63.6	0	0	0	115.3	H235 H295	H235-H237 PolarHBondContact ND1-N 2.99Å; H235-H237 VanDerWaalsContact ND1-N 3.12Å; H235-H237 PolarHBondContact O-N 2.95Å; H235-H237 VanDerWaalsContact O-N 3.12Å; H237-H295 PolarHBondContact NE2-O 3.22Å
238	Q	97.9	Very high	97.9	Very high	95 Å²	95	26.7 Å²	26.7	44%	0.444	14%	0.143	S	C	.	.			trans	-121.2	101	-170.4	-68.4	-176.2	2.4	0	0	108	H235 N240 V241	H235-Q238 HydrophobicContact CB-CB 4.15Å; H235-Q238 WeakPolarHBondContact ND1-CB 3.4Å; H235-Q238 PolarHBondContact ND1-N 3.04Å; Q238-N240 PolarHBondContact O-N 2.97Å; Q238-V241 HydrophobicContact CB-CB 4.13Å; Q238-V241 HydrophobicContact CB-CG2 4.11Å; Q238-V241 PolarHBondContact O-N 3.25Å; Q238-V241 VanDerWaalsContact OE1-CG2 3.3Å
239	C	97.6	Very high	97.9	Very high	51 Å²	51	25.7 Å²	25.7	35%	0.345	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.7	-170.2	61	0	0	0	0	115.2	N186 S187 D188	N186-C239 PolarHBondContact ND2-O 3.07Å; N186-C239 WeakPolarHBondContact OD1-CA 3.48Å; N186-C239 PolarHBondContact OD1-O 2.83Å; S187-C239 VanDerWaalsContact OG-CA 3.28Å; S187-C239 WeakPolarHBondContact OG-CA 3.34Å; S187-C239 PolarHBondContact OG-N 2.91Å; S187-C239 VanDerWaalsContact OG-N 3.16Å; D188-C239 HydrophobicContact CB-CB 4.07Å
240	N	97.6	Very high	97.8	Very high	12 Å²	12	26 Å²	26	6%	0.064	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-8.1	-179.9	60.2	-68.1	0	0	0	113.8	Q238 D255 M256 R257	Q238-N240 PolarHBondContact O-N 2.97Å; N240-D255 VanDerWaalsContact ND2-CG 3.34Å; N240-D255 PolarHBondContact ND2-OD1 3.4Å; N240-D255 WeakPolarHBondContact O-CA 3.21Å; N240-M256 HydrophobicContact CB-CB 4.32Å; N240-M256 WeakPolarHBondContact O-CB 3.37Å; N240-M256 WeakPolarHBondContact O-CG 3.23Å; N240-M256 PolarHBondContact O-N 2.93Å; N240-R257 HydrophobicContact CB-CG 3.7Å; N240-R257 VanDerWaalsContact CG-CZ 3.41Å; N240-R257 PolarHBondContact OD1-NH1 3Å; N240-R257 PolarHBondContact OD1-NH2 3.01Å
241	V	98.3	Very high	97.8	Very high	10 Å²	10	25.4 Å²	25.4	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.4	-173.6	178.6	0	0	0	0	110.4	H235 Q238 L253 C254	H235-V241 HydrophobicContact CB-CB 3.84Å; H235-V241 HydrophobicContact CB-CG1 4.02Å; H235-V241 VanDerWaalsContact CB-O 3.24Å; H235-V241 WeakPolarHBondContact CB-O 3.34Å; H235-V241 PolarHBondContact N-O 2.97Å; Q238-V241 HydrophobicContact CB-CB 4.13Å; Q238-V241 HydrophobicContact CB-CG2 4.11Å; Q238-V241 PolarHBondContact O-N 3.25Å; Q238-V241 VanDerWaalsContact OE1-CG2 3.3Å; V241-L253 HydrophobicContact CG1-CD1 4.08Å; V241-L253 HydrophobicContact CG1-CD2 3.79Å; V241-L253 HydrophobicContact CG1-CG 3.83Å; V241-C254 WeakPolarHBondContact CA-O 3.21Å
242	F	98.6	Very high	97.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	162.2	169.6	70.7	-81.8	0	0	0	109.8	L193 I200 I214 V215 E233 Y244 C254 M256 C262	L193-F242 HydrophobicContact CD2-CB 3.84Å; L193-F242 HydrophobicContact CD2-CD2 4.05Å; L193-F242 HydrophobicContact CD2-CG 4.02Å; I200-F242 HydrophobicContact CD1-CD2 4.46Å; I200-F242 HydrophobicContact CD1-CE2 3.87Å; I214-F242 HydrophobicContact CD1-CD1 4.48Å; I214-F242 HydrophobicContact CD1-CE1 3.8Å; I214-F242 HydrophobicContact CD1-CE2 4.28Å; I214-F242 HydrophobicContact CD1-CZ 3.68Å; I214-F242 HydrophobicContact CG1-CZ 4.37Å; V215-F242 HydrophobicContact CG2-CE2 4.02Å; V215-F242 HydrophobicContact CG2-CZ 3.77Å; E233-F242 CarbonylContact O-C 3.54Å; E233-F242 VanDerWaalsContact O-CA 3.3Å; E233-F242 WeakPolarHBondContact O-CA 3.16Å; E233-F242 WeakPolarHBondContact O-CB 3.11Å; F242-Y244 HydrophobicContact CE2-CD1 4.12Å; F242-C254 HydrophobicContact CD1-CB 3.88Å; F242-C254 HydrophobicContact CD2-CB 4.39Å; F242-C254 HydrophobicContact CE1-CB 3.33Å; F242-C254 HydrophobicContact CE2-CB 3.88Å; F242-C254 HydrophobicContact CG-CB 4.4Å; F242-C254 HydrophobicContact CZ-CB 3.33Å; F242-C254 PolarHBondContact N-O 2.9Å; F242-C254 PolarHBondContact O-N 2.76Å; F242-M256 HydrophobicContact CD1-CE 3.59Å; F242-M256 HydrophobicContact CD1-CG 4.06Å; F242-M256 HydrophobicContact CD1-SD 4.44Å; F242-M256 HydrophobicContact CE1-CE 3.76Å; F242-M256 HydrophobicContact CE1-CG 3.89Å; F242-M256 HydrophobicContact CG-CE 4.46Å; F242-C262 HydrophobicContact CE1-CB 4.17Å; F242-C262 HydrophobicContact CZ-CB 3.87Å
243	V	98.6	Very high	97.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	153.7	173.7	-69.2	0	0	0	0	110.4	A232 E233 I251 R252 L253 V291 F293 M300	A232-V243 CarbonylContact C-O 3.59Å; A232-V243 VanDerWaalsContact CA-O 3.24Å; A232-V243 WeakPolarHBondContact CA-O 3.34Å; E233-V243 HydrophobicContact CB-CG2 4.49Å; E233-V243 PolarHBondContact N-O 3.4Å; E233-V243 PolarHBondContact O-N 2.85Å; V243-I251 HydrophobicContact CB-CG2 4.02Å; V243-I251 HydrophobicContact CG1-CG2 4.28Å; V243-R252 CarbonylContact C-O 3.53Å; V243-R252 VanDerWaalsContact CA-O 3.24Å; V243-R252 WeakPolarHBondContact CA-O 3.27Å; V243-L253 HydrophobicContact CG1-CB 3.76Å; V243-L253 HydrophobicContact CG1-CD1 4.14Å; V243-L253 HydrophobicContact CG1-CG 3.93Å; V243-V291 HydrophobicContact CG2-CG1 3.62Å; V243-F293 HydrophobicContact CB-CE2 4.38Å; V243-F293 HydrophobicContact CB-CZ 4.17Å; V243-F293 HydrophobicContact CG1-CE1 4.2Å; V243-F293 HydrophobicContact CG1-CE2 4.2Å; V243-F293 HydrophobicContact CG1-CZ 3.52Å; V243-F293 HydrophobicContact CG2-CD2 4.29Å; V243-F293 HydrophobicContact CG2-CE2 3.55Å; V243-F293 HydrophobicContact CG2-CZ 3.73Å; V243-M300 HydrophobicContact CG1-SD 4.09Å
244	Y	98.6	Very high	97.7	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.027	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	143.5	161.1	69.1	-85.2	0	0	0	110.8	I200 V215 I229 A231 F242 R252	I200-Y244 HydrophobicContact CD1-CD1 3.84Å; I200-Y244 HydrophobicContact CD1-CG 3.81Å; V215-Y244 HydrophobicContact CG1-CE1 4.19Å; V215-Y244 HydrophobicContact CG2-CE1 4.28Å; I229-Y244 HydrophobicContact CD1-CD2 4.2Å; I229-Y244 HydrophobicContact CD1-CE2 4.4Å; I229-Y244 HydrophobicContact CG1-CD2 3.95Å; I229-Y244 HydrophobicContact CG1-CE2 4.22Å; I229-Y244 HydrophobicContact CG2-CD2 4.24Å; A231-Y244 CarbonylContact O-C 3.57Å; A231-Y244 WeakPolarHBondContact O-CA 3.3Å; A231-Y244 WeakPolarHBondContact O-CB 3.3Å; F242-Y244 HydrophobicContact CE2-CD1 4.12Å; Y244-R252 HydrophobicContact CD1-CB 4.05Å; Y244-R252 HydrophobicContact CE1-CB 3.6Å; Y244-R252 HydrophobicContact CE2-CB 4.2Å; Y244-R252 VanDerWaalsContact CZ-CD 3.4Å; Y244-R252 PolarHBondContact N-O 3.02Å; Y244-R252 PolarHBondContact O-N 3.12Å; Y244-R252 WeakPolarHBondContact OH-CD 3.36Å
245	S	98.4	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	167	172.5	57.8	0	0	0	0	111.9	I229 T230 A231 T250 I288 V291	I229-S245 WeakPolarHBondContact CA-O 3.34Å; T230-S245 PolarHBondContact N-O 3.2Å; T230-S245 PolarHBondContact OG1-O 3.25Å; T230-S245 PolarHBondContact OG1-OG 2.84Å; A231-S245 PolarHBondContact N-OG 3.41Å; A231-S245 PolarHBondContact O-N 2.87Å; S245-T250 VanDerWaalsContact CA-O 3.29Å; S245-T250 WeakPolarHBondContact CA-O 3.45Å; S245-I288 WeakPolarHBondContact OG-CG2 3.5Å; S245-V291 VanDerWaalsContact OG-CG2 3.26Å; S245-V291 WeakPolarHBondContact OG-CG2 3.36Å
246	S	97.4	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	169.6	176.1	75.5	0	0	0	0	115	E227 V228 K248 G249 T250 I288	E227-S246 WeakPolarHBondContact OE1-CB 3.33Å; E227-S246 PolarHBondContact OE1-OG 3.48Å; V228-S246 CarbonylContact O-C 3.58Å; V228-S246 WeakPolarHBondContact O-CA 3.37Å; V228-S246 VanDerWaalsContact O-CB 3.3Å; V228-S246 WeakPolarHBondContact O-CB 3.35Å; S246-K248 PolarHBondContact O-N 2.94Å; S246-K248 VanDerWaalsContact O-N 3.13Å; S246-K248 PolarHBondContact OG-N 3.01Å; S246-G249 PolarHBondContact O-N 3.04Å; S246-T250 PolarHBondContact N-O 3.32Å; S246-T250 PolarHBondContact OG-OG1 2.84Å; S246-I288 PolarHBondContact O-N 2.9Å
247	S	96.8	Very high	97.6	Very high	28 Å²	28	35 Å²	35	20%	0.196	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-8.1	173.4	62	0	0	0	0	114.5	V228 S287	V228-S247 PolarHBondContact N-OG 3.06Å; V228-S247 PolarHBondContact O-N 3.27Å; S247-S287 WeakPolarHBondContact CA-OG 3.3Å; S247-S287 WeakPolarHBondContact O-CA 3.25Å; S247-S287 WeakPolarHBondContact O-CB 3.27Å
248	K	95.3	Very high	97.4	Very high	73 Å²	73	33.1 Å²	33.1	32%	0.317	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	8.4	177.3	-77.3	-174.3	159.2	165.5	0	113.9	T226 E227 S246 T250	T226-K248 WeakPolarHBondContact O-CE 3.41Å; T226-K248 PolarHBondContact O-NZ 2.79Å; T226-K248 PolarHBondContact OG1-NZ 2.77Å; E227-K248 HydrophobicContact CB-CD 4.19Å; E227-K248 HydrophobicContact CG-CD 4.33Å; E227-K248 HydrophobicContact CG-CG 4.43Å; S246-K248 PolarHBondContact O-N 2.94Å; S246-K248 VanDerWaalsContact O-N 3.13Å; S246-K248 PolarHBondContact OG-N 3.01Å; K248-T250 HydrophobicContact CB-CG2 4.5Å; K248-T250 PolarHBondContact O-N 2.99Å
249	G	95.8	Very high	97.2	Very high	19 Å²	19	30.8 Å²	30.8	20%	0.196	17%	0.173	C	C	.	.	S	Bend	trans	76.8	20.5	178.4	0	0	0	0	0	115.1	S246 S286	S246-G249 PolarHBondContact O-N 3.04Å; G249-S286 WeakPolarHBondContact CA-O 3.48Å; G249-S286 PolarHBondContact N-O 2.88Å
250	T	96.6	Very high	96.8	Very high	8 Å²	8	32.1 Å²	32.1	5%	0.049	19%	0.187	C	C	.	.			trans	-105.5	149.6	179.4	71.6	0	0	0	0	110.9	E227 S245 S246 K248 R252 F268	E227-T250 PolarHBondContact OE1-OG1 3.48Å; S245-T250 VanDerWaalsContact CA-O 3.29Å; S245-T250 WeakPolarHBondContact CA-O 3.45Å; S246-T250 PolarHBondContact N-O 3.32Å; S246-T250 PolarHBondContact OG-OG1 2.84Å; K248-T250 HydrophobicContact CB-CG2 4.5Å; K248-T250 PolarHBondContact O-N 2.99Å; T250-R252 PolarHBondContact OG1-NH1 2.91Å; T250-F268 HydrophobicContact CG2-CE2 4.11Å; T250-F268 HydrophobicContact CG2-CZ 3.63Å
251	I	98.4	Very high	96.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.7	171	-46.2	99.1	0	0	0	109.8	V243 F269 I288 M300 T302 W311	V243-I251 HydrophobicContact CB-CG2 4.02Å; V243-I251 HydrophobicContact CG1-CG2 4.28Å; I251-F269 HydrophobicContact CB-CB 4.1Å; I251-F269 HydrophobicContact CD1-CB 4Å; I251-F269 PolarHBondContact N-O 3.17Å; I251-F269 PolarHBondContact O-N 3.23Å; I251-I288 HydrophobicContact CD1-CD1 3.87Å; I251-I288 HydrophobicContact CG1-CD1 3.73Å; I251-M300 HydrophobicContact CB-CE 3.96Å; I251-M300 HydrophobicContact CD1-CE 4.15Å; I251-M300 HydrophobicContact CG1-CE 4.24Å; I251-M300 HydrophobicContact CG2-CE 3.85Å; I251-M300 HydrophobicContact CG2-SD 3.91Å; I251-T302 HydrophobicContact CD1-CG2 3.73Å; I251-T302 HydrophobicContact CG1-CG2 3.76Å; I251-W311 HydrophobicContact CD1-CZ2 4.04Å
252	R	98.1	Very high	96.2	Very high	30 Å²	30	35.5 Å²	35.5	11%	0.113	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124	175.8	-75	172.3	-168.9	100.3	-11.3	109	E227 V243 Y244 T250 H265 F268	E227-R252 VanDerWaalsContact CD-NH2 3.32Å; E227-R252 IonicContact OE1-CZ 3.72Å; E227-R252 VanDerWaalsContact OE1-CZ 3.32Å; E227-R252 IonicContact OE1-NH1 3.8Å; E227-R252 PolarHBondContact OE1-NH1 3.44Å; E227-R252 IonicContact OE1-NH2 3.32Å; E227-R252 PolarHBondContact OE1-NH2 2.89Å; E227-R252 IonicContact OE2-CZ 3.5Å; E227-R252 IonicContact OE2-NH1 2.82Å; E227-R252 IonicContact OE2-NH2 3.69Å; E227-R252 PolarHBondContact OE2-NH2 2.86Å; V243-R252 CarbonylContact C-O 3.53Å; V243-R252 VanDerWaalsContact CA-O 3.24Å; V243-R252 WeakPolarHBondContact CA-O 3.27Å; Y244-R252 HydrophobicContact CD1-CB 4.05Å; Y244-R252 HydrophobicContact CE1-CB 3.6Å; Y244-R252 HydrophobicContact CE2-CB 4.2Å; Y244-R252 VanDerWaalsContact CZ-CD 3.4Å; Y244-R252 PolarHBondContact N-O 3.02Å; Y244-R252 PolarHBondContact O-N 3.12Å; Y244-R252 WeakPolarHBondContact OH-CD 3.36Å; T250-R252 PolarHBondContact OG1-NH1 2.91Å; R252-H265 HydrophobicContact CB-CB 3.85Å; R252-H265 HydrophobicContact CG-CB 3.94Å; R252-F268 HydrophobicContact CG-CD2 3.72Å; R252-F268 HydrophobicContact CG-CE2 4.05Å
253	L	98.3	Very high	95.4	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.063	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126	171.7	-177.7	159.5	0	0	0	108.4	V241 V243 S266 K267 F269 L313	V241-L253 HydrophobicContact CG1-CD1 4.08Å; V241-L253 HydrophobicContact CG1-CD2 3.79Å; V241-L253 HydrophobicContact CG1-CG 3.83Å; V243-L253 HydrophobicContact CG1-CB 3.76Å; V243-L253 HydrophobicContact CG1-CD1 4.14Å; V243-L253 HydrophobicContact CG1-CG 3.93Å; L253-S266 WeakPolarHBondContact O-CA 3.42Å; L253-S266 WeakPolarHBondContact O-CB 3.4Å; L253-S266 PolarHBondContact O-N 2.98Å; L253-K267 HydrophobicContact CB-CB 4.11Å; L253-K267 PolarHBondContact N-O 3.05Å; L253-K267 PolarHBondContact O-N 3.27Å; L253-K267 VanDerWaalsContact O-N 3.12Å; L253-F269 HydrophobicContact CB-CE2 3.9Å; L253-F269 HydrophobicContact CD1-CE2 4.25Å; L253-F269 HydrophobicContact CD1-CZ 4.49Å; L253-L313 HydrophobicContact CD1-CD2 4.07Å
254	C	98.1	Very high	94.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145.1	-177	-67.2	0	0	0	0	110.5	V241 F242 C262	V241-C254 WeakPolarHBondContact CA-O 3.21Å; F242-C254 HydrophobicContact CD1-CB 3.88Å; F242-C254 HydrophobicContact CD2-CB 4.39Å; F242-C254 HydrophobicContact CE1-CB 3.33Å; F242-C254 HydrophobicContact CE2-CB 3.88Å; F242-C254 HydrophobicContact CG-CB 4.4Å; F242-C254 HydrophobicContact CZ-CB 3.33Å; F242-C254 PolarHBondContact N-O 2.9Å; F242-C254 PolarHBondContact O-N 2.76Å; C254-C262 HydrophobicContact CB-CB 3.97Å
255	D	97.5	Very high	94.3	Very high	45 Å²	45	54.3 Å²	54.3	24%	0.241	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	108.6	172.5	-174.5	-13.4	0	0	0	109.3	N240 R257 A258	N240-D255 VanDerWaalsContact ND2-CG 3.34Å; N240-D255 PolarHBondContact ND2-OD1 3.4Å; N240-D255 WeakPolarHBondContact O-CA 3.21Å; D255-R257 PolarHBondContact O-N 3.3Å; D255-R257 VanDerWaalsContact O-N 3.11Å; D255-R257 WeakPolarHBondContact OD1-CB 3.47Å; D255-R257 PolarHBondContact OD1-N 2.6Å; D255-A258 HydrophobicContact CB-CB 4.32Å; D255-A258 WeakPolarHBondContact O-CB 3.26Å; D255-A258 PolarHBondContact O-N 3.42Å
256	M	97.3	Very high	94.1	Very high	43 Å²	43	57.6 Å²	57.6	21%	0.212	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.9	-179.6	-64.3	174.2	166.5	0	0	113.6	L202 I214 N240 F242	L202-M256 HydrophobicContact CD1-CE 4.11Å; L202-M256 HydrophobicContact CD2-CE 4.48Å; I214-M256 HydrophobicContact CD1-CE 3.52Å; N240-M256 HydrophobicContact CB-CB 4.32Å; N240-M256 WeakPolarHBondContact O-CB 3.37Å; N240-M256 WeakPolarHBondContact O-CG 3.23Å; N240-M256 PolarHBondContact O-N 2.93Å; F242-M256 HydrophobicContact CD1-CE 3.59Å; F242-M256 HydrophobicContact CD1-CG 4.06Å; F242-M256 HydrophobicContact CD1-SD 4.44Å; F242-M256 HydrophobicContact CE1-CE 3.76Å; F242-M256 HydrophobicContact CE1-CG 3.89Å; F242-M256 HydrophobicContact CG-CE 4.46Å
257	R	96.4	Very high	94	Very high	179 Å²	179	60.2 Å²	60.2	68%	0.675	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-25.4	174.6	-65.8	170.9	-178.1	161.5	4.2	112.4	N240 D255	N240-R257 HydrophobicContact CB-CG 3.7Å; N240-R257 VanDerWaalsContact CG-CZ 3.41Å; N240-R257 PolarHBondContact OD1-NH1 3Å; N240-R257 PolarHBondContact OD1-NH2 3.01Å; D255-R257 PolarHBondContact O-N 3.3Å; D255-R257 VanDerWaalsContact O-N 3.11Å; D255-R257 WeakPolarHBondContact OD1-CB 3.47Å; D255-R257 PolarHBondContact OD1-N 2.6Å
258	A	94.8	Very high	94.1	Very high	83 Å²	83	61.6 Å²	61.6	69%	0.686	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-36.9	-175.7	0	0	0	0	0	111.6	D255	D255-A258 HydrophobicContact CB-CB 4.32Å; D255-A258 WeakPolarHBondContact O-CB 3.26Å; D255-A258 PolarHBondContact O-N 3.42Å
259	A	91.9	Very high	94.2	Very high	47 Å²	47	58.1 Å²	58.1	39%	0.388	31%	0.309	S	S	.	.			trans	-155.3	151.9	177.2	0	0	0	0	0	110.9	L261	A259-L261 VanDerWaalsContact C-N 3.28Å; A259-L261 WeakPolarHBondContact CB-O 3.33Å; A259-L261 PolarHBondContact O-N 3.01Å
260	A	89.9	Confident	94.2	Very high	78 Å²	78	62 Å²	62	65%	0.645	32%	0.323	S	S	*	.	S	Bend	trans	-63.8	-36.4	175.8	0	0	0	0	0	112	F212	F212-A260 VanDerWaalsContact CE1-O 3.28Å; F212-A260 WeakPolarHBondContact CE1-O 3.26Å
261	L	92.4	Very high	93.8	Very high	89 Å²	89	65.1 Å²	65.1	47%	0.466	34%	0.336	S	S	.	.	S	Bend	trans	-99.6	132.4	169.3	-58.7	177.4	0	0	0	107.8	F212 A259 D263	F212-L261 HydrophobicContact CE2-CD2 4.39Å; F212-L261 HydrophobicContact CZ-CD2 3.88Å; A259-L261 VanDerWaalsContact C-N 3.28Å; A259-L261 WeakPolarHBondContact CB-O 3.33Å; A259-L261 PolarHBondContact O-N 3.01Å; L261-D263 PolarHBondContact O-N 2.72Å
262	C	92	Very high	93.2	Very high	4 Å²	4	70.2 Å²	70.2	3%	0.027	37%	0.37	C	S	.	.			trans	-91.8	36.9	177.1	-62.8	0	0	0	0	110.8	I214 V215 F242 C254 R264	I214-C262 WeakPolarHBondContact O-CA 3.19Å; I214-C262 WeakPolarHBondContact O-CB 3.42Å; I214-C262 PolarHBondContact O-N 3Å; V215-C262 HydrophobicContact CG2-CB 3.89Å; F242-C262 HydrophobicContact CE1-CB 4.17Å; F242-C262 HydrophobicContact CZ-CB 3.87Å; C254-C262 HydrophobicContact CB-CB 3.97Å; C262-R264 PolarHBondContact O-N 3.39Å
263	D	80.4	Confident	92.3	Very high	112 Å²	112	73.4 Å²	73.4	60%	0.599	39%	0.386	S	S	*	.			trans	-66	-26.7	178.7	63.3	-24.4	0	0	0	112.2	L261	L261-D263 PolarHBondContact O-N 2.72Å
264	R	84.8	Confident	91.3	Very high	211 Å²	211	77.2 Å²	77.2	80%	0.796	41%	0.406	S	S	*	.	S	Bend	trans	-101.8	128	165.4	-62.1	-176.1	-177.7	-174.8	-0.2	109.9	C262	C262-R264 PolarHBondContact O-N 3.39Å
265	H	90	Very high	90.5	Very high	79 Å²	79	82.5 Å²	82.5	37%	0.366	44%	0.44	S	S	.	.			trans	-74	145.2	169.7	53.1	-94.2	0	0	0	110	R252 F268	R252-H265 HydrophobicContact CB-CB 3.85Å; R252-H265 HydrophobicContact CG-CB 3.94Å; H265-F268 AromaticContact NE2-CG 3.99Å
266	S	93.4	Very high	89.6	Confident	69 Å²	69	85.2 Å²	85.2	48%	0.483	46%	0.463	S	S	.	.	S	Bend	trans	-75.2	-40.1	174.4	179.8	0	0	0	0	110.7	L253	L253-S266 WeakPolarHBondContact O-CA 3.42Å; L253-S266 WeakPolarHBondContact O-CB 3.4Å; L253-S266 PolarHBondContact O-N 2.98Å
267	K	96.9	Very high	88.5	Confident	56 Å²	56	86.2 Å²	86.2	24%	0.243	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.9	179.1	-71.3	-179.2	176.3	177.5	0	111.1	L253 F269 L313 E316	L253-K267 HydrophobicContact CB-CB 4.11Å; L253-K267 PolarHBondContact N-O 3.05Å; L253-K267 PolarHBondContact O-N 3.27Å; L253-K267 VanDerWaalsContact O-N 3.12Å; K267-F269 HydrophobicContact CB-CD2 4.47Å; K267-F269 HydrophobicContact CB-CE2 3.72Å; K267-F269 HydrophobicContact CB-CZ 4.29Å; K267-F269 HydrophobicContact CD-CE2 4.43Å; K267-F269 HydrophobicContact CD-CZ 4.23Å; K267-L313 PolarHBondContact NZ-O 3.12Å; K267-E316 WeakPolarHBondContact CA-OE1 3.39Å; K267-E316 HydrophobicContact CB-CG 4.19Å; K267-E316 WeakPolarHBondContact CB-OE1 3.44Å; K267-E316 HydrophobicContact CD-CG 4.37Å; K267-E316 HydrophobicContact CG-CG 4.43Å; K267-E316 VanDerWaalsContact CG-OE1 3.3Å; K267-E316 WeakPolarHBondContact CG-OE1 3.46Å
268	F	97.4	Very high	87.8	Confident	57 Å²	57	85.5 Å²	85.5	25%	0.25	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	112.7	-177.2	-172.2	-110.6	0	0	0	110.3	T250 R252 H265 E270 E316	T250-F268 HydrophobicContact CG2-CE2 4.11Å; T250-F268 HydrophobicContact CG2-CZ 3.63Å; R252-F268 HydrophobicContact CG-CD2 3.72Å; R252-F268 HydrophobicContact CG-CE2 4.05Å; H265-F268 AromaticContact NE2-CG 3.99Å; F268-E270 HydrophobicContact CD1-CB 4.14Å; F268-E270 HydrophobicContact CE1-CB 3.68Å; F268-E270 HydrophobicContact CE1-CG 4.32Å; F268-E270 WeakPolarHBondContact CE1-OE2 3.38Å; F268-E270 HydrophobicContact CZ-CB 4.36Å; F268-E316 PolarHBondContact N-OE1 2.79Å; F268-E316 WeakPolarHBondContact O-CB 3.26Å
269	F	98.1	Very high	87.3	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.6	-178.8	-58.3	-106.4	0	0	0	109.3	I251 L253 K267 M300 W311 L313 E316	I251-F269 HydrophobicContact CB-CB 4.1Å; I251-F269 HydrophobicContact CD1-CB 4Å; I251-F269 PolarHBondContact N-O 3.17Å; I251-F269 PolarHBondContact O-N 3.23Å; L253-F269 HydrophobicContact CB-CE2 3.9Å; L253-F269 HydrophobicContact CD1-CE2 4.25Å; L253-F269 HydrophobicContact CD1-CZ 4.49Å; K267-F269 HydrophobicContact CB-CD2 4.47Å; K267-F269 HydrophobicContact CB-CE2 3.72Å; K267-F269 HydrophobicContact CB-CZ 4.29Å; K267-F269 HydrophobicContact CD-CE2 4.43Å; K267-F269 HydrophobicContact CD-CZ 4.23Å; F269-M300 HydrophobicContact CB-CE 3.89Å; F269-M300 HydrophobicContact CD1-CE 3.47Å; F269-M300 VanDerWaalsContact CD1-CE 3.47Å; F269-M300 HydrophobicContact CD2-CE 3.61Å; F269-M300 HydrophobicContact CE1-CE 3.84Å; F269-M300 HydrophobicContact CE2-CE 3.97Å; F269-M300 HydrophobicContact CG-CE 3.36Å; F269-M300 HydrophobicContact CZ-CE 4.08Å; F269-W311 HydrophobicContact CB-CD2 4.47Å; F269-W311 HydrophobicContact CB-CE3 4.01Å; F269-W311 HydrophobicContact CB-CH2 4.47Å; F269-W311 HydrophobicContact CB-CZ3 4Å; F269-W311 HydrophobicContact CD1-CB 4.39Å; F269-W311 HydrophobicContact CD1-CD2 4.39Å; F269-W311 AromaticContact CD1-CE3 3.81Å; F269-W311 HydrophobicContact CD1-CE3 3.81Å; F269-W311 HydrophobicContact CD1-CZ3 4.44Å; F269-W311 HydrophobicContact CG-CE3 4.41Å; F269-L313 HydrophobicContact CZ-CD2 4.25Å; F269-E316 WeakPolarHBondContact CA-O 3.36Å; F269-E316 HydrophobicContact CD1-CB 4.29Å; F269-E316 HydrophobicContact CD1-CG 4.16Å; F269-E316 HydrophobicContact CE1-CB 4.44Å; F269-E316 HydrophobicContact CE1-CG 3.89Å; F269-E316 HydrophobicContact CE2-CG 4.27Å; F269-E316 HydrophobicContact CG-CG 4.45Å; F269-E316 HydrophobicContact CZ-CG 3.95Å
270	E	94.8	Very high	87.1	Confident	101 Å²	101	88.6 Å²	88.6	47%	0.472	47%	0.468	S	S	.	.			trans	-146.7	139.8	-179.9	-176	179.1	-142.5	0	0	108.6	F268 E316 N317	F268-E270 HydrophobicContact CD1-CB 4.14Å; F268-E270 HydrophobicContact CE1-CB 3.68Å; F268-E270 HydrophobicContact CE1-CG 4.32Å; F268-E270 WeakPolarHBondContact CE1-OE2 3.38Å; F268-E270 HydrophobicContact CZ-CB 4.36Å; E270-E316 PolarHBondContact N-O 2.69Å; E270-N317 CarbonylContact O-C 3.25Å
271	E	89.9	Confident	87.3	Confident	73 Å²	73	86.9 Å²	86.9	34%	0.341	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-98.3	122.1	172.2	-175.1	172.8	-159.9	0	0	108.2	E273 K309 W311	E271-E273 PolarHBondContact O-N 2.66Å; E271-E273 VanDerWaalsContact O-N 3.12Å; E271-K309 WeakPolarHBondContact OE2-CE 3.3Å; E271-K309 IonicContact OE2-NZ 2.79Å; E271-K309 PolarHBondContact OE2-NZ 2.85Å; E271-W311 HydrophobicContact CB-CH2 4.08Å
272	P	84.9	Confident	87.2	Confident	107 Å²	107	83.2 Å²	83.2	70%	0.695	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-60.2	118.2	177.2	-22.5	31.9	0	0	0	110.9	N317	P272-N317 VanDerWaalsContact CD-O 3.32Å; P272-N317 WeakPolarHBondContact CD-O 3.11Å
273	E	79	Confident	87.1	Confident	97 Å²	97	87.5 Å²	87.5	45%	0.453	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-79.3	134	171.3	-71.8	-164.5	153.9	0	0	110.8	E271 P275	E271-E273 PolarHBondContact O-N 2.66Å; E271-E273 VanDerWaalsContact O-N 3.12Å; E273-P275 VanDerWaalsContact O-CD 3.31Å; E273-P275 WeakPolarHBondContact O-CD 3.21Å
274	D	77.8	Confident	87.8	Confident	92 Å²	92	83.9 Å²	83.9	49%	0.492	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-68.4	119.1	170.1	-178.1	-16.1	0	0	0	109	S276 S277 R278	D274-S276 PolarHBondContact O-N 3.15Å; D274-S276 WeakPolarHBondContact OD1-CB 3.38Å; D274-S276 PolarHBondContact OD1-N 3.18Å; D274-S276 PolarHBondContact OD1-OG 2.89Å; D274-S276 PolarHBondContact OD2-OG 3.12Å; D274-S277 PolarHBondContact O-N 3.44Å; D274-S277 PolarHBondContact O-OG 2.81Å; D274-R278 PolarHBondContact O-N 3.48Å
275	P	80.9	Confident	88.3	Confident	110 Å²	110	74.9 Å²	74.9	71%	0.714	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.1	179.7	-25.5	34.6	0	0	0	113.7	E273 S277 R278	E273-P275 VanDerWaalsContact O-CD 3.31Å; E273-P275 WeakPolarHBondContact O-CD 3.21Å; P275-S277 VanDerWaalsContact C-N 3.3Å; P275-R278 PolarHBondContact O-N 2.67Å
276	S	78.1	Confident	88.6	Confident	103 Å²	103	72 Å²	72	72%	0.72	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.1	177.9	72.7	0	0	0	0	113.6	D274	D274-S276 PolarHBondContact O-N 3.15Å; D274-S276 WeakPolarHBondContact OD1-CB 3.38Å; D274-S276 PolarHBondContact OD1-N 3.18Å; D274-S276 PolarHBondContact OD1-OG 2.89Å; D274-S276 PolarHBondContact OD2-OG 3.12Å
277	S	75.4	Confident	88.8	Confident	63 Å²	63	70.5 Å²	70.5	44%	0.441	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-7.1	177.8	73.9	0	0	0	0	113.4	D274 P275 S279	D274-S277 PolarHBondContact O-N 3.44Å; D274-S277 PolarHBondContact O-OG 2.81Å; P275-S277 VanDerWaalsContact C-N 3.3Å; S277-S279 PolarHBondContact O-N 3.33Å
278	R	81.1	Confident	88.8	Confident	165 Å²	165	68.1 Å²	68.1	62%	0.623	36%	0.364	S	S	*	.			trans	-71.6	121.3	-176.4	-165.1	172.9	179.1	170.8	1.5	110.5	D274 P275	D274-R278 PolarHBondContact O-N 3.48Å; P275-R278 PolarHBondContact O-N 2.67Å
279	S	85.2	Confident	88.9	Confident	59 Å²	59	66.3 Å²	66.3	41%	0.413	36%	0.358	S	S	.	.			trans	-120.1	168.6	175.5	72.2	0	0	0	0	109.8	S277 F281 S282	S277-S279 PolarHBondContact O-N 3.33Å; S279-F281 PolarHBondContact O-N 3.06Å; S279-F281 PolarHBondContact OG-N 2.82Å; S279-S282 PolarHBondContact N-OG 3.25Å; S279-S282 VanDerWaalsContact O-CB 3.3Å; S279-S282 WeakPolarHBondContact O-CB 3.36Å; S279-S282 PolarHBondContact O-N 2.73Å; S279-S282 PolarHBondContact O-OG 3.26Å; S279-S282 PolarHBondContact OG-N 3.41Å; S279-S282 PolarHBondContact OG-OG 3.49Å; S279-S282 VanDerWaalsContact OG-OG 3.14Å
280	F	87.8	Confident	88.9	Confident	135 Å²	135	66.8 Å²	66.8	59%	0.592	36%	0.361	S	S	*	.	H	α-helix	trans	-52.1	-40.5	170.4	170.4	-102.7	0	0	0	111.9	S282 I284 Y337	F280-S282 VanDerWaalsContact C-N 3.29Å; F280-S282 PolarHBondContact O-N 3.45Å; F280-I284 HydrophobicContact CD1-CD1 4.33Å; F280-I284 HydrophobicContact CE1-CD1 3.68Å; F280-I284 HydrophobicContact CZ-CD1 3.96Å; F280-Y337 HydrophobicContact CE1-CE2 4.34Å
281	F	92.9	Very high	89.1	Confident	42 Å²	42	62 Å²	62	18%	0.184	34%	0.339	C	S	.	.	H	α-helix	trans	-74.6	-16	-179	-63.2	-68.7	0	0	0	113.8	S279 E283 I284 I285 L333 C334 Y337 I342	S279-F281 PolarHBondContact O-N 3.06Å; S279-F281 PolarHBondContact OG-N 2.82Å; F281-E283 VanDerWaalsContact C-N 3.32Å; F281-E283 PolarHBondContact O-N 3.11Å; F281-I284 HydrophobicContact CD1-CD1 4.18Å; F281-I284 PolarHBondContact O-N 2.82Å; F281-I285 WeakPolarHBondContact O-CG1 3.22Å; F281-I285 PolarHBondContact O-N 2.95Å; F281-L333 HydrophobicContact CB-CD1 4.04Å; F281-L333 HydrophobicContact CD1-CB 4.31Å; F281-L333 HydrophobicContact CD2-CB 4.23Å; F281-L333 HydrophobicContact CG-CB 4.12Å; F281-L333 HydrophobicContact CG-CD1 4.4Å; F281-C334 HydrophobicContact CZ-CB 4.24Å; F281-Y337 HydrophobicContact CE1-CD2 4.31Å; F281-Y337 AromaticContact CE1-CG 3.99Å; F281-Y337 HydrophobicContact CE1-CG 3.99Å; F281-I342 HydrophobicContact CD1-CD1 3.98Å
282	S	91	Very high	89.5	Confident	12 Å²	12	60 Å²	60	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-58.1	-45.6	-176.5	-64.5	0	0	0	0	111.3	S279 F280 I284 S286	S279-S282 PolarHBondContact N-OG 3.25Å; S279-S282 VanDerWaalsContact O-CB 3.3Å; S279-S282 WeakPolarHBondContact O-CB 3.36Å; S279-S282 PolarHBondContact O-N 2.73Å; S279-S282 PolarHBondContact O-OG 3.26Å; S279-S282 PolarHBondContact OG-N 3.41Å; S279-S282 PolarHBondContact OG-OG 3.49Å; S279-S282 VanDerWaalsContact OG-OG 3.14Å; F280-S282 VanDerWaalsContact C-N 3.29Å; F280-S282 PolarHBondContact O-N 3.45Å; S282-I284 PolarHBondContact O-N 2.83Å; S282-S286 WeakPolarHBondContact O-CB 3.16Å; S282-S286 PolarHBondContact O-N 3.23Å; S282-S286 PolarHBondContact O-OG 3.05Å
283	E	90.4	Very high	90.1	Very high	95 Å²	95	55.5 Å²	55.5	44%	0.444	30%	0.298	S	S	.	.	H	α-helix	trans	-64.7	-40.9	178.6	-171.1	164.5	-175.1	0	0	111.7	F281 S286	F281-E283 VanDerWaalsContact C-N 3.32Å; F281-E283 PolarHBondContact O-N 3.11Å; E283-S286 PolarHBondContact O-N 3.23Å; E283-S286 PolarHBondContact O-OG 2.8Å
284	I	94.7	Very high	91.1	Very high	35 Å²	35	51 Å²	51	18%	0.179	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-49.9	179.8	-57.6	173.7	0	0	0	111	F280 F281 S282 S286 S287 Y337 I342 F343	F280-I284 HydrophobicContact CD1-CD1 4.33Å; F280-I284 HydrophobicContact CE1-CD1 3.68Å; F280-I284 HydrophobicContact CZ-CD1 3.96Å; F281-I284 HydrophobicContact CD1-CD1 4.18Å; F281-I284 PolarHBondContact O-N 2.82Å; S282-I284 PolarHBondContact O-N 2.83Å; I284-S286 VanDerWaalsContact C-N 3.31Å; I284-S286 PolarHBondContact O-N 3.38Å; I284-S287 WeakPolarHBondContact O-CB 3.26Å; I284-S287 PolarHBondContact O-N 3.26Å; I284-Y337 HydrophobicContact CD1-CD2 3.82Å; I284-Y337 HydrophobicContact CD1-CE2 3.73Å; I284-I342 HydrophobicContact CB-CD1 4.44Å; I284-I342 HydrophobicContact CG2-CD1 3.8Å; I284-I342 HydrophobicContact CG2-CG1 3.89Å; I284-I342 HydrophobicContact CG2-CG2 4.08Å; I284-F343 HydrophobicContact CG2-CD1 4.33Å; I284-F343 HydrophobicContact CG2-CE1 3.83Å
285	I	95.5	Very high	92	Very high	22 Å²	22	50.5 Å²	50.5	11%	0.113	27%	0.272	C	S	.	.	H	α-helix	trans	-77.9	-16.3	-177.1	70.3	-174.3	0	0	0	113.1	F281 S287 D304 Y305 L306 L333 I342	F281-I285 WeakPolarHBondContact O-CG1 3.22Å; F281-I285 PolarHBondContact O-N 2.95Å; I285-S287 VanDerWaalsContact C-N 3.27Å; I285-D304 WeakPolarHBondContact O-CB 3.16Å; I285-Y305 HydrophobicContact CG2-CD1 4.01Å; I285-Y305 HydrophobicContact CG2-CG 4.39Å; I285-Y305 PolarHBondContact O-N 2.86Å; I285-L306 HydrophobicContact CD1-CD1 3.9Å; I285-L333 HydrophobicContact CD1-CD1 4.22Å; I285-L333 HydrophobicContact CG2-CD1 4.42Å; I285-L333 HydrophobicContact CG2-CD2 3.85Å; I285-I342 HydrophobicContact CG2-CD1 3.86Å; I285-I342 HydrophobicContact CG2-CG1 4.1Å
286	S	94.9	Very high	92.7	Very high	19 Å²	19	48.4 Å²	48.4	13%	0.133	26%	0.26	C	S	.	.	H	α-helix	trans	-73.1	-19.9	174.1	73.8	0	0	0	0	112.9	G249 S282 E283 I284 I288	G249-S286 WeakPolarHBondContact CA-O 3.48Å; G249-S286 PolarHBondContact N-O 2.88Å; S282-S286 WeakPolarHBondContact O-CB 3.16Å; S282-S286 PolarHBondContact O-N 3.23Å; S282-S286 PolarHBondContact O-OG 3.05Å; E283-S286 PolarHBondContact O-N 3.23Å; E283-S286 PolarHBondContact O-OG 2.8Å; I284-S286 VanDerWaalsContact C-N 3.31Å; I284-S286 PolarHBondContact O-N 3.38Å; S286-I288 PolarHBondContact O-N 3.45Å
287	S	97.4	Very high	93.7	Very high	38 Å²	38	43.8 Å²	43.8	27%	0.266	23%	0.229	S	C	.	.			trans	-54.3	121.2	177.3	-177.3	0	0	0	0	110.8	S247 I284 I285	S247-S287 WeakPolarHBondContact CA-OG 3.3Å; S247-S287 WeakPolarHBondContact O-CA 3.25Å; S247-S287 WeakPolarHBondContact O-CB 3.27Å; I284-S287 WeakPolarHBondContact O-CB 3.26Å; I284-S287 PolarHBondContact O-N 3.26Å; I285-S287 VanDerWaalsContact C-N 3.27Å
288	I	98.6	Very high	94.7	Very high	5 Å²	5	47 Å²	47	3%	0.026	23%	0.231	C	C	.	.			trans	-80.3	124.9	178.9	-68.6	161.1	0	0	0	108.2	T230 S245 S246 I251 S286 D290 V291 T302 R303	T230-I288 WeakPolarHBondContact CB-O 3.39Å; T230-I288 PolarHBondContact OG1-O 2.81Å; S245-I288 WeakPolarHBondContact OG-CG2 3.5Å; S246-I288 PolarHBondContact O-N 2.9Å; I251-I288 HydrophobicContact CD1-CD1 3.87Å; I251-I288 HydrophobicContact CG1-CD1 3.73Å; S286-I288 PolarHBondContact O-N 3.45Å; I288-D290 VanDerWaalsContact CG2-O 3.29Å; I288-D290 WeakPolarHBondContact CG2-O 3.3Å; I288-V291 HydrophobicContact CG2-CG2 3.74Å; I288-T302 HydrophobicContact CD1-CG2 4.42Å; I288-R303 CarbonylContact C-O 3.58Å; I288-R303 WeakPolarHBondContact CA-O 3.42Å
289	S	98.1	Very high	95.5	Very high	20 Å²	20	41.2 Å²	41.2	14%	0.14	21%	0.209	C	C	.	.			trans	-90.4	-25.8	178.2	57	0	0	0	0	113.7	R303 F346	S289-R303 PolarHBondContact N-O 2.93Å; S289-R303 WeakPolarHBondContact OG-CG 3.43Å; S289-R303 PolarHBondContact OG-O 2.74Å; S289-F346 PolarHBondContact OG-O 2.63Å
290	D	98.6	Very high	96.1	Very high	9 Å²	9	38.4 Å²	38.4	5%	0.048	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	147	-177.4	-166.7	25.1	0	0	0	111.6	I288 T302 R303 E347 C348	I288-D290 VanDerWaalsContact CG2-O 3.29Å; I288-D290 WeakPolarHBondContact CG2-O 3.3Å; D290-T302 WeakPolarHBondContact O-CA 3.28Å; D290-R303 HydrophobicContact CB-CB 4.31Å; D290-R303 PolarHBondContact O-N 2.85Å; D290-E347 WeakPolarHBondContact OD2-CA 3.3Å; D290-C348 PolarHBondContact OD2-N 3.19Å
291	V	98.6	Very high	96.7	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.6	176.4	-179	0	0	0	0	108.8	A231 V243 S245 I288 M301 T302	A231-V291 HydrophobicContact CB-CB 4.36Å; A231-V291 HydrophobicContact CB-CG2 4.19Å; V243-V291 HydrophobicContact CG2-CG1 3.62Å; S245-V291 VanDerWaalsContact OG-CG2 3.26Å; S245-V291 WeakPolarHBondContact OG-CG2 3.36Å; I288-V291 HydrophobicContact CG2-CG2 3.74Å; V291-M301 CarbonylContact C-O 3.55Å; V291-M301 WeakPolarHBondContact CA-O 3.36Å; V291-T302 HydrophobicContact CG1-CG2 4.49Å; V291-T302 HydrophobicContact CG2-CG2 4.16Å
292	K	98.5	Very high	96.9	Very high	29 Å²	29	30 Å²	30	13%	0.126	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	116.5	-177.5	-66.5	-63.8	-176.3	167	0	113	E233 M300 M301 C348 W350	E233-K292 WeakPolarHBondContact OE1-CD 3.07Å; E233-K292 IonicContact OE1-NZ 3.96Å; E233-K292 PolarHBondContact OE1-NZ 3.38Å; E233-K292 WeakPolarHBondContact OE2-CA 3.45Å; K292-M300 CarbonylContact O-C 3.58Å; K292-M300 WeakPolarHBondContact O-CA 3.34Å; K292-M301 HydrophobicContact CB-CE 4.22Å; K292-M301 PolarHBondContact N-O 2.87Å; K292-M301 PolarHBondContact O-N 3Å; K292-C348 WeakPolarHBondContact CG-O 3.42Å; K292-W350 PolarHBondContact O-NE1 2.97Å
293	F	98.6	Very high	97.3	Very high	14 Å²	14	29.5 Å²	29.5	6%	0.061	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	144.4	165.4	-76.8	-70.5	0	0	0	110.9	E233 C234 H235 P236 V243 M300 L313 W350	E233-F293 HydrophobicContact CB-CD2 4.36Å; E233-F293 HydrophobicContact CG-CD2 4.39Å; E233-F293 WeakPolarHBondContact O-CE2 3.41Å; E233-F293 PolarHBondContact OE2-N 3.34Å; C234-F293 WeakPolarHBondContact O-CD2 3.43Å; H235-F293 HydrophobicContact CB-CE2 4.07Å; H235-F293 HydrophobicContact CB-CZ 4.1Å; H235-F293 AromaticContact CD2-CD1 4Å; H235-F293 AromaticContact CD2-CE1 3.73Å; P236-F293 HydrophobicContact CG-CB 4.23Å; V243-F293 HydrophobicContact CB-CE2 4.38Å; V243-F293 HydrophobicContact CB-CZ 4.17Å; V243-F293 HydrophobicContact CG1-CE1 4.2Å; V243-F293 HydrophobicContact CG1-CE2 4.2Å; V243-F293 HydrophobicContact CG1-CZ 3.52Å; V243-F293 HydrophobicContact CG2-CD2 4.29Å; V243-F293 HydrophobicContact CG2-CE2 3.55Å; V243-F293 HydrophobicContact CG2-CZ 3.73Å; F293-M300 HydrophobicContact CD1-CB 4.06Å; F293-M300 HydrophobicContact CE1-CB 4.35Å; F293-L313 HydrophobicContact CD1-CD1 4.29Å; F293-L313 HydrophobicContact CE1-CD1 3.8Å; F293-L313 HydrophobicContact CE1-CD2 3.94Å; F293-L313 HydrophobicContact CE1-CG 4.47Å; F293-W350 VanDerWaalsContact O-CD1 3.24Å; F293-W350 PolarHBondContact O-NE1 2.83Å
294	S	98.3	Very high	97.6	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	13%	0.132	C	C	.	.			trans	-68.6	153.1	167.8	72.8	0	0	0	0	109.6	S296 G297 R298 Y299 D354	S294-S296 PolarHBondContact O-N 3.35Å; S294-S296 PolarHBondContact OG-OG 3.4Å; S294-G297 WeakPolarHBondContact O-CA 3.49Å; S294-G297 PolarHBondContact O-N 2.87Å; S294-G297 PolarHBondContact OG-N 2.89Å; S294-R298 PolarHBondContact OG-N 2.88Å; S294-Y299 PolarHBondContact N-O 2.9Å; S294-Y299 PolarHBondContact OG-N 3.46Å; S294-Y299 VanDerWaalsContact OG-N 3.09Å; S294-Y299 PolarHBondContact OG-O 3.31Å; S294-D354 VanDerWaalsContact CB-OD2 3.3Å; S294-D354 WeakPolarHBondContact CB-OD2 3.26Å
295	H	97.3	Very high	97.8	Very high	83 Å²	83	24.3 Å²	24.3	38%	0.384	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.6	179.2	-59.5	90.6	0	0	0	111.9	H237 G297 N351 D354	H237-H295 PolarHBondContact NE2-O 3.22Å; H295-G297 VanDerWaalsContact C-N 3.26Å; H295-G297 PolarHBondContact O-N 2.85Å; H295-N351 PolarHBondContact CE1-O 3.44Å; H295-N351 PolarHBondContact ND1-O 2.92Å; H295-D354 WeakPolarHBondContact CB-OD1 3.24Å; H295-D354 IonicContact CE1-OD1 3Å; H295-D354 IonicContact CG-OD1 2.81Å; H295-D354 VanDerWaalsContact N-CG 3.34Å; H295-D354 PolarHBondContact N-OD1 2.8Å; H295-D354 PolarHBondContact N-OD2 3.12Å; H295-D354 VanDerWaalsContact N-OD2 3.13Å; H295-D354 IonicContact ND1-OD1 3.91Å; H295-D354 PolarHBondContact ND1-OD1 2.78Å
296	S	96.6	Very high	97.9	Very high	66 Å²	66	23.7 Å²	23.7	46%	0.462	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.6	172.1	50.1	0	0	0	0	114.6	S294 R298 D354	S294-S296 PolarHBondContact O-N 3.35Å; S294-S296 PolarHBondContact OG-OG 3.4Å; S296-R298 PolarHBondContact O-N 2.78Å; S296-D354 VanDerWaalsContact CB-OD2 3.31Å; S296-D354 WeakPolarHBondContact CB-OD2 3.39Å; S296-D354 PolarHBondContact N-OD2 2.82Å; S296-D354 PolarHBondContact OG-OD2 2.67Å
297	G	97.3	Very high	98	Very high	6 Å²	6	23 Å²	23	6%	0.062	12%	0.117	C	C	.	.	S	Bend	trans	70.5	0.7	-173.7	0	0	0	0	0	114.8	H235 S294 H295 L313	H235-G297 WeakPolarHBondContact NE2-CA 3.35Å; H235-G297 PolarHBondContact NE2-O 2.97Å; S294-G297 WeakPolarHBondContact O-CA 3.49Å; S294-G297 PolarHBondContact O-N 2.87Å; S294-G297 PolarHBondContact OG-N 2.89Å; H295-G297 VanDerWaalsContact C-N 3.26Å; H295-G297 PolarHBondContact O-N 2.85Å; G297-L313 WeakPolarHBondContact O-CD1 3.21Å
298	R	97.4	Very high	98.1	Very high	131 Å²	131	21.2 Å²	21.2	49%	0.494	10%	0.104	S	C	.	.	S	Bend	trans	-80.9	-31.8	-179.5	178.8	172.7	173.3	-158.8	-3.6	112.9	S294 S296 D312 L313	S294-R298 PolarHBondContact OG-N 2.88Å; S296-R298 PolarHBondContact O-N 2.78Å; R298-D312 IonicContact CZ-OD2 3.39Å; R298-D312 IonicContact NE-OD2 3.17Å; R298-D312 PolarHBondContact NE-OD2 2.77Å; R298-D312 IonicContact NH2-OD2 2.82Å; R298-D312 PolarHBondContact NH2-OD2 2.87Å; R298-L313 WeakPolarHBondContact O-CG 3.38Å; R298-L313 PolarHBondContact O-N 2.92Å
299	Y	98.4	Very high	98.1	Very high	42 Å²	42	22.7 Å²	22.7	17%	0.165	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	160.3	-175.7	-55.7	-81.3	0	0	0	110.1	S294 V310 W311 D312 V320	S294-Y299 PolarHBondContact N-O 2.9Å; S294-Y299 PolarHBondContact OG-N 3.46Å; S294-Y299 VanDerWaalsContact OG-N 3.09Å; S294-Y299 PolarHBondContact OG-O 3.31Å; Y299-V310 HydrophobicContact CD1-CG1 4.09Å; Y299-V310 HydrophobicContact CG-CG1 4.25Å; Y299-W311 CarbonylContact C-O 3.39Å; Y299-W311 WeakPolarHBondContact CA-O 3.06Å; Y299-W311 WeakPolarHBondContact CB-O 3.45Å; Y299-D312 HydrophobicContact CD1-CB 4.02Å; Y299-D312 HydrophobicContact CE1-CB 3.96Å; Y299-V320 HydrophobicContact CD1-CG2 4.32Å; Y299-V320 HydrophobicContact CE1-CG2 4.39Å
300	M	98.2	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.4	162.4	64.7	-178.4	-175.1	0	0	109.3	V243 I251 F269 K292 F293 V310 W311 L313	V243-M300 HydrophobicContact CG1-SD 4.09Å; I251-M300 HydrophobicContact CB-CE 3.96Å; I251-M300 HydrophobicContact CD1-CE 4.15Å; I251-M300 HydrophobicContact CG1-CE 4.24Å; I251-M300 HydrophobicContact CG2-CE 3.85Å; I251-M300 HydrophobicContact CG2-SD 3.91Å; F269-M300 HydrophobicContact CB-CE 3.89Å; F269-M300 HydrophobicContact CD1-CE 3.47Å; F269-M300 VanDerWaalsContact CD1-CE 3.47Å; F269-M300 HydrophobicContact CD2-CE 3.61Å; F269-M300 HydrophobicContact CE1-CE 3.84Å; F269-M300 HydrophobicContact CE2-CE 3.97Å; F269-M300 HydrophobicContact CG-CE 3.36Å; F269-M300 HydrophobicContact CZ-CE 4.08Å; K292-M300 CarbonylContact O-C 3.58Å; K292-M300 WeakPolarHBondContact O-CA 3.34Å; F293-M300 HydrophobicContact CD1-CB 4.06Å; F293-M300 HydrophobicContact CE1-CB 4.35Å; M300-V310 WeakPolarHBondContact O-CA 3.37Å; M300-W311 HydrophobicContact CE-CB 3.7Å; M300-W311 HydrophobicContact CE-CD2 4.4Å; M300-W311 HydrophobicContact CE-CG 3.86Å; M300-W311 HydrophobicContact CG-CB 3.77Å; M300-W311 HydrophobicContact CG-CG 4.39Å; M300-W311 PolarHBondContact N-O 3.46Å; M300-W311 PolarHBondContact O-N 2.84Å; M300-L313 HydrophobicContact CB-CD2 4.18Å; M300-L313 HydrophobicContact CG-CD2 3.85Å; M300-L313 HydrophobicContact SD-CD2 3.82Å
301	M	98.5	Very high	98.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.7	175.8	173.2	170.5	59	0	0	109.3	V291 K292 V308 K309 C348 W350 I357	V291-M301 CarbonylContact C-O 3.55Å; V291-M301 WeakPolarHBondContact CA-O 3.36Å; K292-M301 HydrophobicContact CB-CE 4.22Å; K292-M301 PolarHBondContact N-O 2.87Å; K292-M301 PolarHBondContact O-N 3Å; M301-V308 HydrophobicContact CG-CG1 3.49Å; M301-V308 VanDerWaalsContact CG-CG1 3.49Å; M301-V308 HydrophobicContact SD-CG1 3.4Å; M301-V308 WeakPolarHBondContact SD-CG1 3.3Å; M301-K309 CarbonylContact C-O 3.57Å; M301-K309 VanDerWaalsContact CA-O 3.28Å; M301-K309 WeakPolarHBondContact CA-O 3.43Å; M301-C348 HydrophobicContact CE-CB 3.67Å; M301-C348 VanDerWaalsContact CE-SG 3.57Å; M301-C348 HydrophobicContact SD-CB 3.96Å; M301-W350 HydrophobicContact CB-CH2 4.23Å; M301-W350 HydrophobicContact CB-CZ2 3.39Å; M301-W350 HydrophobicContact CE-CD2 4.16Å; M301-W350 HydrophobicContact CE-CG 4.15Å; M301-I357 HydrophobicContact CE-CG2 4.26Å; M301-I357 HydrophobicContact SD-CB 4.16Å; M301-I357 HydrophobicContact SD-CD1 3.83Å; M301-I357 HydrophobicContact SD-CG1 3.78Å; M301-I357 HydrophobicContact SD-CG2 3.32Å; M301-I357 WeakPolarHBondContact SD-CG2 3.35Å
302	T	98.6	Very high	98.1	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.1	174.4	60.3	0	0	0	0	109.9	I251 I288 D290 V291 V308 K309 W311	I251-T302 HydrophobicContact CD1-CG2 3.73Å; I251-T302 HydrophobicContact CG1-CG2 3.76Å; I288-T302 HydrophobicContact CD1-CG2 4.42Å; D290-T302 WeakPolarHBondContact O-CA 3.28Å; V291-T302 HydrophobicContact CG1-CG2 4.49Å; V291-T302 HydrophobicContact CG2-CG2 4.16Å; T302-V308 WeakPolarHBondContact O-CA 3.18Å; T302-K309 PolarHBondContact N-O 3.14Å; T302-K309 PolarHBondContact O-N 3.3Å; T302-W311 PolarHBondContact OG1-NE1 3.11Å; T302-W311 VanDerWaalsContact OG1-NE1 3.12Å
303	R	98.6	Very high	98.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.6	170.6	177.3	66.4	-161.4	-111.7	-1.1	108.9	I288 S289 D290 Y305 S307 F346 C348 S359 G360	I288-R303 CarbonylContact C-O 3.58Å; I288-R303 WeakPolarHBondContact CA-O 3.42Å; S289-R303 PolarHBondContact N-O 2.93Å; S289-R303 WeakPolarHBondContact OG-CG 3.43Å; S289-R303 PolarHBondContact OG-O 2.74Å; D290-R303 HydrophobicContact CB-CB 4.31Å; D290-R303 PolarHBondContact O-N 2.85Å; R303-Y305 PolarHBondContact NH2-O 3.01Å; R303-S307 WeakPolarHBondContact CD-O 3.43Å; R303-F346 HydrophobicContact CG-CB 4.12Å; R303-F346 WeakPolarHBondContact CG-O 3.37Å; R303-C348 HydrophobicContact CB-CB 4.19Å; R303-S359 PolarHBondContact NH1-OG 2.83Å; R303-G360 PolarHBondContact NH1-O 3.48Å
304	D	97.9	Very high	98	Very high	15 Å²	15	26.8 Å²	26.8	8%	0.08	13%	0.132	C	C	.	.			trans	-103	-174.5	162.5	67.5	37	0	0	0	109.1	I285 L306 S307 K309	I285-D304 WeakPolarHBondContact O-CB 3.16Å; D304-L306 PolarHBondContact O-N 3.25Å; D304-L306 PolarHBondContact OD1-N 3.01Å; D304-S307 PolarHBondContact N-O 3.03Å; D304-S307 WeakPolarHBondContact OD1-CA 3.4Å; D304-S307 WeakPolarHBondContact OD1-CB 3.39Å; D304-S307 PolarHBondContact OD1-N 2.78Å; D304-S307 PolarHBondContact OD1-OG 3.18Å; D304-S307 PolarHBondContact OD2-OG 2.98Å; D304-K309 WeakPolarHBondContact OD2-CE 3.39Å; D304-K309 IonicContact OD2-NZ 2.86Å
305	Y	98	Very high	97.9	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.027	15%	0.145	C	C	.	.	S	Bend	trans	-59.3	-51.4	-173.9	-171.2	-111.6	0	0	0	111.8	I285 R303 H326 L333 L336 C341 I342 F346 Y362	I285-Y305 HydrophobicContact CG2-CD1 4.01Å; I285-Y305 HydrophobicContact CG2-CG 4.39Å; I285-Y305 PolarHBondContact O-N 2.86Å; R303-Y305 PolarHBondContact NH2-O 3.01Å; Y305-H326 PolarHBondContact O-NE2 2.92Å; Y305-L333 HydrophobicContact CD1-CD2 4.22Å; Y305-L333 HydrophobicContact CE1-CD2 4.08Å; Y305-L336 HydrophobicContact CE1-CD1 4.17Å; Y305-C341 WeakPolarHBondContact CE2-O 3.02Å; Y305-C341 PolarHBondContact OH-O 3.09Å; Y305-I342 HydrophobicContact CD1-CG1 4.28Å; Y305-I342 WeakPolarHBondContact CD2-O 3.44Å; Y305-I342 HydrophobicContact CE1-CG1 4.18Å; Y305-F346 HydrophobicContact CE2-CE2 4.19Å; Y305-Y362 WeakPolarHBondContact CE2-OH 3.36Å; Y305-Y362 WeakPolarHBondContact OH-CE2 3.39Å; Y305-Y362 PolarHBondContact OH-OH 3.26Å
306	L	97.6	Very high	97.9	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.042	14%	0.143	C	C	.	.	S	Bend	trans	-93	-20.7	-171.7	-64.9	-178.9	0	0	0	114.3	I285 D304 V325 L329 R330	I285-L306 HydrophobicContact CD1-CD1 3.9Å; D304-L306 PolarHBondContact O-N 3.25Å; D304-L306 PolarHBondContact OD1-N 3.01Å; L306-V325 WeakPolarHBondContact O-CB 3.43Å; L306-V325 PolarHBondContact O-N 3.16Å; L306-L329 HydrophobicContact CD2-CB 4.49Å; L306-R330 HydrophobicContact CD1-CB 4.4Å; L306-R330 HydrophobicContact CD1-CG 4.4Å
307	S	97.8	Very high	97.9	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.042	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.9	-164.8	81.8	0	0	0	0	114.1	R303 D304 K309 Y323	R303-S307 WeakPolarHBondContact CD-O 3.43Å; D304-S307 PolarHBondContact N-O 3.03Å; D304-S307 WeakPolarHBondContact OD1-CA 3.4Å; D304-S307 WeakPolarHBondContact OD1-CB 3.39Å; D304-S307 PolarHBondContact OD1-N 2.78Å; D304-S307 PolarHBondContact OD1-OG 3.18Å; D304-S307 PolarHBondContact OD2-OG 2.98Å; S307-K309 VanDerWaalsContact OG-CE 3.31Å; S307-K309 WeakPolarHBondContact OG-CE 3.22Å; S307-Y323 CarbonylContact C-O 3.59Å; S307-Y323 VanDerWaalsContact CA-O 3.25Å; S307-Y323 WeakPolarHBondContact CA-O 3.41Å; S307-Y323 WeakPolarHBondContact CB-O 3.35Å
308	V	98.6	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.6	166.2	174.9	0	0	0	0	108.2	M301 T302 Y323 V325 I357	M301-V308 HydrophobicContact CG-CG1 3.49Å; M301-V308 VanDerWaalsContact CG-CG1 3.49Å; M301-V308 HydrophobicContact SD-CG1 3.4Å; M301-V308 WeakPolarHBondContact SD-CG1 3.3Å; T302-V308 WeakPolarHBondContact O-CA 3.18Å; V308-Y323 PolarHBondContact N-O 3.31Å; V308-Y323 PolarHBondContact O-N 3.38Å; V308-V325 HydrophobicContact CB-CG2 4.42Å; V308-V325 HydrophobicContact CG2-CG2 3.7Å; V308-I357 HydrophobicContact CG1-CG2 3.96Å
309	K	98.4	Very high	97.8	Very high	36 Å²	36	31.3 Å²	31.3	16%	0.157	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.3	-178	-60.1	175	-175	-176.7	0	110.1	E271 M301 T302 D304 S307 P319 E321 T322	E271-K309 WeakPolarHBondContact OE2-CE 3.3Å; E271-K309 IonicContact OE2-NZ 2.79Å; E271-K309 PolarHBondContact OE2-NZ 2.85Å; M301-K309 CarbonylContact C-O 3.57Å; M301-K309 VanDerWaalsContact CA-O 3.28Å; M301-K309 WeakPolarHBondContact CA-O 3.43Å; T302-K309 PolarHBondContact N-O 3.14Å; T302-K309 PolarHBondContact O-N 3.3Å; D304-K309 WeakPolarHBondContact OD2-CE 3.39Å; D304-K309 IonicContact OD2-NZ 2.86Å; S307-K309 VanDerWaalsContact OG-CE 3.31Å; S307-K309 WeakPolarHBondContact OG-CE 3.22Å; K309-P319 HydrophobicContact CB-CB 3.94Å; K309-P319 HydrophobicContact CB-CG 4.4Å; K309-P319 HydrophobicContact CD-CG 4.22Å; K309-P319 HydrophobicContact CG-CB 4.49Å; K309-P319 HydrophobicContact CG-CG 4.43Å; K309-E321 CarbonylContact C-O 3.45Å; K309-E321 WeakPolarHBondContact CA-O 3.26Å; K309-T322 HydrophobicContact CG-CG2 4.05Å
310	V	98.6	Very high	97.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.2	172.7	-178	0	0	0	0	108.6	Y299 M300 P319 V320 E321 Y323 W350 I357	Y299-V310 HydrophobicContact CD1-CG1 4.09Å; Y299-V310 HydrophobicContact CG-CG1 4.25Å; M300-V310 WeakPolarHBondContact O-CA 3.37Å; V310-P319 CarbonylContact O-C 3.56Å; V310-P319 WeakPolarHBondContact O-CA 3.46Å; V310-P319 VanDerWaalsContact O-CB 3.3Å; V310-P319 WeakPolarHBondContact O-CB 3.25Å; V310-V320 HydrophobicContact CB-CG2 4.15Å; V310-V320 HydrophobicContact CG1-CG2 3.86Å; V310-V320 WeakPolarHBondContact O-CG2 3.44Å; V310-V320 PolarHBondContact O-N 2.96Å; V310-E321 HydrophobicContact CB-CB 3.93Å; V310-E321 HydrophobicContact CB-CG 4.29Å; V310-E321 HydrophobicContact CG2-CB 4.15Å; V310-E321 PolarHBondContact N-O 2.75Å; V310-E321 PolarHBondContact O-N 2.84Å; V310-Y323 HydrophobicContact CG2-CE2 4.26Å; V310-W350 HydrophobicContact CB-CH2 4.44Å; V310-W350 HydrophobicContact CG1-CH2 3.74Å; V310-W350 HydrophobicContact CG1-CZ2 4.45Å; V310-W350 HydrophobicContact CG2-CH2 3.86Å; V310-W350 HydrophobicContact CG2-CZ3 4.5Å; V310-I357 HydrophobicContact CG2-CD1 3.51Å
311	W	98.6	Very high	97.8	Very high	5 Å²	5	33 Å²	33	2%	0.019	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.9	178.7	-58.5	82.6	0	0	0	109.4	I251 F269 E271 Y299 M300 T302 R318 P319	I251-W311 HydrophobicContact CD1-CZ2 4.04Å; F269-W311 HydrophobicContact CB-CD2 4.47Å; F269-W311 HydrophobicContact CB-CE3 4.01Å; F269-W311 HydrophobicContact CB-CH2 4.47Å; F269-W311 HydrophobicContact CB-CZ3 4Å; F269-W311 HydrophobicContact CD1-CB 4.39Å; F269-W311 HydrophobicContact CD1-CD2 4.39Å; F269-W311 AromaticContact CD1-CE3 3.81Å; F269-W311 HydrophobicContact CD1-CE3 3.81Å; F269-W311 HydrophobicContact CD1-CZ3 4.44Å; F269-W311 HydrophobicContact CG-CE3 4.41Å; E271-W311 HydrophobicContact CB-CH2 4.08Å; Y299-W311 CarbonylContact C-O 3.39Å; Y299-W311 WeakPolarHBondContact CA-O 3.06Å; Y299-W311 WeakPolarHBondContact CB-O 3.45Å; M300-W311 HydrophobicContact CE-CB 3.7Å; M300-W311 HydrophobicContact CE-CD2 4.4Å; M300-W311 HydrophobicContact CE-CG 3.86Å; M300-W311 HydrophobicContact CG-CB 3.77Å; M300-W311 HydrophobicContact CG-CG 4.39Å; M300-W311 PolarHBondContact N-O 3.46Å; M300-W311 PolarHBondContact O-N 2.84Å; T302-W311 PolarHBondContact OG1-NE1 3.11Å; T302-W311 VanDerWaalsContact OG1-NE1 3.12Å; W311-R318 VanDerWaalsContact CE3-C 3.45Å; W311-P319 HydrophobicContact CD2-CB 4.05Å; W311-P319 HydrophobicContact CE3-CB 4.38Å; W311-P319 HydrophobicContact CG-CB 4.46Å; W311-P319 HydrophobicContact CZ2-CB 4.3Å; W311-P319 HydrophobicContact CZ2-CG 4.43Å
312	D	98.2	Very high	97.7	Very high	14 Å²	14	35.8 Å²	35.8	8%	0.075	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	131	164.7	-173.3	-49.5	0	0	0	107.1	R298 Y299 N314 M315 V320	R298-D312 IonicContact CZ-OD2 3.39Å; R298-D312 IonicContact NE-OD2 3.17Å; R298-D312 PolarHBondContact NE-OD2 2.77Å; R298-D312 IonicContact NH2-OD2 2.82Å; R298-D312 PolarHBondContact NH2-OD2 2.87Å; Y299-D312 HydrophobicContact CD1-CB 4.02Å; Y299-D312 HydrophobicContact CE1-CB 3.96Å; D312-N314 PolarHBondContact O-N 2.95Å; D312-N314 WeakPolarHBondContact OD1-CB 3.43Å; D312-N314 PolarHBondContact OD1-N 3.3Å; D312-N314 PolarHBondContact OD1-ND2 3.37Å; D312-N314 VanDerWaalsContact OD1-ND2 3.16Å; D312-M315 HydrophobicContact CB-CB 4.29Å; D312-M315 PolarHBondContact O-N 3.43Å; D312-V320 HydrophobicContact CB-CG1 3.81Å
313	L	97.7	Very high	97.7	Very high	16 Å²	16	36.5 Å²	36.5	8%	0.084	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.4	-177.7	-61.6	-176.8	0	0	0	113.7	L253 K267 F269 F293 G297 R298 M300	L253-L313 HydrophobicContact CD1-CD2 4.07Å; K267-L313 PolarHBondContact NZ-O 3.12Å; F269-L313 HydrophobicContact CZ-CD2 4.25Å; F293-L313 HydrophobicContact CD1-CD1 4.29Å; F293-L313 HydrophobicContact CE1-CD1 3.8Å; F293-L313 HydrophobicContact CE1-CD2 3.94Å; F293-L313 HydrophobicContact CE1-CG 4.47Å; G297-L313 WeakPolarHBondContact O-CD1 3.21Å; R298-L313 WeakPolarHBondContact O-CG 3.38Å; R298-L313 PolarHBondContact O-N 2.92Å; M300-L313 HydrophobicContact CB-CD2 4.18Å; M300-L313 HydrophobicContact CG-CD2 3.85Å; M300-L313 HydrophobicContact SD-CD2 3.82Å
314	N	97.6	Very high	97.7	Very high	125 Å²	125	40.4 Å²	40.4	67%	0.668	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-2.1	173.8	-56.2	-56.5	0	0	0	113.8	D312	D312-N314 PolarHBondContact O-N 2.95Å; D312-N314 WeakPolarHBondContact OD1-CB 3.43Å; D312-N314 PolarHBondContact OD1-N 3.3Å; D312-N314 PolarHBondContact OD1-ND2 3.37Å; D312-N314 VanDerWaalsContact OD1-ND2 3.16Å
315	M	97	Very high	97.6	Very high	55 Å²	55	39.8 Å²	39.8	27%	0.271	20%	0.196	S	C	.	.			trans	-127	94.5	-179.2	-171	169.5	-158.6	0	0	110.6	D312 N317 R318 V320	D312-M315 HydrophobicContact CB-CB 4.29Å; D312-M315 PolarHBondContact O-N 3.43Å; M315-N317 VanDerWaalsContact CE-OD1 3.32Å; M315-N317 WeakPolarHBondContact CE-OD1 3.31Å; M315-N317 VanDerWaalsContact CG-OD1 3.32Å; M315-N317 WeakPolarHBondContact CG-OD1 3.29Å; M315-R318 HydrophobicContact CE-CG 3.76Å; M315-R318 HydrophobicContact SD-CG 4.32Å; M315-V320 HydrophobicContact SD-CG1 4.22Å
316	E	96.8	Very high	97.6	Very high	73 Å²	73	39.5 Å²	39.5	34%	0.341	20%	0.195	S	C	.	.			trans	-81.7	-25.4	-173	-69.8	170.3	98.7	0	0	114.4	K267 F268 F269 E270	K267-E316 WeakPolarHBondContact CA-OE1 3.39Å; K267-E316 HydrophobicContact CB-CG 4.19Å; K267-E316 WeakPolarHBondContact CB-OE1 3.44Å; K267-E316 HydrophobicContact CD-CG 4.37Å; K267-E316 HydrophobicContact CG-CG 4.43Å; K267-E316 VanDerWaalsContact CG-OE1 3.3Å; K267-E316 WeakPolarHBondContact CG-OE1 3.46Å; F268-E316 PolarHBondContact N-OE1 2.79Å; F268-E316 WeakPolarHBondContact O-CB 3.26Å; F269-E316 WeakPolarHBondContact CA-O 3.36Å; F269-E316 HydrophobicContact CD1-CB 4.29Å; F269-E316 HydrophobicContact CD1-CG 4.16Å; F269-E316 HydrophobicContact CE1-CB 4.44Å; F269-E316 HydrophobicContact CE1-CG 3.89Å; F269-E316 HydrophobicContact CE2-CG 4.27Å; F269-E316 HydrophobicContact CG-CG 4.45Å; F269-E316 HydrophobicContact CZ-CG 3.95Å; E270-E316 PolarHBondContact N-O 2.69Å
317	N	95.6	Very high	97.4	Very high	97 Å²	97	42.3 Å²	42.3	52%	0.519	21%	0.209	S	C	.	.	S	Bend	trans	-86.2	-8.7	-166	64.3	-19	0	0	0	115.5	E270 P272 M315	E270-N317 CarbonylContact O-C 3.25Å; P272-N317 VanDerWaalsContact CD-O 3.32Å; P272-N317 WeakPolarHBondContact CD-O 3.11Å; M315-N317 VanDerWaalsContact CE-OD1 3.32Å; M315-N317 WeakPolarHBondContact CE-OD1 3.31Å; M315-N317 VanDerWaalsContact CG-OD1 3.32Å; M315-N317 WeakPolarHBondContact CG-OD1 3.29Å
318	R	96.4	Very high	97.2	Very high	145 Å²	145	43.7 Å²	43.7	55%	0.547	21%	0.213	S	C	.	.	S	Bend	trans	-169.8	155.5	175.3	59.6	179.6	-173.3	-167.6	-0.9	110.8	W311 M315	W311-R318 VanDerWaalsContact CE3-C 3.45Å; M315-R318 HydrophobicContact CE-CG 3.76Å; M315-R318 HydrophobicContact SD-CG 4.32Å
319	P	97.6	Very high	97.1	Very high	12 Å²	12	43.7 Å²	43.7	8%	0.078	21%	0.213	C	C	.	.			trans	-65	150	168.8	29.9	-36.9	0	0	0	111.3	K309 V310 W311 T322	K309-P319 HydrophobicContact CB-CB 3.94Å; K309-P319 HydrophobicContact CB-CG 4.4Å; K309-P319 HydrophobicContact CD-CG 4.22Å; K309-P319 HydrophobicContact CG-CB 4.49Å; K309-P319 HydrophobicContact CG-CG 4.43Å; V310-P319 CarbonylContact O-C 3.56Å; V310-P319 WeakPolarHBondContact O-CA 3.46Å; V310-P319 VanDerWaalsContact O-CB 3.3Å; V310-P319 WeakPolarHBondContact O-CB 3.25Å; W311-P319 HydrophobicContact CD2-CB 4.05Å; W311-P319 HydrophobicContact CE3-CB 4.38Å; W311-P319 HydrophobicContact CG-CB 4.46Å; W311-P319 HydrophobicContact CZ2-CB 4.3Å; W311-P319 HydrophobicContact CZ2-CG 4.43Å; P319-T322 WeakPolarHBondContact CG-OG1 3.37Å
320	V	97.5	Very high	96.9	Very high	54 Å²	54	48.2 Å²	48.2	33%	0.327	23%	0.229	S	C	.	.	S	Bend	trans	-79.2	-24.8	172	-70.7	0	0	0	0	112.1	Y299 V310 D312 M315	Y299-V320 HydrophobicContact CD1-CG2 4.32Å; Y299-V320 HydrophobicContact CE1-CG2 4.39Å; V310-V320 HydrophobicContact CB-CG2 4.15Å; V310-V320 HydrophobicContact CG1-CG2 3.86Å; V310-V320 WeakPolarHBondContact O-CG2 3.44Å; V310-V320 PolarHBondContact O-N 2.96Å; D312-V320 HydrophobicContact CB-CG1 3.81Å; M315-V320 HydrophobicContact SD-CG1 4.22Å
321	E	97.7	Very high	96.6	Very high	22 Å²	22	53.1 Å²	53.1	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	136.8	-179.1	-48.9	172.4	-164.1	0	0	109.8	K309 V310 Y323 R371 R374	K309-E321 CarbonylContact C-O 3.45Å; K309-E321 WeakPolarHBondContact CA-O 3.26Å; V310-E321 HydrophobicContact CB-CB 3.93Å; V310-E321 HydrophobicContact CB-CG 4.29Å; V310-E321 HydrophobicContact CG2-CB 4.15Å; V310-E321 PolarHBondContact N-O 2.75Å; V310-E321 PolarHBondContact O-N 2.84Å; E321-Y323 HydrophobicContact CB-CD2 4.46Å; E321-Y323 HydrophobicContact CB-CE2 3.67Å; E321-Y323 PolarHBondContact OE2-OH 2.8Å; E321-R371 IonicContact OE1-CZ 3.98Å; E321-R371 IonicContact OE1-NE 3.77Å; E321-R371 PolarHBondContact OE1-NE 2.83Å; E321-R371 IonicContact OE1-NH2 3.76Å; E321-R371 PolarHBondContact OE1-NH2 3.13Å; E321-R371 WeakPolarHBondContact OE2-CG 3.25Å; E321-R371 IonicContact OE2-CZ 3.43Å; E321-R371 IonicContact OE2-NE 3.25Å; E321-R371 PolarHBondContact OE2-NE 2.81Å; E321-R371 IonicContact OE2-NH2 2.76Å; E321-R374 VanDerWaalsContact CB-NH1 3.34Å; E321-R374 IonicContact OE2-NH1 3.68Å
322	T	97.5	Very high	96.4	Very high	60 Å²	60	55.8 Å²	55.8	37%	0.368	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.9	176.2	-59.6	0	0	0	0	109.3	K309 P319	K309-T322 HydrophobicContact CG-CG2 4.05Å; P319-T322 WeakPolarHBondContact CG-OG1 3.37Å
323	Y	98.1	Very high	96.3	Very high	16 Å²	16	55.8 Å²	55.8	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.4	-176.1	-65	-77.9	0	0	0	110.1	S307 V308 V310 E321 V325 I357 F369 R371 R374	S307-Y323 CarbonylContact C-O 3.59Å; S307-Y323 VanDerWaalsContact CA-O 3.25Å; S307-Y323 WeakPolarHBondContact CA-O 3.41Å; S307-Y323 WeakPolarHBondContact CB-O 3.35Å; V308-Y323 PolarHBondContact N-O 3.31Å; V308-Y323 PolarHBondContact O-N 3.38Å; V310-Y323 HydrophobicContact CG2-CE2 4.26Å; E321-Y323 HydrophobicContact CB-CD2 4.46Å; E321-Y323 HydrophobicContact CB-CE2 3.67Å; E321-Y323 PolarHBondContact OE2-OH 2.8Å; Y323-V325 PolarHBondContact O-N 2.96Å; Y323-I357 HydrophobicContact CD2-CD1 4.32Å; Y323-I357 HydrophobicContact CE2-CD1 4.05Å; Y323-F369 HydrophobicContact CD1-CB 3.73Å; Y323-F369 AromaticContact CD1-CD1 3.39Å; Y323-F369 HydrophobicContact CD1-CD1 3.39Å; Y323-F369 HydrophobicContact CD1-CE1 4.17Å; Y323-F369 AromaticContact CD1-CG 3.72Å; Y323-F369 HydrophobicContact CD1-CG 3.72Å; Y323-F369 HydrophobicContact CE1-CB 3.87Å; Y323-F369 HydrophobicContact CE1-CD1 4.26Å; Y323-F369 HydrophobicContact CE1-CG 4.37Å; Y323-F369 HydrophobicContact CG-CB 4.09Å; Y323-F369 AromaticContact CG-CD1 3.8Å; Y323-F369 HydrophobicContact CG-CD1 3.8Å; Y323-F369 HydrophobicContact CG-CD2 4.47Å; Y323-F369 HydrophobicContact CG-CE1 4.33Å; Y323-F369 AromaticContact CG-CG 3.87Å; Y323-F369 HydrophobicContact CG-CG 3.87Å; Y323-R371 WeakPolarHBondContact OH-CA 3.36Å; Y323-R374 PolarHBondContact OH-NH1 2.82Å
324	Q	97.6	Very high	96.1	Very high	82 Å²	82	58.4 Å²	58.4	38%	0.383	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.6	177.8	-60	-55.8	-22.2	0	0	110	E327 R367	Q324-E327 HydrophobicContact CB-CB 4.18Å; Q324-E327 PolarHBondContact OE1-OE2 3.26Å; Q324-R367 PolarHBondContact O-NH2 3.26Å
325	V	97.6	Very high	96	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	28%	0.276	C	S	.	.	S	Bend	trans	-79.3	-50.4	-177.2	-178.5	0	0	0	0	110.6	L306 V308 Y323 R367 F369	L306-V325 WeakPolarHBondContact O-CB 3.43Å; L306-V325 PolarHBondContact O-N 3.16Å; V308-V325 HydrophobicContact CB-CG2 4.42Å; V308-V325 HydrophobicContact CG2-CG2 3.7Å; Y323-V325 PolarHBondContact O-N 2.96Å; V325-R367 HydrophobicContact CG1-CB 4.32Å; V325-R367 HydrophobicContact CG1-CG 3.79Å; V325-R367 WeakPolarHBondContact O-CD 3.47Å; V325-R367 PolarHBondContact O-NE 2.82Å; V325-F369 HydrophobicContact CG2-CE2 4.33Å; V325-F369 HydrophobicContact CG2-CZ 4.22Å
326	H	96.2	Very high	96	Very high	1 Å²	1	52 Å²	52	1%	0.005	26%	0.264	C	S	.	.			trans	-151.3	55.9	-176.3	49.1	-160.1	0	0	0	111.4	Y305 Y328 L329 S361 Y362	Y305-H326 PolarHBondContact O-NE2 2.92Å; H326-Y328 HydrophobicContact CB-CD1 4.34Å; H326-Y328 HydrophobicContact CB-CD2 4.43Å; H326-Y328 HydrophobicContact CB-CE1 3.69Å; H326-Y328 HydrophobicContact CB-CE2 3.78Å; H326-Y328 WeakPolarHBondContact CB-OH 3.34Å; H326-Y328 PolarHBondContact O-N 3.24Å; H326-L329 HydrophobicContact CB-CD1 3.99Å; H326-L329 HydrophobicContact CB-CG 4.18Å; H326-L329 WeakPolarHBondContact ND1-CD1 3.35Å; H326-L329 WeakPolarHBondContact O-CB 3.31Å; H326-L329 PolarHBondContact O-N 3.15Å; H326-S361 PolarHBondContact ND1-OG 3.33Å; H326-Y362 AromaticContact CE1-CE2 3.93Å
327	E	94.6	Very high	96	Very high	68 Å²	68	53 Å²	53	32%	0.318	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-54.3	-24.2	179.8	-170.5	62.5	-172.3	0	0	113.4	Q324 L329 R330	Q324-E327 HydrophobicContact CB-CB 4.18Å; Q324-E327 PolarHBondContact OE1-OE2 3.26Å; E327-L329 PolarHBondContact O-N 3.5Å; E327-R330 VanDerWaalsContact O-CB 3.27Å; E327-R330 WeakPolarHBondContact O-CB 3.31Å; E327-R330 PolarHBondContact O-N 3.07Å; E327-R330 WeakPolarHBondContact OE1-CD 3.41Å; E327-R330 IonicContact OE1-CZ 3.48Å; E327-R330 IonicContact OE1-NE 3.7Å; E327-R330 IonicContact OE1-NH1 2.6Å; E327-R330 PolarHBondContact OE1-NH1 2.89Å
328	Y	94.1	Very high	95.9	Very high	34 Å²	34	54.9 Å²	54.9	13%	0.133	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-60.3	-13.8	173	55.9	-104.9	0	0	0	114	H326 S361 V397 V410 L413	H326-Y328 HydrophobicContact CB-CD1 4.34Å; H326-Y328 HydrophobicContact CB-CD2 4.43Å; H326-Y328 HydrophobicContact CB-CE1 3.69Å; H326-Y328 HydrophobicContact CB-CE2 3.78Å; H326-Y328 WeakPolarHBondContact CB-OH 3.34Å; H326-Y328 PolarHBondContact O-N 3.24Å; Y328-S361 PolarHBondContact OH-OG 3.11Å; Y328-V397 HydrophobicContact CD1-CB 3.97Å; Y328-V397 HydrophobicContact CD1-CG1 4.14Å; Y328-V397 HydrophobicContact CD1-CG2 4.48Å; Y328-V397 HydrophobicContact CD2-CB 4.45Å; Y328-V397 HydrophobicContact CD2-CG1 3.81Å; Y328-V397 HydrophobicContact CE1-CB 3.93Å; Y328-V397 HydrophobicContact CE1-CG1 4.32Å; Y328-V397 HydrophobicContact CE1-CG2 3.93Å; Y328-V397 HydrophobicContact CE2-CB 4.43Å; Y328-V397 HydrophobicContact CE2-CG1 4.01Å; Y328-V397 HydrophobicContact CE2-CG2 4.34Å; Y328-V397 HydrophobicContact CG-CB 4.24Å; Y328-V397 HydrophobicContact CG-CG1 3.89Å; Y328-V410 HydrophobicContact CD2-CG1 4.49Å; Y328-V410 HydrophobicContact CD2-CG2 4Å; Y328-V410 HydrophobicContact CG-CG2 4.23Å; Y328-L413 HydrophobicContact CD2-CD1 4.07Å; Y328-L413 HydrophobicContact CE2-CD1 3.52Å
329	L	95.7	Very high	95.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-88.2	-8.4	174.3	-62.3	-177.5	0	0	0	113.9	L306 H326 E327 S331 K332 L333 L336 Y362 V410 L413 F415	L306-L329 HydrophobicContact CD2-CB 4.49Å; H326-L329 HydrophobicContact CB-CD1 3.99Å; H326-L329 HydrophobicContact CB-CG 4.18Å; H326-L329 WeakPolarHBondContact ND1-CD1 3.35Å; H326-L329 WeakPolarHBondContact O-CB 3.31Å; H326-L329 PolarHBondContact O-N 3.15Å; E327-L329 PolarHBondContact O-N 3.5Å; L329-S331 PolarHBondContact O-N 3.2Å; L329-K332 CarbonylContact O-C 3.55Å; L329-K332 WeakPolarHBondContact O-CA 3.5Å; L329-K332 WeakPolarHBondContact O-CB 3.4Å; L329-K332 PolarHBondContact O-N 2.63Å; L329-L333 PolarHBondContact O-N 3.28Å; L329-L336 HydrophobicContact CB-CD1 3.99Å; L329-L336 HydrophobicContact CD1-CD1 4.43Å; L329-Y362 HydrophobicContact CD1-CD2 3.58Å; L329-Y362 HydrophobicContact CD1-CE2 3.79Å; L329-V410 HydrophobicContact CD2-CG1 4.28Å; L329-L413 HydrophobicContact CD2-CD1 4.08Å; L329-F415 HydrophobicContact CD1-CE1 4.38Å; L329-F415 HydrophobicContact CD2-CE1 3.74Å; L329-F415 HydrophobicContact CD2-CZ 3.97Å
330	R	94.1	Very high	95.8	Very high	132 Å²	132	57.9 Å²	57.9	50%	0.498	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-60.2	-33.6	-176.9	-171.3	166.9	-171.9	155.9	7	113.3	L306 E327 K332 L333	L306-R330 HydrophobicContact CD1-CB 4.4Å; L306-R330 HydrophobicContact CD1-CG 4.4Å; E327-R330 VanDerWaalsContact O-CB 3.27Å; E327-R330 WeakPolarHBondContact O-CB 3.31Å; E327-R330 PolarHBondContact O-N 3.07Å; E327-R330 WeakPolarHBondContact OE1-CD 3.41Å; E327-R330 IonicContact OE1-CZ 3.48Å; E327-R330 IonicContact OE1-NE 3.7Å; E327-R330 IonicContact OE1-NH1 2.6Å; E327-R330 PolarHBondContact OE1-NH1 2.89Å; R330-K332 PolarHBondContact O-N 3.24Å; R330-L333 HydrophobicContact CG-CD1 4.3Å; R330-L333 WeakPolarHBondContact O-CG 3.4Å
331	S	92.4	Very high	95.8	Very high	102 Å²	102	56 Å²	56	71%	0.713	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-76.4	-8.1	174.2	59.8	0	0	0	0	113.8	L329	L329-S331 PolarHBondContact O-N 3.2Å
332	K	94.4	Very high	95.7	Very high	62 Å²	62	55.2 Å²	55.2	27%	0.27	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-108.2	5.5	-178.4	-59	-61.5	-171.1	173.2	0	113.2	L329 R330 C334 S335 L336 V410 D411	L329-K332 CarbonylContact O-C 3.55Å; L329-K332 WeakPolarHBondContact O-CA 3.5Å; L329-K332 WeakPolarHBondContact O-CB 3.4Å; L329-K332 PolarHBondContact O-N 2.63Å; R330-K332 PolarHBondContact O-N 3.24Å; K332-C334 PolarHBondContact O-N 3.07Å; K332-C334 VanDerWaalsContact O-N 3.14Å; K332-S335 PolarHBondContact O-N 2.81Å; K332-S335 PolarHBondContact O-OG 3.29Å; K332-L336 HydrophobicContact CB-CD1 4.07Å; K332-L336 HydrophobicContact CB-CG 4.35Å; K332-L336 VanDerWaalsContact O-CG 3.29Å; K332-L336 WeakPolarHBondContact O-CG 3.44Å; K332-L336 PolarHBondContact O-N 3.26Å; K332-V410 HydrophobicContact CG-CG1 4.06Å; K332-D411 VanDerWaalsContact CE-OD1 3.24Å; K332-D411 WeakPolarHBondContact CE-OD1 3.33Å; K332-D411 IonicContact NZ-OD1 3.11Å; K332-D411 PolarHBondContact NZ-OD1 3.39Å
333	L	95.3	Very high	95.7	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.068	29%	0.287	C	S	.	.	H	α-helix	trans	-54.7	-36.4	-177.7	-68.4	176	0	0	0	113.2	F281 I285 Y305 L329 R330 L336 Y337 I342	F281-L333 HydrophobicContact CB-CD1 4.04Å; F281-L333 HydrophobicContact CD1-CB 4.31Å; F281-L333 HydrophobicContact CD2-CB 4.23Å; F281-L333 HydrophobicContact CG-CB 4.12Å; F281-L333 HydrophobicContact CG-CD1 4.4Å; I285-L333 HydrophobicContact CD1-CD1 4.22Å; I285-L333 HydrophobicContact CG2-CD1 4.42Å; I285-L333 HydrophobicContact CG2-CD2 3.85Å; Y305-L333 HydrophobicContact CD1-CD2 4.22Å; Y305-L333 HydrophobicContact CE1-CD2 4.08Å; L329-L333 PolarHBondContact O-N 3.28Å; R330-L333 HydrophobicContact CG-CD1 4.3Å; R330-L333 WeakPolarHBondContact O-CG 3.4Å; L333-L336 PolarHBondContact O-N 3.14Å; L333-Y337 WeakPolarHBondContact O-CB 3.47Å; L333-Y337 PolarHBondContact O-N 2.88Å; L333-I342 HydrophobicContact CD2-CD1 4.07Å
334	C	95.4	Very high	95.7	Very high	71 Å²	71	57.6 Å²	57.6	48%	0.48	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-49.8	176.1	-164.2	0	0	0	0	112.1	F281 K332 L336 Y337 E338	F281-C334 HydrophobicContact CZ-CB 4.24Å; K332-C334 PolarHBondContact O-N 3.07Å; K332-C334 VanDerWaalsContact O-N 3.14Å; C334-L336 VanDerWaalsContact C-N 3.31Å; C334-L336 PolarHBondContact O-N 2.91Å; C334-Y337 PolarHBondContact O-N 2.87Å; C334-E338 WeakPolarHBondContact O-CG 3.35Å; C334-E338 PolarHBondContact O-N 3.29Å
335	S	94.7	Very high	95.7	Very high	43 Å²	43	59.3 Å²	59.3	30%	0.301	30%	0.296	S	S	.	.	H	α-helix	trans	-69.4	-30.2	178.5	60.4	0	0	0	0	112.8	K332 Y337 E338 N339	K332-S335 PolarHBondContact O-N 2.81Å; K332-S335 PolarHBondContact O-OG 3.29Å; S335-Y337 VanDerWaalsContact C-N 3.32Å; S335-E338 PolarHBondContact O-N 2.87Å; S335-N339 PolarHBondContact O-N 2.86Å; S335-N339 PolarHBondContact O-ND2 3.21Å
336	L	96.2	Very high	95.8	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-71.4	-31.2	176.6	-68.4	166.2	0	0	0	111.7	Y305 L329 K332 L333 C334 D340 C341 I342 F415	Y305-L336 HydrophobicContact CE1-CD1 4.17Å; L329-L336 HydrophobicContact CB-CD1 3.99Å; L329-L336 HydrophobicContact CD1-CD1 4.43Å; K332-L336 HydrophobicContact CB-CD1 4.07Å; K332-L336 HydrophobicContact CB-CG 4.35Å; K332-L336 VanDerWaalsContact O-CG 3.29Å; K332-L336 WeakPolarHBondContact O-CG 3.44Å; K332-L336 PolarHBondContact O-N 3.26Å; L333-L336 PolarHBondContact O-N 3.14Å; C334-L336 VanDerWaalsContact C-N 3.31Å; C334-L336 PolarHBondContact O-N 2.91Å; L336-D340 CarbonylContact O-C 3.53Å; L336-D340 PolarHBondContact O-N 2.79Å; L336-C341 HydrophobicContact CB-CB 4.45Å; L336-C341 HydrophobicContact CD2-CB 3.76Å; L336-C341 PolarHBondContact O-N 3.29Å; L336-I342 HydrophobicContact CB-CB 4.29Å; L336-I342 PolarHBondContact O-N 3.45Å; L336-F415 HydrophobicContact CD2-CD1 3.68Å; L336-F415 HydrophobicContact CD2-CE1 3.58Å; L336-F415 HydrophobicContact CD2-CG 4.26Å; L336-F415 HydrophobicContact CD2-CZ 4.07Å
337	Y	96.4	Very high	95.9	Very high	94 Å²	94	60.2 Å²	60.2	37%	0.369	30%	0.299	S	S	.	.	H	α-helix	trans	-71.3	-42.3	171.8	178.7	-94	0	0	0	111.8	F280 F281 I284 L333 C334 S335 N339 D340 I342 F343	F280-Y337 HydrophobicContact CE1-CE2 4.34Å; F281-Y337 HydrophobicContact CE1-CD2 4.31Å; F281-Y337 AromaticContact CE1-CG 3.99Å; F281-Y337 HydrophobicContact CE1-CG 3.99Å; I284-Y337 HydrophobicContact CD1-CD2 3.82Å; I284-Y337 HydrophobicContact CD1-CE2 3.73Å; L333-Y337 WeakPolarHBondContact O-CB 3.47Å; L333-Y337 PolarHBondContact O-N 2.88Å; C334-Y337 PolarHBondContact O-N 2.87Å; S335-Y337 VanDerWaalsContact C-N 3.32Å; Y337-N339 PolarHBondContact O-N 3.21Å; Y337-D340 PolarHBondContact O-N 3.48Å; Y337-I342 HydrophobicContact CD2-CG2 3.99Å; Y337-F343 HydrophobicContact CD2-CE2 4.41Å; Y337-F343 HydrophobicContact CD2-CZ 4.05Å; Y337-F343 HydrophobicContact CE2-CE2 4.41Å; Y337-F343 AromaticContact CE2-CZ 3.84Å; Y337-F343 HydrophobicContact CE2-CZ 3.84Å
338	E	95.5	Very high	96	Very high	138 Å²	138	57 Å²	57	65%	0.645	29%	0.285	S	S	*	.	H	α-helix	trans	-62.8	-27.7	177.7	-72.5	171.6	-171.1	0	0	113.7	C334 S335	C334-E338 WeakPolarHBondContact O-CG 3.35Å; C334-E338 PolarHBondContact O-N 3.29Å; S335-E338 PolarHBondContact O-N 2.87Å
339	N	94.3	Very high	96.2	Very high	112 Å²	112	56.2 Å²	56.2	60%	0.599	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	17.6	-179.8	-64.7	-28.2	0	0	0	113.3	S335 Y337 C341	S335-N339 PolarHBondContact O-N 2.86Å; S335-N339 PolarHBondContact O-ND2 3.21Å; Y337-N339 PolarHBondContact O-N 3.21Å; N339-C341 PolarHBondContact O-N 3.31Å; N339-C341 PolarHBondContact O-SG 3.01Å
340	D	96.8	Very high	96.4	Very high	108 Å²	108	56.8 Å²	56.8	58%	0.578	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	0.1	-179.7	-63.3	-45.1	0	0	0	117	L336 Y337 I342 F343	L336-D340 CarbonylContact O-C 3.53Å; L336-D340 PolarHBondContact O-N 2.79Å; Y337-D340 PolarHBondContact O-N 3.48Å; D340-I342 PolarHBondContact O-N 3.16Å; D340-F343 HydrophobicContact CB-CD2 4.18Å; D340-F343 PolarHBondContact O-N 3.17Å
341	C	96.9	Very high	96.5	Very high	14 Å²	14	50.7 Å²	50.7	10%	0.095	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-60.7	-28.5	179.1	-66.2	0	0	0	0	111.9	Y305 L336 N339 F343 D344 Y362	Y305-C341 WeakPolarHBondContact CE2-O 3.02Å; Y305-C341 PolarHBondContact OH-O 3.09Å; L336-C341 HydrophobicContact CB-CB 4.45Å; L336-C341 HydrophobicContact CD2-CB 3.76Å; L336-C341 PolarHBondContact O-N 3.29Å; N339-C341 PolarHBondContact O-N 3.31Å; N339-C341 PolarHBondContact O-SG 3.01Å; C341-F343 PolarHBondContact O-N 2.84Å; C341-F343 VanDerWaalsContact O-N 3.1Å; C341-D344 VanDerWaalsContact O-CB 3.3Å; C341-D344 WeakPolarHBondContact O-CB 3.37Å; C341-D344 PolarHBondContact O-N 2.85Å; C341-Y362 HydrophobicContact CB-CE1 4.35Å; C341-Y362 PolarHBondContact O-OH 3.21Å
342	I	96.7	Very high	96.5	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.2	-18.9	176.9	-158.2	169.2	0	0	0	113.5	F281 I284 I285 Y305 L333 L336 Y337 D340	F281-I342 HydrophobicContact CD1-CD1 3.98Å; I284-I342 HydrophobicContact CB-CD1 4.44Å; I284-I342 HydrophobicContact CG2-CD1 3.8Å; I284-I342 HydrophobicContact CG2-CG1 3.89Å; I284-I342 HydrophobicContact CG2-CG2 4.08Å; I285-I342 HydrophobicContact CG2-CD1 3.86Å; I285-I342 HydrophobicContact CG2-CG1 4.1Å; Y305-I342 HydrophobicContact CD1-CG1 4.28Å; Y305-I342 WeakPolarHBondContact CD2-O 3.44Å; Y305-I342 HydrophobicContact CE1-CG1 4.18Å; L333-I342 HydrophobicContact CD2-CD1 4.07Å; L336-I342 HydrophobicContact CB-CB 4.29Å; L336-I342 PolarHBondContact O-N 3.45Å; Y337-I342 HydrophobicContact CD2-CG2 3.99Å; D340-I342 PolarHBondContact O-N 3.16Å
343	F	97.3	Very high	96.5	Very high	106 Å²	106	48.1 Å²	48.1	47%	0.465	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-94.7	3.1	178.8	-54.8	-65.1	0	0	0	113.5	I284 Y337 D340 C341 K345	I284-F343 HydrophobicContact CG2-CD1 4.33Å; I284-F343 HydrophobicContact CG2-CE1 3.83Å; Y337-F343 HydrophobicContact CD2-CE2 4.41Å; Y337-F343 HydrophobicContact CD2-CZ 4.05Å; Y337-F343 HydrophobicContact CE2-CE2 4.41Å; Y337-F343 AromaticContact CE2-CZ 3.84Å; Y337-F343 HydrophobicContact CE2-CZ 3.84Å; D340-F343 HydrophobicContact CB-CD2 4.18Å; D340-F343 PolarHBondContact O-N 3.17Å; C341-F343 PolarHBondContact O-N 2.84Å; C341-F343 VanDerWaalsContact O-N 3.1Å; F343-K345 PolarHBondContact O-N 2.9Å
344	D	97.9	Very high	96.6	Very high	20 Å²	20	48 Å²	48	11%	0.107	26%	0.257	C	S	.	.			trans	-60.9	126.5	175.1	-76.9	-39.2	0	0	0	111.3	C341 F346 Y362 K418 L420	C341-D344 VanDerWaalsContact O-CB 3.3Å; C341-D344 WeakPolarHBondContact O-CB 3.37Å; C341-D344 PolarHBondContact O-N 2.85Å; D344-F346 HydrophobicContact CB-CD2 4.26Å; D344-F346 HydrophobicContact CB-CE2 3.67Å; D344-F346 HydrophobicContact CB-CZ 4.2Å; D344-F346 PolarHBondContact O-N 2.84Å; D344-Y362 WeakPolarHBondContact OD2-CE1 3.41Å; D344-Y362 PolarHBondContact OD2-OH 3.27Å; D344-K418 IonicContact OD1-NZ 2.87Å; D344-K418 PolarHBondContact OD1-NZ 2.85Å; D344-K418 IonicContact OD2-NZ 3.17Å; D344-L420 HydrophobicContact CB-CD2 4.07Å
345	K	97.9	Very high	96.6	Very high	119 Å²	119	45.9 Å²	45.9	52%	0.517	24%	0.243	S	C	.	.			trans	-94.9	93.6	-178.8	-62.5	-176.2	-177	-178.6	0	110.1	F343	F343-K345 PolarHBondContact O-N 2.9Å
346	F	98.6	Very high	96.7	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	23%	0.229	C	C	.	.			trans	-77.4	137.4	175.7	-67.5	-87.5	0	0	0	111.1	S289 R303 Y305 D344 G360 Y362 I419 L420	S289-F346 PolarHBondContact OG-O 2.63Å; R303-F346 HydrophobicContact CG-CB 4.12Å; R303-F346 WeakPolarHBondContact CG-O 3.37Å; Y305-F346 HydrophobicContact CE2-CE2 4.19Å; D344-F346 HydrophobicContact CB-CD2 4.26Å; D344-F346 HydrophobicContact CB-CE2 3.67Å; D344-F346 HydrophobicContact CB-CZ 4.2Å; D344-F346 PolarHBondContact O-N 2.84Å; F346-G360 WeakPolarHBondContact CD1-O 3.45Å; F346-Y362 HydrophobicContact CE2-CE2 4.11Å; F346-Y362 AromaticContact CE2-CZ 3.96Å; F346-Y362 HydrophobicContact CZ-CD1 4.44Å; F346-Y362 HydrophobicContact CZ-CD2 4.27Å; F346-Y362 HydrophobicContact CZ-CE1 4.01Å; F346-Y362 AromaticContact CZ-CE2 3.82Å; F346-Y362 HydrophobicContact CZ-CE2 3.82Å; F346-Y362 AromaticContact CZ-CZ 3.67Å; F346-I419 WeakPolarHBondContact CD1-O 3.44Å; F346-I419 WeakPolarHBondContact CE1-O 3.38Å; F346-L420 HydrophobicContact CD1-CD2 3.83Å; F346-L420 HydrophobicContact CD2-CD2 4.46Å; F346-L420 HydrophobicContact CE1-CD2 3.74Å; F346-L420 HydrophobicContact CE2-CD2 4.38Å; F346-L420 HydrophobicContact CG-CD2 4.19Å; F346-L420 HydrophobicContact CZ-CD2 4.02Å
347	E	98.3	Very high	96.8	Very high	20 Å²	20	43.8 Å²	43.8	9%	0.093	23%	0.229	C	C	.	.			trans	-90.9	163.1	171.6	-65.3	174.1	177.9	0	0	111.8	K98 D290 S359 L420 H421	K98-E347 IonicContact NZ-OE1 2.89Å; K98-E347 PolarHBondContact NZ-OE1 3.13Å; D290-E347 WeakPolarHBondContact OD2-CA 3.3Å; E347-S359 PolarHBondContact O-OG 3.43Å; E347-L420 WeakPolarHBondContact CB-O 3.42Å; E347-L420 PolarHBondContact N-O 3.29Å; E347-H421 VanDerWaalsContact CD-ND1 3.31Å; E347-H421 IonicContact OE1-CE1 3.98Å; E347-H421 IonicContact OE1-ND1 2.77Å; E347-H421 PolarHBondContact OE1-ND1 3.16Å; E347-H421 IonicContact OE2-ND1 3.74Å; E347-H421 PolarHBondContact OE2-ND1 3.26Å
348	C	98.2	Very high	96.9	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152.1	174.9	58.5	0	0	0	0	110.9	D290 K292 M301 R303 M358	D290-C348 PolarHBondContact OD2-N 3.19Å; K292-C348 WeakPolarHBondContact CG-O 3.42Å; M301-C348 HydrophobicContact CE-CB 3.67Å; M301-C348 VanDerWaalsContact CE-SG 3.57Å; M301-C348 HydrophobicContact SD-CB 3.96Å; R303-C348 HydrophobicContact CB-CB 4.19Å; C348-M358 WeakPolarHBondContact CA-O 3.49Å
349	C	98	Very high	97	Very high	17 Å²	17	32.8 Å²	32.8	12%	0.115	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149.8	177.6	63.8	0	0	0	0	112.8	M358	C349-M358 PolarHBondContact N-O 3.34Å; C349-M358 PolarHBondContact O-N 2.89Å; C349-M358 WeakPolarHBondContact SG-CE 3.32Å
350	W	98.3	Very high	97.2	Very high	11 Å²	11	27.4 Å²	27.4	4%	0.042	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	150.1	172.8	-61.2	101.1	0	0	0	110.6	K292 F293 M301 V310 D354 I357 W424	K292-W350 PolarHBondContact O-NE1 2.97Å; F293-W350 VanDerWaalsContact O-CD1 3.24Å; F293-W350 PolarHBondContact O-NE1 2.83Å; M301-W350 HydrophobicContact CB-CH2 4.23Å; M301-W350 HydrophobicContact CB-CZ2 3.39Å; M301-W350 HydrophobicContact CE-CD2 4.16Å; M301-W350 HydrophobicContact CE-CG 4.15Å; V310-W350 HydrophobicContact CB-CH2 4.44Å; V310-W350 HydrophobicContact CG1-CH2 3.74Å; V310-W350 HydrophobicContact CG1-CZ2 4.45Å; V310-W350 HydrophobicContact CG2-CH2 3.86Å; V310-W350 HydrophobicContact CG2-CZ3 4.5Å; W350-D354 HydrophobicContact CE3-CB 4.15Å; W350-D354 HydrophobicContact CZ3-CB 4.45Å; W350-I357 HydrophobicContact CE3-CD1 4.38Å; W350-I357 HydrophobicContact CE3-CG1 3.81Å; W350-I357 HydrophobicContact CH2-CD1 4.28Å; W350-I357 HydrophobicContact CZ3-CD1 3.91Å; W350-I357 HydrophobicContact CZ3-CG1 3.84Å; W350-W424 WeakPolarHBondContact O-CB 3.48Å
351	N	96.6	Very high	97.3	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.027	13%	0.125	C	C	.	.			trans	-72.4	165.4	157.7	83.2	-32.7	0	0	0	110.6	H295 S353 D354 S355 A356 W424	H295-N351 PolarHBondContact CE1-O 3.44Å; H295-N351 PolarHBondContact ND1-O 2.92Å; N351-S353 PolarHBondContact ND2-OG 2.93Å; N351-S353 PolarHBondContact O-N 3Å; N351-D354 PolarHBondContact O-N 3.22Å; N351-D354 WeakPolarHBondContact OD1-CA 3.15Å; N351-D354 PolarHBondContact OD1-N 2.78Å; N351-D354 VanDerWaalsContact OD1-N 3.08Å; N351-S355 PolarHBondContact ND2-OG 3.27Å; N351-S355 VanDerWaalsContact ND2-OG 3.1Å; N351-S355 PolarHBondContact OD1-N 2.87Å; N351-A356 HydrophobicContact CB-CB 4.23Å; N351-A356 PolarHBondContact N-O 3.28Å; N351-A356 PolarHBondContact OD1-N 3.03Å; N351-A356 PolarHBondContact OD1-O 3.38Å; N351-W424 HydrophobicContact CB-CD2 3.56Å; N351-W424 HydrophobicContact CB-CE3 3.84Å; N351-W424 HydrophobicContact CB-CG 4.2Å; N351-W424 HydrophobicContact CB-CH2 3.63Å; N351-W424 HydrophobicContact CB-CZ2 3.35Å; N351-W424 HydrophobicContact CB-CZ3 3.87Å
352	G	92.6	Very high	97.3	Very high	28 Å²	28	21.6 Å²	21.6	29%	0.289	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.3	-175.9	0	0	0	0	0	116	P426	G352-P426 WeakPolarHBondContact CA-O 3.48Å
353	S	94.9	Very high	97.3	Very high	81 Å²	81	22.3 Å²	22.3	57%	0.566	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	8.5	179	61.2	0	0	0	0	114.3	N351 S355	N351-S353 PolarHBondContact ND2-OG 2.93Å; N351-S353 PolarHBondContact O-N 3Å; S353-S355 PolarHBondContact O-N 2.84Å; S353-S355 PolarHBondContact OG-OG 2.62Å
354	D	97.2	Very high	97.2	Very high	12 Å²	12	18.2 Å²	18.2	6%	0.064	11%	0.107	C	C	.	.	S	Bend	trans	56.6	14.8	-174.5	-56.5	-27.5	0	0	0	114.7	S294 H295 S296 W350 N351 R371	S294-D354 VanDerWaalsContact CB-OD2 3.3Å; S294-D354 WeakPolarHBondContact CB-OD2 3.26Å; H295-D354 WeakPolarHBondContact CB-OD1 3.24Å; H295-D354 IonicContact CE1-OD1 3Å; H295-D354 IonicContact CG-OD1 2.81Å; H295-D354 VanDerWaalsContact N-CG 3.34Å; H295-D354 PolarHBondContact N-OD1 2.8Å; H295-D354 PolarHBondContact N-OD2 3.12Å; H295-D354 VanDerWaalsContact N-OD2 3.13Å; H295-D354 IonicContact ND1-OD1 3.91Å; H295-D354 PolarHBondContact ND1-OD1 2.78Å; S296-D354 VanDerWaalsContact CB-OD2 3.31Å; S296-D354 WeakPolarHBondContact CB-OD2 3.39Å; S296-D354 PolarHBondContact N-OD2 2.82Å; S296-D354 PolarHBondContact OG-OD2 2.67Å; W350-D354 HydrophobicContact CE3-CB 4.15Å; W350-D354 HydrophobicContact CZ3-CB 4.45Å; N351-D354 PolarHBondContact O-N 3.22Å; N351-D354 WeakPolarHBondContact OD1-CA 3.15Å; N351-D354 PolarHBondContact OD1-N 2.78Å; N351-D354 VanDerWaalsContact OD1-N 3.08Å; D354-R371 VanDerWaalsContact O-CD 3.3Å; D354-R371 WeakPolarHBondContact O-CD 3.4Å; D354-R371 PolarHBondContact O-NH1 2.76Å
355	S	96.2	Very high	97.2	Very high	25 Å²	25	17.3 Å²	17.3	18%	0.175	10%	0.102	C	C	.	.	S	Bend	trans	-92.7	-17.1	-175.6	64.9	0	0	0	0	113.8	N351 S353 R371	N351-S355 PolarHBondContact ND2-OG 3.27Å; N351-S355 VanDerWaalsContact ND2-OG 3.1Å; N351-S355 PolarHBondContact OD1-N 2.87Å; S353-S355 PolarHBondContact O-N 2.84Å; S353-S355 PolarHBondContact OG-OG 2.62Å; S355-R371 WeakPolarHBondContact O-CB 3.44Å; S355-R371 PolarHBondContact O-N 2.87Å
356	A	96.9	Very high	97.2	Very high	2 Å²	2	11.6 Å²	11.6	2%	0.017	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.7	177.3	0	0	0	0	0	110.8	F10 N351 F369 W424	F10-A356 HydrophobicContact CE2-CB 4Å; F10-A356 HydrophobicContact CZ-CB 4.17Å; N351-A356 HydrophobicContact CB-CB 4.23Å; N351-A356 PolarHBondContact N-O 3.28Å; N351-A356 PolarHBondContact OD1-N 3.03Å; N351-A356 PolarHBondContact OD1-O 3.38Å; A356-F369 CarbonylContact C-O 3.54Å; A356-F369 VanDerWaalsContact CA-O 3.24Å; A356-F369 WeakPolarHBondContact CA-O 3.48Å; A356-W424 HydrophobicContact CB-CH2 3.69Å; A356-W424 HydrophobicContact CB-CZ3 4.16Å
357	I	97.9	Very high	97.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.8	-177.8	-69	166.6	0	0	0	108.5	M301 V308 V310 Y323 W350 M368 F369 R371	M301-I357 HydrophobicContact CE-CG2 4.26Å; M301-I357 HydrophobicContact SD-CB 4.16Å; M301-I357 HydrophobicContact SD-CD1 3.83Å; M301-I357 HydrophobicContact SD-CG1 3.78Å; M301-I357 HydrophobicContact SD-CG2 3.32Å; M301-I357 WeakPolarHBondContact SD-CG2 3.35Å; V308-I357 HydrophobicContact CG1-CG2 3.96Å; V310-I357 HydrophobicContact CG2-CD1 3.51Å; Y323-I357 HydrophobicContact CD2-CD1 4.32Å; Y323-I357 HydrophobicContact CE2-CD1 4.05Å; W350-I357 HydrophobicContact CE3-CD1 4.38Å; W350-I357 HydrophobicContact CE3-CG1 3.81Å; W350-I357 HydrophobicContact CH2-CD1 4.28Å; W350-I357 HydrophobicContact CZ3-CD1 3.91Å; W350-I357 HydrophobicContact CZ3-CG1 3.84Å; I357-M368 CarbonylContact O-C 3.52Å; I357-M368 VanDerWaalsContact O-CA 3.25Å; I357-M368 WeakPolarHBondContact O-CA 3.4Å; I357-F369 HydrophobicContact CB-CB 4.35Å; I357-F369 HydrophobicContact CG2-CD2 4.21Å; I357-F369 PolarHBondContact N-O 2.92Å; I357-F369 PolarHBondContact O-N 2.89Å; I357-R371 HydrophobicContact CD1-CG 4.08Å; I357-R371 HydrophobicContact CG1-CG 4.43Å
358	M	98.1	Very high	97.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.1	171	178.8	176.9	63.2	0	0	110.7	C348 C349 F366 R367 M368 T422 W424 I431 V433	C348-M358 WeakPolarHBondContact CA-O 3.49Å; C349-M358 PolarHBondContact N-O 3.34Å; C349-M358 PolarHBondContact O-N 2.89Å; C349-M358 WeakPolarHBondContact SG-CE 3.32Å; M358-F366 HydrophobicContact CG-CD2 4.38Å; M358-F366 HydrophobicContact SD-CD2 4.03Å; M358-F366 HydrophobicContact SD-CE2 4.48Å; M358-R367 WeakPolarHBondContact CA-O 3.29Å; M358-M368 HydrophobicContact CB-CG 4.48Å; M358-M368 HydrophobicContact CG-CG 4.34Å; M358-T422 HydrophobicContact CE-CG2 4.43Å; M358-W424 HydrophobicContact CB-CE3 3.8Å; M358-W424 HydrophobicContact CB-CZ3 3.83Å; M358-I431 HydrophobicContact CE-CB 4Å; M358-I431 HydrophobicContact CE-CG2 3.94Å; M358-I431 HydrophobicContact SD-CB 4.08Å; M358-I431 HydrophobicContact SD-CD1 3.79Å; M358-I431 HydrophobicContact SD-CG2 4.03Å; M358-V433 HydrophobicContact SD-CG2 4.39Å
359	S	98.4	Very high	97	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	154.6	170.1	-167.3	0	0	0	0	111.4	R303 E347 R367	R303-S359 PolarHBondContact NH1-OG 2.83Å; E347-S359 PolarHBondContact O-OG 3.43Å; S359-R367 PolarHBondContact N-O 3.28Å; S359-R367 PolarHBondContact O-N 3.38Å
360	G	98.3	Very high	96.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	170.5	-175.8	0	0	0	0	0	115.4	R303 F346 I419	R303-G360 PolarHBondContact NH1-O 3.48Å; F346-G360 WeakPolarHBondContact CD1-O 3.45Å; G360-I419 VanDerWaalsContact CA-O 3.3Å; G360-I419 WeakPolarHBondContact CA-O 3.27Å
361	S	98.3	Very high	96.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.082	C	C	.	.			trans	-153	-170.5	175.9	-169.5	0	0	0	0	109.5	H326 Y328 F365 I419	H326-S361 PolarHBondContact ND1-OG 3.33Å; Y328-S361 PolarHBondContact OH-OG 3.11Å; S361-F365 CarbonylContact C-O 3.54Å; S361-F365 WeakPolarHBondContact CA-O 3.47Å; S361-F365 PolarHBondContact N-O 3.03Å; S361-I419 PolarHBondContact O-N 2.91Å
362	Y	97.5	Very high	96.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-83.4	174.1	177.1	-61.2	-77.7	0	0	0	112.7	Y305 H326 L329 C341 D344 F346 N364 F365 F415 K417 K418	Y305-Y362 WeakPolarHBondContact CE2-OH 3.36Å; Y305-Y362 WeakPolarHBondContact OH-CE2 3.39Å; Y305-Y362 PolarHBondContact OH-OH 3.26Å; H326-Y362 AromaticContact CE1-CE2 3.93Å; L329-Y362 HydrophobicContact CD1-CD2 3.58Å; L329-Y362 HydrophobicContact CD1-CE2 3.79Å; C341-Y362 HydrophobicContact CB-CE1 4.35Å; C341-Y362 PolarHBondContact O-OH 3.21Å; D344-Y362 WeakPolarHBondContact OD2-CE1 3.41Å; D344-Y362 PolarHBondContact OD2-OH 3.27Å; F346-Y362 HydrophobicContact CE2-CE2 4.11Å; F346-Y362 AromaticContact CE2-CZ 3.96Å; F346-Y362 HydrophobicContact CZ-CD1 4.44Å; F346-Y362 HydrophobicContact CZ-CD2 4.27Å; F346-Y362 HydrophobicContact CZ-CE1 4.01Å; F346-Y362 AromaticContact CZ-CE2 3.82Å; F346-Y362 HydrophobicContact CZ-CE2 3.82Å; F346-Y362 AromaticContact CZ-CZ 3.67Å; Y362-N364 VanDerWaalsContact C-N 3.27Å; Y362-N364 PolarHBondContact O-N 2.92Å; Y362-F365 WeakPolarHBondContact O-CB 3.48Å; Y362-F365 WeakPolarHBondContact O-CD2 3.12Å; Y362-F365 WeakPolarHBondContact O-CG 3.39Å; Y362-F365 PolarHBondContact O-N 2.71Å; Y362-F415 HydrophobicContact CD1-CB 4.1Å; Y362-F415 AromaticContact CD1-CD1 3.71Å; Y362-F415 HydrophobicContact CD1-CD1 3.71Å; Y362-F415 HydrophobicContact CD1-CG 4.4Å; Y362-F415 WeakPolarHBondContact CD1-O 3.48Å; Y362-F415 AromaticContact CD2-CD1 3.86Å; Y362-F415 HydrophobicContact CD2-CD1 3.86Å; Y362-F415 HydrophobicContact CD2-CE1 4.11Å; Y362-F415 HydrophobicContact CE1-CB 4.4Å; Y362-F415 HydrophobicContact CE1-CD1 4.09Å; Y362-F415 HydrophobicContact CE2-CD1 4.23Å; Y362-F415 AromaticContact CG-CD1 3.56Å; Y362-F415 HydrophobicContact CG-CD1 3.56Å; Y362-F415 HydrophobicContact CG-CE1 4.16Å; Y362-K417 CarbonylContact C-O 3.6Å; Y362-K417 VanDerWaalsContact C-O 3.25Å; Y362-K417 WeakPolarHBondContact CA-O 3.28Å; Y362-K418 HydrophobicContact CD1-CB 4.01Å; Y362-K418 HydrophobicContact CE1-CB 4.2Å
363	N	96	Very high	96.6	Very high	20 Å²	20	21.2 Å²	21.2	11%	0.107	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	36.9	-175.7	-159.4	78.3	0	0	0	113.8	F365 L413 D414 K417	N363-F365 HydrophobicContact CB-CD2 4.21Å; N363-F365 HydrophobicContact CB-CE1 4.39Å; N363-F365 HydrophobicContact CB-CE2 4.02Å; N363-F365 HydrophobicContact CB-CG 4.46Å; N363-F365 HydrophobicContact CB-CZ 4.11Å; N363-F365 WeakPolarHBondContact ND2-CE1 3.47Å; N363-F365 WeakPolarHBondContact ND2-CZ 2.96Å; N363-F365 VanDerWaalsContact O-CD1 3.27Å; N363-F365 WeakPolarHBondContact O-CD1 3.49Å; N363-F365 WeakPolarHBondContact O-CE1 3.41Å; N363-F365 PolarHBondContact O-N 3.44Å; N363-F365 VanDerWaalsContact O-N 3.12Å; N363-L413 HydrophobicContact CB-CB 4.42Å; N363-L413 HydrophobicContact CB-CD2 3.8Å; N363-D414 WeakPolarHBondContact CA-O 3.35Å; N363-D414 PolarHBondContact N-O 2.88Å; N363-D414 PolarHBondContact OD1-N 2.9Å; N363-D414 VanDerWaalsContact OD1-N 3.11Å; N363-K417 CarbonylContact C-O 3.59Å; N363-K417 WeakPolarHBondContact CA-O 3.33Å; N363-K417 PolarHBondContact N-O 3.15Å
364	N	96.1	Very high	96.4	Very high	20 Å²	20	23.7 Å²	23.7	11%	0.107	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	24.1	-171.4	-69.8	-17.9	0	0	0	113.9	Y362 A381 K417 I419	Y362-N364 VanDerWaalsContact C-N 3.27Å; Y362-N364 PolarHBondContact O-N 2.92Å; N364-A381 HydrophobicContact CB-CB 4.39Å; N364-A381 VanDerWaalsContact CB-O 3.28Å; N364-A381 WeakPolarHBondContact CB-O 3.43Å; N364-A381 PolarHBondContact ND2-O 3.21Å; N364-A381 PolarHBondContact O-N 3.31Å; N364-K417 PolarHBondContact N-O 3.05Å; N364-K417 WeakPolarHBondContact OD1-CB 3.27Å; N364-I419 HydrophobicContact CB-CD1 4.17Å
365	F	97.6	Very high	96.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	146.5	177.1	-62.7	-22.1	0	0	0	111.8	S361 Y362 N363 T378 L379 E380 R395 V397 I408 L413 I419	S361-F365 CarbonylContact C-O 3.54Å; S361-F365 WeakPolarHBondContact CA-O 3.47Å; S361-F365 PolarHBondContact N-O 3.03Å; Y362-F365 WeakPolarHBondContact O-CB 3.48Å; Y362-F365 WeakPolarHBondContact O-CD2 3.12Å; Y362-F365 WeakPolarHBondContact O-CG 3.39Å; Y362-F365 PolarHBondContact O-N 2.71Å; N363-F365 HydrophobicContact CB-CD2 4.21Å; N363-F365 HydrophobicContact CB-CE1 4.39Å; N363-F365 HydrophobicContact CB-CE2 4.02Å; N363-F365 HydrophobicContact CB-CG 4.46Å; N363-F365 HydrophobicContact CB-CZ 4.11Å; N363-F365 WeakPolarHBondContact ND2-CE1 3.47Å; N363-F365 WeakPolarHBondContact ND2-CZ 2.96Å; N363-F365 VanDerWaalsContact O-CD1 3.27Å; N363-F365 WeakPolarHBondContact O-CD1 3.49Å; N363-F365 WeakPolarHBondContact O-CE1 3.41Å; N363-F365 PolarHBondContact O-N 3.44Å; N363-F365 VanDerWaalsContact O-N 3.12Å; F365-T378 HydrophobicContact CB-CG2 3.92Å; F365-T378 HydrophobicContact CD2-CG2 4.06Å; F365-T378 HydrophobicContact CG-CG2 3.94Å; F365-L379 VanDerWaalsContact CA-O 3.23Å; F365-L379 WeakPolarHBondContact CA-O 3.35Å; F365-E380 HydrophobicContact CD1-CB 3.82Å; F365-E380 HydrophobicContact CD1-CG 4.02Å; F365-E380 HydrophobicContact CE1-CB 3.9Å; F365-E380 HydrophobicContact CE1-CG 3.91Å; F365-R395 HydrophobicContact CE1-CB 4.18Å; F365-R395 HydrophobicContact CE1-CG 3.99Å; F365-R395 HydrophobicContact CZ-CB 4.26Å; F365-R395 HydrophobicContact CZ-CG 4.44Å; F365-V397 HydrophobicContact CD2-CG2 4.31Å; F365-V397 HydrophobicContact CE2-CG2 3.76Å; F365-I408 HydrophobicContact CE1-CD1 4.34Å; F365-I408 HydrophobicContact CZ-CD1 3.64Å; F365-L413 HydrophobicContact CE2-CD2 3.77Å; F365-L413 HydrophobicContact CZ-CD2 4.45Å; F365-I419 WeakPolarHBondContact O-CG1 3.4Å
366	F	97.7	Very high	96.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150.2	165	61.6	-81.8	0	0	0	109.1	M358 M368 L379 A381 L392 I431 V433 F442	M358-F366 HydrophobicContact CG-CD2 4.38Å; M358-F366 HydrophobicContact SD-CD2 4.03Å; M358-F366 HydrophobicContact SD-CE2 4.48Å; F366-M368 HydrophobicContact CD2-CG 4.28Å; F366-M368 HydrophobicContact CE2-CG 4.46Å; F366-M368 HydrophobicContact CE2-SD 4.18Å; F366-L379 HydrophobicContact CD1-CB 4.25Å; F366-L379 HydrophobicContact CD2-CB 4.18Å; F366-L379 HydrophobicContact CE1-CB 3.69Å; F366-L379 HydrophobicContact CE2-CB 3.63Å; F366-L379 HydrophobicContact CE2-CD1 3.68Å; F366-L379 HydrophobicContact CE2-CG 4.23Å; F366-L379 HydrophobicContact CG-CB 4.47Å; F366-L379 HydrophobicContact CZ-CB 3.36Å; F366-L379 HydrophobicContact CZ-CD1 3.86Å; F366-L379 HydrophobicContact CZ-CG 4.25Å; F366-L379 PolarHBondContact N-O 2.75Å; F366-L379 PolarHBondContact O-N 3.28Å; F366-A381 HydrophobicContact CE1-CB 4.47Å; F366-L392 HydrophobicContact CZ-CD1 4.07Å; F366-I431 HydrophobicContact CD2-CD1 4.46Å; F366-I431 HydrophobicContact CE2-CD1 3.64Å; F366-I431 HydrophobicContact CZ-CD1 4.16Å; F366-V433 HydrophobicContact CD1-CG1 4.22Å; F366-V433 HydrophobicContact CD1-CG2 4.41Å; F366-V433 HydrophobicContact CE1-CG2 4.45Å; F366-V433 HydrophobicContact CG-CG2 4.46Å; F366-F442 HydrophobicContact CE1-CD2 4.34Å; F366-F442 AromaticContact CE1-CE2 3.74Å; F366-F442 HydrophobicContact CE1-CE2 3.74Å; F366-F442 HydrophobicContact CE1-CZ 4.26Å; F366-F442 AromaticContact CZ-CD2 3.87Å; F366-F442 HydrophobicContact CZ-CD2 3.87Å; F366-F442 AromaticContact CZ-CE2 3.73Å; F366-F442 HydrophobicContact CZ-CE2 3.73Å; F366-F442 HydrophobicContact CZ-CZ 4.41Å
367	R	97.4	Very high	96	Very high	20 Å²	20	35 Å²	35	8%	0.075	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.9	-172.1	-64.6	-89.5	-73.9	143.3	0.2	108.2	Q324 V325 M358 S359 F369 D376 I377 T378	Q324-R367 PolarHBondContact O-NH2 3.26Å; V325-R367 HydrophobicContact CG1-CB 4.32Å; V325-R367 HydrophobicContact CG1-CG 3.79Å; V325-R367 WeakPolarHBondContact O-CD 3.47Å; V325-R367 PolarHBondContact O-NE 2.82Å; M358-R367 WeakPolarHBondContact CA-O 3.29Å; S359-R367 PolarHBondContact N-O 3.28Å; S359-R367 PolarHBondContact O-N 3.38Å; R367-F369 HydrophobicContact CB-CE2 3.69Å; R367-F369 HydrophobicContact CB-CZ 3.79Å; R367-F369 VanDerWaalsContact NH2-CE1 3.31Å; R367-D376 IonicContact CZ-OD2 3.76Å; R367-D376 VanDerWaalsContact CZ-OD2 3.28Å; R367-D376 IonicContact NH1-OD2 2.67Å; R367-D376 PolarHBondContact NH1-OD2 2.69Å; R367-D376 IonicContact NH2-OD2 3.9Å; R367-D376 PolarHBondContact NH2-OD2 3.5Å; R367-I377 WeakPolarHBondContact CA-O 3.25Å; R367-T378 WeakPolarHBondContact CD-OG1 3.42Å; R367-T378 PolarHBondContact NH1-OG1 3.48Å; R367-T378 VanDerWaalsContact NH1-OG1 3.14Å
368	M	96.8	Very high	95.9	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.034	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.7	173.3	-49.7	-175.9	69.2	0	0	109.7	W12 I357 M358 F366 D376 I377 L379 W424 I431	W12-M368 HydrophobicContact CD2-SD 4.38Å; W12-M368 VanDerWaalsContact CE2-CE 3.47Å; W12-M368 HydrophobicContact CG-SD 4.44Å; W12-M368 HydrophobicContact CH2-CE 4.28Å; W12-M368 HydrophobicContact CZ2-CE 3.3Å; W12-M368 HydrophobicContact CZ2-SD 4.12Å; W12-M368 PolarHBondContact NE1-SD 3.33Å; I357-M368 CarbonylContact O-C 3.52Å; I357-M368 VanDerWaalsContact O-CA 3.25Å; I357-M368 WeakPolarHBondContact O-CA 3.4Å; M358-M368 HydrophobicContact CB-CG 4.48Å; M358-M368 HydrophobicContact CG-CG 4.34Å; F366-M368 HydrophobicContact CD2-CG 4.28Å; F366-M368 HydrophobicContact CE2-CG 4.46Å; F366-M368 HydrophobicContact CE2-SD 4.18Å; M368-D376 CarbonylContact O-C 3.54Å; M368-D376 VanDerWaalsContact O-CA 3.22Å; M368-D376 WeakPolarHBondContact O-CA 3.07Å; M368-I377 HydrophobicContact CB-CG2 3.77Å; M368-I377 HydrophobicContact CG-CG2 4.32Å; M368-I377 PolarHBondContact N-O 2.88Å; M368-I377 PolarHBondContact O-N 3.04Å; M368-L379 HydrophobicContact SD-CD1 3.98Å; M368-W424 HydrophobicContact CE-CE3 4.36Å; M368-W424 HydrophobicContact CE-CH2 3.12Å; M368-W424 HydrophobicContact CE-CZ2 3.89Å; M368-W424 HydrophobicContact CE-CZ3 3.41Å; M368-W424 VanDerWaalsContact CE-CZ3 3.41Å; M368-I431 HydrophobicContact SD-CD1 4.42Å
369	F	97.1	Very high	95.7	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.1	-176.5	-54.6	-85.3	0	0	0	108.9	Y323 V325 A356 I357 R367 D376	Y323-F369 HydrophobicContact CD1-CB 3.73Å; Y323-F369 AromaticContact CD1-CD1 3.39Å; Y323-F369 HydrophobicContact CD1-CD1 3.39Å; Y323-F369 HydrophobicContact CD1-CE1 4.17Å; Y323-F369 AromaticContact CD1-CG 3.72Å; Y323-F369 HydrophobicContact CD1-CG 3.72Å; Y323-F369 HydrophobicContact CE1-CB 3.87Å; Y323-F369 HydrophobicContact CE1-CD1 4.26Å; Y323-F369 HydrophobicContact CE1-CG 4.37Å; Y323-F369 HydrophobicContact CG-CB 4.09Å; Y323-F369 AromaticContact CG-CD1 3.8Å; Y323-F369 HydrophobicContact CG-CD1 3.8Å; Y323-F369 HydrophobicContact CG-CD2 4.47Å; Y323-F369 HydrophobicContact CG-CE1 4.33Å; Y323-F369 AromaticContact CG-CG 3.87Å; Y323-F369 HydrophobicContact CG-CG 3.87Å; V325-F369 HydrophobicContact CG2-CE2 4.33Å; V325-F369 HydrophobicContact CG2-CZ 4.22Å; A356-F369 CarbonylContact C-O 3.54Å; A356-F369 VanDerWaalsContact CA-O 3.24Å; A356-F369 WeakPolarHBondContact CA-O 3.48Å; I357-F369 HydrophobicContact CB-CB 4.35Å; I357-F369 HydrophobicContact CG2-CD2 4.21Å; I357-F369 PolarHBondContact N-O 2.92Å; I357-F369 PolarHBondContact O-N 2.89Å; R367-F369 HydrophobicContact CB-CE2 3.69Å; R367-F369 HydrophobicContact CB-CZ 3.79Å; R367-F369 VanDerWaalsContact NH2-CE1 3.31Å; F369-D376 HydrophobicContact CD1-CB 3.51Å; F369-D376 HydrophobicContact CE1-CB 3.79Å; F369-D376 HydrophobicContact CG-CB 4.48Å
370	D	95.8	Very high	95.6	Very high	26 Å²	26	37.4 Å²	37.4	14%	0.139	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.2	171.1	-177.1	-66.5	0	0	0	109	N372 T373 R374 R375	D370-N372 WeakPolarHBondContact OD1-CA 3.37Å; D370-N372 PolarHBondContact OD1-N 3.45Å; D370-T373 VanDerWaalsContact CB-OG1 3.3Å; D370-T373 WeakPolarHBondContact CB-OG1 3.4Å; D370-T373 PolarHBondContact OD1-N 2.76Å; D370-T373 PolarHBondContact OD1-OG1 3.35Å; D370-R374 VanDerWaalsContact O-CA 3.23Å; D370-R374 WeakPolarHBondContact O-CA 3.47Å; D370-R374 PolarHBondContact O-N 2.87Å; D370-R375 PolarHBondContact N-O 2.78Å
371	R	95.1	Very high	95.4	Very high	27 Å²	27	37.4 Å²	37.4	10%	0.102	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-30.9	-174.7	-64.8	179.2	60.1	-151.4	-0.9	113.4	E321 Y323 D354 S355 I357 R374	E321-R371 IonicContact OE1-CZ 3.98Å; E321-R371 IonicContact OE1-NE 3.77Å; E321-R371 PolarHBondContact OE1-NE 2.83Å; E321-R371 IonicContact OE1-NH2 3.76Å; E321-R371 PolarHBondContact OE1-NH2 3.13Å; E321-R371 WeakPolarHBondContact OE2-CG 3.25Å; E321-R371 IonicContact OE2-CZ 3.43Å; E321-R371 IonicContact OE2-NE 3.25Å; E321-R371 PolarHBondContact OE2-NE 2.81Å; E321-R371 IonicContact OE2-NH2 2.76Å; Y323-R371 WeakPolarHBondContact OH-CA 3.36Å; D354-R371 VanDerWaalsContact O-CD 3.3Å; D354-R371 WeakPolarHBondContact O-CD 3.4Å; D354-R371 PolarHBondContact O-NH1 2.76Å; S355-R371 WeakPolarHBondContact O-CB 3.44Å; S355-R371 PolarHBondContact O-N 2.87Å; I357-R371 HydrophobicContact CD1-CG 4.08Å; I357-R371 HydrophobicContact CG1-CG 4.43Å; R371-R374 PolarHBondContact O-NE 3.14Å
372	N	93.6	Very high	94.9	Very high	129 Å²	129	38.3 Å²	38.3	69%	0.69	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-46.6	-176	-63.4	-35.6	0	0	0	111.2	D370	D370-N372 WeakPolarHBondContact OD1-CA 3.37Å; D370-N372 PolarHBondContact OD1-N 3.45Å
373	T	92.3	Very high	94	Very high	72 Å²	72	41.7 Å²	41.7	44%	0.442	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-14.3	-176.4	66.1	0	0	0	0	113	D370 R375	D370-T373 VanDerWaalsContact CB-OG1 3.3Å; D370-T373 WeakPolarHBondContact CB-OG1 3.4Å; D370-T373 PolarHBondContact OD1-N 2.76Å; D370-T373 PolarHBondContact OD1-OG1 3.35Å; T373-R375 PolarHBondContact O-N 2.87Å; T373-R375 VanDerWaalsContact O-N 3.17Å; T373-R375 PolarHBondContact OG1-N 2.78Å
374	R	90.3	Very high	92.8	Very high	133 Å²	133	50 Å²	50	50%	0.502	24%	0.235	S	C	.	.			trans	58.2	19.9	-173.4	-55.9	-63.4	-170.4	159.2	5.3	113.5	E321 Y323 D370 R371	E321-R374 VanDerWaalsContact CB-NH1 3.34Å; E321-R374 IonicContact OE2-NH1 3.68Å; Y323-R374 PolarHBondContact OH-NH1 2.82Å; D370-R374 VanDerWaalsContact O-CA 3.23Å; D370-R374 WeakPolarHBondContact O-CA 3.47Å; D370-R374 PolarHBondContact O-N 2.87Å; R371-R374 PolarHBondContact O-NE 3.14Å
375	R	92.3	Very high	91.2	Very high	138 Å²	138	51.3 Å²	51.3	52%	0.521	25%	0.245	S	C	.	.			trans	-84.6	146.7	173.9	-67.1	180	176.7	-172.7	-2.2	109.9	D9 D370 T373	D9-R375 VanDerWaalsContact CG-NH1 3.33Å; D9-R375 IonicContact OD1-CZ 2.73Å; D9-R375 IonicContact OD1-NH1 2.7Å; D9-R375 PolarHBondContact OD1-NH1 2.77Å; D9-R375 IonicContact OD2-NH1 3.71Å; D9-R375 PolarHBondContact OD2-NH1 3.06Å; D370-R375 PolarHBondContact N-O 2.78Å; T373-R375 PolarHBondContact O-N 2.87Å; T373-R375 VanDerWaalsContact O-N 3.17Å; T373-R375 PolarHBondContact OG1-N 2.78Å
376	D	93.9	Very high	89.7	Confident	90 Å²	90	52.2 Å²	52.2	48%	0.481	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.2	175.5	64.7	-71.5	0	0	0	111.4	R367 M368 F369	R367-D376 IonicContact CZ-OD2 3.76Å; R367-D376 VanDerWaalsContact CZ-OD2 3.28Å; R367-D376 IonicContact NH1-OD2 2.67Å; R367-D376 PolarHBondContact NH1-OD2 2.69Å; R367-D376 IonicContact NH2-OD2 3.9Å; R367-D376 PolarHBondContact NH2-OD2 3.5Å; M368-D376 CarbonylContact O-C 3.54Å; M368-D376 VanDerWaalsContact O-CA 3.22Å; M368-D376 WeakPolarHBondContact O-CA 3.07Å; F369-D376 HydrophobicContact CD1-CB 3.51Å; F369-D376 HydrophobicContact CE1-CB 3.79Å; F369-D376 HydrophobicContact CG-CB 4.48Å
377	I	94.9	Very high	88.8	Confident	50 Å²	50	60.3 Å²	60.3	26%	0.256	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.7	178.4	-172.7	170.3	0	0	0	109.5	R367 M368 L379 P394	R367-I377 WeakPolarHBondContact CA-O 3.25Å; M368-I377 HydrophobicContact CB-CG2 3.77Å; M368-I377 HydrophobicContact CG-CG2 4.32Å; M368-I377 PolarHBondContact N-O 2.88Å; M368-I377 PolarHBondContact O-N 3.04Å; I377-L379 HydrophobicContact CD1-CD2 3.66Å; I377-L379 HydrophobicContact CD1-CG 4.2Å; I377-L379 HydrophobicContact CG1-CD2 3.9Å; I377-L379 HydrophobicContact CG1-CG 4.1Å; I377-P394 HydrophobicContact CD1-CB 4.12Å; I377-P394 HydrophobicContact CD1-CG 3.74Å; I377-P394 HydrophobicContact CG1-CB 4.02Å; I377-P394 HydrophobicContact CG1-CG 4.2Å
378	T	95.8	Very high	87.7	Confident	16 Å²	16	64.4 Å²	64.4	10%	0.098	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.2	171	-52.8	0	0	0	0	108.3	F365 R367 P394 R395	F365-T378 HydrophobicContact CB-CG2 3.92Å; F365-T378 HydrophobicContact CD2-CG2 4.06Å; F365-T378 HydrophobicContact CG-CG2 3.94Å; R367-T378 WeakPolarHBondContact CD-OG1 3.42Å; R367-T378 PolarHBondContact NH1-OG1 3.48Å; R367-T378 VanDerWaalsContact NH1-OG1 3.14Å; T378-P394 CarbonylContact O-C 3.59Å; T378-P394 WeakPolarHBondContact O-CA 3.46Å; T378-R395 WeakPolarHBondContact CB-O 3.45Å; T378-R395 HydrophobicContact CG2-CB 4.45Å; T378-R395 PolarHBondContact O-N 3.37Å
379	L	95.2	Very high	86.8	Confident	2 Å²	2	71 Å²	71	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	164.7	179.9	-63.6	177	0	0	0	109.6	W12 F365 F366 M368 I377 L392	W12-L379 HydrophobicContact CB-CD1 4.09Å; W12-L379 HydrophobicContact CG-CD1 3.98Å; F365-L379 VanDerWaalsContact CA-O 3.23Å; F365-L379 WeakPolarHBondContact CA-O 3.35Å; F366-L379 HydrophobicContact CD1-CB 4.25Å; F366-L379 HydrophobicContact CD2-CB 4.18Å; F366-L379 HydrophobicContact CE1-CB 3.69Å; F366-L379 HydrophobicContact CE2-CB 3.63Å; F366-L379 HydrophobicContact CE2-CD1 3.68Å; F366-L379 HydrophobicContact CE2-CG 4.23Å; F366-L379 HydrophobicContact CG-CB 4.47Å; F366-L379 HydrophobicContact CZ-CB 3.36Å; F366-L379 HydrophobicContact CZ-CD1 3.86Å; F366-L379 HydrophobicContact CZ-CG 4.25Å; F366-L379 PolarHBondContact N-O 2.75Å; F366-L379 PolarHBondContact O-N 3.28Å; M368-L379 HydrophobicContact SD-CD1 3.98Å; I377-L379 HydrophobicContact CD1-CD2 3.66Å; I377-L379 HydrophobicContact CD1-CG 4.2Å; I377-L379 HydrophobicContact CG1-CD2 3.9Å; I377-L379 HydrophobicContact CG1-CG 4.1Å; L379-L392 HydrophobicContact CB-CD1 4.3Å; L379-L392 HydrophobicContact CD1-CD1 4.03Å; L379-L392 HydrophobicContact CD2-CB 3.85Å; L379-L392 HydrophobicContact CD2-CD1 4.46Å
380	E	95	Very high	86.3	Confident	32 Å²	32	72.3 Å²	72.3	15%	0.15	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.6	-174.7	179.6	-178.1	-153.8	0	0	110.5	F365 R395	F365-E380 HydrophobicContact CD1-CB 3.82Å; F365-E380 HydrophobicContact CD1-CG 4.02Å; F365-E380 HydrophobicContact CE1-CB 3.9Å; F365-E380 HydrophobicContact CE1-CG 3.91Å; E380-R395 HydrophobicContact CB-CG 4.02Å; E380-R395 IonicContact OE2-CZ 3.44Å; E380-R395 IonicContact OE2-NE 2.95Å; E380-R395 PolarHBondContact OE2-NE 3.05Å; E380-R395 IonicContact OE2-NH2 2.65Å; E380-R395 PolarHBondContact OE2-NH2 3.32Å
381	A	93.8	Very high	85.9	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.363	C	S	.	.			trans	-90.6	96.8	170.5	0	0	0	0	0	110.1	N364 F366 I419 V433 Y440 F442	N364-A381 HydrophobicContact CB-CB 4.39Å; N364-A381 VanDerWaalsContact CB-O 3.28Å; N364-A381 WeakPolarHBondContact CB-O 3.43Å; N364-A381 PolarHBondContact ND2-O 3.21Å; N364-A381 PolarHBondContact O-N 3.31Å; F366-A381 HydrophobicContact CE1-CB 4.47Å; A381-I419 HydrophobicContact CB-CD1 4.39Å; A381-V433 HydrophobicContact CB-CG1 4.2Å; A381-Y440 HydrophobicContact CB-CD1 4.31Å; A381-Y440 HydrophobicContact CB-CD2 3.85Å; A381-Y440 HydrophobicContact CB-CE1 4.47Å; A381-Y440 HydrophobicContact CB-CE2 4.02Å; A381-Y440 HydrophobicContact CB-CG 4Å; A381-F442 HydrophobicContact CB-CE2 4.44Å; A381-F442 HydrophobicContact CB-CZ 4.19Å
382	S	88.3	Confident	85.6	Confident	18 Å²	18	73.4 Å²	73.4	13%	0.126	36%	0.362	C	S	.	.			trans	-142.4	125.7	-178.8	169.2	0	0	0	0	112.8	E384 S385 S386	S382-E384 PolarHBondContact O-N 3.08Å; S382-E384 PolarHBondContact OG-N 3.35Å; S382-S385 PolarHBondContact O-N 2.92Å; S382-S385 VanDerWaalsContact O-N 3.16Å; S382-S385 PolarHBondContact O-OG 3.24Å; S382-S386 VanDerWaalsContact C-OG 3.32Å; S382-S386 PolarHBondContact O-N 2.79Å; S382-S386 PolarHBondContact O-OG 3.39Å
383	R	79.1	Confident	85.4	Confident	72 Å²	72	75.1 Å²	75.1	27%	0.272	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-55.3	-35	174.6	-76.5	-179.2	-178.2	-97.9	5	113.1	V17 G19 A20 S385 S386 N438 Y440	V17-R383 VanDerWaalsContact CG1-NH1 3.31Å; V17-R383 HydrophobicContact CG2-CG 4.42Å; G19-R383 VanDerWaalsContact C-NH2 3.27Å; G19-R383 PolarHBondContact O-NH2 3.14Å; A20-R383 PolarHBondContact O-NH2 2.76Å; R383-S385 PolarHBondContact O-N 2.82Å; R383-S386 WeakPolarHBondContact CA-OG 3.22Å; R383-S386 VanDerWaalsContact O-CB 3.25Å; R383-S386 WeakPolarHBondContact O-CB 3.26Å; R383-S386 PolarHBondContact O-N 3.26Å; R383-N438 PolarHBondContact NE-OD1 3.2Å; R383-N438 PolarHBondContact NH2-OD1 3.06Å; R383-Y440 HydrophobicContact CG-CE1 4.33Å; R383-Y440 PolarHBondContact N-OH 2.9Å
384	E	70.6	Confident	85.4	Confident	193 Å²	193	75.6 Å²	75.6	90%	0.902	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-64.2	-25.2	-178	-63.1	172.5	-177.6	0	0	112.9	S382	S382-E384 PolarHBondContact O-N 3.08Å; S382-E384 PolarHBondContact OG-N 3.35Å
385	S	62.6	Low	85.4	Confident	48 Å²	48	72.8 Å²	72.8	34%	0.336	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-102.9	6.2	176.9	61.7	0	0	0	0	113.6	S382 R383 K387	S382-S385 PolarHBondContact O-N 2.92Å; S382-S385 VanDerWaalsContact O-N 3.16Å; S382-S385 PolarHBondContact O-OG 3.24Å; R383-S385 PolarHBondContact O-N 2.82Å; S385-K387 PolarHBondContact O-N 3.04Å
386	S	67.3	Low	85.3	Confident	20 Å²	20	72.8 Å²	72.8	14%	0.14	36%	0.361	C	S	.	.			trans	-96.4	55.1	-168.8	-63	0	0	0	0	113.9	F14 S382 R383	F14-S386 WeakPolarHBondContact CD2-OG 3.32Å; F14-S386 WeakPolarHBondContact CE1-O 3.31Å; F14-S386 WeakPolarHBondContact CE2-OG 3.36Å; S382-S386 VanDerWaalsContact C-OG 3.32Å; S382-S386 PolarHBondContact O-N 2.79Å; S382-S386 PolarHBondContact O-OG 3.39Å; R383-S386 WeakPolarHBondContact CA-OG 3.22Å; R383-S386 VanDerWaalsContact O-CB 3.25Å; R383-S386 WeakPolarHBondContact O-CB 3.26Å; R383-S386 PolarHBondContact O-N 3.26Å
387	K	77.1	Confident	85.2	Confident	169 Å²	169	70 Å²	70	74%	0.735	35%	0.347	S	S	*	.			trans	-70	136.7	163.5	-69.6	-176.3	-178.1	-178.2	0	108.3	S385 R389 A390	S385-K387 PolarHBondContact O-N 3.04Å; K387-R389 PolarHBondContact O-N 3.38Å; K387-A390 HydrophobicContact CB-CB 4.06Å; K387-A390 WeakPolarHBondContact O-CB 3.36Å; K387-A390 PolarHBondContact O-N 2.67Å
388	P	75.8	Confident	84.8	Confident	106 Å²	106	68.1 Å²	68.1	69%	0.688	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	127.9	176.8	-28.8	35.2	0	0	0	111.3	A390	P388-A390 PolarHBondContact O-N 2.77Å
389	R	77.8	Confident	84.1	Confident	147 Å²	147	72.7 Å²	72.7	56%	0.555	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	10.1	-176.8	-51.3	174.9	177.2	-177.4	-6.8	116.1	C13 F14 K387 T391	C13-R389 PolarHBondContact SG-O 2.94Å; C13-R389 VanDerWaalsContact SG-O 3.35Å; F14-R389 VanDerWaalsContact O-CA 3.26Å; F14-R389 WeakPolarHBondContact O-CA 3.32Å; F14-R389 PolarHBondContact O-N 3.47Å; K387-R389 PolarHBondContact O-N 3.38Å; R389-T391 PolarHBondContact O-N 3.11Å
390	A	85.1	Confident	82.9	Confident	31 Å²	31	74.8 Å²	74.8	26%	0.256	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-63.5	127.6	172.7	0	0	0	0	0	110	C13 F14 K387 P388 L392	C13-A390 VanDerWaalsContact CA-O 3.3Å; C13-A390 WeakPolarHBondContact CA-O 3.35Å; F14-A390 PolarHBondContact N-O 3.1Å; K387-A390 HydrophobicContact CB-CB 4.06Å; K387-A390 WeakPolarHBondContact O-CB 3.36Å; K387-A390 PolarHBondContact O-N 2.67Å; P388-A390 PolarHBondContact O-N 2.77Å; A390-L392 PolarHBondContact O-N 2.89Å
391	T	87.9	Confident	81.4	Confident	59 Å²	59	77.6 Å²	77.6	36%	0.362	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-65.8	129.5	171.6	-59.7	0	0	0	0	109.6	Q11 W12 C13 R389	Q11-T391 HydrophobicContact CG-CG2 3.48Å; Q11-T391 VanDerWaalsContact CG-CG2 3.48Å; Q11-T391 PolarHBondContact NE2-OG1 3.14Å; W12-T391 WeakPolarHBondContact O-CA 3.38Å; C13-T391 PolarHBondContact SG-OG1 3.22Å; R389-T391 PolarHBondContact O-N 3.11Å
392	L	89.9	Confident	79.9	Confident	17 Å²	17	87 Å²	87	9%	0.089	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-67.5	137.7	174.1	-61	-179.1	0	0	0	110.2	W12 F366 L379 A390 F442	W12-L392 HydrophobicContact CB-CD1 3.96Å; W12-L392 HydrophobicContact CB-CG 4.4Å; W12-L392 PolarHBondContact O-N 3.17Å; F366-L392 HydrophobicContact CZ-CD1 4.07Å; L379-L392 HydrophobicContact CB-CD1 4.3Å; L379-L392 HydrophobicContact CD1-CD1 4.03Å; L379-L392 HydrophobicContact CD2-CB 3.85Å; L379-L392 HydrophobicContact CD2-CD1 4.46Å; A390-L392 PolarHBondContact O-N 2.89Å; L392-F442 HydrophobicContact CD1-CD1 3.6Å; L392-F442 HydrophobicContact CD1-CE1 3.75Å; L392-F442 HydrophobicContact CD1-CG 4.03Å; L392-F442 HydrophobicContact CD1-CZ 4.28Å; L392-F442 HydrophobicContact CD2-CD1 4.24Å; L392-F442 HydrophobicContact CD2-CE1 3.88Å; L392-F442 HydrophobicContact CG-CD1 4.2Å; L392-F442 HydrophobicContact CG-CE1 4.28Å
393	K	89.1	Confident	78.8	Confident	164 Å²	164	94.4 Å²	94.4	71%	0.713	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-95.8	133.8	176.1	-67.1	-175.4	-179.7	-179.9	0	109.5	R395	K393-R395 PolarHBondContact O-N 2.92Å
394	P	90.9	Very high	78.6	Confident	83 Å²	83	97.7 Å²	97.7	54%	0.539	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-53.8	134.9	171.7	-19.9	25.6	0	0	0	111.6	I377 T378	I377-P394 HydrophobicContact CD1-CB 4.12Å; I377-P394 HydrophobicContact CD1-CG 3.74Å; I377-P394 HydrophobicContact CG1-CB 4.02Å; I377-P394 HydrophobicContact CG1-CG 4.2Å; T378-P394 CarbonylContact O-C 3.59Å; T378-P394 WeakPolarHBondContact O-CA 3.46Å
395	R	91.9	Very high	78.5	Confident	73 Å²	73	98 Å²	98	28%	0.275	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-99.2	148.5	170.5	-62.8	-55.7	-166.7	-179.8	3.1	110.3	F365 T378 E380 K393	F365-R395 HydrophobicContact CE1-CB 4.18Å; F365-R395 HydrophobicContact CE1-CG 3.99Å; F365-R395 HydrophobicContact CZ-CB 4.26Å; F365-R395 HydrophobicContact CZ-CG 4.44Å; T378-R395 WeakPolarHBondContact CB-O 3.45Å; T378-R395 HydrophobicContact CG2-CB 4.45Å; T378-R395 PolarHBondContact O-N 3.37Å; E380-R395 HydrophobicContact CB-CG 4.02Å; E380-R395 IonicContact OE2-CZ 3.44Å; E380-R395 IonicContact OE2-NE 2.95Å; E380-R395 PolarHBondContact OE2-NE 3.05Å; E380-R395 IonicContact OE2-NH2 2.65Å; E380-R395 PolarHBondContact OE2-NH2 3.32Å; K393-R395 PolarHBondContact O-N 2.92Å
396	K	90	Very high	79.1	Confident	139 Å²	139	101.7 Å²	101.7	60%	0.604	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	134.3	175.3	-73.8	-174.5	-179.4	-176	0	109.6	E407 I408	K396-E407 HydrophobicContact CB-CG 3.86Å; K396-E407 WeakPolarHBondContact O-CA 3.47Å; K396-I408 PolarHBondContact O-N 3.32Å
397	V	90.4	Very high	80	Confident	30 Å²	30	102.2 Å²	102.2	18%	0.182	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.4	177.3	-175.7	0	0	0	0	108.7	Y328 F365 I408 V410 L413	Y328-V397 HydrophobicContact CD1-CB 3.97Å; Y328-V397 HydrophobicContact CD1-CG1 4.14Å; Y328-V397 HydrophobicContact CD1-CG2 4.48Å; Y328-V397 HydrophobicContact CD2-CB 4.45Å; Y328-V397 HydrophobicContact CD2-CG1 3.81Å; Y328-V397 HydrophobicContact CE1-CB 3.93Å; Y328-V397 HydrophobicContact CE1-CG1 4.32Å; Y328-V397 HydrophobicContact CE1-CG2 3.93Å; Y328-V397 HydrophobicContact CE2-CB 4.43Å; Y328-V397 HydrophobicContact CE2-CG1 4.01Å; Y328-V397 HydrophobicContact CE2-CG2 4.34Å; Y328-V397 HydrophobicContact CG-CB 4.24Å; Y328-V397 HydrophobicContact CG-CG1 3.89Å; F365-V397 HydrophobicContact CD2-CG2 4.31Å; F365-V397 HydrophobicContact CE2-CG2 3.76Å; V397-I408 CarbonylContact C-O 3.58Å; V397-I408 VanDerWaalsContact CA-O 3.29Å; V397-I408 WeakPolarHBondContact CA-O 3.46Å; V397-V410 HydrophobicContact CG1-CB 4.4Å; V397-V410 HydrophobicContact CG1-CG2 3.49Å; V397-V410 VanDerWaalsContact CG1-CG2 3.49Å; V397-L413 HydrophobicContact CG1-CD1 4.24Å; V397-L413 HydrophobicContact CG2-CD2 4.38Å
398	S	86.3	Confident	80.6	Confident	12 Å²	12	95.5 Å²	95.5	8%	0.084	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.9	-179.9	62.3	0	0	0	0	110.9	I408 V410	S398-I408 PolarHBondContact N-O 2.78Å; S398-I408 PolarHBondContact OG-O 2.81Å; S398-V410 PolarHBondContact O-N 3.1Å
399	T	81.1	Confident	81.3	Confident	112 Å²	112	91.8 Å²	91.8	69%	0.687	47%	0.472	S	S	*	.			trans	-91.8	-3.3	177.5	50.6	0	0	0	0	113.8	V410	T399-V410 HydrophobicContact CG2-CG2 3.77Å
400	G	71	Confident	82	Confident	46 Å²	46	85.1 Å²	85.1	47%	0.474	45%	0.447	S	S	.	.	S	Bend	trans	-122.3	162.1	-173.6	0	0	0	0	0	114.4	K402	G400-K402 VanDerWaalsContact C-N 3.32Å; G400-K402 PolarHBondContact O-N 3.18Å
401	G	63.4	Low	82.2	Confident	90 Å²	90	89.2 Å²	89.2	93%	0.928	47%	0.465	S	S	*	.	S	Bend	trans	-70.7	-11.1	-171.4	0	0	0	0	0	117.2	R403	G401-R403 PolarHBondContact O-N 3.44Å
402	K	62.5	Low	82.4	Confident	197 Å²	197	90.2 Å²	90.2	86%	0.857	47%	0.474	S	S	*	.			trans	-95.5	90.5	174.5	-76.4	-170.6	179.9	180	0	110.4	G400	G400-K402 VanDerWaalsContact C-N 3.32Å; G400-K402 PolarHBondContact O-N 3.18Å
403	R	65.3	Low	82.5	Confident	175 Å²	175	90 Å²	90	66%	0.66	47%	0.473	S	S	*	.			trans	-69.9	127.5	176.6	-175.6	175.3	-178.8	-170.5	-0.9	111.4	G401 E407	G401-R403 PolarHBondContact O-N 3.44Å; R403-E407 PolarHBondContact NE-O 2.84Å; R403-E407 PolarHBondContact NH2-O 3.28Å
404	K	75	Confident	82.8	Confident	141 Å²	141	84.6 Å²	84.6	61%	0.613	45%	0.452	S	S	*	.			trans	-82.4	159.7	164.6	-65.1	-176.8	-169.9	157.9	0	110.8	D406 E407	K404-D406 PolarHBondContact O-N 3.46Å; K404-E407 HydrophobicContact CB-CG 4.12Å; K404-E407 WeakPolarHBondContact CD-OE1 3.29Å; K404-E407 IonicContact NZ-OE1 3.53Å; K404-E407 PolarHBondContact O-N 3.06Å; K404-E407 VanDerWaalsContact O-N 3.12Å
405	K	67.7	Low	83	Confident	198 Å²	198	83 Å²	83	86%	0.861	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-15.9	-169.6	-169.1	172.3	174.4	-179.5	0	115.7
406	D	76.1	Confident	83	Confident	127 Å²	127	86 Å²	86	68%	0.679	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	15	-178.9	-60.1	-64.7	0	0	0	113.6	K404	K404-D406 PolarHBondContact O-N 3.46Å
407	E	86.4	Confident	83.2	Confident	30 Å²	30	84 Å²	84	14%	0.14	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	146.1	177.7	-72.8	174.8	-177.4	0	0	111.4	K396 R403 K404	K396-E407 HydrophobicContact CB-CG 3.86Å; K396-E407 WeakPolarHBondContact O-CA 3.47Å; R403-E407 PolarHBondContact NE-O 2.84Å; R403-E407 PolarHBondContact NH2-O 3.28Å; K404-E407 HydrophobicContact CB-CG 4.12Å; K404-E407 WeakPolarHBondContact CD-OE1 3.29Å; K404-E407 IonicContact NZ-OE1 3.53Å; K404-E407 PolarHBondContact O-N 3.06Å; K404-E407 VanDerWaalsContact O-N 3.12Å
408	I	88.9	Confident	83.5	Confident	29 Å²	29	86 Å²	86	15%	0.149	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.5	177.2	-63.5	166.1	0	0	0	108.1	F365 K396 V397 S398 L413	F365-I408 HydrophobicContact CE1-CD1 4.34Å; F365-I408 HydrophobicContact CZ-CD1 3.64Å; K396-I408 PolarHBondContact O-N 3.32Å; V397-I408 CarbonylContact C-O 3.58Å; V397-I408 VanDerWaalsContact CA-O 3.29Å; V397-I408 WeakPolarHBondContact CA-O 3.46Å; S398-I408 PolarHBondContact N-O 2.78Å; S398-I408 PolarHBondContact OG-O 2.81Å; I408-L413 HydrophobicContact CG2-CD2 3.96Å
409	S	90.8	Very high	84.1	Confident	28 Å²	28	85.4 Å²	85.4	20%	0.196	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	144.2	176.9	-173.4	0	0	0	0	110.5	D411 S412	S409-D411 PolarHBondContact O-N 3Å; S409-D411 PolarHBondContact OG-N 2.94Å; S409-S412 PolarHBondContact O-N 3.26Å
410	V	91.4	Very high	84.9	Confident	7 Å²	7	81.5 Å²	81.5	4%	0.042	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-54.7	-38.2	170.7	177.3	0	0	0	0	111.3	Y328 L329 K332 V397 S398 T399 S412 L413	Y328-V410 HydrophobicContact CD2-CG1 4.49Å; Y328-V410 HydrophobicContact CD2-CG2 4Å; Y328-V410 HydrophobicContact CG-CG2 4.23Å; L329-V410 HydrophobicContact CD2-CG1 4.28Å; K332-V410 HydrophobicContact CG-CG1 4.06Å; V397-V410 HydrophobicContact CG1-CB 4.4Å; V397-V410 HydrophobicContact CG1-CG2 3.49Å; V397-V410 VanDerWaalsContact CG1-CG2 3.49Å; S398-V410 PolarHBondContact O-N 3.1Å; T399-V410 HydrophobicContact CG2-CG2 3.77Å; V410-S412 PolarHBondContact O-N 3.01Å; V410-L413 HydrophobicContact CG1-CD1 4.41Å; V410-L413 WeakPolarHBondContact O-CG 3.32Å; V410-L413 PolarHBondContact O-N 2.87Å
411	D	89.4	Confident	86.2	Confident	117 Å²	117	80.7 Å²	80.7	63%	0.626	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-71.7	-8.8	179.9	-57.4	-49.4	0	0	0	113.5	K332 S409	K332-D411 VanDerWaalsContact CE-OD1 3.24Å; K332-D411 WeakPolarHBondContact CE-OD1 3.33Å; K332-D411 IonicContact NZ-OD1 3.11Å; K332-D411 PolarHBondContact NZ-OD1 3.39Å; S409-D411 PolarHBondContact O-N 3Å; S409-D411 PolarHBondContact OG-N 2.94Å
412	S	92.1	Very high	87.9	Confident	79 Å²	79	76.7 Å²	76.7	55%	0.552	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-106.3	7	178.9	-53.8	0	0	0	0	112.8	S409 V410	S409-S412 PolarHBondContact O-N 3.26Å; V410-S412 PolarHBondContact O-N 3.01Å
413	L	93.9	Very high	89.6	Confident	13 Å²	13	67.6 Å²	67.6	7%	0.068	33%	0.329	C	S	.	.			trans	-74	134.5	177.3	-63.2	176.2	0	0	0	110.4	Y328 L329 N363 F365 V397 I408 V410 F415	Y328-L413 HydrophobicContact CD2-CD1 4.07Å; Y328-L413 HydrophobicContact CE2-CD1 3.52Å; L329-L413 HydrophobicContact CD2-CD1 4.08Å; N363-L413 HydrophobicContact CB-CB 4.42Å; N363-L413 HydrophobicContact CB-CD2 3.8Å; F365-L413 HydrophobicContact CE2-CD2 3.77Å; F365-L413 HydrophobicContact CZ-CD2 4.45Å; V397-L413 HydrophobicContact CG1-CD1 4.24Å; V397-L413 HydrophobicContact CG2-CD2 4.38Å; I408-L413 HydrophobicContact CG2-CD2 3.96Å; V410-L413 HydrophobicContact CG1-CD1 4.41Å; V410-L413 WeakPolarHBondContact O-CG 3.32Å; V410-L413 PolarHBondContact O-N 2.87Å; L413-F415 HydrophobicContact CB-CZ 4.26Å
414	D	93.9	Very high	91.1	Very high	51 Å²	51	60 Å²	60	27%	0.273	30%	0.301	S	S	.	.			trans	-88.6	110.3	171.6	-173.8	-12.5	0	0	0	110.1	N363 N416 K417	N363-D414 WeakPolarHBondContact CA-O 3.35Å; N363-D414 PolarHBondContact N-O 2.88Å; N363-D414 PolarHBondContact OD1-N 2.9Å; N363-D414 VanDerWaalsContact OD1-N 3.11Å; D414-N416 VanDerWaalsContact C-N 3.34Å; D414-N416 WeakPolarHBondContact OD1-CB 3.46Å; D414-N416 PolarHBondContact OD1-N 3.37Å; D414-K417 HydrophobicContact CB-CB 4.24Å; D414-K417 HydrophobicContact CB-CD 4.09Å; D414-K417 HydrophobicContact CB-CG 4.31Å; D414-K417 PolarHBondContact O-N 2.86Å; D414-K417 VanDerWaalsContact OD2-CD 3.24Å; D414-K417 WeakPolarHBondContact OD2-CD 3.04Å; D414-K417 WeakPolarHBondContact OD2-CE 3.42Å; D414-K417 WeakPolarHBondContact OD2-CG 3.49Å; D414-K417 IonicContact OD2-NZ 3.02Å
415	F	95	Very high	92.2	Very high	48 Å²	48	53.8 Å²	53.8	21%	0.211	27%	0.274	C	S	.	.	S	Bend	trans	-78.7	-15.2	-179.5	-63.6	-74.2	0	0	0	113.6	L329 L336 Y362 L413 K417	L329-F415 HydrophobicContact CD1-CE1 4.38Å; L329-F415 HydrophobicContact CD2-CE1 3.74Å; L329-F415 HydrophobicContact CD2-CZ 3.97Å; L336-F415 HydrophobicContact CD2-CD1 3.68Å; L336-F415 HydrophobicContact CD2-CE1 3.58Å; L336-F415 HydrophobicContact CD2-CG 4.26Å; L336-F415 HydrophobicContact CD2-CZ 4.07Å; Y362-F415 HydrophobicContact CD1-CB 4.1Å; Y362-F415 AromaticContact CD1-CD1 3.71Å; Y362-F415 HydrophobicContact CD1-CD1 3.71Å; Y362-F415 HydrophobicContact CD1-CG 4.4Å; Y362-F415 WeakPolarHBondContact CD1-O 3.48Å; Y362-F415 AromaticContact CD2-CD1 3.86Å; Y362-F415 HydrophobicContact CD2-CD1 3.86Å; Y362-F415 HydrophobicContact CD2-CE1 4.11Å; Y362-F415 HydrophobicContact CE1-CB 4.4Å; Y362-F415 HydrophobicContact CE1-CD1 4.09Å; Y362-F415 HydrophobicContact CE2-CD1 4.23Å; Y362-F415 AromaticContact CG-CD1 3.56Å; Y362-F415 HydrophobicContact CG-CD1 3.56Å; Y362-F415 HydrophobicContact CG-CE1 4.16Å; L413-F415 HydrophobicContact CB-CZ 4.26Å; F415-K417 VanDerWaalsContact C-N 3.31Å
416	N	93.2	Very high	93.5	Very high	137 Å²	137	45.8 Å²	45.8	73%	0.733	24%	0.242	S	C	*	.	S	Bend	trans	-75.4	-26.6	172.9	-64.8	-42.4	0	0	0	111.4	D414 K418	D414-N416 VanDerWaalsContact C-N 3.34Å; D414-N416 WeakPolarHBondContact OD1-CB 3.46Å; D414-N416 PolarHBondContact OD1-N 3.37Å; N416-K418 PolarHBondContact O-N 2.76Å; N416-K418 VanDerWaalsContact O-N 3.14Å
417	K	94.6	Very high	94.3	Very high	96 Å²	96	47.1 Å²	47.1	42%	0.417	24%	0.242	S	C	.	.	S	Bend	trans	-83.3	79	174.8	-73.4	179.5	-172.5	169.8	0	110.6	Y362 N363 N364 D414 F415	Y362-K417 CarbonylContact C-O 3.6Å; Y362-K417 VanDerWaalsContact C-O 3.25Å; Y362-K417 WeakPolarHBondContact CA-O 3.28Å; N363-K417 CarbonylContact C-O 3.59Å; N363-K417 WeakPolarHBondContact CA-O 3.33Å; N363-K417 PolarHBondContact N-O 3.15Å; N364-K417 PolarHBondContact N-O 3.05Å; N364-K417 WeakPolarHBondContact OD1-CB 3.27Å; D414-K417 HydrophobicContact CB-CB 4.24Å; D414-K417 HydrophobicContact CB-CD 4.09Å; D414-K417 HydrophobicContact CB-CG 4.31Å; D414-K417 PolarHBondContact O-N 2.86Å; D414-K417 VanDerWaalsContact OD2-CD 3.24Å; D414-K417 WeakPolarHBondContact OD2-CD 3.04Å; D414-K417 WeakPolarHBondContact OD2-CE 3.42Å; D414-K417 WeakPolarHBondContact OD2-CG 3.49Å; D414-K417 IonicContact OD2-NZ 3.02Å; F415-K417 VanDerWaalsContact C-N 3.31Å
418	K	96.2	Very high	94.5	Very high	72 Å²	72	48.3 Å²	48.3	31%	0.313	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-109.1	135.6	-178.6	55.9	-169.4	178	-173.8	0	112.1	D344 Y362 N416 L420	D344-K418 IonicContact OD1-NZ 2.87Å; D344-K418 PolarHBondContact OD1-NZ 2.85Å; D344-K418 IonicContact OD2-NZ 3.17Å; Y362-K418 HydrophobicContact CD1-CB 4.01Å; Y362-K418 HydrophobicContact CE1-CB 4.2Å; N416-K418 PolarHBondContact O-N 2.76Å; N416-K418 VanDerWaalsContact O-N 3.14Å; K418-L420 HydrophobicContact CB-CD2 4.26Å; K418-L420 HydrophobicContact CB-CG 4.39Å; K418-L420 HydrophobicContact CD-CD1 4.03Å; K418-L420 HydrophobicContact CD-CD2 4.1Å; K418-L420 HydrophobicContact CD-CG 4.12Å; K418-L420 HydrophobicContact CG-CD1 4.27Å; K418-L420 HydrophobicContact CG-CD2 4.24Å; K418-L420 HydrophobicContact CG-CG 3.99Å
419	I	98.3	Very high	94.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.			trans	-95.9	95.8	170.8	-56	-55	0	0	0	107.6	F346 G360 S361 N364 F365 A381 T422 V433 A434 A435	F346-I419 WeakPolarHBondContact CD1-O 3.44Å; F346-I419 WeakPolarHBondContact CE1-O 3.38Å; G360-I419 VanDerWaalsContact CA-O 3.3Å; G360-I419 WeakPolarHBondContact CA-O 3.27Å; S361-I419 PolarHBondContact O-N 2.91Å; N364-I419 HydrophobicContact CB-CD1 4.17Å; F365-I419 WeakPolarHBondContact O-CG1 3.4Å; A381-I419 HydrophobicContact CB-CD1 4.39Å; I419-T422 HydrophobicContact CG2-CG2 3.41Å; I419-T422 VanDerWaalsContact CG2-CG2 3.41Å; I419-V433 HydrophobicContact CD1-CG1 3.94Å; I419-V433 HydrophobicContact CG1-CG1 4.27Å; I419-V433 HydrophobicContact CG2-CG1 3.58Å; I419-A434 WeakPolarHBondContact CD1-O 3.35Å; I419-A435 HydrophobicContact CD1-CB 3.46Å; I419-A435 VanDerWaalsContact CD1-CB 3.46Å
420	L	98.4	Very high	95	Very high	30 Å²	30	48 Å²	48	16%	0.157	25%	0.246	C	C	.	.			trans	-90.7	-35.8	179.3	-60.3	-178.7	0	0	0	112.4	D344 F346 E347 K418	D344-L420 HydrophobicContact CB-CD2 4.07Å; F346-L420 HydrophobicContact CD1-CD2 3.83Å; F346-L420 HydrophobicContact CD2-CD2 4.46Å; F346-L420 HydrophobicContact CE1-CD2 3.74Å; F346-L420 HydrophobicContact CE2-CD2 4.38Å; F346-L420 HydrophobicContact CG-CD2 4.19Å; F346-L420 HydrophobicContact CZ-CD2 4.02Å; E347-L420 WeakPolarHBondContact CB-O 3.42Å; E347-L420 PolarHBondContact N-O 3.29Å; K418-L420 HydrophobicContact CB-CD2 4.26Å; K418-L420 HydrophobicContact CB-CG 4.39Å; K418-L420 HydrophobicContact CD-CD1 4.03Å; K418-L420 HydrophobicContact CD-CD2 4.1Å; K418-L420 HydrophobicContact CD-CG 4.12Å; K418-L420 HydrophobicContact CG-CD1 4.27Å; K418-L420 HydrophobicContact CG-CD2 4.24Å; K418-L420 HydrophobicContact CG-CG 3.99Å
421	H	98.4	Very high	95.2	Very high	30 Å²	30	47.7 Å²	47.7	14%	0.139	24%	0.244	C	C	.	.			trans	-117.1	125.4	-171.4	-48.6	-66.5	0	0	0	110.9	S32 V34 E347 A434	S32-H421 PolarHBondContact O-CE1 2.62Å; S32-H421 PolarHBondContact O-ND1 2.71Å; S32-H421 PolarHBondContact O-NE2 2.89Å; V34-H421 HydrophobicContact CG2-CB 4.16Å; E347-H421 VanDerWaalsContact CD-ND1 3.31Å; E347-H421 IonicContact OE1-CE1 3.98Å; E347-H421 IonicContact OE1-ND1 2.77Å; E347-H421 PolarHBondContact OE1-ND1 3.16Å; E347-H421 IonicContact OE2-ND1 3.74Å; E347-H421 PolarHBondContact OE2-ND1 3.26Å; H421-A434 HydrophobicContact CB-CB 4.21Å; H421-A434 PolarHBondContact O-N 3.31Å; H421-A434 VanDerWaalsContact O-N 3.09Å
422	T	98.3	Very high	95.6	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.037	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.1	179.6	67.5	0	0	0	0	110.2	M358 I419 A432 V433	M358-T422 HydrophobicContact CE-CG2 4.43Å; I419-T422 HydrophobicContact CG2-CG2 3.41Å; I419-T422 VanDerWaalsContact CG2-CG2 3.41Å; T422-A432 CarbonylContact C-O 3.57Å; T422-A432 WeakPolarHBondContact CA-O 3.38Å; T422-V433 HydrophobicContact CG2-CG1 4.37Å; T422-V433 HydrophobicContact CG2-CG2 4.41Å
423	A	98.3	Very high	95.9	Very high	6 Å²	6	38.3 Å²	38.3	5%	0.05	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.7	175.1	0	0	0	0	0	111	V34 F36 I431 A432	V34-A423 HydrophobicContact CB-CB 4.39Å; V34-A423 HydrophobicContact CG1-CB 3.92Å; F36-A423 HydrophobicContact CD2-CB 3.76Å; F36-A423 HydrophobicContact CE2-CB 4.01Å; A423-I431 WeakPolarHBondContact O-CA 3.5Å; A423-A432 HydrophobicContact CB-CB 4.44Å; A423-A432 PolarHBondContact N-O 2.9Å; A423-A432 PolarHBondContact O-N 2.82Å
424	W	97.9	Very high	96.1	Very high	16 Å²	16	37.9 Å²	37.9	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.2	171.9	-153.4	-49.7	0	0	0	108.9	W12 F36 W350 N351 A356 M358 M368 D428 I431	W12-W424 AromaticContact CH2-CZ2 3.83Å; W12-W424 HydrophobicContact CH2-CZ2 3.83Å; W12-W424 HydrophobicContact CZ2-CH2 4.09Å; W12-W424 AromaticContact CZ2-CZ2 3.68Å; W12-W424 HydrophobicContact CZ2-CZ2 3.68Å; F36-W424 WeakPolarHBondContact CD2-O 3.45Å; W350-W424 WeakPolarHBondContact O-CB 3.48Å; N351-W424 HydrophobicContact CB-CD2 3.56Å; N351-W424 HydrophobicContact CB-CE3 3.84Å; N351-W424 HydrophobicContact CB-CG 4.2Å; N351-W424 HydrophobicContact CB-CH2 3.63Å; N351-W424 HydrophobicContact CB-CZ2 3.35Å; N351-W424 HydrophobicContact CB-CZ3 3.87Å; A356-W424 HydrophobicContact CB-CH2 3.69Å; A356-W424 HydrophobicContact CB-CZ3 4.16Å; M358-W424 HydrophobicContact CB-CE3 3.8Å; M358-W424 HydrophobicContact CB-CZ3 3.83Å; M368-W424 HydrophobicContact CE-CE3 4.36Å; M368-W424 HydrophobicContact CE-CH2 3.12Å; M368-W424 HydrophobicContact CE-CZ2 3.89Å; M368-W424 HydrophobicContact CE-CZ3 3.41Å; M368-W424 VanDerWaalsContact CE-CZ3 3.41Å; W424-D428 PolarHBondContact NE1-O 2.91Å; W424-I431 HydrophobicContact CB-CG2 4.37Å; W424-I431 HydrophobicContact CD2-CG2 3.63Å; W424-I431 HydrophobicContact CE3-CG2 4.14Å; W424-I431 HydrophobicContact CG-CG2 3.76Å; W424-I431 HydrophobicContact CZ2-CG2 4.46Å
425	H	97.4	Very high	96.1	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.042	17%	0.173	C	C	.	.			trans	-58.5	136.2	173.2	-172.7	-83.9	0	0	0	111	F36 G40 Y71 K427 D428 V430	F36-H425 HydrophobicContact CE1-CB 4.49Å; F36-H425 AromaticContact CE1-CD2 3.98Å; F36-H425 HydrophobicContact CE2-CB 4.31Å; F36-H425 HydrophobicContact CZ-CB 4.29Å; G40-H425 VanDerWaalsContact CA-NE2 3.25Å; G40-H425 WeakPolarHBondContact CA-NE2 3.28Å; G40-H425 PolarHBondContact O-CD2 3.19Å; G40-H425 PolarHBondContact O-NE2 3.4Å; Y71-H425 PolarHBondContact OH-CD2 3.08Å; Y71-H425 VanDerWaalsContact OH-CD2 3.26Å; H425-K427 PolarHBondContact ND1-N 2.93Å; H425-K427 PolarHBondContact O-N 2.67Å; H425-D428 HydrophobicContact CB-CB 4.36Å; H425-D428 IonicContact CE1-OD2 3.93Å; H425-D428 PolarHBondContact CE1-OD2 2.71Å; H425-D428 VanDerWaalsContact ND1-CB 3.34Å; H425-D428 WeakPolarHBondContact ND1-CB 3.43Å; H425-D428 PolarHBondContact ND1-N 2.79Å; H425-D428 IonicContact ND1-OD2 3.58Å; H425-D428 IonicContact NE2-OD2 2.75Å; H425-V430 HydrophobicContact CB-CB 3.88Å; H425-V430 VanDerWaalsContact CB-O 3.26Å; H425-V430 WeakPolarHBondContact CB-O 3.48Å; H425-V430 PolarHBondContact N-O 2.79Å
426	P	94.9	Very high	96	Very high	30 Å²	30	35.7 Å²	35.7	20%	0.195	18%	0.178	C	C	.	.	S	Bend	trans	-64.7	-18.2	-170.9	24.8	-36.6	0	0	0	114.4	Y38 G352	Y38-P426 WeakPolarHBondContact O-CG 2.93Å; G352-P426 WeakPolarHBondContact CA-O 3.48Å
427	K	92	Very high	95.9	Very high	155 Å²	155	29.8 Å²	29.8	67%	0.674	15%	0.147	S	C	*	.	S	Bend	trans	-132.1	-13.6	-174	-61.7	179.3	-174.6	171.5	0	115.3	H425	H425-K427 PolarHBondContact ND1-N 2.93Å; H425-K427 PolarHBondContact O-N 2.67Å
428	D	92.3	Very high	95.8	Very high	55 Å²	55	26.2 Å²	26.2	29%	0.294	13%	0.132	S	C	.	.	S	Bend	trans	-130	160.3	-167.7	-80.1	-78.9	0	0	0	110.9	R68 W424 H425 V430	R68-D428 IonicContact CZ-OD1 3.74Å; R68-D428 VanDerWaalsContact NH1-CG 3.3Å; R68-D428 IonicContact NH1-OD1 3.64Å; R68-D428 PolarHBondContact NH1-OD1 2.91Å; R68-D428 IonicContact NH2-OD1 3.69Å; R68-D428 PolarHBondContact NH2-OD1 2.83Å; W424-D428 PolarHBondContact NE1-O 2.91Å; H425-D428 HydrophobicContact CB-CB 4.36Å; H425-D428 IonicContact CE1-OD2 3.93Å; H425-D428 PolarHBondContact CE1-OD2 2.71Å; H425-D428 VanDerWaalsContact ND1-CB 3.34Å; H425-D428 WeakPolarHBondContact ND1-CB 3.43Å; H425-D428 PolarHBondContact ND1-N 2.79Å; H425-D428 IonicContact ND1-OD2 3.58Å; H425-D428 IonicContact NE2-OD2 2.75Å; D428-V430 HydrophobicContact CB-CG2 4.22Å; D428-V430 PolarHBondContact O-N 3.45Å
429	N	93.3	Very high	95.9	Very high	46 Å²	46	22.9 Å²	22.9	25%	0.246	12%	0.118	C	C	.	.	S	Bend	trans	-80.3	65.3	170.6	-60.6	-22.7	0	0	0	110.3	W12 Q443 D444	W12-N429 HydrophobicContact CH2-CB 3.91Å; W12-N429 HydrophobicContact CZ3-CB 4.35Å; W12-N429 WeakPolarHBondContact CZ3-O 3.29Å; N429-Q443 WeakPolarHBondContact O-CA 3.49Å; N429-D444 HydrophobicContact CB-CB 3.45Å; N429-D444 VanDerWaalsContact CB-CB 3.45Å; N429-D444 PolarHBondContact ND2-OD2 2.83Å; N429-D444 PolarHBondContact O-N 2.73Å
430	V	95.3	Very high	95.8	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.03	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	131	170.7	-179.9	0	0	0	0	107.4	F36 Y71 H425 D428 I441 F442 Q443	F36-V430 HydrophobicContact CZ-CG1 4.38Å; Y71-V430 HydrophobicContact CE2-CG1 4.24Å; H425-V430 HydrophobicContact CB-CB 3.88Å; H425-V430 VanDerWaalsContact CB-O 3.26Å; H425-V430 WeakPolarHBondContact CB-O 3.48Å; H425-V430 PolarHBondContact N-O 2.79Å; D428-V430 HydrophobicContact CB-CG2 4.22Å; D428-V430 PolarHBondContact O-N 3.45Å; V430-I441 HydrophobicContact CG1-CG2 3.89Å; V430-F442 WeakPolarHBondContact CA-O 3.49Å; V430-Q443 HydrophobicContact CG2-CB 4.16Å
431	I	97.1	Very high	95.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.7	178.8	59	173.1	0	0	0	110	W12 M358 F366 M368 A423 W424 V433 I441 F442	W12-I431 HydrophobicContact CD2-CD1 4.22Å; W12-I431 HydrophobicContact CE3-CD1 4Å; W12-I431 HydrophobicContact CE3-CG1 3.98Å; W12-I431 HydrophobicContact CH2-CD1 4.45Å; W12-I431 HydrophobicContact CH2-CG1 4.3Å; W12-I431 HydrophobicContact CH2-CG2 3.69Å; W12-I431 HydrophobicContact CZ2-CG2 4.4Å; W12-I431 HydrophobicContact CZ3-CB 4.36Å; W12-I431 HydrophobicContact CZ3-CD1 4.11Å; W12-I431 HydrophobicContact CZ3-CG1 3.75Å; W12-I431 HydrophobicContact CZ3-CG2 3.95Å; M358-I431 HydrophobicContact CE-CB 4Å; M358-I431 HydrophobicContact CE-CG2 3.94Å; M358-I431 HydrophobicContact SD-CB 4.08Å; M358-I431 HydrophobicContact SD-CD1 3.79Å; M358-I431 HydrophobicContact SD-CG2 4.03Å; F366-I431 HydrophobicContact CD2-CD1 4.46Å; F366-I431 HydrophobicContact CE2-CD1 3.64Å; F366-I431 HydrophobicContact CZ-CD1 4.16Å; M368-I431 HydrophobicContact SD-CD1 4.42Å; A423-I431 WeakPolarHBondContact O-CA 3.5Å; W424-I431 HydrophobicContact CB-CG2 4.37Å; W424-I431 HydrophobicContact CD2-CG2 3.63Å; W424-I431 HydrophobicContact CE3-CG2 4.14Å; W424-I431 HydrophobicContact CG-CG2 3.76Å; W424-I431 HydrophobicContact CZ2-CG2 4.46Å; I431-V433 HydrophobicContact CD1-CG2 4.35Å; I431-I441 WeakPolarHBondContact O-CA 3.47Å; I431-F442 HydrophobicContact CD1-CB 3.98Å; I431-F442 HydrophobicContact CD1-CD2 3.89Å; I431-F442 HydrophobicContact CD1-CG 4.36Å; I431-F442 HydrophobicContact CG1-CB 3.65Å; I431-F442 HydrophobicContact CG1-CD2 3.99Å; I431-F442 HydrophobicContact CG1-CG 4.32Å; I431-F442 PolarHBondContact N-O 2.79Å; I431-F442 PolarHBondContact O-N 3.37Å
432	A	98	Very high	95.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.4	174.1	0	0	0	0	0	108.9	V34 F36 L43 T422 A423 L439 Y440	V34-A432 HydrophobicContact CG1-CB 3.81Å; F36-A432 HydrophobicContact CE2-CB 3.95Å; F36-A432 HydrophobicContact CZ-CB 4.11Å; L43-A432 HydrophobicContact CD1-CB 4.02Å; L43-A432 HydrophobicContact CD2-CB 3.8Å; T422-A432 CarbonylContact C-O 3.57Å; T422-A432 WeakPolarHBondContact CA-O 3.38Å; A423-A432 HydrophobicContact CB-CB 4.44Å; A423-A432 PolarHBondContact N-O 2.9Å; A423-A432 PolarHBondContact O-N 2.82Å; A432-L439 HydrophobicContact CB-CD1 4.19Å; A432-Y440 CarbonylContact C-O 3.52Å; A432-Y440 WeakPolarHBondContact CA-O 3.14Å
433	V	98.1	Very high	95.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	116.9	-174.7	178.1	0	0	0	0	108.8	M358 F366 A381 I419 T422 I431 Y440 F442	M358-V433 HydrophobicContact SD-CG2 4.39Å; F366-V433 HydrophobicContact CD1-CG1 4.22Å; F366-V433 HydrophobicContact CD1-CG2 4.41Å; F366-V433 HydrophobicContact CE1-CG2 4.45Å; F366-V433 HydrophobicContact CG-CG2 4.46Å; A381-V433 HydrophobicContact CB-CG1 4.2Å; I419-V433 HydrophobicContact CD1-CG1 3.94Å; I419-V433 HydrophobicContact CG1-CG1 4.27Å; I419-V433 HydrophobicContact CG2-CG1 3.58Å; T422-V433 HydrophobicContact CG2-CG1 4.37Å; T422-V433 HydrophobicContact CG2-CG2 4.41Å; I431-V433 HydrophobicContact CD1-CG2 4.35Å; V433-Y440 PolarHBondContact N-O 2.73Å; V433-Y440 PolarHBondContact O-N 3.05Å; V433-F442 HydrophobicContact CB-CE2 4.07Å; V433-F442 HydrophobicContact CG2-CD2 4.04Å; V433-F442 HydrophobicContact CG2-CE2 3.95Å
434	A	97.4	Very high	94.6	Very high	4 Å²	4	23 Å²	23	3%	0.033	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.7	175.4	0	0	0	0	0	110.7	I31 V34 I419 H421 N438	I31-A434 HydrophobicContact CB-CB 4.01Å; I31-A434 HydrophobicContact CD1-CB 4.41Å; I31-A434 HydrophobicContact CG2-CB 3.69Å; V34-A434 HydrophobicContact CG2-CB 3.8Å; I419-A434 WeakPolarHBondContact CD1-O 3.35Å; H421-A434 HydrophobicContact CB-CB 4.21Å; H421-A434 PolarHBondContact O-N 3.31Å; H421-A434 VanDerWaalsContact O-N 3.09Å; A434-N438 WeakPolarHBondContact CA-O 3.38Å
435	A	94.8	Very high	93.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	101.9	170.6	0	0	0	0	0	108.6	I419 N437 N438 Y440	I419-A435 HydrophobicContact CD1-CB 3.46Å; I419-A435 VanDerWaalsContact CD1-CB 3.46Å; A435-N437 PolarHBondContact O-N 2.88Å; A435-N438 PolarHBondContact N-O 2.96Å; A435-N438 WeakPolarHBondContact O-CB 3.31Å; A435-N438 PolarHBondContact O-N 3.38Å; A435-Y440 HydrophobicContact CB-CD2 4.23Å; A435-Y440 HydrophobicContact CB-CE2 3.85Å
436	T	91.9	Very high	92.2	Very high	52 Å²	52	31.2 Å²	31.2	32%	0.319	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-115.7	-174.1	-43.2	0	0	0	0	111.1	V25 I30 I31	V25-T436 HydrophobicContact CB-CG2 4.16Å; V25-T436 HydrophobicContact CG1-CG2 3.87Å; V25-T436 HydrophobicContact CG2-CG2 4.17Å; I30-T436 HydrophobicContact CD1-CG2 4.33Å; I30-T436 HydrophobicContact CG1-CG2 3.99Å; I31-T436 PolarHBondContact N-O 3.14Å
437	N	90.4	Very high	90	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.064	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.4	174.5	63.2	-19.7	0	0	0	113.6	V25 D29 A435	V25-N437 HydrophobicContact CG1-CB 3.47Å; V25-N437 VanDerWaalsContact CG1-CB 3.47Å; V25-N437 WeakPolarHBondContact CG1-ND2 3.23Å; V25-N437 WeakPolarHBondContact CG2-ND2 3.23Å; V25-N437 WeakPolarHBondContact CG2-OD1 3.37Å; D29-N437 HydrophobicContact CB-CB 4.14Å; D29-N437 WeakPolarHBondContact O-CA 3.17Å; D29-N437 VanDerWaalsContact O-CB 3.22Å; D29-N437 WeakPolarHBondContact O-CB 3.41Å; A435-N437 PolarHBondContact O-N 2.88Å
438	N	94.2	Very high	89.9	Confident	22 Å²	22	33.7 Å²	33.7	12%	0.118	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.7	-175.5	-66.5	-52.9	0	0	0	111	V17 K18 A20 R383 A434 A435 Y440	V17-N438 HydrophobicContact CG2-CB 4.12Å; K18-N438 CarbonylContact O-C 3.52Å; K18-N438 VanDerWaalsContact O-CA 3.25Å; K18-N438 WeakPolarHBondContact O-CA 3.41Å; A20-N438 PolarHBondContact O-OD1 3.34Å; A20-N438 VanDerWaalsContact O-OD1 3.14Å; R383-N438 PolarHBondContact NE-OD1 3.2Å; R383-N438 PolarHBondContact NH2-OD1 3.06Å; A434-N438 WeakPolarHBondContact CA-O 3.38Å; A435-N438 PolarHBondContact N-O 2.96Å; A435-N438 WeakPolarHBondContact O-CB 3.31Å; A435-N438 PolarHBondContact O-N 3.38Å; N438-Y440 HydrophobicContact CB-CD2 4.18Å; N438-Y440 HydrophobicContact CB-CE2 3.58Å
439	L	96.6	Very high	89.8	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109.6	170.1	-176	68.5	0	0	0	109.2	V17 K18 I31 V34 L43 T45 F55 A432	V17-L439 CarbonylContact C-O 3.57Å; V17-L439 VanDerWaalsContact CA-O 3.31Å; V17-L439 WeakPolarHBondContact CA-O 3.45Å; K18-L439 HydrophobicContact CB-CB 4.27Å; K18-L439 PolarHBondContact N-O 3.18Å; K18-L439 PolarHBondContact O-N 2.85Å; I31-L439 HydrophobicContact CD1-CB 3.84Å; V34-L439 HydrophobicContact CG1-CD1 4.07Å; V34-L439 HydrophobicContact CG2-CD1 4.11Å; L43-L439 HydrophobicContact CD2-CD2 3.95Å; T45-L439 HydrophobicContact CG2-CD1 3.97Å; T45-L439 HydrophobicContact CG2-CD2 3.71Å; T45-L439 HydrophobicContact CG2-CG 4.38Å; F55-L439 HydrophobicContact CD2-CD2 4.09Å; F55-L439 HydrophobicContact CE2-CD2 3.67Å; F55-L439 HydrophobicContact CZ-CD2 4.16Å; A432-L439 HydrophobicContact CB-CD1 4.19Å
440	Y	96.5	Very high	89.6	Confident	7 Å²	7	31.8 Å²	31.8	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.9	173.7	-66.5	-100.4	0	0	0	110.1	F14 V17 A381 R383 A432 V433 A435 N438 F442	F14-Y440 HydrophobicContact CD2-CD1 4.36Å; F14-Y440 AromaticContact CE2-CD1 3.95Å; F14-Y440 HydrophobicContact CE2-CD1 3.95Å; F14-Y440 HydrophobicContact CE2-CE1 4.46Å; V17-Y440 HydrophobicContact CB-CD1 4.27Å; V17-Y440 HydrophobicContact CB-CE1 4.35Å; V17-Y440 HydrophobicContact CG2-CD1 4.05Å; V17-Y440 HydrophobicContact CG2-CD2 4.4Å; V17-Y440 HydrophobicContact CG2-CE1 3.9Å; V17-Y440 HydrophobicContact CG2-CE2 4.25Å; V17-Y440 HydrophobicContact CG2-CG 4.31Å; A381-Y440 HydrophobicContact CB-CD1 4.31Å; A381-Y440 HydrophobicContact CB-CD2 3.85Å; A381-Y440 HydrophobicContact CB-CE1 4.47Å; A381-Y440 HydrophobicContact CB-CE2 4.02Å; A381-Y440 HydrophobicContact CB-CG 4Å; R383-Y440 HydrophobicContact CG-CE1 4.33Å; R383-Y440 PolarHBondContact N-OH 2.9Å; A432-Y440 CarbonylContact C-O 3.52Å; A432-Y440 WeakPolarHBondContact CA-O 3.14Å; V433-Y440 PolarHBondContact N-O 2.73Å; V433-Y440 PolarHBondContact O-N 3.05Å; A435-Y440 HydrophobicContact CB-CD2 4.23Å; A435-Y440 HydrophobicContact CB-CE2 3.85Å; N438-Y440 HydrophobicContact CB-CD2 4.18Å; N438-Y440 HydrophobicContact CB-CE2 3.58Å; Y440-F442 HydrophobicContact CD1-CE1 4.48Å; Y440-F442 AromaticContact CD1-CZ 3.96Å; Y440-F442 HydrophobicContact CD1-CZ 3.96Å; Y440-F442 HydrophobicContact CG-CE2 4.45Å; Y440-F442 HydrophobicContact CG-CZ 4.06Å
441	I	95.8	Very high	89.3	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.1	172.5	-57.8	177.5	0	0	0	107.6	S15 Q16 L43 Y71 V430 I431	S15-I441 WeakPolarHBondContact CA-O 3.37Å; S15-I441 WeakPolarHBondContact CB-O 3.14Å; S15-I441 PolarHBondContact N-O 3.16Å; Q16-I441 HydrophobicContact CB-CB 4.26Å; Q16-I441 HydrophobicContact CB-CD1 4.42Å; Q16-I441 PolarHBondContact N-O 3.36Å; Q16-I441 PolarHBondContact O-N 3.28Å; L43-I441 HydrophobicContact CD2-CD1 4.21Å; Y71-I441 HydrophobicContact CD2-CD1 3.95Å; Y71-I441 HydrophobicContact CD2-CG2 4.48Å; Y71-I441 HydrophobicContact CG-CD1 3.99Å; V430-I441 HydrophobicContact CG1-CG2 3.89Å; I431-I441 WeakPolarHBondContact O-CA 3.47Å
442	F	94.5	Very high	88.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.1	173.6	-50.4	-75.4	0	0	0	109.6	W12 C13 F14 F366 A381 L392 V430 I431 V433 Y440	W12-F442 HydrophobicContact CE3-CB 4.07Å; C13-F442 VanDerWaalsContact O-CA 3.3Å; C13-F442 WeakPolarHBondContact O-CA 3.32Å; F14-F442 HydrophobicContact CB-CD1 4.36Å; F14-F442 HydrophobicContact CB-CE1 4.36Å; F14-F442 HydrophobicContact CD2-CD1 4.36Å; F14-F442 AromaticContact CD2-CE1 3.88Å; F14-F442 HydrophobicContact CD2-CE1 3.88Å; F366-F442 HydrophobicContact CE1-CD2 4.34Å; F366-F442 AromaticContact CE1-CE2 3.74Å; F366-F442 HydrophobicContact CE1-CE2 3.74Å; F366-F442 HydrophobicContact CE1-CZ 4.26Å; F366-F442 AromaticContact CZ-CD2 3.87Å; F366-F442 HydrophobicContact CZ-CD2 3.87Å; F366-F442 AromaticContact CZ-CE2 3.73Å; F366-F442 HydrophobicContact CZ-CE2 3.73Å; F366-F442 HydrophobicContact CZ-CZ 4.41Å; A381-F442 HydrophobicContact CB-CE2 4.44Å; A381-F442 HydrophobicContact CB-CZ 4.19Å; L392-F442 HydrophobicContact CD1-CD1 3.6Å; L392-F442 HydrophobicContact CD1-CE1 3.75Å; L392-F442 HydrophobicContact CD1-CG 4.03Å; L392-F442 HydrophobicContact CD1-CZ 4.28Å; L392-F442 HydrophobicContact CD2-CD1 4.24Å; L392-F442 HydrophobicContact CD2-CE1 3.88Å; L392-F442 HydrophobicContact CG-CD1 4.2Å; L392-F442 HydrophobicContact CG-CE1 4.28Å; V430-F442 WeakPolarHBondContact CA-O 3.49Å; I431-F442 HydrophobicContact CD1-CB 3.98Å; I431-F442 HydrophobicContact CD1-CD2 3.89Å; I431-F442 HydrophobicContact CD1-CG 4.36Å; I431-F442 HydrophobicContact CG1-CB 3.65Å; I431-F442 HydrophobicContact CG1-CD2 3.99Å; I431-F442 HydrophobicContact CG1-CG 4.32Å; I431-F442 PolarHBondContact N-O 2.79Å; I431-F442 PolarHBondContact O-N 3.37Å; V433-F442 HydrophobicContact CB-CE2 4.07Å; V433-F442 HydrophobicContact CG2-CD2 4.04Å; V433-F442 HydrophobicContact CG2-CE2 3.95Å; Y440-F442 HydrophobicContact CD1-CE1 4.48Å; Y440-F442 AromaticContact CD1-CZ 3.96Å; Y440-F442 HydrophobicContact CD1-CZ 3.96Å; Y440-F442 HydrophobicContact CG-CE2 4.45Å; Y440-F442 HydrophobicContact CG-CZ 4.06Å
443	Q	91.3	Very high	88.2	Confident	27 Å²	27	37.8 Å²	37.8	13%	0.126	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.9	178.3	63.8	-170.8	-7.8	0	0	109.8	C13 S15 R68 N429 V430	C13-Q443 WeakPolarHBondContact CB-O 3.35Å; C13-Q443 PolarHBondContact N-O 3.22Å; C13-Q443 PolarHBondContact O-N 3.36Å; S15-Q443 PolarHBondContact OG-NE2 3.38Å; R68-Q443 VanDerWaalsContact CB-OE1 3.23Å; N429-Q443 WeakPolarHBondContact O-CA 3.49Å; V430-Q443 HydrophobicContact CG2-CB 4.16Å
444	D	87.6	Confident	87.5	Confident	37 Å²	37	40.5 Å²	40.5	20%	0.198	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	146.9	174.6	-164.8	13.2	0	0	0	111	Q11 N429 I446	Q11-D444 PolarHBondContact N-OD1 3.35Å; N429-D444 HydrophobicContact CB-CB 3.45Å; N429-D444 VanDerWaalsContact CB-CB 3.45Å; N429-D444 PolarHBondContact ND2-OD2 2.83Å; N429-D444 PolarHBondContact O-N 2.73Å; D444-I446 PolarHBondContact O-N 3.11Å
445	K	77.2	Confident	86.7	Confident	97 Å²	97	43.3 Å²	43.3	42%	0.422	22%	0.224	S	C	.	.			trans	-73.8	114.4	-179.3	-170.5	-177.3	176	-167.8	0	109	Q11 N447	Q11-K445 HydrophobicContact CB-CB 4.08Å; Q11-K445 HydrophobicContact CG-CB 4.14Å; Q11-K445 HydrophobicContact CG-CD 4.25Å; Q11-K445 WeakPolarHBondContact O-CB 3.45Å; Q11-K445 PolarHBondContact O-N 2.95Å; K445-N447 PolarHBondContact O-N 3.06Å
446	I	66.3	Low	86.1	Confident	101 Å²	101	46.8 Å²	46.8	52%	0.518	24%	0.242	S	C	.	.			trans	-71.7	123.2	169.3	-51.7	172.6	0	0	0	107.3	R68 D444	R68-I446 HydrophobicContact CG-CD1 3.76Å; D444-I446 PolarHBondContact O-N 3.11Å
447	N	50.5	Low	85.5	Confident	203 Å²	203	46.4 Å²	46.4	100%	1.086	23%	0.234	S	C	*	.			trans	-75.2	0	173.5	-81.2	-29.5	0	0	0	111.9	K445	K445-N447 PolarHBondContact O-N 3.06Å

Retrieved 447 of 447 residues in 833.2 ms (Link to these results)

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