A0A096MZM1_PAPAN Loading...

Semaphorin-3C

Binds to plexin family members and plays an important role in the regulation of developmental processes. Required for normal cardiovascular development during embryogenesis. Functions as attractant for growing axons, and thereby plays an important role in axon growth and axon guidance.

AlphaFold DB , UniProt , Accession A0A096MZM1, Species PAPAN (Papio anubis, Olive baboon), Gene SEMA3C, Length 751 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	43.4	Very low	41	Very low	221 Å²	221	124.2 Å²	124.2	100%	1.089	65%	0.65	S	S	*	*				0	-11.1	0	-72.8	-170.9	-157.7	0	0	114.8
2	A	40	Very low	40.8	Very low	69 Å²	69	120.8 Å²	120.8	57%	0.57	64%	0.638	S	S	*	*	H	α-helix	trans	-75.5	-33.7	179.3	0	0	0	0	0	114.5	R4 K5 I6	A2-R4 PolarHBondContact O-N 2.69Å; A2-K5 PolarHBondContact O-N 3.45Å; A2-I6 PolarHBondContact O-N 3.35Å
3	F	36.8	Very low	39.9	Very low	178 Å²	178	122.8 Å²	122.8	78%	0.781	64%	0.639	S	S	*	*	H	α-helix	trans	-68.6	-31.8	-178.4	-100.7	-93.4	0	0	0	114.7	C7	F3-C7 PolarHBondContact O-N 3.45Å
4	R	38.2	Very low	39.5	Very low	218 Å²	218	122.7 Å²	122.7	82%	0.823	64%	0.637	S	S	*	*	H	α-helix	trans	-72.9	-28	176.9	-100.9	-177	172.9	-178.4	-2.3	113.1	A2 V8	A2-R4 PolarHBondContact O-N 2.69Å; R4-V8 WeakPolarHBondContact O-CG2 3.43Å; R4-V8 PolarHBondContact O-N 3.25Å
5	K	39.2	Very low	38.8	Very low	159 Å²	159	121 Å²	121	69%	0.691	64%	0.639	S	S	*	*	H	α-helix	trans	-75.3	-31.6	177.3	-73.1	-171.3	174.8	-174.9	0	112	A2 L9	A2-K5 PolarHBondContact O-N 3.45Å; K5-L9 PolarHBondContact O-N 3.46Å; K5-L9 VanDerWaalsContact O-N 3.09Å
6	I	44	Very low	38.1	Very low	101 Å²	101	118.6 Å²	118.6	52%	0.518	63%	0.634	S	S	.	*	H	α-helix	trans	-72.5	-41.2	177.6	-64.9	168.4	0	0	0	111.2	A2 V8 L9 V10	A2-I6 PolarHBondContact O-N 3.35Å; I6-V8 VanDerWaalsContact C-N 3.33Å; I6-V8 PolarHBondContact O-N 3.27Å; I6-L9 PolarHBondContact O-N 2.7Å; I6-V10 HydrophobicContact CG2-CG2 4.37Å; I6-V10 WeakPolarHBondContact O-CB 3.04Å; I6-V10 WeakPolarHBondContact O-CG2 3.26Å; I6-V10 PolarHBondContact O-N 2.77Å
7	C	42.5	Very low	37.5	Very low	92 Å²	92	118.3 Å²	118.3	62%	0.622	63%	0.632	S	S	*	*	H	α-helix	trans	-66.8	-30.6	175.7	-71.8	0	0	0	0	113.6	F3 G11	F3-C7 PolarHBondContact O-N 3.45Å; C7-G11 PolarHBondContact O-N 2.94Å
8	V	48.3	Very low	37	Very low	97 Å²	97	121.9 Å²	121.9	59%	0.588	64%	0.641	S	S	*	*	H	α-helix	trans	-75.1	-37.8	175.4	175.6	0	0	0	0	110.9	R4 I6 G11 V12	R4-V8 WeakPolarHBondContact O-CG2 3.43Å; R4-V8 PolarHBondContact O-N 3.25Å; I6-V8 VanDerWaalsContact C-N 3.33Å; I6-V8 PolarHBondContact O-N 3.27Å; V8-G11 PolarHBondContact O-N 2.9Å; V8-V12 HydrophobicContact CG1-CG2 4.35Å; V8-V12 WeakPolarHBondContact O-CB 3.28Å; V8-V12 WeakPolarHBondContact O-CG2 3.17Å; V8-V12 PolarHBondContact O-N 3.3Å
9	L	39.7	Very low	36.7	Very low	117 Å²	117	121.5 Å²	121.5	61%	0.613	64%	0.644	S	S	*	*	H	α-helix	trans	-67.6	-38.6	174.5	-91	153.1	0	0	0	112.5	K5 I6 F13	K5-L9 PolarHBondContact O-N 3.46Å; K5-L9 VanDerWaalsContact O-N 3.09Å; I6-L9 PolarHBondContact O-N 2.7Å; L9-F13 WeakPolarHBondContact O-CB 3.38Å; L9-F13 PolarHBondContact O-N 2.96Å
10	V	44.5	Very low	36.3	Very low	75 Å²	75	125.9 Å²	125.9	46%	0.455	66%	0.657	S	S	.	*	H	α-helix	trans	-73	-37.4	174.9	175.7	0	0	0	0	111.3	I6 F13 I14	I6-V10 HydrophobicContact CG2-CG2 4.37Å; I6-V10 WeakPolarHBondContact O-CB 3.04Å; I6-V10 WeakPolarHBondContact O-CG2 3.26Å; I6-V10 PolarHBondContact O-N 2.77Å; V10-F13 PolarHBondContact O-N 2.68Å; V10-I14 HydrophobicContact CG1-CD1 3.63Å; V10-I14 HydrophobicContact CG1-CG1 4.31Å; V10-I14 WeakPolarHBondContact O-CB 3.33Å; V10-I14 WeakPolarHBondContact O-CG1 3.5Å; V10-I14 PolarHBondContact O-N 3.07Å
11	G	34.6	Very low	36	Very low	39 Å²	39	122.4 Å²	122.4	40%	0.402	65%	0.652	S	S	.	*	H	α-helix	trans	-66.1	-35.3	173.8	0	0	0	0	0	113.5	C7 V8 C15	C7-G11 PolarHBondContact O-N 2.94Å; V8-G11 PolarHBondContact O-N 2.9Å; G11-C15 WeakPolarHBondContact O-CB 3.02Å; G11-C15 PolarHBondContact O-N 2.91Å; G11-C15 VanDerWaalsContact O-N 3.08Å
12	V	38.6	Very low	35.7	Very low	83 Å²	83	116.9 Å²	116.9	50%	0.503	64%	0.635	S	S	.	*	H	α-helix	trans	-76.7	-35.6	174.2	174.3	0	0	0	0	111.1	V8 C15 S16	V8-V12 HydrophobicContact CG1-CG2 4.35Å; V8-V12 WeakPolarHBondContact O-CB 3.28Å; V8-V12 WeakPolarHBondContact O-CG2 3.17Å; V8-V12 PolarHBondContact O-N 3.3Å; V12-C15 PolarHBondContact O-N 2.92Å; V12-S16 VanDerWaalsContact O-CB 3.27Å; V12-S16 WeakPolarHBondContact O-CB 3.33Å; V12-S16 PolarHBondContact O-N 3.32Å; V12-S16 PolarHBondContact O-OG 3.39Å
13	F	29.6	Very low	36.3	Very low	148 Å²	148	118.8 Å²	118.8	65%	0.649	64%	0.644	S	S	*	*	H	α-helix	trans	-66.8	-37	172.9	-122	-97.6	0	0	0	112.3	L9 V10 S16 I17	L9-F13 WeakPolarHBondContact O-CB 3.38Å; L9-F13 PolarHBondContact O-N 2.96Å; V10-F13 PolarHBondContact O-N 2.68Å; F13-S16 PolarHBondContact O-N 3.09Å; F13-I17 WeakPolarHBondContact O-CG1 3.43Å; F13-I17 PolarHBondContact O-N 3.48Å; F13-I17 VanDerWaalsContact O-N 3.08Å
14	I	33.5	Very low	37.6	Very low	121 Å²	121	114.3 Å²	114.3	62%	0.621	63%	0.625	S	S	*	*	H	α-helix	trans	-72.7	-31.1	176.4	-66.3	168.8	0	0	0	111.7	V10 S16	V10-I14 HydrophobicContact CG1-CD1 3.63Å; V10-I14 HydrophobicContact CG1-CG1 4.31Å; V10-I14 WeakPolarHBondContact O-CB 3.33Å; V10-I14 WeakPolarHBondContact O-CG1 3.5Å; V10-I14 PolarHBondContact O-N 3.07Å; I14-S16 VanDerWaalsContact C-N 3.34Å
15	C	29.3	Very low	39.2	Very low	97 Å²	97	106.3 Å²	106.3	66%	0.655	60%	0.602	S	S	*	*	H	α-helix	trans	-77.7	-15.5	169.3	-96.4	0	0	0	0	114.2	G11 V12	G11-C15 WeakPolarHBondContact O-CB 3.02Å; G11-C15 PolarHBondContact O-N 2.91Å; G11-C15 VanDerWaalsContact O-N 3.08Å; V12-C15 PolarHBondContact O-N 2.92Å
16	S	27.1	Very low	41.2	Very low	82 Å²	82	104.5 Å²	104.5	57%	0.573	60%	0.596	S	S	*	*	H	α-helix	trans	-95.7	-13.9	179.4	-54.4	0	0	0	0	113.2	V12 F13 I14 F18	V12-S16 VanDerWaalsContact O-CB 3.27Å; V12-S16 WeakPolarHBondContact O-CB 3.33Å; V12-S16 PolarHBondContact O-N 3.32Å; V12-S16 PolarHBondContact O-OG 3.39Å; F13-S16 PolarHBondContact O-N 3.09Å; I14-S16 VanDerWaalsContact C-N 3.34Å; S16-F18 PolarHBondContact O-N 3.4Å; S16-F18 VanDerWaalsContact O-N 3.11Å
17	I	28.6	Very low	43.5	Very low	114 Å²	114	100.2 Å²	100.2	59%	0.585	58%	0.576	S	S	*	*			trans	-83.8	61.5	158.5	-51	165.2	0	0	0	106.8	F13 V19	F13-I17 WeakPolarHBondContact O-CG1 3.43Å; F13-I17 PolarHBondContact O-N 3.48Å; F13-I17 VanDerWaalsContact O-N 3.08Å; I17-V19 PolarHBondContact O-N 3.36Å
18	F	29.1	Very low	45.8	Very low	184 Å²	184	96.8 Å²	96.8	81%	0.807	55%	0.549	S	S	*	.			trans	-57.9	105.9	135.2	-92.6	-89	0	0	0	103.4	S16 K20	S16-F18 PolarHBondContact O-N 3.4Å; S16-F18 VanDerWaalsContact O-N 3.11Å; F18-K20 PolarHBondContact O-N 3.21Å
19	V	30	Very low	47.9	Very low	113 Å²	113	93.3 Å²	93.3	69%	0.685	53%	0.528	S	S	*	.			trans	-35.5	121.4	153.7	178.1	0	0	0	0	104.1	I17 G21	I17-V19 PolarHBondContact O-N 3.36Å; V19-G21 PolarHBondContact O-N 3.25Å
20	K	29.9	Very low	50.4	Low	209 Å²	209	92.5 Å²	92.5	91%	0.909	52%	0.518	S	S	*	.			trans	-59.3	74.7	157.5	-83.5	178.6	174.5	175.5	0	104.6	F18 S22	F18-K20 PolarHBondContact O-N 3.21Å; K20-S22 VanDerWaalsContact C-N 3.33Å; K20-S22 PolarHBondContact O-N 3.46Å
21	G	29.4	Very low	52.8	Low	53 Å²	53	89.8 Å²	89.8	55%	0.546	50%	0.501	S	S	.	.			trans	-60.1	112.2	166.3	0	0	0	0	0	101.1	V19 S23	V19-G21 PolarHBondContact O-N 3.25Å; G21-S23 PolarHBondContact O-N 3.3Å
22	S	36.8	Very low	55.8	Low	106 Å²	106	90.1 Å²	90.1	74%	0.741	50%	0.495	S	S	*	.			trans	-38.1	114.3	163.8	174.7	0	0	0	0	105.8	K20 Q24	K20-S22 VanDerWaalsContact C-N 3.33Å; K20-S22 PolarHBondContact O-N 3.46Å; S22-Q24 PolarHBondContact O-N 2.74Å
23	S	53.9	Low	58.5	Low	108 Å²	108	87.1 Å²	87.1	76%	0.755	48%	0.475	S	S	*	.			trans	-49.5	113.8	177.6	50	0	0	0	0	105.8	G21	G21-S23 PolarHBondContact O-N 3.3Å
24	Q	62.5	Low	61.6	Low	84 Å²	84	84.2 Å²	84.2	39%	0.393	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-55	138.6	-176	-77	177.1	-10.7	0	0	108.1	S22 Q26 I423 G424 T425	S22-Q24 PolarHBondContact O-N 2.74Å; Q24-Q26 PolarHBondContact O-N 2.88Å; Q24-I423 PolarHBondContact NE2-O 3.34Å; Q24-G424 VanDerWaalsContact NE2-C 3.26Å; Q24-G424 PolarHBondContact NE2-O 3.1Å; Q24-G424 VanDerWaalsContact NE2-O 3.16Å; Q24-T425 VanDerWaalsContact NE2-CG2 3.29Å
25	P	71.7	Confident	64.6	Low	50 Å²	50	82.6 Å²	82.6	33%	0.325	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-58.2	118.1	179.6	21.2	-29.6	0	0	0	108.5	I473	P25-I473 HydrophobicContact CB-CD1 4.22Å; P25-I473 HydrophobicContact CB-CG1 4.38Å; P25-I473 HydrophobicContact CG-CD1 4.22Å; P25-I473 VanDerWaalsContact O-CD1 3.26Å; P25-I473 WeakPolarHBondContact O-CD1 3.06Å
26	Q	82.9	Confident	67.8	Low	122 Å²	122	78.1 Å²	78.1	57%	0.57	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-88.1	140.8	177.4	-70.8	-178.4	-18.6	0	0	109.7	Q24 R28 P597 Q598	Q24-Q26 PolarHBondContact O-N 2.88Å; Q26-R28 PolarHBondContact O-N 3.02Å; Q26-P597 HydrophobicContact CB-CG 4.25Å; Q26-Q598 PolarHBondContact O-NE2 3.09Å
27	A	90.8	Very high	71	Confident	11 Å²	11	80.9 Å²	80.9	9%	0.091	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-58.1	134	172	0	0	0	0	0	110.3	V29 I473 E476 P597	A27-V29 PolarHBondContact O-N 2.85Å; A27-I473 WeakPolarHBondContact CA-O 3.28Å; A27-I473 HydrophobicContact CB-CB 4.37Å; A27-I473 HydrophobicContact CB-CG2 3.61Å; A27-E476 HydrophobicContact CB-CB 3.62Å; A27-P597 WeakPolarHBondContact O-CG 3.36Å
28	R	90.9	Very high	74.2	Confident	19 Å²	19	82.7 Å²	82.7	7%	0.072	43%	0.43	C	S	.	.	S	Bend	trans	-59.7	-38.7	176.4	-179.7	-169.3	-174.1	73.9	11.1	111.4	Q26 I473 L474 L526 P597 E647	Q26-R28 PolarHBondContact O-N 3.02Å; R28-I473 PolarHBondContact N-O 2.84Å; R28-L474 WeakPolarHBondContact CB-O 3.44Å; R28-L526 PolarHBondContact NH1-O 3.33Å; R28-P597 WeakPolarHBondContact O-CD 3.48Å; R28-E647 IonicContact CZ-OE1 3.05Å; R28-E647 IonicContact CZ-OE2 3.29Å; R28-E647 IonicContact NH1-OE1 2.71Å; R28-E647 PolarHBondContact NH1-OE1 2.05Å; R28-E647 IonicContact NH1-OE2 2.74Å; R28-E647 PolarHBondContact NH1-OE2 2.91Å; R28-E647 VanDerWaalsContact NH1-OE2 3.07Å; R28-E647 IonicContact NH2-OE1 3.29Å; R28-E647 IonicContact NH2-OE2 2.81Å; R28-E647 PolarHBondContact NH2-OE2 2.85Å
29	V	92.2	Very high	77.3	Confident	24 Å²	24	75 Å²	75	15%	0.145	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.4	176.6	-176.7	0	0	0	0	108.9	A27 L31 L474 E475 E476 I516 Y517	A27-V29 PolarHBondContact O-N 2.85Å; V29-L31 HydrophobicContact CG1-CD2 4Å; V29-L31 HydrophobicContact CG1-CG 4Å; V29-L474 PolarHBondContact N-O 3.3Å; V29-E475 CarbonylContact O-C 3.53Å; V29-E475 VanDerWaalsContact O-CA 3.27Å; V29-E475 WeakPolarHBondContact O-CA 3.47Å; V29-E476 PolarHBondContact O-N 3.09Å; V29-I516 HydrophobicContact CB-CD1 4.45Å; V29-I516 HydrophobicContact CG1-CD1 3.95Å; V29-I516 HydrophobicContact CG2-CD1 4.5Å; V29-Y517 HydrophobicContact CG2-CD1 3.95Å; V29-Y517 HydrophobicContact CG2-CE1 3.91Å
30	Y	93.4	Very high	80.3	Confident	100 Å²	100	78.6 Å²	78.6	39%	0.392	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.3	168.6	-174.9	-90.1	0	0	0	108	T32 E476 E478	Y30-T32 HydrophobicContact CE1-CG2 4.03Å; Y30-E476 WeakPolarHBondContact CA-O 3.33Å; Y30-E476 HydrophobicContact CD2-CB 3.92Å; Y30-E476 HydrophobicContact CD2-CG 3.88Å; Y30-E476 HydrophobicContact CE2-CB 4.46Å; Y30-E476 HydrophobicContact CE2-CG 3.91Å; Y30-E478 HydrophobicContact CE1-CG 4.36Å; Y30-E478 VanDerWaalsContact OH-CG 3.27Å; Y30-E478 WeakPolarHBondContact OH-CG 3.21Å; Y30-E478 PolarHBondContact OH-OE1 3.41Å
31	L	94.9	Very high	83.4	Confident	18 Å²	18	69.9 Å²	69.9	9%	0.094	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.7	174.7	-62.7	178.9	0	0	0	109.3	V29 E35 L36 T39 E476 L477 E478 I516	V29-L31 HydrophobicContact CG1-CD2 4Å; V29-L31 HydrophobicContact CG1-CG 4Å; L31-E35 HydrophobicContact CD2-CB 4.26Å; L31-L36 HydrophobicContact CB-CB 4.24Å; L31-L36 HydrophobicContact CD1-CD1 4.12Å; L31-T39 HydrophobicContact CD1-CG2 4.04Å; L31-E476 PolarHBondContact N-O 2.84Å; L31-L477 HydrophobicContact CB-CD2 4.01Å; L31-L477 HydrophobicContact CD1-CD2 3.87Å; L31-L477 HydrophobicContact CG-CD2 4.13Å; L31-E478 PolarHBondContact O-N 2.72Å; L31-I516 HydrophobicContact CD1-CD1 4.1Å
32	T	96.1	Very high	86.6	Confident	46 Å²	46	67.9 Å²	67.9	28%	0.282	35%	0.346	S	S	.	.			trans	-66.1	166.1	167.2	61.4	0	0	0	0	110.8	Y30 D34 E35 L36 E478	Y30-T32 HydrophobicContact CE1-CG2 4.03Å; T32-D34 VanDerWaalsContact C-N 3.29Å; T32-D34 PolarHBondContact O-N 3.41Å; T32-E35 WeakPolarHBondContact CB-OE2 3.39Å; T32-E35 WeakPolarHBondContact CG2-OE2 3.33Å; T32-E35 PolarHBondContact N-OE2 2.78Å; T32-E35 PolarHBondContact O-N 3.36Å; T32-E35 WeakPolarHBondContact OG1-CB 3.49Å; T32-E35 VanDerWaalsContact OG1-CG 3.23Å; T32-E35 WeakPolarHBondContact OG1-CG 3.43Å; T32-E35 PolarHBondContact OG1-N 3.02Å; T32-E35 PolarHBondContact OG1-OE2 2.69Å; T32-L36 VanDerWaalsContact O-CB 3.3Å; T32-L36 WeakPolarHBondContact O-CB 3.45Å; T32-L36 PolarHBondContact O-N 2.82Å; T32-E478 WeakPolarHBondContact CA-OE2 3.04Å
33	F	95.4	Very high	89.5	Confident	21 Å²	21	66.4 Å²	66.4	9%	0.092	33%	0.328	C	S	.	.	H	α-helix	trans	-56.1	-42.6	-179.9	178.2	-98.7	0	0	0	113	R37 Y44 E478 K481	F33-R37 WeakPolarHBondContact O-CG 3.39Å; F33-R37 PolarHBondContact O-N 2.79Å; F33-Y44 HydrophobicContact CE2-CD2 4.49Å; F33-Y44 HydrophobicContact CE2-CG 4.37Å; F33-Y44 HydrophobicContact CZ-CD1 4.39Å; F33-Y44 HydrophobicContact CZ-CG 4.2Å; F33-E478 VanDerWaalsContact CA-O 3.31Å; F33-E478 WeakPolarHBondContact CA-O 3.19Å; F33-E478 HydrophobicContact CB-CB 4.48Å; F33-E478 PolarHBondContact N-OE2 3.49Å; F33-K481 HydrophobicContact CD1-CB 3.87Å; F33-K481 HydrophobicContact CD1-CG 4.35Å; F33-K481 HydrophobicContact CE1-CB 4.07Å; F33-K481 HydrophobicContact CG-CB 4.12Å
34	D	95.9	Very high	91.5	Very high	86 Å²	86	64.7 Å²	64.7	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-72	-44.5	-178.4	-66.5	-39.6	0	0	0	111.1	T32 L36 R37 E38	T32-D34 VanDerWaalsContact C-N 3.29Å; T32-D34 PolarHBondContact O-N 3.41Å; D34-L36 VanDerWaalsContact C-N 3.33Å; D34-L36 PolarHBondContact O-N 2.89Å; D34-R37 PolarHBondContact O-N 3.26Å; D34-E38 WeakPolarHBondContact O-CG 3.48Å; D34-E38 PolarHBondContact O-N 2.79Å
35	E	95.6	Very high	93.1	Very high	88 Å²	88	61.9 Å²	61.9	41%	0.411	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-40.8	174.8	-69.6	167	149	0	0	112.1	L31 T32 R37 E38 T39	L31-E35 HydrophobicContact CD2-CB 4.26Å; T32-E35 WeakPolarHBondContact CB-OE2 3.39Å; T32-E35 WeakPolarHBondContact CG2-OE2 3.33Å; T32-E35 PolarHBondContact N-OE2 2.78Å; T32-E35 PolarHBondContact O-N 3.36Å; T32-E35 WeakPolarHBondContact OG1-CB 3.49Å; T32-E35 VanDerWaalsContact OG1-CG 3.23Å; T32-E35 WeakPolarHBondContact OG1-CG 3.43Å; T32-E35 PolarHBondContact OG1-N 3.02Å; T32-E35 PolarHBondContact OG1-OE2 2.69Å; E35-R37 VanDerWaalsContact C-N 3.3Å; E35-R37 PolarHBondContact O-N 2.81Å; E35-E38 WeakPolarHBondContact O-CB 3.45Å; E35-E38 PolarHBondContact O-N 3.29Å; E35-T39 WeakPolarHBondContact O-CG2 3.41Å; E35-T39 PolarHBondContact O-N 2.97Å
36	L	96.3	Very high	94.2	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-42.2	177.3	177	64	0	0	0	110.9	L31 T32 D34 T39 S42 L477 V479	L31-L36 HydrophobicContact CB-CB 4.24Å; L31-L36 HydrophobicContact CD1-CD1 4.12Å; T32-L36 VanDerWaalsContact O-CB 3.3Å; T32-L36 WeakPolarHBondContact O-CB 3.45Å; T32-L36 PolarHBondContact O-N 2.82Å; D34-L36 VanDerWaalsContact C-N 3.33Å; D34-L36 PolarHBondContact O-N 2.89Å; L36-T39 PolarHBondContact O-N 3.08Å; L36-T39 PolarHBondContact O-OG1 2.85Å; L36-S42 PolarHBondContact O-OG 2.61Å; L36-L477 HydrophobicContact CD1-CD1 4.39Å; L36-L477 HydrophobicContact CD1-CD2 4.28Å; L36-L477 HydrophobicContact CD2-CB 4.36Å; L36-V479 HydrophobicContact CD2-CG1 4.31Å
37	R	94.5	Very high	94.8	Very high	140 Å²	140	58.4 Å²	58.4	53%	0.528	28%	0.277	S	S	.	.	H	α-helix	trans	-66.8	-37.4	176.3	-70.7	-176.7	68.7	-143.7	0.3	112.5	F33 D34 E35 T39 K40	F33-R37 WeakPolarHBondContact O-CG 3.39Å; F33-R37 PolarHBondContact O-N 2.79Å; D34-R37 PolarHBondContact O-N 3.26Å; E35-R37 VanDerWaalsContact C-N 3.3Å; E35-R37 PolarHBondContact O-N 2.81Å; R37-T39 PolarHBondContact O-N 2.95Å; R37-K40 PolarHBondContact O-N 3.11Å
38	E	95.6	Very high	94.8	Very high	152 Å²	152	60.1 Å²	60.1	71%	0.71	29%	0.288	S	S	*	.	H	α-helix	trans	-61	-29.3	176.4	-71.6	179.4	179.3	0	0	112.8	D34 E35 K40	D34-E38 WeakPolarHBondContact O-CG 3.48Å; D34-E38 PolarHBondContact O-N 2.79Å; E35-E38 WeakPolarHBondContact O-CB 3.45Å; E35-E38 PolarHBondContact O-N 3.29Å; E38-K40 PolarHBondContact O-N 3.22Å; E38-K40 VanDerWaalsContact O-N 3.17Å
39	T	94.5	Very high	94.6	Very high	23 Å²	23	68.2 Å²	68.2	14%	0.141	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.7	174.4	73.6	0	0	0	0	114	L31 E35 L36 R37 T41 I516	L31-T39 HydrophobicContact CD1-CG2 4.04Å; E35-T39 WeakPolarHBondContact O-CG2 3.41Å; E35-T39 PolarHBondContact O-N 2.97Å; L36-T39 PolarHBondContact O-N 3.08Å; L36-T39 PolarHBondContact O-OG1 2.85Å; R37-T39 PolarHBondContact O-N 2.95Å; T39-T41 WeakPolarHBondContact O-CG2 3.32Å; T39-T41 PolarHBondContact O-N 2.92Å; T39-T41 PolarHBondContact OG1-N 3.08Å; T39-T41 PolarHBondContact OG1-OG1 2.94Å; T39-I516 HydrophobicContact CG2-CG2 3.88Å
40	K	94.2	Very high	94.4	Very high	188 Å²	188	73.6 Å²	73.6	82%	0.817	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	30	-172.9	-52.8	-179	-178	179.6	0	113.5	R37 E38	R37-K40 PolarHBondContact O-N 3.11Å; E38-K40 PolarHBondContact O-N 3.22Å; E38-K40 VanDerWaalsContact O-N 3.17Å
41	T	94.8	Very high	94.3	Very high	25 Å²	25	71.9 Å²	71.9	15%	0.153	35%	0.351	C	S	.	.			trans	-116.1	11.1	177.1	68.3	0	0	0	0	113.3	T39 S510 R513	T39-T41 WeakPolarHBondContact O-CG2 3.32Å; T39-T41 PolarHBondContact O-N 2.92Å; T39-T41 PolarHBondContact OG1-N 3.08Å; T39-T41 PolarHBondContact OG1-OG1 2.94Å; T41-S510 PolarHBondContact O-N 2.7Å; T41-R513 HydrophobicContact CG2-CG 3.6Å; T41-R513 WeakPolarHBondContact OG1-CD 3.44Å; T41-R513 WeakPolarHBondContact OG1-CG 3.43Å
42	S	96.1	Very high	94.3	Very high	12 Å²	12	72.1 Å²	72.1	8%	0.084	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.5	174.7	67.7	0	0	0	0	111.5	L36 Q508	L36-S42 PolarHBondContact O-OG 2.61Å; S42-Q508 CarbonylContact C-O 3.54Å; S42-Q508 WeakPolarHBondContact CA-O 3.27Å; S42-Q508 WeakPolarHBondContact CB-O 3.44Å
43	E	96.5	Very high	94.2	Very high	74 Å²	74	70.8 Å²	70.8	35%	0.346	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.7	168.8	-69.5	-66.3	155.5	0	0	108.9	I82 S83 S507 Q508	E43-I82 HydrophobicContact CB-CD1 4.36Å; E43-I82 HydrophobicContact CB-CG1 3.85Å; E43-S83 PolarHBondContact OE2-OG 3.08Å; E43-S507 CarbonylContact O-C 3.59Å; E43-S507 WeakPolarHBondContact O-CA 3.28Å; E43-Q508 HydrophobicContact CB-CB 4.27Å; E43-Q508 PolarHBondContact N-O 2.73Å; E43-Q508 PolarHBondContact O-N 2.89Å
44	Y	95.8	Very high	94.2	Very high	73 Å²	73	69.8 Å²	69.8	29%	0.286	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.3	178.2	174.4	-104.7	0	0	0	109.8	F33 F480 E504 S507	F33-Y44 HydrophobicContact CE2-CD2 4.49Å; F33-Y44 HydrophobicContact CE2-CG 4.37Å; F33-Y44 HydrophobicContact CZ-CD1 4.39Å; F33-Y44 HydrophobicContact CZ-CG 4.2Å; Y44-F480 HydrophobicContact CD2-CD1 4.39Å; Y44-F480 AromaticContact CE2-CD1 3.81Å; Y44-F480 HydrophobicContact CE2-CD1 3.81Å; Y44-F480 HydrophobicContact CE2-CE1 4.02Å; Y44-E504 PolarHBondContact OH-O 3.4Å; Y44-S507 WeakPolarHBondContact CD2-OG 3.26Å
45	F	96.6	Very high	94.2	Very high	24 Å²	24	68.9 Å²	68.9	11%	0.105	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.2	177.1	-177.8	-90	0	0	0	110.8	L47 L75 L77 I82 P86 G505 V506	F45-L47 HydrophobicContact CE1-CB 4.45Å; F45-L75 HydrophobicContact CE1-CD1 3.85Å; F45-L77 HydrophobicContact CB-CD1 4.43Å; F45-L77 HydrophobicContact CD1-CD1 3.84Å; F45-L77 HydrophobicContact CD1-CD2 3.93Å; F45-L77 HydrophobicContact CD2-CD2 4.33Å; F45-L77 HydrophobicContact CE1-CD1 4.43Å; F45-L77 HydrophobicContact CE1-CD2 3.81Å; F45-L77 HydrophobicContact CE2-CD2 4.21Å; F45-L77 HydrophobicContact CG-CD1 4.16Å; F45-L77 HydrophobicContact CG-CD2 4.19Å; F45-L77 HydrophobicContact CZ-CD2 3.95Å; F45-I82 HydrophobicContact CB-CB 4.43Å; F45-I82 HydrophobicContact CB-CD1 3.79Å; F45-I82 HydrophobicContact CB-CG1 4.1Å; F45-P86 HydrophobicContact CD2-CB 4.49Å; F45-P86 HydrophobicContact CE2-CB 3.59Å; F45-P86 HydrophobicContact CE2-CG 3.77Å; F45-P86 HydrophobicContact CZ-CB 3.79Å; F45-P86 HydrophobicContact CZ-CG 4.29Å; F45-G505 WeakPolarHBondContact O-CA 3.47Å; F45-V506 PolarHBondContact N-O 2.9Å; F45-V506 PolarHBondContact O-N 3.04Å
46	S	95.7	Very high	94.2	Very high	35 Å²	35	66.3 Å²	66.3	25%	0.245	32%	0.317	C	S	.	.			trans	-141	140.4	162.3	-178.2	0	0	0	0	109.6	S48 Y54 E504	S46-S48 PolarHBondContact OG-N 2.88Å; S46-S48 PolarHBondContact OG-O 3.38Å; S46-Y54 PolarHBondContact OG-OH 3.34Å; S46-E504 PolarHBondContact OG-O 3.23Å; S46-E504 VanDerWaalsContact OG-O 3.07Å
47	L	94.1	Very high	94.3	Very high	65 Å²	65	66.6 Å²	66.6	34%	0.34	32%	0.319	S	S	.	.	S	Bend	trans	-74.7	-29.3	174.9	-171.9	72.4	0	0	0	112.5	F45 L52 Y54 H73 L75	F45-L47 HydrophobicContact CE1-CB 4.45Å; L47-L52 HydrophobicContact CB-CD1 4.15Å; L47-L52 HydrophobicContact CD2-CD1 4.05Å; L47-Y54 PolarHBondContact N-OH 3.39Å; L47-H73 HydrophobicContact CD2-CB 4.1Å; L47-H73 WeakPolarHBondContact CD2-CD2 3.03Å; L47-L75 HydrophobicContact CD1-CD2 4.33Å; L47-L75 HydrophobicContact CD2-CD2 4.22Å
48	S	90.9	Very high	94.4	Very high	46 Å²	46	61.3 Å²	61.3	32%	0.322	30%	0.301	S	S	.	.			trans	-141.8	157.5	-172.9	-178	0	0	0	0	111.7	S46 H50	S46-S48 PolarHBondContact OG-N 2.88Å; S46-S48 PolarHBondContact OG-O 3.38Å; S48-H50 PolarHBondContact O-N 2.89Å; S48-H50 PolarHBondContact OG-N 2.89Å; S48-H50 VanDerWaalsContact OG-N 3.14Å
49	H	86.6	Confident	94.4	Very high	190 Å²	190	56.1 Å²	56.1	88%	0.88	28%	0.277	S	S	*	.	S	Bend	trans	-72	-17.8	168.7	-65.8	-64.4	0	0	0	112.7
50	H	88.8	Confident	94.4	Very high	137 Å²	137	55.9 Å²	55.9	63%	0.634	28%	0.275	S	S	*	.	S	Bend	trans	-94	146.5	175.4	-64	-55.4	0	0	0	111.3	S48 L52	S48-H50 PolarHBondContact O-N 2.89Å; S48-H50 PolarHBondContact OG-N 2.89Å; S48-H50 VanDerWaalsContact OG-N 3.14Å; H50-L52 PolarHBondContact O-N 3.01Å
51	P	91.6	Very high	94.3	Very high	64 Å²	64	49.8 Å²	49.8	42%	0.416	25%	0.25	S	C	.	.			trans	-63.5	129.2	178.8	-21	33.4	0	0	0	111.5	N503 E504	P51-N503 CarbonylContact C-O 3.55Å; P51-N503 VanDerWaalsContact CA-O 3.24Å; P51-N503 WeakPolarHBondContact CA-O 3.33Å; P51-N503 HydrophobicContact CB-CB 4.19Å; P51-N503 WeakPolarHBondContact CB-O 3.31Å; P51-E504 VanDerWaalsContact CG-OE1 3.26Å; P51-E504 WeakPolarHBondContact CG-OE1 3.39Å
52	L	93.8	Very high	94	Very high	23 Å²	23	54.7 Å²	54.7	12%	0.12	28%	0.275	C	S	.	.			trans	-115.3	10.3	-178.9	-65.7	-179.9	0	0	0	113.2	L47 H50 Y54 S70 K71 N503	L47-L52 HydrophobicContact CB-CD1 4.15Å; L47-L52 HydrophobicContact CD2-CD1 4.05Å; H50-L52 PolarHBondContact O-N 3.01Å; L52-Y54 HydrophobicContact CB-CE2 3.91Å; L52-S70 CarbonylContact O-C 3.57Å; L52-S70 VanDerWaalsContact O-CB 3.31Å; L52-S70 WeakPolarHBondContact O-CB 3.46Å; L52-K71 HydrophobicContact CB-CB 4.49Å; L52-K71 HydrophobicContact CD2-CB 4.47Å; L52-K71 VanDerWaalsContact O-CB 3.26Å; L52-K71 WeakPolarHBondContact O-CB 3.46Å; L52-K71 PolarHBondContact O-N 3.17Å; L52-N503 PolarHBondContact N-O 2.93Å
53	D	94.5	Very high	93.8	Very high	17 Å²	17	54.4 Å²	54.4	9%	0.091	27%	0.272	C	S	.	.			trans	55.8	62.6	176.3	-174.7	47.6	0	0	0	113.5	R55 S70 F115 R117 N503	D53-R55 VanDerWaalsContact C-N 3.31Å; D53-R55 PolarHBondContact O-N 2.97Å; D53-R55 IonicContact OD1-CZ 3.95Å; D53-R55 VanDerWaalsContact OD1-CZ 3.29Å; D53-R55 IonicContact OD1-NE 3.8Å; D53-R55 PolarHBondContact OD1-NE 3.31Å; D53-R55 IonicContact OD1-NH2 2.66Å; D53-R55 PolarHBondContact OD1-NH2 3.48Å; D53-R55 IonicContact OD2-NE 3.81Å; D53-S70 WeakPolarHBondContact O-CA 3.27Å; D53-F115 HydrophobicContact CB-CD1 4.2Å; D53-F115 HydrophobicContact CB-CE1 4.13Å; D53-F115 WeakPolarHBondContact OD2-CD1 3.23Å; D53-R117 IonicContact OD2-CZ 3.48Å; D53-R117 IonicContact OD2-NH1 2.76Å; D53-R117 PolarHBondContact OD2-NH1 2.64Å; D53-R117 IonicContact OD2-NH2 2.81Å; D53-R117 PolarHBondContact OD2-NH2 2.86Å; D53-N503 PolarHBondContact N-O 2.53Å; D53-N503 VanDerWaalsContact N-O 3.09Å
54	Y	96.8	Very high	93.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.268	C	S	.	.			trans	-69.8	87.9	176.4	-55.2	-101.6	0	0	0	109.4	S46 L47 L52 V68 L75 T487 S501 S502 E504 G505 V506	S46-Y54 PolarHBondContact OG-OH 3.34Å; L47-Y54 PolarHBondContact N-OH 3.39Å; L52-Y54 HydrophobicContact CB-CE2 3.91Å; Y54-V68 HydrophobicContact CD1-CG1 3.83Å; Y54-V68 HydrophobicContact CG-CG1 4.43Å; Y54-L75 HydrophobicContact CD1-CD1 4.08Å; Y54-L75 HydrophobicContact CE1-CD1 3.7Å; Y54-T487 PolarHBondContact O-OG1 3.35Å; Y54-S501 VanDerWaalsContact O-CB 3.23Å; Y54-S501 WeakPolarHBondContact O-CB 3.27Å; Y54-S501 PolarHBondContact O-OG 3.45Å; Y54-S502 VanDerWaalsContact CB-O 3.31Å; Y54-S502 WeakPolarHBondContact CB-O 3.48Å; Y54-S502 PolarHBondContact N-O 2.04Å; Y54-S502 VanDerWaalsContact N-O 3.08Å; Y54-E504 VanDerWaalsContact CE2-C 3.41Å; Y54-E504 VanDerWaalsContact CE2-O 3.25Å; Y54-E504 WeakPolarHBondContact CE2-O 3.29Å; Y54-G505 VanDerWaalsContact CD2-CA 3.42Å; Y54-G505 VanDerWaalsContact CD2-N 3.31Å; Y54-G505 VanDerWaalsContact CE2-CA 3.44Å; Y54-V506 HydrophobicContact CD1-CG2 4.05Å; Y54-V506 HydrophobicContact CG-CG2 4.29Å
55	R	94.3	Very high	93.5	Very high	68 Å²	68	50.3 Å²	50.3	26%	0.257	26%	0.256	S	S	.	.			trans	-100.6	-39.3	-165.1	-171.5	62.2	61.6	148.7	2.5	113.1	D53 G69 T488	D53-R55 VanDerWaalsContact C-N 3.31Å; D53-R55 PolarHBondContact O-N 2.97Å; D53-R55 IonicContact OD1-CZ 3.95Å; D53-R55 VanDerWaalsContact OD1-CZ 3.29Å; D53-R55 IonicContact OD1-NE 3.8Å; D53-R55 PolarHBondContact OD1-NE 3.31Å; D53-R55 IonicContact OD1-NH2 2.66Å; D53-R55 PolarHBondContact OD1-NH2 3.48Å; D53-R55 IonicContact OD2-NE 3.81Å; R55-G69 PolarHBondContact N-O 3.02Å; R55-T488 PolarHBondContact O-OG1 3.1Å
56	I	96.6	Very high	93.6	Very high	33 Å²	33	49.1 Å²	49.1	17%	0.169	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128	-175	-54.9	-57.6	0	0	0	109.4	V68 G69 R117 I119	I56-V68 VanDerWaalsContact O-CA 3.27Å; I56-V68 WeakPolarHBondContact O-CA 3.29Å; I56-G69 PolarHBondContact N-O 2.93Å; I56-G69 PolarHBondContact O-N 2.87Å; I56-R117 VanDerWaalsContact CD1-O 3.24Å; I56-R117 WeakPolarHBondContact CD1-O 3.19Å; I56-I119 HydrophobicContact CB-CD1 4.32Å; I56-I119 HydrophobicContact CB-CG1 4.45Å; I56-I119 HydrophobicContact CG2-CB 3.98Å; I56-I119 HydrophobicContact CG2-CD1 4.05Å; I56-I119 HydrophobicContact CG2-CG1 3.91Å
57	L	97.4	Very high	93.7	Very high	9 Å²	9	47.6 Å²	47.6	5%	0.047	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	107.4	170.5	-63.8	-176.4	0	0	0	108.9	I66 V68 T488 K490 V506	L57-I66 HydrophobicContact CB-CD1 4.28Å; L57-I66 HydrophobicContact CD2-CD1 4.24Å; L57-V68 HydrophobicContact CD2-CB 4.35Å; L57-V68 HydrophobicContact CD2-CG1 3.94Å; L57-V68 HydrophobicContact CD2-CG2 3.81Å; L57-T488 HydrophobicContact CB-CG2 3.89Å; L57-T488 HydrophobicContact CD1-CG2 3.97Å; L57-T488 HydrophobicContact CG-CG2 3.89Å; L57-K490 HydrophobicContact CB-CG 3.92Å; L57-V506 HydrophobicContact CD2-CG1 4.49Å; L57-V506 HydrophobicContact CD2-CG2 4.33Å
58	L	97.3	Very high	93.9	Very high	30 Å²	30	44.5 Å²	44.5	16%	0.157	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	107	171.3	178.8	71.1	0	0	0	108.6	Y67 I119 T121 L127	L58-Y67 HydrophobicContact CD2-CD2 4.21Å; L58-Y67 HydrophobicContact CG-CD2 4.45Å; L58-Y67 PolarHBondContact N-O 2.78Å; L58-Y67 PolarHBondContact O-N 2.83Å; L58-I119 HydrophobicContact CB-CB 4.37Å; L58-I119 HydrophobicContact CB-CG2 4.16Å; L58-I119 HydrophobicContact CD2-CB 4.35Å; L58-I119 HydrophobicContact CD2-CG2 3.58Å; L58-T121 HydrophobicContact CD2-CG2 4.11Å; L58-L127 HydrophobicContact CD2-CD2 3.97Å
59	M	95.9	Very high	94.2	Very high	42 Å²	42	42.3 Å²	42.3	21%	0.207	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.9	177	-176.2	179.2	-71.2	0	0	110.3	E61 I79 K490 Y499	M59-E61 HydrophobicContact CG-CG 4.17Å; M59-E61 HydrophobicContact SD-CG 4.1Å; M59-I79 HydrophobicContact CE-CD1 4.22Å; M59-I79 HydrophobicContact CG-CD1 3.65Å; M59-I79 HydrophobicContact SD-CD1 3.89Å; M59-K490 HydrophobicContact CE-CB 3.88Å; M59-Y499 HydrophobicContact CE-CD2 3.24Å; M59-Y499 HydrophobicContact CE-CE2 3.41Å; M59-Y499 VanDerWaalsContact CE-CE2 3.41Å; M59-Y499 HydrophobicContact CE-CG 4.29Å
60	D	94.2	Very high	94.7	Very high	18 Å²	18	33.3 Å²	33.3	10%	0.096	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	94.5	172.4	-170.3	-32.3	0	0	0	109.3	D62 Q63 D64 R65 Y67 R144	D60-D62 PolarHBondContact O-N 3.43Å; D60-D62 WeakPolarHBondContact OD1-CB 3.5Å; D60-D62 PolarHBondContact OD1-N 2.9Å; D60-Q63 HydrophobicContact CB-CB 4.3Å; D60-Q63 PolarHBondContact O-N 3.07Å; D60-Q63 PolarHBondContact OD1-N 2.92Å; D60-D64 PolarHBondContact O-N 2.84Å; D60-D64 VanDerWaalsContact O-N 3.11Å; D60-R65 CarbonylContact C-O 3.55Å; D60-R65 PolarHBondContact N-O 3.48Å; D60-R65 PolarHBondContact O-N 3.17Å; D60-R65 VanDerWaalsContact O-N 3.11Å; D60-R65 VanDerWaalsContact O-O 3.09Å; D60-Y67 HydrophobicContact CB-CE2 3.89Å; D60-R144 IonicContact OD2-CZ 2.78Å; D60-R144 VanDerWaalsContact OD2-CZ 3.27Å; D60-R144 IonicContact OD2-NH1 2.73Å; D60-R144 PolarHBondContact OD2-NH1 3.2Å; D60-R144 IonicContact OD2-NH2 3.9Å; D60-R144 PolarHBondContact OD2-NH2 3.37Å
61	E	91.6	Very high	95	Very high	61 Å²	61	28.8 Å²	28.8	29%	0.285	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.3	179.3	-62.1	-165.8	149.1	0	0	113.3	M59 Q63 I79 S492	M59-E61 HydrophobicContact CG-CG 4.17Å; M59-E61 HydrophobicContact SD-CG 4.1Å; E61-Q63 VanDerWaalsContact C-N 3.35Å; E61-I79 HydrophobicContact CG-CD1 4.22Å; E61-S492 VanDerWaalsContact OE1-CB 3.28Å; E61-S492 WeakPolarHBondContact OE1-CB 3.38Å; E61-S492 PolarHBondContact OE1-OG 2.89Å
62	D	89.9	Confident	95.2	Very high	127 Å²	127	27 Å²	27	68%	0.679	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.2	177.7	-69.6	-23.6	0	0	0	111.9	D60	D60-D62 PolarHBondContact O-N 3.43Å; D60-D62 WeakPolarHBondContact OD1-CB 3.5Å; D60-D62 PolarHBondContact OD1-N 2.9Å
63	Q	90.3	Very high	95.4	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.033	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-0.8	172.2	-66.9	-61.8	-88.5	0	0	113.1	D60 E61 R65 R146 S148	D60-Q63 HydrophobicContact CB-CB 4.3Å; D60-Q63 PolarHBondContact O-N 3.07Å; D60-Q63 PolarHBondContact OD1-N 2.92Å; E61-Q63 VanDerWaalsContact C-N 3.35Å; Q63-R65 HydrophobicContact CB-CB 4.3Å; Q63-R65 HydrophobicContact CB-CG 4.37Å; Q63-R65 WeakPolarHBondContact O-CG 3.19Å; Q63-R65 PolarHBondContact O-N 2.77Å; Q63-R65 VanDerWaalsContact O-N 3.12Å; Q63-R146 PolarHBondContact NE2-O 2.82Å; Q63-R146 PolarHBondContact OE1-O 3.46Å; Q63-S148 VanDerWaalsContact O-CB 3.29Å; Q63-S148 WeakPolarHBondContact O-CB 3.48Å
64	D	92.8	Very high	95.5	Very high	49 Å²	49	26.8 Å²	26.8	26%	0.262	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	34.1	-172	-85.9	-7.3	0	0	0	112.6	D60 I79 N80 K495	D60-D64 PolarHBondContact O-N 2.84Å; D60-D64 VanDerWaalsContact O-N 3.11Å; D64-I79 HydrophobicContact CB-CG2 3.89Å; D64-I79 WeakPolarHBondContact O-CG2 3.38Å; D64-I79 PolarHBondContact O-N 3.44Å; D64-N80 PolarHBondContact OD2-ND2 2.8Å; D64-K495 WeakPolarHBondContact OD1-CE 3.47Å; D64-K495 IonicContact OD1-NZ 2.93Å; D64-K495 PolarHBondContact OD1-NZ 2.9Å; D64-K495 IonicContact OD2-NZ 3.34Å; D64-K495 PolarHBondContact OD2-NZ 2.82Å
65	R	94.7	Very high	95.6	Very high	11 Å²	11	26.8 Å²	26.8	4%	0.042	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.8	-178	-68.8	-68.1	-172.8	164.1	-6.7	111.1	D60 Q63 Y67 S76 L77 E85	D60-R65 CarbonylContact C-O 3.55Å; D60-R65 PolarHBondContact N-O 3.48Å; D60-R65 PolarHBondContact O-N 3.17Å; D60-R65 VanDerWaalsContact O-N 3.11Å; D60-R65 VanDerWaalsContact O-O 3.09Å; Q63-R65 HydrophobicContact CB-CB 4.3Å; Q63-R65 HydrophobicContact CB-CG 4.37Å; Q63-R65 WeakPolarHBondContact O-CG 3.19Å; Q63-R65 PolarHBondContact O-N 2.77Å; Q63-R65 VanDerWaalsContact O-N 3.12Å; R65-Y67 HydrophobicContact CB-CE1 4.36Å; R65-Y67 HydrophobicContact CB-CE2 4.35Å; R65-S76 WeakPolarHBondContact CD-OG 3.13Å; R65-S76 PolarHBondContact NH1-O 2.83Å; R65-L77 CarbonylContact C-O 3.49Å; R65-L77 VanDerWaalsContact CA-O 3.27Å; R65-L77 WeakPolarHBondContact CA-O 3.35Å; R65-L77 WeakPolarHBondContact CD-O 3.25Å; R65-E85 PolarHBondContact NH1-O 2.91Å
66	I	97.1	Very high	95.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.2	165.3	-170.9	168.9	0	0	0	108.6	L57 L77 I82 Y499	L57-I66 HydrophobicContact CB-CD1 4.28Å; L57-I66 HydrophobicContact CD2-CD1 4.24Å; I66-L77 HydrophobicContact CG2-CB 3.81Å; I66-L77 PolarHBondContact N-O 2.85Å; I66-L77 PolarHBondContact O-N 2.79Å; I66-I82 HydrophobicContact CG2-CG2 4.42Å; I66-Y499 HydrophobicContact CD1-CD1 4.04Å; I66-Y499 HydrophobicContact CD1-CD2 4.28Å; I66-Y499 HydrophobicContact CD1-CG 3.75Å
67	Y	97.9	Very high	95.7	Very high	3 Å²	3	22.2 Å²	22.2	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.5	179	-54.6	-76.4	0	0	0	110	L58 D60 R65 L75 L127 R144 F153	L58-Y67 HydrophobicContact CD2-CD2 4.21Å; L58-Y67 HydrophobicContact CG-CD2 4.45Å; L58-Y67 PolarHBondContact N-O 2.78Å; L58-Y67 PolarHBondContact O-N 2.83Å; D60-Y67 HydrophobicContact CB-CE2 3.89Å; R65-Y67 HydrophobicContact CB-CE1 4.36Å; R65-Y67 HydrophobicContact CB-CE2 4.35Å; Y67-L75 CarbonylContact C-O 3.55Å; Y67-L75 VanDerWaalsContact CA-O 3.23Å; Y67-L75 WeakPolarHBondContact CA-O 3.37Å; Y67-L127 HydrophobicContact CD1-CD1 3.55Å; Y67-L127 HydrophobicContact CD2-CD1 3.69Å; Y67-L127 HydrophobicContact CD2-CD2 4.43Å; Y67-L127 HydrophobicContact CE1-CD1 3.72Å; Y67-L127 HydrophobicContact CE2-CD1 3.86Å; Y67-L127 HydrophobicContact CE2-CD2 4.33Å; Y67-L127 HydrophobicContact CG-CD1 3.53Å; Y67-R144 HydrophobicContact CE1-CB 4.35Å; Y67-R144 VanDerWaalsContact CE2-NH1 3.34Å; Y67-R144 WeakPolarHBondContact OH-CD 3.46Å; Y67-F153 AromaticContact CD1-CE2 3.72Å; Y67-F153 HydrophobicContact CD1-CE2 3.72Å; Y67-F153 HydrophobicContact CD1-CZ 4.07Å; Y67-F153 HydrophobicContact CE1-CD2 4.43Å; Y67-F153 AromaticContact CE1-CE2 3.74Å; Y67-F153 HydrophobicContact CE1-CE2 3.74Å; Y67-F153 HydrophobicContact CE1-CZ 4.5Å
68	V	98.4	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.1	-175.4	-168.2	0	0	0	0	110.2	Y54 I56 L57 I74 L75 L77 V506	Y54-V68 HydrophobicContact CD1-CG1 3.83Å; Y54-V68 HydrophobicContact CG-CG1 4.43Å; I56-V68 VanDerWaalsContact O-CA 3.27Å; I56-V68 WeakPolarHBondContact O-CA 3.29Å; L57-V68 HydrophobicContact CD2-CB 4.35Å; L57-V68 HydrophobicContact CD2-CG1 3.94Å; L57-V68 HydrophobicContact CD2-CG2 3.81Å; V68-I74 WeakPolarHBondContact O-CA 3.43Å; V68-L75 HydrophobicContact CB-CB 4.04Å; V68-L75 HydrophobicContact CB-CD1 4.22Å; V68-L75 HydrophobicContact CB-CG 4.47Å; V68-L75 PolarHBondContact N-O 2.99Å; V68-L75 PolarHBondContact O-N 3.22Å; V68-L77 HydrophobicContact CG2-CD1 3.81Å; V68-L77 HydrophobicContact CG2-CG 4.24Å; V68-V506 HydrophobicContact CG1-CG2 3.97Å; V68-V506 HydrophobicContact CG2-CG2 4.22Å
69	G	97.8	Very high	95.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.3	172.1	0	0	0	0	0	110.7	R55 I56	R55-G69 PolarHBondContact N-O 3.02Å; I56-G69 PolarHBondContact N-O 2.93Å; I56-G69 PolarHBondContact O-N 2.87Å
70	S	96.5	Very high	95.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.			trans	-133.3	-173.7	177	68.9	0	0	0	0	111.2	L52 D53 D72 H73 V116	L52-S70 CarbonylContact O-C 3.57Å; L52-S70 VanDerWaalsContact O-CB 3.31Å; L52-S70 WeakPolarHBondContact O-CB 3.46Å; D53-S70 WeakPolarHBondContact O-CA 3.27Å; S70-D72 PolarHBondContact O-N 2.77Å; S70-H73 PolarHBondContact N-O 3.23Å; S70-H73 PolarHBondContact OG-O 2.91Å; S70-V116 WeakPolarHBondContact O-CG2 3.4Å; S70-V116 PolarHBondContact O-N 3.07Å
71	K	95.9	Very high	95.4	Very high	42 Å²	42	24.5 Å²	24.5	18%	0.183	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-68.5	120.1	174.5	-175.2	-173	175	-176.1	0	109.4	L52 H73 T109 F115	L52-K71 HydrophobicContact CB-CB 4.49Å; L52-K71 HydrophobicContact CD2-CB 4.47Å; L52-K71 VanDerWaalsContact O-CB 3.26Å; L52-K71 WeakPolarHBondContact O-CB 3.46Å; L52-K71 PolarHBondContact O-N 3.17Å; K71-H73 PolarHBondContact O-N 3.02Å; K71-H73 PolarHBondContact O-ND1 2.88Å; K71-T109 PolarHBondContact NZ-O 3.47Å; K71-F115 HydrophobicContact CB-CD1 4.01Å; K71-F115 HydrophobicContact CB-CE1 3.85Å; K71-F115 HydrophobicContact CB-CZ 4.39Å; K71-F115 HydrophobicContact CD-CE1 3.92Å; K71-F115 HydrophobicContact CD-CE2 4.4Å; K71-F115 HydrophobicContact CD-CZ 3.7Å; K71-F115 HydrophobicContact CG-CD1 4.21Å; K71-F115 HydrophobicContact CG-CE1 3.82Å; K71-F115 HydrophobicContact CG-CE2 4.27Å; K71-F115 HydrophobicContact CG-CZ 3.84Å
72	D	95.9	Very high	95.7	Very high	28 Å²	28	21.6 Å²	21.6	15%	0.15	11%	0.112	C	C	.	.	S	Bend	trans	59.1	7.7	178.6	-53.6	-48.8	0	0	0	114.5	S70 F90 W91 P92 N114	S70-D72 PolarHBondContact O-N 2.77Å; D72-F90 HydrophobicContact CB-CD2 4.25Å; D72-F90 HydrophobicContact CB-CE2 3.78Å; D72-F90 CarbonylContact O-C 3.56Å; D72-F90 VanDerWaalsContact O-CD2 3.27Å; D72-F90 WeakPolarHBondContact O-CD2 3.35Å; D72-W91 CarbonylContact O-C 3.22Å; D72-W91 PolarHBondContact O-N 3.47Å; D72-P92 HydrophobicContact CB-CB 4.12Å; D72-P92 WeakPolarHBondContact OD1-CA 3.36Å; D72-N114 WeakPolarHBondContact CA-O 3.36Å; D72-N114 PolarHBondContact N-O 3.1Å; D72-N114 WeakPolarHBondContact OD1-CB 3.1Å; D72-N114 PolarHBondContact OD1-N 2.76Å
73	H	97	Very high	95.8	Very high	34 Å²	34	18 Å²	18	16%	0.157	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	147.8	-176.9	-59.4	79.4	0	0	0	112.5	L47 S70 K71 L75 V89 F90	L47-H73 HydrophobicContact CD2-CB 4.1Å; L47-H73 WeakPolarHBondContact CD2-CD2 3.03Å; S70-H73 PolarHBondContact N-O 3.23Å; S70-H73 PolarHBondContact OG-O 2.91Å; K71-H73 PolarHBondContact O-N 3.02Å; K71-H73 PolarHBondContact O-ND1 2.88Å; H73-L75 HydrophobicContact CB-CD2 4.45Å; H73-V89 VanDerWaalsContact CA-O 3.3Å; H73-V89 WeakPolarHBondContact CA-O 3.37Å; H73-F90 AromaticContact CD2-CD2 3.78Å; H73-F90 AromaticContact CE1-CD2 3.47Å; H73-F90 VanDerWaalsContact CE1-CD2 3.47Å; H73-F90 WeakPolarHBondContact CE1-CD2 3.26Å; H73-F90 AromaticContact CE1-CE2 3.73Å; H73-F90 AromaticContact NE2-CD2 3.28Å; H73-F90 VanDerWaalsContact NE2-CD2 3.28Å; H73-F90 WeakPolarHBondContact NE2-CD2 3.41Å; H73-F90 AromaticContact NE2-CE2 3.94Å
74	I	98	Very high	95.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.3	167	-51.2	156	0	0	0	106.8	V68 S88 V89 W91 V116 I119 V129 L142 F153	V68-I74 WeakPolarHBondContact O-CA 3.43Å; I74-S88 WeakPolarHBondContact O-CA 3.44Å; I74-V89 PolarHBondContact N-O 2.6Å; I74-V89 PolarHBondContact O-N 3.13Å; I74-W91 HydrophobicContact CD1-CD2 4.39Å; I74-W91 HydrophobicContact CD1-CE3 3.77Å; I74-W91 HydrophobicContact CD1-CZ3 4.4Å; I74-W91 HydrophobicContact CG1-CE3 4.38Å; I74-V116 HydrophobicContact CG1-CG2 3.84Å; I74-I119 HydrophobicContact CG2-CD1 4.22Å; I74-V129 HydrophobicContact CD1-CB 4.31Å; I74-V129 HydrophobicContact CD1-CG1 3.68Å; I74-V129 HydrophobicContact CD1-CG2 4.44Å; I74-V129 HydrophobicContact CG1-CG1 4.11Å; I74-L142 HydrophobicContact CD1-CD2 4.44Å; I74-L142 HydrophobicContact CG2-CD2 3.83Å; I74-F153 HydrophobicContact CG2-CE1 4.47Å; I74-F153 HydrophobicContact CG2-CZ 3.93Å; I74-F153 WeakPolarHBondContact O-CE1 3.38Å
75	L	97.5	Very high	95.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.4	-176.2	-48.3	171.1	0	0	0	110.9	F45 L47 Y54 Y67 V68 H73 L77 L87 S88	F45-L75 HydrophobicContact CE1-CD1 3.85Å; L47-L75 HydrophobicContact CD1-CD2 4.33Å; L47-L75 HydrophobicContact CD2-CD2 4.22Å; Y54-L75 HydrophobicContact CD1-CD1 4.08Å; Y54-L75 HydrophobicContact CE1-CD1 3.7Å; Y67-L75 CarbonylContact C-O 3.55Å; Y67-L75 VanDerWaalsContact CA-O 3.23Å; Y67-L75 WeakPolarHBondContact CA-O 3.37Å; V68-L75 HydrophobicContact CB-CB 4.04Å; V68-L75 HydrophobicContact CB-CD1 4.22Å; V68-L75 HydrophobicContact CB-CG 4.47Å; V68-L75 PolarHBondContact N-O 2.99Å; V68-L75 PolarHBondContact O-N 3.22Å; H73-L75 HydrophobicContact CB-CD2 4.45Å; L75-L77 HydrophobicContact CB-CD2 4.33Å; L75-L77 HydrophobicContact CB-CG 4.49Å; L75-L87 CarbonylContact C-O 3.59Å; L75-L87 WeakPolarHBondContact CA-O 2.92Å; L75-S88 VanDerWaalsContact CD2-CB 3.48Å
76	S	97	Very high	95.7	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.028	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	108.1	169.4	172.5	0	0	0	0	108.2	R65 L87	R65-S76 WeakPolarHBondContact CD-OG 3.13Å; R65-S76 PolarHBondContact NH1-O 2.83Å; S76-L87 PolarHBondContact N-O 2.99Å; S76-L87 PolarHBondContact O-N 2.86Å
77	L	96.8	Very high	95.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	148.5	-177.3	-49.5	178.2	0	0	0	109.5	F45 R65 I66 V68 L75 I82 P86	F45-L77 HydrophobicContact CB-CD1 4.43Å; F45-L77 HydrophobicContact CD1-CD1 3.84Å; F45-L77 HydrophobicContact CD1-CD2 3.93Å; F45-L77 HydrophobicContact CD2-CD2 4.33Å; F45-L77 HydrophobicContact CE1-CD1 4.43Å; F45-L77 HydrophobicContact CE1-CD2 3.81Å; F45-L77 HydrophobicContact CE2-CD2 4.21Å; F45-L77 HydrophobicContact CG-CD1 4.16Å; F45-L77 HydrophobicContact CG-CD2 4.19Å; F45-L77 HydrophobicContact CZ-CD2 3.95Å; R65-L77 CarbonylContact C-O 3.49Å; R65-L77 VanDerWaalsContact CA-O 3.27Å; R65-L77 WeakPolarHBondContact CA-O 3.35Å; R65-L77 WeakPolarHBondContact CD-O 3.25Å; I66-L77 HydrophobicContact CG2-CB 3.81Å; I66-L77 PolarHBondContact N-O 2.85Å; I66-L77 PolarHBondContact O-N 2.79Å; V68-L77 HydrophobicContact CG2-CD1 3.81Å; V68-L77 HydrophobicContact CG2-CG 4.24Å; L75-L77 HydrophobicContact CB-CD2 4.33Å; L75-L77 HydrophobicContact CB-CG 4.49Å; L77-I82 HydrophobicContact CB-CB 4.28Å; L77-I82 HydrophobicContact CB-CG2 4.29Å; L77-I82 HydrophobicContact CD1-CB 4.23Å; L77-I82 HydrophobicContact CD1-CG2 4.46Å; L77-P86 HydrophobicContact CD2-CB 3.68Å
78	N	95.2	Very high	95.5	Very high	25 Å²	25	31.2 Å²	31.2	13%	0.134	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129	175	-175.6	-39.9	0	0	0	109.9	N80 N81 I82	N78-N80 VanDerWaalsContact C-N 3.27Å; N78-N80 PolarHBondContact O-N 2.83Å; N78-N80 WeakPolarHBondContact OD1-CB 3.49Å; N78-N80 PolarHBondContact OD1-N 2.87Å; N78-N80 PolarHBondContact OD1-ND2 2.85Å; N78-N81 WeakPolarHBondContact CB-O 3.42Å; N78-N81 CarbonylContact O-C 3.59Å; N78-N81 PolarHBondContact O-N 2.98Å; N78-I82 WeakPolarHBondContact O-CA 3.43Å; N78-I82 PolarHBondContact O-N 2.8Å
79	I	94.8	Very high	95.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-65.1	-33	-178.1	-161.7	167.1	0	0	0	111.5	M59 E61 D64 K495 Y499 Q508	M59-I79 HydrophobicContact CE-CD1 4.22Å; M59-I79 HydrophobicContact CG-CD1 3.65Å; M59-I79 HydrophobicContact SD-CD1 3.89Å; E61-I79 HydrophobicContact CG-CD1 4.22Å; D64-I79 HydrophobicContact CB-CG2 3.89Å; D64-I79 WeakPolarHBondContact O-CG2 3.38Å; D64-I79 PolarHBondContact O-N 3.44Å; I79-K495 HydrophobicContact CD1-CG 4.26Å; I79-K495 HydrophobicContact CG1-CG 4.38Å; I79-K495 HydrophobicContact CG2-CD 4.41Å; I79-K495 HydrophobicContact CG2-CG 4.31Å; I79-Y499 HydrophobicContact CD1-CE2 4.42Å; I79-Y499 HydrophobicContact CG1-CE1 4.14Å; I79-Y499 HydrophobicContact CG1-CE2 3.96Å; I79-Y499 VanDerWaalsContact CG1-CZ 3.46Å; I79-Y499 WeakPolarHBondContact CG1-OH 3.29Å; I79-Y499 PolarHBondContact O-OH 2.74Å; I79-Q508 PolarHBondContact O-NE2 2.99Å
80	N	94.2	Very high	95.4	Very high	75 Å²	75	38.3 Å²	38.3	40%	0.401	20%	0.203	S	C	.	.	S	Bend	trans	-74.1	-35.9	-177.9	-55.1	-64.7	0	0	0	111.4	D64 N78 K495 Q508	D64-N80 PolarHBondContact OD2-ND2 2.8Å; N78-N80 VanDerWaalsContact C-N 3.27Å; N78-N80 PolarHBondContact O-N 2.83Å; N78-N80 WeakPolarHBondContact OD1-CB 3.49Å; N78-N80 PolarHBondContact OD1-N 2.87Å; N78-N80 PolarHBondContact OD1-ND2 2.85Å; N80-K495 WeakPolarHBondContact OD1-CD 3.23Å; N80-K495 WeakPolarHBondContact OD1-CE 3.13Å; N80-K495 PolarHBondContact OD1-NZ 3.1Å; N80-Q508 PolarHBondContact O-NE2 2.84Å
81	N	95.1	Very high	95.4	Very high	48 Å²	48	39.1 Å²	39.1	26%	0.257	21%	0.206	S	C	.	.			trans	-149.8	107.3	172.7	-174.8	-21	0	0	0	110.1	N78 S83 Q84	N78-N81 WeakPolarHBondContact CB-O 3.42Å; N78-N81 CarbonylContact O-C 3.59Å; N78-N81 PolarHBondContact O-N 2.98Å; N81-S83 PolarHBondContact O-N 3.48Å; N81-S83 VanDerWaalsContact O-N 3.11Å; N81-S83 VanDerWaalsContact OD1-CB 3.28Å; N81-S83 WeakPolarHBondContact OD1-CB 3.4Å; N81-S83 PolarHBondContact OD1-N 2.98Å; N81-Q84 HydrophobicContact CB-CB 4.21Å; N81-Q84 WeakPolarHBondContact O-CB 3.43Å; N81-Q84 PolarHBondContact O-N 2.85Å
82	I	96.3	Very high	95.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.9	-176.6	60.7	169.7	0	0	0	114	E43 F45 I66 L77 N78 Q84 Y499 V506 Q508	E43-I82 HydrophobicContact CB-CD1 4.36Å; E43-I82 HydrophobicContact CB-CG1 3.85Å; F45-I82 HydrophobicContact CB-CB 4.43Å; F45-I82 HydrophobicContact CB-CD1 3.79Å; F45-I82 HydrophobicContact CB-CG1 4.1Å; I66-I82 HydrophobicContact CG2-CG2 4.42Å; L77-I82 HydrophobicContact CB-CB 4.28Å; L77-I82 HydrophobicContact CB-CG2 4.29Å; L77-I82 HydrophobicContact CD1-CB 4.23Å; L77-I82 HydrophobicContact CD1-CG2 4.46Å; N78-I82 WeakPolarHBondContact O-CA 3.43Å; N78-I82 PolarHBondContact O-N 2.8Å; I82-Q84 VanDerWaalsContact C-N 3.33Å; I82-Y499 HydrophobicContact CG2-CD1 4.02Å; I82-Y499 HydrophobicContact CG2-CE1 3.93Å; I82-V506 HydrophobicContact CD1-CG1 4.32Å; I82-V506 VanDerWaalsContact CD1-O 3.28Å; I82-V506 WeakPolarHBondContact CD1-O 3.25Å; I82-Q508 HydrophobicContact CD1-CB 3.68Å; I82-Q508 HydrophobicContact CG1-CB 3.85Å; I82-Q508 HydrophobicContact CG2-CB 4.05Å
83	S	92.4	Very high	95.3	Very high	52 Å²	52	39.2 Å²	39.2	36%	0.364	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-13.1	177.3	-53.6	0	0	0	0	112.5	E43 N81	E43-S83 PolarHBondContact OE2-OG 3.08Å; N81-S83 PolarHBondContact O-N 3.48Å; N81-S83 VanDerWaalsContact O-N 3.11Å; N81-S83 VanDerWaalsContact OD1-CB 3.28Å; N81-S83 WeakPolarHBondContact OD1-CB 3.4Å; N81-S83 PolarHBondContact OD1-N 2.98Å
84	Q	92.4	Very high	95.2	Very high	93 Å²	93	40.6 Å²	40.6	44%	0.435	23%	0.227	S	C	.	.	S	Bend	trans	-94.1	129	-175.9	-173.7	177.6	-1.1	0	0	112.1	N81 I82	N81-Q84 HydrophobicContact CB-CB 4.21Å; N81-Q84 WeakPolarHBondContact O-CB 3.43Å; N81-Q84 PolarHBondContact O-N 2.85Å; I82-Q84 VanDerWaalsContact C-N 3.33Å
85	E	88.6	Confident	95.1	Very high	93 Å²	93	45.7 Å²	45.7	44%	0.435	26%	0.258	S	S	.	.	S	Bend	trans	44.8	55.1	173.9	-64.8	173.4	-154.8	0	0	114.3	R65 L87 Q151	R65-E85 PolarHBondContact NH1-O 2.91Å; E85-L87 PolarHBondContact O-N 3.05Å; E85-Q151 PolarHBondContact OE2-NE2 2.87Å
86	P	94.1	Very high	95	Very high	58 Å²	58	50.6 Å²	50.6	38%	0.377	28%	0.284	S	S	.	.			trans	-68.3	127	176.6	31.2	-35.5	0	0	0	109.5	F45 L77	F45-P86 HydrophobicContact CD2-CB 4.49Å; F45-P86 HydrophobicContact CE2-CB 3.59Å; F45-P86 HydrophobicContact CE2-CG 3.77Å; F45-P86 HydrophobicContact CZ-CB 3.79Å; F45-P86 HydrophobicContact CZ-CG 4.29Å; L77-P86 HydrophobicContact CD2-CB 3.68Å
87	L	95.3	Very high	94.9	Very high	35 Å²	35	53.5 Å²	53.5	18%	0.183	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.9	170.1	-53.6	174.4	0	0	0	108.6	L75 S76 E85 Q151 F153	L75-L87 CarbonylContact C-O 3.59Å; L75-L87 WeakPolarHBondContact CA-O 2.92Å; S76-L87 PolarHBondContact N-O 2.99Å; S76-L87 PolarHBondContact O-N 2.86Å; E85-L87 PolarHBondContact O-N 3.05Å; L87-Q151 HydrophobicContact CD1-CB 4.49Å; L87-F153 HydrophobicContact CB-CB 3.91Å; L87-F153 HydrophobicContact CB-CD1 3.74Å; L87-F153 HydrophobicContact CB-CG 4.06Å; L87-F153 HydrophobicContact CD1-CB 3.75Å; L87-F153 HydrophobicContact CD1-CG 4.46Å; L87-F153 HydrophobicContact CG-CB 4.45Å
88	S	95.9	Very high	94.9	Very high	67 Å²	67	54.9 Å²	54.9	47%	0.469	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.9	-179.6	66.5	0	0	0	0	111.3	I74 L75	I74-S88 WeakPolarHBondContact O-CA 3.44Å; L75-S88 VanDerWaalsContact CD2-CB 3.48Å
89	V	96.9	Very high	94.9	Very high	17 Å²	17	59 Å²	59	10%	0.103	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.5	171.4	170.8	0	0	0	0	107.7	H73 I74 W91 L142 F153 I155	H73-V89 VanDerWaalsContact CA-O 3.3Å; H73-V89 WeakPolarHBondContact CA-O 3.37Å; I74-V89 PolarHBondContact N-O 2.6Å; I74-V89 PolarHBondContact O-N 3.13Å; V89-W91 HydrophobicContact CG1-CB 4.48Å; V89-L142 HydrophobicContact CG2-CD1 4.07Å; V89-F153 HydrophobicContact CG2-CD1 3.67Å; V89-F153 HydrophobicContact CG2-CE1 4Å; V89-F153 HydrophobicContact CG2-CG 4.39Å; V89-F153 VanDerWaalsContact CG2-O 3.25Å; V89-F153 WeakPolarHBondContact CG2-O 3.46Å; V89-I155 HydrophobicContact CG1-CD1 3.72Å; V89-I155 HydrophobicContact CG1-CG1 3.91Å
90	F	96.7	Very high	94.9	Very high	132 Å²	132	63 Å²	63	58%	0.579	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	116.9	171	-176.6	-127.1	0	0	0	109.5	D72 H73 P92	D72-F90 HydrophobicContact CB-CD2 4.25Å; D72-F90 HydrophobicContact CB-CE2 3.78Å; D72-F90 CarbonylContact O-C 3.56Å; D72-F90 VanDerWaalsContact O-CD2 3.27Å; D72-F90 WeakPolarHBondContact O-CD2 3.35Å; H73-F90 AromaticContact CD2-CD2 3.78Å; H73-F90 AromaticContact CE1-CD2 3.47Å; H73-F90 VanDerWaalsContact CE1-CD2 3.47Å; H73-F90 WeakPolarHBondContact CE1-CD2 3.26Å; H73-F90 AromaticContact CE1-CE2 3.73Å; H73-F90 AromaticContact NE2-CD2 3.28Å; H73-F90 VanDerWaalsContact NE2-CD2 3.28Å; H73-F90 WeakPolarHBondContact NE2-CD2 3.41Å; H73-F90 AromaticContact NE2-CE2 3.94Å; F90-P92 HydrophobicContact CD1-CG 4.09Å; F90-P92 HydrophobicContact CE1-CB 4.24Å; F90-P92 HydrophobicContact CE1-CG 3.54Å; F90-P92 HydrophobicContact CE2-CB 4.04Å; F90-P92 HydrophobicContact CE2-CG 4.14Å; F90-P92 HydrophobicContact CZ-CB 3.73Å; F90-P92 HydrophobicContact CZ-CG 3.58Å
91	W	96.4	Very high	95	Very high	17 Å²	17	59.6 Å²	59.6	6%	0.064	32%	0.323	C	S	.	.			trans	-135.2	69.7	-176.1	-171.4	43.3	0	0	0	111.2	D72 I74 V89 N114 V116 V129 V138 T140 I155 C159	D72-W91 CarbonylContact O-C 3.22Å; D72-W91 PolarHBondContact O-N 3.47Å; I74-W91 HydrophobicContact CD1-CD2 4.39Å; I74-W91 HydrophobicContact CD1-CE3 3.77Å; I74-W91 HydrophobicContact CD1-CZ3 4.4Å; I74-W91 HydrophobicContact CG1-CE3 4.38Å; V89-W91 HydrophobicContact CG1-CB 4.48Å; W91-N114 WeakPolarHBondContact O-CB 3.41Å; W91-N114 PolarHBondContact O-ND2 3.25Å; W91-V116 HydrophobicContact CE3-CG2 4.28Å; W91-V116 HydrophobicContact CZ3-CG2 4.46Å; W91-V129 HydrophobicContact CZ3-CG1 3.91Å; W91-V138 HydrophobicContact CH2-CG2 4.02Å; W91-V138 WeakPolarHBondContact CH2-O 3.48Å; W91-V138 HydrophobicContact CZ2-CB 4.29Å; W91-V138 HydrophobicContact CZ2-CG2 3.75Å; W91-T140 HydrophobicContact CH2-CG2 4.02Å; W91-T140 HydrophobicContact CZ2-CG2 3.7Å; W91-I155 HydrophobicContact CB-CD1 4.09Å; W91-I155 VanDerWaalsContact CD1-CD1 3.5Å; W91-I155 HydrophobicContact CD2-CD1 4.38Å; W91-I155 HydrophobicContact CG-CD1 3.74Å; W91-C159 PolarHBondContact NE1-SG 3.06Å
92	P	95.8	Very high	95	Very high	56 Å²	56	62 Å²	62	36%	0.364	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-76.8	165.5	-179.4	34.7	-39.1	0	0	0	112.8	D72 F90	D72-P92 HydrophobicContact CB-CB 4.12Å; D72-P92 WeakPolarHBondContact OD1-CA 3.36Å; F90-P92 HydrophobicContact CD1-CG 4.09Å; F90-P92 HydrophobicContact CE1-CB 4.24Å; F90-P92 HydrophobicContact CE1-CG 3.54Å; F90-P92 HydrophobicContact CE2-CB 4.04Å; F90-P92 HydrophobicContact CE2-CG 4.14Å; F90-P92 HydrophobicContact CZ-CB 3.73Å; F90-P92 HydrophobicContact CZ-CG 3.58Å
93	A	95.3	Very high	94.9	Very high	16 Å²	16	69.3 Å²	69.3	13%	0.132	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-69.9	153	167.3	0	0	0	0	0	110.9	V98 N114 A134	A93-V98 HydrophobicContact CB-CG2 3.89Å; A93-N114 HydrophobicContact CB-CB 4.17Å; A93-A134 HydrophobicContact CB-CB 3.67Å
94	S	94.6	Very high	95	Very high	64 Å²	64	69.3 Å²	69.3	45%	0.448	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-67	149.1	176.5	69.9	0	0	0	0	111.4	I96 K97 V98	S94-I96 VanDerWaalsContact C-N 3.26Å; S94-I96 PolarHBondContact O-N 3.15Å; S94-K97 PolarHBondContact O-N 3.48Å; S94-K97 WeakPolarHBondContact OG-CG 3.07Å; S94-K97 PolarHBondContact OG-N 3.07Å; S94-V98 WeakPolarHBondContact O-CG2 3.5Å; S94-V98 PolarHBondContact O-N 3.35Å
95	T	95.1	Very high	95	Very high	106 Å²	106	68.1 Å²	68.1	65%	0.65	38%	0.384	S	S	*	.	H	α-helix	trans	-55.3	-42.1	-179.5	50.5	0	0	0	0	112.2	K97 V98 E99	T95-K97 PolarHBondContact O-N 3.24Å; T95-V98 PolarHBondContact O-N 3.08Å; T95-E99 WeakPolarHBondContact O-CG 3.46Å; T95-E99 PolarHBondContact O-N 3.19Å
96	I	96.1	Very high	95.1	Very high	105 Å²	105	66.7 Å²	66.7	54%	0.538	38%	0.376	S	S	.	.	H	α-helix	trans	-58.3	-46.3	176	-59.1	171.4	0	0	0	111	S94 E99 E100	S94-I96 VanDerWaalsContact C-N 3.26Å; S94-I96 PolarHBondContact O-N 3.15Å; I96-E99 PolarHBondContact O-N 3.33Å; I96-E100 WeakPolarHBondContact O-CG 3.37Å; I96-E100 PolarHBondContact O-N 2.87Å
97	K	95.3	Very high	94.8	Very high	65 Å²	65	67.3 Å²	67.3	28%	0.283	38%	0.376	S	S	.	.	H	α-helix	trans	-69.7	-33.9	179	-68.6	-52.6	-177.5	-160	0	112.9	S94 T95 E100 C101	S94-K97 PolarHBondContact O-N 3.48Å; S94-K97 WeakPolarHBondContact OG-CG 3.07Å; S94-K97 PolarHBondContact OG-N 3.07Å; T95-K97 PolarHBondContact O-N 3.24Å; K97-E100 WeakPolarHBondContact CD-OE2 3.31Å; K97-E100 IonicContact NZ-OE1 3.56Å; K97-E100 PolarHBondContact NZ-OE1 3.04Å; K97-E100 IonicContact NZ-OE2 3.62Å; K97-E100 PolarHBondContact NZ-OE2 3.07Å; K97-C101 VanDerWaalsContact O-CB 3.26Å; K97-C101 WeakPolarHBondContact O-CB 3.26Å; K97-C101 PolarHBondContact O-N 3.37Å
98	V	95.7	Very high	94	Very high	29 Å²	29	69.2 Å²	69.2	18%	0.176	39%	0.391	C	S	.	.	H	α-helix	trans	-63.6	-43.2	172.5	172.8	0	0	0	0	110.7	A93 S94 T95 C101 K102 C112 A134	A93-V98 HydrophobicContact CB-CG2 3.89Å; S94-V98 WeakPolarHBondContact O-CG2 3.5Å; S94-V98 PolarHBondContact O-N 3.35Å; T95-V98 PolarHBondContact O-N 3.08Å; V98-C101 PolarHBondContact O-N 2.75Å; V98-K102 HydrophobicContact CG1-CD 4.38Å; V98-K102 VanDerWaalsContact O-CG 3.28Å; V98-K102 WeakPolarHBondContact O-CG 3.42Å; V98-K102 PolarHBondContact O-N 2.66Å; V98-K102 VanDerWaalsContact O-N 3.08Å; V98-C112 HydrophobicContact CG1-CB 4.28Å; V98-A134 HydrophobicContact CG2-CB 4.1Å
99	E	95.6	Very high	93	Very high	112 Å²	112	70.3 Å²	70.3	52%	0.523	39%	0.394	S	S	.	.	H	α-helix	trans	-65.2	-46.1	176.1	-72.9	172	-173.6	0	0	112.1	T95 I96 C101 K102 M103	T95-E99 WeakPolarHBondContact O-CG 3.46Å; T95-E99 PolarHBondContact O-N 3.19Å; I96-E99 PolarHBondContact O-N 3.33Å; E99-C101 VanDerWaalsContact C-N 3.31Å; E99-C101 PolarHBondContact O-N 3.31Å; E99-K102 PolarHBondContact O-N 3.43Å; E99-K102 VanDerWaalsContact O-N 3.16Å; E99-M103 HydrophobicContact CB-CE 4.45Å; E99-M103 WeakPolarHBondContact O-CG 3.48Å; E99-M103 PolarHBondContact O-N 2.86Å
100	E	95.8	Very high	92.1	Very high	83 Å²	83	75.9 Å²	75.9	39%	0.388	42%	0.419	S	S	.	.	H	α-helix	trans	-55.9	-44.6	173.6	-74.1	175.8	-158.9	0	0	111.9	I96 K97 K102 M103 A104	I96-E100 WeakPolarHBondContact O-CG 3.37Å; I96-E100 PolarHBondContact O-N 2.87Å; K97-E100 WeakPolarHBondContact CD-OE2 3.31Å; K97-E100 IonicContact NZ-OE1 3.56Å; K97-E100 PolarHBondContact NZ-OE1 3.04Å; K97-E100 IonicContact NZ-OE2 3.62Å; K97-E100 PolarHBondContact NZ-OE2 3.07Å; E100-K102 VanDerWaalsContact C-N 3.34Å; E100-K102 PolarHBondContact O-N 2.82Å; E100-M103 HydrophobicContact CG-CE 4.37Å; E100-M103 PolarHBondContact O-N 3.02Å; E100-A104 WeakPolarHBondContact O-CB 3.35Å; E100-A104 PolarHBondContact O-N 2.84Å
101	C	95.4	Very high	91.4	Very high	3 Å²	3	70 Å²	70	2%	0.02	40%	0.396	C	S	.	.	H	α-helix	trans	-60.1	-42.5	177.1	173.5	0	0	0	0	112.3	K97 V98 E99 A104 K106 C112 A134 F135	K97-C101 VanDerWaalsContact O-CB 3.26Å; K97-C101 WeakPolarHBondContact O-CB 3.26Å; K97-C101 PolarHBondContact O-N 3.37Å; V98-C101 PolarHBondContact O-N 2.75Å; E99-C101 VanDerWaalsContact C-N 3.31Å; E99-C101 PolarHBondContact O-N 3.31Å; C101-A104 PolarHBondContact O-N 3.32Å; C101-K106 WeakPolarHBondContact O-CB 3.47Å; C101-K106 PolarHBondContact O-N 3.02Å; C101-C112 HydrophobicContact CB-CB 3.76Å; C101-C112 WeakPolarHBondContact CB-SG 3.17Å; C101-C112 WeakPolarHBondContact SG-CA 3.39Å; C101-C112 WeakPolarHBondContact SG-CB 3.02Å; C101-C112 CovalentContact SG-SG 2.05Å; C101-C112 PolarHBondContact SG-SG 3.49Å; C101-A134 HydrophobicContact CB-CB 4.12Å; C101-A134 WeakPolarHBondContact CB-O 3.07Å; C101-F135 VanDerWaalsContact SG-CD2 3.56Å
102	K	95.2	Very high	91.3	Very high	100 Å²	100	69.7 Å²	69.7	44%	0.435	40%	0.396	S	S	.	.	H	α-helix	trans	-66.6	-43.7	176.5	-68.6	176.2	-175.4	175.5	0	111.4	V98 E99 E100 A104 G105 P108 C112	V98-K102 HydrophobicContact CG1-CD 4.38Å; V98-K102 VanDerWaalsContact O-CG 3.28Å; V98-K102 WeakPolarHBondContact O-CG 3.42Å; V98-K102 PolarHBondContact O-N 2.66Å; V98-K102 VanDerWaalsContact O-N 3.08Å; E99-K102 PolarHBondContact O-N 3.43Å; E99-K102 VanDerWaalsContact O-N 3.16Å; E100-K102 VanDerWaalsContact C-N 3.34Å; E100-K102 PolarHBondContact O-N 2.82Å; K102-A104 PolarHBondContact O-N 2.95Å; K102-G105 PolarHBondContact O-N 3.29Å; K102-P108 HydrophobicContact CD-CB 3.98Å; K102-P108 HydrophobicContact CG-CB 3.84Å; K102-C112 HydrophobicContact CG-CB 4.35Å
103	M	95	Very high	91.2	Very high	152 Å²	152	67.1 Å²	67.1	75%	0.749	38%	0.38	S	S	*	.	H	α-helix	trans	-62.5	-30.8	175.4	-70.9	-172	-73.7	0	0	112.2	E99 E100 G105	E99-M103 HydrophobicContact CB-CE 4.45Å; E99-M103 WeakPolarHBondContact O-CG 3.48Å; E99-M103 PolarHBondContact O-N 2.86Å; E100-M103 HydrophobicContact CG-CE 4.37Å; E100-M103 PolarHBondContact O-N 3.02Å; M103-G105 PolarHBondContact O-N 3.31Å
104	A	93.1	Very high	91.3	Very high	53 Å²	53	66.4 Å²	66.4	44%	0.438	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	7.4	173.4	0	0	0	0	0	114.2	E100 C101 K102 K106 F191	E100-A104 WeakPolarHBondContact O-CB 3.35Å; E100-A104 PolarHBondContact O-N 2.84Å; C101-A104 PolarHBondContact O-N 3.32Å; K102-A104 PolarHBondContact O-N 2.95Å; A104-K106 PolarHBondContact O-N 2.89Å; A104-F191 HydrophobicContact CB-CZ 3.88Å
105	G	92.4	Very high	91.4	Very high	68 Å²	68	64 Å²	64	70%	0.701	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	18.2	174.4	0	0	0	0	0	114.8	K102 M103	K102-G105 PolarHBondContact O-N 3.29Å; M103-G105 PolarHBondContact O-N 3.31Å
106	K	91.9	Very high	91.5	Very high	62 Å²	62	59 Å²	59	27%	0.27	32%	0.324	S	S	.	.			trans	-80.3	159.8	173.1	-57.5	-58.5	-175.5	-177.6	0	110.7	C101 A104 P108 F135	C101-K106 WeakPolarHBondContact O-CB 3.47Å; C101-K106 PolarHBondContact O-N 3.02Å; A104-K106 PolarHBondContact O-N 2.89Å; K106-P108 VanDerWaalsContact O-CD 3.29Å; K106-P108 WeakPolarHBondContact O-CD 3.19Å; K106-P108 VanDerWaalsContact O-N 3.11Å; K106-F135 HydrophobicContact CB-CD2 4.45Å; K106-F135 HydrophobicContact CB-CE2 4.04Å; K106-F135 HydrophobicContact CB-CZ 4.44Å; K106-F135 HydrophobicContact CD-CD1 4.37Å; K106-F135 HydrophobicContact CD-CE1 3.83Å; K106-F135 HydrophobicContact CD-CE2 4.09Å; K106-F135 HydrophobicContact CD-CZ 3.68Å; K106-F135 VanDerWaalsContact CE-CE1 3.47Å; K106-F135 HydrophobicContact CG-CD1 4.45Å; K106-F135 HydrophobicContact CG-CD2 4.02Å; K106-F135 HydrophobicContact CG-CE1 4.26Å; K106-F135 HydrophobicContact CG-CE2 3.82Å; K106-F135 HydrophobicContact CG-CG 4.34Å; K106-F135 HydrophobicContact CG-CZ 3.95Å
107	D	86.4	Confident	91.6	Very high	72 Å²	72	54.3 Å²	54.3	39%	0.385	30%	0.3	S	S	.	.			trans	-58.7	115.4	179.9	178.4	-7	0	0	0	110.9	T109 H110 G111 C112	D107-T109 VanDerWaalsContact C-N 3.26Å; D107-T109 PolarHBondContact O-N 3.08Å; D107-T109 PolarHBondContact OD1-N 2.76Å; D107-T109 PolarHBondContact OD1-OG1 3.29Å; D107-H110 PolarHBondContact OD1-N 3.47Å; D107-H110 WeakPolarHBondContact OD2-CB 3.45Å; D107-H110 IonicContact OD2-CG 2.92Å; D107-H110 PolarHBondContact OD2-N 3.03Å; D107-H110 IonicContact OD2-ND1 2.65Å; D107-G111 CarbonylContact O-C 3.11Å; D107-G111 WeakPolarHBondContact O-CA 3.26Å; D107-G111 PolarHBondContact O-N 2.92Å; D107-C112 PolarHBondContact O-N 3.14Å; D107-C112 VanDerWaalsContact O-N 3.12Å
108	P	78.8	Confident	91.7	Very high	75 Å²	75	51.2 Å²	51.2	49%	0.487	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.9	-176.5	28.7	-35.4	0	0	0	113.6	K102 K106	K102-P108 HydrophobicContact CD-CB 3.98Å; K102-P108 HydrophobicContact CG-CB 3.84Å; K106-P108 VanDerWaalsContact O-CD 3.29Å; K106-P108 WeakPolarHBondContact O-CD 3.19Å; K106-P108 VanDerWaalsContact O-N 3.11Å
109	T	75.4	Confident	91.8	Very high	89 Å²	89	50 Å²	50	55%	0.546	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-47.4	-174.3	53.3	0	0	0	0	112.1	K71 D107	K71-T109 PolarHBondContact NZ-O 3.47Å; D107-T109 VanDerWaalsContact C-N 3.26Å; D107-T109 PolarHBondContact O-N 3.08Å; D107-T109 PolarHBondContact OD1-N 2.76Å; D107-T109 PolarHBondContact OD1-OG1 3.29Å
110	H	77.6	Confident	91.9	Very high	135 Å²	135	46.1 Å²	46.1	63%	0.625	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-5.8	-174.9	-52.2	93.2	0	0	0	114	D107 F115	D107-H110 PolarHBondContact OD1-N 3.47Å; D107-H110 WeakPolarHBondContact OD2-CB 3.45Å; D107-H110 IonicContact OD2-CG 2.92Å; D107-H110 PolarHBondContact OD2-N 3.03Å; D107-H110 IonicContact OD2-ND1 2.65Å; H110-F115 WeakPolarHBondContact O-CZ 3.48Å
111	G	82.8	Confident	91.9	Very high	9 Å²	9	45 Å²	45	9%	0.093	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-37.5	-177.1	0	0	0	0	0	115	D107 G113	D107-G111 CarbonylContact O-C 3.11Å; D107-G111 WeakPolarHBondContact O-CA 3.26Å; D107-G111 PolarHBondContact O-N 2.92Å; G111-G113 PolarHBondContact O-N 2.68Å
112	C	93.8	Very high	91.8	Very high	10 Å²	10	46.7 Å²	46.7	7%	0.068	27%	0.267	C	S	.	.	S	Bend	trans	-95.1	67	-171.4	-62.3	0	0	0	0	113.5	V98 C101 K102 D107 A134	V98-C112 HydrophobicContact CG1-CB 4.28Å; C101-C112 HydrophobicContact CB-CB 3.76Å; C101-C112 WeakPolarHBondContact CB-SG 3.17Å; C101-C112 WeakPolarHBondContact SG-CA 3.39Å; C101-C112 WeakPolarHBondContact SG-CB 3.02Å; C101-C112 CovalentContact SG-SG 2.05Å; C101-C112 PolarHBondContact SG-SG 3.49Å; K102-C112 HydrophobicContact CG-CB 4.35Å; D107-C112 PolarHBondContact O-N 3.14Å; D107-C112 VanDerWaalsContact O-N 3.12Å; C112-A134 HydrophobicContact CB-CB 4.48Å
113	G	94.9	Very high	91.7	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.021	26%	0.26	C	S	.	.	S	Bend	trans	-139.5	178.3	171.7	0	0	0	0	0	111.5	G111 F115 S132 A134	G111-G113 PolarHBondContact O-N 2.68Å; G113-F115 WeakPolarHBondContact O-CD2 3.41Å; G113-F115 PolarHBondContact O-N 3.25Å; G113-S132 PolarHBondContact O-OG 2.92Å; G113-A134 WeakPolarHBondContact O-CA 3.26Å; G113-A134 PolarHBondContact O-N 3.17Å
114	N	96.7	Very high	91.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.			trans	-90.3	100.8	173.8	-173.2	25	0	0	0	110.4	D72 W91 A93 G131 S132 G133	D72-N114 WeakPolarHBondContact CA-O 3.36Å; D72-N114 PolarHBondContact N-O 3.1Å; D72-N114 WeakPolarHBondContact OD1-CB 3.1Å; D72-N114 PolarHBondContact OD1-N 2.76Å; W91-N114 WeakPolarHBondContact O-CB 3.41Å; W91-N114 PolarHBondContact O-ND2 3.25Å; A93-N114 HydrophobicContact CB-CB 4.17Å; N114-G131 VanDerWaalsContact OD1-CA 3.24Å; N114-G131 WeakPolarHBondContact OD1-CA 3.47Å; N114-S132 PolarHBondContact OD1-N 3.43Å; N114-G133 PolarHBondContact OD1-N 3.43Å
115	F	96.9	Very high	91.5	Very high	14 Å²	14	42.2 Å²	42.2	6%	0.061	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-91.8	115	177.1	-68.4	-97.9	0	0	0	109.5	D53 K71 H110 G113 R117 G131 S132 P170	D53-F115 HydrophobicContact CB-CD1 4.2Å; D53-F115 HydrophobicContact CB-CE1 4.13Å; D53-F115 WeakPolarHBondContact OD2-CD1 3.23Å; K71-F115 HydrophobicContact CB-CD1 4.01Å; K71-F115 HydrophobicContact CB-CE1 3.85Å; K71-F115 HydrophobicContact CB-CZ 4.39Å; K71-F115 HydrophobicContact CD-CE1 3.92Å; K71-F115 HydrophobicContact CD-CE2 4.4Å; K71-F115 HydrophobicContact CD-CZ 3.7Å; K71-F115 HydrophobicContact CG-CD1 4.21Å; K71-F115 HydrophobicContact CG-CE1 3.82Å; K71-F115 HydrophobicContact CG-CE2 4.27Å; K71-F115 HydrophobicContact CG-CZ 3.84Å; H110-F115 WeakPolarHBondContact O-CZ 3.48Å; G113-F115 WeakPolarHBondContact O-CD2 3.41Å; G113-F115 PolarHBondContact O-N 3.25Å; F115-R117 PolarHBondContact O-N 2.61Å; F115-G131 CarbonylContact O-C 3.58Å; F115-G131 WeakPolarHBondContact O-CA 3.29Å; F115-S132 PolarHBondContact N-OG 3.16Å; F115-S132 PolarHBondContact O-N 2.78Å; F115-P170 HydrophobicContact CB-CB 3.68Å; F115-P170 HydrophobicContact CD1-CB 4.12Å; F115-P170 HydrophobicContact CD2-CB 3.51Å; F115-P170 HydrophobicContact CD2-CG 3.84Å; F115-P170 HydrophobicContact CE2-CB 4.16Å; F115-P170 HydrophobicContact CE2-CG 4.07Å; F115-P170 HydrophobicContact CG-CB 3.49Å; F115-P170 VanDerWaalsContact CG-CB 3.49Å; F115-P170 HydrophobicContact CG-CG 4.3Å
116	V	97.8	Very high	91.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	128.5	176.6	-179.3	0	0	0	0	109.4	S70 I74 W91 I119 V129	S70-V116 WeakPolarHBondContact O-CG2 3.4Å; S70-V116 PolarHBondContact O-N 3.07Å; I74-V116 HydrophobicContact CG1-CG2 3.84Å; W91-V116 HydrophobicContact CE3-CG2 4.28Å; W91-V116 HydrophobicContact CZ3-CG2 4.46Å; V116-I119 HydrophobicContact CG1-CD1 4.01Å; V116-I119 HydrophobicContact CG1-CG1 3.77Å; V116-V129 HydrophobicContact CG1-CG1 3.76Å
117	R	96.7	Very high	91.8	Very high	7 Å²	7	37.4 Å²	37.4	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	-12.5	-175.9	-66.7	-64.4	179.2	-107.9	6.1	114	D53 I56 F115 C130 P170	D53-R117 IonicContact OD2-CZ 3.48Å; D53-R117 IonicContact OD2-NH1 2.76Å; D53-R117 PolarHBondContact OD2-NH1 2.64Å; D53-R117 IonicContact OD2-NH2 2.81Å; D53-R117 PolarHBondContact OD2-NH2 2.86Å; I56-R117 VanDerWaalsContact CD1-O 3.24Å; I56-R117 WeakPolarHBondContact CD1-O 3.19Å; F115-R117 PolarHBondContact O-N 2.61Å; R117-C130 PolarHBondContact N-O 3.12Å; R117-P170 VanDerWaalsContact CZ-O 3.3Å; R117-P170 PolarHBondContact NE-O 3.45Å; R117-P170 PolarHBondContact NH2-O 3.03Å
118	V	97.5	Very high	92.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.2	175.4	178.1	0	0	0	0	107.8	Q120 V129 C130 C166 T174 L183	V118-Q120 HydrophobicContact CG1-CG 3.96Å; V118-V129 CarbonylContact O-C 3.59Å; V118-V129 VanDerWaalsContact O-CA 3.29Å; V118-V129 WeakPolarHBondContact O-CA 3.42Å; V118-V129 WeakPolarHBondContact O-CG1 3.32Å; V118-C130 HydrophobicContact CB-CB 3.92Å; V118-C130 HydrophobicContact CG2-CB 4.26Å; V118-C130 PolarHBondContact N-O 3.48Å; V118-C130 VanDerWaalsContact N-O 3.14Å; V118-C130 PolarHBondContact O-N 2.82Å; V118-C166 HydrophobicContact CG2-CB 4.42Å; V118-T174 HydrophobicContact CG2-CG2 3.7Å; V118-L183 HydrophobicContact CG1-CD1 4.38Å
119	I	97.8	Very high	93.3	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	118.9	163.8	-55.3	179.6	0	0	0	105.3	I56 L58 I74 V116 L127 Y128 V129	I56-I119 HydrophobicContact CB-CD1 4.32Å; I56-I119 HydrophobicContact CB-CG1 4.45Å; I56-I119 HydrophobicContact CG2-CB 3.98Å; I56-I119 HydrophobicContact CG2-CD1 4.05Å; I56-I119 HydrophobicContact CG2-CG1 3.91Å; L58-I119 HydrophobicContact CB-CB 4.37Å; L58-I119 HydrophobicContact CB-CG2 4.16Å; L58-I119 HydrophobicContact CD2-CB 4.35Å; L58-I119 HydrophobicContact CD2-CG2 3.58Å; I74-I119 HydrophobicContact CG2-CD1 4.22Å; V116-I119 HydrophobicContact CG1-CD1 4.01Å; V116-I119 HydrophobicContact CG1-CG1 3.77Å; I119-L127 HydrophobicContact CG2-CD1 4.09Å; I119-Y128 WeakPolarHBondContact CA-O 3.34Å; I119-V129 HydrophobicContact CG1-CG1 4.15Å; I119-V129 HydrophobicContact CG1-CG2 4.44Å; I119-V129 HydrophobicContact CG2-CG2 4.28Å
120	Q	97.4	Very high	94.3	Very high	31 Å²	31	26.2 Å²	26.2	15%	0.145	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.3	179	-67.2	-64.4	-17.5	0	0	110.3	V118 F122 L127 Y128 S176 M178 L183	V118-Q120 HydrophobicContact CG1-CG 3.96Å; Q120-F122 PolarHBondContact O-N 2Å; Q120-L127 CarbonylContact O-C 3.55Å; Q120-L127 WeakPolarHBondContact O-CA 3.13Å; Q120-Y128 PolarHBondContact N-O 2.82Å; Q120-Y128 PolarHBondContact O-N 3.17Å; Q120-S176 VanDerWaalsContact NE2-C 3.3Å; Q120-S176 PolarHBondContact NE2-O 2.91Å; Q120-S176 PolarHBondContact NE2-OG 3.24Å; Q120-M178 HydrophobicContact CB-CB 3.88Å; Q120-M178 HydrophobicContact CB-CE 3.92Å; Q120-M178 HydrophobicContact CG-CB 4.28Å; Q120-L183 HydrophobicContact CG-CD1 3.89Å
121	T	95.8	Very high	95.3	Very high	59 Å²	59	19.8 Å²	19.8	36%	0.362	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	113.5	170.3	53.6	0	0	0	0	109	L58 L127 M178	L58-T121 HydrophobicContact CD2-CG2 4.11Å; T121-L127 HydrophobicContact CG2-CD2 4.04Å; T121-M178 WeakPolarHBondContact O-CG 3.2Å
122	F	94.6	Very high	95.9	Very high	38 Å²	38	19.3 Å²	19.3	17%	0.167	10%	0.095	C	C	.	.			trans	-83.6	-50.5	177.1	-176.6	-108.5	0	0	0	110.3	Q120 H126 Y141 M178 E181	Q120-F122 PolarHBondContact O-N 2Å; F122-H126 HydrophobicContact CB-CB 4.46Å; F122-H126 WeakPolarHBondContact CB-O 3.05Å; F122-H126 HydrophobicContact CD1-CB 4.41Å; F122-H126 PolarHBondContact N-O 3.24Å; F122-Y141 AromaticContact CD1-CD1 3.96Å; F122-Y141 HydrophobicContact CD1-CD1 3.96Å; F122-Y141 AromaticContact CD1-CE1 3.73Å; F122-Y141 HydrophobicContact CD1-CE1 3.73Å; F122-Y141 HydrophobicContact CD2-CD1 4.49Å; F122-Y141 AromaticContact CD2-CE1 3.74Å; F122-Y141 HydrophobicContact CD2-CE1 3.74Å; F122-Y141 HydrophobicContact CE1-CD1 4.3Å; F122-Y141 AromaticContact CE1-CE1 3.74Å; F122-Y141 HydrophobicContact CE1-CE1 3.74Å; F122-Y141 AromaticContact CE2-CE1 3.74Å; F122-Y141 HydrophobicContact CE2-CE1 3.74Å; F122-Y141 HydrophobicContact CG-CD1 4.07Å; F122-Y141 AromaticContact CG-CE1 3.73Å; F122-Y141 HydrophobicContact CG-CE1 3.73Å; F122-Y141 AromaticContact CZ-CE1 3.75Å; F122-Y141 HydrophobicContact CZ-CE1 3.75Å; F122-M178 HydrophobicContact CD2-CE 4.16Å; F122-M178 HydrophobicContact CD2-SD 4.43Å; F122-E181 HydrophobicContact CD2-CB 4.33Å; F122-E181 HydrophobicContact CD2-CG 4.41Å; F122-E181 HydrophobicContact CE1-CG 4.43Å; F122-E181 HydrophobicContact CE2-CB 3.6Å; F122-E181 HydrophobicContact CE2-CG 3.89Å; F122-E181 HydrophobicContact CZ-CB 3.92Å; F122-E181 HydrophobicContact CZ-CG 3.89Å
123	N	92.6	Very high	96	Very high	55 Å²	55	19 Å²	19	29%	0.294	9%	0.093	S	C	.	.	S	Bend	trans	-149.2	-165.6	173.3	65	33.9	0	0	0	109.9	T125 H126 R144	N123-T125 VanDerWaalsContact C-N 3.28Å; N123-T125 PolarHBondContact O-N 3.25Å; N123-T125 PolarHBondContact OD1-N 2.83Å; N123-T125 PolarHBondContact OD1-OG1 3.11Å; N123-H126 PolarHBondContact N-O 2.84Å; N123-H126 WeakPolarHBondContact OD1-CB 3.41Å; N123-H126 PolarHBondContact OD1-N 3.26Å; N123-R144 PolarHBondContact O-NH2 3.31Å
124	R	90.4	Very high	96.1	Very high	113 Å²	113	19 Å²	19	43%	0.426	9%	0.093	S	C	.	.	S	Bend	trans	-62.9	-33.7	-177.8	-166.3	66	178.4	77.3	-7.1	113.2	R144 R146	R124-R144 PolarHBondContact O-NE 2.88Å; R124-R146 PolarHBondContact NH1-O 2.88Å
125	T	92.8	Very high	96	Very high	43 Å²	43	19.9 Å²	19.9	26%	0.264	10%	0.097	S	C	.	.	S	Bend	trans	-107.7	-17.3	-172.8	54.1	0	0	0	0	114.4	N123 N143 R144 G145 R146	N123-T125 VanDerWaalsContact C-N 3.28Å; N123-T125 PolarHBondContact O-N 3.25Å; N123-T125 PolarHBondContact OD1-N 2.83Å; N123-T125 PolarHBondContact OD1-OG1 3.11Å; T125-N143 PolarHBondContact O-OD1 3.43Å; T125-R144 WeakPolarHBondContact O-CG 3.42Å; T125-R144 PolarHBondContact O-N 3.47Å; T125-G145 WeakPolarHBondContact CA-O 3.36Å; T125-R146 HydrophobicContact CG2-CB 4.07Å; T125-R146 HydrophobicContact CG2-CG 4.47Å
126	H	95	Very high	95.9	Very high	30 Å²	30	21 Å²	21	14%	0.139	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.9	-174.7	-67.5	76	0	0	0	112.4	F122 N123 L142 D156	F122-H126 HydrophobicContact CB-CB 4.46Å; F122-H126 WeakPolarHBondContact CB-O 3.05Å; F122-H126 HydrophobicContact CD1-CB 4.41Å; F122-H126 PolarHBondContact N-O 3.24Å; N123-H126 PolarHBondContact N-O 2.84Å; N123-H126 WeakPolarHBondContact OD1-CB 3.41Å; N123-H126 PolarHBondContact OD1-N 3.26Å; H126-L142 CarbonylContact C-O 3.46Å; H126-L142 VanDerWaalsContact CA-O 3.32Å; H126-L142 WeakPolarHBondContact CA-O 3.2Å; H126-D156 IonicContact NE2-OD2 2.69Å; H126-D156 PolarHBondContact NE2-OD2 3.29Å
127	L	96.9	Very high	95.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	144.5	163.5	-59.9	175.9	0	0	0	109.3	L58 Y67 I119 Q120 T121 V129 Y141 L142 R144	L58-L127 HydrophobicContact CD2-CD2 3.97Å; Y67-L127 HydrophobicContact CD1-CD1 3.55Å; Y67-L127 HydrophobicContact CD2-CD1 3.69Å; Y67-L127 HydrophobicContact CD2-CD2 4.43Å; Y67-L127 HydrophobicContact CE1-CD1 3.72Å; Y67-L127 HydrophobicContact CE2-CD1 3.86Å; Y67-L127 HydrophobicContact CE2-CD2 4.33Å; Y67-L127 HydrophobicContact CG-CD1 3.53Å; I119-L127 HydrophobicContact CG2-CD1 4.09Å; Q120-L127 CarbonylContact O-C 3.55Å; Q120-L127 WeakPolarHBondContact O-CA 3.13Å; T121-L127 HydrophobicContact CG2-CD2 4.04Å; L127-V129 HydrophobicContact CB-CG2 4.16Å; L127-Y141 WeakPolarHBondContact O-CA 3.5Å; L127-L142 HydrophobicContact CB-CB 4.27Å; L127-L142 HydrophobicContact CD1-CD2 4.29Å; L127-L142 PolarHBondContact N-O 2.85Å; L127-L142 PolarHBondContact O-N 3.43Å; L127-R144 VanDerWaalsContact CD2-NH1 3.3Å; L127-R144 HydrophobicContact CG-CG 4.32Å
128	Y	97.5	Very high	95.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.3	167.1	-172	-104.3	0	0	0	109.4	I119 Q120 C130 C139 Y141 R165 M178 L183 L202	I119-Y128 WeakPolarHBondContact CA-O 3.34Å; Q120-Y128 PolarHBondContact N-O 2.82Å; Q120-Y128 PolarHBondContact O-N 3.17Å; Y128-C130 WeakPolarHBondContact CE1-SG 3.34Å; Y128-C139 HydrophobicContact CE1-CB 4.25Å; Y128-C139 HydrophobicContact CE2-CB 4.19Å; Y128-C139 WeakPolarHBondContact OH-CB 3.23Å; Y128-C139 PolarHBondContact OH-SG 2.83Å; Y128-C139 VanDerWaalsContact OH-SG 3.32Å; Y128-Y141 AromaticContact CD2-CD1 3.95Å; Y128-Y141 HydrophobicContact CD2-CD1 3.95Å; Y128-Y141 AromaticContact CD2-CE1 3.58Å; Y128-Y141 HydrophobicContact CD2-CE1 3.58Å; Y128-Y141 HydrophobicContact CD2-CE2 4.34Å; Y128-Y141 HydrophobicContact CD2-CG 4.47Å; Y128-Y141 AromaticContact CD2-CZ 3.8Å; Y128-Y141 HydrophobicContact CE2-CE1 4.19Å; Y128-Y141 HydrophobicContact CE2-CE2 4.23Å; Y128-Y141 AromaticContact CE2-CZ 3.92Å; Y128-R165 WeakPolarHBondContact OH-CD 3.45Å; Y128-R165 PolarHBondContact OH-NH1 3.02Å; Y128-M178 HydrophobicContact CD1-CE 3.99Å; Y128-M178 HydrophobicContact CG-CE 3.96Å; Y128-L183 HydrophobicContact CD1-CD2 4.27Å; Y128-L183 HydrophobicContact CE1-CD2 3.89Å; Y128-L202 HydrophobicContact CD1-CD1 3.79Å; Y128-L202 HydrophobicContact CD2-CD1 3.88Å; Y128-L202 HydrophobicContact CE1-CD1 3.6Å; Y128-L202 HydrophobicContact CE1-CG 4.39Å; Y128-L202 HydrophobicContact CE2-CD1 3.69Å; Y128-L202 HydrophobicContact CE2-CD2 3.94Å; Y128-L202 HydrophobicContact CE2-CG 4.41Å; Y128-L202 HydrophobicContact CG-CD1 3.91Å
129	V	97.9	Very high	95.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.7	-172.7	-172.9	0	0	0	0	110.7	I74 W91 V116 V118 I119 L127 C139 T140 L142	I74-V129 HydrophobicContact CD1-CB 4.31Å; I74-V129 HydrophobicContact CD1-CG1 3.68Å; I74-V129 HydrophobicContact CD1-CG2 4.44Å; I74-V129 HydrophobicContact CG1-CG1 4.11Å; W91-V129 HydrophobicContact CZ3-CG1 3.91Å; V116-V129 HydrophobicContact CG1-CG1 3.76Å; V118-V129 CarbonylContact O-C 3.59Å; V118-V129 VanDerWaalsContact O-CA 3.29Å; V118-V129 WeakPolarHBondContact O-CA 3.42Å; V118-V129 WeakPolarHBondContact O-CG1 3.32Å; I119-V129 HydrophobicContact CG1-CG1 4.15Å; I119-V129 HydrophobicContact CG1-CG2 4.44Å; I119-V129 HydrophobicContact CG2-CG2 4.28Å; L127-V129 HydrophobicContact CB-CG2 4.16Å; V129-C139 CarbonylContact O-C 3.59Å; V129-C139 WeakPolarHBondContact O-CA 3.31Å; V129-C139 WeakPolarHBondContact O-CB 2.89Å; V129-T140 PolarHBondContact N-O 2.04Å; V129-T140 PolarHBondContact O-N 2.91Å; V129-L142 HydrophobicContact CG2-CB 4.06Å; V129-L142 HydrophobicContact CG2-CD2 4.34Å
130	C	97.6	Very high	95.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.3	171.5	-53.6	0	0	0	0	112.3	R117 V118 Y128 V138 C139 C166	R117-C130 PolarHBondContact N-O 3.12Å; V118-C130 HydrophobicContact CB-CB 3.92Å; V118-C130 HydrophobicContact CG2-CB 4.26Å; V118-C130 PolarHBondContact N-O 3.48Å; V118-C130 VanDerWaalsContact N-O 3.14Å; V118-C130 PolarHBondContact O-N 2.82Å; Y128-C130 WeakPolarHBondContact CE1-SG 3.34Å; C130-V138 CarbonylContact C-O 3.47Å; C130-V138 VanDerWaalsContact CA-O 3.25Å; C130-V138 WeakPolarHBondContact CA-O 3.14Å; C130-C139 HydrophobicContact CB-CB 4.03Å; C130-C139 WeakPolarHBondContact CB-SG 3.24Å; C130-C139 WeakPolarHBondContact SG-CB 3.39Å; C130-C139 CovalentContact SG-SG 2.03Å; C130-C139 PolarHBondContact SG-SG 3.46Å; C130-C166 HydrophobicContact CB-CB 3.63Å
131	G	97.3	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	169.5	171.5	0	0	0	0	0	113.2	N114 F115 G133 P137 V138	N114-G131 VanDerWaalsContact OD1-CA 3.24Å; N114-G131 WeakPolarHBondContact OD1-CA 3.47Å; F115-G131 CarbonylContact O-C 3.58Å; F115-G131 WeakPolarHBondContact O-CA 3.29Å; G131-G133 PolarHBondContact O-N 3.2Å; G131-P137 VanDerWaalsContact O-CA 3.28Å; G131-P137 WeakPolarHBondContact O-CA 3.38Å; G131-V138 PolarHBondContact N-O 3.48Å; G131-V138 PolarHBondContact O-N 2.91Å
132	S	96	Very high	95.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.			trans	-67	-19.2	-175.7	65.1	0	0	0	0	114.1	G113 N114 F115 A134 F135 S136	G113-S132 PolarHBondContact O-OG 2.92Å; N114-S132 PolarHBondContact OD1-N 3.43Å; F115-S132 PolarHBondContact N-OG 3.16Å; F115-S132 PolarHBondContact O-N 2.78Å; S132-A134 VanDerWaalsContact C-N 3.3Å; S132-A134 PolarHBondContact O-N 2.9Å; S132-F135 PolarHBondContact O-N 3.32Å; S132-S136 CarbonylContact O-C 3.57Å; S132-S136 VanDerWaalsContact O-C 3.22Å; S132-S136 PolarHBondContact O-N 2.95Å
133	G	95.9	Very high	95.9	Very high	3 Å²	3	20 Å²	20	3%	0.031	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	41.5	175.9	0	0	0	0	0	114.7	N114 G131 S136	N114-G133 PolarHBondContact OD1-N 3.43Å; G131-G133 PolarHBondContact O-N 3.2Å; G133-S136 WeakPolarHBondContact CA-O 3.36Å; G133-S136 WeakPolarHBondContact O-CB 3.39Å; G133-S136 PolarHBondContact O-N 3Å
134	A	96.1	Very high	95.9	Very high	3 Å²	3	18.1 Å²	18.1	3%	0.025	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	55.6	-172.3	0	0	0	0	0	113.1	A93 V98 C101 C112 G113 S132 S136	A93-A134 HydrophobicContact CB-CB 3.67Å; V98-A134 HydrophobicContact CG2-CB 4.1Å; C101-A134 HydrophobicContact CB-CB 4.12Å; C101-A134 WeakPolarHBondContact CB-O 3.07Å; C112-A134 HydrophobicContact CB-CB 4.48Å; G113-A134 WeakPolarHBondContact O-CA 3.26Å; G113-A134 PolarHBondContact O-N 3.17Å; S132-A134 VanDerWaalsContact C-N 3.3Å; S132-A134 PolarHBondContact O-N 2.9Å; A134-S136 PolarHBondContact O-N 3.5Å
135	F	95.3	Very high	96	Very high	17 Å²	17	13 Å²	13	8%	0.075	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	29.9	-173.7	-65.7	-107	0	0	0	113.4	C101 K106 S132 F168 N169 P170 F191	C101-F135 VanDerWaalsContact SG-CD2 3.56Å; K106-F135 HydrophobicContact CB-CD2 4.45Å; K106-F135 HydrophobicContact CB-CE2 4.04Å; K106-F135 HydrophobicContact CB-CZ 4.44Å; K106-F135 HydrophobicContact CD-CD1 4.37Å; K106-F135 HydrophobicContact CD-CE1 3.83Å; K106-F135 HydrophobicContact CD-CE2 4.09Å; K106-F135 HydrophobicContact CD-CZ 3.68Å; K106-F135 VanDerWaalsContact CE-CE1 3.47Å; K106-F135 HydrophobicContact CG-CD1 4.45Å; K106-F135 HydrophobicContact CG-CD2 4.02Å; K106-F135 HydrophobicContact CG-CE1 4.26Å; K106-F135 HydrophobicContact CG-CE2 3.82Å; K106-F135 HydrophobicContact CG-CG 4.34Å; K106-F135 HydrophobicContact CG-CZ 3.95Å; S132-F135 PolarHBondContact O-N 3.32Å; F135-F168 WeakPolarHBondContact CA-O 3.19Å; F135-F168 HydrophobicContact CD1-CB 4.47Å; F135-F168 WeakPolarHBondContact O-CD1 3.4Å; F135-N169 HydrophobicContact CE1-CB 3.86Å; F135-N169 HydrophobicContact CZ-CB 4.49Å; F135-P170 HydrophobicContact CE2-CG 4.5Å; F135-F191 HydrophobicContact CB-CD2 3.77Å; F135-F191 HydrophobicContact CB-CE2 3.47Å; F135-F191 VanDerWaalsContact CB-CE2 3.47Å; F135-F191 HydrophobicContact CD1-CD2 4.19Å; F135-F191 AromaticContact CD1-CE2 3.91Å; F135-F191 HydrophobicContact CD1-CE2 3.91Å; F135-F191 HydrophobicContact CG-CD2 4.44Å; F135-F191 AromaticContact CG-CE2 3.98Å; F135-F191 HydrophobicContact CG-CE2 3.98Å
136	S	96	Very high	95.8	Very high	37 Å²	37	19.2 Å²	19.2	26%	0.259	9%	0.091	S	C	.	.	S	Bend	trans	-141.2	80.5	169.5	173.6	0	0	0	0	107.7	S132 G133 A134 V138	S132-S136 CarbonylContact O-C 3.57Å; S132-S136 VanDerWaalsContact O-C 3.22Å; S132-S136 PolarHBondContact O-N 2.95Å; G133-S136 WeakPolarHBondContact CA-O 3.36Å; G133-S136 WeakPolarHBondContact O-CB 3.39Å; G133-S136 PolarHBondContact O-N 3Å; A134-S136 PolarHBondContact O-N 3.5Å; S136-V138 PolarHBondContact O-N 3.11Å
137	P	96.3	Very high	95.3	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.032	11%	0.114	C	C	.	.			trans	-52.7	138.2	-169.4	-30.1	36.3	0	0	0	113.7	G131 G162 C166 F168	G131-P137 VanDerWaalsContact O-CA 3.28Å; G131-P137 WeakPolarHBondContact O-CA 3.38Å; P137-G162 WeakPolarHBondContact O-CA 3.36Å; P137-G162 PolarHBondContact O-N 3.06Å; P137-C166 HydrophobicContact CB-CB 4.26Å; P137-C166 WeakPolarHBondContact CG-O 3.38Å; P137-F168 VanDerWaalsContact CD-CD1 3.41Å; P137-F168 HydrophobicContact CG-CB 4.31Å; P137-F168 HydrophobicContact CG-CD1 4.13Å; P137-F168 HydrophobicContact CG-CD2 3.59Å; P137-F168 HydrophobicContact CG-CE1 4.3Å; P137-F168 HydrophobicContact CG-CE2 3.76Å; P137-F168 HydrophobicContact CG-CG 3.75Å; P137-F168 HydrophobicContact CG-CZ 4.12Å
138	V	96.9	Very high	94.5	Very high	35 Å²	35	27.2 Å²	27.2	21%	0.212	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.5	-179.8	-70.6	0	0	0	0	110.3	W91 C130 G131 S136 E160	W91-V138 HydrophobicContact CH2-CG2 4.02Å; W91-V138 WeakPolarHBondContact CH2-O 3.48Å; W91-V138 HydrophobicContact CZ2-CB 4.29Å; W91-V138 HydrophobicContact CZ2-CG2 3.75Å; C130-V138 CarbonylContact C-O 3.47Å; C130-V138 VanDerWaalsContact CA-O 3.25Å; C130-V138 WeakPolarHBondContact CA-O 3.14Å; G131-V138 PolarHBondContact N-O 3.48Å; G131-V138 PolarHBondContact O-N 2.91Å; S136-V138 PolarHBondContact O-N 3.11Å; V138-E160 WeakPolarHBondContact CA-O 3.24Å
139	C	97.3	Very high	93.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.9	177.1	-58.7	0	0	0	0	111.5	Y128 V129 C130 C159 E160 G162	Y128-C139 HydrophobicContact CE1-CB 4.25Å; Y128-C139 HydrophobicContact CE2-CB 4.19Å; Y128-C139 WeakPolarHBondContact OH-CB 3.23Å; Y128-C139 PolarHBondContact OH-SG 2.83Å; Y128-C139 VanDerWaalsContact OH-SG 3.32Å; V129-C139 CarbonylContact O-C 3.59Å; V129-C139 WeakPolarHBondContact O-CA 3.31Å; V129-C139 WeakPolarHBondContact O-CB 2.89Å; C130-C139 HydrophobicContact CB-CB 4.03Å; C130-C139 WeakPolarHBondContact CB-SG 3.24Å; C130-C139 WeakPolarHBondContact SG-CB 3.39Å; C130-C139 CovalentContact SG-SG 2.03Å; C130-C139 PolarHBondContact SG-SG 3.46Å; C139-C159 CarbonylContact O-C 3.5Å; C139-C159 WeakPolarHBondContact O-CA 3.3Å; C139-E160 PolarHBondContact N-O 2.66Å; C139-E160 PolarHBondContact O-N 3.34Å; C139-G162 WeakPolarHBondContact SG-CA 3.24Å
140	T	96.9	Very high	92.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	166.4	176.3	-162.2	0	0	0	0	111.2	W91 V129 I155 S157	W91-T140 HydrophobicContact CH2-CG2 4.02Å; W91-T140 HydrophobicContact CZ2-CG2 3.7Å; V129-T140 PolarHBondContact N-O 2.04Å; V129-T140 PolarHBondContact O-N 2.91Å; T140-I155 HydrophobicContact CG2-CD1 4.37Å; T140-I155 HydrophobicContact CG2-CG1 4.12Å; T140-I155 HydrophobicContact CG2-CG2 3.99Å; T140-I155 VanDerWaalsContact OG1-CG2 3.29Å; T140-I155 WeakPolarHBondContact OG1-CG2 3.3Å; T140-S157 PolarHBondContact OG1-O 3.3Å; T140-S157 VanDerWaalsContact OG1-O 3.05Å; T140-S157 PolarHBondContact OG1-OG 2.77Å
141	Y	96.8	Very high	92.3	Very high	44 Å²	44	43 Å²	43	17%	0.173	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.7	169.7	-61.5	-91.7	0	0	0	109.7	F122 L127 Y128 D156 S157	F122-Y141 AromaticContact CD1-CD1 3.96Å; F122-Y141 HydrophobicContact CD1-CD1 3.96Å; F122-Y141 AromaticContact CD1-CE1 3.73Å; F122-Y141 HydrophobicContact CD1-CE1 3.73Å; F122-Y141 HydrophobicContact CD2-CD1 4.49Å; F122-Y141 AromaticContact CD2-CE1 3.74Å; F122-Y141 HydrophobicContact CD2-CE1 3.74Å; F122-Y141 HydrophobicContact CE1-CD1 4.3Å; F122-Y141 AromaticContact CE1-CE1 3.74Å; F122-Y141 HydrophobicContact CE1-CE1 3.74Å; F122-Y141 AromaticContact CE2-CE1 3.74Å; F122-Y141 HydrophobicContact CE2-CE1 3.74Å; F122-Y141 HydrophobicContact CG-CD1 4.07Å; F122-Y141 AromaticContact CG-CE1 3.73Å; F122-Y141 HydrophobicContact CG-CE1 3.73Å; F122-Y141 AromaticContact CZ-CE1 3.75Å; F122-Y141 HydrophobicContact CZ-CE1 3.75Å; L127-Y141 WeakPolarHBondContact O-CA 3.5Å; Y128-Y141 AromaticContact CD2-CD1 3.95Å; Y128-Y141 HydrophobicContact CD2-CD1 3.95Å; Y128-Y141 AromaticContact CD2-CE1 3.58Å; Y128-Y141 HydrophobicContact CD2-CE1 3.58Å; Y128-Y141 HydrophobicContact CD2-CE2 4.34Å; Y128-Y141 HydrophobicContact CD2-CG 4.47Å; Y128-Y141 AromaticContact CD2-CZ 3.8Å; Y128-Y141 HydrophobicContact CE2-CE1 4.19Å; Y128-Y141 HydrophobicContact CE2-CE2 4.23Å; Y128-Y141 AromaticContact CE2-CZ 3.92Å; Y141-D156 PolarHBondContact O-N 3.23Å; Y141-S157 WeakPolarHBondContact CD2-OG 3.49Å; Y141-S157 PolarHBondContact N-OG 2.78Å
142	L	96.6	Very high	92	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116	179.1	-173.3	75.9	0	0	0	108.8	I74 V89 H126 L127 V129 R144 F153 M154 I155	I74-L142 HydrophobicContact CD1-CD2 4.44Å; I74-L142 HydrophobicContact CG2-CD2 3.83Å; V89-L142 HydrophobicContact CG2-CD1 4.07Å; H126-L142 CarbonylContact C-O 3.46Å; H126-L142 VanDerWaalsContact CA-O 3.32Å; H126-L142 WeakPolarHBondContact CA-O 3.2Å; L127-L142 HydrophobicContact CB-CB 4.27Å; L127-L142 HydrophobicContact CD1-CD2 4.29Å; L127-L142 PolarHBondContact N-O 2.85Å; L127-L142 PolarHBondContact O-N 3.43Å; V129-L142 HydrophobicContact CG2-CB 4.06Å; V129-L142 HydrophobicContact CG2-CD2 4.34Å; L142-R144 PolarHBondContact O-N 2.89Å; L142-F153 HydrophobicContact CD2-CD2 3.98Å; L142-F153 HydrophobicContact CD2-CE1 4.29Å; L142-F153 HydrophobicContact CD2-CE2 3.24Å; L142-F153 HydrophobicContact CD2-CZ 3.45Å; L142-F153 VanDerWaalsContact CD2-CZ 3.45Å; L142-F153 HydrophobicContact CG-CD2 4.32Å; L142-F153 HydrophobicContact CG-CE2 4.05Å; L142-M154 WeakPolarHBondContact CD1-O 3.48Å; L142-I155 HydrophobicContact CD1-CG1 3.92Å
143	N	95.6	Very high	92	Very high	34 Å²	34	46.2 Å²	46.2	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122.1	175	-175.5	-7.2	0	0	0	108.9	T125 G145 V152 F153 M154 D156	T125-N143 PolarHBondContact O-OD1 3.43Å; N143-G145 PolarHBondContact OD1-N 3.25Å; N143-V152 HydrophobicContact CB-CG1 4.36Å; N143-F153 VanDerWaalsContact O-CA 3.28Å; N143-F153 WeakPolarHBondContact O-CA 3.48Å; N143-M154 PolarHBondContact N-O 3.02Å; N143-M154 PolarHBondContact O-N 3.26Å; N143-M154 VanDerWaalsContact O-N 3.08Å; N143-D156 HydrophobicContact CB-CB 3.98Å
144	R	93.9	Very high	91.9	Very high	15 Å²	15	51.3 Å²	51.3	6%	0.057	24%	0.243	C	C	.	.			trans	-111.4	10.3	-178.3	59	160.3	173.3	-170.3	7.4	113.4	D60 Y67 N123 R124 T125 L127 L142 V152 F153	D60-R144 IonicContact OD2-CZ 2.78Å; D60-R144 VanDerWaalsContact OD2-CZ 3.27Å; D60-R144 IonicContact OD2-NH1 2.73Å; D60-R144 PolarHBondContact OD2-NH1 3.2Å; D60-R144 IonicContact OD2-NH2 3.9Å; D60-R144 PolarHBondContact OD2-NH2 3.37Å; Y67-R144 HydrophobicContact CE1-CB 4.35Å; Y67-R144 VanDerWaalsContact CE2-NH1 3.34Å; Y67-R144 WeakPolarHBondContact OH-CD 3.46Å; N123-R144 PolarHBondContact O-NH2 3.31Å; R124-R144 PolarHBondContact O-NE 2.88Å; T125-R144 WeakPolarHBondContact O-CG 3.42Å; T125-R144 PolarHBondContact O-N 3.47Å; L127-R144 VanDerWaalsContact CD2-NH1 3.3Å; L127-R144 HydrophobicContact CG-CG 4.32Å; L142-R144 PolarHBondContact O-N 2.89Å; R144-V152 CarbonylContact C-O 3.47Å; R144-V152 WeakPolarHBondContact CA-O 3.3Å; R144-F153 HydrophobicContact CB-CD2 4.41Å
145	G	91.3	Very high	91.8	Very high	6 Å²	6	53.6 Å²	53.6	6%	0.062	26%	0.255	C	S	.	.			trans	70.8	176.5	-172	0	0	0	0	0	112.9	T125 N143	T125-G145 WeakPolarHBondContact CA-O 3.36Å; N143-G145 PolarHBondContact OD1-N 3.25Å
146	R	88.2	Confident	91.5	Very high	173 Å²	173	57.5 Å²	57.5	65%	0.653	28%	0.277	S	S	*	.	S	Bend	trans	-90.6	-29.9	176.2	-171.1	173.4	-177.7	172.2	1.3	111.1	Q63 R124 T125 D150	Q63-R146 PolarHBondContact NE2-O 2.82Å; Q63-R146 PolarHBondContact OE1-O 3.46Å; R124-R146 PolarHBondContact NH1-O 2.88Å; T125-R146 HydrophobicContact CG2-CB 4.07Å; T125-R146 HydrophobicContact CG2-CG 4.47Å; R146-D150 PolarHBondContact N-OD2 3Å
147	R	85.1	Confident	91	Very high	165 Å²	165	57.5 Å²	57.5	62%	0.623	28%	0.276	S	S	*	.	S	Bend	trans	-130.6	159.3	175.8	-50.6	-177.6	173.9	176.4	-1.2	110.5	E149 D150	R147-E149 VanDerWaalsContact C-N 3.25Å; R147-E149 WeakPolarHBondContact CB-OE2 3.37Å; R147-E149 PolarHBondContact O-N 3.3Å; R147-D150 PolarHBondContact N-OD2 3.45Å; R147-D150 VanDerWaalsContact N-OD2 3.13Å; R147-D150 PolarHBondContact O-N 3.41Å
148	S	80.1	Confident	90.5	Very high	33 Å²	33	66.3 Å²	66.3	23%	0.231	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-65.4	-26.6	-179.3	39.5	0	0	0	0	114.1	Q63 D150	Q63-S148 VanDerWaalsContact O-CB 3.29Å; Q63-S148 WeakPolarHBondContact O-CB 3.48Å; S148-D150 VanDerWaalsContact C-N 3.29Å
149	E	81.7	Confident	90.3	Very high	139 Å²	139	68 Å²	68	65%	0.65	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-73.4	-21.2	-179.1	-57.2	80.5	-172.6	0	0	112.6	R147 Q151	R147-E149 VanDerWaalsContact C-N 3.25Å; R147-E149 WeakPolarHBondContact CB-OE2 3.37Å; R147-E149 PolarHBondContact O-N 3.3Å; E149-Q151 PolarHBondContact O-N 3.49Å; E149-Q151 VanDerWaalsContact O-N 3.16Å
150	D	80.8	Confident	90.1	Very high	86 Å²	86	71.7 Å²	71.7	46%	0.46	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-66.1	-18.2	-179.6	-58.9	-27.8	0	0	0	111.6	R146 R147 S148 V152	R146-D150 PolarHBondContact N-OD2 3Å; R147-D150 PolarHBondContact N-OD2 3.45Å; R147-D150 VanDerWaalsContact N-OD2 3.13Å; R147-D150 PolarHBondContact O-N 3.41Å; S148-D150 VanDerWaalsContact C-N 3.29Å; D150-V152 HydrophobicContact CB-CG2 4.03Å; D150-V152 PolarHBondContact O-N 3.18Å
151	Q	85	Confident	90	Very high	106 Å²	106	75.6 Å²	75.6	50%	0.495	37%	0.371	S	S	.	.			trans	49.1	23.3	-176.4	-65.4	-171.4	-16.2	0	0	114.4	E85 L87 E149 F153	E85-Q151 PolarHBondContact OE2-NE2 2.87Å; L87-Q151 HydrophobicContact CD1-CB 4.49Å; E149-Q151 PolarHBondContact O-N 3.49Å; E149-Q151 VanDerWaalsContact O-N 3.16Å; Q151-F153 PolarHBondContact O-N 3.12Å
152	V	90.4	Very high	89.8	Confident	48 Å²	48	73.5 Å²	73.5	29%	0.291	36%	0.363	S	S	.	.			trans	-78.6	120.3	176.1	178.1	0	0	0	0	109	N143 R144 D150 M154	N143-V152 HydrophobicContact CB-CG1 4.36Å; R144-V152 CarbonylContact C-O 3.47Å; R144-V152 WeakPolarHBondContact CA-O 3.3Å; D150-V152 HydrophobicContact CB-CG2 4.03Å; D150-V152 PolarHBondContact O-N 3.18Å; V152-M154 HydrophobicContact CG1-CG 4.3Å; V152-M154 HydrophobicContact CG1-SD 4.44Å
153	F	95.1	Very high	89.6	Confident	21 Å²	21	80.1 Å²	80.1	9%	0.092	39%	0.392	C	S	.	.			trans	-152.8	88.7	175.2	-162.8	-120.8	0	0	0	110.6	Y67 I74 L87 V89 L142 N143 R144 Q151	Y67-F153 AromaticContact CD1-CE2 3.72Å; Y67-F153 HydrophobicContact CD1-CE2 3.72Å; Y67-F153 HydrophobicContact CD1-CZ 4.07Å; Y67-F153 HydrophobicContact CE1-CD2 4.43Å; Y67-F153 AromaticContact CE1-CE2 3.74Å; Y67-F153 HydrophobicContact CE1-CE2 3.74Å; Y67-F153 HydrophobicContact CE1-CZ 4.5Å; I74-F153 HydrophobicContact CG2-CE1 4.47Å; I74-F153 HydrophobicContact CG2-CZ 3.93Å; I74-F153 WeakPolarHBondContact O-CE1 3.38Å; L87-F153 HydrophobicContact CB-CB 3.91Å; L87-F153 HydrophobicContact CB-CD1 3.74Å; L87-F153 HydrophobicContact CB-CG 4.06Å; L87-F153 HydrophobicContact CD1-CB 3.75Å; L87-F153 HydrophobicContact CD1-CG 4.46Å; L87-F153 HydrophobicContact CG-CB 4.45Å; V89-F153 HydrophobicContact CG2-CD1 3.67Å; V89-F153 HydrophobicContact CG2-CE1 4Å; V89-F153 HydrophobicContact CG2-CG 4.39Å; V89-F153 VanDerWaalsContact CG2-O 3.25Å; V89-F153 WeakPolarHBondContact CG2-O 3.46Å; L142-F153 HydrophobicContact CD2-CD2 3.98Å; L142-F153 HydrophobicContact CD2-CE1 4.29Å; L142-F153 HydrophobicContact CD2-CE2 3.24Å; L142-F153 HydrophobicContact CD2-CZ 3.45Å; L142-F153 VanDerWaalsContact CD2-CZ 3.45Å; L142-F153 HydrophobicContact CG-CD2 4.32Å; L142-F153 HydrophobicContact CG-CE2 4.05Å; N143-F153 VanDerWaalsContact O-CA 3.28Å; N143-F153 WeakPolarHBondContact O-CA 3.48Å; R144-F153 HydrophobicContact CB-CD2 4.41Å; Q151-F153 PolarHBondContact O-N 3.12Å
154	M	95.2	Very high	89.3	Confident	109 Å²	109	78.6 Å²	78.6	54%	0.537	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	153.7	-171.9	60	-165	-68.4	0	0	112.1	L142 N143 V152 D156	L142-M154 WeakPolarHBondContact CD1-O 3.48Å; N143-M154 PolarHBondContact N-O 3.02Å; N143-M154 PolarHBondContact O-N 3.26Å; N143-M154 VanDerWaalsContact O-N 3.08Å; V152-M154 HydrophobicContact CG1-CG 4.3Å; V152-M154 HydrophobicContact CG1-SD 4.44Å; M154-D156 PolarHBondContact O-N 3.47Å
155	I	94.6	Very high	89.3	Confident	52 Å²	52	80 Å²	80	27%	0.267	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	123.1	176.2	-66.9	166.8	0	0	0	108.4	V89 W91 T140 L142 S157	V89-I155 HydrophobicContact CG1-CD1 3.72Å; V89-I155 HydrophobicContact CG1-CG1 3.91Å; W91-I155 HydrophobicContact CB-CD1 4.09Å; W91-I155 VanDerWaalsContact CD1-CD1 3.5Å; W91-I155 HydrophobicContact CD2-CD1 4.38Å; W91-I155 HydrophobicContact CG-CD1 3.74Å; T140-I155 HydrophobicContact CG2-CD1 4.37Å; T140-I155 HydrophobicContact CG2-CG1 4.12Å; T140-I155 HydrophobicContact CG2-CG2 3.99Å; T140-I155 VanDerWaalsContact OG1-CG2 3.29Å; T140-I155 WeakPolarHBondContact OG1-CG2 3.3Å; L142-I155 HydrophobicContact CD1-CG1 3.92Å; I155-S157 WeakPolarHBondContact CG2-O 3.4Å
156	D	88.6	Confident	89.4	Confident	99 Å²	99	79.8 Å²	79.8	53%	0.529	39%	0.387	S	S	.	.			trans	-102.2	-17.4	-173	-161.9	46.3	0	0	0	113	H126 Y141 N143 M154	H126-D156 IonicContact NE2-OD2 2.69Å; H126-D156 PolarHBondContact NE2-OD2 3.29Å; Y141-D156 PolarHBondContact O-N 3.23Å; N143-D156 HydrophobicContact CB-CB 3.98Å; M154-D156 PolarHBondContact O-N 3.47Å
157	S	84.1	Confident	89.7	Confident	36 Å²	36	71.6 Å²	71.6	25%	0.252	36%	0.357	S	S	.	.	S	Bend	trans	-122.4	157.4	-175.8	63.8	0	0	0	0	113.4	T140 Y141 I155	T140-S157 PolarHBondContact OG1-O 3.3Å; T140-S157 VanDerWaalsContact OG1-O 3.05Å; T140-S157 PolarHBondContact OG1-OG 2.77Å; Y141-S157 WeakPolarHBondContact CD2-OG 3.49Å; Y141-S157 PolarHBondContact N-OG 2.78Å; I155-S157 WeakPolarHBondContact CG2-O 3.4Å
158	K	87.5	Confident	90.2	Very high	191 Å²	191	65.1 Å²	65.1	83%	0.83	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-61.4	143.2	166	-70.2	-174.8	179.1	-179.6	0	110.1	E160	K158-E160 PolarHBondContact O-N 3.33Å
159	C	90.8	Very high	90.8	Very high	70 Å²	70	66 Å²	66	47%	0.473	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-64.6	131.6	177	-66.3	0	0	0	0	110.6	W91 C139	W91-C159 PolarHBondContact NE1-SG 3.06Å; C139-C159 CarbonylContact O-C 3.5Å; C139-C159 WeakPolarHBondContact O-CA 3.3Å
160	E	94.1	Very high	91.3	Very high	78 Å²	78	59.5 Å²	59.5	36%	0.364	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	162.7	175.2	-62.7	-177.5	179.5	0	0	110.9	V138 C139 K158 G162 R165	V138-E160 WeakPolarHBondContact CA-O 3.24Å; C139-E160 PolarHBondContact N-O 2.66Å; C139-E160 PolarHBondContact O-N 3.34Å; K158-E160 PolarHBondContact O-N 3.33Å; E160-G162 PolarHBondContact O-N 3.47Å; E160-R165 IonicContact OE2-CZ 3.45Å; E160-R165 IonicContact OE2-NH1 2.7Å; E160-R165 PolarHBondContact OE2-NH1 3.02Å; E160-R165 IonicContact OE2-NH2 3.24Å; E160-R165 PolarHBondContact OE2-NH2 3.33Å
161	S	94.1	Very high	91.8	Very high	83 Å²	83	62 Å²	62	58%	0.58	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	129.5	170.8	-173.6	0	0	0	0	110.7	K163 R165	S161-K163 PolarHBondContact OG-N 2.82Å; S161-R165 PolarHBondContact O-NH1 3.22Å
162	G	93.1	Very high	92.1	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.307	C	S	.	.			trans	-91	7.4	174.2	0	0	0	0	0	114.2	P137 C139 E160 G164 R165 C166	P137-G162 WeakPolarHBondContact O-CA 3.36Å; P137-G162 PolarHBondContact O-N 3.06Å; C139-G162 WeakPolarHBondContact SG-CA 3.24Å; E160-G162 PolarHBondContact O-N 3.47Å; G162-G164 PolarHBondContact O-N 2.82Å; G162-R165 WeakPolarHBondContact O-CA 3.11Å; G162-R165 WeakPolarHBondContact O-CB 3.07Å; G162-R165 PolarHBondContact O-N 3.2Å; G162-C166 PolarHBondContact O-N 2.74Å
163	K	92.4	Very high	92.1	Very high	138 Å²	138	60.1 Å²	60.1	60%	0.6	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	125.5	177.4	-175.4	176.8	-179.6	178.9	0	109.8	S161 R165 F168 I189	S161-K163 PolarHBondContact OG-N 2.82Å; K163-R165 VanDerWaalsContact C-N 3.25Å; K163-R165 PolarHBondContact O-N 3.31Å; K163-F168 HydrophobicContact CG-CE2 4.33Å; K163-F168 HydrophobicContact CG-CZ 4.4Å; K163-I189 HydrophobicContact CG-CG2 4.11Å
164	G	89.6	Confident	92.1	Very high	3 Å²	3	59.8 Å²	59.8	3%	0.031	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	16.7	-174.6	0	0	0	0	0	113.9	G162 M187 F199	G162-G164 PolarHBondContact O-N 2.82Å; G164-M187 WeakPolarHBondContact O-CE 3.36Å; G164-F199 WeakPolarHBondContact O-CD1 3.28Å
165	R	93.4	Very high	92.2	Very high	45 Å²	45	55 Å²	55	17%	0.17	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-32.9	174	-49	-172.2	-173.2	162.5	-11.4	112.4	Y128 E160 S161 G162 K163 L183 L202	Y128-R165 WeakPolarHBondContact OH-CD 3.45Å; Y128-R165 PolarHBondContact OH-NH1 3.02Å; E160-R165 IonicContact OE2-CZ 3.45Å; E160-R165 IonicContact OE2-NH1 2.7Å; E160-R165 PolarHBondContact OE2-NH1 3.02Å; E160-R165 IonicContact OE2-NH2 3.24Å; E160-R165 PolarHBondContact OE2-NH2 3.33Å; S161-R165 PolarHBondContact O-NH1 3.22Å; G162-R165 WeakPolarHBondContact O-CA 3.11Å; G162-R165 WeakPolarHBondContact O-CB 3.07Å; G162-R165 PolarHBondContact O-N 3.2Å; K163-R165 VanDerWaalsContact C-N 3.25Å; K163-R165 PolarHBondContact O-N 3.31Å; R165-L183 HydrophobicContact CB-CD2 4.13Å; R165-L202 VanDerWaalsContact CZ-CD2 3.45Å
166	C	94.6	Very high	92.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-140.6	149.4	175.4	177.6	0	0	0	0	111.3	V118 C130 P137 G162 M187	V118-C166 HydrophobicContact CG2-CB 4.42Å; C130-C166 HydrophobicContact CB-CB 3.63Å; P137-C166 HydrophobicContact CB-CB 4.26Å; P137-C166 WeakPolarHBondContact CG-O 3.38Å; G162-C166 PolarHBondContact O-N 2.74Å; C166-M187 PolarHBondContact N-SD 2.87Å; C166-M187 VanDerWaalsContact N-SD 3.35Å
167	S	94.8	Very high	92.7	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.014	26%	0.262	C	S	.	.			trans	-67.9	148.4	175.6	-60.7	0	0	0	0	112.6	T174 M187	S167-T174 VanDerWaalsContact CB-OG1 3.25Å; S167-T174 WeakPolarHBondContact CB-OG1 3.47Å; S167-T174 PolarHBondContact N-OG1 3.49Å; S167-T174 VanDerWaalsContact N-OG1 3.11Å; S167-T174 PolarHBondContact OG-OG1 3.31Å; S167-M187 WeakPolarHBondContact OG-CB 3.01Å
168	F	94.7	Very high	93.3	Very high	28 Å²	28	49.1 Å²	49.1	12%	0.123	26%	0.256	C	S	.	.	S	Bend	trans	-70.5	-46.3	174.1	-76.3	-111.2	0	0	0	111.8	F135 P137 K163 I189 F191	F135-F168 WeakPolarHBondContact CA-O 3.19Å; F135-F168 HydrophobicContact CD1-CB 4.47Å; F135-F168 WeakPolarHBondContact O-CD1 3.4Å; P137-F168 VanDerWaalsContact CD-CD1 3.41Å; P137-F168 HydrophobicContact CG-CB 4.31Å; P137-F168 HydrophobicContact CG-CD1 4.13Å; P137-F168 HydrophobicContact CG-CD2 3.59Å; P137-F168 HydrophobicContact CG-CE1 4.3Å; P137-F168 HydrophobicContact CG-CE2 3.76Å; P137-F168 HydrophobicContact CG-CG 3.75Å; P137-F168 HydrophobicContact CG-CZ 4.12Å; K163-F168 HydrophobicContact CG-CE2 4.33Å; K163-F168 HydrophobicContact CG-CZ 4.4Å; F168-I189 WeakPolarHBondContact CE2-O 3.4Å; F168-F191 HydrophobicContact CD1-CB 3.83Å; F168-F191 HydrophobicContact CD1-CD2 4.06Å; F168-F191 HydrophobicContact CD1-CG 4.43Å; F168-F191 HydrophobicContact CE1-CB 4.24Å; F168-F191 HydrophobicContact CG-CB 4.39Å
169	N	93.4	Very high	93.6	Very high	51 Å²	51	41.3 Å²	41.3	27%	0.273	22%	0.223	S	C	.	.	S	Bend	trans	-83.2	120	-179.7	-176.2	-7.7	0	0	0	110.3	F135 N171 V172	F135-N169 HydrophobicContact CE1-CB 3.86Å; F135-N169 HydrophobicContact CZ-CB 4.49Å; N169-N171 PolarHBondContact O-N 2.64Å; N169-N171 WeakPolarHBondContact OD1-CB 3.48Å; N169-N171 PolarHBondContact OD1-N 2.71Å; N169-V172 HydrophobicContact CB-CG2 4.12Å; N169-V172 PolarHBondContact O-N 3.18Å
170	P	92.2	Very high	93.7	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.026	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.8	-179.5	28.4	-36.5	0	0	0	113.6	F115 R117 F135 V172	F115-P170 HydrophobicContact CB-CB 3.68Å; F115-P170 HydrophobicContact CD1-CB 4.12Å; F115-P170 HydrophobicContact CD2-CB 3.51Å; F115-P170 HydrophobicContact CD2-CG 3.84Å; F115-P170 HydrophobicContact CE2-CB 4.16Å; F115-P170 HydrophobicContact CE2-CG 4.07Å; F115-P170 HydrophobicContact CG-CB 3.49Å; F115-P170 VanDerWaalsContact CG-CB 3.49Å; F115-P170 HydrophobicContact CG-CG 4.3Å; R117-P170 VanDerWaalsContact CZ-O 3.3Å; R117-P170 PolarHBondContact NE-O 3.45Å; R117-P170 PolarHBondContact NH2-O 3.03Å; F135-P170 HydrophobicContact CE2-CG 4.5Å; P170-V172 VanDerWaalsContact C-N 3.27Å; P170-V172 PolarHBondContact O-N 2.69Å
171	N	90.9	Very high	93.7	Very high	138 Å²	138	45.5 Å²	45.5	74%	0.738	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.6	-179	-63.7	-32.4	0	0	0	113.4	N169	N169-N171 PolarHBondContact O-N 2.64Å; N169-N171 WeakPolarHBondContact OD1-CB 3.48Å; N169-N171 PolarHBondContact OD1-N 2.71Å
172	V	91.1	Very high	93.7	Very high	43 Å²	43	42.9 Å²	42.9	26%	0.261	22%	0.219	S	C	.	.	S	Bend	trans	-100.1	134.4	177.5	-175.7	0	0	0	0	109.1	N169 P170 T174 Y188	N169-V172 HydrophobicContact CB-CG2 4.12Å; N169-V172 PolarHBondContact O-N 3.18Å; P170-V172 VanDerWaalsContact C-N 3.27Å; P170-V172 PolarHBondContact O-N 2.69Å; V172-T174 PolarHBondContact O-N 2.97Å; V172-Y188 HydrophobicContact CG1-CD2 3.75Å; V172-Y188 HydrophobicContact CG1-CE2 4.09Å
173	N	90.9	Very high	93.9	Very high	72 Å²	72	42.9 Å²	42.9	39%	0.385	22%	0.219	S	C	.	.			trans	-67.1	134.7	178.8	-68.7	-17.7	0	0	0	110.8	F223	N173-F223 WeakPolarHBondContact CB-O 3.4Å; N173-F223 PolarHBondContact ND2-O 2.89Å
174	T	95.1	Very high	94.1	Very high	13 Å²	13	36.3 Å²	36.3	8%	0.08	19%	0.19	C	C	.	.			trans	-107.5	120.7	164.9	-59.9	0	0	0	0	106.6	V118 S167 V172 M187	V118-T174 HydrophobicContact CG2-CG2 3.7Å; S167-T174 VanDerWaalsContact CB-OG1 3.25Å; S167-T174 WeakPolarHBondContact CB-OG1 3.47Å; S167-T174 PolarHBondContact N-OG1 3.49Å; S167-T174 VanDerWaalsContact N-OG1 3.11Å; S167-T174 PolarHBondContact OG-OG1 3.31Å; V172-T174 PolarHBondContact O-N 2.97Å; T174-M187 HydrophobicContact CG2-CB 4.07Å; T174-M187 HydrophobicContact CG2-SD 4.45Å
175	V	96.6	Very high	94.5	Very high	10 Å²	10	36.1 Å²	36.1	6%	0.061	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.5	175.8	171.7	0	0	0	0	107.9	S185 G186 F223 A226	V175-S185 CarbonylContact O-C 3.59Å; V175-S185 WeakPolarHBondContact O-CA 3.25Å; V175-G186 PolarHBondContact N-O 2.8Å; V175-G186 VanDerWaalsContact N-O 3.09Å; V175-G186 PolarHBondContact O-N 2.88Å; V175-F223 HydrophobicContact CB-CB 4.09Å; V175-F223 HydrophobicContact CG2-CB 3.63Å; V175-A226 HydrophobicContact CG1-CB 3.34Å; V175-A226 VanDerWaalsContact CG1-N 3.28Å
176	S	96.3	Very high	94.7	Very high	17 Å²	17	34 Å²	34	12%	0.119	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.1	-179.6	61.3	0	0	0	0	113.3	Q120 F184 S185	Q120-S176 VanDerWaalsContact NE2-C 3.3Å; Q120-S176 PolarHBondContact NE2-O 2.91Å; Q120-S176 PolarHBondContact NE2-OG 3.24Å; S176-F184 CarbonylContact C-O 3.43Å; S176-F184 WeakPolarHBondContact CA-O 3.27Å; S176-S185 WeakPolarHBondContact CB-OG 3.02Å
177	V	96.8	Very high	94.7	Very high	20 Å²	20	34 Å²	34	12%	0.121	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	138.8	172.5	177.7	0	0	0	0	108.4	I179 F184 A226 V228	V177-I179 HydrophobicContact CG1-CD1 4.46Å; V177-I179 HydrophobicContact CG1-CG1 4.03Å; V177-F184 PolarHBondContact N-O 3.16Å; V177-F184 PolarHBondContact O-N 3.24Å; V177-A226 HydrophobicContact CG2-CB 3.81Å; V177-A226 VanDerWaalsContact CG2-O 3.24Å; V177-A226 WeakPolarHBondContact CG2-O 3.47Å; V177-V228 HydrophobicContact CG1-CG2 3.57Å
178	M	96.2	Very high	94.7	Very high	26 Å²	26	35.2 Å²	35.2	13%	0.128	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.1	175	-171.3	72.5	71.9	0	0	110.6	Q120 T121 F122 Y128 E181 E182 L183 L202	Q120-M178 HydrophobicContact CB-CB 3.88Å; Q120-M178 HydrophobicContact CB-CE 3.92Å; Q120-M178 HydrophobicContact CG-CB 4.28Å; T121-M178 WeakPolarHBondContact O-CG 3.2Å; F122-M178 HydrophobicContact CD2-CE 4.16Å; F122-M178 HydrophobicContact CD2-SD 4.43Å; Y128-M178 HydrophobicContact CD1-CE 3.99Å; Y128-M178 HydrophobicContact CG-CE 3.96Å; M178-E181 VanDerWaalsContact SD-C 3.56Å; M178-E182 VanDerWaalsContact SD-C 3.54Å; M178-L183 HydrophobicContact CE-CB 4.23Å; M178-L183 HydrophobicContact CE-CD1 3.88Å; M178-L183 HydrophobicContact SD-CB 4.21Å; M178-L183 HydrophobicContact SD-CD1 4.46Å; M178-L202 HydrophobicContact CE-CD1 3.96Å; M178-L202 HydrophobicContact SD-CD1 4.46Å
179	I	94.8	Very high	94.6	Very high	27 Å²	27	34.4 Å²	34.4	14%	0.138	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	122	176.8	-49	175.3	0	0	0	107.9	V177 E181 E182 F184 V228 V240 P267	V177-I179 HydrophobicContact CG1-CD1 4.46Å; V177-I179 HydrophobicContact CG1-CG1 4.03Å; I179-E181 VanDerWaalsContact C-N 3.26Å; I179-E181 PolarHBondContact O-N 2.81Å; I179-E182 PolarHBondContact N-O 3.24Å; I179-E182 WeakPolarHBondContact O-CA 3.3Å; I179-E182 WeakPolarHBondContact O-CB 3.21Å; I179-E182 PolarHBondContact O-N 3.19Å; I179-F184 HydrophobicContact CB-CD2 4.3Å; I179-F184 HydrophobicContact CB-CE2 3.92Å; I179-F184 HydrophobicContact CD1-CD2 3.97Å; I179-F184 HydrophobicContact CD1-CE2 3.92Å; I179-F184 HydrophobicContact CG1-CD2 4.09Å; I179-F184 HydrophobicContact CG1-CE2 4.12Å; I179-V228 HydrophobicContact CD1-CG1 4.31Å; I179-V228 HydrophobicContact CD1-CG2 3.44Å; I179-V228 VanDerWaalsContact CD1-CG2 3.44Å; I179-V228 HydrophobicContact CG1-CG2 3.79Å; I179-V240 HydrophobicContact CD1-CG2 3.52Å; I179-P267 HydrophobicContact CD1-CB 4.44Å; I179-P267 HydrophobicContact CD1-CG 4.34Å
180	N	92.3	Very high	94.5	Very high	142 Å²	142	33.6 Å²	33.6	76%	0.759	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	46.1	178.4	-58.7	-28.8	0	0	0	113.1	E182	N180-E182 PolarHBondContact O-N 3.18Å; N180-E182 VanDerWaalsContact O-N 3.12Å
181	E	93.9	Very high	94.5	Very high	94 Å²	94	36.6 Å²	36.6	44%	0.439	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	6.7	-177.6	-56	176.9	166.1	0	0	115	F122 M178 I179	F122-E181 HydrophobicContact CD2-CB 4.33Å; F122-E181 HydrophobicContact CD2-CG 4.41Å; F122-E181 HydrophobicContact CE1-CG 4.43Å; F122-E181 HydrophobicContact CE2-CB 3.6Å; F122-E181 HydrophobicContact CE2-CG 3.89Å; F122-E181 HydrophobicContact CZ-CB 3.92Å; F122-E181 HydrophobicContact CZ-CG 3.89Å; M178-E181 VanDerWaalsContact SD-C 3.56Å; I179-E181 VanDerWaalsContact C-N 3.26Å; I179-E181 PolarHBondContact O-N 2.81Å
182	E	95.4	Very high	94.5	Very high	27 Å²	27	36.4 Å²	36.4	13%	0.126	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.9	173	-56.4	-174.7	139.7	0	0	110.5	M178 I179 N180 F184 R200 T203	M178-E182 VanDerWaalsContact SD-C 3.54Å; I179-E182 PolarHBondContact N-O 3.24Å; I179-E182 WeakPolarHBondContact O-CA 3.3Å; I179-E182 WeakPolarHBondContact O-CB 3.21Å; I179-E182 PolarHBondContact O-N 3.19Å; N180-E182 PolarHBondContact O-N 3.18Å; N180-E182 VanDerWaalsContact O-N 3.12Å; E182-F184 HydrophobicContact CB-CE2 4.06Å; E182-R200 HydrophobicContact CB-CG 4.34Å; E182-R200 WeakPolarHBondContact OE2-CD 3.46Å; E182-T203 WeakPolarHBondContact OE1-CB 3.4Å; E182-T203 PolarHBondContact OE1-OG1 3.38Å
183	L	96.6	Very high	94.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.4	-177.4	-176.7	76.5	0	0	0	110.4	V118 Q120 Y128 R165 M178 S185 R200 S201 L202	V118-L183 HydrophobicContact CG1-CD1 4.38Å; Q120-L183 HydrophobicContact CG-CD1 3.89Å; Y128-L183 HydrophobicContact CD1-CD2 4.27Å; Y128-L183 HydrophobicContact CE1-CD2 3.89Å; R165-L183 HydrophobicContact CB-CD2 4.13Å; M178-L183 HydrophobicContact CE-CB 4.23Å; M178-L183 HydrophobicContact CE-CD1 3.88Å; M178-L183 HydrophobicContact SD-CB 4.21Å; M178-L183 HydrophobicContact SD-CD1 4.46Å; L183-S185 WeakPolarHBondContact CG-OG 3.05Å; L183-R200 WeakPolarHBondContact O-CA 3.16Å; L183-S201 PolarHBondContact N-O 3.03Å; L183-S201 PolarHBondContact O-N 3.36Å; L183-S201 PolarHBondContact O-OG 3.49Å; L183-L202 HydrophobicContact CB-CB 4.46Å; L183-L202 HydrophobicContact CB-CD1 3.86Å; L183-L202 HydrophobicContact CB-CG 4.17Å
184	F	97.6	Very high	94.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.2	172.7	-64.2	-102.6	0	0	0	108.7	S176 V177 I179 E182 F199 R200 V240 F242 I265 P267 W280	S176-F184 CarbonylContact C-O 3.43Å; S176-F184 WeakPolarHBondContact CA-O 3.27Å; V177-F184 PolarHBondContact N-O 3.16Å; V177-F184 PolarHBondContact O-N 3.24Å; I179-F184 HydrophobicContact CB-CD2 4.3Å; I179-F184 HydrophobicContact CB-CE2 3.92Å; I179-F184 HydrophobicContact CD1-CD2 3.97Å; I179-F184 HydrophobicContact CD1-CE2 3.92Å; I179-F184 HydrophobicContact CG1-CD2 4.09Å; I179-F184 HydrophobicContact CG1-CE2 4.12Å; E182-F184 HydrophobicContact CB-CE2 4.06Å; F184-F199 CarbonylContact C-O 3.55Å; F184-F199 WeakPolarHBondContact CA-O 3.05Å; F184-R200 HydrophobicContact CD1-CB 4.16Å; F184-R200 HydrophobicContact CD1-CG 4.3Å; F184-R200 HydrophobicContact CE1-CB 4.16Å; F184-R200 HydrophobicContact CE1-CG 4.04Å; F184-R200 HydrophobicContact CE2-CG 4.32Å; F184-R200 VanDerWaalsContact CZ-CD 3.46Å; F184-R200 HydrophobicContact CZ-CG 4.04Å; F184-V240 HydrophobicContact CD1-CG2 4.34Å; F184-F242 HydrophobicContact CB-CZ 4.21Å; F184-I265 HydrophobicContact CD1-CD1 3.87Å; F184-I265 HydrophobicContact CE1-CD1 4.26Å; F184-P267 HydrophobicContact CZ-CB 4.1Å; F184-W280 HydrophobicContact CD1-CH2 4.05Å; F184-W280 HydrophobicContact CD1-CZ2 4.42Å; F184-W280 AromaticContact CE1-CH2 3.75Å; F184-W280 HydrophobicContact CE1-CH2 3.75Å; F184-W280 HydrophobicContact CE1-CZ3 4.47Å
185	S	97.1	Very high	94.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.1	-173.5	-63.9	0	0	0	0	112.6	V175 S176 L183 M187 I198 F199	V175-S185 CarbonylContact O-C 3.59Å; V175-S185 WeakPolarHBondContact O-CA 3.25Å; S176-S185 WeakPolarHBondContact CB-OG 3.02Å; L183-S185 WeakPolarHBondContact CG-OG 3.05Å; S185-M187 VanDerWaalsContact CB-CE 3.41Å; S185-I198 CarbonylContact O-C 3.59Å; S185-I198 WeakPolarHBondContact O-CA 3.4Å; S185-F199 PolarHBondContact N-O 2.8Å; S185-F199 PolarHBondContact O-N 3.34Å
186	G	97.1	Very high	94.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.3	167	0	0	0	0	0	109.6	V175 A197 F223	V175-G186 PolarHBondContact N-O 2.8Å; V175-G186 VanDerWaalsContact N-O 3.09Å; V175-G186 PolarHBondContact O-N 2.88Å; G186-A197 WeakPolarHBondContact CA-O 3.48Å; G186-F223 VanDerWaalsContact C-CE2 3.45Å; G186-F223 WeakPolarHBondContact O-CD2 3.26Å
187	M	95.4	Very high	94.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	176.5	-173	77.6	-169.3	120.2	0	0	113.3	G164 C166 S167 T174 S185 I189 A196 A197 F199	G164-M187 WeakPolarHBondContact O-CE 3.36Å; C166-M187 PolarHBondContact N-SD 2.87Å; C166-M187 VanDerWaalsContact N-SD 3.35Å; S167-M187 WeakPolarHBondContact OG-CB 3.01Å; T174-M187 HydrophobicContact CG2-CB 4.07Å; T174-M187 HydrophobicContact CG2-SD 4.45Å; S185-M187 VanDerWaalsContact CB-CE 3.41Å; M187-I189 HydrophobicContact CG-CG1 4.14Å; M187-A196 WeakPolarHBondContact O-CA 3.49Å; M187-A197 PolarHBondContact N-O 3.12Å; M187-A197 PolarHBondContact O-N 2.95Å; M187-F199 HydrophobicContact CE-CB 4.18Å
188	Y	94.7	Very high	94.2	Very high	27 Å²	27	36.7 Å²	36.7	11%	0.106	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.3	162	-73.8	-97.9	0	0	0	110.5	V172 G193 D195 A196 E220 P221	V172-Y188 HydrophobicContact CG1-CD2 3.75Å; V172-Y188 HydrophobicContact CG1-CE2 4.09Å; Y188-G193 VanDerWaalsContact CD1-O 3.27Å; Y188-G193 WeakPolarHBondContact CD1-O 3.48Å; Y188-G193 WeakPolarHBondContact CE1-O 3.35Å; Y188-D195 WeakPolarHBondContact CA-O 3.46Å; Y188-A196 HydrophobicContact CD1-CB 3.94Å; Y188-A196 HydrophobicContact CD2-CB 4.46Å; Y188-A196 HydrophobicContact CE1-CB 3.67Å; Y188-A196 HydrophobicContact CE2-CB 4.21Å; Y188-A196 HydrophobicContact CG-CB 4.35Å; Y188-E220 WeakPolarHBondContact OH-CA 3.11Å; Y188-P221 VanDerWaalsContact CE2-O 3.27Å; Y188-P221 WeakPolarHBondContact CE2-O 3.2Å; Y188-P221 PolarHBondContact OH-O 2.94Å
189	I	92.6	Very high	94.1	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.062	20%	0.2	C	C	.	.			trans	-93.5	-13.2	-171	-59.6	169.2	0	0	0	112.1	K163 F168 M187 D195 A197 F199	K163-I189 HydrophobicContact CG-CG2 4.11Å; F168-I189 WeakPolarHBondContact CE2-O 3.4Å; M187-I189 HydrophobicContact CG-CG1 4.14Å; I189-D195 PolarHBondContact N-O 2.85Å; I189-A197 HydrophobicContact CD1-CB 3.51Å; I189-A197 HydrophobicContact CG1-CB 4.46Å; I189-F199 HydrophobicContact CD1-CD2 3.94Å; I189-F199 HydrophobicContact CD1-CG 4.43Å
190	D	91.9	Very high	94.2	Very high	34 Å²	34	35.9 Å²	35.9	18%	0.182	19%	0.194	C	C	.	.	S	Bend	trans	-113.1	159.2	-174.5	68.8	-33	0	0	0	113.2	M192 G193 T194 D195	D190-M192 VanDerWaalsContact C-N 3.27Å; D190-M192 PolarHBondContact O-N 3.27Å; D190-M192 WeakPolarHBondContact OD2-CB 3.43Å; D190-G193 PolarHBondContact O-N 2.95Å; D190-G193 WeakPolarHBondContact OD1-CA 3.34Å; D190-G193 PolarHBondContact OD1-N 2.82Å; D190-G193 PolarHBondContact OD2-N 3.4Å; D190-T194 PolarHBondContact OD1-N 3.48Å; D190-T194 PolarHBondContact OD2-N 2.87Å; D190-T194 PolarHBondContact OD2-OG1 3.14Å; D190-D195 HydrophobicContact CB-CB 4.23Å; D190-D195 PolarHBondContact OD1-N 3.4Å; D190-D195 PolarHBondContact OD2-N 2.91Å
191	F	90.9	Very high	94.2	Very high	66 Å²	66	29.5 Å²	29.5	29%	0.289	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.7	177.4	177.7	-88.2	0	0	0	112.6	A104 F135 F168 G193	A104-F191 HydrophobicContact CB-CZ 3.88Å; F135-F191 HydrophobicContact CB-CD2 3.77Å; F135-F191 HydrophobicContact CB-CE2 3.47Å; F135-F191 VanDerWaalsContact CB-CE2 3.47Å; F135-F191 HydrophobicContact CD1-CD2 4.19Å; F135-F191 AromaticContact CD1-CE2 3.91Å; F135-F191 HydrophobicContact CD1-CE2 3.91Å; F135-F191 HydrophobicContact CG-CD2 4.44Å; F135-F191 AromaticContact CG-CE2 3.98Å; F135-F191 HydrophobicContact CG-CE2 3.98Å; F168-F191 HydrophobicContact CD1-CB 3.83Å; F168-F191 HydrophobicContact CD1-CD2 4.06Å; F168-F191 HydrophobicContact CD1-CG 4.43Å; F168-F191 HydrophobicContact CE1-CB 4.24Å; F168-F191 HydrophobicContact CG-CB 4.39Å; F191-G193 VanDerWaalsContact C-N 3.34Å
192	M	90.4	Very high	94.1	Very high	134 Å²	134	26.7 Å²	26.7	66%	0.66	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-18	179.4	-66.1	-75.9	98	0	0	113.2	D190 T194	D190-M192 VanDerWaalsContact C-N 3.27Å; D190-M192 PolarHBondContact O-N 3.27Å; D190-M192 WeakPolarHBondContact OD2-CB 3.43Å; M192-T194 HydrophobicContact CB-CG2 3.99Å
193	G	88.8	Confident	93.8	Very high	36 Å²	36	26.7 Å²	26.7	37%	0.371	15%	0.15	S	C	.	.	S	Bend	trans	70.7	38.7	-176.2	0	0	0	0	0	112.6	Y188 D190 F191	Y188-G193 VanDerWaalsContact CD1-O 3.27Å; Y188-G193 WeakPolarHBondContact CD1-O 3.48Å; Y188-G193 WeakPolarHBondContact CE1-O 3.35Å; D190-G193 PolarHBondContact O-N 2.95Å; D190-G193 WeakPolarHBondContact OD1-CA 3.34Å; D190-G193 PolarHBondContact OD1-N 2.82Å; D190-G193 PolarHBondContact OD2-N 3.4Å; F191-G193 VanDerWaalsContact C-N 3.34Å
194	T	90.4	Very high	93.3	Very high	110 Å²	110	36.7 Å²	36.7	68%	0.675	19%	0.193	S	C	*	.			trans	-113	-26.6	179.7	65.9	0	0	0	0	112.9	D190 M192 A196	D190-T194 PolarHBondContact OD1-N 3.48Å; D190-T194 PolarHBondContact OD2-N 2.87Å; D190-T194 PolarHBondContact OD2-OG1 3.14Å; M192-T194 HydrophobicContact CB-CG2 3.99Å; T194-A196 PolarHBondContact O-N 2.91Å
195	D	92.9	Very high	92.9	Very high	21 Å²	21	42.9 Å²	42.9	11%	0.112	22%	0.217	C	C	.	.			trans	-98.2	83.6	-179.1	-174.3	26.2	0	0	0	111.2	Y188 I189 D190 R209 Q212	Y188-D195 WeakPolarHBondContact CA-O 3.46Å; I189-D195 PolarHBondContact N-O 2.85Å; D190-D195 HydrophobicContact CB-CB 4.23Å; D190-D195 PolarHBondContact OD1-N 3.4Å; D190-D195 PolarHBondContact OD2-N 2.91Å; D195-R209 IonicContact OD1-CZ 3.05Å; D195-R209 IonicContact OD1-NH1 3.21Å; D195-R209 PolarHBondContact OD1-NH1 2.81Å; D195-R209 IonicContact OD1-NH2 2.67Å; D195-R209 PolarHBondContact OD1-NH2 3.41Å; D195-R209 IonicContact OD2-CZ 3.93Å; D195-R209 IonicContact OD2-NH1 2.85Å; D195-R209 PolarHBondContact OD2-NH1 2.94Å; D195-R209 IonicContact OD2-NH2 2.67Å; D195-Q212 VanDerWaalsContact CG-NE2 3.33Å; D195-Q212 WeakPolarHBondContact OD1-CG 3.48Å; D195-Q212 PolarHBondContact OD1-NE2 3.2Å; D195-Q212 PolarHBondContact OD2-NE2 2.99Å; D195-Q212 VanDerWaalsContact OD2-NE2 3.09Å
196	A	94.7	Very high	92.4	Very high	15 Å²	15	47.3 Å²	47.3	12%	0.124	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	138.2	170.4	0	0	0	0	0	111.7	M187 Y188 T194 P221	M187-A196 WeakPolarHBondContact O-CA 3.49Å; Y188-A196 HydrophobicContact CD1-CB 3.94Å; Y188-A196 HydrophobicContact CD2-CB 4.46Å; Y188-A196 HydrophobicContact CE1-CB 3.67Å; Y188-A196 HydrophobicContact CE2-CB 4.21Å; Y188-A196 HydrophobicContact CG-CB 4.35Å; T194-A196 PolarHBondContact O-N 2.91Å; A196-P221 HydrophobicContact CB-CG 3.38Å
197	A	96.2	Very high	92.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	154.3	172.4	0	0	0	0	0	113.4	G186 M187 I189 T210	G186-A197 WeakPolarHBondContact CA-O 3.48Å; M187-A197 PolarHBondContact N-O 3.12Å; M187-A197 PolarHBondContact O-N 2.95Å; I189-A197 HydrophobicContact CD1-CB 3.51Å; I189-A197 HydrophobicContact CG1-CB 4.46Å; A197-T210 VanDerWaalsContact CA-OG1 3.27Å; A197-T210 WeakPolarHBondContact CA-OG1 3.47Å; A197-T210 WeakPolarHBondContact CB-OG1 3.28Å
198	I	97.6	Very high	92.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.8	154.4	-61.5	170.1	0	0	0	106.9	S185 R209 T210 F223 F242 I265 W280 F283	S185-I198 CarbonylContact O-C 3.59Å; S185-I198 WeakPolarHBondContact O-CA 3.4Å; I198-R209 CarbonylContact O-C 3.57Å; I198-R209 VanDerWaalsContact O-CA 3.3Å; I198-R209 WeakPolarHBondContact O-CA 3.23Å; I198-T210 HydrophobicContact CB-CG2 3.84Å; I198-T210 HydrophobicContact CG1-CG2 4.39Å; I198-T210 PolarHBondContact N-OG1 3.49Å; I198-T210 PolarHBondContact O-N 2.04Å; I198-T210 VanDerWaalsContact O-N 3.09Å; I198-F223 HydrophobicContact CD1-CE1 4.29Å; I198-F223 HydrophobicContact CG1-CE1 3.74Å; I198-F223 HydrophobicContact CG1-CZ 4.11Å; I198-F242 HydrophobicContact CD1-CB 3.92Å; I198-F242 HydrophobicContact CD1-CD1 4.26Å; I198-F242 HydrophobicContact CD1-CD2 3.89Å; I198-F242 HydrophobicContact CD1-CG 3.75Å; I198-F242 HydrophobicContact CG1-CD1 4.25Å; I198-F242 HydrophobicContact CG1-CG 4.24Å; I198-F242 HydrophobicContact CG2-CD1 4.4Å; I198-F242 HydrophobicContact CG2-CD2 3.98Å; I198-F242 HydrophobicContact CG2-CE1 3.97Å; I198-F242 HydrophobicContact CG2-CE2 3.5Å; I198-F242 HydrophobicContact CG2-CG 4.41Å; I198-F242 HydrophobicContact CG2-CZ 3.5Å; I198-I265 HydrophobicContact CG2-CD1 4.09Å; I198-W280 PolarHBondContact O-NE1 3.03Å; I198-F283 HydrophobicContact CD1-CD2 4.33Å; I198-F283 HydrophobicContact CD1-CE2 3.73Å
199	F	94.8	Very high	92.2	Very high	36 Å²	36	49.8 Å²	49.8	16%	0.158	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.6	-164.1	-163.5	-94.1	0	0	0	110.9	G164 F184 S185 M187 I189 A207 R209	G164-F199 WeakPolarHBondContact O-CD1 3.28Å; F184-F199 CarbonylContact C-O 3.55Å; F184-F199 WeakPolarHBondContact CA-O 3.05Å; S185-F199 PolarHBondContact N-O 2.8Å; S185-F199 PolarHBondContact O-N 3.34Å; M187-F199 HydrophobicContact CE-CB 4.18Å; I189-F199 HydrophobicContact CD1-CD2 3.94Å; I189-F199 HydrophobicContact CD1-CG 4.43Å; F199-A207 HydrophobicContact CE1-CB 4.1Å; F199-A207 HydrophobicContact CE2-CB 4.49Å; F199-A207 HydrophobicContact CZ-CB 3.68Å; F199-R209 HydrophobicContact CD2-CB 3.44Å; F199-R209 VanDerWaalsContact CD2-CB 3.44Å; F199-R209 HydrophobicContact CD2-CG 4.4Å; F199-R209 HydrophobicContact CE2-CB 3.83Å; F199-R209 HydrophobicContact CE2-CG 4.39Å; F199-R209 HydrophobicContact CG-CB 4.47Å
200	R	95.9	Very high	92.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.6	165.7	-178	179	67.9	-147.3	-8.1	110.4	E182 L183 F184 T203 A207 V208 P267 D269 W280	E182-R200 HydrophobicContact CB-CG 4.34Å; E182-R200 WeakPolarHBondContact OE2-CD 3.46Å; L183-R200 WeakPolarHBondContact O-CA 3.16Å; F184-R200 HydrophobicContact CD1-CB 4.16Å; F184-R200 HydrophobicContact CD1-CG 4.3Å; F184-R200 HydrophobicContact CE1-CB 4.16Å; F184-R200 HydrophobicContact CE1-CG 4.04Å; F184-R200 HydrophobicContact CE2-CG 4.32Å; F184-R200 VanDerWaalsContact CZ-CD 3.46Å; F184-R200 HydrophobicContact CZ-CG 4.04Å; R200-T203 HydrophobicContact CG-CG2 4.49Å; R200-A207 WeakPolarHBondContact O-CB 3.4Å; R200-V208 PolarHBondContact N-O 3.46Å; R200-P267 PolarHBondContact NH1-O 2.65Å; R200-D269 PolarHBondContact NH1-O 3.25Å; R200-D269 PolarHBondContact NH2-O 3.33Å; R200-W280 HydrophobicContact CB-CH2 3.62Å; R200-W280 HydrophobicContact CB-CZ2 3.79Å
201	S	93.4	Very high	92.5	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.049	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	-177.8	179.9	66.8	0	0	0	0	111.1	L183 T203	L183-S201 PolarHBondContact N-O 3.03Å; L183-S201 PolarHBondContact O-N 3.36Å; L183-S201 PolarHBondContact O-OG 3.49Å; S201-T203 PolarHBondContact O-N 3.14Å
202	L	91.6	Very high	92.5	Very high	35 Å²	35	48.9 Å²	48.9	18%	0.183	25%	0.254	C	S	.	.	S	Bend	trans	55.9	15.9	-174.9	-60.5	-179.2	0	0	0	115.2	Y128 R165 M178 L183	Y128-L202 HydrophobicContact CD1-CD1 3.79Å; Y128-L202 HydrophobicContact CD2-CD1 3.88Å; Y128-L202 HydrophobicContact CE1-CD1 3.6Å; Y128-L202 HydrophobicContact CE1-CG 4.39Å; Y128-L202 HydrophobicContact CE2-CD1 3.69Å; Y128-L202 HydrophobicContact CE2-CD2 3.94Å; Y128-L202 HydrophobicContact CE2-CG 4.41Å; Y128-L202 HydrophobicContact CG-CD1 3.91Å; R165-L202 VanDerWaalsContact CZ-CD2 3.45Å; M178-L202 HydrophobicContact CE-CD1 3.96Å; M178-L202 HydrophobicContact SD-CD1 4.46Å; L183-L202 HydrophobicContact CB-CB 4.46Å; L183-L202 HydrophobicContact CB-CD1 3.86Å; L183-L202 HydrophobicContact CB-CG 4.17Å
203	T	89	Confident	92.3	Very high	28 Å²	28	50.7 Å²	50.7	17%	0.172	26%	0.261	C	S	.	.			trans	-90.3	146.8	-178.2	179.5	0	0	0	0	111.3	E182 R200 S201 R205	E182-T203 WeakPolarHBondContact OE1-CB 3.4Å; E182-T203 PolarHBondContact OE1-OG1 3.38Å; R200-T203 HydrophobicContact CG-CG2 4.49Å; S201-T203 PolarHBondContact O-N 3.14Å; T203-R205 WeakPolarHBondContact CG2-O 3.39Å; T203-R205 WeakPolarHBondContact OG1-CB 3.39Å; T203-R205 PolarHBondContact OG1-N 2.92Å
204	K	86.9	Confident	92.4	Very high	210 Å²	210	50.5 Å²	50.5	91%	0.913	25%	0.251	S	S	*	.	S	Bend	trans	-75.7	-14.2	166.5	-63.5	179.3	-176.9	173	0	112.2
205	R	87.5	Confident	92.3	Very high	130 Å²	130	49.2 Å²	49.2	49%	0.491	25%	0.247	S	C	.	.	S	Bend	trans	-88	179.8	177.1	-52.6	175.5	179.8	172.8	1.3	109.2	T203 A207	T203-R205 WeakPolarHBondContact CG2-O 3.39Å; T203-R205 WeakPolarHBondContact OG1-CB 3.39Å; T203-R205 PolarHBondContact OG1-N 2.92Å; R205-A207 PolarHBondContact O-N 3.3Å
206	N	87.6	Confident	92.2	Very high	93 Å²	93	53.1 Å²	53.1	50%	0.497	26%	0.263	S	S	.	.			trans	-64	135.7	169.2	-65.2	-12.2	0	0	0	110.2	N278	N206-N278 WeakPolarHBondContact CB-OD1 3.44Å; N206-N278 PolarHBondContact ND2-OD1 3.08Å; N206-N278 VanDerWaalsContact ND2-OD1 3.09Å
207	A	91.8	Very high	92.2	Very high	42 Å²	42	52.5 Å²	52.5	35%	0.347	26%	0.257	S	S	.	.			trans	-61.5	139.5	171.2	0	0	0	0	0	110.1	F199 R200 R205 N278	F199-A207 HydrophobicContact CE1-CB 4.1Å; F199-A207 HydrophobicContact CE2-CB 4.49Å; F199-A207 HydrophobicContact CZ-CB 3.68Å; R200-A207 WeakPolarHBondContact O-CB 3.4Å; R205-A207 PolarHBondContact O-N 3.3Å; A207-N278 WeakPolarHBondContact O-CB 3.48Å
208	V	95.1	Very high	92.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.7	-178.5	-178.7	0	0	0	0	109.4	R200 N278 K279 W280	R200-V208 PolarHBondContact N-O 3.46Å; V208-N278 WeakPolarHBondContact CA-O 3.49Å; V208-K279 VanDerWaalsContact CG1-C 3.4Å; V208-W280 HydrophobicContact CB-CD2 4.33Å; V208-W280 HydrophobicContact CB-CE3 4.22Å; V208-W280 HydrophobicContact CB-CH2 4.02Å; V208-W280 HydrophobicContact CB-CZ2 4.15Å; V208-W280 HydrophobicContact CB-CZ3 4.06Å; V208-W280 HydrophobicContact CG1-CB 4.45Å; V208-W280 HydrophobicContact CG1-CD2 3.43Å; V208-W280 VanDerWaalsContact CG1-CD2 3.43Å; V208-W280 HydrophobicContact CG1-CE3 3.45Å; V208-W280 VanDerWaalsContact CG1-CE3 3.45Å; V208-W280 HydrophobicContact CG1-CG 3.92Å; V208-W280 HydrophobicContact CG1-CH2 4.13Å; V208-W280 HydrophobicContact CG1-CZ2 4.14Å; V208-W280 HydrophobicContact CG1-CZ3 3.8Å
209	R	95.5	Very high	91.9	Very high	36 Å²	36	54.3 Å²	54.3	14%	0.136	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	169.2	-178.5	66.8	165.5	-74.5	157.5	-1.8	114.5	D195 I198 F199 N278 K279 W280	D195-R209 IonicContact OD1-CZ 3.05Å; D195-R209 IonicContact OD1-NH1 3.21Å; D195-R209 PolarHBondContact OD1-NH1 2.81Å; D195-R209 IonicContact OD1-NH2 2.67Å; D195-R209 PolarHBondContact OD1-NH2 3.41Å; D195-R209 IonicContact OD2-CZ 3.93Å; D195-R209 IonicContact OD2-NH1 2.85Å; D195-R209 PolarHBondContact OD2-NH1 2.94Å; D195-R209 IonicContact OD2-NH2 2.67Å; I198-R209 CarbonylContact O-C 3.57Å; I198-R209 VanDerWaalsContact O-CA 3.3Å; I198-R209 WeakPolarHBondContact O-CA 3.23Å; F199-R209 HydrophobicContact CD2-CB 3.44Å; F199-R209 VanDerWaalsContact CD2-CB 3.44Å; F199-R209 HydrophobicContact CD2-CG 4.4Å; F199-R209 HydrophobicContact CE2-CB 3.83Å; F199-R209 HydrophobicContact CE2-CG 4.39Å; F199-R209 HydrophobicContact CG-CB 4.47Å; R209-N278 PolarHBondContact N-O 3.35Å; R209-N278 VanDerWaalsContact N-O 3.1Å; R209-K279 CarbonylContact O-C 3.54Å; R209-K279 WeakPolarHBondContact O-CA 3.48Å; R209-K279 WeakPolarHBondContact O-CB 3.23Å; R209-W280 PolarHBondContact O-N 3.21Å
210	T	96.9	Very high	91.8	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.012	28%	0.284	C	S	.	.			trans	-67.1	151.3	167.5	47.6	0	0	0	0	111.7	A197 I198 Q212 W217 L218 F283	A197-T210 VanDerWaalsContact CA-OG1 3.27Å; A197-T210 WeakPolarHBondContact CA-OG1 3.47Å; A197-T210 WeakPolarHBondContact CB-OG1 3.28Å; I198-T210 HydrophobicContact CB-CG2 3.84Å; I198-T210 HydrophobicContact CG1-CG2 4.39Å; I198-T210 PolarHBondContact N-OG1 3.49Å; I198-T210 PolarHBondContact O-N 2.04Å; I198-T210 VanDerWaalsContact O-N 3.09Å; T210-Q212 PolarHBondContact O-N 2.79Å; T210-Q212 VanDerWaalsContact O-N 3.15Å; T210-W217 HydrophobicContact CG2-CE3 3.91Å; T210-W217 HydrophobicContact CG2-CZ3 4.33Å; T210-L218 HydrophobicContact CG2-CD1 4.04Å; T210-F283 HydrophobicContact CG2-CD2 4.16Å; T210-F283 HydrophobicContact CG2-CE2 4.22Å
211	D	94.9	Very high	91.8	Very high	11 Å²	11	57.7 Å²	57.7	6%	0.059	28%	0.284	C	S	.	.			trans	-61.8	114.5	-179.8	-163.4	19.2	0	0	0	110.6	N214 W217 K279 R402	D211-N214 HydrophobicContact CB-CB 4.01Å; D211-N214 PolarHBondContact O-N 3.29Å; D211-N214 PolarHBondContact OD2-ND2 2.8Å; D211-W217 HydrophobicContact CB-CD2 3.79Å; D211-W217 HydrophobicContact CB-CE3 4.12Å; D211-W217 HydrophobicContact CB-CG 4.24Å; D211-W217 HydrophobicContact CB-CH2 4.07Å; D211-W217 HydrophobicContact CB-CZ2 3.8Å; D211-W217 HydrophobicContact CB-CZ3 4.25Å; D211-W217 VanDerWaalsContact N-CE3 3.34Å; D211-K279 HydrophobicContact CB-CD 4.24Å; D211-K279 WeakPolarHBondContact OD1-CD 3.19Å; D211-K279 VanDerWaalsContact OD1-CE 3.29Å; D211-K279 WeakPolarHBondContact OD1-CE 3.28Å; D211-K279 IonicContact OD1-NZ 3.13Å; D211-K279 PolarHBondContact OD1-NZ 3.27Å; D211-R402 IonicContact OD2-CZ 2.71Å; D211-R402 IonicContact OD2-NE 3.18Å; D211-R402 PolarHBondContact OD2-NE 3.03Å; D211-R402 VanDerWaalsContact OD2-NE 3.13Å; D211-R402 IonicContact OD2-NH2 2.97Å
212	Q	91.7	Very high	91.9	Very high	81 Å²	81	60.3 Å²	60.3	38%	0.379	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	142.8	-175.2	-164.1	-179.2	17.8	0	0	110.7	D195 T210 N214	D195-Q212 VanDerWaalsContact CG-NE2 3.33Å; D195-Q212 WeakPolarHBondContact OD1-CG 3.48Å; D195-Q212 PolarHBondContact OD1-NE2 3.2Å; D195-Q212 PolarHBondContact OD2-NE2 2.99Å; D195-Q212 VanDerWaalsContact OD2-NE2 3.09Å; T210-Q212 PolarHBondContact O-N 2.79Å; T210-Q212 VanDerWaalsContact O-N 3.15Å; Q212-N214 PolarHBondContact O-N 3.41Å; Q212-N214 VanDerWaalsContact O-N 3.1Å
213	H	85.8	Confident	92.2	Very high	172 Å²	172	58.8 Å²	58.8	80%	0.796	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	13.3	-179.4	-47.4	-59.7	0	0	0	115.1
214	N	90.3	Very high	92.6	Very high	31 Å²	31	58.2 Å²	58.2	17%	0.166	29%	0.285	C	S	.	.			trans	-102.7	96.6	176	-170.3	-16.9	0	0	0	110.2	D211 Q212 K216 W217	D211-N214 HydrophobicContact CB-CB 4.01Å; D211-N214 PolarHBondContact O-N 3.29Å; D211-N214 PolarHBondContact OD2-ND2 2.8Å; Q212-N214 PolarHBondContact O-N 3.41Å; Q212-N214 VanDerWaalsContact O-N 3.1Å; N214-K216 PolarHBondContact O-N 3.03Å; N214-K216 VanDerWaalsContact O-N 3.1Å; N214-K216 WeakPolarHBondContact OD1-CB 3.49Å; N214-K216 PolarHBondContact OD1-N 2.9Å; N214-W217 PolarHBondContact ND2-NE1 2.04Å; N214-W217 WeakPolarHBondContact O-CB 3.12Å; N214-W217 PolarHBondContact O-N 2.83Å
215	S	88.8	Confident	93.1	Very high	84 Å²	84	49.8 Å²	49.8	59%	0.587	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-16.7	-177.7	59.3	0	0	0	0	114.2	W217	S215-W217 PolarHBondContact O-N 3.07Å
216	K	90.9	Very high	93.5	Very high	103 Å²	103	43.8 Å²	43.8	45%	0.448	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.7	171.8	-59.3	-178.6	-178.2	-179.9	0	111.6	N214 K285 P405	N214-K216 PolarHBondContact O-N 3.03Å; N214-K216 VanDerWaalsContact O-N 3.1Å; N214-K216 WeakPolarHBondContact OD1-CB 3.49Å; N214-K216 PolarHBondContact OD1-N 2.9Å; K216-K285 VanDerWaalsContact O-CE 3.23Å; K216-K285 WeakPolarHBondContact O-CE 3.27Å; K216-K285 PolarHBondContact O-NZ 3.43Å; K216-P405 HydrophobicContact CB-CG 4.07Å; K216-P405 WeakPolarHBondContact O-CG 3.35Å
217	W	94.8	Very high	93.9	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-59.4	-178	-71.5	51.2	0	0	0	110.7	T210 D211 N214 S215 L276 W280 F283 K285 R402 P405	T210-W217 HydrophobicContact CG2-CE3 3.91Å; T210-W217 HydrophobicContact CG2-CZ3 4.33Å; D211-W217 HydrophobicContact CB-CD2 3.79Å; D211-W217 HydrophobicContact CB-CE3 4.12Å; D211-W217 HydrophobicContact CB-CG 4.24Å; D211-W217 HydrophobicContact CB-CH2 4.07Å; D211-W217 HydrophobicContact CB-CZ2 3.8Å; D211-W217 HydrophobicContact CB-CZ3 4.25Å; D211-W217 VanDerWaalsContact N-CE3 3.34Å; N214-W217 PolarHBondContact ND2-NE1 2.04Å; N214-W217 WeakPolarHBondContact O-CB 3.12Å; N214-W217 PolarHBondContact O-N 2.83Å; S215-W217 PolarHBondContact O-N 3.07Å; W217-L276 HydrophobicContact CH2-CD1 4.14Å; W217-L276 HydrophobicContact CH2-CD2 4.12Å; W217-L276 HydrophobicContact CZ2-CD1 4.1Å; W217-L276 HydrophobicContact CZ2-CD2 3.99Å; W217-W280 WeakPolarHBondContact CH2-O 3.35Å; W217-W280 HydrophobicContact CZ3-CB 4.12Å; W217-F283 HydrophobicContact CB-CE1 4.1Å; W217-F283 AromaticContact CD2-CD1 3.94Å; W217-F283 HydrophobicContact CD2-CD1 3.94Å; W217-F283 HydrophobicContact CD2-CE1 4.28Å; W217-F283 HydrophobicContact CE3-CB 4.26Å; W217-F283 AromaticContact CE3-CD1 3.53Å; W217-F283 HydrophobicContact CE3-CD1 3.53Å; W217-F283 HydrophobicContact CE3-CE1 4.07Å; W217-F283 AromaticContact CE3-CG 3.96Å; W217-F283 HydrophobicContact CE3-CG 3.96Å; W217-F283 HydrophobicContact CG-CD1 4.42Å; W217-F283 HydrophobicContact CG-CE1 4.31Å; W217-F283 HydrophobicContact CZ3-CB 3.95Å; W217-F283 HydrophobicContact CZ3-CD1 4.09Å; W217-F283 HydrophobicContact CZ3-CG 4.16Å; W217-K285 WeakPolarHBondContact O-CD 3.28Å; W217-K285 WeakPolarHBondContact O-CE 3.31Å; W217-K285 PolarHBondContact O-NZ 3.45Å; W217-R402 HydrophobicContact CZ2-CG 4.46Å; W217-R402 PolarHBondContact NE1-O 3.27Å; W217-P405 HydrophobicContact CG-CG 4.39Å
218	L	94.9	Very high	94.1	Very high	20 Å²	20	42.5 Å²	42.5	11%	0.105	22%	0.216	C	C	.	.			trans	-138.6	133.5	179.7	-65.3	174.5	0	0	0	109.7	T210 P221 F223 F244 F283	T210-L218 HydrophobicContact CG2-CD1 4.04Å; L218-P221 HydrophobicContact CB-CG 4.09Å; L218-P221 HydrophobicContact CD1-CG 4.38Å; L218-P221 HydrophobicContact CD2-CB 4.3Å; L218-P221 HydrophobicContact CD2-CG 4.31Å; L218-P221 HydrophobicContact CG-CG 4.5Å; L218-F223 HydrophobicContact CD1-CZ 4.29Å; L218-F244 HydrophobicContact CD2-CE1 4.46Å; L218-F244 HydrophobicContact CD2-CE2 3.82Å; L218-F244 HydrophobicContact CD2-CZ 3.77Å; L218-F283 HydrophobicContact CD2-CZ 4.34Å
219	S	92.6	Very high	93.9	Very high	18 Å²	18	42.9 Å²	42.9	13%	0.126	22%	0.218	C	C	.	.	S	Bend	trans	-127.8	98.3	178.4	-173.4	0	0	0	0	111	E246 K247	S219-E246 WeakPolarHBondContact O-CB 3.15Å; S219-K247 WeakPolarHBondContact CB-O 3.06Å; S219-K247 PolarHBondContact O-N 3.49Å; S219-K247 VanDerWaalsContact O-N 3.07Å; S219-K247 PolarHBondContact OG-O 2.97Å
220	E	92.3	Very high	93.6	Very high	106 Å²	106	44.4 Å²	44.4	50%	0.495	23%	0.233	S	C	.	.	S	Bend	trans	43.4	54.5	-173.9	-63.1	-179	-157.4	0	0	113	Y188 K247	Y188-E220 WeakPolarHBondContact OH-CA 3.11Å; E220-K247 HydrophobicContact CB-CB 4.29Å; E220-K247 HydrophobicContact CB-CD 4.37Å; E220-K247 VanDerWaalsContact OE2-CD 3.27Å; E220-K247 WeakPolarHBondContact OE2-CD 3.37Å; E220-K247 IonicContact OE2-NZ 2.72Å
221	P	95.1	Very high	93.1	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	24%	0.239	C	C	.	.			trans	-69	149.4	-174.4	32.9	-38.4	0	0	0	111.4	Y188 A196 L218 F223 F244 K245	Y188-P221 VanDerWaalsContact CE2-O 3.27Å; Y188-P221 WeakPolarHBondContact CE2-O 3.2Å; Y188-P221 PolarHBondContact OH-O 2.94Å; A196-P221 HydrophobicContact CB-CG 3.38Å; L218-P221 HydrophobicContact CB-CG 4.09Å; L218-P221 HydrophobicContact CD1-CG 4.38Å; L218-P221 HydrophobicContact CD2-CB 4.3Å; L218-P221 HydrophobicContact CD2-CG 4.31Å; L218-P221 HydrophobicContact CG-CG 4.5Å; P221-F223 HydrophobicContact CB-CE2 4.31Å; P221-F223 HydrophobicContact CB-CZ 4.17Å; P221-F223 HydrophobicContact CG-CE2 3.92Å; P221-F223 HydrophobicContact CG-CZ 3.9Å; P221-F244 HydrophobicContact CB-CD2 3.78Å; P221-F244 HydrophobicContact CB-CE2 4.31Å; P221-F244 HydrophobicContact CB-CG 4.46Å; P221-K245 CarbonylContact C-O 3.46Å; P221-K245 WeakPolarHBondContact CA-O 3.49Å
222	M	95.7	Very high	92.4	Very high	63 Å²	63	47.2 Å²	47.2	31%	0.31	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	105.3	167.1	-63.3	-178.4	-81.9	0	0	107.7	F244 K245	M222-F244 CarbonylContact O-C 3.55Å; M222-F244 VanDerWaalsContact O-CA 3.23Å; M222-F244 WeakPolarHBondContact O-CA 3.45Å; M222-F244 VanDerWaalsContact O-CB 3.26Å; M222-F244 WeakPolarHBondContact O-CB 3.14Å; M222-K245 HydrophobicContact CB-CG 3.89Å; M222-K245 HydrophobicContact CE-CD 3.83Å; M222-K245 HydrophobicContact CE-CG 3.8Å; M222-K245 PolarHBondContact N-O 3.13Å; M222-K245 PolarHBondContact O-N 3.36Å
223	F	97.4	Very high	92	Very high	3 Å²	3	50.3 Å²	50.3	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	136.7	-176.9	-60.7	-80.3	0	0	0	111.3	N173 V175 G186 I198 L218 P221 F244	N173-F223 WeakPolarHBondContact CB-O 3.4Å; N173-F223 PolarHBondContact ND2-O 2.89Å; V175-F223 HydrophobicContact CB-CB 4.09Å; V175-F223 HydrophobicContact CG2-CB 3.63Å; G186-F223 VanDerWaalsContact C-CE2 3.45Å; G186-F223 WeakPolarHBondContact O-CD2 3.26Å; I198-F223 HydrophobicContact CD1-CE1 4.29Å; I198-F223 HydrophobicContact CG1-CE1 3.74Å; I198-F223 HydrophobicContact CG1-CZ 4.11Å; L218-F223 HydrophobicContact CD1-CZ 4.29Å; P221-F223 HydrophobicContact CB-CE2 4.31Å; P221-F223 HydrophobicContact CB-CZ 4.17Å; P221-F223 HydrophobicContact CG-CE2 3.92Å; P221-F223 HydrophobicContact CG-CZ 3.9Å; F223-F244 HydrophobicContact CD1-CB 3.94Å; F223-F244 HydrophobicContact CD1-CD1 4.47Å; F223-F244 HydrophobicContact CD1-CG 4.36Å; F223-F244 HydrophobicContact CE1-CD1 4.49Å; F223-F244 HydrophobicContact CE1-CG 4.49Å; F223-F244 HydrophobicContact CG-CB 4.47Å
224	V	97.6	Very high	92	Very high	16 Å²	16	44.4 Å²	44.4	10%	0.097	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-55.3	-177.3	176.2	0	0	0	0	110.3	F243 L305 E306 V308	V224-F243 PolarHBondContact N-O 3.1Å; V224-L305 HydrophobicContact CB-CD2 4.21Å; V224-L305 HydrophobicContact CG1-CD2 4.33Å; V224-L305 HydrophobicContact CG1-CG 4.29Å; V224-L305 HydrophobicContact CG2-CB 4.46Å; V224-L305 HydrophobicContact CG2-CD2 4.12Å; V224-L305 HydrophobicContact CG2-CG 4.16Å; V224-E306 WeakPolarHBondContact CG1-O 3.36Å; V224-V308 HydrophobicContact CG1-CG2 4.4Å
225	D	97.2	Very high	91.9	Very high	32 Å²	32	48.1 Å²	48.1	17%	0.171	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	166.1	-177.8	-154.4	0.5	0	0	0	112.9	H227 F243 V308	D225-H227 IonicContact OD1-NE2 3.62Å; D225-H227 IonicContact OD2-CD2 2.64Å; D225-H227 IonicContact OD2-CE1 3.11Å; D225-H227 IonicContact OD2-NE2 3.75Å; D225-H227 PolarHBondContact OD2-NE2 3.36Å; D225-F243 PolarHBondContact N-O 2.85Å; D225-F243 PolarHBondContact O-N 2.81Å; D225-V308 HydrophobicContact CB-CB 4.38Å
226	A	97.6	Very high	91.9	Very high	5 Å²	5	47.3 Å²	47.3	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	143.4	174.9	0	0	0	0	0	112.6	V175 V177 Y241 F242	V175-A226 HydrophobicContact CG1-CB 3.34Å; V175-A226 VanDerWaalsContact CG1-N 3.28Å; V177-A226 HydrophobicContact CG2-CB 3.81Å; V177-A226 VanDerWaalsContact CG2-O 3.24Å; V177-A226 WeakPolarHBondContact CG2-O 3.47Å; A226-Y241 CarbonylContact C-O 3.51Å; A226-Y241 WeakPolarHBondContact CA-O 3.18Å; A226-Y241 WeakPolarHBondContact CB-O 3.44Å; A226-F242 HydrophobicContact CB-CD1 3.67Å; A226-F242 HydrophobicContact CB-CE1 3.77Å; A226-F242 HydrophobicContact CB-CG 4.21Å; A226-F242 HydrophobicContact CB-CZ 4.39Å
227	H	96.1	Very high	92	Very high	45 Å²	45	42.8 Å²	42.8	21%	0.208	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	145.5	-174.4	-67.9	-85.1	0	0	0	111.7	D225 I229 V240 Y241 L310	D225-H227 IonicContact OD1-NE2 3.62Å; D225-H227 IonicContact OD2-CD2 2.64Å; D225-H227 IonicContact OD2-CE1 3.11Å; D225-H227 IonicContact OD2-NE2 3.75Å; D225-H227 PolarHBondContact OD2-NE2 3.36Å; H227-I229 HydrophobicContact CB-CG1 4.21Å; H227-V240 WeakPolarHBondContact O-CA 3.26Å; H227-Y241 PolarHBondContact N-O 2.8Å; H227-Y241 PolarHBondContact O-N 2.83Å; H227-L310 HydrophobicContact CB-CD2 3.71Å
228	V	94.6	Very high	91.9	Very high	62 Å²	62	43.6 Å²	43.6	38%	0.376	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.1	166.7	-167.3	0	0	0	0	108.2	V177 I179	V177-V228 HydrophobicContact CG1-CG2 3.57Å; I179-V228 HydrophobicContact CD1-CG1 4.31Å; I179-V228 HydrophobicContact CD1-CG2 3.44Å; I179-V228 VanDerWaalsContact CD1-CG2 3.44Å; I179-V228 HydrophobicContact CG1-CG2 3.79Å
229	I	92.1	Very high	91.9	Very high	9 Å²	9	43 Å²	43	5%	0.046	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.3	-179.8	-52.6	-178.5	0	0	0	108.6	H227 K239 Y241 L310 L342	H227-I229 HydrophobicContact CB-CG1 4.21Å; I229-K239 PolarHBondContact N-O 2.63Å; I229-K239 PolarHBondContact O-N 3.22Å; I229-Y241 HydrophobicContact CB-CD2 3.71Å; I229-Y241 HydrophobicContact CB-CE2 3.75Å; I229-Y241 HydrophobicContact CD1-CD2 3.58Å; I229-Y241 HydrophobicContact CD1-CE2 4.06Å; I229-Y241 HydrophobicContact CD1-CG 3.87Å; I229-Y241 HydrophobicContact CG1-CD2 3.72Å; I229-Y241 HydrophobicContact CG1-CE2 4.23Å; I229-Y241 HydrophobicContact CG1-CG 4.41Å; I229-Y241 HydrophobicContact CG2-CE2 4.39Å; I229-L310 HydrophobicContact CD1-CD2 3.78Å; I229-L310 HydrophobicContact CG1-CD2 4.06Å; I229-L342 HydrophobicContact CD1-CD1 3.97Å; I229-L342 HydrophobicContact CG2-CD1 4.08Å; I229-L342 HydrophobicContact CG2-CD2 3.39Å; I229-L342 HydrophobicContact CG2-CG 4.35Å
230	P	88.6	Confident	92.1	Very high	68 Å²	68	42.1 Å²	42.1	44%	0.442	25%	0.25	S	C	.	.			trans	-59.2	137.3	171.2	-22.6	33.5	0	0	0	111.4
231	D	85.4	Confident	92.4	Very high	28 Å²	28	37.1 Å²	37.1	15%	0.15	23%	0.226	C	C	.	.			trans	-118.4	91.3	176.5	-162.6	-1	0	0	0	109.5	D237 K239 R264 Q346	D231-D237 HydrophobicContact CB-CB 4.4Å; D231-D237 WeakPolarHBondContact CB-O 3.5Å; D231-D237 WeakPolarHBondContact O-CB 3.4Å; D231-K239 WeakPolarHBondContact OD2-CE 3.49Å; D231-K239 IonicContact OD2-NZ 3.79Å; D231-K239 PolarHBondContact OD2-NZ 3.49Å; D231-R264 IonicContact OD2-NH1 3.93Å; D231-R264 PolarHBondContact OD2-NH1 3.5Å; D231-Q346 PolarHBondContact OD1-NE2 2.84Å
232	G	81.6	Confident	92.6	Very high	44 Å²	44	37 Å²	37	45%	0.454	23%	0.226	S	C	.	.	S	Bend	trans	89.2	-157	-173	0	0	0	0	0	112.9
233	T	82.6	Confident	92.7	Very high	145 Å²	145	34.1 Å²	34.1	89%	0.89	21%	0.212	S	C	*	.	S	Bend	trans	-96.4	-21	-175	52	0	0	0	0	113.3
234	D	87	Confident	92.7	Very high	48 Å²	48	34 Å²	34	26%	0.257	21%	0.211	S	C	.	.			trans	-80.9	124.4	179.8	-165.5	-44.9	0	0	0	110	N236 D237 A382	D234-N236 PolarHBondContact O-N 3.36Å; D234-N236 WeakPolarHBondContact OD1-CB 3.4Å; D234-N236 PolarHBondContact OD1-N 2.82Å; D234-D237 HydrophobicContact CB-CB 4.46Å; D234-D237 PolarHBondContact O-N 3.34Å; D234-D237 VanDerWaalsContact O-N 3.1Å; D234-A382 HydrophobicContact CB-CB 4.44Å
235	P	87.3	Confident	92.7	Very high	110 Å²	110	34 Å²	34	71%	0.714	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-57.7	-29.9	176.2	-24.8	34.7	0	0	0	114.2	D237 A238	P235-D237 PolarHBondContact O-N 2.81Å; P235-A238 VanDerWaalsContact O-CB 3.3Å; P235-A238 WeakPolarHBondContact O-CB 3.33Å; P235-A238 PolarHBondContact O-N 3.36Å
236	N	89.6	Confident	92.5	Very high	66 Å²	66	32.7 Å²	32.7	35%	0.353	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-71.5	-18	179.4	-68.4	-37.8	0	0	0	113.1	D234 A238 N268 C378 G380	D234-N236 PolarHBondContact O-N 3.36Å; D234-N236 WeakPolarHBondContact OD1-CB 3.4Å; D234-N236 PolarHBondContact OD1-N 2.82Å; N236-A238 VanDerWaalsContact C-N 3.31Å; N236-N268 PolarHBondContact OD1-ND2 3.38Å; N236-C378 VanDerWaalsContact O-CB 3.3Å; N236-C378 WeakPolarHBondContact O-CB 2.91Å; N236-G380 WeakPolarHBondContact CB-O 3.47Å; N236-G380 PolarHBondContact ND2-O 3.16Å
237	D	91.2	Very high	92.1	Very high	9 Å²	9	35.9 Å²	35.9	5%	0.048	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-83.3	-8.2	176.5	-77.5	-44	0	0	0	113	D231 D234 P235 K239 G381 A382	D231-D237 HydrophobicContact CB-CB 4.4Å; D231-D237 WeakPolarHBondContact CB-O 3.5Å; D231-D237 WeakPolarHBondContact O-CB 3.4Å; D234-D237 HydrophobicContact CB-CB 4.46Å; D234-D237 PolarHBondContact O-N 3.34Å; D234-D237 VanDerWaalsContact O-N 3.1Å; P235-D237 PolarHBondContact O-N 2.81Å; D237-K239 WeakPolarHBondContact O-CG 3.45Å; D237-K239 PolarHBondContact O-NZ 3.44Å; D237-G381 WeakPolarHBondContact OD1-CA 3.31Å; D237-A382 WeakPolarHBondContact OD2-CB 3.48Å; D237-A382 PolarHBondContact OD2-N 2.99Å
238	A	92.6	Very high	91.4	Very high	18 Å²	18	36.4 Å²	36.4	15%	0.149	22%	0.22	C	C	.	.			trans	-53.2	141.7	175	0	0	0	0	0	111.6	P235 N236 P267	P235-A238 VanDerWaalsContact O-CB 3.3Å; P235-A238 WeakPolarHBondContact O-CB 3.33Å; P235-A238 PolarHBondContact O-N 3.36Å; N236-A238 VanDerWaalsContact C-N 3.31Å; A238-P267 WeakPolarHBondContact O-CD 3.41Å
239	K	95.7	Very high	90.2	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.6	-177.3	-65.1	178.9	-176	65.5	0	110.8	I229 D231 D237 Y241 R264 I265	I229-K239 PolarHBondContact N-O 2.63Å; I229-K239 PolarHBondContact O-N 3.22Å; D231-K239 WeakPolarHBondContact OD2-CE 3.49Å; D231-K239 IonicContact OD2-NZ 3.79Å; D231-K239 PolarHBondContact OD2-NZ 3.49Å; D237-K239 WeakPolarHBondContact O-CG 3.45Å; D237-K239 PolarHBondContact O-NZ 3.44Å; K239-Y241 HydrophobicContact CB-CD2 4.2Å; K239-Y241 HydrophobicContact CB-CE2 3.76Å; K239-R264 HydrophobicContact CB-CB 4.4Å; K239-R264 HydrophobicContact CD-CB 4.43Å; K239-R264 HydrophobicContact CD-CG 4.17Å; K239-I265 CarbonylContact C-O 3.59Å; K239-I265 VanDerWaalsContact CA-O 3.3Å; K239-I265 WeakPolarHBondContact CA-O 3.42Å; K239-I265 WeakPolarHBondContact CB-O 3.45Å
240	V	97.8	Very high	88.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.1	168.3	-165.9	0	0	0	0	107.9	I179 F184 H227 F242 R264 I265 P267	I179-V240 HydrophobicContact CD1-CG2 3.52Å; F184-V240 HydrophobicContact CD1-CG2 4.34Å; H227-V240 WeakPolarHBondContact O-CA 3.26Å; V240-F242 HydrophobicContact CB-CE2 3.99Å; V240-F242 HydrophobicContact CG1-CD2 4.22Å; V240-F242 HydrophobicContact CG1-CE2 3.51Å; V240-F242 HydrophobicContact CG1-CZ 3.88Å; V240-R264 CarbonylContact O-C 3.54Å; V240-R264 VanDerWaalsContact O-CA 3.29Å; V240-R264 WeakPolarHBondContact O-CA 3.3Å; V240-I265 HydrophobicContact CB-CD1 4.38Å; V240-I265 HydrophobicContact CB-CG1 3.87Å; V240-I265 HydrophobicContact CG2-CG1 4.37Å; V240-I265 PolarHBondContact N-O 3.47Å; V240-I265 PolarHBondContact O-N 2.95Å; V240-P267 HydrophobicContact CG2-CG 3.91Å
241	Y	97.9	Very high	87.3	Confident	1 Å²	1	43.7 Å²	43.7	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.9	176.4	-74.9	-100.8	0	0	0	110	A226 H227 I229 K239 I262 A263 R264 I345 F349	A226-Y241 CarbonylContact C-O 3.51Å; A226-Y241 WeakPolarHBondContact CA-O 3.18Å; A226-Y241 WeakPolarHBondContact CB-O 3.44Å; H227-Y241 PolarHBondContact N-O 2.8Å; H227-Y241 PolarHBondContact O-N 2.83Å; I229-Y241 HydrophobicContact CB-CD2 3.71Å; I229-Y241 HydrophobicContact CB-CE2 3.75Å; I229-Y241 HydrophobicContact CD1-CD2 3.58Å; I229-Y241 HydrophobicContact CD1-CE2 4.06Å; I229-Y241 HydrophobicContact CD1-CG 3.87Å; I229-Y241 HydrophobicContact CG1-CD2 3.72Å; I229-Y241 HydrophobicContact CG1-CE2 4.23Å; I229-Y241 HydrophobicContact CG1-CG 4.41Å; I229-Y241 HydrophobicContact CG2-CE2 4.39Å; K239-Y241 HydrophobicContact CB-CD2 4.2Å; K239-Y241 HydrophobicContact CB-CE2 3.76Å; Y241-I262 HydrophobicContact CD1-CD1 3.59Å; Y241-I262 HydrophobicContact CD1-CG1 3.9Å; Y241-I262 HydrophobicContact CE1-CD1 4.16Å; Y241-A263 CarbonylContact C-O 3.51Å; Y241-A263 WeakPolarHBondContact CA-O 3Å; Y241-R264 HydrophobicContact CD1-CB 3.93Å; Y241-R264 HydrophobicContact CE1-CB 3.86Å; Y241-R264 HydrophobicContact CE2-CB 4.42Å; Y241-R264 HydrophobicContact CG-CB 4.29Å; Y241-I345 HydrophobicContact CE1-CG2 4.06Å; Y241-F349 HydrophobicContact CD1-CE2 4.44Å; Y241-F349 HydrophobicContact CE1-CD2 4.33Å; Y241-F349 AromaticContact CE1-CE2 3.79Å; Y241-F349 HydrophobicContact CE1-CE2 3.79Å
242	F	98.6	Very high	85.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.9	175.4	-71.4	-94.6	0	0	0	109.5	F184 I198 A226 V240 F244 I262 A263 I265	F184-F242 HydrophobicContact CB-CZ 4.21Å; I198-F242 HydrophobicContact CD1-CB 3.92Å; I198-F242 HydrophobicContact CD1-CD1 4.26Å; I198-F242 HydrophobicContact CD1-CD2 3.89Å; I198-F242 HydrophobicContact CD1-CG 3.75Å; I198-F242 HydrophobicContact CG1-CD1 4.25Å; I198-F242 HydrophobicContact CG1-CG 4.24Å; I198-F242 HydrophobicContact CG2-CD1 4.4Å; I198-F242 HydrophobicContact CG2-CD2 3.98Å; I198-F242 HydrophobicContact CG2-CE1 3.97Å; I198-F242 HydrophobicContact CG2-CE2 3.5Å; I198-F242 HydrophobicContact CG2-CG 4.41Å; I198-F242 HydrophobicContact CG2-CZ 3.5Å; A226-F242 HydrophobicContact CB-CD1 3.67Å; A226-F242 HydrophobicContact CB-CE1 3.77Å; A226-F242 HydrophobicContact CB-CG 4.21Å; A226-F242 HydrophobicContact CB-CZ 4.39Å; V240-F242 HydrophobicContact CB-CE2 3.99Å; V240-F242 HydrophobicContact CG1-CD2 4.22Å; V240-F242 HydrophobicContact CG1-CE2 3.51Å; V240-F242 HydrophobicContact CG1-CZ 3.88Å; F242-F244 HydrophobicContact CB-CD1 4.49Å; F242-I262 CarbonylContact O-C 3.53Å; F242-I262 WeakPolarHBondContact O-CA 3.27Å; F242-A263 PolarHBondContact N-O 3.47Å; F242-A263 PolarHBondContact O-N 3.4Å; F242-I265 HydrophobicContact CE2-CD1 3.81Å; F242-I265 HydrophobicContact CE2-CG1 4.05Å
243	F	98.6	Very high	84.5	Confident	1 Å²	1	57.8 Å²	57.8	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.6	177.2	-61.7	-94.2	0	0	0	109.2	V224 D225 I262 L288 L305 V308 L310 V321	V224-F243 PolarHBondContact N-O 3.1Å; D225-F243 PolarHBondContact N-O 2.85Å; D225-F243 PolarHBondContact O-N 2.81Å; F243-I262 HydrophobicContact CD1-CB 4.21Å; F243-I262 HydrophobicContact CD1-CD1 4.1Å; F243-I262 HydrophobicContact CD1-CG1 3.93Å; F243-I262 HydrophobicContact CE1-CB 4.27Å; F243-I262 HydrophobicContact CE1-CD1 3.33Å; F243-I262 HydrophobicContact CE1-CG1 3.68Å; F243-I262 HydrophobicContact CZ-CD1 3.58Å; F243-I262 HydrophobicContact CZ-CG1 4.08Å; F243-L288 HydrophobicContact CD1-CD1 3.99Å; F243-L288 HydrophobicContact CE1-CD1 4.29Å; F243-L305 HydrophobicContact CB-CD2 3.91Å; F243-V308 HydrophobicContact CB-CG2 3.94Å; F243-V308 HydrophobicContact CD1-CG1 4.22Å; F243-V308 HydrophobicContact CD1-CG2 3.83Å; F243-V308 HydrophobicContact CD2-CG1 4.29Å; F243-V308 HydrophobicContact CD2-CG2 4.5Å; F243-V308 HydrophobicContact CE1-CG1 4.08Å; F243-V308 HydrophobicContact CE1-CG2 4.44Å; F243-V308 HydrophobicContact CE2-CG1 4.19Å; F243-V308 HydrophobicContact CG-CB 4.43Å; F243-V308 HydrophobicContact CG-CG1 4.32Å; F243-V308 HydrophobicContact CG-CG2 3.85Å; F243-V308 HydrophobicContact CZ-CG1 4.07Å; F243-L310 HydrophobicContact CE2-CD1 4.48Å; F243-V321 HydrophobicContact CE1-CG1 3.99Å; F243-V321 HydrophobicContact CZ-CG1 4.12Å
244	F	98.3	Very high	83.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	165.7	-177.6	59.5	-82.1	0	0	0	110.7	L218 P221 M222 F223 F242 E246 M261 A263 K285	L218-F244 HydrophobicContact CD2-CE1 4.46Å; L218-F244 HydrophobicContact CD2-CE2 3.82Å; L218-F244 HydrophobicContact CD2-CZ 3.77Å; P221-F244 HydrophobicContact CB-CD2 3.78Å; P221-F244 HydrophobicContact CB-CE2 4.31Å; P221-F244 HydrophobicContact CB-CG 4.46Å; M222-F244 CarbonylContact O-C 3.55Å; M222-F244 VanDerWaalsContact O-CA 3.23Å; M222-F244 WeakPolarHBondContact O-CA 3.45Å; M222-F244 VanDerWaalsContact O-CB 3.26Å; M222-F244 WeakPolarHBondContact O-CB 3.14Å; F223-F244 HydrophobicContact CD1-CB 3.94Å; F223-F244 HydrophobicContact CD1-CD1 4.47Å; F223-F244 HydrophobicContact CD1-CG 4.36Å; F223-F244 HydrophobicContact CE1-CD1 4.49Å; F223-F244 HydrophobicContact CE1-CG 4.49Å; F223-F244 HydrophobicContact CG-CB 4.47Å; F242-F244 HydrophobicContact CB-CD1 4.49Å; F244-E246 HydrophobicContact CD2-CB 4.29Å; F244-E246 HydrophobicContact CE2-CB 4.22Å; F244-M261 HydrophobicContact CD1-CB 4.39Å; F244-M261 HydrophobicContact CD2-CB 3.99Å; F244-M261 HydrophobicContact CD2-CG 4.43Å; F244-M261 HydrophobicContact CE1-CB 4.05Å; F244-M261 HydrophobicContact CE2-CB 3.63Å; F244-M261 HydrophobicContact CE2-CG 3.97Å; F244-M261 HydrophobicContact CG-CB 4.36Å; F244-M261 HydrophobicContact CZ-CB 3.66Å; F244-M261 HydrophobicContact CZ-CG 4.36Å; F244-M261 PolarHBondContact N-O 3.25Å; F244-M261 WeakPolarHBondContact O-CA 3.28Å; F244-M261 PolarHBondContact O-N 3.21Å; F244-M261 VanDerWaalsContact O-O 3.04Å; F244-A263 HydrophobicContact CE1-CB 3.69Å; F244-A263 HydrophobicContact CZ-CB 4.31Å; F244-K285 HydrophobicContact CZ-CD 4.26Å
245	K	96.2	Very high	81.5	Confident	18 Å²	18	56.6 Å²	56.6	8%	0.078	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.5	166.2	54.2	-178.2	170.3	-176.5	0	109.8	P221 M222 I258 H259 E304 E306	P221-K245 CarbonylContact C-O 3.46Å; P221-K245 WeakPolarHBondContact CA-O 3.49Å; M222-K245 HydrophobicContact CB-CG 3.89Å; M222-K245 HydrophobicContact CE-CD 3.83Å; M222-K245 HydrophobicContact CE-CG 3.8Å; M222-K245 PolarHBondContact N-O 3.13Å; M222-K245 PolarHBondContact O-N 3.36Å; K245-I258 HydrophobicContact CB-CG2 3.98Å; K245-I258 HydrophobicContact CD-CG2 4.36Å; K245-H259 CarbonylContact C-O 3.48Å; K245-H259 WeakPolarHBondContact CA-O 3.38Å; K245-E304 HydrophobicContact CD-CB 4.08Å; K245-E304 HydrophobicContact CD-CG 4.35Å; K245-E304 IonicContact NZ-OE2 3.52Å; K245-E304 PolarHBondContact NZ-OE2 2.85Å; K245-E306 IonicContact NZ-OE1 2.64Å; K245-E306 PolarHBondContact NZ-OE1 3.25Å; K245-E306 IonicContact NZ-OE2 3.58Å
246	E	93.5	Very high	80.5	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.019	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.2	-178.4	73.7	-179.8	172.3	0	0	111.2	S219 F244 L248 I258 H259 M261 K285	S219-E246 WeakPolarHBondContact O-CB 3.15Å; F244-E246 HydrophobicContact CD2-CB 4.29Å; F244-E246 HydrophobicContact CE2-CB 4.22Å; E246-L248 HydrophobicContact CG-CG 4.49Å; E246-I258 WeakPolarHBondContact O-CA 3.44Å; E246-H259 PolarHBondContact N-O 3.5Å; E246-H259 PolarHBondContact O-N 3.27Å; E246-M261 HydrophobicContact CG-CG 3.71Å; E246-K285 IonicContact OE1-NZ 3.4Å; E246-K285 PolarHBondContact OE1-NZ 2.95Å; E246-K285 IonicContact OE2-NZ 3.07Å; E246-K285 PolarHBondContact OE2-NZ 3.31Å
247	K	88.8	Confident	80.2	Confident	72 Å²	72	60.1 Å²	60.1	31%	0.313	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.1	176.6	-72.1	168.8	-179.4	171.4	0	108.9	S219 E220 I258	S219-K247 WeakPolarHBondContact CB-O 3.06Å; S219-K247 PolarHBondContact O-N 3.49Å; S219-K247 VanDerWaalsContact O-N 3.07Å; S219-K247 PolarHBondContact OG-O 2.97Å; E220-K247 HydrophobicContact CB-CB 4.29Å; E220-K247 HydrophobicContact CB-CD 4.37Å; E220-K247 VanDerWaalsContact OE2-CD 3.27Å; E220-K247 WeakPolarHBondContact OE2-CD 3.37Å; E220-K247 IonicContact OE2-NZ 2.72Å; K247-I258 HydrophobicContact CG-CG1 4.12Å
248	L	81.3	Confident	80.2	Confident	56 Å²	56	60.7 Å²	60.7	29%	0.293	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.6	176.1	-67	162.2	0	0	0	108.6	E246 Q257 H259	E246-L248 HydrophobicContact CG-CG 4.49Å; L248-Q257 PolarHBondContact N-O 2.87Å; L248-Q257 PolarHBondContact O-N 2.58Å; L248-Q257 VanDerWaalsContact O-N 3.13Å; L248-H259 HydrophobicContact CD1-CB 3.94Å; L248-H259 WeakPolarHBondContact CD1-CD2 3.46Å
249	T	69.1	Low	80.3	Confident	81 Å²	81	61 Å²	61	50%	0.497	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.4	176.9	-37.2	0	0	0	0	107.6
250	D	63.3	Low	80.4	Confident	88 Å²	88	60.7 Å²	60.7	47%	0.471	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-67.3	154.8	171.3	-87.9	-34.7	0	0	0	111.3	N252 R253 T255	D250-N252 PolarHBondContact O-N 3.1Å; D250-R253 PolarHBondContact O-N 3.44Å; D250-T255 PolarHBondContact OD2-OG1 2.86Å
251	N	56.1	Low	80.4	Confident	122 Å²	122	60.8 Å²	60.8	65%	0.652	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.2	178.7	-76.2	-10	0	0	0	113.1
252	N	55.8	Low	80.4	Confident	144 Å²	144	60.7 Å²	60.7	77%	0.77	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	3.4	177.1	-102.4	6.7	0	0	0	115	D250 S254	D250-N252 PolarHBondContact O-N 3.1Å; N252-S254 PolarHBondContact O-N 2.99Å
253	R	53.7	Low	80.4	Confident	225 Å²	225	60.7 Å²	60.7	85%	0.849	30%	0.304	S	S	*	.	S	Bend	trans	53.8	6.3	177.9	-67.2	-175.1	173.4	-165.1	-1.1	116.4	D250	D250-R253 PolarHBondContact O-N 3.44Å
254	S	52.1	Low	80.4	Confident	93 Å²	93	61 Å²	61	65%	0.65	31%	0.306	S	S	*	.	S	Bend	trans	-99.1	-30.4	-174.2	56.4	0	0	0	0	113.8	N252	N252-S254 PolarHBondContact O-N 2.99Å
255	T	53.4	Low	80.4	Confident	75 Å²	75	61.1 Å²	61.1	46%	0.46	31%	0.306	S	S	.	.			trans	-110.9	116.2	179.5	39.1	0	0	0	0	110.9	D250	D250-T255 PolarHBondContact OD2-OG1 2.86Å
256	K	67.9	Low	80.4	Confident	168 Å²	168	60.3 Å²	60.3	73%	0.73	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	103.8	169.8	-67.9	-177.6	-179.6	-177.2	0	107.5
257	Q	82.6	Confident	80.4	Confident	82 Å²	82	60.8 Å²	60.8	38%	0.383	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	139.3	173.4	-167.2	167.6	17.3	0	0	109.3	L248 H259	L248-Q257 PolarHBondContact N-O 2.87Å; L248-Q257 PolarHBondContact O-N 2.58Å; L248-Q257 VanDerWaalsContact O-N 3.13Å; Q257-H259 PolarHBondContact NE2-CE1 3.23Å
258	I	91.5	Very high	80.7	Confident	20 Å²	20	59.9 Å²	59.9	10%	0.103	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.6	172.1	-61.3	171.9	0	0	0	107.2	K245 E246 K247 D303 E304	K245-I258 HydrophobicContact CB-CG2 3.98Å; K245-I258 HydrophobicContact CD-CG2 4.36Å; E246-I258 WeakPolarHBondContact O-CA 3.44Å; K247-I258 HydrophobicContact CG-CG1 4.12Å; I258-D303 VanDerWaalsContact O-CB 3.25Å; I258-D303 WeakPolarHBondContact O-CB 3.36Å; I258-E304 HydrophobicContact CB-CG 4.48Å; I258-E304 HydrophobicContact CD1-CG 4.05Å; I258-E304 WeakPolarHBondContact CD1-OE1 3.41Å; I258-E304 HydrophobicContact CG2-CG 4.11Å
259	H	93.8	Very high	81.3	Confident	24 Å²	24	57.2 Å²	57.2	11%	0.111	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.6	170	-78.4	-9.5	0	0	0	110.5	K245 E246 L248 Q257 M261 R287 D303	K245-H259 CarbonylContact C-O 3.48Å; K245-H259 WeakPolarHBondContact CA-O 3.38Å; E246-H259 PolarHBondContact N-O 3.5Å; E246-H259 PolarHBondContact O-N 3.27Å; L248-H259 HydrophobicContact CD1-CB 3.94Å; L248-H259 WeakPolarHBondContact CD1-CD2 3.46Å; Q257-H259 PolarHBondContact NE2-CE1 3.23Å; H259-M261 HydrophobicContact CB-SD 3.93Å; H259-R287 PolarHBondContact CE1-NE 3.1Å; H259-R287 PolarHBondContact CE1-NH1 3.28Å; H259-R287 PolarHBondContact CE1-NH2 2.94Å; H259-R287 VanDerWaalsContact CE1-NH2 3.25Å; H259-R287 PolarHBondContact ND1-NE 3.36Å; H259-R287 PolarHBondContact ND1-NH2 2.88Å; H259-R287 PolarHBondContact NE2-NH1 3.1Å; H259-D303 IonicContact ND1-OD1 3.13Å
260	S	97.9	Very high	82.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.7	167.3	-67.7	0	0	0	0	109.9	L288 D303 L305	S260-L288 PolarHBondContact O-N 2.66Å; S260-D303 PolarHBondContact N-O 3.23Å; S260-D303 PolarHBondContact OG-O 3.05Å; S260-L305 VanDerWaalsContact OG-CB 3.27Å; S260-L305 WeakPolarHBondContact OG-CB 3.49Å; S260-L305 PolarHBondContact OG-N 2.94Å
261	M	97.9	Very high	84.1	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.8	-170.3	-57	-56.7	-71.5	0	0	110.9	F244 E246 H259 K285 A286 R287 L406	F244-M261 HydrophobicContact CD1-CB 4.39Å; F244-M261 HydrophobicContact CD2-CB 3.99Å; F244-M261 HydrophobicContact CD2-CG 4.43Å; F244-M261 HydrophobicContact CE1-CB 4.05Å; F244-M261 HydrophobicContact CE2-CB 3.63Å; F244-M261 HydrophobicContact CE2-CG 3.97Å; F244-M261 HydrophobicContact CG-CB 4.36Å; F244-M261 HydrophobicContact CZ-CB 3.66Å; F244-M261 HydrophobicContact CZ-CG 4.36Å; F244-M261 PolarHBondContact N-O 3.25Å; F244-M261 WeakPolarHBondContact O-CA 3.28Å; F244-M261 PolarHBondContact O-N 3.21Å; F244-M261 VanDerWaalsContact O-O 3.04Å; E246-M261 HydrophobicContact CG-CG 3.71Å; H259-M261 HydrophobicContact CB-SD 3.93Å; M261-K285 HydrophobicContact CE-CB 4.35Å; M261-K285 HydrophobicContact CE-CD 3.81Å; M261-K285 HydrophobicContact CE-CG 3.94Å; M261-A286 WeakPolarHBondContact CA-O 3.22Å; M261-R287 HydrophobicContact SD-CB 4.1Å; M261-R287 HydrophobicContact SD-CG 4.39Å; M261-L406 HydrophobicContact CE-CD1 3.65Å
262	I	98.6	Very high	85.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.9	165.6	-172.2	179.2	0	0	0	108.1	Y241 F242 F243 K285 A286 L288 I345 F349 I411	Y241-I262 HydrophobicContact CD1-CD1 3.59Å; Y241-I262 HydrophobicContact CD1-CG1 3.9Å; Y241-I262 HydrophobicContact CE1-CD1 4.16Å; F242-I262 CarbonylContact O-C 3.53Å; F242-I262 WeakPolarHBondContact O-CA 3.27Å; F243-I262 HydrophobicContact CD1-CB 4.21Å; F243-I262 HydrophobicContact CD1-CD1 4.1Å; F243-I262 HydrophobicContact CD1-CG1 3.93Å; F243-I262 HydrophobicContact CE1-CB 4.27Å; F243-I262 HydrophobicContact CE1-CD1 3.33Å; F243-I262 HydrophobicContact CE1-CG1 3.68Å; F243-I262 HydrophobicContact CZ-CD1 3.58Å; F243-I262 HydrophobicContact CZ-CG1 4.08Å; I262-K285 CarbonylContact O-C 3.54Å; I262-K285 WeakPolarHBondContact O-CA 3.46Å; I262-A286 HydrophobicContact CG2-CB 4.32Å; I262-A286 PolarHBondContact N-O 3.02Å; I262-A286 PolarHBondContact O-N 3.29Å; I262-L288 HydrophobicContact CB-CD1 3.92Å; I262-L288 HydrophobicContact CB-CG 4.19Å; I262-L288 HydrophobicContact CG2-CD1 4.29Å; I262-L288 HydrophobicContact CG2-CD2 4.4Å; I262-L288 HydrophobicContact CG2-CG 4.01Å; I262-I345 HydrophobicContact CD1-CD1 4.15Å; I262-I345 HydrophobicContact CD1-CG2 3.82Å; I262-F349 HydrophobicContact CG2-CE2 4.2Å; I262-F349 HydrophobicContact CG2-CZ 4.06Å; I262-I411 HydrophobicContact CG2-CD1 3.37Å
263	A	98.5	Very high	87.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158.7	172.6	0	0	0	0	0	111.3	Y241 F242 F244 F283 L284 K285	Y241-A263 CarbonylContact C-O 3.51Å; Y241-A263 WeakPolarHBondContact CA-O 3Å; F242-A263 PolarHBondContact N-O 3.47Å; F242-A263 PolarHBondContact O-N 3.4Å; F244-A263 HydrophobicContact CE1-CB 3.69Å; F244-A263 HydrophobicContact CZ-CB 4.31Å; A263-F283 HydrophobicContact CB-CD2 4.35Å; A263-F283 HydrophobicContact CB-CE2 3.57Å; A263-F283 HydrophobicContact CB-CZ 4.08Å; A263-L284 CarbonylContact C-O 3.52Å; A263-L284 WeakPolarHBondContact CA-O 3.44Å; A263-L284 WeakPolarHBondContact CB-O 3.47Å; A263-K285 HydrophobicContact CB-CB 3.88Å
264	R	97.7	Very high	89.5	Confident	8 Å²	8	41.2 Å²	41.2	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.8	174.4	71.4	-174.4	-167.9	167.3	-1.7	111.6	D231 K239 V240 Y241 L284 F349	D231-R264 IonicContact OD2-NH1 3.93Å; D231-R264 PolarHBondContact OD2-NH1 3.5Å; K239-R264 HydrophobicContact CB-CB 4.4Å; K239-R264 HydrophobicContact CD-CB 4.43Å; K239-R264 HydrophobicContact CD-CG 4.17Å; V240-R264 CarbonylContact O-C 3.54Å; V240-R264 VanDerWaalsContact O-CA 3.29Å; V240-R264 WeakPolarHBondContact O-CA 3.3Å; Y241-R264 HydrophobicContact CD1-CB 3.93Å; Y241-R264 HydrophobicContact CE1-CB 3.86Å; Y241-R264 HydrophobicContact CE2-CB 4.42Å; Y241-R264 HydrophobicContact CG-CB 4.29Å; R264-L284 PolarHBondContact N-O 3.18Å; R264-L284 PolarHBondContact O-N 2.95Å; R264-F349 HydrophobicContact CB-CZ 4.41Å; R264-F349 HydrophobicContact CG-CD1 4.14Å; R264-F349 HydrophobicContact CG-CE1 3.94Å; R264-F349 HydrophobicContact CG-CE2 4.42Å; R264-F349 HydrophobicContact CG-CG 4.46Å; R264-F349 HydrophobicContact CG-CZ 4.09Å; R264-F349 VanDerWaalsContact NH2-CB 3.28Å
265	I	97.9	Very high	91.4	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	155.4	173.1	58.7	170.9	0	0	0	110.4	F184 I198 K239 V240 F242 W280 F283	F184-I265 HydrophobicContact CD1-CD1 3.87Å; F184-I265 HydrophobicContact CE1-CD1 4.26Å; I198-I265 HydrophobicContact CG2-CD1 4.09Å; K239-I265 CarbonylContact C-O 3.59Å; K239-I265 VanDerWaalsContact CA-O 3.3Å; K239-I265 WeakPolarHBondContact CA-O 3.42Å; K239-I265 WeakPolarHBondContact CB-O 3.45Å; V240-I265 HydrophobicContact CB-CD1 4.38Å; V240-I265 HydrophobicContact CB-CG1 3.87Å; V240-I265 HydrophobicContact CG2-CG1 4.37Å; V240-I265 PolarHBondContact N-O 3.47Å; V240-I265 PolarHBondContact O-N 2.95Å; F242-I265 HydrophobicContact CE2-CD1 3.81Å; F242-I265 HydrophobicContact CE2-CG1 4.05Å; I265-W280 HydrophobicContact CB-CE3 4.44Å; I265-W280 HydrophobicContact CD1-CD2 4.21Å; I265-W280 HydrophobicContact CD1-CE3 4.29Å; I265-W280 HydrophobicContact CD1-CH2 3.78Å; I265-W280 HydrophobicContact CD1-CZ2 3.66Å; I265-W280 HydrophobicContact CD1-CZ3 4.1Å; I265-W280 HydrophobicContact CG2-CD2 4.21Å; I265-W280 HydrophobicContact CG2-CG 4.18Å; I265-F283 HydrophobicContact CG2-CB 4.01Å; I265-F283 HydrophobicContact CG2-CD2 3.87Å; I265-F283 HydrophobicContact CG2-CG 4.45Å
266	C	96.3	Very high	93.4	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	17%	0.169	C	C	.	.			trans	-85.9	127.9	171.3	-63.3	0	0	0	0	110.3	N268 D269 T282 C378	C266-N268 PolarHBondContact O-N 2.87Å; C266-D269 HydrophobicContact CB-CB 4.36Å; C266-D269 VanDerWaalsContact O-CB 3.23Å; C266-D269 WeakPolarHBondContact O-CB 3.33Å; C266-D269 PolarHBondContact O-N 2.76Å; C266-D269 VanDerWaalsContact O-N 3.11Å; C266-T282 HydrophobicContact CB-CG2 3.95Å; C266-T282 PolarHBondContact N-OG1 3.3Å; C266-C378 HydrophobicContact CB-CB 3.72Å; C266-C378 WeakPolarHBondContact CB-SG 3.23Å; C266-C378 WeakPolarHBondContact SG-CA 3.49Å; C266-C378 WeakPolarHBondContact SG-CB 3.41Å; C266-C378 PolarHBondContact SG-N 3.37Å; C266-C378 CovalentContact SG-SG 2.04Å; C266-C378 PolarHBondContact SG-SG 3.08Å
267	P	95.1	Very high	94.7	Very high	15 Å²	15	31.1 Å²	31.1	10%	0.097	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-37	179.2	-23.2	30.4	0	0	0	113.2	I179 F184 R200 A238 V240 D269	I179-P267 HydrophobicContact CD1-CB 4.44Å; I179-P267 HydrophobicContact CD1-CG 4.34Å; F184-P267 HydrophobicContact CZ-CB 4.1Å; R200-P267 PolarHBondContact NH1-O 2.65Å; A238-P267 WeakPolarHBondContact O-CD 3.41Å; V240-P267 HydrophobicContact CG2-CG 3.91Å; P267-D269 VanDerWaalsContact C-N 3.28Å; P267-D269 PolarHBondContact O-N 2.66Å
268	N	93.4	Very high	95.3	Very high	53 Å²	53	30.1 Å²	30.1	28%	0.283	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	3.6	-177.8	-71.7	-18.9	0	0	0	114.6	N236 C266 T270 P379	N236-N268 PolarHBondContact OD1-ND2 3.38Å; C266-N268 PolarHBondContact O-N 2.87Å; N268-T270 PolarHBondContact O-N 2.97Å; N268-P379 HydrophobicContact CB-CG 4.18Å
269	D	95.6	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.			trans	-66.7	130.6	178.8	-175.4	-13.5	0	0	0	111	R200 C266 P267 G271 W280 T281 T282 T390	R200-D269 PolarHBondContact NH1-O 3.25Å; R200-D269 PolarHBondContact NH2-O 3.33Å; C266-D269 HydrophobicContact CB-CB 4.36Å; C266-D269 VanDerWaalsContact O-CB 3.23Å; C266-D269 WeakPolarHBondContact O-CB 3.33Å; C266-D269 PolarHBondContact O-N 2.76Å; C266-D269 VanDerWaalsContact O-N 3.11Å; P267-D269 VanDerWaalsContact C-N 3.28Å; P267-D269 PolarHBondContact O-N 2.66Å; D269-G271 PolarHBondContact OD1-N 3.41Å; D269-W280 HydrophobicContact CB-CE3 3.77Å; D269-W280 HydrophobicContact CB-CZ3 3.88Å; D269-T281 VanDerWaalsContact CG-OG1 3.3Å; D269-T281 PolarHBondContact OD1-N 3.34Å; D269-T281 PolarHBondContact OD1-OG1 3.02Å; D269-T281 PolarHBondContact OD2-N 3.41Å; D269-T281 PolarHBondContact OD2-OG1 3.43Å; D269-T282 HydrophobicContact CB-CG2 4.31Å; D269-T282 WeakPolarHBondContact OD2-CB 3.13Å; D269-T282 WeakPolarHBondContact OD2-CG2 3.24Å; D269-T282 PolarHBondContact OD2-N 3.27Å; D269-T282 PolarHBondContact OD2-OG1 3.27Å; D269-T390 HydrophobicContact CB-CG2 4.09Å; D269-T390 PolarHBondContact OD1-OG1 2.8Å
270	T	94.6	Very high	95.7	Very high	26 Å²	26	30.7 Å²	30.7	16%	0.16	16%	0.155	C	C	.	.			trans	-116.2	6.8	-175.1	51.6	0	0	0	0	112.5	N268 T389 T390	N268-T270 PolarHBondContact O-N 2.97Å; T270-T389 PolarHBondContact OG1-OG1 2.85Å; T270-T390 PolarHBondContact N-OG1 3.46Å; T270-T390 PolarHBondContact OG1-OG1 2.84Å
271	G	95.5	Very high	95.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.			trans	77	169.3	-170.4	0	0	0	0	0	113.8	D269 K279 T390 K391	D269-G271 PolarHBondContact OD1-N 3.41Å; G271-K279 WeakPolarHBondContact CA-O 3.47Å; G271-T390 PolarHBondContact N-OG1 2.96Å; G271-T390 PolarHBondContact O-OG1 2.88Å; G271-K391 WeakPolarHBondContact O-CG 3.42Å
272	G	94.8	Very high	95.7	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.031	16%	0.155	C	C	.	.			trans	-79.9	164	-176.8	0	0	0	0	0	113	S275 L276 T281	G272-S275 CarbonylContact C-O 3.45Å; G272-S275 VanDerWaalsContact CA-O 3.23Å; G272-S275 WeakPolarHBondContact CA-O 3.37Å; G272-L276 PolarHBondContact N-O 3.49Å; G272-T281 VanDerWaalsContact N-CG2 3.26Å
273	L	93.8	Very high	95.7	Very high	110 Å²	110	30.7 Å²	30.7	58%	0.576	16%	0.155	S	C	*	.	S	Bend	trans	-73.8	-46.7	-177.8	-179.2	63.1	0	0	0	112.8	K391	L273-K391 HydrophobicContact CB-CB 4.33Å
274	R	91.7	Very high	95.7	Very high	184 Å²	184	30.7 Å²	30.7	69%	0.694	16%	0.155	S	C	*	.	S	Bend	trans	-115.9	-52.2	-177.3	-62.8	174.9	180	155.7	-4.8	112	V277 D395	R274-V277 WeakPolarHBondContact O-CG2 3.44Å; R274-D395 IonicContact NH1-OD2 3.17Å; R274-D395 PolarHBondContact NH1-OD2 2.86Å
275	S	91.9	Very high	95.7	Very high	42 Å²	42	30.6 Å²	30.6	29%	0.294	16%	0.155	S	C	.	.	S	Bend	trans	-92.6	152.4	172.2	-73.3	0	0	0	0	110.2	G272 V277	G272-S275 CarbonylContact C-O 3.45Å; G272-S275 VanDerWaalsContact CA-O 3.23Å; G272-S275 WeakPolarHBondContact CA-O 3.37Å; S275-V277 PolarHBondContact O-N 3.3Å
276	L	94.6	Very high	95.7	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.042	15%	0.154	C	C	.	.	S	Bend	trans	52.4	36.7	-178.7	-63.6	-177.5	0	0	0	113.7	W217 G272 N278 K279 T281 V398 I401 R402	W217-L276 HydrophobicContact CH2-CD1 4.14Å; W217-L276 HydrophobicContact CH2-CD2 4.12Å; W217-L276 HydrophobicContact CZ2-CD1 4.1Å; W217-L276 HydrophobicContact CZ2-CD2 3.99Å; G272-L276 PolarHBondContact N-O 3.49Å; L276-N278 PolarHBondContact O-N 2.97Å; L276-K279 HydrophobicContact CB-CB 3.98Å; L276-K279 HydrophobicContact CD2-CB 3.92Å; L276-K279 HydrophobicContact CD2-CD 3.84Å; L276-K279 PolarHBondContact O-N 2.04Å; L276-K279 VanDerWaalsContact O-O 3.1Å; L276-T281 HydrophobicContact CB-CG2 4.21Å; L276-T281 HydrophobicContact CD1-CG2 4.42Å; L276-V398 HydrophobicContact CB-CG1 3.95Å; L276-V398 HydrophobicContact CD1-CG1 3.9Å; L276-V398 HydrophobicContact CG-CG1 3.98Å; L276-I401 HydrophobicContact CD1-CG2 3.98Å; L276-R402 HydrophobicContact CD1-CB 4.04Å; L276-R402 HydrophobicContact CD2-CB 4.33Å; L276-R402 HydrophobicContact CD2-CG 3.98Å; L276-R402 HydrophobicContact CG-CB 4.37Å
277	V	95.4	Very high	95.8	Very high	74 Å²	74	32.7 Å²	32.7	45%	0.448	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	127.7	172	-178.6	0	0	0	0	108.7	R274 S275 K279	R274-V277 WeakPolarHBondContact O-CG2 3.44Å; S275-V277 PolarHBondContact O-N 3.3Å; V277-K279 PolarHBondContact O-N 3.03Å
278	N	94.8	Very high	95.9	Very high	62 Å²	62	32.1 Å²	32.1	33%	0.332	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	26.2	-175.8	-57.8	-22.2	0	0	0	113.5	N206 A207 V208 R209 L276	N206-N278 WeakPolarHBondContact CB-OD1 3.44Å; N206-N278 PolarHBondContact ND2-OD1 3.08Å; N206-N278 VanDerWaalsContact ND2-OD1 3.09Å; A207-N278 WeakPolarHBondContact O-CB 3.48Å; V208-N278 WeakPolarHBondContact CA-O 3.49Å; R209-N278 PolarHBondContact N-O 3.35Å; R209-N278 VanDerWaalsContact N-O 3.1Å; L276-N278 PolarHBondContact O-N 2.97Å
279	K	97	Very high	96.1	Very high	56 Å²	56	29.7 Å²	29.7	24%	0.243	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-127.9	148.7	175.3	-64	171.3	-177	176	0	111	V208 R209 D211 G271 L276 V277 T281	V208-K279 VanDerWaalsContact CG1-C 3.4Å; R209-K279 CarbonylContact O-C 3.54Å; R209-K279 WeakPolarHBondContact O-CA 3.48Å; R209-K279 WeakPolarHBondContact O-CB 3.23Å; D211-K279 HydrophobicContact CB-CD 4.24Å; D211-K279 WeakPolarHBondContact OD1-CD 3.19Å; D211-K279 VanDerWaalsContact OD1-CE 3.29Å; D211-K279 WeakPolarHBondContact OD1-CE 3.28Å; D211-K279 IonicContact OD1-NZ 3.13Å; D211-K279 PolarHBondContact OD1-NZ 3.27Å; G271-K279 WeakPolarHBondContact CA-O 3.47Å; L276-K279 HydrophobicContact CB-CB 3.98Å; L276-K279 HydrophobicContact CD2-CB 3.92Å; L276-K279 HydrophobicContact CD2-CD 3.84Å; L276-K279 PolarHBondContact O-N 2.04Å; L276-K279 VanDerWaalsContact O-O 3.1Å; V277-K279 PolarHBondContact O-N 3.03Å; K279-T281 PolarHBondContact O-N 2.76Å
280	W	97.7	Very high	96.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.			trans	-59.1	128.4	-176.8	-60.2	114.4	0	0	0	111.6	F184 I198 R200 V208 R209 W217 I265 D269 F283	F184-W280 HydrophobicContact CD1-CH2 4.05Å; F184-W280 HydrophobicContact CD1-CZ2 4.42Å; F184-W280 AromaticContact CE1-CH2 3.75Å; F184-W280 HydrophobicContact CE1-CH2 3.75Å; F184-W280 HydrophobicContact CE1-CZ3 4.47Å; I198-W280 PolarHBondContact O-NE1 3.03Å; R200-W280 HydrophobicContact CB-CH2 3.62Å; R200-W280 HydrophobicContact CB-CZ2 3.79Å; V208-W280 HydrophobicContact CB-CD2 4.33Å; V208-W280 HydrophobicContact CB-CE3 4.22Å; V208-W280 HydrophobicContact CB-CH2 4.02Å; V208-W280 HydrophobicContact CB-CZ2 4.15Å; V208-W280 HydrophobicContact CB-CZ3 4.06Å; V208-W280 HydrophobicContact CG1-CB 4.45Å; V208-W280 HydrophobicContact CG1-CD2 3.43Å; V208-W280 VanDerWaalsContact CG1-CD2 3.43Å; V208-W280 HydrophobicContact CG1-CE3 3.45Å; V208-W280 VanDerWaalsContact CG1-CE3 3.45Å; V208-W280 HydrophobicContact CG1-CG 3.92Å; V208-W280 HydrophobicContact CG1-CH2 4.13Å; V208-W280 HydrophobicContact CG1-CZ2 4.14Å; V208-W280 HydrophobicContact CG1-CZ3 3.8Å; R209-W280 PolarHBondContact O-N 3.21Å; W217-W280 WeakPolarHBondContact CH2-O 3.35Å; W217-W280 HydrophobicContact CZ3-CB 4.12Å; I265-W280 HydrophobicContact CB-CE3 4.44Å; I265-W280 HydrophobicContact CD1-CD2 4.21Å; I265-W280 HydrophobicContact CD1-CE3 4.29Å; I265-W280 HydrophobicContact CD1-CH2 3.78Å; I265-W280 HydrophobicContact CD1-CZ2 3.66Å; I265-W280 HydrophobicContact CD1-CZ3 4.1Å; I265-W280 HydrophobicContact CG2-CD2 4.21Å; I265-W280 HydrophobicContact CG2-CG 4.18Å; D269-W280 HydrophobicContact CB-CE3 3.77Å; D269-W280 HydrophobicContact CB-CZ3 3.88Å; W280-F283 HydrophobicContact CB-CB 3.74Å; W280-F283 HydrophobicContact CG-CB 4.45Å
281	T	97.1	Very high	96.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	14%	0.138	C	C	.	.	S	Bend	trans	-99.6	0.5	172.8	57.9	0	0	0	0	112.7	D269 G272 L276 K279 T390 V398 I401	D269-T281 VanDerWaalsContact CG-OG1 3.3Å; D269-T281 PolarHBondContact OD1-N 3.34Å; D269-T281 PolarHBondContact OD1-OG1 3.02Å; D269-T281 PolarHBondContact OD2-N 3.41Å; D269-T281 PolarHBondContact OD2-OG1 3.43Å; G272-T281 VanDerWaalsContact N-CG2 3.26Å; L276-T281 HydrophobicContact CB-CG2 4.21Å; L276-T281 HydrophobicContact CD1-CG2 4.42Å; K279-T281 PolarHBondContact O-N 2.76Å; T281-T390 VanDerWaalsContact OG1-CB 3.22Å; T281-T390 WeakPolarHBondContact OG1-CB 3.44Å; T281-T390 VanDerWaalsContact OG1-CG2 3.29Å; T281-T390 WeakPolarHBondContact OG1-CG2 3.16Å; T281-V398 HydrophobicContact CG2-CG1 4.32Å; T281-V398 HydrophobicContact CG2-CG2 4.36Å; T281-I401 WeakPolarHBondContact O-CD1 3.4Å
282	T	97.4	Very high	95.8	Very high	1 Å²	1	31 Å²	31	1%	0.006	15%	0.153	C	C	.	.	S	Bend	trans	-122.2	4.2	-178.2	59	0	0	0	0	113.8	C266 D269 L284 T390 F393	C266-T282 HydrophobicContact CB-CG2 3.95Å; C266-T282 PolarHBondContact N-OG1 3.3Å; D269-T282 HydrophobicContact CB-CG2 4.31Å; D269-T282 WeakPolarHBondContact OD2-CB 3.13Å; D269-T282 WeakPolarHBondContact OD2-CG2 3.24Å; D269-T282 PolarHBondContact OD2-N 3.27Å; D269-T282 PolarHBondContact OD2-OG1 3.27Å; T282-L284 PolarHBondContact O-N 2.92Å; T282-T390 HydrophobicContact CG2-CG2 4.3Å; T282-F393 HydrophobicContact CG2-CE2 4.26Å
283	F	98.4	Very high	95.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.			trans	-69	119.9	-178.8	175	-94.7	0	0	0	112.2	I198 T210 W217 L218 A263 I265 W280 K285 I401 P405	I198-F283 HydrophobicContact CD1-CD2 4.33Å; I198-F283 HydrophobicContact CD1-CE2 3.73Å; T210-F283 HydrophobicContact CG2-CD2 4.16Å; T210-F283 HydrophobicContact CG2-CE2 4.22Å; W217-F283 HydrophobicContact CB-CE1 4.1Å; W217-F283 AromaticContact CD2-CD1 3.94Å; W217-F283 HydrophobicContact CD2-CD1 3.94Å; W217-F283 HydrophobicContact CD2-CE1 4.28Å; W217-F283 HydrophobicContact CE3-CB 4.26Å; W217-F283 AromaticContact CE3-CD1 3.53Å; W217-F283 HydrophobicContact CE3-CD1 3.53Å; W217-F283 HydrophobicContact CE3-CE1 4.07Å; W217-F283 AromaticContact CE3-CG 3.96Å; W217-F283 HydrophobicContact CE3-CG 3.96Å; W217-F283 HydrophobicContact CG-CD1 4.42Å; W217-F283 HydrophobicContact CG-CE1 4.31Å; W217-F283 HydrophobicContact CZ3-CB 3.95Å; W217-F283 HydrophobicContact CZ3-CD1 4.09Å; W217-F283 HydrophobicContact CZ3-CG 4.16Å; L218-F283 HydrophobicContact CD2-CZ 4.34Å; A263-F283 HydrophobicContact CB-CD2 4.35Å; A263-F283 HydrophobicContact CB-CE2 3.57Å; A263-F283 HydrophobicContact CB-CZ 4.08Å; I265-F283 HydrophobicContact CG2-CB 4.01Å; I265-F283 HydrophobicContact CG2-CD2 3.87Å; I265-F283 HydrophobicContact CG2-CG 4.45Å; W280-F283 HydrophobicContact CB-CB 3.74Å; W280-F283 HydrophobicContact CG-CB 4.45Å; F283-K285 HydrophobicContact CZ-CB 4.32Å; F283-K285 HydrophobicContact CZ-CD 4.39Å; F283-I401 WeakPolarHBondContact O-CD1 3.45Å; F283-P405 HydrophobicContact CD1-CB 3.92Å; F283-P405 HydrophobicContact CE1-CB 3.98Å
284	L	98.5	Very high	94.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.2	170.7	-65.2	179.1	0	0	0	110.5	A263 R264 T282 F349 F353 I401 P405 M407	A263-L284 CarbonylContact C-O 3.52Å; A263-L284 WeakPolarHBondContact CA-O 3.44Å; A263-L284 WeakPolarHBondContact CB-O 3.47Å; R264-L284 PolarHBondContact N-O 3.18Å; R264-L284 PolarHBondContact O-N 2.95Å; T282-L284 PolarHBondContact O-N 2.92Å; L284-F349 HydrophobicContact CB-CD1 3.92Å; L284-F349 HydrophobicContact CB-CE1 3.97Å; L284-F353 HydrophobicContact CD1-CE1 4.06Å; L284-F353 HydrophobicContact CD2-CD1 4.3Å; L284-F353 HydrophobicContact CD2-CE1 3.64Å; L284-I401 HydrophobicContact CD2-CD1 4.06Å; L284-I401 HydrophobicContact CD2-CG1 3.95Å; L284-I401 HydrophobicContact CG-CD1 4.36Å; L284-P405 CarbonylContact C-O 3.52Å; L284-P405 WeakPolarHBondContact CA-O 3.41Å; L284-M407 HydrophobicContact CB-SD 4.45Å; L284-M407 HydrophobicContact CD1-SD 4.09Å; L284-M407 HydrophobicContact CD2-SD 4.38Å
285	K	98.3	Very high	93.4	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.022	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.3	174.2	71.4	177.1	-177.7	178.8	0	113.1	K216 W217 F244 E246 M261 I262 A263 F283 P405 L406 M407	K216-K285 VanDerWaalsContact O-CE 3.23Å; K216-K285 WeakPolarHBondContact O-CE 3.27Å; K216-K285 PolarHBondContact O-NZ 3.43Å; W217-K285 WeakPolarHBondContact O-CD 3.28Å; W217-K285 WeakPolarHBondContact O-CE 3.31Å; W217-K285 PolarHBondContact O-NZ 3.45Å; F244-K285 HydrophobicContact CZ-CD 4.26Å; E246-K285 IonicContact OE1-NZ 3.4Å; E246-K285 PolarHBondContact OE1-NZ 2.95Å; E246-K285 IonicContact OE2-NZ 3.07Å; E246-K285 PolarHBondContact OE2-NZ 3.31Å; M261-K285 HydrophobicContact CE-CB 4.35Å; M261-K285 HydrophobicContact CE-CD 3.81Å; M261-K285 HydrophobicContact CE-CG 3.94Å; I262-K285 CarbonylContact O-C 3.54Å; I262-K285 WeakPolarHBondContact O-CA 3.46Å; A263-K285 HydrophobicContact CB-CB 3.88Å; F283-K285 HydrophobicContact CZ-CB 4.32Å; F283-K285 HydrophobicContact CZ-CD 4.39Å; K285-P405 PolarHBondContact N-O 3.23Å; K285-L406 HydrophobicContact CG-CB 4.5Å; K285-L406 HydrophobicContact CG-CD1 4.01Å; K285-L406 CarbonylContact O-C 3.58Å; K285-L406 WeakPolarHBondContact O-CA 3.41Å; K285-M407 WeakPolarHBondContact O-CG 3.4Å; K285-M407 PolarHBondContact O-N 3.12Å
286	A	98.3	Very high	91.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.7	177.1	0	0	0	0	0	110.6	M261 I262 V348 F349 M407 I411	M261-A286 WeakPolarHBondContact CA-O 3.22Å; I262-A286 HydrophobicContact CG2-CB 4.32Å; I262-A286 PolarHBondContact N-O 3.02Å; I262-A286 PolarHBondContact O-N 3.29Å; A286-V348 HydrophobicContact CB-CG1 3.86Å; A286-F349 HydrophobicContact CB-CE1 4.2Å; A286-F349 HydrophobicContact CB-CZ 4.24Å; A286-M407 HydrophobicContact CB-CB 3.97Å; A286-M407 HydrophobicContact CB-CG 4.01Å; A286-I411 HydrophobicContact CB-CD1 3.75Å; A286-I411 HydrophobicContact CB-CG1 4.36Å
287	R	97.3	Very high	90.6	Very high	46 Å²	46	41.9 Å²	41.9	17%	0.174	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.6	177.5	-175.2	-179.7	178.2	-172.4	-1.9	110.5	H259 M261 V289 D303 I411	H259-R287 PolarHBondContact CE1-NE 3.1Å; H259-R287 PolarHBondContact CE1-NH1 3.28Å; H259-R287 PolarHBondContact CE1-NH2 2.94Å; H259-R287 VanDerWaalsContact CE1-NH2 3.25Å; H259-R287 PolarHBondContact ND1-NE 3.36Å; H259-R287 PolarHBondContact ND1-NH2 2.88Å; H259-R287 PolarHBondContact NE2-NH1 3.1Å; M261-R287 HydrophobicContact SD-CB 4.1Å; M261-R287 HydrophobicContact SD-CG 4.39Å; R287-V289 HydrophobicContact CG-CG2 4.05Å; R287-D303 IonicContact NH2-OD1 3.6Å; R287-D303 PolarHBondContact NH2-OD1 2.93Å; R287-I411 PolarHBondContact O-N 2.67Å
288	L	97.9	Very high	90	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.6	164.9	-76.5	167.4	0	0	0	108.7	F243 S260 I262 F325 Y340 I411	F243-L288 HydrophobicContact CD1-CD1 3.99Å; F243-L288 HydrophobicContact CE1-CD1 4.29Å; S260-L288 PolarHBondContact O-N 2.66Å; I262-L288 HydrophobicContact CB-CD1 3.92Å; I262-L288 HydrophobicContact CB-CG 4.19Å; I262-L288 HydrophobicContact CG2-CD1 4.29Å; I262-L288 HydrophobicContact CG2-CD2 4.4Å; I262-L288 HydrophobicContact CG2-CG 4.01Å; L288-F325 HydrophobicContact CB-CE1 4.4Å; L288-F325 HydrophobicContact CB-CZ 4.4Å; L288-Y340 HydrophobicContact CD2-CD1 4.14Å; L288-Y340 HydrophobicContact CD2-CD2 4.35Å; L288-Y340 HydrophobicContact CD2-CE1 3.95Å; L288-Y340 HydrophobicContact CD2-CE2 4.2Å; L288-Y340 HydrophobicContact CD2-CG 4.33Å; L288-I411 HydrophobicContact CD2-CB 3.92Å; L288-I411 HydrophobicContact CD2-CD1 4.17Å; L288-I411 HydrophobicContact CD2-CG2 3.72Å
289	V	96.9	Very high	89.5	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.006	24%	0.235	C	C	.	.			trans	-109	124.4	180	175.6	0	0	0	0	109	R287 Y340 I411 Y412 P413	R287-V289 HydrophobicContact CG-CG2 4.05Å; V289-Y340 PolarHBondContact O-OH 3.34Å; V289-Y340 VanDerWaalsContact O-OH 3.07Å; V289-I411 PolarHBondContact N-O 2.81Å; V289-Y412 HydrophobicContact CB-CD1 4.15Å; V289-Y412 HydrophobicContact CB-CE1 4.08Å; V289-Y412 HydrophobicContact CG1-CD1 3.93Å; V289-Y412 HydrophobicContact CG1-CE1 3.6Å; V289-P413 WeakPolarHBondContact O-CD 3.5Å
290	C	96.7	Very high	89.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.246	C	C	.	.			trans	-122.2	107.2	166.4	-170.1	0	0	0	0	108	F302 F325 C338	C290-F302 HydrophobicContact CB-CB 4.44Å; C290-F302 PolarHBondContact O-N 2.86Å; C290-F325 HydrophobicContact CB-CB 4.1Å; C290-F325 HydrophobicContact CB-CD1 3.9Å; C290-F325 HydrophobicContact CB-CD2 3.57Å; C290-F325 HydrophobicContact CB-CE1 4.2Å; C290-F325 HydrophobicContact CB-CE2 3.93Å; C290-F325 HydrophobicContact CB-CG 3.57Å; C290-F325 HydrophobicContact CB-CZ 4.22Å; C290-C338 VanDerWaalsContact CA-SG 3.51Å; C290-C338 HydrophobicContact CB-CB 3.87Å; C290-C338 WeakPolarHBondContact CB-SG 3.5Å; C290-C338 WeakPolarHBondContact SG-CB 3.27Å; C290-C338 CovalentContact SG-SG 2.04Å; C290-C338 PolarHBondContact SG-SG 2.85Å
291	S	93.8	Very high	88.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.6	-176.1	53.5	0	0	0	0	112.5	E299 T300 P418	S291-E299 WeakPolarHBondContact CB-OE2 3.49Å; S291-E299 PolarHBondContact OG-OE2 2.63Å; S291-T300 CarbonylContact C-O 3.58Å; S291-T300 WeakPolarHBondContact CA-O 3.44Å; S291-T300 WeakPolarHBondContact CB-O 3.5Å; S291-P418 VanDerWaalsContact O-CD 3.3Å; S291-P418 WeakPolarHBondContact O-CD 3.23Å
292	V	90.5	Very high	88.7	Confident	53 Å²	53	46.4 Å²	46.4	32%	0.321	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.6	169.6	179.4	0	0	0	0	107.7	E299 T300 F302 P418 V421	V292-E299 CarbonylContact O-C 3.51Å; V292-E299 WeakPolarHBondContact O-CA 3.37Å; V292-T300 PolarHBondContact N-O 3.42Å; V292-T300 PolarHBondContact O-N 2.93Å; V292-F302 HydrophobicContact CG2-CE2 4.04Å; V292-P418 HydrophobicContact CG2-CG 3.72Å; V292-V421 HydrophobicContact CG2-CG2 3.88Å
293	T	84.3	Confident	88.5	Confident	80 Å²	80	46.7 Å²	46.7	49%	0.491	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.7	171.3	33.4	0	0	0	0	108.9	E299	T293-E299 HydrophobicContact CG2-CG 3.6Å
294	D	73.8	Confident	88.3	Confident	94 Å²	94	48.4 Å²	48.4	50%	0.503	27%	0.269	S	S	.	.			trans	-80.6	160.6	172.8	-150.7	-6.8	0	0	0	111.1	D296 G297 P298	D294-D296 PolarHBondContact O-N 2.9Å; D294-G297 PolarHBondContact O-N 2.89Å; D294-P298 HydrophobicContact CB-CG 4.47Å; D294-P298 PolarHBondContact N-O 3.3Å
295	E	69.9	Low	88.3	Confident	196 Å²	196	48.5 Å²	48.5	92%	0.916	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.5	179.4	-68.6	-168.5	166	0	0	112.2	G297	E295-G297 VanDerWaalsContact C-N 3.3Å; E295-G297 PolarHBondContact O-N 3.39Å
296	D	61.5	Low	88.3	Confident	150 Å²	150	50.9 Å²	50.9	80%	0.802	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	0.4	177.4	-67.5	-39.1	0	0	0	114	D294 P298	D294-D296 PolarHBondContact O-N 2.9Å; D296-P298 VanDerWaalsContact O-CD 3.26Å; D296-P298 WeakPolarHBondContact O-CD 3.32Å
297	G	67.6	Low	88.3	Confident	55 Å²	55	51.6 Å²	51.6	57%	0.567	28%	0.284	S	S	*	.	S	Bend	trans	97.4	-19.8	172.9	0	0	0	0	0	119.7	D294 E295	D294-G297 PolarHBondContact O-N 2.89Å; E295-G297 VanDerWaalsContact C-N 3.3Å; E295-G297 PolarHBondContact O-N 3.39Å
298	P	82.1	Confident	88.3	Confident	79 Å²	79	49.8 Å²	49.8	51%	0.513	28%	0.278	S	S	.	.			trans	-74.7	137.3	177	28.6	-31.9	0	0	0	111.6	D294 D296	D294-P298 HydrophobicContact CB-CG 4.47Å; D294-P298 PolarHBondContact N-O 3.3Å; D296-P298 VanDerWaalsContact O-CD 3.26Å; D296-P298 WeakPolarHBondContact O-CD 3.32Å
299	E	83.7	Confident	88.3	Confident	70 Å²	70	51.7 Å²	51.7	33%	0.327	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.1	174.5	-72.3	-167.5	-166.6	0	0	111.1	S291 V292 T293 H301	S291-E299 WeakPolarHBondContact CB-OE2 3.49Å; S291-E299 PolarHBondContact OG-OE2 2.63Å; V292-E299 CarbonylContact O-C 3.51Å; V292-E299 WeakPolarHBondContact O-CA 3.37Å; T293-E299 HydrophobicContact CG2-CG 3.6Å; E299-H301 PolarHBondContact O-CD2 2.93Å; E299-H301 IonicContact OE2-CE1 3.53Å; E299-H301 PolarHBondContact OE2-CE1 3.17Å; E299-H301 IonicContact OE2-NE2 2.83Å
300	T	88.6	Confident	88.2	Confident	79 Å²	79	52.8 Å²	52.8	49%	0.485	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111.2	167.5	-61.3	0	0	0	0	109.1	S291 V292	S291-T300 CarbonylContact C-O 3.58Å; S291-T300 WeakPolarHBondContact CA-O 3.44Å; S291-T300 WeakPolarHBondContact CB-O 3.5Å; V292-T300 PolarHBondContact N-O 3.42Å; V292-T300 PolarHBondContact O-N 2.93Å
301	H	91.4	Very high	88.1	Confident	56 Å²	56	53.4 Å²	53.4	26%	0.259	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138.7	-176.7	-65.3	-81.2	0	0	0	113.2	E299	E299-H301 PolarHBondContact O-CD2 2.93Å; E299-H301 IonicContact OE2-CE1 3.53Å; E299-H301 PolarHBondContact OE2-CE1 3.17Å; E299-H301 IonicContact OE2-NE2 2.83Å
302	F	94.9	Very high	87.7	Confident	5 Å²	5	60.6 Å²	60.6	2%	0.022	33%	0.328	C	S	.	.			trans	-104.8	84.9	165.2	-60.1	-100.5	0	0	0	106.9	C290 V292 F325 T326 T327 A336 V421 I423	C290-F302 HydrophobicContact CB-CB 4.44Å; C290-F302 PolarHBondContact O-N 2.86Å; V292-F302 HydrophobicContact CG2-CE2 4.04Å; F302-F325 HydrophobicContact CB-CB 3.52Å; F302-F325 WeakPolarHBondContact O-CB 3.5Å; F302-F325 VanDerWaalsContact O-CD1 3.3Å; F302-F325 WeakPolarHBondContact O-CD1 3.43Å; F302-T326 CarbonylContact C-O 3.48Å; F302-T326 WeakPolarHBondContact CA-O 3.47Å; F302-T327 HydrophobicContact CD1-CG2 3.74Å; F302-T327 HydrophobicContact CE1-CG2 3.77Å; F302-A336 HydrophobicContact CB-CB 4.18Å; F302-A336 HydrophobicContact CD1-CB 3.65Å; F302-A336 HydrophobicContact CD2-CB 3.74Å; F302-A336 HydrophobicContact CE1-CB 3.88Å; F302-A336 HydrophobicContact CE2-CB 3.99Å; F302-A336 HydrophobicContact CG-CB 3.58Å; F302-A336 HydrophobicContact CZ-CB 4.06Å; F302-V421 HydrophobicContact CZ-CG1 3.89Å; F302-I423 HydrophobicContact CZ-CG2 4.46Å
303	D	93.3	Very high	87	Confident	7 Å²	7	59.3 Å²	59.3	4%	0.037	32%	0.321	C	S	.	.			trans	-86.3	-9.6	-167.9	-84.1	-39.7	0	0	0	114	I258 H259 S260 R287 T326	I258-D303 VanDerWaalsContact O-CB 3.25Å; I258-D303 WeakPolarHBondContact O-CB 3.36Å; H259-D303 IonicContact ND1-OD1 3.13Å; S260-D303 PolarHBondContact N-O 3.23Å; S260-D303 PolarHBondContact OG-O 3.05Å; R287-D303 IonicContact NH2-OD1 3.6Å; R287-D303 PolarHBondContact NH2-OD1 2.93Å; D303-T326 PolarHBondContact N-O 3.27Å
304	E	95.5	Very high	86.6	Confident	36 Å²	36	62.2 Å²	62.2	17%	0.168	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	98.4	-178	-66.3	-155	-152	0	0	112.8	K245 I258 E306 F325 T326 S328	K245-E304 HydrophobicContact CD-CB 4.08Å; K245-E304 HydrophobicContact CD-CG 4.35Å; K245-E304 IonicContact NZ-OE2 3.52Å; K245-E304 PolarHBondContact NZ-OE2 2.85Å; I258-E304 HydrophobicContact CB-CG 4.48Å; I258-E304 HydrophobicContact CD1-CG 4.05Å; I258-E304 WeakPolarHBondContact CD1-OE1 3.41Å; I258-E304 HydrophobicContact CG2-CG 4.11Å; E304-E306 PolarHBondContact O-N 3.24Å; E304-F325 CarbonylContact O-C 3.2Å; E304-F325 VanDerWaalsContact O-CA 3.26Å; E304-F325 WeakPolarHBondContact O-CA 3.42Å; E304-T326 WeakPolarHBondContact CB-O 3.32Å; E304-T326 WeakPolarHBondContact CB-OG1 3.42Å; E304-T326 PolarHBondContact N-O 2.77Å; E304-T326 PolarHBondContact O-N 2.93Å; E304-S328 WeakPolarHBondContact OE1-CA 3.34Å
305	L	97.9	Very high	86.7	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	128	171.3	-175.8	71.2	0	0	0	111.3	V224 F243 S260 V308 F325	V224-L305 HydrophobicContact CB-CD2 4.21Å; V224-L305 HydrophobicContact CG1-CD2 4.33Å; V224-L305 HydrophobicContact CG1-CG 4.29Å; V224-L305 HydrophobicContact CG2-CB 4.46Å; V224-L305 HydrophobicContact CG2-CD2 4.12Å; V224-L305 HydrophobicContact CG2-CG 4.16Å; F243-L305 HydrophobicContact CB-CD2 3.91Å; S260-L305 VanDerWaalsContact OG-CB 3.27Å; S260-L305 WeakPolarHBondContact OG-CB 3.49Å; S260-L305 PolarHBondContact OG-N 2.94Å; L305-V308 HydrophobicContact CD1-CG2 3.86Å; L305-V308 HydrophobicContact CD2-CG2 3.81Å; L305-V308 HydrophobicContact CG-CG2 4.19Å; L305-F325 HydrophobicContact CB-CD1 4.22Å; L305-F325 HydrophobicContact CB-CE1 4.09Å; L305-F325 HydrophobicContact CD1-CD1 4.15Å; L305-F325 HydrophobicContact CD1-CD2 4.45Å; L305-F325 HydrophobicContact CD1-CE1 3.67Å; L305-F325 HydrophobicContact CD1-CE2 3.98Å; L305-F325 HydrophobicContact CD1-CZ 3.56Å; L305-F325 HydrophobicContact CG-CE1 4.46Å
306	E	97.3	Very high	86.8	Confident	56 Å²	56	55.1 Å²	55.1	26%	0.262	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-35.5	179.4	-64	-54.4	139	0	0	113.3	V224 K245 E304 I324 T326 K431	V224-E306 WeakPolarHBondContact CG1-O 3.36Å; K245-E306 IonicContact NZ-OE1 2.64Å; K245-E306 PolarHBondContact NZ-OE1 3.25Å; K245-E306 IonicContact NZ-OE2 3.58Å; E304-E306 PolarHBondContact O-N 3.24Å; E306-I324 HydrophobicContact CB-CB 4.41Å; E306-I324 HydrophobicContact CB-CG2 4.04Å; E306-I324 HydrophobicContact CG-CG2 4.45Å; E306-I324 PolarHBondContact N-O 2.65Å; E306-T326 HydrophobicContact CG-CG2 3.61Å; E306-T326 PolarHBondContact OE1-OG1 2.85Å; E306-K431 PolarHBondContact O-NZ 2.88Å
307	D	98.3	Very high	87.4	Confident	15 Å²	15	55.8 Å²	55.8	8%	0.08	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	156	-178.3	-157.1	41.3	0	0	0	112.3	G323 I324 K431 I432	D307-G323 WeakPolarHBondContact O-CA 3.27Å; D307-I324 HydrophobicContact CB-CB 4.5Å; D307-I324 HydrophobicContact CB-CD1 4.35Å; D307-I324 PolarHBondContact O-N 3.5Å; D307-K431 HydrophobicContact CB-CD 4.01Å; D307-K431 WeakPolarHBondContact OD1-CD 3.44Å; D307-K431 IonicContact OD1-NZ 3.34Å; D307-K431 PolarHBondContact OD1-NZ 2.85Å; D307-K431 VanDerWaalsContact OD2-CA 3.3Å; D307-K431 WeakPolarHBondContact OD2-CA 3.46Å; D307-K431 VanDerWaalsContact OD2-CD 3.26Å; D307-K431 WeakPolarHBondContact OD2-CD 3.49Å; D307-I432 HydrophobicContact CB-CG2 4.19Å; D307-I432 PolarHBondContact OD2-N 2.8Å
308	V	98.2	Very high	88.1	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.6	179.2	178.3	0	0	0	0	109.8	V224 D225 F243 L305 L310 V321 Y322	V224-V308 HydrophobicContact CG1-CG2 4.4Å; D225-V308 HydrophobicContact CB-CB 4.38Å; F243-V308 HydrophobicContact CB-CG2 3.94Å; F243-V308 HydrophobicContact CD1-CG1 4.22Å; F243-V308 HydrophobicContact CD1-CG2 3.83Å; F243-V308 HydrophobicContact CD2-CG1 4.29Å; F243-V308 HydrophobicContact CD2-CG2 4.5Å; F243-V308 HydrophobicContact CE1-CG1 4.08Å; F243-V308 HydrophobicContact CE1-CG2 4.44Å; F243-V308 HydrophobicContact CE2-CG1 4.19Å; F243-V308 HydrophobicContact CG-CB 4.43Å; F243-V308 HydrophobicContact CG-CG1 4.32Å; F243-V308 HydrophobicContact CG-CG2 3.85Å; F243-V308 HydrophobicContact CZ-CG1 4.07Å; L305-V308 HydrophobicContact CD1-CG2 3.86Å; L305-V308 HydrophobicContact CD2-CG2 3.81Å; L305-V308 HydrophobicContact CG-CG2 4.19Å; V308-L310 HydrophobicContact CG1-CD1 3.75Å; V308-V321 HydrophobicContact CG1-CG1 3.69Å; V308-Y322 CarbonylContact C-O 3.58Å; V308-Y322 VanDerWaalsContact CA-O 3.28Å; V308-Y322 WeakPolarHBondContact CA-O 3.48Å
309	F	97.9	Very high	88.6	Confident	44 Å²	44	53.2 Å²	53.2	19%	0.193	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.9	173.2	-174.2	-87.3	0	0	0	110.5	L311 Y322 I432 A433 V434 I491	F309-L311 HydrophobicContact CE1-CB 4.31Å; F309-L311 HydrophobicContact CE1-CD1 4.31Å; F309-Y322 PolarHBondContact N-O 2.95Å; F309-Y322 PolarHBondContact O-N 3.46Å; F309-I432 HydrophobicContact CB-CG2 3.96Å; F309-A433 HydrophobicContact CD2-CB 4.41Å; F309-A433 HydrophobicContact CE2-CB 4.21Å; F309-V434 HydrophobicContact CD1-CB 3.78Å; F309-V434 HydrophobicContact CD1-CG2 3.8Å; F309-V434 HydrophobicContact CE1-CB 3.72Å; F309-V434 HydrophobicContact CE1-CG2 4.26Å; F309-V434 VanDerWaalsContact CE1-O 3.26Å; F309-V434 WeakPolarHBondContact CE1-O 3.27Å; F309-V434 HydrophobicContact CG-CG2 4.35Å; F309-V434 VanDerWaalsContact CZ-O 3.3Å; F309-V434 WeakPolarHBondContact CZ-O 3.3Å; F309-I491 HydrophobicContact CE2-CG2 3.79Å; F309-I491 HydrophobicContact CZ-CG2 3.85Å
310	L	95.9	Very high	89.1	Confident	24 Å²	24	50.8 Å²	50.8	13%	0.126	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.6	175.1	-82.9	63.4	0	0	0	108.6	H227 I229 F243 V308 E312 V321	H227-L310 HydrophobicContact CB-CD2 3.71Å; I229-L310 HydrophobicContact CD1-CD2 3.78Å; I229-L310 HydrophobicContact CG1-CD2 4.06Å; F243-L310 HydrophobicContact CE2-CD1 4.48Å; V308-L310 HydrophobicContact CG1-CD1 3.75Å; L310-E312 PolarHBondContact O-N 2.82Å; L310-V321 HydrophobicContact CD1-CG1 4.42Å; L310-V321 HydrophobicContact CG-CG2 4.47Å
311	L	93.9	Very high	89.6	Confident	13 Å²	13	47.1 Å²	47.1	7%	0.068	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	96.1	170.1	-176.9	67.2	0	0	0	108.3	F309 L320 Y322 V434 R436	F309-L311 HydrophobicContact CE1-CB 4.31Å; F309-L311 HydrophobicContact CE1-CD1 4.31Å; L311-L320 HydrophobicContact CB-CB 4.37Å; L311-L320 HydrophobicContact CD2-CD1 4.47Å; L311-L320 PolarHBondContact N-O 2.86Å; L311-L320 PolarHBondContact O-N 2.79Å; L311-Y322 HydrophobicContact CB-CD2 4.29Å; L311-Y322 HydrophobicContact CB-CE2 3.92Å; L311-Y322 HydrophobicContact CD2-CE2 4.05Å; L311-V434 HydrophobicContact CD2-CG1 4.37Å; L311-R436 HydrophobicContact CD1-CB 4.41Å
312	E	84.6	Confident	89.9	Confident	152 Å²	152	44.6 Å²	44.6	71%	0.71	22%	0.224	S	C	*	.			trans	-63.5	142.3	174.2	-65.8	-173.8	174.5	0	0	110.8	L310	L310-E312 PolarHBondContact O-N 2.82Å
313	T	77.1	Confident	90.1	Very high	26 Å²	26	44.5 Å²	44.5	16%	0.16	22%	0.224	C	C	.	.			trans	-129.5	165.3	177.4	59.1	0	0	0	0	108.7	N315 T318 T319	T313-N315 CarbonylContact O-C 3.41Å; T313-N315 PolarHBondContact O-N 3.13Å; T313-N315 PolarHBondContact OG1-O 2.67Å; T313-T318 WeakPolarHBondContact OG1-CB 3.33Å; T313-T318 PolarHBondContact OG1-O 2.96Å; T313-T318 PolarHBondContact OG1-OG1 2.82Å; T313-T319 PolarHBondContact OG1-N 2.96Å
314	D	74.5	Confident	90.3	Very high	142 Å²	142	44.1 Å²	44.1	76%	0.759	22%	0.222	S	C	*	.	S	Bend	trans	-56.6	-21.1	-177	-42.9	-18.1	0	0	0	112.7	R436	D314-R436 IonicContact OD1-NH2 2.85Å; D314-R436 PolarHBondContact OD1-NH2 3.32Å
315	N	76.6	Confident	90.4	Very high	76 Å²	76	42.5 Å²	42.5	41%	0.406	21%	0.214	S	C	.	.	S	Bend	trans	-116	121.6	170.1	179.2	-5.8	0	0	0	110.3	T313 R317 T318	T313-N315 CarbonylContact O-C 3.41Å; T313-N315 PolarHBondContact O-N 3.13Å; T313-N315 PolarHBondContact OG1-O 2.67Å; N315-R317 PolarHBondContact O-N 2.67Å; N315-R317 WeakPolarHBondContact OD1-CB 3.26Å; N315-R317 PolarHBondContact OD1-N 2.9Å; N315-T318 HydrophobicContact CB-CG2 4.47Å; N315-T318 PolarHBondContact O-N 2.85Å; N315-T318 PolarHBondContact O-OG1 2.9Å
316	P	72.6	Confident	90.3	Very high	65 Å²	65	42.6 Å²	42.6	42%	0.422	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-53.7	-30.7	177.4	-27.8	34.8	0	0	0	114.2	T318 T319 L342	P316-T318 PolarHBondContact O-N 2.84Å; P316-T319 VanDerWaalsContact O-CB 3.27Å; P316-T319 WeakPolarHBondContact O-CB 3.26Å; P316-T319 PolarHBondContact O-N 2.79Å; P316-T319 PolarHBondContact O-OG1 2.82Å; P316-L342 WeakPolarHBondContact O-CD2 3.37Å
317	R	72.7	Confident	90	Very high	164 Å²	164	40.5 Å²	40.5	62%	0.619	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-68.1	-23	177.8	-66	-171	175.5	-176.6	-0.3	113.6	N315	N315-R317 PolarHBondContact O-N 2.67Å; N315-R317 WeakPolarHBondContact OD1-CB 3.26Å; N315-R317 PolarHBondContact OD1-N 2.9Å
318	T	83.8	Confident	89.4	Confident	70 Å²	70	42.7 Å²	42.7	43%	0.429	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-95.4	5.3	178.4	54.3	0	0	0	0	113	T313 N315 P316 L320	T313-T318 WeakPolarHBondContact OG1-CB 3.33Å; T313-T318 PolarHBondContact OG1-O 2.96Å; T313-T318 PolarHBondContact OG1-OG1 2.82Å; N315-T318 HydrophobicContact CB-CG2 4.47Å; N315-T318 PolarHBondContact O-N 2.85Å; N315-T318 PolarHBondContact O-OG1 2.9Å; P316-T318 PolarHBondContact O-N 2.84Å; T318-L320 PolarHBondContact O-N 2.83Å
319	T	92.2	Very high	88.5	Confident	10 Å²	10	44.5 Å²	44.5	6%	0.061	24%	0.235	C	C	.	.			trans	-56.2	133	173	-64.3	0	0	0	0	110.5	T313 P316 L342	T313-T319 PolarHBondContact OG1-N 2.96Å; P316-T319 VanDerWaalsContact O-CB 3.27Å; P316-T319 WeakPolarHBondContact O-CB 3.26Å; P316-T319 PolarHBondContact O-N 2.79Å; P316-T319 PolarHBondContact O-OG1 2.82Å; T319-L342 WeakPolarHBondContact O-CB 3.36Å; T319-L342 PolarHBondContact O-N 3.46Å; T319-L342 VanDerWaalsContact O-N 3.1Å
320	L	95.1	Very high	87.1	Confident	18 Å²	18	47.8 Å²	47.8	9%	0.094	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.2	178	-63.5	178	0	0	0	109.5	L311 T318 Y322 V339 Y340 H341 I414	L311-L320 HydrophobicContact CB-CB 4.37Å; L311-L320 HydrophobicContact CD2-CD1 4.47Å; L311-L320 PolarHBondContact N-O 2.86Å; L311-L320 PolarHBondContact O-N 2.79Å; T318-L320 PolarHBondContact O-N 2.83Å; L320-Y322 HydrophobicContact CB-CD2 4.33Å; L320-Y322 HydrophobicContact CB-CE2 3.78Å; L320-Y322 HydrophobicContact CD1-CE2 4.32Å; L320-V339 HydrophobicContact CB-CG1 4.1Å; L320-V339 HydrophobicContact CD1-CG1 4.39Å; L320-V339 HydrophobicContact CD2-CG1 4.23Å; L320-V339 HydrophobicContact CG-CG1 4.49Å; L320-Y340 WeakPolarHBondContact CA-O 3.26Å; L320-H341 VanDerWaalsContact CD2-ND1 3.25Å; L320-H341 WeakPolarHBondContact CD2-ND1 3.28Å; L320-I414 HydrophobicContact CD2-CD1 3.87Å
321	V	97.4	Very high	86	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.5	174	-175.8	0	0	0	0	107.8	F243 V308 L310 V339 Y340 I345	F243-V321 HydrophobicContact CE1-CG1 3.99Å; F243-V321 HydrophobicContact CZ-CG1 4.12Å; V308-V321 HydrophobicContact CG1-CG1 3.69Å; L310-V321 HydrophobicContact CD1-CG1 4.42Å; L310-V321 HydrophobicContact CG-CG2 4.47Å; V321-V339 CarbonylContact O-C 3.59Å; V321-V339 WeakPolarHBondContact O-CA 3.3Å; V321-Y340 PolarHBondContact N-O 2.95Å; V321-Y340 WeakPolarHBondContact O-CD2 3.15Å; V321-Y340 PolarHBondContact O-N 3.1Å; V321-I345 HydrophobicContact CB-CD1 4.32Å; V321-I345 HydrophobicContact CG2-CD1 3.82Å
322	Y	98.3	Very high	85.2	Confident	3 Å²	3	58.7 Å²	58.7	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	136.3	171.9	-70	-103.7	0	0	0	108.9	V308 F309 L311 L320 V337 C338 V339 L419 I432 V434 H445 L447	V308-Y322 CarbonylContact C-O 3.58Å; V308-Y322 VanDerWaalsContact CA-O 3.28Å; V308-Y322 WeakPolarHBondContact CA-O 3.48Å; F309-Y322 PolarHBondContact N-O 2.95Å; F309-Y322 PolarHBondContact O-N 3.46Å; L311-Y322 HydrophobicContact CB-CD2 4.29Å; L311-Y322 HydrophobicContact CB-CE2 3.92Å; L311-Y322 HydrophobicContact CD2-CE2 4.05Å; L320-Y322 HydrophobicContact CB-CD2 4.33Å; L320-Y322 HydrophobicContact CB-CE2 3.78Å; L320-Y322 HydrophobicContact CD1-CE2 4.32Å; Y322-V337 HydrophobicContact CD1-CG1 4.34Å; Y322-C338 WeakPolarHBondContact CA-O 3.36Å; Y322-V339 HydrophobicContact CD1-CG1 4.39Å; Y322-V339 HydrophobicContact CD1-CG2 3.54Å; Y322-V339 HydrophobicContact CD2-CG1 4.41Å; Y322-V339 HydrophobicContact CE1-CB 4.4Å; Y322-V339 HydrophobicContact CE1-CG1 4.1Å; Y322-V339 HydrophobicContact CE1-CG2 3.39Å; Y322-V339 HydrophobicContact CE2-CG1 4.13Å; Y322-V339 HydrophobicContact CG-CG2 4.31Å; Y322-L419 HydrophobicContact CE1-CD2 4.16Å; Y322-I432 HydrophobicContact CD1-CD1 4.19Å; Y322-I432 HydrophobicContact CG-CD1 4.41Å; Y322-V434 HydrophobicContact CD1-CG2 3.97Å; Y322-V434 HydrophobicContact CD2-CG2 4.03Å; Y322-V434 HydrophobicContact CE1-CG1 4.45Å; Y322-V434 HydrophobicContact CE1-CG2 4.25Å; Y322-V434 HydrophobicContact CE2-CG1 4.27Å; Y322-V434 HydrophobicContact CE2-CG2 4.31Å; Y322-V434 HydrophobicContact CG-CG2 3.87Å; Y322-H445 PolarHBondContact OH-ND1 2.83Å; Y322-L447 HydrophobicContact CD1-CD2 4.4Å; Y322-L447 HydrophobicContact CE1-CD1 4.47Å; Y322-L447 HydrophobicContact CE1-CD2 4.4Å
323	G	98.4	Very high	85.1	Confident	2 Å²	2	56.7 Å²	56.7	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.6	173.5	0	0	0	0	0	111.6	D307 F325 V337 C338	D307-G323 WeakPolarHBondContact O-CA 3.27Å; G323-F325 WeakPolarHBondContact O-CD2 3.25Å; G323-F325 WeakPolarHBondContact O-CE2 3.46Å; G323-V337 WeakPolarHBondContact O-CA 3.44Å; G323-C338 PolarHBondContact N-O 2.83Å; G323-C338 PolarHBondContact O-N 3.3Å
324	I	98.4	Very high	85.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.9	165.6	-68.3	169.4	0	0	0	108.2	E306 D307 A336 V337 K431 I432 L449	E306-I324 HydrophobicContact CB-CB 4.41Å; E306-I324 HydrophobicContact CB-CG2 4.04Å; E306-I324 HydrophobicContact CG-CG2 4.45Å; E306-I324 PolarHBondContact N-O 2.65Å; D307-I324 HydrophobicContact CB-CB 4.5Å; D307-I324 HydrophobicContact CB-CD1 4.35Å; D307-I324 PolarHBondContact O-N 3.5Å; I324-A336 WeakPolarHBondContact CA-O 3Å; I324-V337 HydrophobicContact CG1-CG2 4.33Å; I324-K431 WeakPolarHBondContact CD1-O 3.25Å; I324-I432 HydrophobicContact CD1-CB 3.56Å; I324-I432 HydrophobicContact CD1-CG2 3.86Å; I324-I432 HydrophobicContact CG1-CB 3.94Å; I324-I432 HydrophobicContact CG1-CG2 3.95Å; I324-L449 HydrophobicContact CD1-CD2 4.41Å
325	F	97.9	Very high	86.8	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146	176.4	-61.2	-99.6	0	0	0	110.2	L288 C290 F302 E304 L305 G323 S335 A336 C338 Y340	L288-F325 HydrophobicContact CB-CE1 4.4Å; L288-F325 HydrophobicContact CB-CZ 4.4Å; C290-F325 HydrophobicContact CB-CB 4.1Å; C290-F325 HydrophobicContact CB-CD1 3.9Å; C290-F325 HydrophobicContact CB-CD2 3.57Å; C290-F325 HydrophobicContact CB-CE1 4.2Å; C290-F325 HydrophobicContact CB-CE2 3.93Å; C290-F325 HydrophobicContact CB-CG 3.57Å; C290-F325 HydrophobicContact CB-CZ 4.22Å; F302-F325 HydrophobicContact CB-CB 3.52Å; F302-F325 WeakPolarHBondContact O-CB 3.5Å; F302-F325 VanDerWaalsContact O-CD1 3.3Å; F302-F325 WeakPolarHBondContact O-CD1 3.43Å; E304-F325 CarbonylContact O-C 3.2Å; E304-F325 VanDerWaalsContact O-CA 3.26Å; E304-F325 WeakPolarHBondContact O-CA 3.42Å; L305-F325 HydrophobicContact CB-CD1 4.22Å; L305-F325 HydrophobicContact CB-CE1 4.09Å; L305-F325 HydrophobicContact CD1-CD1 4.15Å; L305-F325 HydrophobicContact CD1-CD2 4.45Å; L305-F325 HydrophobicContact CD1-CE1 3.67Å; L305-F325 HydrophobicContact CD1-CE2 3.98Å; L305-F325 HydrophobicContact CD1-CZ 3.56Å; L305-F325 HydrophobicContact CG-CE1 4.46Å; G323-F325 WeakPolarHBondContact O-CD2 3.25Å; G323-F325 WeakPolarHBondContact O-CE2 3.46Å; F325-S335 CarbonylContact O-C 3.53Å; F325-S335 VanDerWaalsContact O-CA 3.31Å; F325-S335 WeakPolarHBondContact O-CA 3.41Å; F325-A336 PolarHBondContact N-O 3.29Å; F325-A336 PolarHBondContact O-N 3.06Å; F325-C338 HydrophobicContact CD2-CB 4.08Å; F325-C338 HydrophobicContact CE2-CB 3.81Å; F325-Y340 AromaticContact CE2-CE2 3.95Å; F325-Y340 HydrophobicContact CE2-CE2 3.95Å; F325-Y340 WeakPolarHBondContact CE2-OH 3.02Å; F325-Y340 AromaticContact CZ-CE2 3.98Å; F325-Y340 HydrophobicContact CZ-CE2 3.98Å; F325-Y340 WeakPolarHBondContact CZ-OH 3.45Å
326	T	95.4	Very high	87.7	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	161.3	171.6	67.7	0	0	0	0	111.4	F302 D303 E304 E306 G334 K428	F302-T326 CarbonylContact C-O 3.48Å; F302-T326 WeakPolarHBondContact CA-O 3.47Å; D303-T326 PolarHBondContact N-O 3.27Å; E304-T326 WeakPolarHBondContact CB-O 3.32Å; E304-T326 WeakPolarHBondContact CB-OG1 3.42Å; E304-T326 PolarHBondContact N-O 2.77Å; E304-T326 PolarHBondContact O-N 2.93Å; E306-T326 HydrophobicContact CG-CG2 3.61Å; E306-T326 PolarHBondContact OE1-OG1 2.85Å; T326-G334 VanDerWaalsContact CA-O 3.26Å; T326-G334 WeakPolarHBondContact CA-O 3.44Å; T326-G334 WeakPolarHBondContact CB-O 3.49Å; T326-K428 HydrophobicContact CG2-CD 4.46Å
327	T	91.6	Very high	88.9	Confident	13 Å²	13	42.1 Å²	42.1	8%	0.08	23%	0.226	C	C	.	.			trans	-71.8	140	173.2	48.4	0	0	0	0	110.6	F302 S329 F332 G334	F302-T327 HydrophobicContact CD1-CG2 3.74Å; F302-T327 HydrophobicContact CE1-CG2 3.77Å; T327-S329 VanDerWaalsContact C-N 3.27Å; T327-S329 PolarHBondContact O-N 2.83Å; T327-F332 WeakPolarHBondContact CB-O 3.41Å; T327-F332 PolarHBondContact OG1-O 3.47Å; T327-G334 PolarHBondContact N-O 2.78Å; T327-G334 VanDerWaalsContact N-O 3.1Å; T327-G334 PolarHBondContact OG1-N 2.95Å
328	S	84.8	Confident	90.1	Very high	61 Å²	61	34.3 Å²	34.3	43%	0.427	20%	0.196	S	C	.	.	S	Bend	trans	-77.6	-12.9	175.1	53.8	0	0	0	0	113.6	E304	E304-S328 WeakPolarHBondContact OE1-CA 3.34Å
329	S	78.7	Confident	90.7	Very high	44 Å²	44	31.5 Å²	31.5	31%	0.308	18%	0.179	S	C	.	.			trans	-71.6	135.1	177.6	-176.9	0	0	0	0	111.3	T327 V331 F332	T327-S329 VanDerWaalsContact C-N 3.27Å; T327-S329 PolarHBondContact O-N 2.83Å; S329-V331 VanDerWaalsContact C-N 3.29Å; S329-V331 PolarHBondContact OG-N 3.01Å; S329-F332 VanDerWaalsContact O-O 3.11Å; S329-F332 PolarHBondContact OG-N 2.97Å
330	S	70.2	Confident	90.9	Very high	113 Å²	113	31.1 Å²	31.1	79%	0.79	18%	0.176	S	C	*	.	S	Bend	trans	-73.1	-23.4	170.6	55.1	0	0	0	0	112.9
331	V	73	Confident	90.9	Very high	115 Å²	115	33.3 Å²	33.3	70%	0.697	19%	0.186	S	C	*	.	S	Bend	trans	-88.9	-44	-176.7	-177.6	0	0	0	0	110.8	S329	S329-V331 VanDerWaalsContact C-N 3.29Å; S329-V331 PolarHBondContact OG-N 3.01Å
332	F	76.8	Confident	90.7	Very high	152 Å²	152	33.2 Å²	33.2	67%	0.667	19%	0.186	S	C	*	.			trans	-96	109.6	178.2	-62.9	-74.2	0	0	0	109.8	T327 S329	T327-F332 WeakPolarHBondContact CB-O 3.41Å; T327-F332 PolarHBondContact OG1-O 3.47Å; S329-F332 VanDerWaalsContact O-O 3.11Å; S329-F332 PolarHBondContact OG-N 2.97Å
333	K	82.5	Confident	90.5	Very high	110 Å²	110	35.1 Å²	35.1	48%	0.478	20%	0.199	S	C	.	.			trans	-90.3	115.2	169.4	-62.8	-178.2	-176.6	179.7	0	109
334	G	91.1	Very high	90.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	148.5	172	0	0	0	0	0	111.4	T326 T327 R422	T326-G334 VanDerWaalsContact CA-O 3.26Å; T326-G334 WeakPolarHBondContact CA-O 3.44Å; T326-G334 WeakPolarHBondContact CB-O 3.49Å; T327-G334 PolarHBondContact N-O 2.78Å; T327-G334 VanDerWaalsContact N-O 3.1Å; T327-G334 PolarHBondContact OG1-N 2.95Å; G334-R422 CarbonylContact C-O 3.55Å; G334-R422 WeakPolarHBondContact CA-O 3.4Å
335	S	95.7	Very high	90.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.8	170.3	-63.6	0	0	0	0	109.4	F325 R422 Y429	F325-S335 CarbonylContact O-C 3.53Å; F325-S335 VanDerWaalsContact O-CA 3.31Å; F325-S335 WeakPolarHBondContact O-CA 3.41Å; S335-R422 PolarHBondContact N-O 2.64Å; S335-R422 PolarHBondContact O-N 2.95Å; S335-Y429 PolarHBondContact OG-N 2.97Å
336	A	96.1	Very high	90	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.1	175.7	0	0	0	0	0	110.4	F302 I324 F325 P418 I420 V421	F302-A336 HydrophobicContact CB-CB 4.18Å; F302-A336 HydrophobicContact CD1-CB 3.65Å; F302-A336 HydrophobicContact CD2-CB 3.74Å; F302-A336 HydrophobicContact CE1-CB 3.88Å; F302-A336 HydrophobicContact CE2-CB 3.99Å; F302-A336 HydrophobicContact CG-CB 3.58Å; F302-A336 HydrophobicContact CZ-CB 4.06Å; I324-A336 WeakPolarHBondContact CA-O 3Å; F325-A336 PolarHBondContact N-O 3.29Å; F325-A336 PolarHBondContact O-N 3.06Å; A336-P418 HydrophobicContact CB-CB 4.06Å; A336-P418 HydrophobicContact CB-CG 4.27Å; A336-I420 CarbonylContact C-O 3.28Å; A336-I420 WeakPolarHBondContact CA-O 3.02Å; A336-V421 HydrophobicContact CB-CG2 4.5Å
337	V	97.6	Very high	90	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.7	170.7	-176.9	0	0	0	0	107.8	Y322 G323 I324 P418 L419 I420 I432 L447 L449	Y322-V337 HydrophobicContact CD1-CG1 4.34Å; G323-V337 WeakPolarHBondContact O-CA 3.44Å; I324-V337 HydrophobicContact CG1-CG2 4.33Å; V337-P418 CarbonylContact O-C 3.36Å; V337-L419 WeakPolarHBondContact O-CB 3.36Å; V337-L419 PolarHBondContact O-N 3.3Å; V337-I420 HydrophobicContact CB-CB 3.96Å; V337-I420 HydrophobicContact CB-CG1 4.25Å; V337-I420 HydrophobicContact CG2-CB 3.99Å; V337-I420 HydrophobicContact CG2-CD1 4.35Å; V337-I420 HydrophobicContact CG2-CG1 4.41Å; V337-I420 PolarHBondContact N-O 3.02Å; V337-I420 PolarHBondContact O-N 3.24Å; V337-I432 HydrophobicContact CG1-CD1 3.79Å; V337-L447 HydrophobicContact CG1-CD2 4.05Å; V337-L449 HydrophobicContact CG2-CD1 4.42Å; V337-L449 HydrophobicContact CG2-CD2 4Å
338	C	97.4	Very high	90.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	146.8	176	-85.7	0	0	0	0	110.2	C290 Y322 G323 F325 Y340 P413	C290-C338 VanDerWaalsContact CA-SG 3.51Å; C290-C338 HydrophobicContact CB-CB 3.87Å; C290-C338 WeakPolarHBondContact CB-SG 3.5Å; C290-C338 WeakPolarHBondContact SG-CB 3.27Å; C290-C338 CovalentContact SG-SG 2.04Å; C290-C338 PolarHBondContact SG-SG 2.85Å; Y322-C338 WeakPolarHBondContact CA-O 3.36Å; G323-C338 PolarHBondContact N-O 2.83Å; G323-C338 PolarHBondContact O-N 3.3Å; F325-C338 HydrophobicContact CD2-CB 4.08Å; F325-C338 HydrophobicContact CE2-CB 3.81Å; C338-Y340 HydrophobicContact CB-CE2 3.78Å; C338-Y340 WeakPolarHBondContact CB-OH 3.42Å; C338-P413 HydrophobicContact CB-CB 3.94Å; C338-P413 HydrophobicContact CB-CG 4.46Å
339	V	96.6	Very high	90.9	Very high	11 Å²	11	40.8 Å²	40.8	7%	0.067	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.3	179	-168.7	0	0	0	0	108.9	L320 V321 Y322 P413 I414 L419	L320-V339 HydrophobicContact CB-CG1 4.1Å; L320-V339 HydrophobicContact CD1-CG1 4.39Å; L320-V339 HydrophobicContact CD2-CG1 4.23Å; L320-V339 HydrophobicContact CG-CG1 4.49Å; V321-V339 CarbonylContact O-C 3.59Å; V321-V339 WeakPolarHBondContact O-CA 3.3Å; Y322-V339 HydrophobicContact CD1-CG1 4.39Å; Y322-V339 HydrophobicContact CD1-CG2 3.54Å; Y322-V339 HydrophobicContact CD2-CG1 4.41Å; Y322-V339 HydrophobicContact CE1-CB 4.4Å; Y322-V339 HydrophobicContact CE1-CG1 4.1Å; Y322-V339 HydrophobicContact CE1-CG2 3.39Å; Y322-V339 HydrophobicContact CE2-CG1 4.13Å; Y322-V339 HydrophobicContact CG-CG2 4.31Å; V339-P413 CarbonylContact O-C 3.6Å; V339-P413 WeakPolarHBondContact O-CA 3.47Å; V339-P413 VanDerWaalsContact O-CB 3.28Å; V339-P413 WeakPolarHBondContact O-CB 3.34Å; V339-I414 HydrophobicContact CB-CD1 4.14Å; V339-I414 HydrophobicContact CG1-CD1 3.77Å; V339-I414 WeakPolarHBondContact O-CG1 3.41Å; V339-I414 PolarHBondContact O-N 3.13Å; V339-L419 HydrophobicContact CG2-CB 4.14Å; V339-L419 HydrophobicContact CG2-CD2 3.76Å
340	Y	96.6	Very high	91.7	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.5	-178.9	-51	-92	0	0	0	110	L288 V289 L320 V321 F325 C338 I411 Y412 P413	L288-Y340 HydrophobicContact CD2-CD1 4.14Å; L288-Y340 HydrophobicContact CD2-CD2 4.35Å; L288-Y340 HydrophobicContact CD2-CE1 3.95Å; L288-Y340 HydrophobicContact CD2-CE2 4.2Å; L288-Y340 HydrophobicContact CD2-CG 4.33Å; V289-Y340 PolarHBondContact O-OH 3.34Å; V289-Y340 VanDerWaalsContact O-OH 3.07Å; L320-Y340 WeakPolarHBondContact CA-O 3.26Å; V321-Y340 PolarHBondContact N-O 2.95Å; V321-Y340 WeakPolarHBondContact O-CD2 3.15Å; V321-Y340 PolarHBondContact O-N 3.1Å; F325-Y340 AromaticContact CE2-CE2 3.95Å; F325-Y340 HydrophobicContact CE2-CE2 3.95Å; F325-Y340 WeakPolarHBondContact CE2-OH 3.02Å; F325-Y340 AromaticContact CZ-CE2 3.98Å; F325-Y340 HydrophobicContact CZ-CE2 3.98Å; F325-Y340 WeakPolarHBondContact CZ-OH 3.45Å; C338-Y340 HydrophobicContact CB-CE2 3.78Å; C338-Y340 WeakPolarHBondContact CB-OH 3.42Å; Y340-I411 HydrophobicContact CD1-CG2 3.7Å; Y340-I411 HydrophobicContact CE1-CG2 4.21Å; Y340-I411 HydrophobicContact CG-CG2 4.46Å; Y340-Y412 WeakPolarHBondContact CD1-O 3.36Å; Y340-P413 HydrophobicContact CD1-CB 4.22Å; Y340-P413 HydrophobicContact CE1-CB 3.93Å; Y340-P413 VanDerWaalsContact CE1-N 3.34Å
341	H	94.3	Very high	93	Very high	65 Å²	65	38.1 Å²	38.1	30%	0.301	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.8	165.7	-71.3	-67.8	0	0	0	110	L320 S343 D344 I345 I414	L320-H341 VanDerWaalsContact CD2-ND1 3.25Å; L320-H341 WeakPolarHBondContact CD2-ND1 3.28Å; H341-S343 WeakPolarHBondContact CB-OG 3.39Å; H341-S343 PolarHBondContact O-N 2.82Å; H341-D344 HydrophobicContact CB-CB 4.42Å; H341-D344 IonicContact CD2-OD2 3.46Å; H341-D344 PolarHBondContact O-N 3.13Å; H341-D344 VanDerWaalsContact O-N 3.1Å; H341-I345 PolarHBondContact O-N 2.99Å; H341-I414 VanDerWaalsContact NE2-CD1 3.34Å; H341-I414 WeakPolarHBondContact NE2-CD1 3.07Å
342	L	93.4	Very high	94.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-33.1	173.8	-177.3	66.1	0	0	0	112.1	I229 P316 T319 D344 I345 Q346	I229-L342 HydrophobicContact CD1-CD1 3.97Å; I229-L342 HydrophobicContact CG2-CD1 4.08Å; I229-L342 HydrophobicContact CG2-CD2 3.39Å; I229-L342 HydrophobicContact CG2-CG 4.35Å; P316-L342 WeakPolarHBondContact O-CD2 3.37Å; T319-L342 WeakPolarHBondContact O-CB 3.36Å; T319-L342 PolarHBondContact O-N 3.46Å; T319-L342 VanDerWaalsContact O-N 3.1Å; L342-D344 VanDerWaalsContact C-N 3.28Å; L342-D344 PolarHBondContact O-N 3.49Å; L342-I345 HydrophobicContact CD1-CD1 4.45Å; L342-I345 WeakPolarHBondContact O-CB 3.4Å; L342-I345 PolarHBondContact O-N 3.45Å; L342-Q346 WeakPolarHBondContact O-CG 3.11Å; L342-Q346 PolarHBondContact O-N 3.02Å
343	S	93.1	Very high	95.1	Very high	42 Å²	42	27.3 Å²	27.3	29%	0.294	15%	0.151	S	C	.	.	H	α-helix	trans	-58.8	-37.5	174.5	56.4	0	0	0	0	113.3	H341 Q346 T347	H341-S343 WeakPolarHBondContact CB-OG 3.39Å; H341-S343 PolarHBondContact O-N 2.82Å; S343-Q346 PolarHBondContact O-N 2.92Å; S343-T347 WeakPolarHBondContact O-CB 3.32Å; S343-T347 PolarHBondContact O-N 3.46Å; S343-T347 PolarHBondContact O-OG1 3.41Å
344	D	95	Very high	95.7	Very high	66 Å²	66	22.3 Å²	22.3	35%	0.353	13%	0.131	S	C	.	.	H	α-helix	trans	-73.7	-39.5	-178.7	-60.8	-12.9	0	0	0	110.1	H341 L342 T347 V348	H341-D344 HydrophobicContact CB-CB 4.42Å; H341-D344 IonicContact CD2-OD2 3.46Å; H341-D344 PolarHBondContact O-N 3.13Å; H341-D344 VanDerWaalsContact O-N 3.1Å; L342-D344 VanDerWaalsContact C-N 3.28Å; L342-D344 PolarHBondContact O-N 3.49Å; D344-T347 WeakPolarHBondContact O-CB 3.42Å; D344-T347 PolarHBondContact O-N 3.12Å; D344-V348 PolarHBondContact O-N 3.32Å
345	I	96.1	Very high	95.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-57	-50.6	171.4	-64.6	172.9	0	0	0	110.1	Y241 I262 V321 H341 L342 T347 V348 F349 I411	Y241-I345 HydrophobicContact CE1-CG2 4.06Å; I262-I345 HydrophobicContact CD1-CD1 4.15Å; I262-I345 HydrophobicContact CD1-CG2 3.82Å; V321-I345 HydrophobicContact CB-CD1 4.32Å; V321-I345 HydrophobicContact CG2-CD1 3.82Å; H341-I345 PolarHBondContact O-N 2.99Å; L342-I345 HydrophobicContact CD1-CD1 4.45Å; L342-I345 WeakPolarHBondContact O-CB 3.4Å; L342-I345 PolarHBondContact O-N 3.45Å; I345-T347 VanDerWaalsContact C-N 3.32Å; I345-T347 PolarHBondContact O-N 3.08Å; I345-V348 PolarHBondContact O-N 2.84Å; I345-F349 HydrophobicContact CG2-CD2 3.89Å; I345-F349 HydrophobicContact CG2-CE2 3.64Å; I345-F349 VanDerWaalsContact O-CD2 3.24Å; I345-F349 WeakPolarHBondContact O-CD2 3.37Å; I345-F349 PolarHBondContact O-N 3.37Å; I345-I411 HydrophobicContact CB-CD1 4.48Å; I345-I411 HydrophobicContact CG1-CD1 4.29Å; I345-I411 HydrophobicContact CG1-CG2 3.86Å; I345-I411 HydrophobicContact CG2-CD1 4.21Å
346	Q	94.5	Very high	95	Very high	22 Å²	22	30.9 Å²	30.9	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-40.5	178.6	-73	170.8	-21.3	0	0	111.9	D231 L342 S343 V348 F349 N350	D231-Q346 PolarHBondContact OD1-NE2 2.84Å; L342-Q346 WeakPolarHBondContact O-CG 3.11Å; L342-Q346 PolarHBondContact O-N 3.02Å; S343-Q346 PolarHBondContact O-N 2.92Å; Q346-V348 VanDerWaalsContact C-N 3.32Å; Q346-V348 PolarHBondContact O-N 2.7Å; Q346-F349 PolarHBondContact O-N 3.44Å; Q346-N350 VanDerWaalsContact O-CG 3.31Å; Q346-N350 PolarHBondContact O-N 3Å; Q346-N350 PolarHBondContact O-ND2 3.05Å
347	T	95.6	Very high	93.9	Very high	94 Å²	94	36.7 Å²	36.7	58%	0.577	20%	0.196	S	C	*	.	H	α-helix	trans	-59.7	-42.4	176.6	-60.1	0	0	0	0	111.5	S343 D344 I345 N350 G351	S343-T347 WeakPolarHBondContact O-CB 3.32Å; S343-T347 PolarHBondContact O-N 3.46Å; S343-T347 PolarHBondContact O-OG1 3.41Å; D344-T347 WeakPolarHBondContact O-CB 3.42Å; D344-T347 PolarHBondContact O-N 3.12Å; I345-T347 VanDerWaalsContact C-N 3.32Å; I345-T347 PolarHBondContact O-N 3.08Å; T347-N350 CarbonylContact O-C 3.54Å; T347-N350 PolarHBondContact O-N 3.25Å; T347-G351 PolarHBondContact O-N 3.21Å
348	V	97.7	Very high	92.4	Very high	16 Å²	16	38.9 Å²	38.9	10%	0.097	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-44.6	176.6	168.1	0	0	0	0	111.9	A286 D344 I345 Q346 N350 G351 M407 N409 I411	A286-V348 HydrophobicContact CB-CG1 3.86Å; D344-V348 PolarHBondContact O-N 3.32Å; I345-V348 PolarHBondContact O-N 2.84Å; Q346-V348 VanDerWaalsContact C-N 3.32Å; Q346-V348 PolarHBondContact O-N 2.7Å; V348-N350 PolarHBondContact O-N 3.37Å; V348-G351 WeakPolarHBondContact O-CA 3.39Å; V348-G351 PolarHBondContact O-N 3.09Å; V348-M407 HydrophobicContact CG1-CB 4.08Å; V348-M407 HydrophobicContact CG1-CG 4.49Å; V348-M407 WeakPolarHBondContact O-CE 3.43Å; V348-N409 HydrophobicContact CG1-CB 4.3Å; V348-N409 WeakPolarHBondContact CG1-O 3.45Å; V348-N409 HydrophobicContact CG2-CB 4.33Å; V348-I411 HydrophobicContact CB-CD1 4.5Å; V348-I411 HydrophobicContact CB-CG1 3.8Å; V348-I411 HydrophobicContact CG1-CD1 4.4Å; V348-I411 HydrophobicContact CG1-CG1 3.85Å; V348-I411 HydrophobicContact CG2-CG1 3.71Å
349	F	97.3	Very high	90.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.2	-21.5	177	-74.2	-71.7	0	0	0	113.9	Y241 I262 R264 L284 A286 I345 Q346 G351 R374 M407	Y241-F349 HydrophobicContact CD1-CE2 4.44Å; Y241-F349 HydrophobicContact CE1-CD2 4.33Å; Y241-F349 AromaticContact CE1-CE2 3.79Å; Y241-F349 HydrophobicContact CE1-CE2 3.79Å; I262-F349 HydrophobicContact CG2-CE2 4.2Å; I262-F349 HydrophobicContact CG2-CZ 4.06Å; R264-F349 HydrophobicContact CB-CZ 4.41Å; R264-F349 HydrophobicContact CG-CD1 4.14Å; R264-F349 HydrophobicContact CG-CE1 3.94Å; R264-F349 HydrophobicContact CG-CE2 4.42Å; R264-F349 HydrophobicContact CG-CG 4.46Å; R264-F349 HydrophobicContact CG-CZ 4.09Å; R264-F349 VanDerWaalsContact NH2-CB 3.28Å; L284-F349 HydrophobicContact CB-CD1 3.92Å; L284-F349 HydrophobicContact CB-CE1 3.97Å; A286-F349 HydrophobicContact CB-CE1 4.2Å; A286-F349 HydrophobicContact CB-CZ 4.24Å; I345-F349 HydrophobicContact CG2-CD2 3.89Å; I345-F349 HydrophobicContact CG2-CE2 3.64Å; I345-F349 VanDerWaalsContact O-CD2 3.24Å; I345-F349 WeakPolarHBondContact O-CD2 3.37Å; I345-F349 PolarHBondContact O-N 3.37Å; Q346-F349 PolarHBondContact O-N 3.44Å; F349-G351 VanDerWaalsContact C-N 3.34Å; F349-R374 PolarHBondContact O-NH2 2.89Å; F349-M407 HydrophobicContact CD1-CG 3.78Å; F349-M407 HydrophobicContact CD1-SD 4.29Å; F349-M407 HydrophobicContact CE1-CG 4.29Å; F349-M407 WeakPolarHBondContact O-CE 3.22Å
350	N	95.5	Very high	89.5	Confident	86 Å²	86	49.8 Å²	49.8	46%	0.46	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.4	171.3	-63.9	-23	0	0	0	112.7	Q346 T347 V348 R374	Q346-N350 VanDerWaalsContact O-CG 3.31Å; Q346-N350 PolarHBondContact O-N 3Å; Q346-N350 PolarHBondContact O-ND2 3.05Å; T347-N350 CarbonylContact O-C 3.54Å; T347-N350 PolarHBondContact O-N 3.25Å; V348-N350 PolarHBondContact O-N 3.37Å; N350-R374 PolarHBondContact O-NH1 3.48Å; N350-R374 VanDerWaalsContact O-NH1 3.08Å; N350-R374 PolarHBondContact O-NH2 3.44Å
351	G	96.4	Very high	88.3	Confident	16 Å²	16	54.7 Å²	54.7	17%	0.165	31%	0.306	C	S	.	.	S	Bend	trans	-86.3	-166.5	178.6	0	0	0	0	0	114.6	T347 V348 F349 R374 M407	T347-G351 PolarHBondContact O-N 3.21Å; V348-G351 WeakPolarHBondContact O-CA 3.39Å; V348-G351 PolarHBondContact O-N 3.09Å; F349-G351 VanDerWaalsContact C-N 3.34Å; G351-R374 PolarHBondContact O-NH2 3.44Å; G351-M407 VanDerWaalsContact O-CE 3.28Å; G351-M407 WeakPolarHBondContact O-CE 3.42Å
352	P	96.9	Very high	87.6	Confident	38 Å²	38	57.6 Å²	57.6	25%	0.247	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-69	146.2	-177.4	25.4	-32	0	0	0	113.3	S365 Y408	P352-S365 VanDerWaalsContact CB-OG 3.23Å; P352-S365 WeakPolarHBondContact CB-OG 3.21Å; P352-Y408 HydrophobicContact CG-CD1 4.21Å; P352-Y408 WeakPolarHBondContact O-CB 3.06Å; P352-Y408 PolarHBondContact O-N 3.47Å
353	F	97.7	Very high	87.2	Confident	1 Å²	1	61.7 Å²	61.7	0%	0.004	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-78.9	148.3	171.6	-63.6	-85	0	0	0	110.9	L284 Y366 I370 P375 F400 H404 M407	L284-F353 HydrophobicContact CD1-CE1 4.06Å; L284-F353 HydrophobicContact CD2-CD1 4.3Å; L284-F353 HydrophobicContact CD2-CE1 3.64Å; F353-Y366 VanDerWaalsContact O-CB 3.31Å; F353-Y366 WeakPolarHBondContact O-CB 3.48Å; F353-Y366 PolarHBondContact O-N 3.26Å; F353-I370 HydrophobicContact CD2-CD1 4.04Å; F353-I370 HydrophobicContact CD2-CG1 4.34Å; F353-I370 HydrophobicContact CE2-CD1 4.06Å; F353-I370 HydrophobicContact CE2-CG1 4.41Å; F353-I370 HydrophobicContact CE2-CG2 3.97Å; F353-P375 HydrophobicContact CE1-CB 4.43Å; F353-P375 HydrophobicContact CZ-CB 3.97Å; F353-P375 HydrophobicContact CZ-CG 4.4Å; F353-F400 HydrophobicContact CB-CE1 4.29Å; F353-F400 HydrophobicContact CB-CZ 4.23Å; F353-F400 AromaticContact CD1-CE1 3.98Å; F353-F400 HydrophobicContact CD1-CE1 3.98Å; F353-F400 AromaticContact CD2-CE1 3.57Å; F353-F400 HydrophobicContact CD2-CE1 3.57Å; F353-F400 AromaticContact CD2-CZ 3.69Å; F353-F400 HydrophobicContact CD2-CZ 3.69Å; F353-F400 HydrophobicContact CE1-CE1 4.18Å; F353-F400 AromaticContact CE2-CE1 3.79Å; F353-F400 HydrophobicContact CE2-CE1 3.79Å; F353-F400 HydrophobicContact CE2-CZ 4.22Å; F353-F400 AromaticContact CG-CE1 3.67Å; F353-F400 HydrophobicContact CG-CE1 3.67Å; F353-F400 AromaticContact CG-CZ 3.96Å; F353-F400 HydrophobicContact CG-CZ 3.96Å; F353-F400 HydrophobicContact CZ-CE1 4.1Å; F353-H404 HydrophobicContact CB-CB 4.26Å; F353-H404 HydrophobicContact CD1-CB 4.49Å; F353-H404 WeakPolarHBondContact CD1-O 3.5Å; F353-M407 HydrophobicContact CD1-CE 4.03Å; F353-M407 HydrophobicContact CD1-SD 3.83Å; F353-M407 HydrophobicContact CE1-CE 4.08Å; F353-M407 HydrophobicContact CE1-SD 3.85Å; F353-M407 HydrophobicContact CG-CE 4.42Å
354	A	94.4	Very high	87	Confident	6 Å²	6	61.8 Å²	61.8	5%	0.05	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	138.9	173.5	0	0	0	0	0	110.7	L363 I364 H404 L406	A354-L363 HydrophobicContact CB-CD1 3.82Å; A354-L363 HydrophobicContact CB-CD2 4.24Å; A354-L363 HydrophobicContact CB-CG 4.05Å; A354-I364 WeakPolarHBondContact CA-O 3.26Å; A354-H404 PolarHBondContact O-CD2 3.29Å; A354-L406 HydrophobicContact CB-CB 4.17Å; A354-L406 HydrophobicContact CB-CD2 4.05Å; A354-L406 HydrophobicContact CB-CG 3.9Å; A354-L406 WeakPolarHBondContact CB-O 3.48Å; A354-L406 PolarHBondContact N-O 3.31Å
355	H	89.4	Confident	87	Confident	59 Å²	59	59.7 Å²	59.7	27%	0.273	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.5	179.4	-176	73.8	0	0	0	109.8	L363 I364 Y366 H404	H355-L363 WeakPolarHBondContact O-CA 3.43Å; H355-I364 HydrophobicContact CB-CG1 4.48Å; H355-I364 PolarHBondContact N-O 3.21Å; H355-I364 WeakPolarHBondContact O-CG1 3.36Å; H355-I364 PolarHBondContact O-N 2.93Å; H355-Y366 HydrophobicContact CB-CD2 3.97Å; H355-Y366 AromaticContact CG-CD2 3.93Å; H355-Y366 AromaticContact ND1-CD2 3.91Å; H355-H404 AromaticContact CE1-NE2 3.76Å; H355-H404 AromaticContact ND1-CD2 3.63Å; H355-H404 AromaticContact ND1-NE2 2.95Å; H355-H404 PolarHBondContact ND1-NE2 3.44Å
356	K	83.1	Confident	86.9	Confident	123 Å²	123	62.4 Å²	62.4	54%	0.535	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.1	173.3	-72.8	-173.4	171.9	-168.6	0	108.8	H361 Q362 L363	K356-H361 HydrophobicContact CD-CB 4.34Å; K356-Q362 WeakPolarHBondContact CA-O 3.35Å; K356-L363 HydrophobicContact CG-CD1 3.81Å
357	E	72.8	Confident	86.7	Confident	121 Å²	121	68.9 Å²	68.9	57%	0.565	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	146.7	-179.9	-168.1	171	-164.6	0	0	111.8	Q362 I364	E357-Q362 PolarHBondContact N-O 2.84Å; E357-Q362 VanDerWaalsContact N-O 3.13Å; E357-Q362 PolarHBondContact O-N 3.44Å; E357-I364 HydrophobicContact CB-CD1 3.61Å; E357-I364 HydrophobicContact CB-CG1 4.09Å; E357-I364 HydrophobicContact CG-CD1 4.38Å; E357-I364 WeakPolarHBondContact OE2-CD1 3.41Å
358	G	66.6	Low	86.5	Confident	47 Å²	47	66.2 Å²	66.2	49%	0.485	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	174.8	170.9	0	0	0	0	0	116.4	N360 H361	G358-N360 PolarHBondContact O-N 3.02Å; G358-H361 PolarHBondContact O-N 3.28Å; G358-H361 VanDerWaalsContact O-N 3.1Å
359	P	65.4	Low	86.3	Confident	120 Å²	120	76.3 Å²	76.3	78%	0.779	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.5	-177.7	24	-32.6	0	0	0	113	H361	P359-H361 VanDerWaalsContact C-N 3.29Å; P359-H361 PolarHBondContact O-N 2.97Å; P359-H361 PolarHBondContact O-ND1 3.05Å
360	N	67.3	Low	86.3	Confident	120 Å²	120	79.1 Å²	79.1	64%	0.642	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-2	178.8	-64.8	-11.1	0	0	0	113.5	G358 Q362	G358-N360 PolarHBondContact O-N 3.02Å; N360-Q362 VanDerWaalsContact C-N 3.26Å; N360-Q362 HydrophobicContact CB-CG 4.19Å; N360-Q362 PolarHBondContact O-N 2.91Å
361	H	71.3	Confident	86.3	Confident	105 Å²	105	75.6 Å²	75.6	49%	0.486	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	39	177.3	-65.6	74.9	0	0	0	113.8	K356 G358 P359	K356-H361 HydrophobicContact CD-CB 4.34Å; G358-H361 PolarHBondContact O-N 3.28Å; G358-H361 VanDerWaalsContact O-N 3.1Å; P359-H361 VanDerWaalsContact C-N 3.29Å; P359-H361 PolarHBondContact O-N 2.97Å; P359-H361 PolarHBondContact O-ND1 3.05Å
362	Q	79.2	Confident	86.3	Confident	126 Å²	126	82.8 Å²	82.8	59%	0.589	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	138.3	-179.2	-70.8	-176.6	-5.6	0	0	110.7	K356 E357 N360	K356-Q362 WeakPolarHBondContact CA-O 3.35Å; E357-Q362 PolarHBondContact N-O 2.84Å; E357-Q362 VanDerWaalsContact N-O 3.13Å; E357-Q362 PolarHBondContact O-N 3.44Å; N360-Q362 VanDerWaalsContact C-N 3.26Å; N360-Q362 HydrophobicContact CB-CG 4.19Å; N360-Q362 PolarHBondContact O-N 2.91Å
363	L	84.9	Confident	86.2	Confident	86 Å²	86	81.1 Å²	81.1	45%	0.45	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.9	-180	-162.8	74	0	0	0	110.2	A354 H355 K356 L406	A354-L363 HydrophobicContact CB-CD1 3.82Å; A354-L363 HydrophobicContact CB-CD2 4.24Å; A354-L363 HydrophobicContact CB-CG 4.05Å; H355-L363 WeakPolarHBondContact O-CA 3.43Å; K356-L363 HydrophobicContact CG-CD1 3.81Å; L363-L406 HydrophobicContact CD1-CD2 4.38Å; L363-L406 HydrophobicContact CD2-CD2 3.92Å
364	I	90.6	Very high	86.1	Confident	44 Å²	44	84.3 Å²	84.3	23%	0.226	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	169.9	-178.4	62.4	159.6	0	0	0	111.4	A354 H355 E357 Y408	A354-I364 WeakPolarHBondContact CA-O 3.26Å; H355-I364 HydrophobicContact CB-CG1 4.48Å; H355-I364 PolarHBondContact N-O 3.21Å; H355-I364 WeakPolarHBondContact O-CG1 3.36Å; H355-I364 PolarHBondContact O-N 2.93Å; E357-I364 HydrophobicContact CB-CD1 3.61Å; E357-I364 HydrophobicContact CB-CG1 4.09Å; E357-I364 HydrophobicContact CG-CD1 4.38Å; E357-I364 WeakPolarHBondContact OE2-CD1 3.41Å; I364-Y408 WeakPolarHBondContact O-CD2 3.3Å
365	S	93.9	Very high	86.3	Confident	22 Å²	22	84.1 Å²	84.1	15%	0.154	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129.5	171.5	176.7	0	0	0	0	110.3	P352 Q367 Y408	P352-S365 VanDerWaalsContact CB-OG 3.23Å; P352-S365 WeakPolarHBondContact CB-OG 3.21Å; S365-Q367 PolarHBondContact O-N 3.01Å; S365-Q367 PolarHBondContact O-NE2 3.38Å; S365-Q367 PolarHBondContact OG-NE2 3.26Å; S365-Y408 VanDerWaalsContact N-CD2 3.31Å; S365-Y408 VanDerWaalsContact N-CE2 3.3Å
366	Y	93.8	Very high	86.5	Confident	58 Å²	58	81.4 Å²	81.4	23%	0.227	40%	0.404	C	S	.	.			trans	-62	121.5	174.1	-175.4	-102.8	0	0	0	111.1	F353 H355 G368 I370 F400	F353-Y366 VanDerWaalsContact O-CB 3.31Å; F353-Y366 WeakPolarHBondContact O-CB 3.48Å; F353-Y366 PolarHBondContact O-N 3.26Å; H355-Y366 HydrophobicContact CB-CD2 3.97Å; H355-Y366 AromaticContact CG-CD2 3.93Å; H355-Y366 AromaticContact ND1-CD2 3.91Å; Y366-G368 WeakPolarHBondContact CE1-O 3.15Å; Y366-I370 HydrophobicContact CD1-CG1 4.37Å; Y366-I370 HydrophobicContact CE1-CG1 4.5Å; Y366-F400 AromaticContact CD1-CE2 3.98Å; Y366-F400 HydrophobicContact CD1-CE2 3.98Å; Y366-F400 AromaticContact CD1-CZ 3.99Å; Y366-F400 HydrophobicContact CD1-CZ 3.99Å; Y366-F400 AromaticContact CE1-CE2 3.5Å; Y366-F400 HydrophobicContact CE1-CE2 3.5Å; Y366-F400 VanDerWaalsContact CE1-CE2 3.5Å; Y366-F400 AromaticContact CE1-CZ 3.99Å; Y366-F400 HydrophobicContact CE1-CZ 3.99Å; Y366-F400 HydrophobicContact CE2-CE2 4.27Å; Y366-F400 HydrophobicContact CG-CZ 4.44Å; Y366-F400 AromaticContact CZ-CE2 3.67Å
367	Q	91.3	Very high	87	Confident	158 Å²	158	76.7 Å²	76.7	74%	0.738	39%	0.385	S	S	*	.			trans	-100.5	-7.7	-178.8	-58.9	-55.8	-46.8	0	0	113.7	S365	S365-Q367 PolarHBondContact O-N 3.01Å; S365-Q367 PolarHBondContact O-NE2 3.38Å; S365-Q367 PolarHBondContact OG-NE2 3.26Å
368	G	91.1	Very high	88.1	Confident	38 Å²	38	70.9 Å²	70.9	39%	0.392	36%	0.358	S	S	.	.	S	Bend	trans	-75.4	178.5	-178.9	0	0	0	0	0	113.4	Y366 I370	Y366-G368 WeakPolarHBondContact CE1-O 3.15Å; G368-I370 PolarHBondContact O-N 2.62Å
369	R	93.8	Very high	89.5	Confident	228 Å²	228	68.8 Å²	68.8	86%	0.86	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-70.2	123.8	175.8	-177.2	-179.8	175.7	-175.5	-1.1	110.6
370	I	96.4	Very high	90.7	Very high	60 Å²	60	63.9 Å²	63.9	31%	0.308	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-79.1	128.3	171.3	-58.3	172.4	0	0	0	108.4	F353 Y366 G368 R374 P375	F353-I370 HydrophobicContact CD2-CD1 4.04Å; F353-I370 HydrophobicContact CD2-CG1 4.34Å; F353-I370 HydrophobicContact CE2-CD1 4.06Å; F353-I370 HydrophobicContact CE2-CG1 4.41Å; F353-I370 HydrophobicContact CE2-CG2 3.97Å; Y366-I370 HydrophobicContact CD1-CG1 4.37Å; Y366-I370 HydrophobicContact CE1-CG1 4.5Å; G368-I370 PolarHBondContact O-N 2.62Å; I370-R374 HydrophobicContact CG2-CG 4.41Å; I370-P375 HydrophobicContact CG2-CG 4.46Å
371	P	96.7	Very high	91.7	Very high	11 Å²	11	58.1 Å²	58.1	7%	0.071	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-71.3	164.7	-178.9	31.1	-36.6	0	0	0	112.2	P373 P375 D396 V397 F400	P371-P373 CarbonylContact O-C 3.58Å; P371-P375 HydrophobicContact CG-CG 3.91Å; P371-D396 HydrophobicContact CB-CB 4.43Å; P371-D396 WeakPolarHBondContact CB-OD2 3.22Å; P371-V397 HydrophobicContact CB-CG2 3.79Å; P371-V397 HydrophobicContact CG-CB 4.48Å; P371-V397 HydrophobicContact CG-CG2 4.05Å; P371-F400 HydrophobicContact CG-CB 3.84Å; P371-F400 HydrophobicContact CG-CD2 4.17Å; P371-F400 HydrophobicContact CG-CG 3.99Å
372	Y	94.7	Very high	92.6	Very high	167 Å²	167	56 Å²	56	66%	0.655	28%	0.277	S	S	*	.	S	Bend	trans	-117.2	137.6	179.4	-176.2	-89.2	0	0	0	111.5	F383	Y372-F383 PolarHBondContact OH-O 2.68Å
373	P	95.6	Very high	93	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.019	28%	0.28	C	S	.	.	S	Bend	cis	-62.7	156.9	-4.8	29.3	-37.9	0	0	0	111.7	P371 P375 T384 M387 F393 V397	P371-P373 CarbonylContact O-C 3.58Å; P373-P375 WeakPolarHBondContact O-CD 3.3Å; P373-T384 HydrophobicContact CB-CG2 3.54Å; P373-T384 HydrophobicContact CG-CG2 4.07Å; P373-M387 HydrophobicContact CG-CE 4.44Å; P373-M387 HydrophobicContact CG-SD 3.79Å; P373-F393 HydrophobicContact CG-CD1 4.07Å; P373-F393 HydrophobicContact CG-CE1 4.06Å; P373-V397 WeakPolarHBondContact O-CG2 3.23Å
374	R	96.4	Very high	93.3	Very high	68 Å²	68	53.3 Å²	53.3	26%	0.257	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-57.2	128.7	-177.5	-177.7	178.3	169.9	107.5	10.3	109.6	F349 N350 G351 I370 G376 T377	F349-R374 PolarHBondContact O-NH2 2.89Å; N350-R374 PolarHBondContact O-NH1 3.48Å; N350-R374 VanDerWaalsContact O-NH1 3.08Å; N350-R374 PolarHBondContact O-NH2 3.44Å; G351-R374 PolarHBondContact O-NH2 3.44Å; I370-R374 HydrophobicContact CG2-CG 4.41Å; R374-G376 PolarHBondContact O-N 2.55Å; R374-T377 WeakPolarHBondContact O-CB 3.47Å; R374-T377 PolarHBondContact O-N 2.83Å; R374-T377 VanDerWaalsContact O-N 3.07Å; R374-T377 PolarHBondContact O-OG1 2.91Å; R374-T377 VanDerWaalsContact O-OG1 3.04Å
375	P	97.1	Very high	93.3	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.013	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	130.4	176.4	-28.8	35.1	0	0	0	112	F353 I370 P371 P373 V397 F400 I401	F353-P375 HydrophobicContact CE1-CB 4.43Å; F353-P375 HydrophobicContact CZ-CB 3.97Å; F353-P375 HydrophobicContact CZ-CG 4.4Å; I370-P375 HydrophobicContact CG2-CG 4.46Å; P371-P375 HydrophobicContact CG-CG 3.91Å; P373-P375 WeakPolarHBondContact O-CD 3.3Å; P375-V397 HydrophobicContact CG-CG1 4.26Å; P375-F400 HydrophobicContact CB-CD1 3.97Å; P375-F400 HydrophobicContact CB-CE1 4.46Å; P375-F400 HydrophobicContact CG-CB 4.33Å; P375-F400 HydrophobicContact CG-CD1 3.46Å; P375-F400 VanDerWaalsContact CG-CD1 3.46Å; P375-F400 HydrophobicContact CG-CE1 4.03Å; P375-F400 HydrophobicContact CG-CG 4.07Å; P375-I401 HydrophobicContact CB-CB 4.21Å; P375-I401 HydrophobicContact CB-CD1 4.48Å; P375-I401 HydrophobicContact CB-CG1 4.38Å
376	G	94.4	Very high	93.2	Very high	3 Å²	3	61.4 Å²	61.4	3%	0.031	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	-3	-175	0	0	0	0	0	115.7	R374	R374-G376 PolarHBondContact O-N 2.55Å
377	T	94.8	Very high	93.1	Very high	23 Å²	23	60.7 Å²	60.7	14%	0.141	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-74.6	141.4	171	-62.2	0	0	0	0	111.2	R374 F383 T384	R374-T377 WeakPolarHBondContact O-CB 3.47Å; R374-T377 PolarHBondContact O-N 2.83Å; R374-T377 VanDerWaalsContact O-N 3.07Å; R374-T377 PolarHBondContact O-OG1 2.91Å; R374-T377 VanDerWaalsContact O-OG1 3.04Å; T377-F383 HydrophobicContact CG2-CB 4.08Å; T377-T384 HydrophobicContact CG2-CG2 3.67Å
378	C	95.4	Very high	93.1	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-78.4	149	-179.9	-58.1	0	0	0	0	111.5	N236 C266 T384	N236-C378 VanDerWaalsContact O-CB 3.3Å; N236-C378 WeakPolarHBondContact O-CB 2.91Å; C266-C378 HydrophobicContact CB-CB 3.72Å; C266-C378 WeakPolarHBondContact CB-SG 3.23Å; C266-C378 WeakPolarHBondContact SG-CA 3.49Å; C266-C378 WeakPolarHBondContact SG-CB 3.41Å; C266-C378 PolarHBondContact SG-N 3.37Å; C266-C378 CovalentContact SG-SG 2.04Å; C266-C378 PolarHBondContact SG-SG 3.08Å; C378-T384 PolarHBondContact O-OG1 3.27Å
379	P	94.6	Very high	93.2	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.013	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	142.6	172.1	33.3	-37.7	0	0	0	110.8	N268 G381 M387 T390 F393	N268-P379 HydrophobicContact CB-CG 4.18Å; P379-G381 PolarHBondContact O-N 3.25Å; P379-M387 CarbonylContact C-O 3.56Å; P379-M387 WeakPolarHBondContact CA-O 3.45Å; P379-M387 WeakPolarHBondContact CB-O 3.41Å; P379-T390 HydrophobicContact CB-CG2 4.32Å; P379-T390 HydrophobicContact CG-CG2 3.84Å; P379-F393 HydrophobicContact CB-CE1 4.47Å; P379-F393 HydrophobicContact CB-CZ 4.35Å
380	G	90.9	Very high	93.2	Very high	17 Å²	17	52.4 Å²	52.4	18%	0.175	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	12.3	177.5	0	0	0	0	0	114.5	N236 T384 M387	N236-G380 WeakPolarHBondContact CB-O 3.47Å; N236-G380 PolarHBondContact ND2-O 3.16Å; G380-T384 PolarHBondContact N-O 3.31Å; G380-M387 PolarHBondContact N-O 2.65Å
381	G	89.6	Confident	93.1	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-86.5	-176	174.6	0	0	0	0	0	112.4	D237 P379 F383 T384	D237-G381 WeakPolarHBondContact OD1-CA 3.31Å; P379-G381 PolarHBondContact O-N 3.25Å; G381-F383 PolarHBondContact O-N 2.7Å; G381-F383 VanDerWaalsContact O-N 3.13Å; G381-T384 PolarHBondContact N-OG1 3.31Å; G381-T384 CarbonylContact O-C 3.59Å; G381-T384 PolarHBondContact O-N 2.88Å; G381-T384 VanDerWaalsContact O-N 3.07Å
382	A	89.2	Confident	93	Very high	60 Å²	60	58.1 Å²	58.1	50%	0.496	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.2	-172.5	0	0	0	0	0	113.5	D234 D237	D234-A382 HydrophobicContact CB-CB 4.44Å; D237-A382 WeakPolarHBondContact OD2-CB 3.48Å; D237-A382 PolarHBondContact OD2-N 2.99Å
383	F	87.6	Confident	93.1	Very high	150 Å²	150	50.8 Å²	50.8	66%	0.658	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-9.6	-179	-62.5	-76.2	0	0	0	114.2	Y372 T377 G381 P385	Y372-F383 PolarHBondContact OH-O 2.68Å; T377-F383 HydrophobicContact CG2-CB 4.08Å; G381-F383 PolarHBondContact O-N 2.7Å; G381-F383 VanDerWaalsContact O-N 3.13Å; F383-P385 VanDerWaalsContact C-CD 3.47Å
384	T	91.3	Very high	93.1	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.031	27%	0.268	C	S	.	.			trans	-138.1	47.3	-175.4	49.4	0	0	0	0	111.3	P373 T377 C378 G380 G381 N386 M387	P373-T384 HydrophobicContact CB-CG2 3.54Å; P373-T384 HydrophobicContact CG-CG2 4.07Å; T377-T384 HydrophobicContact CG2-CG2 3.67Å; C378-T384 PolarHBondContact O-OG1 3.27Å; G380-T384 PolarHBondContact N-O 3.31Å; G381-T384 PolarHBondContact N-OG1 3.31Å; G381-T384 CarbonylContact O-C 3.59Å; G381-T384 PolarHBondContact O-N 2.88Å; G381-T384 VanDerWaalsContact O-N 3.07Å; T384-N386 PolarHBondContact O-N 3.23Å; T384-N386 VanDerWaalsContact O-N 3.09Å; T384-M387 HydrophobicContact CG2-SD 4.36Å; T384-M387 PolarHBondContact O-N 2.61Å
385	P	90.1	Very high	93	Very high	84 Å²	84	52.9 Å²	52.9	55%	0.545	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.9	-171.3	26.6	-36.2	0	0	0	112.9	F383	F383-P385 VanDerWaalsContact C-CD 3.47Å
386	N	92.2	Very high	93	Very high	152 Å²	152	57.1 Å²	57.1	81%	0.813	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-10.2	-179	-62	-25.8	0	0	0	113.7	T384	T384-N386 PolarHBondContact O-N 3.23Å; T384-N386 VanDerWaalsContact O-N 3.09Å
387	M	92.7	Very high	93.1	Very high	43 Å²	43	57.1 Å²	57.1	21%	0.212	30%	0.295	C	S	.	.			trans	-107.1	99.2	-177	-65.7	176.9	174.9	0	0	109.9	P373 P379 G380 T384 E392 F393	P373-M387 HydrophobicContact CG-CE 4.44Å; P373-M387 HydrophobicContact CG-SD 3.79Å; P379-M387 CarbonylContact C-O 3.56Å; P379-M387 WeakPolarHBondContact CA-O 3.45Å; P379-M387 WeakPolarHBondContact CB-O 3.41Å; G380-M387 PolarHBondContact N-O 2.65Å; T384-M387 HydrophobicContact CG2-SD 4.36Å; T384-M387 PolarHBondContact O-N 2.61Å; M387-E392 VanDerWaalsContact CA-OE2 3.25Å; M387-E392 WeakPolarHBondContact CA-OE2 3.31Å; M387-F393 HydrophobicContact CB-CE1 4.36Å; M387-F393 HydrophobicContact SD-CD1 3.89Å; M387-F393 HydrophobicContact SD-CE1 4.02Å
388	R	89.8	Confident	93.2	Very high	217 Å²	217	56.1 Å²	56.1	82%	0.819	29%	0.289	S	S	*	.			trans	-82.2	-20.2	-172.4	-65.6	-173.7	178.1	-166.7	0.1	113.2	E392	R388-E392 PolarHBondContact N-OE2 3.17Å
389	T	93.4	Very high	93.2	Very high	34 Å²	34	59.2 Å²	59.2	21%	0.209	31%	0.308	C	S	.	.	S	Bend	trans	-137.9	147.5	179	173.7	0	0	0	0	111.1	T270 K391 E392	T270-T389 PolarHBondContact OG1-OG1 2.85Å; T389-K391 HydrophobicContact CG2-CB 4.06Å; T389-K391 PolarHBondContact O-N 3.06Å; T389-K391 VanDerWaalsContact O-N 3.14Å; T389-K391 PolarHBondContact OG1-N 2.83Å; T389-E392 HydrophobicContact CG2-CG 3.79Å; T389-E392 WeakPolarHBondContact CG2-OE1 3.41Å; T389-E392 WeakPolarHBondContact O-CB 2.94Å; T389-E392 PolarHBondContact O-N 2.81Å
390	T	94.8	Very high	93.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-60.5	-16.1	171.4	50.7	0	0	0	0	114.2	D269 T270 G271 T281 T282 P379 E392 F393	D269-T390 HydrophobicContact CB-CG2 4.09Å; D269-T390 PolarHBondContact OD1-OG1 2.8Å; T270-T390 PolarHBondContact N-OG1 3.46Å; T270-T390 PolarHBondContact OG1-OG1 2.84Å; G271-T390 PolarHBondContact N-OG1 2.96Å; G271-T390 PolarHBondContact O-OG1 2.88Å; T281-T390 VanDerWaalsContact OG1-CB 3.22Å; T281-T390 WeakPolarHBondContact OG1-CB 3.44Å; T281-T390 VanDerWaalsContact OG1-CG2 3.29Å; T281-T390 WeakPolarHBondContact OG1-CG2 3.16Å; T282-T390 HydrophobicContact CG2-CG2 4.3Å; P379-T390 HydrophobicContact CB-CG2 4.32Å; P379-T390 HydrophobicContact CG-CG2 3.84Å; T390-E392 PolarHBondContact O-N 2.86Å; T390-F393 HydrophobicContact CG2-CD2 4.07Å; T390-F393 HydrophobicContact CG2-CE2 3.56Å; T390-F393 HydrophobicContact CG2-CZ 3.95Å; T390-F393 VanDerWaalsContact O-CB 3.3Å; T390-F393 WeakPolarHBondContact O-CB 3.36Å; T390-F393 WeakPolarHBondContact O-CG 3.3Å; T390-F393 PolarHBondContact O-N 2.93Å; T390-F393 VanDerWaalsContact O-N 3.17Å
391	K	94.5	Very high	93.5	Very high	92 Å²	92	59 Å²	59	40%	0.4	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-68.3	-20.1	171.8	-66.8	-176.2	178.8	-177.7	0	113.3	G271 L273 T389 F393	G271-K391 WeakPolarHBondContact O-CG 3.42Å; L273-K391 HydrophobicContact CB-CB 4.33Å; T389-K391 HydrophobicContact CG2-CB 4.06Å; T389-K391 PolarHBondContact O-N 3.06Å; T389-K391 VanDerWaalsContact O-N 3.14Å; T389-K391 PolarHBondContact OG1-N 2.83Å; K391-F393 VanDerWaalsContact C-N 3.3Å
392	E	95.1	Very high	93.8	Very high	99 Å²	99	63.7 Å²	63.7	46%	0.463	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-85.3	-5.1	175.2	-67.4	161.6	-165	0	0	112	M387 R388 T389 T390	M387-E392 VanDerWaalsContact CA-OE2 3.25Å; M387-E392 WeakPolarHBondContact CA-OE2 3.31Å; R388-E392 PolarHBondContact N-OE2 3.17Å; T389-E392 HydrophobicContact CG2-CG 3.79Å; T389-E392 WeakPolarHBondContact CG2-OE1 3.41Å; T389-E392 WeakPolarHBondContact O-CB 2.94Å; T389-E392 PolarHBondContact O-N 2.81Å; T390-E392 PolarHBondContact O-N 2.86Å
393	F	95.8	Very high	94	Very high	12 Å²	12	64.1 Å²	64.1	5%	0.053	31%	0.314	C	S	.	.	S	Bend	trans	-65.9	134.8	177.3	-70.1	-9.9	0	0	0	111	T282 P373 P379 M387 T390 K391 V398	T282-F393 HydrophobicContact CG2-CE2 4.26Å; P373-F393 HydrophobicContact CG-CD1 4.07Å; P373-F393 HydrophobicContact CG-CE1 4.06Å; P379-F393 HydrophobicContact CB-CE1 4.47Å; P379-F393 HydrophobicContact CB-CZ 4.35Å; M387-F393 HydrophobicContact CB-CE1 4.36Å; M387-F393 HydrophobicContact SD-CD1 3.89Å; M387-F393 HydrophobicContact SD-CE1 4.02Å; T390-F393 HydrophobicContact CG2-CD2 4.07Å; T390-F393 HydrophobicContact CG2-CE2 3.56Å; T390-F393 HydrophobicContact CG2-CZ 3.95Å; T390-F393 VanDerWaalsContact O-CB 3.3Å; T390-F393 WeakPolarHBondContact O-CB 3.36Å; T390-F393 WeakPolarHBondContact O-CG 3.3Å; T390-F393 PolarHBondContact O-N 2.93Å; T390-F393 VanDerWaalsContact O-N 3.17Å; K391-F393 VanDerWaalsContact C-N 3.3Å; F393-V398 HydrophobicContact CB-CG2 4.11Å
394	P	95.9	Very high	94.4	Very high	47 Å²	47	58 Å²	58	31%	0.305	29%	0.287	S	S	.	.			trans	-54.2	147	174.4	-31	39.5	0	0	0	113.6	D396 V397 V398	P394-D396 WeakPolarHBondContact CB-OD1 3.35Å; P394-D396 PolarHBondContact O-N 3.4Å; P394-V397 HydrophobicContact CB-CG2 4.22Å; P394-V397 HydrophobicContact CG-CG2 4.44Å; P394-V397 WeakPolarHBondContact O-CB 3.25Å; P394-V397 PolarHBondContact O-N 3.39Å; P394-V397 VanDerWaalsContact O-N 3.13Å; P394-V398 PolarHBondContact O-N 3.46Å
395	D	95	Very high	94.6	Very high	69 Å²	69	58 Å²	58	37%	0.369	29%	0.287	S	S	.	.	H	α-helix	trans	-61.1	-30.3	-177.4	-80.2	-30.7	0	0	0	112.3	R274 T399	R274-D395 IonicContact NH1-OD2 3.17Å; R274-D395 PolarHBondContact NH1-OD2 2.86Å; D395-T399 VanDerWaalsContact O-CB 3.23Å; D395-T399 WeakPolarHBondContact O-CB 3.22Å; D395-T399 PolarHBondContact O-N 3.3Å; D395-T399 PolarHBondContact O-OG1 2.81Å
396	D	95.5	Very high	94.9	Very high	91 Å²	91	55.9 Å²	55.9	49%	0.487	27%	0.271	S	S	.	.	H	α-helix	trans	-67.8	-39.9	175.7	65.3	-22.5	0	0	0	112.6	P371 P394 T399 F400	P371-D396 HydrophobicContact CB-CB 4.43Å; P371-D396 WeakPolarHBondContact CB-OD2 3.22Å; P394-D396 WeakPolarHBondContact CB-OD1 3.35Å; P394-D396 PolarHBondContact O-N 3.4Å; D396-T399 PolarHBondContact O-N 3.19Å; D396-F400 WeakPolarHBondContact O-CB 3.33Å; D396-F400 PolarHBondContact O-N 3.26Å
397	V	96.7	Very high	95.2	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-49	173	177.3	0	0	0	0	110.9	P371 P373 P375 P394 T399 F400 I401	P371-V397 HydrophobicContact CB-CG2 3.79Å; P371-V397 HydrophobicContact CG-CB 4.48Å; P371-V397 HydrophobicContact CG-CG2 4.05Å; P373-V397 WeakPolarHBondContact O-CG2 3.23Å; P375-V397 HydrophobicContact CG-CG1 4.26Å; P394-V397 HydrophobicContact CB-CG2 4.22Å; P394-V397 HydrophobicContact CG-CG2 4.44Å; P394-V397 WeakPolarHBondContact O-CB 3.25Å; P394-V397 PolarHBondContact O-N 3.39Å; P394-V397 VanDerWaalsContact O-N 3.13Å; V397-T399 VanDerWaalsContact C-N 3.34Å; V397-T399 PolarHBondContact O-N 3.35Å; V397-F400 PolarHBondContact O-N 2.76Å; V397-I401 PolarHBondContact O-N 3.43Å
398	V	96.8	Very high	95.4	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-38.8	-179.6	179.2	0	0	0	0	111.3	L276 T281 F393 P394 I401 R402	L276-V398 HydrophobicContact CB-CG1 3.95Å; L276-V398 HydrophobicContact CD1-CG1 3.9Å; L276-V398 HydrophobicContact CG-CG1 3.98Å; T281-V398 HydrophobicContact CG2-CG1 4.32Å; T281-V398 HydrophobicContact CG2-CG2 4.36Å; F393-V398 HydrophobicContact CB-CG2 4.11Å; P394-V398 PolarHBondContact O-N 3.46Å; V398-I401 WeakPolarHBondContact O-CG2 3.27Å; V398-R402 PolarHBondContact O-N 3.2Å
399	T	95.4	Very high	95.8	Very high	64 Å²	64	44.7 Å²	44.7	39%	0.393	22%	0.221	S	C	.	.	H	α-helix	trans	-71	-36.7	177.5	-58.7	0	0	0	0	111.3	D395 D396 V397 N403	D395-T399 VanDerWaalsContact O-CB 3.23Å; D395-T399 WeakPolarHBondContact O-CB 3.22Å; D395-T399 PolarHBondContact O-N 3.3Å; D395-T399 PolarHBondContact O-OG1 2.81Å; D396-T399 PolarHBondContact O-N 3.19Å; V397-T399 VanDerWaalsContact C-N 3.34Å; V397-T399 PolarHBondContact O-N 3.35Å; T399-N403 PolarHBondContact O-N 2.92Å; T399-N403 PolarHBondContact O-ND2 3.12Å
400	F	96.4	Very high	95.9	Very high	16 Å²	16	44.8 Å²	44.8	7%	0.07	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-52.5	177.3	-173.6	-80.5	0	0	0	111.2	F353 Y366 P371 P375 D396 V397 R402 N403 H404	F353-F400 HydrophobicContact CB-CE1 4.29Å; F353-F400 HydrophobicContact CB-CZ 4.23Å; F353-F400 AromaticContact CD1-CE1 3.98Å; F353-F400 HydrophobicContact CD1-CE1 3.98Å; F353-F400 AromaticContact CD2-CE1 3.57Å; F353-F400 HydrophobicContact CD2-CE1 3.57Å; F353-F400 AromaticContact CD2-CZ 3.69Å; F353-F400 HydrophobicContact CD2-CZ 3.69Å; F353-F400 HydrophobicContact CE1-CE1 4.18Å; F353-F400 AromaticContact CE2-CE1 3.79Å; F353-F400 HydrophobicContact CE2-CE1 3.79Å; F353-F400 HydrophobicContact CE2-CZ 4.22Å; F353-F400 AromaticContact CG-CE1 3.67Å; F353-F400 HydrophobicContact CG-CE1 3.67Å; F353-F400 AromaticContact CG-CZ 3.96Å; F353-F400 HydrophobicContact CG-CZ 3.96Å; F353-F400 HydrophobicContact CZ-CE1 4.1Å; Y366-F400 AromaticContact CD1-CE2 3.98Å; Y366-F400 HydrophobicContact CD1-CE2 3.98Å; Y366-F400 AromaticContact CD1-CZ 3.99Å; Y366-F400 HydrophobicContact CD1-CZ 3.99Å; Y366-F400 AromaticContact CE1-CE2 3.5Å; Y366-F400 HydrophobicContact CE1-CE2 3.5Å; Y366-F400 VanDerWaalsContact CE1-CE2 3.5Å; Y366-F400 AromaticContact CE1-CZ 3.99Å; Y366-F400 HydrophobicContact CE1-CZ 3.99Å; Y366-F400 HydrophobicContact CE2-CE2 4.27Å; Y366-F400 HydrophobicContact CG-CZ 4.44Å; Y366-F400 AromaticContact CZ-CE2 3.67Å; P371-F400 HydrophobicContact CG-CB 3.84Å; P371-F400 HydrophobicContact CG-CD2 4.17Å; P371-F400 HydrophobicContact CG-CG 3.99Å; P375-F400 HydrophobicContact CB-CD1 3.97Å; P375-F400 HydrophobicContact CB-CE1 4.46Å; P375-F400 HydrophobicContact CG-CB 4.33Å; P375-F400 HydrophobicContact CG-CD1 3.46Å; P375-F400 VanDerWaalsContact CG-CD1 3.46Å; P375-F400 HydrophobicContact CG-CE1 4.03Å; P375-F400 HydrophobicContact CG-CG 4.07Å; D396-F400 WeakPolarHBondContact O-CB 3.33Å; D396-F400 PolarHBondContact O-N 3.26Å; V397-F400 PolarHBondContact O-N 2.76Å; F400-R402 VanDerWaalsContact C-N 3.29Å; F400-R402 PolarHBondContact O-N 2.9Å; F400-N403 PolarHBondContact O-N 2.75Å; F400-H404 HydrophobicContact CD1-CB 4.12Å; F400-H404 AromaticContact CD2-ND1 3.95Å; F400-H404 HydrophobicContact CE1-CB 3.74Å; F400-H404 AromaticContact CE2-ND1 3.96Å; F400-H404 HydrophobicContact CZ-CB 4.15Å; F400-H404 PolarHBondContact O-N 2.98Å; F400-H404 PolarHBondContact O-ND1 3.45Å; F400-H404 VanDerWaalsContact O-ND1 3.1Å
401	I	95.9	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-34.1	-175.9	-157	173	0	0	0	112.3	L276 T281 F283 L284 P375 V397 V398 N403 H404	L276-I401 HydrophobicContact CD1-CG2 3.98Å; T281-I401 WeakPolarHBondContact O-CD1 3.4Å; F283-I401 WeakPolarHBondContact O-CD1 3.45Å; L284-I401 HydrophobicContact CD2-CD1 4.06Å; L284-I401 HydrophobicContact CD2-CG1 3.95Å; L284-I401 HydrophobicContact CG-CD1 4.36Å; P375-I401 HydrophobicContact CB-CB 4.21Å; P375-I401 HydrophobicContact CB-CD1 4.48Å; P375-I401 HydrophobicContact CB-CG1 4.38Å; V397-I401 PolarHBondContact O-N 3.43Å; V398-I401 WeakPolarHBondContact O-CG2 3.27Å; I401-N403 PolarHBondContact O-N 2.83Å; I401-H404 PolarHBondContact O-N 2.89Å
402	R	95.4	Very high	96.2	Very high	98 Å²	98	44.3 Å²	44.3	37%	0.37	22%	0.22	S	C	.	.	H	α-helix	trans	-56.9	-36.1	174.5	-172.5	173.9	-174	-161.9	-4.2	112.5	D211 W217 L276 V398 F400	D211-R402 IonicContact OD2-CZ 2.71Å; D211-R402 IonicContact OD2-NE 3.18Å; D211-R402 PolarHBondContact OD2-NE 3.03Å; D211-R402 VanDerWaalsContact OD2-NE 3.13Å; D211-R402 IonicContact OD2-NH2 2.97Å; W217-R402 HydrophobicContact CZ2-CG 4.46Å; W217-R402 PolarHBondContact NE1-O 3.27Å; L276-R402 HydrophobicContact CD1-CB 4.04Å; L276-R402 HydrophobicContact CD2-CB 4.33Å; L276-R402 HydrophobicContact CD2-CG 3.98Å; L276-R402 HydrophobicContact CG-CB 4.37Å; V398-R402 PolarHBondContact O-N 3.2Å; F400-R402 VanDerWaalsContact C-N 3.29Å; F400-R402 PolarHBondContact O-N 2.9Å
403	N	93.8	Very high	96.2	Very high	68 Å²	68	39.9 Å²	39.9	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-97	-22.2	-174.3	-72.2	-50.6	0	0	0	114	T399 F400 I401 P405	T399-N403 PolarHBondContact O-N 2.92Å; T399-N403 PolarHBondContact O-ND2 3.12Å; F400-N403 PolarHBondContact O-N 2.75Å; I401-N403 PolarHBondContact O-N 2.83Å; N403-P405 VanDerWaalsContact C-CD 3.41Å
404	H	95.6	Very high	96.1	Very high	23 Å²	23	41.3 Å²	41.3	11%	0.106	21%	0.207	C	C	.	.			trans	-129	57.3	-175.7	-52.6	92.5	0	0	0	112.7	F353 A354 H355 F400 I401 L406	F353-H404 HydrophobicContact CB-CB 4.26Å; F353-H404 HydrophobicContact CD1-CB 4.49Å; F353-H404 WeakPolarHBondContact CD1-O 3.5Å; A354-H404 PolarHBondContact O-CD2 3.29Å; H355-H404 AromaticContact CE1-NE2 3.76Å; H355-H404 AromaticContact ND1-CD2 3.63Å; H355-H404 AromaticContact ND1-NE2 2.95Å; H355-H404 PolarHBondContact ND1-NE2 3.44Å; F400-H404 HydrophobicContact CD1-CB 4.12Å; F400-H404 AromaticContact CD2-ND1 3.95Å; F400-H404 HydrophobicContact CE1-CB 3.74Å; F400-H404 AromaticContact CE2-ND1 3.96Å; F400-H404 HydrophobicContact CZ-CB 4.15Å; F400-H404 PolarHBondContact O-N 2.98Å; F400-H404 PolarHBondContact O-ND1 3.45Å; F400-H404 VanDerWaalsContact O-ND1 3.1Å; I401-H404 PolarHBondContact O-N 2.89Å; H404-L406 VanDerWaalsContact C-N 3.29Å; H404-L406 PolarHBondContact O-N 3.31Å
405	P	96.3	Very high	95.7	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.019	22%	0.222	C	C	.	.			trans	-75.4	-16	178.6	32.2	-37.4	0	0	0	113.5	K216 W217 F283 L284 K285 N403	K216-P405 HydrophobicContact CB-CG 4.07Å; K216-P405 WeakPolarHBondContact O-CG 3.35Å; W217-P405 HydrophobicContact CG-CG 4.39Å; F283-P405 HydrophobicContact CD1-CB 3.92Å; F283-P405 HydrophobicContact CE1-CB 3.98Å; L284-P405 CarbonylContact C-O 3.52Å; L284-P405 WeakPolarHBondContact CA-O 3.41Å; K285-P405 PolarHBondContact N-O 3.23Å; N403-P405 VanDerWaalsContact C-CD 3.41Å
406	L	96.8	Very high	95.6	Very high	41 Å²	41	49 Å²	49	22%	0.215	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-95.1	133.6	-175.8	177.9	64.4	0	0	0	111.1	M261 K285 A354 L363 H404	M261-L406 HydrophobicContact CE-CD1 3.65Å; K285-L406 HydrophobicContact CG-CB 4.5Å; K285-L406 HydrophobicContact CG-CD1 4.01Å; K285-L406 CarbonylContact O-C 3.58Å; K285-L406 WeakPolarHBondContact O-CA 3.41Å; A354-L406 HydrophobicContact CB-CB 4.17Å; A354-L406 HydrophobicContact CB-CD2 4.05Å; A354-L406 HydrophobicContact CB-CG 3.9Å; A354-L406 WeakPolarHBondContact CB-O 3.48Å; A354-L406 PolarHBondContact N-O 3.31Å; L363-L406 HydrophobicContact CD1-CD2 4.38Å; L363-L406 HydrophobicContact CD2-CD2 3.92Å; H404-L406 VanDerWaalsContact C-N 3.29Å; H404-L406 PolarHBondContact O-N 3.31Å
407	M	98.1	Very high	95.3	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.02	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-79.3	144.2	170.2	-52.7	-47.6	-60.3	0	0	110.9	L284 K285 A286 V348 F349 G351 F353	L284-M407 HydrophobicContact CB-SD 4.45Å; L284-M407 HydrophobicContact CD1-SD 4.09Å; L284-M407 HydrophobicContact CD2-SD 4.38Å; K285-M407 WeakPolarHBondContact O-CG 3.4Å; K285-M407 PolarHBondContact O-N 3.12Å; A286-M407 HydrophobicContact CB-CB 3.97Å; A286-M407 HydrophobicContact CB-CG 4.01Å; V348-M407 HydrophobicContact CG1-CB 4.08Å; V348-M407 HydrophobicContact CG1-CG 4.49Å; V348-M407 WeakPolarHBondContact O-CE 3.43Å; F349-M407 HydrophobicContact CD1-CG 3.78Å; F349-M407 HydrophobicContact CD1-SD 4.29Å; F349-M407 HydrophobicContact CE1-CG 4.29Å; F349-M407 WeakPolarHBondContact O-CE 3.22Å; G351-M407 VanDerWaalsContact O-CE 3.28Å; G351-M407 WeakPolarHBondContact O-CE 3.42Å; F353-M407 HydrophobicContact CD1-CE 4.03Å; F353-M407 HydrophobicContact CD1-SD 3.83Å; F353-M407 HydrophobicContact CE1-CE 4.08Å; F353-M407 HydrophobicContact CE1-SD 3.85Å; F353-M407 HydrophobicContact CG-CE 4.42Å
408	Y	96.5	Very high	95.2	Very high	102 Å²	102	49 Å²	49	40%	0.4	23%	0.23	S	C	.	.	S	Bend	trans	-75	-44.1	-178.4	176.9	-106.6	0	0	0	112.7	P352 I364 S365	P352-Y408 HydrophobicContact CG-CD1 4.21Å; P352-Y408 WeakPolarHBondContact O-CB 3.06Å; P352-Y408 PolarHBondContact O-N 3.47Å; I364-Y408 WeakPolarHBondContact O-CD2 3.3Å; S365-Y408 VanDerWaalsContact N-CD2 3.31Å; S365-Y408 VanDerWaalsContact N-CE2 3.3Å
409	N	97.4	Very high	95	Very high	71 Å²	71	51 Å²	51	38%	0.38	24%	0.239	S	C	.	.	S	Bend	trans	-74.2	137.8	179.2	-68.6	-17	0	0	0	110.7	V348	V348-N409 HydrophobicContact CG1-CB 4.3Å; V348-N409 WeakPolarHBondContact CG1-O 3.45Å; V348-N409 HydrophobicContact CG2-CB 4.33Å
410	S	96.8	Very high	94.9	Very high	35 Å²	35	48 Å²	48	25%	0.245	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-82.6	152.6	169.8	-65.3	0	0	0	0	111.4
411	I	98.2	Very high	94.7	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-93.2	116.6	174.8	-59.7	158.8	0	0	0	108	I262 A286 R287 L288 V289 Y340 I345 V348	I262-I411 HydrophobicContact CG2-CD1 3.37Å; A286-I411 HydrophobicContact CB-CD1 3.75Å; A286-I411 HydrophobicContact CB-CG1 4.36Å; R287-I411 PolarHBondContact O-N 2.67Å; L288-I411 HydrophobicContact CD2-CB 3.92Å; L288-I411 HydrophobicContact CD2-CD1 4.17Å; L288-I411 HydrophobicContact CD2-CG2 3.72Å; V289-I411 PolarHBondContact N-O 2.81Å; Y340-I411 HydrophobicContact CD1-CG2 3.7Å; Y340-I411 HydrophobicContact CE1-CG2 4.21Å; Y340-I411 HydrophobicContact CG-CG2 4.46Å; I345-I411 HydrophobicContact CB-CD1 4.48Å; I345-I411 HydrophobicContact CG1-CD1 4.29Å; I345-I411 HydrophobicContact CG1-CG2 3.86Å; I345-I411 HydrophobicContact CG2-CD1 4.21Å; V348-I411 HydrophobicContact CB-CD1 4.5Å; V348-I411 HydrophobicContact CB-CG1 3.8Å; V348-I411 HydrophobicContact CG1-CD1 4.4Å; V348-I411 HydrophobicContact CG1-CG1 3.85Å; V348-I411 HydrophobicContact CG2-CG1 3.71Å
412	Y	96.8	Very high	94.5	Very high	81 Å²	81	50 Å²	50	32%	0.318	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-101.5	151.5	178	-75.4	-92.7	0	0	0	111.3	V289 Y340 K416	V289-Y412 HydrophobicContact CB-CD1 4.15Å; V289-Y412 HydrophobicContact CB-CE1 4.08Å; V289-Y412 HydrophobicContact CG1-CD1 3.93Å; V289-Y412 HydrophobicContact CG1-CE1 3.6Å; Y340-Y412 WeakPolarHBondContact CD1-O 3.36Å; Y412-K416 HydrophobicContact CG-CG 4.49Å
413	P	96	Very high	94.2	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.032	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-69.6	166.7	177.8	31.3	-39	0	0	0	111	V289 C338 V339 Y340 H415 K416 R417	V289-P413 WeakPolarHBondContact O-CD 3.5Å; C338-P413 HydrophobicContact CB-CB 3.94Å; C338-P413 HydrophobicContact CB-CG 4.46Å; V339-P413 CarbonylContact O-C 3.6Å; V339-P413 WeakPolarHBondContact O-CA 3.47Å; V339-P413 VanDerWaalsContact O-CB 3.28Å; V339-P413 WeakPolarHBondContact O-CB 3.34Å; Y340-P413 HydrophobicContact CD1-CB 4.22Å; Y340-P413 HydrophobicContact CE1-CB 3.93Å; Y340-P413 VanDerWaalsContact CE1-N 3.34Å; P413-H415 PolarHBondContact O-N 3.14Å; P413-K416 WeakPolarHBondContact O-CA 3.47Å; P413-K416 PolarHBondContact O-N 3.12Å; P413-R417 WeakPolarHBondContact CG-O 3.45Å
414	I	92.3	Very high	93.8	Very high	43 Å²	43	50.8 Å²	50.8	22%	0.221	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-52.9	131.1	172.2	-58.8	173.4	0	0	0	108.8	L320 V339 H341 K416	L320-I414 HydrophobicContact CD2-CD1 3.87Å; V339-I414 HydrophobicContact CB-CD1 4.14Å; V339-I414 HydrophobicContact CG1-CD1 3.77Å; V339-I414 WeakPolarHBondContact O-CG1 3.41Å; V339-I414 PolarHBondContact O-N 3.13Å; H341-I414 VanDerWaalsContact NE2-CD1 3.34Å; H341-I414 WeakPolarHBondContact NE2-CD1 3.07Å; I414-K416 PolarHBondContact O-N 3.07Å
415	H	88.6	Confident	93.4	Very high	134 Å²	134	50.1 Å²	50.1	62%	0.62	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	61	14.8	-173.6	-50.5	-56.5	0	0	0	115.8	P413 R417	P413-H415 PolarHBondContact O-N 3.14Å; H415-R417 HydrophobicContact CB-CG 4.21Å; H415-R417 PolarHBondContact O-N 3.18Å
416	K	91.7	Very high	92.9	Very high	142 Å²	142	55.5 Å²	55.5	62%	0.617	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	53.2	31.1	-179.7	-59.1	-171.4	175.6	-174.5	0	114.3	Y412 P413 I414	Y412-K416 HydrophobicContact CG-CG 4.49Å; P413-K416 WeakPolarHBondContact O-CA 3.47Å; P413-K416 PolarHBondContact O-N 3.12Å; I414-K416 PolarHBondContact O-N 3.07Å
417	R	90.9	Very high	92.7	Very high	79 Å²	79	54.7 Å²	54.7	30%	0.298	28%	0.281	S	S	.	.	S	Bend	trans	-145.3	161.3	175.3	62.9	173.6	176.7	-97.9	-15.4	111	P413 H415 S467	P413-R417 WeakPolarHBondContact CG-O 3.45Å; H415-R417 HydrophobicContact CB-CG 4.21Å; H415-R417 PolarHBondContact O-N 3.18Å; R417-S467 PolarHBondContact NE-O 2.84Å; R417-S467 PolarHBondContact NH1-O 2.78Å; R417-S467 VanDerWaalsContact NH1-O 3.1Å; R417-S467 PolarHBondContact NH2-O 2.73Å
418	P	93.9	Very high	92.5	Very high	16 Å²	16	57.3 Å²	57.3	10%	0.104	29%	0.292	C	S	.	.			trans	-70.7	153.4	174	-13	31.5	0	0	0	110.9	S291 V292 A336 V337 V421	S291-P418 VanDerWaalsContact O-CD 3.3Å; S291-P418 WeakPolarHBondContact O-CD 3.23Å; V292-P418 HydrophobicContact CG2-CG 3.72Å; A336-P418 HydrophobicContact CB-CB 4.06Å; A336-P418 HydrophobicContact CB-CG 4.27Å; V337-P418 CarbonylContact O-C 3.36Å; P418-V421 HydrophobicContact CB-CG2 3.79Å; P418-V421 HydrophobicContact CG-CG2 3.85Å
419	L	92.8	Very high	92.5	Very high	43 Å²	43	52.5 Å²	52.5	23%	0.225	27%	0.274	C	S	.	.	S	Bend	trans	-74.6	-41.9	172	-178	64.8	0	0	0	111.7	Y322 V337 V339 L447 V461	Y322-L419 HydrophobicContact CE1-CD2 4.16Å; V337-L419 WeakPolarHBondContact O-CB 3.36Å; V337-L419 PolarHBondContact O-N 3.3Å; V339-L419 HydrophobicContact CG2-CB 4.14Å; V339-L419 HydrophobicContact CG2-CD2 3.76Å; L419-L447 HydrophobicContact CD2-CD2 4.05Å; L419-V461 HydrophobicContact CD1-CG1 3.81Å; L419-V461 HydrophobicContact CD1-CG2 4.16Å; L419-V461 HydrophobicContact CD2-CG2 3.78Å; L419-V461 HydrophobicContact CG-CG2 4.15Å
420	I	93.2	Very high	92.5	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.9	-178.4	-55.2	-171.4	0	0	0	107.8	A336 V337 R422 Y429 L447 L449 V459 E471	A336-I420 CarbonylContact C-O 3.28Å; A336-I420 WeakPolarHBondContact CA-O 3.02Å; V337-I420 HydrophobicContact CB-CB 3.96Å; V337-I420 HydrophobicContact CB-CG1 4.25Å; V337-I420 HydrophobicContact CG2-CB 3.99Å; V337-I420 HydrophobicContact CG2-CD1 4.35Å; V337-I420 HydrophobicContact CG2-CG1 4.41Å; V337-I420 PolarHBondContact N-O 3.02Å; V337-I420 PolarHBondContact O-N 3.24Å; I420-R422 HydrophobicContact CG2-CG 4.44Å; I420-Y429 HydrophobicContact CG2-CE2 4.26Å; I420-L447 HydrophobicContact CD1-CD2 3.87Å; I420-L449 HydrophobicContact CD1-CD1 3.94Å; I420-V459 HydrophobicContact CD1-CB 4.44Å; I420-V459 HydrophobicContact CD1-CG1 3.93Å; I420-E471 VanDerWaalsContact CG1-OE2 3.24Å; I420-E471 WeakPolarHBondContact CG1-OE2 3.33Å; I420-E471 WeakPolarHBondContact CG2-OE2 3.42Å
421	V	92.6	Very high	92.6	Very high	50 Å²	50	50 Å²	50	30%	0.303	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.8	171.3	-179	0	0	0	0	109.4	V292 F302 A336 P418 I423	V292-V421 HydrophobicContact CG2-CG2 3.88Å; F302-V421 HydrophobicContact CZ-CG1 3.89Å; A336-V421 HydrophobicContact CB-CG2 4.5Å; P418-V421 HydrophobicContact CB-CG2 3.79Å; P418-V421 HydrophobicContact CG-CG2 3.85Å; V421-I423 HydrophobicContact CG1-CG2 4.01Å
422	R	91.5	Very high	92.6	Very high	9 Å²	9	50 Å²	50	3%	0.034	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.1	172.8	-66	-66.9	174.3	-92.3	0.1	108.7	G334 S335 I420 T425 Y429 E471	G334-R422 CarbonylContact C-O 3.55Å; G334-R422 WeakPolarHBondContact CA-O 3.4Å; S335-R422 PolarHBondContact N-O 2.64Å; S335-R422 PolarHBondContact O-N 2.95Å; I420-R422 HydrophobicContact CG2-CG 4.44Å; R422-T425 HydrophobicContact CB-CG2 4.27Å; R422-Y429 HydrophobicContact CB-CE2 4.24Å; R422-Y429 HydrophobicContact CG-CD2 4.48Å; R422-Y429 HydrophobicContact CG-CE2 3.46Å; R422-Y429 VanDerWaalsContact CG-CE2 3.46Å; R422-Y429 WeakPolarHBondContact CG-OH 3.21Å; R422-Y429 PolarHBondContact NE-OH 2.73Å; R422-E471 IonicContact CZ-OE1 3.54Å; R422-E471 IonicContact NH1-OE1 3.59Å; R422-E471 PolarHBondContact NH1-OE1 2.89Å; R422-E471 IonicContact NH1-OE2 2.7Å; R422-E471 IonicContact NH2-OE1 2.71Å; R422-E471 PolarHBondContact NH2-OE1 3.06Å; R422-E471 IonicContact NH2-OE2 3.67Å
423	I	89.3	Confident	92.7	Very high	110 Å²	110	46.2 Å²	46.2	56%	0.564	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132	147.1	177.8	55.2	170.7	0	0	0	109.2	Q24 F302 V421 T425	Q24-I423 PolarHBondContact NE2-O 3.34Å; F302-I423 HydrophobicContact CZ-CG2 4.46Å; V421-I423 HydrophobicContact CG1-CG2 4.01Å; I423-T425 PolarHBondContact O-N 3.38Å
424	G	84.3	Confident	92.7	Very high	71 Å²	71	46 Å²	46	73%	0.732	24%	0.241	S	C	*	.	S	Bend	trans	68	19.1	-179.3	0	0	0	0	0	114	Q24	Q24-G424 VanDerWaalsContact NE2-C 3.26Å; Q24-G424 PolarHBondContact NE2-O 3.1Å; Q24-G424 VanDerWaalsContact NE2-O 3.16Å
425	T	87.3	Confident	92.9	Very high	10 Å²	10	44.6 Å²	44.6	6%	0.061	23%	0.234	C	C	.	.			trans	-85.9	156.3	169.6	50.3	0	0	0	0	110.2	Q24 R422 I423 Y427	Q24-T425 VanDerWaalsContact NE2-CG2 3.29Å; R422-T425 HydrophobicContact CB-CG2 4.27Å; I423-T425 PolarHBondContact O-N 3.38Å; T425-Y427 VanDerWaalsContact C-N 3.29Å; T425-Y427 HydrophobicContact CG2-CD1 4.38Å; T425-Y427 HydrophobicContact CG2-CE1 3.73Å; T425-Y427 HydrophobicContact CG2-CE2 4.26Å; T425-Y427 PolarHBondContact OG1-O 3.26Å
426	D	87.1	Confident	93.1	Very high	116 Å²	116	41.9 Å²	41.9	62%	0.62	22%	0.219	S	C	*	.	S	Bend	trans	-84.1	-5.2	173.2	68.4	-31	0	0	0	113.3
427	Y	91.3	Very high	93.2	Very high	24 Å²	24	35.7 Å²	35.7	9%	0.094	19%	0.193	C	C	.	.			trans	-115	159.3	175.2	63.8	-95.2	0	0	0	112.9	T425 Y429 T451 D452 Q457	T425-Y427 VanDerWaalsContact C-N 3.29Å; T425-Y427 HydrophobicContact CG2-CD1 4.38Å; T425-Y427 HydrophobicContact CG2-CE1 3.73Å; T425-Y427 HydrophobicContact CG2-CE2 4.26Å; T425-Y427 PolarHBondContact OG1-O 3.26Å; Y427-Y429 HydrophobicContact CD2-CE1 4.34Å; Y427-Y429 HydrophobicContact CE2-CD1 4.35Å; Y427-Y429 AromaticContact CE2-CE1 3.76Å; Y427-Y429 HydrophobicContact CE2-CE1 3.76Å; Y427-T451 HydrophobicContact CD2-CG2 3.79Å; Y427-T451 HydrophobicContact CE2-CG2 4.34Å; Y427-T451 HydrophobicContact CG-CG2 4.25Å; Y427-D452 VanDerWaalsContact CA-OD1 3.25Å; Y427-D452 WeakPolarHBondContact CA-OD1 3.44Å; Y427-Q457 PolarHBondContact OH-NE2 2.86Å; Y427-Q457 VanDerWaalsContact OH-NE2 3.1Å
428	K	94.1	Very high	93.2	Very high	58 Å²	58	35.6 Å²	35.6	25%	0.252	20%	0.198	S	C	.	.			trans	-118.8	145.6	167.3	-66.1	-175.6	175.8	-167.3	0	110.1	T326 T451 D452	T326-K428 HydrophobicContact CG2-CD 4.46Å; K428-T451 CarbonylContact O-C 3.51Å; K428-T451 VanDerWaalsContact O-CA 3.26Å; K428-T451 WeakPolarHBondContact O-CA 3.47Å; K428-D452 PolarHBondContact N-OD1 3.38Å; K428-D452 PolarHBondContact O-N 3.18Å
429	Y	97.3	Very high	93	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	136.4	168.8	-64.5	-45.6	0	0	0	110.9	S335 I420 R422 Y427 L449 G450 T451 Q457	S335-Y429 PolarHBondContact OG-N 2.97Å; I420-Y429 HydrophobicContact CG2-CE2 4.26Å; R422-Y429 HydrophobicContact CB-CE2 4.24Å; R422-Y429 HydrophobicContact CG-CD2 4.48Å; R422-Y429 HydrophobicContact CG-CE2 3.46Å; R422-Y429 VanDerWaalsContact CG-CE2 3.46Å; R422-Y429 WeakPolarHBondContact CG-OH 3.21Å; R422-Y429 PolarHBondContact NE-OH 2.73Å; Y427-Y429 HydrophobicContact CD2-CE1 4.34Å; Y427-Y429 HydrophobicContact CE2-CD1 4.35Å; Y427-Y429 AromaticContact CE2-CE1 3.76Å; Y427-Y429 HydrophobicContact CE2-CE1 3.76Å; Y429-L449 HydrophobicContact CD1-CB 3.77Å; Y429-L449 HydrophobicContact CD1-CD1 4.42Å; Y429-L449 HydrophobicContact CD2-CD1 4.34Å; Y429-L449 HydrophobicContact CE1-CB 3.73Å; Y429-L449 HydrophobicContact CE1-CD1 3.92Å; Y429-L449 HydrophobicContact CE1-CG 4.46Å; Y429-L449 HydrophobicContact CE2-CD1 3.82Å; Y429-L449 HydrophobicContact CG-CB 4.4Å; Y429-G450 CarbonylContact C-O 3.58Å; Y429-G450 WeakPolarHBondContact CA-O 3.29Å; Y429-T451 HydrophobicContact CD1-CG2 4.1Å; Y429-T451 HydrophobicContact CE1-CG2 4.27Å; Y429-Q457 VanDerWaalsContact CE1-OE1 3.27Å; Y429-Q457 PolarHBondContact OH-OE1 2.81Å
430	T	97.3	Very high	92.8	Very high	25 Å²	25	36.6 Å²	36.6	15%	0.153	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-36.5	-177.9	59.9	0	0	0	0	113.2	G450 D452 I486	T430-G450 PolarHBondContact N-O 3.3Å; T430-G450 PolarHBondContact OG1-O 3.04Å; T430-D452 HydrophobicContact CG2-CB 3.83Å; T430-I486 WeakPolarHBondContact CB-O 3.11Å; T430-I486 PolarHBondContact OG1-O 3Å
431	K	98.2	Very high	92.6	Very high	29 Å²	29	39.7 Å²	39.7	13%	0.126	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.3	-175.9	-66.2	-60.5	173	-158.1	0	113.1	E306 D307 I324 L449 G450 I486 T487 M489	E306-K431 PolarHBondContact O-NZ 2.88Å; D307-K431 HydrophobicContact CB-CD 4.01Å; D307-K431 WeakPolarHBondContact OD1-CD 3.44Å; D307-K431 IonicContact OD1-NZ 3.34Å; D307-K431 PolarHBondContact OD1-NZ 2.85Å; D307-K431 VanDerWaalsContact OD2-CA 3.3Å; D307-K431 WeakPolarHBondContact OD2-CA 3.46Å; D307-K431 VanDerWaalsContact OD2-CD 3.26Å; D307-K431 WeakPolarHBondContact OD2-CD 3.49Å; I324-K431 WeakPolarHBondContact CD1-O 3.25Å; K431-L449 CarbonylContact O-C 3.47Å; K431-L449 WeakPolarHBondContact O-CA 3.23Å; K431-G450 PolarHBondContact O-N 3.29Å; K431-I486 HydrophobicContact CB-CG2 4.09Å; K431-I486 HydrophobicContact CG-CG2 3.98Å; K431-T487 WeakPolarHBondContact CE-O 3.35Å; K431-M489 HydrophobicContact CB-CB 3.87Å; K431-M489 HydrophobicContact CB-CE 4.02Å; K431-M489 HydrophobicContact CG-CB 4.46Å; K431-M489 WeakPolarHBondContact O-CE 3.49Å
432	I	98.5	Very high	92.4	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.3	179.4	-178.1	160.4	0	0	0	111.5	D307 F309 Y322 I324 V337 V434 L447 F448 L449 M489	D307-I432 HydrophobicContact CB-CG2 4.19Å; D307-I432 PolarHBondContact OD2-N 2.8Å; F309-I432 HydrophobicContact CB-CG2 3.96Å; Y322-I432 HydrophobicContact CD1-CD1 4.19Å; Y322-I432 HydrophobicContact CG-CD1 4.41Å; I324-I432 HydrophobicContact CD1-CB 3.56Å; I324-I432 HydrophobicContact CD1-CG2 3.86Å; I324-I432 HydrophobicContact CG1-CB 3.94Å; I324-I432 HydrophobicContact CG1-CG2 3.95Å; V337-I432 HydrophobicContact CG1-CD1 3.79Å; I432-V434 HydrophobicContact CD1-CG2 3.98Å; I432-V434 HydrophobicContact CG1-CG2 3.82Å; I432-L447 HydrophobicContact CD1-CD2 4.04Å; I432-L447 HydrophobicContact CD1-CG 4.43Å; I432-F448 WeakPolarHBondContact CA-O 3.47Å; I432-L449 HydrophobicContact CB-CD2 4.17Å; I432-L449 HydrophobicContact CD1-CD2 3.78Å; I432-L449 HydrophobicContact CG1-CD2 3.93Å; I432-M489 VanDerWaalsContact C-CE 3.42Å
433	A	98.1	Very high	92.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.6	165.5	0	0	0	0	0	108.1	F309 F448 M489 I491 L498	F309-A433 HydrophobicContact CD2-CB 4.41Å; F309-A433 HydrophobicContact CE2-CB 4.21Å; A433-F448 HydrophobicContact CB-CB 4.4Å; A433-F448 PolarHBondContact N-O 3.14Å; A433-F448 PolarHBondContact O-N 3.42Å; A433-M489 HydrophobicContact CB-CE 3.91Å; A433-M489 HydrophobicContact CB-CG 4.34Å; A433-M489 VanDerWaalsContact N-CE 3.33Å; A433-I491 HydrophobicContact CB-CB 3.97Å; A433-I491 HydrophobicContact CB-CG2 3.91Å; A433-L498 HydrophobicContact CB-CD1 3.93Å
434	V	97.3	Very high	92.5	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.5	-175.9	-170	0	0	0	0	109.5	F309 L311 Y322 I432 H445 V446 L447	F309-V434 HydrophobicContact CD1-CB 3.78Å; F309-V434 HydrophobicContact CD1-CG2 3.8Å; F309-V434 HydrophobicContact CE1-CB 3.72Å; F309-V434 HydrophobicContact CE1-CG2 4.26Å; F309-V434 VanDerWaalsContact CE1-O 3.26Å; F309-V434 WeakPolarHBondContact CE1-O 3.27Å; F309-V434 HydrophobicContact CG-CG2 4.35Å; F309-V434 VanDerWaalsContact CZ-O 3.3Å; F309-V434 WeakPolarHBondContact CZ-O 3.3Å; L311-V434 HydrophobicContact CD2-CG1 4.37Å; Y322-V434 HydrophobicContact CD1-CG2 3.97Å; Y322-V434 HydrophobicContact CD2-CG2 4.03Å; Y322-V434 HydrophobicContact CE1-CG1 4.45Å; Y322-V434 HydrophobicContact CE1-CG2 4.25Å; Y322-V434 HydrophobicContact CE2-CG1 4.27Å; Y322-V434 HydrophobicContact CE2-CG2 4.31Å; Y322-V434 HydrophobicContact CG-CG2 3.87Å; I432-V434 HydrophobicContact CD1-CG2 3.98Å; I432-V434 HydrophobicContact CG1-CG2 3.82Å; V434-H445 HydrophobicContact CG1-CB 4.26Å; V434-V446 WeakPolarHBondContact CA-O 3.47Å; V434-L447 HydrophobicContact CG1-CD1 4.23Å; V434-L447 HydrophobicContact CG1-CG 4.41Å; V434-L447 HydrophobicContact CG2-CG 4.12Å
435	D	95.8	Very high	92.9	Very high	13 Å²	13	40 Å²	40	7%	0.07	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146.2	171.3	-165.4	22	0	0	0	111.1	V437 H445 V446 F448 I491 S493 Y531	D435-V437 HydrophobicContact CB-CG2 4.26Å; D435-H445 WeakPolarHBondContact O-CA 3.32Å; D435-V446 PolarHBondContact N-O 2.97Å; D435-V446 PolarHBondContact O-N 3.46Å; D435-F448 HydrophobicContact CB-CE2 4.41Å; D435-I491 HydrophobicContact CB-CD1 3.83Å; D435-S493 VanDerWaalsContact CG-OG 3.28Å; D435-S493 WeakPolarHBondContact OD1-CB 3.49Å; D435-S493 PolarHBondContact OD1-OG 3.15Å; D435-Y531 WeakPolarHBondContact CB-OH 3.31Å; D435-Y531 VanDerWaalsContact CG-OH 3.25Å; D435-Y531 WeakPolarHBondContact OD2-CE1 3.49Å; D435-Y531 PolarHBondContact OD2-OH 2.9Å
436	R	93.2	Very high	93.3	Very high	77 Å²	77	39.5 Å²	39.5	29%	0.291	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	103.2	176.5	-175.2	174.2	69.1	167.9	1.8	109.1	L311 D314	L311-R436 HydrophobicContact CD1-CB 4.41Å; D314-R436 IonicContact OD1-NH2 2.85Å; D314-R436 PolarHBondContact OD1-NH2 3.32Å
437	V	92.6	Very high	93.9	Very high	12 Å²	12	34 Å²	34	7%	0.073	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132	-169.9	-168.9	0	0	0	0	110.7	D435 R443 Y444 V446 P530 Y531	D435-V437 HydrophobicContact CB-CG2 4.26Å; V437-R443 WeakPolarHBondContact O-CA 3.1Å; V437-Y444 PolarHBondContact N-O 2.87Å; V437-Y444 PolarHBondContact O-N 3.19Å; V437-V446 HydrophobicContact CB-CG2 4.45Å; V437-V446 HydrophobicContact CG2-CB 4.37Å; V437-V446 HydrophobicContact CG2-CG2 3.78Å; V437-P530 HydrophobicContact CB-CB 4.07Å; V437-P530 HydrophobicContact CG1-CB 3.85Å; V437-Y531 HydrophobicContact CB-CE1 4.41Å; V437-Y531 HydrophobicContact CG1-CD1 3.92Å; V437-Y531 HydrophobicContact CG1-CE1 3.95Å; V437-Y531 HydrophobicContact CG1-CG 4.33Å; V437-Y531 HydrophobicContact CG2-CD1 4.26Å; V437-Y531 HydrophobicContact CG2-CD2 4.46Å; V437-Y531 HydrophobicContact CG2-CE1 3.52Å; V437-Y531 HydrophobicContact CG2-CE2 3.77Å; V437-Y531 VanDerWaalsContact CG2-OH 3.28Å; V437-Y531 WeakPolarHBondContact CG2-OH 3.48Å
438	N	90.8	Very high	94.2	Very high	77 Å²	77	33 Å²	33	41%	0.412	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128.7	167.7	-64.1	-62.7	0	0	0	109	R443 F542	N438-R443 WeakPolarHBondContact OD1-CG 3.33Å; N438-R443 PolarHBondContact OD1-NE 2.9Å; N438-F542 WeakPolarHBondContact O-CD1 3.1Å; N438-F542 WeakPolarHBondContact O-CE1 3.4Å
439	A	91.3	Very high	94.4	Very high	13 Å²	13	30.2 Å²	30.2	11%	0.107	16%	0.161	C	C	.	.			trans	-116.3	176.6	171.7	0	0	0	0	0	110.2	D441 G442 Y444 P530 V555	A439-D441 WeakPolarHBondContact CB-OD1 3.18Å; A439-D441 PolarHBondContact O-N 2.95Å; A439-G442 PolarHBondContact N-O 3.13Å; A439-Y444 HydrophobicContact CB-CD2 3.76Å; A439-Y444 HydrophobicContact CB-CE2 3.82Å; A439-P530 HydrophobicContact CB-CB 4.3Å; A439-V555 HydrophobicContact CB-CG2 3.95Å
440	A	88.6	Confident	94.5	Very high	67 Å²	67	30.2 Å²	30.2	55%	0.554	16%	0.161	S	C	*	.	S	Bend	trans	-63.3	-29.8	179.8	0	0	0	0	0	113.7	F542 Q553	A440-F542 HydrophobicContact CB-CE2 4.05Å; A440-F542 HydrophobicContact CB-CZ 4.24Å; A440-Q553 HydrophobicContact CB-CB 4.07Å
441	D	87.8	Confident	94.4	Very high	67 Å²	67	29 Å²	29	36%	0.358	15%	0.154	S	C	.	.	S	Bend	trans	-107.3	-4.9	-173.5	59.5	-26.4	0	0	0	113.8	A439 Y444 R556	A439-D441 WeakPolarHBondContact CB-OD1 3.18Å; A439-D441 PolarHBondContact O-N 2.95Å; D441-Y444 VanDerWaalsContact CG-OH 3.31Å; D441-Y444 VanDerWaalsContact OD1-CE2 3.29Å; D441-Y444 WeakPolarHBondContact OD1-CE2 3.38Å; D441-Y444 PolarHBondContact OD2-OH 3.47Å; D441-R556 WeakPolarHBondContact OD2-CB 3.33Å; D441-R556 PolarHBondContact OD2-N 3.48Å; D441-R556 VanDerWaalsContact OD2-N 3.11Å
442	G	88.8	Confident	94.3	Very high	33 Å²	33	29.5 Å²	29.5	34%	0.34	16%	0.158	S	C	.	.			trans	159.7	-162.7	178.3	0	0	0	0	0	114	A439	A439-G442 PolarHBondContact N-O 3.13Å
443	R	89.8	Confident	94.1	Very high	152 Å²	152	35.3 Å²	35.3	57%	0.574	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.7	175	-71.8	-178.9	-179.5	170.3	3	109.8	V437 N438	V437-R443 WeakPolarHBondContact O-CA 3.1Å; N438-R443 WeakPolarHBondContact OD1-CG 3.33Å; N438-R443 PolarHBondContact OD1-NE 2.9Å
444	Y	92.4	Very high	94	Very high	6 Å²	6	35.3 Å²	35.3	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.8	-178.6	-69.1	-90.2	0	0	0	110.5	V437 A439 D441 V460 L462 P463 P530 V555 R556	V437-Y444 PolarHBondContact N-O 2.87Å; V437-Y444 PolarHBondContact O-N 3.19Å; A439-Y444 HydrophobicContact CB-CD2 3.76Å; A439-Y444 HydrophobicContact CB-CE2 3.82Å; D441-Y444 VanDerWaalsContact CG-OH 3.31Å; D441-Y444 VanDerWaalsContact OD1-CE2 3.29Å; D441-Y444 WeakPolarHBondContact OD1-CE2 3.38Å; D441-Y444 PolarHBondContact OD2-OH 3.47Å; Y444-V460 HydrophobicContact CD1-CG2 3.95Å; Y444-V460 HydrophobicContact CG-CG2 4.36Å; Y444-L462 HydrophobicContact CE1-CD2 4.13Å; Y444-P463 HydrophobicContact CE1-CG 4.23Å; Y444-P530 HydrophobicContact CD2-CB 4.49Å; Y444-P530 HydrophobicContact CD2-CG 4.37Å; Y444-P530 HydrophobicContact CG-CG 4.09Å; Y444-V555 HydrophobicContact CD1-CG1 3.87Å; Y444-V555 HydrophobicContact CD2-CB 4.48Å; Y444-V555 HydrophobicContact CD2-CG1 4.14Å; Y444-V555 HydrophobicContact CE1-CB 4.25Å; Y444-V555 HydrophobicContact CE1-CG1 3.5Å; Y444-V555 HydrophobicContact CE2-CB 3.83Å; Y444-V555 HydrophobicContact CE2-CG1 3.81Å; Y444-V555 HydrophobicContact CE2-CG2 4.27Å; Y444-V555 HydrophobicContact CG-CG1 4.16Å; Y444-V555 VanDerWaalsContact CZ-CG1 3.47Å; Y444-R556 WeakPolarHBondContact OH-CB 3.26Å; Y444-R556 PolarHBondContact OH-N 2.95Å
445	H	93.4	Very high	94	Very high	54 Å²	54	35.5 Å²	35.5	25%	0.25	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.3	166.5	-60.9	170.8	0	0	0	107.8	Y322 V434 D435 L447 V461	Y322-H445 PolarHBondContact OH-ND1 2.83Å; V434-H445 HydrophobicContact CG1-CB 4.26Å; D435-H445 WeakPolarHBondContact O-CA 3.32Å; H445-L447 HydrophobicContact CB-CD1 4.26Å; H445-V461 PolarHBondContact O-N 3.01Å
446	V	96.6	Very high	94.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.3	174.8	-175.7	0	0	0	0	107.7	V434 D435 V437 F448 K458 V459 V460 P530 Y531	V434-V446 WeakPolarHBondContact CA-O 3.47Å; D435-V446 PolarHBondContact N-O 2.97Å; D435-V446 PolarHBondContact O-N 3.46Å; V437-V446 HydrophobicContact CB-CG2 4.45Å; V437-V446 HydrophobicContact CG2-CB 4.37Å; V437-V446 HydrophobicContact CG2-CG2 3.78Å; V446-F448 HydrophobicContact CB-CE2 4.5Å; V446-F448 HydrophobicContact CG1-CE2 4.02Å; V446-F448 HydrophobicContact CG1-CZ 4.04Å; V446-K458 HydrophobicContact CG1-CG 3.78Å; V446-V459 CarbonylContact C-O 3.45Å; V446-V459 WeakPolarHBondContact CA-O 3.46Å; V446-V460 HydrophobicContact CG2-CG2 4.49Å; V446-P530 HydrophobicContact CG2-CB 4.42Å; V446-P530 HydrophobicContact CG2-CG 3.91Å; V446-Y531 HydrophobicContact CB-CE2 4.16Å; V446-Y531 HydrophobicContact CG1-CE2 4.06Å; V446-Y531 HydrophobicContact CG2-CE2 4Å
447	L	98.1	Very high	94.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.2	-179.9	-73.6	69.6	0	0	0	108.8	Y322 V337 L419 I420 I432 V434 H445 L449 K458 V459 V461	Y322-L447 HydrophobicContact CD1-CD2 4.4Å; Y322-L447 HydrophobicContact CE1-CD1 4.47Å; Y322-L447 HydrophobicContact CE1-CD2 4.4Å; V337-L447 HydrophobicContact CG1-CD2 4.05Å; L419-L447 HydrophobicContact CD2-CD2 4.05Å; I420-L447 HydrophobicContact CD1-CD2 3.87Å; I432-L447 HydrophobicContact CD1-CD2 4.04Å; I432-L447 HydrophobicContact CD1-CG 4.43Å; V434-L447 HydrophobicContact CG1-CD1 4.23Å; V434-L447 HydrophobicContact CG1-CG 4.41Å; V434-L447 HydrophobicContact CG2-CG 4.12Å; H445-L447 HydrophobicContact CB-CD1 4.26Å; L447-L449 HydrophobicContact CB-CD2 4.4Å; L447-L449 HydrophobicContact CB-CG 4.37Å; L447-K458 CarbonylContact O-C 3.5Å; L447-K458 WeakPolarHBondContact O-CA 3.27Å; L447-V459 HydrophobicContact CB-CB 4.43Å; L447-V459 PolarHBondContact N-O 3.45Å; L447-V459 PolarHBondContact O-N 2.85Å; L447-V461 HydrophobicContact CD1-CG2 3.75Å
448	F	98.6	Very high	94.6	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.4	167	-60.4	-90.6	0	0	0	106.9	I432 A433 D435 V446 V456 Q457 K458 M489 I491 L498 L511 Y531	I432-F448 WeakPolarHBondContact CA-O 3.47Å; A433-F448 HydrophobicContact CB-CB 4.4Å; A433-F448 PolarHBondContact N-O 3.14Å; A433-F448 PolarHBondContact O-N 3.42Å; D435-F448 HydrophobicContact CB-CE2 4.41Å; V446-F448 HydrophobicContact CB-CE2 4.5Å; V446-F448 HydrophobicContact CG1-CE2 4.02Å; V446-F448 HydrophobicContact CG1-CZ 4.04Å; F448-V456 HydrophobicContact CB-CG1 4.23Å; F448-V456 HydrophobicContact CD1-CG1 4.39Å; F448-Q457 CarbonylContact C-O 3.59Å; F448-Q457 WeakPolarHBondContact CA-O 3.33Å; F448-K458 HydrophobicContact CD1-CB 4.32Å; F448-K458 HydrophobicContact CD1-CG 4.29Å; F448-K458 HydrophobicContact CE1-CB 4.26Å; F448-K458 HydrophobicContact CE1-CD 3.98Å; F448-K458 HydrophobicContact CE1-CG 3.83Å; F448-K458 HydrophobicContact CZ-CD 4.45Å; F448-K458 HydrophobicContact CZ-CG 4.32Å; F448-M489 HydrophobicContact CB-CE 4.32Å; F448-M489 WeakPolarHBondContact O-CE 3.26Å; F448-I491 HydrophobicContact CD2-CD1 3.96Å; F448-I491 HydrophobicContact CE2-CD1 3.86Å; F448-L498 HydrophobicContact CB-CD1 4.29Å; F448-L498 HydrophobicContact CB-CD2 4.01Å; F448-L498 HydrophobicContact CD1-CD2 3.95Å; F448-L498 HydrophobicContact CG-CD1 4.4Å; F448-L498 HydrophobicContact CG-CD2 4.12Å; F448-L511 HydrophobicContact CE1-CD2 4.04Å; F448-L511 HydrophobicContact CE2-CD2 3.85Å; F448-L511 HydrophobicContact CZ-CB 4.11Å; F448-L511 HydrophobicContact CZ-CD2 3.56Å; F448-L511 HydrophobicContact CZ-CG 4.32Å; F448-Y531 HydrophobicContact CZ-CE2 4.23Å
449	L	98.4	Very high	94.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112.4	-174.6	-58.6	174.4	0	0	0	109.1	I324 V337 I420 Y429 K431 I432 L447 V456 Q457 V459	I324-L449 HydrophobicContact CD1-CD2 4.41Å; V337-L449 HydrophobicContact CG2-CD1 4.42Å; V337-L449 HydrophobicContact CG2-CD2 4Å; I420-L449 HydrophobicContact CD1-CD1 3.94Å; Y429-L449 HydrophobicContact CD1-CB 3.77Å; Y429-L449 HydrophobicContact CD1-CD1 4.42Å; Y429-L449 HydrophobicContact CD2-CD1 4.34Å; Y429-L449 HydrophobicContact CE1-CB 3.73Å; Y429-L449 HydrophobicContact CE1-CD1 3.92Å; Y429-L449 HydrophobicContact CE1-CG 4.46Å; Y429-L449 HydrophobicContact CE2-CD1 3.82Å; Y429-L449 HydrophobicContact CG-CB 4.4Å; K431-L449 CarbonylContact O-C 3.47Å; K431-L449 WeakPolarHBondContact O-CA 3.23Å; I432-L449 HydrophobicContact CB-CD2 4.17Å; I432-L449 HydrophobicContact CD1-CD2 3.78Å; I432-L449 HydrophobicContact CG1-CD2 3.93Å; L447-L449 HydrophobicContact CB-CD2 4.4Å; L447-L449 HydrophobicContact CB-CG 4.37Å; L449-V456 CarbonylContact O-C 3.6Å; L449-V456 WeakPolarHBondContact O-CA 3.37Å; L449-Q457 HydrophobicContact CB-CB 4.42Å; L449-Q457 PolarHBondContact N-O 3.18Å; L449-Q457 PolarHBondContact O-N 3.34Å; L449-V459 HydrophobicContact CD1-CG2 3.95Å
450	G	98.1	Very high	95	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	147.4	173.9	0	0	0	0	0	111.6	Y429 T430 K431 T455	Y429-G450 CarbonylContact C-O 3.58Å; Y429-G450 WeakPolarHBondContact CA-O 3.29Å; T430-G450 PolarHBondContact N-O 3.3Å; T430-G450 PolarHBondContact OG1-O 3.04Å; K431-G450 PolarHBondContact O-N 3.29Å; G450-T455 CarbonylContact C-O 3.52Å; G450-T455 WeakPolarHBondContact CA-O 2.81Å
451	T	97	Very high	95	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	162.4	179.2	71.1	0	0	0	0	113.3	Y427 K428 Y429 R453 G454 T455 I486	Y427-T451 HydrophobicContact CD2-CG2 3.79Å; Y427-T451 HydrophobicContact CE2-CG2 4.34Å; Y427-T451 HydrophobicContact CG-CG2 4.25Å; K428-T451 CarbonylContact O-C 3.51Å; K428-T451 VanDerWaalsContact O-CA 3.26Å; K428-T451 WeakPolarHBondContact O-CA 3.47Å; Y429-T451 HydrophobicContact CD1-CG2 4.1Å; Y429-T451 HydrophobicContact CE1-CG2 4.27Å; T451-R453 PolarHBondContact O-N 3.07Å; T451-R453 PolarHBondContact OG1-N 2.88Å; T451-G454 PolarHBondContact O-N 2.7Å; T451-T455 WeakPolarHBondContact CG2-OG1 3.3Å; T451-T455 PolarHBondContact N-O 2.87Å; T451-T455 PolarHBondContact OG1-N 2.75Å; T451-T455 PolarHBondContact OG1-O 3.4Å; T451-T455 PolarHBondContact OG1-OG1 3.13Å; T451-I486 PolarHBondContact O-N 2.97Å; T451-I486 VanDerWaalsContact O-N 3.12Å
452	D	95.5	Very high	94.8	Very high	40 Å²	40	22 Å²	22	21%	0.214	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	3.6	169	70.7	-19.9	0	0	0	113.9	Y427 K428 T430	Y427-D452 VanDerWaalsContact CA-OD1 3.25Å; Y427-D452 WeakPolarHBondContact CA-OD1 3.44Å; K428-D452 PolarHBondContact N-OD1 3.38Å; K428-D452 PolarHBondContact O-N 3.18Å; T430-D452 HydrophobicContact CG2-CB 3.83Å
453	R	94.6	Very high	94.1	Very high	124 Å²	124	23.6 Å²	23.6	47%	0.468	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	0.5	173.4	-64.3	-75.2	106.9	172.6	1.8	112.9	T451 R483	T451-R453 PolarHBondContact O-N 3.07Å; T451-R453 PolarHBondContact OG1-N 2.88Å; R453-R483 CarbonylContact C-O 3.13Å; R453-R483 CarbonylContact O-C 3.38Å; R453-R483 VanDerWaalsContact O-CA 3.22Å; R453-R483 WeakPolarHBondContact O-CA 3.33Å; R453-R483 VanDerWaalsContact O-CB 3.25Å; R453-R483 WeakPolarHBondContact O-CB 3.3Å
454	G	96	Very high	92.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	79.4	22.9	-177.7	0	0	0	0	0	114.5	T451 V479 A484	T451-G454 PolarHBondContact O-N 2.7Å; G454-V479 VanDerWaalsContact O-CG2 3.32Å; G454-V479 WeakPolarHBondContact O-CG2 2.93Å; G454-V479 PolarHBondContact O-N 3.01Å; G454-V479 VanDerWaalsContact O-N 3.12Å; G454-A484 WeakPolarHBondContact CA-O 3.4Å; G454-A484 PolarHBondContact N-O 2.88Å
455	T	97.3	Very high	91.1	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.037	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	148.7	174.6	62.4	0	0	0	0	112.2	G450 T451 E476 L477 E478 I486	G450-T455 CarbonylContact C-O 3.52Å; G450-T455 WeakPolarHBondContact CA-O 2.81Å; T451-T455 WeakPolarHBondContact CG2-OG1 3.3Å; T451-T455 PolarHBondContact N-O 2.87Å; T451-T455 PolarHBondContact OG1-N 2.75Å; T451-T455 PolarHBondContact OG1-O 3.4Å; T451-T455 PolarHBondContact OG1-OG1 3.13Å; T455-E476 WeakPolarHBondContact CB-OE1 3.48Å; T455-E476 HydrophobicContact CG2-CG 4.34Å; T455-E476 PolarHBondContact OG1-OE1 3.07Å; T455-L477 CarbonylContact C-O 3.56Å; T455-L477 WeakPolarHBondContact CA-O 3.05Å; T455-E478 HydrophobicContact CG2-CG 3.8Å; T455-I486 WeakPolarHBondContact O-CD1 3.42Å
456	V	98.4	Very high	89	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.4	170.1	178	0	0	0	0	109.2	F448 L449 E476 L477 V479 I486 L498 V500	F448-V456 HydrophobicContact CB-CG1 4.23Å; F448-V456 HydrophobicContact CD1-CG1 4.39Å; L449-V456 CarbonylContact O-C 3.6Å; L449-V456 WeakPolarHBondContact O-CA 3.37Å; V456-E476 WeakPolarHBondContact O-CA 3.33Å; V456-L477 PolarHBondContact N-O 3.26Å; V456-L477 PolarHBondContact O-N 3.19Å; V456-V479 HydrophobicContact CB-CG1 4.33Å; V456-V479 HydrophobicContact CG2-CG1 3.82Å; V456-V479 HydrophobicContact CG2-CG2 4.1Å; V456-I486 HydrophobicContact CG2-CD1 3.59Å; V456-L498 HydrophobicContact CG1-CD2 3.85Å; V456-V500 HydrophobicContact CG2-CG1 4.33Å; V456-V500 HydrophobicContact CG2-CG2 4.02Å
457	Q	97.6	Very high	86.8	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.1	172.3	-70.1	-178.8	-8	0	0	110.7	Y427 Y429 F448 L449 V459 I473 E475 E476	Y427-Q457 PolarHBondContact OH-NE2 2.86Å; Y427-Q457 VanDerWaalsContact OH-NE2 3.1Å; Y429-Q457 VanDerWaalsContact CE1-OE1 3.27Å; Y429-Q457 PolarHBondContact OH-OE1 2.81Å; F448-Q457 CarbonylContact C-O 3.59Å; F448-Q457 WeakPolarHBondContact CA-O 3.33Å; L449-Q457 HydrophobicContact CB-CB 4.42Å; L449-Q457 PolarHBondContact N-O 3.18Å; L449-Q457 PolarHBondContact O-N 3.34Å; Q457-V459 HydrophobicContact CB-CG2 4.33Å; Q457-I473 HydrophobicContact CB-CG2 4.35Å; Q457-I473 HydrophobicContact CG-CG2 4.45Å; Q457-E475 CarbonylContact C-O 3.37Å; Q457-E475 WeakPolarHBondContact CA-O 3.36Å; Q457-E476 HydrophobicContact CG-CB 4.11Å; Q457-E476 HydrophobicContact CG-CG 3.88Å; Q457-E476 PolarHBondContact NE2-OE2 2.82Å
458	K	97.8	Very high	84.6	Confident	1 Å²	1	38.5 Å²	38.5	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.7	172.7	-178.1	-178	173.5	-179.3	0	109.1	V446 L447 F448 L474 E475 L511 D529	V446-K458 HydrophobicContact CG1-CG 3.78Å; L447-K458 CarbonylContact O-C 3.5Å; L447-K458 WeakPolarHBondContact O-CA 3.27Å; F448-K458 HydrophobicContact CD1-CB 4.32Å; F448-K458 HydrophobicContact CD1-CG 4.29Å; F448-K458 HydrophobicContact CE1-CB 4.26Å; F448-K458 HydrophobicContact CE1-CD 3.98Å; F448-K458 HydrophobicContact CE1-CG 3.83Å; F448-K458 HydrophobicContact CZ-CD 4.45Å; F448-K458 HydrophobicContact CZ-CG 4.32Å; K458-L474 HydrophobicContact CD-CB 4.44Å; K458-L474 HydrophobicContact CD-CD1 4.39Å; K458-L474 HydrophobicContact CG-CB 4.41Å; K458-L474 HydrophobicContact CG-CD1 4.37Å; K458-L474 PolarHBondContact O-N 2.69Å; K458-E475 HydrophobicContact CB-CB 4.11Å; K458-E475 HydrophobicContact CD-CG 4.3Å; K458-E475 VanDerWaalsContact CD-OE1 3.28Å; K458-E475 WeakPolarHBondContact CD-OE1 3.41Å; K458-E475 PolarHBondContact N-O 2.96Å; K458-E475 IonicContact NZ-OE1 2.69Å; K458-E475 PolarHBondContact NZ-OE1 2.78Å; K458-E475 PolarHBondContact O-N 2.87Å; K458-L511 PolarHBondContact NZ-O 2.79Å; K458-D529 VanDerWaalsContact NZ-CG 3.29Å; K458-D529 IonicContact NZ-OD1 2.79Å; K458-D529 PolarHBondContact NZ-OD1 3.32Å; K458-D529 IonicContact NZ-OD2 2.63Å; K458-D529 PolarHBondContact NZ-OD2 3.27Å
459	V	96.4	Very high	82.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.5	-173.6	-173.2	0	0	0	0	109.8	I420 V446 L447 L449 Q457 E471 L472 I473	I420-V459 HydrophobicContact CD1-CB 4.44Å; I420-V459 HydrophobicContact CD1-CG1 3.93Å; V446-V459 CarbonylContact C-O 3.45Å; V446-V459 WeakPolarHBondContact CA-O 3.46Å; L447-V459 HydrophobicContact CB-CB 4.43Å; L447-V459 PolarHBondContact N-O 3.45Å; L447-V459 PolarHBondContact O-N 2.85Å; L449-V459 HydrophobicContact CD1-CG2 3.95Å; Q457-V459 HydrophobicContact CB-CG2 4.33Å; V459-E471 HydrophobicContact CG1-CB 4.22Å; V459-L472 CarbonylContact C-O 3.52Å; V459-L472 VanDerWaalsContact CA-O 3.28Å; V459-L472 WeakPolarHBondContact CA-O 3.3Å; V459-L472 WeakPolarHBondContact CG1-O 3.3Å; V459-I473 HydrophobicContact CG2-CG1 4.17Å; V459-I473 HydrophobicContact CG2-CG2 4.44Å
460	V	94.3	Very high	81.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.7	170.5	64.3	0	0	0	0	110.1	Y444 V446 L462 L472 L474 P530 V555	Y444-V460 HydrophobicContact CD1-CG2 3.95Å; Y444-V460 HydrophobicContact CG-CG2 4.36Å; V446-V460 HydrophobicContact CG2-CG2 4.49Å; V460-L462 HydrophobicContact CG1-CD2 4.46Å; V460-L472 HydrophobicContact CG1-CB 3.83Å; V460-L472 HydrophobicContact CG1-CD1 4.21Å; V460-L472 HydrophobicContact CG1-CG 4.48Å; V460-L472 PolarHBondContact N-O 3.47Å; V460-L472 PolarHBondContact O-N 3.1Å; V460-L474 HydrophobicContact CB-CD1 4.11Å; V460-L474 HydrophobicContact CB-CG 4.49Å; V460-L474 HydrophobicContact CG1-CD1 4Å; V460-L474 HydrophobicContact CG1-CD2 3.87Å; V460-L474 HydrophobicContact CG1-CG 3.99Å; V460-P530 HydrophobicContact CG2-CG 3.81Å; V460-V555 HydrophobicContact CG2-CG1 4.49Å
461	V	88.3	Confident	81	Confident	22 Å²	22	44 Å²	44	13%	0.133	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.1	174.9	177.5	0	0	0	0	108.1	L419 H445 L447	L419-V461 HydrophobicContact CD1-CG1 3.81Å; L419-V461 HydrophobicContact CD1-CG2 4.16Å; L419-V461 HydrophobicContact CD2-CG2 3.78Å; L419-V461 HydrophobicContact CG-CG2 4.15Å; H445-V461 PolarHBondContact O-N 3.01Å; L447-V461 HydrophobicContact CD1-CG2 3.75Å
462	L	84.4	Confident	80.7	Confident	18 Å²	18	45.5 Å²	45.5	9%	0.094	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.8	179.2	-57.6	171.1	0	0	0	110.1	Y444 V460 T464 G470 L472 V555	Y444-L462 HydrophobicContact CE1-CD2 4.13Å; V460-L462 HydrophobicContact CG1-CD2 4.46Å; L462-T464 PolarHBondContact O-N 2.84Å; L462-T464 VanDerWaalsContact O-N 3.14Å; L462-T464 PolarHBondContact O-OG1 3.3Å; L462-G470 WeakPolarHBondContact CA-O 3.26Å; L462-G470 VanDerWaalsContact CB-O 3.3Å; L462-G470 WeakPolarHBondContact CB-O 3.4Å; L462-G470 PolarHBondContact N-O 3.17Å; L462-L472 HydrophobicContact CD1-CD1 3.75Å; L462-L472 HydrophobicContact CD1-CG 3.89Å; L462-L472 HydrophobicContact CD2-CD1 4.35Å; L462-L472 HydrophobicContact CG-CD1 4.31Å; L462-L472 HydrophobicContact CG-CG 4.48Å; L462-V555 HydrophobicContact CD2-CG1 4.17Å
463	P	72.5	Confident	80.6	Confident	65 Å²	65	43.7 Å²	43.7	42%	0.422	25%	0.249	S	C	.	.			trans	-71.3	109.4	172.9	26.7	-29	0	0	0	109.4	Y444 R556	Y444-P463 HydrophobicContact CE1-CG 4.23Å; P463-R556 PolarHBondContact O-NE 3.02Å; P463-R556 PolarHBondContact O-NH2 3.28Å
464	T	63.2	Low	80.6	Confident	67 Å²	67	38 Å²	38	41%	0.411	23%	0.228	S	C	.	.			trans	-100.4	143.5	175.1	-25.4	0	0	0	0	110.5	L462 N466 V468 S469 G470	L462-T464 PolarHBondContact O-N 2.84Å; L462-T464 VanDerWaalsContact O-N 3.14Å; L462-T464 PolarHBondContact O-OG1 3.3Å; T464-N466 PolarHBondContact O-N 3.43Å; T464-V468 WeakPolarHBondContact CB-O 3.5Å; T464-V468 PolarHBondContact OG1-O 3.45Å; T464-S469 VanDerWaalsContact OG1-CA 3.26Å; T464-S469 WeakPolarHBondContact OG1-CA 3.42Å; T464-G470 PolarHBondContact OG1-N 3.34Å
465	N	56.4	Low	80.5	Confident	146 Å²	146	38 Å²	38	78%	0.781	23%	0.228	S	C	*	.	S	Bend	trans	-73.9	-18.5	174.7	-65	-5.7	0	0	0	112.4	R556	N465-R556 PolarHBondContact OD1-NH2 3.32Å
466	N	50.7	Low	80.5	Confident	125 Å²	125	39 Å²	39	67%	0.668	23%	0.233	S	C	*	.	S	Bend	trans	-89.9	157.4	171.7	-72.7	0.4	0	0	0	109.8	T464 V468	T464-N466 PolarHBondContact O-N 3.43Å; N466-V468 PolarHBondContact O-N 3.22Å
467	S	49.9	Very low	80.4	Confident	84 Å²	84	39.1 Å²	39.1	59%	0.587	23%	0.233	S	C	*	.	S	Bend	trans	-61.9	17.3	176	58.5	0	0	0	0	115	R417	R417-S467 PolarHBondContact NE-O 2.84Å; R417-S467 PolarHBondContact NH1-O 2.78Å; R417-S467 VanDerWaalsContact NH1-O 3.1Å; R417-S467 PolarHBondContact NH2-O 2.73Å
468	V	51	Low	80.4	Confident	103 Å²	103	39.9 Å²	39.9	62%	0.624	24%	0.237	S	C	*	.	S	Bend	trans	-124.1	101.4	172.9	-175.9	0	0	0	0	106.9	T464 N466 G470	T464-V468 WeakPolarHBondContact CB-O 3.5Å; T464-V468 PolarHBondContact OG1-O 3.45Å; N466-V468 PolarHBondContact O-N 3.22Å; V468-G470 PolarHBondContact O-N 3.05Å
469	S	59.4	Low	80.4	Confident	45 Å²	45	39.9 Å²	39.9	32%	0.315	24%	0.237	S	C	.	.			trans	-60.2	120.8	169.5	-60	0	0	0	0	108.1	T464	T464-S469 VanDerWaalsContact OG1-CA 3.26Å; T464-S469 WeakPolarHBondContact OG1-CA 3.42Å
470	G	73.8	Confident	80.3	Confident	27 Å²	27	40 Å²	40	28%	0.278	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.5	173.4	0	0	0	0	0	109	L462 T464 V468	L462-G470 WeakPolarHBondContact CA-O 3.26Å; L462-G470 VanDerWaalsContact CB-O 3.3Å; L462-G470 WeakPolarHBondContact CB-O 3.4Å; L462-G470 PolarHBondContact N-O 3.17Å; T464-G470 PolarHBondContact OG1-N 3.34Å; V468-G470 PolarHBondContact O-N 3.05Å
471	E	86.2	Confident	80.1	Confident	49 Å²	49	47 Å²	47	23%	0.229	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.8	173.8	57.2	172.4	-147.2	0	0	110.2	I420 R422 V459	I420-E471 VanDerWaalsContact CG1-OE2 3.24Å; I420-E471 WeakPolarHBondContact CG1-OE2 3.33Å; I420-E471 WeakPolarHBondContact CG2-OE2 3.42Å; R422-E471 IonicContact CZ-OE1 3.54Å; R422-E471 IonicContact NH1-OE1 3.59Å; R422-E471 PolarHBondContact NH1-OE1 2.89Å; R422-E471 IonicContact NH1-OE2 2.7Å; R422-E471 IonicContact NH2-OE1 2.71Å; R422-E471 PolarHBondContact NH2-OE1 3.06Å; R422-E471 IonicContact NH2-OE2 3.67Å; V459-E471 HydrophobicContact CG1-CB 4.22Å
472	L	90.4	Very high	80.2	Confident	30 Å²	30	51.1 Å²	51.1	16%	0.157	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.2	173.6	-62.8	173.4	0	0	0	110	V459 V460 L462 L474 R528	V459-L472 CarbonylContact C-O 3.52Å; V459-L472 VanDerWaalsContact CA-O 3.28Å; V459-L472 WeakPolarHBondContact CA-O 3.3Å; V459-L472 WeakPolarHBondContact CG1-O 3.3Å; V460-L472 HydrophobicContact CG1-CB 3.83Å; V460-L472 HydrophobicContact CG1-CD1 4.21Å; V460-L472 HydrophobicContact CG1-CG 4.48Å; V460-L472 PolarHBondContact N-O 3.47Å; V460-L472 PolarHBondContact O-N 3.1Å; L462-L472 HydrophobicContact CD1-CD1 3.75Å; L462-L472 HydrophobicContact CD1-CG 3.89Å; L462-L472 HydrophobicContact CD2-CD1 4.35Å; L462-L472 HydrophobicContact CG-CD1 4.31Å; L462-L472 HydrophobicContact CG-CG 4.48Å; L472-L474 HydrophobicContact CB-CD2 4.29Å; L472-L474 PolarHBondContact O-N 2.81Å; L472-R528 HydrophobicContact CD1-CB 4.31Å; L472-R528 VanDerWaalsContact CD1-CZ 3.42Å
473	I	93.6	Very high	80.5	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	107.6	169.1	-47.5	-174.6	0	0	0	107.7	P25 A27 R28 Q457 V459	P25-I473 HydrophobicContact CB-CD1 4.22Å; P25-I473 HydrophobicContact CB-CG1 4.38Å; P25-I473 HydrophobicContact CG-CD1 4.22Å; P25-I473 VanDerWaalsContact O-CD1 3.26Å; P25-I473 WeakPolarHBondContact O-CD1 3.06Å; A27-I473 WeakPolarHBondContact CA-O 3.28Å; A27-I473 HydrophobicContact CB-CB 4.37Å; A27-I473 HydrophobicContact CB-CG2 3.61Å; R28-I473 PolarHBondContact N-O 2.84Å; Q457-I473 HydrophobicContact CB-CG2 4.35Å; Q457-I473 HydrophobicContact CG-CG2 4.45Å; V459-I473 HydrophobicContact CG2-CG1 4.17Å; V459-I473 HydrophobicContact CG2-CG2 4.44Å
474	L	94.5	Very high	81.6	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-43.5	-177.6	-58.9	-179.1	0	0	0	110.9	R28 V29 K458 V460 L472 A527 D529	R28-L474 WeakPolarHBondContact CB-O 3.44Å; V29-L474 PolarHBondContact N-O 3.3Å; K458-L474 HydrophobicContact CD-CB 4.44Å; K458-L474 HydrophobicContact CD-CD1 4.39Å; K458-L474 HydrophobicContact CG-CB 4.41Å; K458-L474 HydrophobicContact CG-CD1 4.37Å; K458-L474 PolarHBondContact O-N 2.69Å; V460-L474 HydrophobicContact CB-CD1 4.11Å; V460-L474 HydrophobicContact CB-CG 4.49Å; V460-L474 HydrophobicContact CG1-CD1 4Å; V460-L474 HydrophobicContact CG1-CD2 3.87Å; V460-L474 HydrophobicContact CG1-CG 3.99Å; L472-L474 HydrophobicContact CB-CD2 4.29Å; L472-L474 PolarHBondContact O-N 2.81Å; L474-A527 WeakPolarHBondContact CD2-O 3.28Å; L474-D529 HydrophobicContact CD1-CB 4.05Å
475	E	95.1	Very high	83.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	146	-172.5	-53.3	177.4	-125.8	0	0	110.1	V29 Q457 K458 L477 R513 Y517	V29-E475 CarbonylContact O-C 3.53Å; V29-E475 VanDerWaalsContact O-CA 3.27Å; V29-E475 WeakPolarHBondContact O-CA 3.47Å; Q457-E475 CarbonylContact C-O 3.37Å; Q457-E475 WeakPolarHBondContact CA-O 3.36Å; K458-E475 HydrophobicContact CB-CB 4.11Å; K458-E475 HydrophobicContact CD-CG 4.3Å; K458-E475 VanDerWaalsContact CD-OE1 3.28Å; K458-E475 WeakPolarHBondContact CD-OE1 3.41Å; K458-E475 PolarHBondContact N-O 2.96Å; K458-E475 IonicContact NZ-OE1 2.69Å; K458-E475 PolarHBondContact NZ-OE1 2.78Å; K458-E475 PolarHBondContact O-N 2.87Å; E475-L477 HydrophobicContact CB-CD2 4.18Å; E475-R513 IonicContact OE1-CZ 3.93Å; E475-R513 IonicContact OE1-NH2 3.61Å; E475-R513 PolarHBondContact OE1-NH2 2.81Å; E475-R513 VanDerWaalsContact OE1-NH2 3.13Å; E475-R513 IonicContact OE2-CZ 3.27Å; E475-R513 IonicContact OE2-NE 3.31Å; E475-R513 PolarHBondContact OE2-NE 2.78Å; E475-R513 IonicContact OE2-NH2 2.62Å; E475-R513 PolarHBondContact OE2-NH2 2.92Å; E475-Y517 HydrophobicContact CG-CE1 4.34Å; E475-Y517 WeakPolarHBondContact CG-OH 3.41Å; E475-Y517 PolarHBondContact OE1-OH 3.09Å
476	E	96.1	Very high	85.1	Confident	29 Å²	29	47.6 Å²	47.6	14%	0.136	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.9	166.1	180	162.8	177.5	0	0	109.3	A27 V29 Y30 L31 T455 V456 Q457	A27-E476 HydrophobicContact CB-CB 3.62Å; V29-E476 PolarHBondContact O-N 3.09Å; Y30-E476 WeakPolarHBondContact CA-O 3.33Å; Y30-E476 HydrophobicContact CD2-CB 3.92Å; Y30-E476 HydrophobicContact CD2-CG 3.88Å; Y30-E476 HydrophobicContact CE2-CB 4.46Å; Y30-E476 HydrophobicContact CE2-CG 3.91Å; L31-E476 PolarHBondContact N-O 2.84Å; T455-E476 WeakPolarHBondContact CB-OE1 3.48Å; T455-E476 HydrophobicContact CG2-CG 4.34Å; T455-E476 PolarHBondContact OG1-OE1 3.07Å; V456-E476 WeakPolarHBondContact O-CA 3.33Å; Q457-E476 HydrophobicContact CG-CB 4.11Å; Q457-E476 HydrophobicContact CG-CG 3.88Å; Q457-E476 PolarHBondContact NE2-OE2 2.82Å
477	L	97.3	Very high	87.3	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.5	-167.8	-50.3	179.6	0	0	0	110	L31 L36 T455 V456 E475 V479 V509	L31-L477 HydrophobicContact CB-CD2 4.01Å; L31-L477 HydrophobicContact CD1-CD2 3.87Å; L31-L477 HydrophobicContact CG-CD2 4.13Å; L36-L477 HydrophobicContact CD1-CD1 4.39Å; L36-L477 HydrophobicContact CD1-CD2 4.28Å; L36-L477 HydrophobicContact CD2-CB 4.36Å; T455-L477 CarbonylContact C-O 3.56Å; T455-L477 WeakPolarHBondContact CA-O 3.05Å; V456-L477 PolarHBondContact N-O 3.26Å; V456-L477 PolarHBondContact O-N 3.19Å; E475-L477 HydrophobicContact CB-CD2 4.18Å; L477-V479 HydrophobicContact CB-CG1 4.22Å; L477-V479 PolarHBondContact O-N 2.99Å; L477-V509 HydrophobicContact CD1-CG1 3.76Å
478	E	97.1	Very high	89.6	Confident	16 Å²	16	39.8 Å²	39.8	8%	0.075	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	100	167	-74	-175.7	164.6	0	0	109.4	Y30 L31 T32 F33 T455 R483	Y30-E478 HydrophobicContact CE1-CG 4.36Å; Y30-E478 VanDerWaalsContact OH-CG 3.27Å; Y30-E478 WeakPolarHBondContact OH-CG 3.21Å; Y30-E478 PolarHBondContact OH-OE1 3.41Å; L31-E478 PolarHBondContact O-N 2.72Å; T32-E478 WeakPolarHBondContact CA-OE2 3.04Å; F33-E478 VanDerWaalsContact CA-O 3.31Å; F33-E478 WeakPolarHBondContact CA-O 3.19Å; F33-E478 HydrophobicContact CB-CB 4.48Å; F33-E478 PolarHBondContact N-OE2 3.49Å; T455-E478 HydrophobicContact CG2-CG 3.8Å; E478-R483 IonicContact OE1-CZ 2.82Å; E478-R483 IonicContact OE1-NE 3.77Å; E478-R483 PolarHBondContact OE1-NE 2.91Å; E478-R483 IonicContact OE1-NH2 3.57Å; E478-R483 PolarHBondContact OE1-NH2 3.14Å
479	V	96.9	Very high	91.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.183	C	C	.	.			trans	-87	-10.2	-174.4	-64.5	0	0	0	0	113.4	L36 G454 V456 L477 I486 V500 S507 V509	L36-V479 HydrophobicContact CD2-CG1 4.31Å; G454-V479 VanDerWaalsContact O-CG2 3.32Å; G454-V479 WeakPolarHBondContact O-CG2 2.93Å; G454-V479 PolarHBondContact O-N 3.01Å; G454-V479 VanDerWaalsContact O-N 3.12Å; V456-V479 HydrophobicContact CB-CG1 4.33Å; V456-V479 HydrophobicContact CG2-CG1 3.82Å; V456-V479 HydrophobicContact CG2-CG2 4.1Å; L477-V479 HydrophobicContact CB-CG1 4.22Å; L477-V479 PolarHBondContact O-N 2.99Å; V479-I486 HydrophobicContact CG2-CD1 4.08Å; V479-I486 HydrophobicContact CG2-CG1 4.4Å; V479-V500 HydrophobicContact CG2-CG1 4.09Å; V479-S507 PolarHBondContact O-OG 3.24Å; V479-V509 HydrophobicContact CG1-CG2 3.9Å
480	F	94.8	Very high	93.6	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	19%	0.185	C	C	.	.	S	Bend	trans	-133.1	135.3	176.4	-58.9	-65.2	0	0	0	111.3	Y44 N482 R483 A484 I486 V500 S502 S507	Y44-F480 HydrophobicContact CD2-CD1 4.39Å; Y44-F480 AromaticContact CE2-CD1 3.81Å; Y44-F480 HydrophobicContact CE2-CD1 3.81Å; Y44-F480 HydrophobicContact CE2-CE1 4.02Å; F480-N482 VanDerWaalsContact C-N 3.31Å; F480-N482 PolarHBondContact O-N 3.41Å; F480-R483 PolarHBondContact O-N 3.46Å; F480-A484 HydrophobicContact CB-CB 4.49Å; F480-I486 HydrophobicContact CE2-CG1 4.04Å; F480-V500 HydrophobicContact CE2-CG1 4.17Å; F480-V500 HydrophobicContact CZ-CG1 4.3Å; F480-S502 WeakPolarHBondContact CE1-OG 3.48Å; F480-S502 VanDerWaalsContact CE2-CB 3.41Å; F480-S502 WeakPolarHBondContact CE2-OG 3.3Å; F480-S502 VanDerWaalsContact CZ-OG 3.3Å; F480-S502 WeakPolarHBondContact CZ-OG 3.05Å; F480-S507 VanDerWaalsContact CE1-OG 3.25Å; F480-S507 WeakPolarHBondContact CE1-OG 3.12Å
481	K	90.9	Very high	94.7	Very high	149 Å²	149	37 Å²	37	65%	0.648	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-39.9	178.3	-173.1	172.6	-177.9	170.5	0	113.7	F33 R483	F33-K481 HydrophobicContact CD1-CB 3.87Å; F33-K481 HydrophobicContact CD1-CG 4.35Å; F33-K481 HydrophobicContact CE1-CB 4.07Å; F33-K481 HydrophobicContact CG-CB 4.12Å; K481-R483 VanDerWaalsContact C-N 3.34Å; K481-R483 PolarHBondContact O-N 3.33Å
482	N	90.5	Very high	95.2	Very high	108 Å²	108	34.7 Å²	34.7	58%	0.578	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	14.6	-174.5	-65.2	-21.7	0	0	0	113.8	F480 A484 E504	F480-N482 VanDerWaalsContact C-N 3.31Å; F480-N482 PolarHBondContact O-N 3.41Å; N482-A484 PolarHBondContact O-N 3.44Å; N482-A484 VanDerWaalsContact O-N 3.15Å; N482-E504 HydrophobicContact CB-CG 4.47Å; N482-E504 PolarHBondContact ND2-OE2 3.23Å
483	R	90.6	Very high	95.4	Very high	149 Å²	149	35.5 Å²	35.5	56%	0.562	18%	0.175	S	C	*	.			trans	51.6	37.1	-179.1	-65.7	-175.7	174.7	179.4	-3	113.9	R453 E478 F480 K481	R453-R483 CarbonylContact C-O 3.13Å; R453-R483 CarbonylContact O-C 3.38Å; R453-R483 VanDerWaalsContact O-CA 3.22Å; R453-R483 WeakPolarHBondContact O-CA 3.33Å; R453-R483 VanDerWaalsContact O-CB 3.25Å; R453-R483 WeakPolarHBondContact O-CB 3.3Å; E478-R483 IonicContact OE1-CZ 2.82Å; E478-R483 IonicContact OE1-NE 3.77Å; E478-R483 PolarHBondContact OE1-NE 2.91Å; E478-R483 IonicContact OE1-NH2 3.57Å; E478-R483 PolarHBondContact OE1-NH2 3.14Å; F480-R483 PolarHBondContact O-N 3.46Å; K481-R483 VanDerWaalsContact C-N 3.34Å; K481-R483 PolarHBondContact O-N 3.33Å
484	A	94.8	Very high	95.3	Very high	5 Å²	5	42 Å²	42	4%	0.041	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-69.9	137.5	-179.1	0	0	0	0	0	111.6	G454 F480 N482 I486 N503 E504	G454-A484 WeakPolarHBondContact CA-O 3.4Å; G454-A484 PolarHBondContact N-O 2.88Å; F480-A484 HydrophobicContact CB-CB 4.49Å; N482-A484 PolarHBondContact O-N 3.44Å; N482-A484 VanDerWaalsContact O-N 3.15Å; A484-I486 PolarHBondContact O-N 3.31Å; A484-N503 VanDerWaalsContact CB-OD1 3.26Å; A484-N503 WeakPolarHBondContact CB-OD1 3.48Å; A484-E504 HydrophobicContact CB-CG 3.53Å
485	P	96.5	Very high	95.2	Very high	64 Å²	64	44 Å²	44	42%	0.416	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-55.8	136.1	178.3	-24.2	32.6	0	0	0	112.4	T487 S502	P485-T487 PolarHBondContact O-N 3.29Å; P485-S502 VanDerWaalsContact O-CB 3.29Å; P485-S502 WeakPolarHBondContact O-CB 3.44Å
486	I	98.1	Very high	95.2	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-72.1	121	174.5	-68.9	168.6	0	0	0	108.9	T430 K431 T451 T455 V456 V479 F480 A484 V500	T430-I486 WeakPolarHBondContact CB-O 3.11Å; T430-I486 PolarHBondContact OG1-O 3Å; K431-I486 HydrophobicContact CB-CG2 4.09Å; K431-I486 HydrophobicContact CG-CG2 3.98Å; T451-I486 PolarHBondContact O-N 2.97Å; T451-I486 VanDerWaalsContact O-N 3.12Å; T455-I486 WeakPolarHBondContact O-CD1 3.42Å; V456-I486 HydrophobicContact CG2-CD1 3.59Å; V479-I486 HydrophobicContact CG2-CD1 4.08Å; V479-I486 HydrophobicContact CG2-CG1 4.4Å; F480-I486 HydrophobicContact CE2-CG1 4.04Å; A484-I486 PolarHBondContact O-N 3.31Å; I486-V500 HydrophobicContact CB-CG1 4.21Å; I486-V500 HydrophobicContact CD1-CG1 3.73Å; I486-V500 HydrophobicContact CG1-CG1 3.64Å; I486-V500 HydrophobicContact CG2-CG1 3.57Å
487	T	96.1	Very high	95.3	Very high	20 Å²	20	46 Å²	46	12%	0.123	22%	0.221	C	C	.	.			trans	-100.1	-33.9	-175.9	55.6	0	0	0	0	113	Y54 K431 P485 S501 S502	Y54-T487 PolarHBondContact O-OG1 3.35Å; K431-T487 WeakPolarHBondContact CE-O 3.35Å; P485-T487 PolarHBondContact O-N 3.29Å; T487-S501 PolarHBondContact N-O 2.96Å; T487-S501 PolarHBondContact OG1-O 2.52Å; T487-S501 VanDerWaalsContact OG1-O 3.14Å; T487-S502 WeakPolarHBondContact OG1-CA 3.22Å
488	T	97.1	Very high	95.3	Very high	24 Å²	24	45.9 Å²	45.9	15%	0.147	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	148.9	177.8	-60.8	0	0	0	0	110.4	R55 L57 S501	R55-T488 PolarHBondContact O-OG1 3.1Å; L57-T488 HydrophobicContact CB-CG2 3.89Å; L57-T488 HydrophobicContact CD1-CG2 3.97Å; L57-T488 HydrophobicContact CG-CG2 3.89Å; T488-S501 WeakPolarHBondContact CB-OG 3.05Å; T488-S501 PolarHBondContact O-N 3.24Å
489	M	97.8	Very high	95.4	Very high	11 Å²	11	45.1 Å²	45.1	5%	0.054	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	137.6	178.2	-167.9	159.5	64.9	0	0	110.4	K431 I432 A433 F448 L498 Y499 V500	K431-M489 HydrophobicContact CB-CB 3.87Å; K431-M489 HydrophobicContact CB-CE 4.02Å; K431-M489 HydrophobicContact CG-CB 4.46Å; K431-M489 WeakPolarHBondContact O-CE 3.49Å; I432-M489 VanDerWaalsContact C-CE 3.42Å; A433-M489 HydrophobicContact CB-CE 3.91Å; A433-M489 HydrophobicContact CB-CG 4.34Å; A433-M489 VanDerWaalsContact N-CE 3.33Å; F448-M489 HydrophobicContact CB-CE 4.32Å; F448-M489 WeakPolarHBondContact O-CE 3.26Å; M489-L498 HydrophobicContact CG-CD1 3.67Å; M489-L498 HydrophobicContact CG-CD2 4.43Å; M489-L498 HydrophobicContact CG-CG 4.1Å; M489-L498 HydrophobicContact SD-CD1 3.98Å; M489-L498 HydrophobicContact SD-CD2 3.89Å; M489-L498 HydrophobicContact SD-CG 4.21Å; M489-Y499 CarbonylContact C-O 3.48Å; M489-Y499 VanDerWaalsContact CA-O 3.31Å; M489-Y499 WeakPolarHBondContact CA-O 3.25Å; M489-V500 HydrophobicContact CG-CG2 4.21Å; M489-V500 HydrophobicContact SD-CG2 4.2Å
490	K	97.5	Very high	95.5	Very high	81 Å²	81	45 Å²	45	35%	0.352	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.9	175	-67.4	-65.2	-180	-174.4	0	109.8	L57 M59 Y499	L57-K490 HydrophobicContact CB-CG 3.92Å; M59-K490 HydrophobicContact CE-CB 3.88Å; K490-Y499 PolarHBondContact N-O 2.77Å; K490-Y499 PolarHBondContact O-N 3.28Å
491	I	97.5	Very high	95.6	Very high	24 Å²	24	45 Å²	45	12%	0.123	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.1	-179.1	-174.3	164.8	0	0	0	109.8	F309 A433 D435 F448 L498 L511	F309-I491 HydrophobicContact CE2-CG2 3.79Å; F309-I491 HydrophobicContact CZ-CG2 3.85Å; A433-I491 HydrophobicContact CB-CB 3.97Å; A433-I491 HydrophobicContact CB-CG2 3.91Å; D435-I491 HydrophobicContact CB-CD1 3.83Å; F448-I491 HydrophobicContact CD2-CD1 3.96Å; F448-I491 HydrophobicContact CE2-CD1 3.86Å; I491-L498 HydrophobicContact CB-CD1 3.99Å; I491-L498 HydrophobicContact CG1-CD1 4.39Å; I491-L511 HydrophobicContact CD1-CD1 3.96Å; I491-L511 HydrophobicContact CD1-CD2 3.75Å; I491-L511 HydrophobicContact CG1-CD1 4.17Å; I491-L511 HydrophobicContact CG1-CD2 4.01Å
492	S	96.2	Very high	95.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	102.8	165.1	174.7	0	0	0	0	108.6	E61 K494 K495 Q496 Q497	E61-S492 VanDerWaalsContact OE1-CB 3.28Å; E61-S492 WeakPolarHBondContact OE1-CB 3.38Å; E61-S492 PolarHBondContact OE1-OG 2.89Å; S492-K494 PolarHBondContact O-N 3.46Å; S492-K495 PolarHBondContact O-N 3.09Å; S492-K495 WeakPolarHBondContact OG-CB 3.47Å; S492-K495 WeakPolarHBondContact OG-CG 3.4Å; S492-K495 PolarHBondContact OG-N 3.07Å; S492-Q496 WeakPolarHBondContact O-CA 3.24Å; S492-Q496 PolarHBondContact O-N 3.23Å; S492-Q497 PolarHBondContact N-O 2.59Å; S492-Q497 PolarHBondContact O-N 2.95Å; S492-Q497 VanDerWaalsContact O-N 3.14Å
493	S	93.6	Very high	96.1	Very high	47 Å²	47	35.1 Å²	35.1	33%	0.329	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.3	171.9	-54	0	0	0	0	111.2	D435 Q496	D435-S493 VanDerWaalsContact CG-OG 3.28Å; D435-S493 WeakPolarHBondContact OD1-CB 3.49Å; D435-S493 PolarHBondContact OD1-OG 3.15Å; S493-Q496 PolarHBondContact O-NE2 3.49Å
494	K	92.3	Very high	96.3	Very high	139 Å²	139	29.5 Å²	29.5	60%	0.604	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-46.7	175.7	-177	-178.8	176.4	-172.3	0	111.7	S492	S492-K494 PolarHBondContact O-N 3.46Å
495	K	93.5	Very high	96.3	Very high	47 Å²	47	29.2 Å²	29.2	20%	0.204	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-11.9	179	-58	-64.4	-171.1	160	0	113.2	D64 I79 N80 S492 Q497	D64-K495 WeakPolarHBondContact OD1-CE 3.47Å; D64-K495 IonicContact OD1-NZ 2.93Å; D64-K495 PolarHBondContact OD1-NZ 2.9Å; D64-K495 IonicContact OD2-NZ 3.34Å; D64-K495 PolarHBondContact OD2-NZ 2.82Å; I79-K495 HydrophobicContact CD1-CG 4.26Å; I79-K495 HydrophobicContact CG1-CG 4.38Å; I79-K495 HydrophobicContact CG2-CD 4.41Å; I79-K495 HydrophobicContact CG2-CG 4.31Å; N80-K495 WeakPolarHBondContact OD1-CD 3.23Å; N80-K495 WeakPolarHBondContact OD1-CE 3.13Å; N80-K495 PolarHBondContact OD1-NZ 3.1Å; S492-K495 PolarHBondContact O-N 3.09Å; S492-K495 WeakPolarHBondContact OG-CB 3.47Å; S492-K495 WeakPolarHBondContact OG-CG 3.4Å; S492-K495 PolarHBondContact OG-N 3.07Å; K495-Q497 HydrophobicContact CB-CG 4.19Å; K495-Q497 WeakPolarHBondContact O-CG 3.28Å
496	Q	94.9	Very high	96.4	Very high	31 Å²	31	26.2 Å²	26.2	15%	0.145	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	44.4	-176.4	-63.9	-73.6	-49.5	0	0	112.5	S492 S493 L511 R541	S492-Q496 WeakPolarHBondContact O-CA 3.24Å; S492-Q496 PolarHBondContact O-N 3.23Å; S493-Q496 PolarHBondContact O-NE2 3.49Å; Q496-L511 PolarHBondContact O-N 3.31Å; Q496-L511 VanDerWaalsContact O-N 3.08Å; Q496-R541 VanDerWaalsContact CD-NH1 3.27Å; Q496-R541 VanDerWaalsContact OE1-CZ 3.27Å
497	Q	97.1	Very high	96.4	Very high	38 Å²	38	26.2 Å²	26.2	18%	0.178	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.5	-177.4	-58.9	-63.6	-23.9	0	0	111.5	S492 K495 Y499 Q508 V509 S510	S492-Q497 PolarHBondContact N-O 2.59Å; S492-Q497 PolarHBondContact O-N 2.95Å; S492-Q497 VanDerWaalsContact O-N 3.14Å; K495-Q497 HydrophobicContact CB-CG 4.19Å; K495-Q497 WeakPolarHBondContact O-CG 3.28Å; Q497-Y499 HydrophobicContact CB-CE2 3.75Å; Q497-Y499 VanDerWaalsContact CB-OH 3.23Å; Q497-Y499 WeakPolarHBondContact CB-OH 3.4Å; Q497-Q508 HydrophobicContact CB-CG 4.45Å; Q497-V509 CarbonylContact C-O 3.49Å; Q497-V509 PolarHBondContact OE1-O 3.02Å; Q497-S510 VanDerWaalsContact OE1-CA 3.31Å
498	L	98.4	Very high	96.5	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.3	170.7	-173.2	73	0	0	0	108.3	A433 F448 V456 M489 I491 V500 Q508 V509 L511	A433-L498 HydrophobicContact CB-CD1 3.93Å; F448-L498 HydrophobicContact CB-CD1 4.29Å; F448-L498 HydrophobicContact CB-CD2 4.01Å; F448-L498 HydrophobicContact CD1-CD2 3.95Å; F448-L498 HydrophobicContact CG-CD1 4.4Å; F448-L498 HydrophobicContact CG-CD2 4.12Å; V456-L498 HydrophobicContact CG1-CD2 3.85Å; M489-L498 HydrophobicContact CG-CD1 3.67Å; M489-L498 HydrophobicContact CG-CD2 4.43Å; M489-L498 HydrophobicContact CG-CG 4.1Å; M489-L498 HydrophobicContact SD-CD1 3.98Å; M489-L498 HydrophobicContact SD-CD2 3.89Å; M489-L498 HydrophobicContact SD-CG 4.21Å; I491-L498 HydrophobicContact CB-CD1 3.99Å; I491-L498 HydrophobicContact CG1-CD1 4.39Å; L498-V500 HydrophobicContact CD2-CG2 3.86Å; L498-V500 HydrophobicContact CG-CG2 3.92Å; L498-Q508 CarbonylContact O-C 3.53Å; L498-Q508 WeakPolarHBondContact O-CA 3.42Å; L498-V509 WeakPolarHBondContact CB-O 3.23Å; L498-V509 PolarHBondContact N-O 3.37Å; L498-V509 PolarHBondContact O-N 2.97Å; L498-L511 HydrophobicContact CB-CD2 3.9Å
499	Y	98.5	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.2	176.9	-53.9	-92.6	0	0	0	108.1	M59 I66 I79 I82 M489 K490 Q497 S507 Q508	M59-Y499 HydrophobicContact CE-CD2 3.24Å; M59-Y499 HydrophobicContact CE-CE2 3.41Å; M59-Y499 VanDerWaalsContact CE-CE2 3.41Å; M59-Y499 HydrophobicContact CE-CG 4.29Å; I66-Y499 HydrophobicContact CD1-CD1 4.04Å; I66-Y499 HydrophobicContact CD1-CD2 4.28Å; I66-Y499 HydrophobicContact CD1-CG 3.75Å; I79-Y499 HydrophobicContact CD1-CE2 4.42Å; I79-Y499 HydrophobicContact CG1-CE1 4.14Å; I79-Y499 HydrophobicContact CG1-CE2 3.96Å; I79-Y499 VanDerWaalsContact CG1-CZ 3.46Å; I79-Y499 WeakPolarHBondContact CG1-OH 3.29Å; I79-Y499 PolarHBondContact O-OH 2.74Å; I82-Y499 HydrophobicContact CG2-CD1 4.02Å; I82-Y499 HydrophobicContact CG2-CE1 3.93Å; M489-Y499 CarbonylContact C-O 3.48Å; M489-Y499 VanDerWaalsContact CA-O 3.31Å; M489-Y499 WeakPolarHBondContact CA-O 3.25Å; K490-Y499 PolarHBondContact N-O 2.77Å; K490-Y499 PolarHBondContact O-N 3.28Å; Q497-Y499 HydrophobicContact CB-CE2 3.75Å; Q497-Y499 VanDerWaalsContact CB-OH 3.23Å; Q497-Y499 WeakPolarHBondContact CB-OH 3.4Å; Y499-S507 WeakPolarHBondContact CA-O 3.38Å; Y499-Q508 HydrophobicContact CD1-CB 4.13Å; Y499-Q508 HydrophobicContact CD1-CG 4.21Å; Y499-Q508 HydrophobicContact CE1-CB 4.12Å; Y499-Q508 HydrophobicContact CE1-CG 3.74Å
500	V	98.4	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.6	-173.2	-169.1	0	0	0	0	108	V456 V479 F480 I486 M489 L498 V506 S507	V456-V500 HydrophobicContact CG2-CG1 4.33Å; V456-V500 HydrophobicContact CG2-CG2 4.02Å; V479-V500 HydrophobicContact CG2-CG1 4.09Å; F480-V500 HydrophobicContact CE2-CG1 4.17Å; F480-V500 HydrophobicContact CZ-CG1 4.3Å; I486-V500 HydrophobicContact CB-CG1 4.21Å; I486-V500 HydrophobicContact CD1-CG1 3.73Å; I486-V500 HydrophobicContact CG1-CG1 3.64Å; I486-V500 HydrophobicContact CG2-CG1 3.57Å; M489-V500 HydrophobicContact CG-CG2 4.21Å; M489-V500 HydrophobicContact SD-CG2 4.2Å; L498-V500 HydrophobicContact CD2-CG2 3.86Å; L498-V500 HydrophobicContact CG-CG2 3.92Å; V500-V506 CarbonylContact O-C 3.56Å; V500-V506 WeakPolarHBondContact O-CA 3.4Å; V500-S507 PolarHBondContact N-O 3.28Å; V500-S507 PolarHBondContact O-N 3.36Å
501	S	97.7	Very high	96.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	155.2	177.4	73.4	0	0	0	0	112.6	Y54 T487 T488 G505	Y54-S501 VanDerWaalsContact O-CB 3.23Å; Y54-S501 WeakPolarHBondContact O-CB 3.27Å; Y54-S501 PolarHBondContact O-OG 3.45Å; T487-S501 PolarHBondContact N-O 2.96Å; T487-S501 PolarHBondContact OG1-O 2.52Å; T487-S501 VanDerWaalsContact OG1-O 3.14Å; T488-S501 WeakPolarHBondContact CB-OG 3.05Å; T488-S501 PolarHBondContact O-N 3.24Å; S501-G505 WeakPolarHBondContact CA-O 3.42Å
502	S	97.1	Very high	96.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.			trans	-141.4	-168.4	173.1	65.9	0	0	0	0	109.9	Y54 F480 P485 T487 E504 G505	Y54-S502 VanDerWaalsContact CB-O 3.31Å; Y54-S502 WeakPolarHBondContact CB-O 3.48Å; Y54-S502 PolarHBondContact N-O 2.04Å; Y54-S502 VanDerWaalsContact N-O 3.08Å; F480-S502 WeakPolarHBondContact CE1-OG 3.48Å; F480-S502 VanDerWaalsContact CE2-CB 3.41Å; F480-S502 WeakPolarHBondContact CE2-OG 3.3Å; F480-S502 VanDerWaalsContact CZ-OG 3.3Å; F480-S502 WeakPolarHBondContact CZ-OG 3.05Å; P485-S502 VanDerWaalsContact O-CB 3.29Å; P485-S502 WeakPolarHBondContact O-CB 3.44Å; T487-S502 WeakPolarHBondContact OG1-CA 3.22Å; S502-E504 PolarHBondContact O-N 2.9Å; S502-E504 PolarHBondContact OG-N 3.36Å; S502-E504 VanDerWaalsContact OG-N 3.17Å; S502-G505 PolarHBondContact N-O 2.67Å
503	N	94.7	Very high	96.3	Very high	50 Å²	50	21.4 Å²	21.4	27%	0.267	11%	0.106	S	C	.	.	S	Bend	trans	-67.9	-21.9	169.1	65.3	-39.1	0	0	0	113.8	P51 L52 D53 A484	P51-N503 CarbonylContact C-O 3.55Å; P51-N503 VanDerWaalsContact CA-O 3.24Å; P51-N503 WeakPolarHBondContact CA-O 3.33Å; P51-N503 HydrophobicContact CB-CB 4.19Å; P51-N503 WeakPolarHBondContact CB-O 3.31Å; L52-N503 PolarHBondContact N-O 2.93Å; D53-N503 PolarHBondContact N-O 2.53Å; D53-N503 VanDerWaalsContact N-O 3.09Å; A484-N503 VanDerWaalsContact CB-OD1 3.26Å; A484-N503 WeakPolarHBondContact CB-OD1 3.48Å
504	E	94.4	Very high	96.3	Very high	31 Å²	31	19.4 Å²	19.4	15%	0.145	9%	0.092	C	C	.	.	S	Bend	trans	-86.6	-36	-174.6	-57.2	-69.7	130.8	0	0	113.2	Y44 S46 P51 Y54 N482 A484 S502	Y44-E504 PolarHBondContact OH-O 3.4Å; S46-E504 PolarHBondContact OG-O 3.23Å; S46-E504 VanDerWaalsContact OG-O 3.07Å; P51-E504 VanDerWaalsContact CG-OE1 3.26Å; P51-E504 WeakPolarHBondContact CG-OE1 3.39Å; Y54-E504 VanDerWaalsContact CE2-C 3.41Å; Y54-E504 VanDerWaalsContact CE2-O 3.25Å; Y54-E504 WeakPolarHBondContact CE2-O 3.29Å; N482-E504 HydrophobicContact CB-CG 4.47Å; N482-E504 PolarHBondContact ND2-OE2 3.23Å; A484-E504 HydrophobicContact CB-CG 3.53Å; S502-E504 PolarHBondContact O-N 2.9Å; S502-E504 PolarHBondContact OG-N 3.36Å; S502-E504 VanDerWaalsContact OG-N 3.17Å
505	G	96.2	Very high	96.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.			trans	174.9	-165.4	-173	0	0	0	0	0	114	F45 Y54 S501 S502	F45-G505 WeakPolarHBondContact O-CA 3.47Å; Y54-G505 VanDerWaalsContact CD2-CA 3.42Å; Y54-G505 VanDerWaalsContact CD2-N 3.31Å; Y54-G505 VanDerWaalsContact CE2-CA 3.44Å; S501-G505 WeakPolarHBondContact CA-O 3.42Å; S502-G505 PolarHBondContact N-O 2.67Å
506	V	97.9	Very high	96.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.3	175.6	-175.8	0	0	0	0	109.2	F45 Y54 L57 V68 I82 V500	F45-V506 PolarHBondContact N-O 2.9Å; F45-V506 PolarHBondContact O-N 3.04Å; Y54-V506 HydrophobicContact CD1-CG2 4.05Å; Y54-V506 HydrophobicContact CG-CG2 4.29Å; L57-V506 HydrophobicContact CD2-CG1 4.49Å; L57-V506 HydrophobicContact CD2-CG2 4.33Å; V68-V506 HydrophobicContact CG1-CG2 3.97Å; V68-V506 HydrophobicContact CG2-CG2 4.22Å; I82-V506 HydrophobicContact CD1-CG1 4.32Å; I82-V506 VanDerWaalsContact CD1-O 3.28Å; I82-V506 WeakPolarHBondContact CD1-O 3.25Å; V500-V506 CarbonylContact O-C 3.56Å; V500-V506 WeakPolarHBondContact O-CA 3.4Å
507	S	97.8	Very high	96.1	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.028	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.8	174.9	-57.8	0	0	0	0	109.6	E43 Y44 V479 F480 Y499 V500	E43-S507 CarbonylContact O-C 3.59Å; E43-S507 WeakPolarHBondContact O-CA 3.28Å; Y44-S507 WeakPolarHBondContact CD2-OG 3.26Å; V479-S507 PolarHBondContact O-OG 3.24Å; F480-S507 VanDerWaalsContact CE1-OG 3.25Å; F480-S507 WeakPolarHBondContact CE1-OG 3.12Å; Y499-S507 WeakPolarHBondContact CA-O 3.38Å; V500-S507 PolarHBondContact N-O 3.28Å; V500-S507 PolarHBondContact O-N 3.36Å
508	Q	97.9	Very high	95.6	Very high	6 Å²	6	14.6 Å²	14.6	3%	0.028	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.7	168.7	173	-173.9	-2.6	0	0	107.8	S42 E43 I79 N80 I82 Q497 L498 Y499	S42-Q508 CarbonylContact C-O 3.54Å; S42-Q508 WeakPolarHBondContact CA-O 3.27Å; S42-Q508 WeakPolarHBondContact CB-O 3.44Å; E43-Q508 HydrophobicContact CB-CB 4.27Å; E43-Q508 PolarHBondContact N-O 2.73Å; E43-Q508 PolarHBondContact O-N 2.89Å; I79-Q508 PolarHBondContact O-NE2 2.99Å; N80-Q508 PolarHBondContact O-NE2 2.84Å; I82-Q508 HydrophobicContact CD1-CB 3.68Å; I82-Q508 HydrophobicContact CG1-CB 3.85Å; I82-Q508 HydrophobicContact CG2-CB 4.05Å; Q497-Q508 HydrophobicContact CB-CG 4.45Å; L498-Q508 CarbonylContact O-C 3.53Å; L498-Q508 WeakPolarHBondContact O-CA 3.42Å; Y499-Q508 HydrophobicContact CD1-CB 4.13Å; Y499-Q508 HydrophobicContact CD1-CG 4.21Å; Y499-Q508 HydrophobicContact CE1-CB 4.12Å; Y499-Q508 HydrophobicContact CE1-CG 3.74Å
509	V	97.7	Very high	94.9	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.018	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.6	-175.8	-173.4	0	0	0	0	109.4	L477 V479 Q497 L498	L477-V509 HydrophobicContact CD1-CG1 3.76Å; V479-V509 HydrophobicContact CG1-CG2 3.9Å; Q497-V509 CarbonylContact C-O 3.49Å; Q497-V509 PolarHBondContact OE1-O 3.02Å; L498-V509 WeakPolarHBondContact CB-O 3.23Å; L498-V509 PolarHBondContact N-O 3.37Å; L498-V509 PolarHBondContact O-N 2.97Å
510	S	97.2	Very high	94.3	Very high	11 Å²	11	20.7 Å²	20.7	8%	0.077	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	154.3	176.5	-173.7	0	0	0	0	111.7	T41 Q497 H512 R513	T41-S510 PolarHBondContact O-N 2.7Å; Q497-S510 VanDerWaalsContact OE1-CA 3.31Å; S510-H512 PolarHBondContact O-N 2.63Å; S510-H512 PolarHBondContact OG-N 2.8Å; S510-H512 PolarHBondContact OG-O 2.78Å; S510-R513 PolarHBondContact O-NH1 2.92Å
511	L	97	Very high	93.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-74.8	-16.7	171.9	-57.1	-178.1	0	0	0	112.7	F448 K458 I491 Q496 L498 Y531	F448-L511 HydrophobicContact CE1-CD2 4.04Å; F448-L511 HydrophobicContact CE2-CD2 3.85Å; F448-L511 HydrophobicContact CZ-CB 4.11Å; F448-L511 HydrophobicContact CZ-CD2 3.56Å; F448-L511 HydrophobicContact CZ-CG 4.32Å; K458-L511 PolarHBondContact NZ-O 2.79Å; I491-L511 HydrophobicContact CD1-CD1 3.96Å; I491-L511 HydrophobicContact CD1-CD2 3.75Å; I491-L511 HydrophobicContact CG1-CD1 4.17Å; I491-L511 HydrophobicContact CG1-CD2 4.01Å; Q496-L511 PolarHBondContact O-N 3.31Å; Q496-L511 VanDerWaalsContact O-N 3.08Å; L498-L511 HydrophobicContact CB-CD2 3.9Å; L511-Y531 HydrophobicContact CB-CE1 4.09Å; L511-Y531 HydrophobicContact CB-CE2 4.33Å; L511-Y531 HydrophobicContact CD1-CE1 4.38Å
512	H	94.8	Very high	93.3	Very high	40 Å²	40	20.8 Å²	20.8	19%	0.185	11%	0.114	C	C	.	.			trans	-141.7	142.7	-175.3	63.3	88.2	0	0	0	113.2	S510 Y531 R541	S510-H512 PolarHBondContact O-N 2.63Å; S510-H512 PolarHBondContact OG-N 2.8Å; S510-H512 PolarHBondContact OG-O 2.78Å; H512-Y531 HydrophobicContact CB-CG 4.08Å; H512-R541 PolarHBondContact CD2-NH1 3.41Å; H512-R541 PolarHBondContact NE2-NH1 2.83Å
513	R	94.9	Very high	92.9	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	12%	0.118	C	C	.	.			trans	-136.7	47.4	179.4	-82.2	160.8	-63.9	-64	-10	111.2	T41 E475 S510 H515 I516	T41-R513 HydrophobicContact CG2-CG 3.6Å; T41-R513 WeakPolarHBondContact OG1-CD 3.44Å; T41-R513 WeakPolarHBondContact OG1-CG 3.43Å; E475-R513 IonicContact OE1-CZ 3.93Å; E475-R513 IonicContact OE1-NH2 3.61Å; E475-R513 PolarHBondContact OE1-NH2 2.81Å; E475-R513 VanDerWaalsContact OE1-NH2 3.13Å; E475-R513 IonicContact OE2-CZ 3.27Å; E475-R513 IonicContact OE2-NE 3.31Å; E475-R513 PolarHBondContact OE2-NE 2.78Å; E475-R513 IonicContact OE2-NH2 2.62Å; E475-R513 PolarHBondContact OE2-NH2 2.92Å; S510-R513 PolarHBondContact O-NH1 2.92Å; R513-H515 PolarHBondContact O-N 2.69Å; R513-I516 HydrophobicContact CB-CD1 3.71Å; R513-I516 HydrophobicContact CB-CG1 4.15Å; R513-I516 HydrophobicContact CB-CG2 3.96Å; R513-I516 VanDerWaalsContact O-CG1 3.23Å; R513-I516 WeakPolarHBondContact O-CG1 3.25Å; R513-I516 PolarHBondContact O-N 2.84Å
514	C	94.9	Very high	92.7	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.034	11%	0.107	C	C	.	.	H	α-helix	trans	-51.9	-31	-166	-52.1	0	0	0	0	115.7	I516 Y517 C532 C539	C514-I516 VanDerWaalsContact C-N 3.25Å; C514-I516 PolarHBondContact O-N 2.89Å; C514-Y517 PolarHBondContact O-N 3.13Å; C514-C532 WeakPolarHBondContact CA-SG 3.19Å; C514-C532 HydrophobicContact CB-CB 3.67Å; C514-C532 WeakPolarHBondContact CB-SG 3.24Å; C514-C532 WeakPolarHBondContact SG-CA 3.4Å; C514-C532 WeakPolarHBondContact SG-CB 3.18Å; C514-C532 CovalentContact SG-SG 2.04Å; C514-C532 PolarHBondContact SG-SG 3.03Å; C514-C539 CarbonylContact C-O 3.24Å; C514-C539 HydrophobicContact CB-CB 4.47Å; C514-C539 WeakPolarHBondContact CB-O 3.44Å; C514-C539 WeakPolarHBondContact O-CB 3.48Å; C514-C539 PolarHBondContact O-SG 2.86Å; C514-C539 VanDerWaalsContact O-SG 3.34Å
515	H	92.4	Very high	92.6	Very high	106 Å²	106	18.3 Å²	18.3	49%	0.491	10%	0.102	S	C	.	.	H	α-helix	trans	-63.7	-25.7	178.3	65	-90.6	0	0	0	113.8	R513 Y517	R513-H515 PolarHBondContact O-N 2.69Å; H515-Y517 VanDerWaalsContact C-N 3.31Å; H515-Y517 PolarHBondContact O-N 3.27Å
516	I	92.6	Very high	92.3	Very high	36 Å²	36	18.8 Å²	18.8	19%	0.185	11%	0.105	C	C	.	.	H	α-helix	trans	-71	-29	-178.6	78.4	-174.9	0	0	0	112	V29 L31 T39 R513 C514 G518	V29-I516 HydrophobicContact CB-CD1 4.45Å; V29-I516 HydrophobicContact CG1-CD1 3.95Å; V29-I516 HydrophobicContact CG2-CD1 4.5Å; L31-I516 HydrophobicContact CD1-CD1 4.1Å; T39-I516 HydrophobicContact CG2-CG2 3.88Å; R513-I516 HydrophobicContact CB-CD1 3.71Å; R513-I516 HydrophobicContact CB-CG1 4.15Å; R513-I516 HydrophobicContact CB-CG2 3.96Å; R513-I516 VanDerWaalsContact O-CG1 3.23Å; R513-I516 WeakPolarHBondContact O-CG1 3.25Å; R513-I516 PolarHBondContact O-N 2.84Å; C514-I516 VanDerWaalsContact C-N 3.25Å; C514-I516 PolarHBondContact O-N 2.89Å; I516-G518 PolarHBondContact O-N 2.98Å
517	Y	90.6	Very high	92	Very high	5 Å²	5	18.9 Å²	18.9	2%	0.02	11%	0.105	C	C	.	.	H	α-helix	trans	-65.7	-31.6	-175.9	-67.7	-51.7	0	0	0	112.2	V29 E475 C514 H515 D523 A527 D529 C532	V29-Y517 HydrophobicContact CG2-CD1 3.95Å; V29-Y517 HydrophobicContact CG2-CE1 3.91Å; E475-Y517 HydrophobicContact CG-CE1 4.34Å; E475-Y517 WeakPolarHBondContact CG-OH 3.41Å; E475-Y517 PolarHBondContact OE1-OH 3.09Å; C514-Y517 PolarHBondContact O-N 3.13Å; H515-Y517 VanDerWaalsContact C-N 3.31Å; H515-Y517 PolarHBondContact O-N 3.27Å; Y517-D523 WeakPolarHBondContact O-CB 3.45Å; Y517-A527 HydrophobicContact CD1-CB 3.57Å; Y517-A527 HydrophobicContact CD2-CB 3.54Å; Y517-A527 HydrophobicContact CE1-CB 3.95Å; Y517-A527 HydrophobicContact CE2-CB 3.91Å; Y517-A527 HydrophobicContact CG-CB 3.35Å; Y517-D529 HydrophobicContact CE2-CB 3.65Å; Y517-D529 WeakPolarHBondContact CE2-OD2 3.36Å; Y517-D529 PolarHBondContact OH-OD2 3.35Å; Y517-C532 HydrophobicContact CD2-CB 4.44Å; Y517-C532 HydrophobicContact CE2-CB 4.35Å
518	G	86.8	Confident	91.8	Very high	6 Å²	6	20.7 Å²	20.7	6%	0.062	11%	0.112	C	C	.	.			trans	147.5	176.6	175.5	0	0	0	0	0	112.7	I516 D523	I516-G518 PolarHBondContact O-N 2.98Å; G518-D523 WeakPolarHBondContact CA-OD2 3.23Å
519	T	84.6	Confident	91.7	Very high	118 Å²	118	20.5 Å²	20.5	72%	0.724	11%	0.111	S	C	*	.	S	Bend	trans	-104	-2	-163.7	92.9	0	0	0	0	111.6	W534	T519-W534 VanDerWaalsContact O-CH2 3.27Å; T519-W534 WeakPolarHBondContact O-CH2 3.27Å; T519-W534 WeakPolarHBondContact O-CZ3 3.42Å
520	A	85.1	Confident	91.6	Very high	13 Å²	13	20.4 Å²	20.4	11%	0.107	11%	0.11	C	C	.	.	S	Bend	trans	-133.7	160.7	-175.9	0	0	0	0	0	112.1	A522 D523 C524 W534 Y572	A520-A522 VanDerWaalsContact C-N 3.32Å; A520-A522 PolarHBondContact O-N 3.17Å; A520-D523 WeakPolarHBondContact O-CB 3.29Å; A520-D523 PolarHBondContact O-N 3.15Å; A520-C524 PolarHBondContact O-N 3.1Å; A520-W534 VanDerWaalsContact CA-CZ3 3.41Å; A520-Y572 WeakPolarHBondContact CA-OH 3.4Å; A520-Y572 HydrophobicContact CB-CE1 4.04Å; A520-Y572 HydrophobicContact CB-CE2 3.53Å; A520-Y572 WeakPolarHBondContact CB-OH 3.37Å; A520-Y572 PolarHBondContact O-OH 3.06Å
521	C	88	Confident	91.5	Very high	1 Å²	1	20 Å²	20	1%	0.007	11%	0.107	C	C	.	.	H	α-helix	trans	-58.8	-39.5	-166.7	-179.3	0	0	0	0	113.7	D523 C524 C525 W534 C564 F567 Y572	C521-D523 VanDerWaalsContact C-N 3.34Å; C521-D523 PolarHBondContact O-N 3.07Å; C521-C524 PolarHBondContact O-N 3.27Å; C521-C525 WeakPolarHBondContact O-CB 3.41Å; C521-C525 PolarHBondContact O-N 3.02Å; C521-W534 HydrophobicContact CB-CD2 3.65Å; C521-W534 HydrophobicContact CB-CE3 4.18Å; C521-W534 HydrophobicContact CB-CG 3.79Å; C521-W534 HydrophobicContact CB-CZ2 4.32Å; C521-C564 HydrophobicContact CB-CB 3.75Å; C521-C564 WeakPolarHBondContact CB-SG 3.41Å; C521-C564 PolarHBondContact O-SG 3.15Å; C521-C564 VanDerWaalsContact SG-CA 3.54Å; C521-C564 WeakPolarHBondContact SG-CB 3.49Å; C521-C564 CovalentContact SG-SG 2.04Å; C521-C564 PolarHBondContact SG-SG 3.06Å; C521-F567 HydrophobicContact CB-CB 4.22Å; C521-Y572 PolarHBondContact N-OH 3.31Å
522	A	87.8	Confident	91.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-66.5	-39.3	-178.3	0	0	0	0	0	111.3	A520 C524 C525 L526 P560 Y572 F650	A520-A522 VanDerWaalsContact C-N 3.32Å; A520-A522 PolarHBondContact O-N 3.17Å; A522-C524 VanDerWaalsContact C-N 3.33Å; A522-C524 PolarHBondContact O-N 3.45Å; A522-C525 PolarHBondContact O-N 3.47Å; A522-L526 WeakPolarHBondContact O-CB 3.4Å; A522-L526 VanDerWaalsContact O-CG 3.24Å; A522-L526 WeakPolarHBondContact O-CG 3.49Å; A522-L526 PolarHBondContact O-N 3.44Å; A522-P560 HydrophobicContact CB-CB 3.67Å; A522-P560 HydrophobicContact CB-CG 3.93Å; A522-Y572 HydrophobicContact CB-CE1 4.2Å; A522-Y572 HydrophobicContact CB-CE2 3.82Å; A522-Y572 WeakPolarHBondContact CB-OH 3.27Å; A522-Y572 PolarHBondContact N-OH 3.08Å; A522-F650 HydrophobicContact CB-CE1 3.65Å; A522-F650 HydrophobicContact CB-CE2 4.43Å; A522-F650 HydrophobicContact CB-CZ 3.6Å
523	D	88.1	Confident	91.4	Very high	17 Å²	17	18.3 Å²	18.3	9%	0.091	10%	0.1	C	C	.	.	H	α-helix	trans	-61.2	-45.6	178.9	-56.8	7	0	0	0	110.2	Y517 G518 A520 C521 L526 A527 Y572 K595	Y517-D523 WeakPolarHBondContact O-CB 3.45Å; G518-D523 WeakPolarHBondContact CA-OD2 3.23Å; A520-D523 WeakPolarHBondContact O-CB 3.29Å; A520-D523 PolarHBondContact O-N 3.15Å; C521-D523 VanDerWaalsContact C-N 3.34Å; C521-D523 PolarHBondContact O-N 3.07Å; D523-L526 PolarHBondContact O-N 2.99Å; D523-A527 PolarHBondContact O-N 3.11Å; D523-Y572 PolarHBondContact N-OH 3.49Å; D523-Y572 VanDerWaalsContact N-OH 3.12Å; D523-Y572 VanDerWaalsContact OD1-CE1 3.3Å; D523-Y572 WeakPolarHBondContact OD1-CE1 3.02Å; D523-Y572 PolarHBondContact OD1-OH 2.71Å; D523-K595 IonicContact OD2-NZ 2.95Å
524	C	91.1	Very high	91.2	Very high	6 Å²	6	18.5 Å²	18.5	4%	0.041	10%	0.1	C	C	.	.	H	α-helix	trans	-65.4	-39.2	178.1	-162.8	0	0	0	0	112.5	A520 C521 A522 A527 W534 C539	A520-C524 PolarHBondContact O-N 3.1Å; C521-C524 PolarHBondContact O-N 3.27Å; A522-C524 VanDerWaalsContact C-N 3.33Å; A522-C524 PolarHBondContact O-N 3.45Å; C524-A527 WeakPolarHBondContact O-CB 3.49Å; C524-A527 PolarHBondContact O-N 2.74Å; C524-W534 HydrophobicContact CB-CB 4.37Å; C524-W534 HydrophobicContact CB-CE3 4.23Å; C524-W534 PolarHBondContact SG-N 3.11Å; C524-W534 VanDerWaalsContact SG-N 3.4Å; C524-C539 VanDerWaalsContact CA-SG 3.56Å; C524-C539 HydrophobicContact CB-CB 3.54Å; C524-C539 WeakPolarHBondContact CB-SG 2.98Å; C524-C539 WeakPolarHBondContact SG-CA 3.14Å; C524-C539 WeakPolarHBondContact SG-CB 3.23Å; C524-C539 CovalentContact SG-SG 2.04Å; C524-C539 PolarHBondContact SG-SG 2.93Å
525	C	90.8	Very high	90.8	Very high	6 Å²	6	20.5 Å²	20.5	4%	0.041	11%	0.111	C	C	.	.	H	α-helix	trans	-69.5	-42.4	178	-172.3	0	0	0	0	111.9	C521 A522 A527 R528 N559 P560	C521-C525 WeakPolarHBondContact O-CB 3.41Å; C521-C525 PolarHBondContact O-N 3.02Å; A522-C525 PolarHBondContact O-N 3.47Å; C525-A527 PolarHBondContact O-N 3.02Å; C525-R528 PolarHBondContact O-N 3.37Å; C525-N559 VanDerWaalsContact SG-C 3.6Å; C525-P560 HydrophobicContact CB-CG 4.25Å
526	L	90.6	Very high	90.5	Very high	10 Å²	10	16.6 Å²	16.6	5%	0.052	10%	0.099	C	C	.	.	H	α-helix	trans	-67.8	-23.5	176.8	-70.3	166.5	0	0	0	112.7	R28 A522 D523 R528 P560 E647 N648 F650	R28-L526 PolarHBondContact NH1-O 3.33Å; A522-L526 WeakPolarHBondContact O-CB 3.4Å; A522-L526 VanDerWaalsContact O-CG 3.24Å; A522-L526 WeakPolarHBondContact O-CG 3.49Å; A522-L526 PolarHBondContact O-N 3.44Å; D523-L526 PolarHBondContact O-N 2.99Å; L526-R528 WeakPolarHBondContact O-CG 3.1Å; L526-R528 PolarHBondContact O-N 3.11Å; L526-P560 HydrophobicContact CD1-CG 4.16Å; L526-P560 HydrophobicContact CD2-CG 3.88Å; L526-P560 HydrophobicContact CG-CG 3.65Å; L526-E647 HydrophobicContact CD2-CB 4.46Å; L526-E647 HydrophobicContact CD2-CG 4.2Å; L526-N648 HydrophobicContact CD2-CB 4.23Å; L526-F650 HydrophobicContact CD1-CD1 3.83Å; L526-F650 HydrophobicContact CD1-CE1 4.39Å; L526-F650 HydrophobicContact CD2-CB 4.39Å
527	A	92.4	Very high	90.1	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-33.6	174.9	0	0	0	0	0	113.1	L474 Y517 D523 C524 C525 D529	L474-A527 WeakPolarHBondContact CD2-O 3.28Å; Y517-A527 HydrophobicContact CD1-CB 3.57Å; Y517-A527 HydrophobicContact CD2-CB 3.54Å; Y517-A527 HydrophobicContact CE1-CB 3.95Å; Y517-A527 HydrophobicContact CE2-CB 3.91Å; Y517-A527 HydrophobicContact CG-CB 3.35Å; D523-A527 PolarHBondContact O-N 3.11Å; C524-A527 WeakPolarHBondContact O-CB 3.49Å; C524-A527 PolarHBondContact O-N 2.74Å; C525-A527 PolarHBondContact O-N 3.02Å; A527-D529 PolarHBondContact O-N 3.05Å
528	R	93.1	Very high	90	Very high	43 Å²	43	24.8 Å²	24.8	16%	0.162	14%	0.142	C	C	.	.			trans	53.8	25	178.5	-58.8	172.9	71.3	177.3	1.5	113.7	L472 C525 L526 P530 V555 R556	L472-R528 HydrophobicContact CD1-CB 4.31Å; L472-R528 VanDerWaalsContact CD1-CZ 3.42Å; C525-R528 PolarHBondContact O-N 3.37Å; L526-R528 WeakPolarHBondContact O-CG 3.1Å; L526-R528 PolarHBondContact O-N 3.11Å; R528-P530 WeakPolarHBondContact O-CD 3.3Å; R528-V555 PolarHBondContact NE-O 2.92Å; R528-V555 PolarHBondContact NH2-O 2.96Å; R528-R556 PolarHBondContact NH2-O 3.19Å
529	D	95.5	Very high	90.3	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.011	14%	0.141	C	C	.	.			trans	-81.4	118.5	175.8	-177.9	-2	0	0	0	109.9	K458 L474 Y517 A527 Y531 C532 Q553	K458-D529 VanDerWaalsContact NZ-CG 3.29Å; K458-D529 IonicContact NZ-OD1 2.79Å; K458-D529 PolarHBondContact NZ-OD1 3.32Å; K458-D529 IonicContact NZ-OD2 2.63Å; K458-D529 PolarHBondContact NZ-OD2 3.27Å; L474-D529 HydrophobicContact CD1-CB 4.05Å; Y517-D529 HydrophobicContact CE2-CB 3.65Å; Y517-D529 WeakPolarHBondContact CE2-OD2 3.36Å; Y517-D529 PolarHBondContact OH-OD2 3.35Å; A527-D529 PolarHBondContact O-N 3.05Å; D529-Y531 PolarHBondContact O-N 2.71Å; D529-Y531 VanDerWaalsContact O-N 3.12Å; D529-Y531 VanDerWaalsContact OD1-CD2 3.27Å; D529-Y531 WeakPolarHBondContact OD1-CD2 3.36Å; D529-Y531 PolarHBondContact OD1-N 3.17Å; D529-C532 HydrophobicContact CB-CB 4.09Å; D529-C532 PolarHBondContact O-N 2.89Å; D529-C532 VanDerWaalsContact O-O 3.11Å; D529-C532 PolarHBondContact OD2-SG 3.14Å; D529-Q553 PolarHBondContact O-NE2 2.82Å
530	P	95.4	Very high	90.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.1	176.7	-25.1	34.8	0	0	0	114.3	V437 A439 Y444 V446 V460 R528 C532 Q553 V555	V437-P530 HydrophobicContact CB-CB 4.07Å; V437-P530 HydrophobicContact CG1-CB 3.85Å; A439-P530 HydrophobicContact CB-CB 4.3Å; Y444-P530 HydrophobicContact CD2-CB 4.49Å; Y444-P530 HydrophobicContact CD2-CG 4.37Å; Y444-P530 HydrophobicContact CG-CG 4.09Å; V446-P530 HydrophobicContact CG2-CB 4.42Å; V446-P530 HydrophobicContact CG2-CG 3.91Å; V460-P530 HydrophobicContact CG2-CG 3.81Å; R528-P530 WeakPolarHBondContact O-CD 3.3Å; P530-C532 VanDerWaalsContact C-N 3.29Å; P530-C532 PolarHBondContact O-N 3.36Å; P530-Q553 VanDerWaalsContact C-NE2 3.35Å; P530-Q553 PolarHBondContact O-NE2 2.98Å; P530-V555 HydrophobicContact CB-CG2 4.3Å; P530-V555 HydrophobicContact CG-CG1 3.98Å; P530-V555 HydrophobicContact CG-CG2 4.2Å
531	Y	95.9	Very high	91	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.016	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.5	177.3	-64	-80.8	0	0	0	113.9	D435 V437 V446 F448 L511 H512 D529 R541 F542	D435-Y531 WeakPolarHBondContact CB-OH 3.31Å; D435-Y531 VanDerWaalsContact CG-OH 3.25Å; D435-Y531 WeakPolarHBondContact OD2-CE1 3.49Å; D435-Y531 PolarHBondContact OD2-OH 2.9Å; V437-Y531 HydrophobicContact CB-CE1 4.41Å; V437-Y531 HydrophobicContact CG1-CD1 3.92Å; V437-Y531 HydrophobicContact CG1-CE1 3.95Å; V437-Y531 HydrophobicContact CG1-CG 4.33Å; V437-Y531 HydrophobicContact CG2-CD1 4.26Å; V437-Y531 HydrophobicContact CG2-CD2 4.46Å; V437-Y531 HydrophobicContact CG2-CE1 3.52Å; V437-Y531 HydrophobicContact CG2-CE2 3.77Å; V437-Y531 VanDerWaalsContact CG2-OH 3.28Å; V437-Y531 WeakPolarHBondContact CG2-OH 3.48Å; V446-Y531 HydrophobicContact CB-CE2 4.16Å; V446-Y531 HydrophobicContact CG1-CE2 4.06Å; V446-Y531 HydrophobicContact CG2-CE2 4Å; F448-Y531 HydrophobicContact CZ-CE2 4.23Å; L511-Y531 HydrophobicContact CB-CE1 4.09Å; L511-Y531 HydrophobicContact CB-CE2 4.33Å; L511-Y531 HydrophobicContact CD1-CE1 4.38Å; H512-Y531 HydrophobicContact CB-CG 4.08Å; D529-Y531 PolarHBondContact O-N 2.71Å; D529-Y531 VanDerWaalsContact O-N 3.12Å; D529-Y531 VanDerWaalsContact OD1-CD2 3.27Å; D529-Y531 WeakPolarHBondContact OD1-CD2 3.36Å; D529-Y531 PolarHBondContact OD1-N 3.17Å; Y531-R541 CarbonylContact O-C 3.46Å; Y531-R541 WeakPolarHBondContact O-CA 3.43Å; Y531-F542 PolarHBondContact O-N 3.37Å
532	C	95.1	Very high	91.1	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.02	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.2	-169.4	-61.7	0	0	0	0	112.6	C514 Y517 D529 P530 S540 Q553	C514-C532 WeakPolarHBondContact CA-SG 3.19Å; C514-C532 HydrophobicContact CB-CB 3.67Å; C514-C532 WeakPolarHBondContact CB-SG 3.24Å; C514-C532 WeakPolarHBondContact SG-CA 3.4Å; C514-C532 WeakPolarHBondContact SG-CB 3.18Å; C514-C532 CovalentContact SG-SG 2.04Å; C514-C532 PolarHBondContact SG-SG 3.03Å; Y517-C532 HydrophobicContact CD2-CB 4.44Å; Y517-C532 HydrophobicContact CE2-CB 4.35Å; D529-C532 HydrophobicContact CB-CB 4.09Å; D529-C532 PolarHBondContact O-N 2.89Å; D529-C532 VanDerWaalsContact O-O 3.11Å; D529-C532 PolarHBondContact OD2-SG 3.14Å; P530-C532 VanDerWaalsContact C-N 3.29Å; P530-C532 PolarHBondContact O-N 3.36Å; C532-S540 WeakPolarHBondContact CA-O 3.25Å; C532-Q553 WeakPolarHBondContact O-CG 3.24Å; C532-Q553 PolarHBondContact O-NE2 2.93Å
533	A	93.4	Very high	91	Very high	1 Å²	1	31 Å²	31	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.6	176.4	0	0	0	0	0	110.5	D535 S540 F542 Q553	A533-D535 PolarHBondContact O-N 3.47Å; A533-S540 PolarHBondContact N-O 3.22Å; A533-S540 PolarHBondContact O-N 3.36Å; A533-F542 HydrophobicContact CB-CB 4.11Å; A533-F542 HydrophobicContact CB-CD2 3.79Å; A533-F542 HydrophobicContact CB-CG 4.43Å; A533-Q553 HydrophobicContact CB-CB 3.9Å; A533-Q553 HydrophobicContact CB-CG 4.39Å
534	W	91.1	Very high	90.5	Very high	5 Å²	5	35 Å²	35	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.8	170	-177.9	-102	0	0	0	108.9	T519 A520 C521 C524 G536 H537 S538 R551 R552 F567	T519-W534 VanDerWaalsContact O-CH2 3.27Å; T519-W534 WeakPolarHBondContact O-CH2 3.27Å; T519-W534 WeakPolarHBondContact O-CZ3 3.42Å; A520-W534 VanDerWaalsContact CA-CZ3 3.41Å; C521-W534 HydrophobicContact CB-CD2 3.65Å; C521-W534 HydrophobicContact CB-CE3 4.18Å; C521-W534 HydrophobicContact CB-CG 3.79Å; C521-W534 HydrophobicContact CB-CZ2 4.32Å; C524-W534 HydrophobicContact CB-CB 4.37Å; C524-W534 HydrophobicContact CB-CE3 4.23Å; C524-W534 PolarHBondContact SG-N 3.11Å; C524-W534 VanDerWaalsContact SG-N 3.4Å; W534-G536 VanDerWaalsContact CD1-N 3.32Å; W534-G536 VanDerWaalsContact NE1-CA 3.26Å; W534-H537 WeakPolarHBondContact CH2-O 3.38Å; W534-S538 VanDerWaalsContact CZ3-C 3.44Å; W534-S538 VanDerWaalsContact CZ3-CA 3.44Å; W534-R551 CarbonylContact O-C 3.43Å; W534-R551 WeakPolarHBondContact O-CA 3.42Å; W534-R552 HydrophobicContact CB-CB 4.25Å; W534-R552 PolarHBondContact N-O 2.9Å; W534-R552 PolarHBondContact O-N 2.72Å; W534-F567 AromaticContact NE1-CD1 3.79Å
535	D	87.1	Confident	89.4	Confident	47 Å²	47	37.5 Å²	37.5	25%	0.251	20%	0.195	S	C	.	.			trans	-94.4	-5.8	-178.8	61.7	19.9	0	0	0	115	A533 H537 S538 S540 S550 R551	A533-D535 PolarHBondContact O-N 3.47Å; D535-H537 PolarHBondContact OD1-N 3.22Å; D535-S538 PolarHBondContact N-O 2.92Å; D535-S538 VanDerWaalsContact N-O 3.14Å; D535-S538 PolarHBondContact OD1-N 2.81Å; D535-S538 VanDerWaalsContact OD1-O 3.12Å; D535-S540 WeakPolarHBondContact CB-OG 3.29Å; D535-S540 VanDerWaalsContact CG-OG 3.31Å; D535-S540 WeakPolarHBondContact OD2-CB 3.49Å; D535-S540 PolarHBondContact OD2-OG 2.93Å; D535-S550 VanDerWaalsContact O-CB 3.3Å; D535-S550 WeakPolarHBondContact O-CB 3.49Å; D535-S550 PolarHBondContact O-OG 2.91Å; D535-R551 HydrophobicContact CB-CG 4.45Å
536	G	84.9	Confident	88	Confident	24 Å²	24	41 Å²	41	25%	0.247	23%	0.233	C	C	.	.	S	Bend	trans	118.2	-25.2	-173	0	0	0	0	0	112.4	W534	W534-G536 VanDerWaalsContact CD1-N 3.32Å; W534-G536 VanDerWaalsContact NE1-CA 3.26Å
537	H	83.9	Confident	86.5	Confident	163 Å²	163	49.7 Å²	49.7	76%	0.755	27%	0.27	S	S	*	.	S	Bend	trans	-125.2	-40.7	-176.4	-158.9	72.3	0	0	0	113.4	W534 D535	W534-H537 WeakPolarHBondContact CH2-O 3.38Å; D535-H537 PolarHBondContact OD1-N 3.22Å
538	S	89.8	Confident	84.9	Confident	49 Å²	49	59.8 Å²	59.8	34%	0.343	31%	0.308	S	S	.	.	S	Bend	trans	-144.6	168.6	178.9	68.5	0	0	0	0	112	W534 D535 S540	W534-S538 VanDerWaalsContact CZ3-C 3.44Å; W534-S538 VanDerWaalsContact CZ3-CA 3.44Å; D535-S538 PolarHBondContact N-O 2.92Å; D535-S538 VanDerWaalsContact N-O 3.14Å; D535-S538 PolarHBondContact OD1-N 2.81Å; D535-S538 VanDerWaalsContact OD1-O 3.12Å; S538-S540 PolarHBondContact O-N 2.89Å
539	C	91.8	Very high	83.4	Confident	6 Å²	6	68.9 Å²	68.9	4%	0.041	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	110.8	170.1	-165	0	0	0	0	108.8	C514 C524	C514-C539 CarbonylContact C-O 3.24Å; C514-C539 HydrophobicContact CB-CB 4.47Å; C514-C539 WeakPolarHBondContact CB-O 3.44Å; C514-C539 WeakPolarHBondContact O-CB 3.48Å; C514-C539 PolarHBondContact O-SG 2.86Å; C514-C539 VanDerWaalsContact O-SG 3.34Å; C524-C539 VanDerWaalsContact CA-SG 3.56Å; C524-C539 HydrophobicContact CB-CB 3.54Å; C524-C539 WeakPolarHBondContact CB-SG 2.98Å; C524-C539 WeakPolarHBondContact SG-CA 3.14Å; C524-C539 WeakPolarHBondContact SG-CB 3.23Å; C524-C539 CovalentContact SG-SG 2.04Å; C524-C539 PolarHBondContact SG-SG 2.93Å
540	S	92.6	Very high	82	Confident	26 Å²	26	71.4 Å²	71.4	18%	0.182	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	173	-172.5	68.7	0	0	0	0	111.9	C532 A533 D535 S538 F542	C532-S540 WeakPolarHBondContact CA-O 3.25Å; A533-S540 PolarHBondContact N-O 3.22Å; A533-S540 PolarHBondContact O-N 3.36Å; D535-S540 WeakPolarHBondContact CB-OG 3.29Å; D535-S540 VanDerWaalsContact CG-OG 3.31Å; D535-S540 WeakPolarHBondContact OD2-CB 3.49Å; D535-S540 PolarHBondContact OD2-OG 2.93Å; S538-S540 PolarHBondContact O-N 2.89Å; S540-F542 PolarHBondContact O-N 3.2Å
541	R	92.6	Very high	81.3	Confident	82 Å²	82	73.2 Å²	73.2	31%	0.309	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	130.2	-177.2	-175.7	-171.4	167.4	76.2	8.6	111	Q496 H512 Y531 Y543 R551	Q496-R541 VanDerWaalsContact CD-NH1 3.27Å; Q496-R541 VanDerWaalsContact OE1-CZ 3.27Å; H512-R541 PolarHBondContact CD2-NH1 3.41Å; H512-R541 PolarHBondContact NE2-NH1 2.83Å; Y531-R541 CarbonylContact O-C 3.46Å; Y531-R541 WeakPolarHBondContact O-CA 3.43Å; R541-Y543 WeakPolarHBondContact O-CD1 3.25Å; R541-R551 PolarHBondContact O-NH2 3.42Å
542	F	91.1	Very high	80.9	Confident	26 Å²	26	76.3 Å²	76.3	11%	0.114	38%	0.378	C	S	.	.			trans	-70.1	132.9	171.2	-177.8	-101.9	0	0	0	110.7	N438 A440 Y531 A533 S540 P544	N438-F542 WeakPolarHBondContact O-CD1 3.1Å; N438-F542 WeakPolarHBondContact O-CE1 3.4Å; A440-F542 HydrophobicContact CB-CE2 4.05Å; A440-F542 HydrophobicContact CB-CZ 4.24Å; Y531-F542 PolarHBondContact O-N 3.37Å; A533-F542 HydrophobicContact CB-CB 4.11Å; A533-F542 HydrophobicContact CB-CD2 3.79Å; A533-F542 HydrophobicContact CB-CG 4.43Å; S540-F542 PolarHBondContact O-N 3.2Å; F542-P544 HydrophobicContact CE1-CG 4.35Å
543	Y	85.1	Confident	80.8	Confident	129 Å²	129	77 Å²	77	51%	0.506	38%	0.381	S	S	.	.			trans	-143.1	140.9	165.8	52.7	-91.7	0	0	0	108.6	R541 T545 R551	R541-Y543 WeakPolarHBondContact O-CD1 3.25Å; Y543-T545 HydrophobicContact CD2-CG2 3.23Å; Y543-T545 HydrophobicContact CE2-CG2 3.07Å; Y543-T545 HydrophobicContact CG-CG2 4.47Å; Y543-T545 PolarHBondContact O-N 3.11Å; Y543-R551 VanDerWaalsContact CD2-NH1 3.34Å; Y543-R551 VanDerWaalsContact CZ-NH1 3.28Å; Y543-R551 VanDerWaalsContact CZ-NH2 3.27Å; Y543-R551 PolarHBondContact O-NH1 3.02Å; Y543-R551 PolarHBondContact OH-NH2 2.8Å
544	P	76.5	Confident	80.6	Confident	102 Å²	102	77.5 Å²	77.5	66%	0.662	38%	0.384	S	S	*	.			trans	-64.3	116.7	-180	-17.2	29.8	0	0	0	110.2	F542	F542-P544 HydrophobicContact CE1-CG 4.35Å
545	T	69.1	Low	80.6	Confident	58 Å²	58	77.2 Å²	77.2	36%	0.356	38%	0.383	S	S	.	.			trans	-121.1	146.6	175	55.7	0	0	0	0	112.3	Y543 K547	Y543-T545 HydrophobicContact CD2-CG2 3.23Å; Y543-T545 HydrophobicContact CE2-CG2 3.07Å; Y543-T545 HydrophobicContact CG-CG2 4.47Å; Y543-T545 PolarHBondContact O-N 3.11Å; T545-K547 VanDerWaalsContact C-N 3.3Å; T545-K547 PolarHBondContact O-N 3.19Å
546	G	61.6	Low	80.7	Confident	80 Å²	80	79.4 Å²	79.4	83%	0.825	39%	0.388	S	S	*	.	S	Bend	trans	-71	-20.6	171.8	0	0	0	0	0	114.2	R548	G546-R548 PolarHBondContact O-N 3.43Å
547	K	58.8	Low	80.9	Confident	192 Å²	192	83.8 Å²	83.8	84%	0.835	40%	0.401	S	S	*	.			trans	-94.6	87.4	-179.1	-68	-174.1	-179.6	179.9	0	111	T545 R549	T545-K547 VanDerWaalsContact C-N 3.3Å; T545-K547 PolarHBondContact O-N 3.19Å; K547-R549 PolarHBondContact O-N 3.35Å
548	R	58.9	Low	81.1	Confident	214 Å²	214	76 Å²	76	81%	0.808	37%	0.365	S	S	*	.			trans	-70.2	-4.2	-169.7	-67.7	-178.3	174.2	-178.7	-2.3	118	G546 S550	G546-R548 PolarHBondContact O-N 3.43Å; R548-S550 PolarHBondContact O-N 2.94Å
549	R	61.5	Low	81	Confident	234 Å²	234	76.2 Å²	76.2	88%	0.883	36%	0.363	S	S	*	.	S	Bend	trans	-76.9	-26.6	-155.7	-70.6	-171.1	179.8	-173.7	0.8	116.1	K547 R552	K547-R549 PolarHBondContact O-N 3.35Å; R549-R552 PolarHBondContact O-NH2 2.94Å
550	S	65.2	Low	80.8	Confident	55 Å²	55	76 Å²	76	39%	0.385	36%	0.361	S	S	.	.	S	Bend	trans	-114.9	-15.1	-176.4	65.6	0	0	0	0	116.7	D535 R548	D535-S550 VanDerWaalsContact O-CB 3.3Å; D535-S550 WeakPolarHBondContact O-CB 3.49Å; D535-S550 PolarHBondContact O-OG 2.91Å; R548-S550 PolarHBondContact O-N 2.94Å
551	R	82.2	Confident	80.4	Confident	37 Å²	37	79 Å²	79	14%	0.14	38%	0.375	C	S	.	.			trans	-81.4	133.6	-175.7	-82.5	179.2	170.2	-151.4	-23.6	113.6	W534 D535 R541 Y543	W534-R551 CarbonylContact O-C 3.43Å; W534-R551 WeakPolarHBondContact O-CA 3.42Å; D535-R551 HydrophobicContact CB-CG 4.45Å; R541-R551 PolarHBondContact O-NH2 3.42Å; Y543-R551 VanDerWaalsContact CD2-NH1 3.34Å; Y543-R551 VanDerWaalsContact CZ-NH1 3.28Å; Y543-R551 VanDerWaalsContact CZ-NH2 3.27Å; Y543-R551 PolarHBondContact O-NH1 3.02Å; Y543-R551 PolarHBondContact OH-NH2 2.8Å
552	R	87.6	Confident	80	Confident	69 Å²	69	78.5 Å²	78.5	26%	0.26	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-131.6	126	180	-55.6	-65.4	177.6	-106.8	-4.1	110.5	W534 R549 Q563	W534-R552 HydrophobicContact CB-CB 4.25Å; W534-R552 PolarHBondContact N-O 2.9Å; W534-R552 PolarHBondContact O-N 2.72Å; R549-R552 PolarHBondContact O-NH2 2.94Å; R552-Q563 HydrophobicContact CB-CB 4.33Å; R552-Q563 WeakPolarHBondContact CD-O 3.4Å; R552-Q563 VanDerWaalsContact CG-O 3.24Å; R552-Q563 WeakPolarHBondContact CG-O 3.48Å; R552-Q563 PolarHBondContact NE-O 2.87Å
553	Q	91.3	Very high	79.7	Confident	17 Å²	17	79.9 Å²	79.9	8%	0.079	39%	0.388	C	S	.	.			trans	-151.9	140.4	178	-172.7	-175.5	46.8	0	0	108.1	A440 D529 P530 C532 A533 V555	A440-Q553 HydrophobicContact CB-CB 4.07Å; D529-Q553 PolarHBondContact O-NE2 2.82Å; P530-Q553 VanDerWaalsContact C-NE2 3.35Å; P530-Q553 PolarHBondContact O-NE2 2.98Å; C532-Q553 WeakPolarHBondContact O-CG 3.24Å; C532-Q553 PolarHBondContact O-NE2 2.93Å; A533-Q553 HydrophobicContact CB-CB 3.9Å; A533-Q553 HydrophobicContact CB-CG 4.39Å; Q553-V555 HydrophobicContact CG-CG2 4.06Å
554	D	90.1	Very high	79.7	Confident	12 Å²	12	73.8 Å²	73.8	6%	0.064	36%	0.364	C	S	.	.			trans	-148.9	88	175.4	177.5	7.5	0	0	0	108.7	H557 G558 N559 Q563	D554-H557 WeakPolarHBondContact OD1-CA 3.5Å; D554-H557 WeakPolarHBondContact OD1-CB 3.38Å; D554-H557 IonicContact OD1-CD2 2.96Å; D554-H557 PolarHBondContact OD1-N 2.99Å; D554-G558 VanDerWaalsContact CG-N 3.27Å; D554-G558 WeakPolarHBondContact O-CA 3.17Å; D554-G558 PolarHBondContact O-N 2.93Å; D554-G558 PolarHBondContact OD1-N 3.1Å; D554-G558 PolarHBondContact OD2-N 2.87Å; D554-N559 PolarHBondContact OD2-N 2.83Å; D554-Q563 HydrophobicContact CB-CG 3.67Å
555	V	91.8	Very high	79.7	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-44.8	-179.6	177	0	0	0	0	109.8	A439 Y444 V460 L462 R528 P530 Q553	A439-V555 HydrophobicContact CB-CG2 3.95Å; Y444-V555 HydrophobicContact CD1-CG1 3.87Å; Y444-V555 HydrophobicContact CD2-CB 4.48Å; Y444-V555 HydrophobicContact CD2-CG1 4.14Å; Y444-V555 HydrophobicContact CE1-CB 4.25Å; Y444-V555 HydrophobicContact CE1-CG1 3.5Å; Y444-V555 HydrophobicContact CE2-CB 3.83Å; Y444-V555 HydrophobicContact CE2-CG1 3.81Å; Y444-V555 HydrophobicContact CE2-CG2 4.27Å; Y444-V555 HydrophobicContact CG-CG1 4.16Å; Y444-V555 VanDerWaalsContact CZ-CG1 3.47Å; V460-V555 HydrophobicContact CG2-CG1 4.49Å; L462-V555 HydrophobicContact CD2-CG1 4.17Å; R528-V555 PolarHBondContact NE-O 2.92Å; R528-V555 PolarHBondContact NH2-O 2.96Å; P530-V555 HydrophobicContact CB-CG2 4.3Å; P530-V555 HydrophobicContact CG-CG1 3.98Å; P530-V555 HydrophobicContact CG-CG2 4.2Å; Q553-V555 HydrophobicContact CG-CG2 4.06Å
556	R	89.1	Confident	79.5	Confident	92 Å²	92	78.9 Å²	78.9	35%	0.347	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-43.3	-173.4	-164.4	170.8	-150.9	-167	3.2	113.8	D441 Y444 P463 N465 R528	D441-R556 WeakPolarHBondContact OD2-CB 3.33Å; D441-R556 PolarHBondContact OD2-N 3.48Å; D441-R556 VanDerWaalsContact OD2-N 3.11Å; Y444-R556 WeakPolarHBondContact OH-CB 3.26Å; Y444-R556 PolarHBondContact OH-N 2.95Å; P463-R556 PolarHBondContact O-NE 3.02Å; P463-R556 PolarHBondContact O-NH2 3.28Å; N465-R556 PolarHBondContact OD1-NH2 3.32Å; R528-R556 PolarHBondContact NH2-O 3.19Å
557	H	87.9	Confident	79.5	Confident	116 Å²	116	77.9 Å²	77.9	54%	0.537	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-22.5	-173.9	-57.1	-66.9	0	0	0	113.2	D554 N559 N648	D554-H557 WeakPolarHBondContact OD1-CA 3.5Å; D554-H557 WeakPolarHBondContact OD1-CB 3.38Å; D554-H557 IonicContact OD1-CD2 2.96Å; D554-H557 PolarHBondContact OD1-N 2.99Å; H557-N559 PolarHBondContact O-N 3.03Å; H557-N648 PolarHBondContact O-ND2 3.17Å
558	G	88.5	Confident	79.5	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	35%	0.346	C	S	.	.			trans	54.2	48.2	-179.7	0	0	0	0	0	113.1	D554 P560 N648	D554-G558 VanDerWaalsContact CG-N 3.27Å; D554-G558 WeakPolarHBondContact O-CA 3.17Å; D554-G558 PolarHBondContact O-N 2.93Å; D554-G558 PolarHBondContact OD1-N 3.1Å; D554-G558 PolarHBondContact OD2-N 2.87Å; G558-P560 VanDerWaalsContact O-CD 3.26Å; G558-P560 WeakPolarHBondContact O-CD 3.41Å; G558-N648 PolarHBondContact O-ND2 3.09Å
559	N	87.6	Confident	79.3	Confident	53 Å²	53	65.8 Å²	65.8	28%	0.283	32%	0.322	S	S	.	.			trans	-105.5	101.4	-174.2	-174	-9.9	0	0	0	113	C525 D554 H557 L561 T562 Q563	C525-N559 VanDerWaalsContact SG-C 3.6Å; D554-N559 PolarHBondContact OD2-N 2.83Å; H557-N559 PolarHBondContact O-N 3.03Å; N559-L561 VanDerWaalsContact C-N 3.3Å; N559-L561 PolarHBondContact O-N 2.81Å; N559-L561 WeakPolarHBondContact OD1-CB 3.42Å; N559-L561 PolarHBondContact OD1-N 2.85Å; N559-T562 PolarHBondContact O-OG1 2.98Å; N559-Q563 WeakPolarHBondContact O-CG 3.29Å; N559-Q563 PolarHBondContact O-N 3.33Å
560	P	87.8	Confident	78.7	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-64.9	-26.6	177	-24.9	35.3	0	0	0	114.9	A522 C525 L526 G558 T562 C564 F650	A522-P560 HydrophobicContact CB-CB 3.67Å; A522-P560 HydrophobicContact CB-CG 3.93Å; C525-P560 HydrophobicContact CB-CG 4.25Å; L526-P560 HydrophobicContact CD1-CG 4.16Å; L526-P560 HydrophobicContact CD2-CG 3.88Å; L526-P560 HydrophobicContact CG-CG 3.65Å; G558-P560 VanDerWaalsContact O-CD 3.26Å; G558-P560 WeakPolarHBondContact O-CD 3.41Å; P560-T562 VanDerWaalsContact C-N 3.27Å; P560-T562 PolarHBondContact O-N 2.86Å; P560-C564 WeakPolarHBondContact O-CA 3.38Å; P560-C564 VanDerWaalsContact O-CB 3.26Å; P560-C564 WeakPolarHBondContact O-CB 3.13Å; P560-C564 PolarHBondContact O-N 2.7Å; P560-F650 HydrophobicContact CB-CD2 3.78Å; P560-F650 HydrophobicContact CB-CE2 3.77Å; P560-F650 HydrophobicContact CB-CG 4.22Å; P560-F650 HydrophobicContact CB-CZ 4.2Å; P560-F650 HydrophobicContact CG-CB 4.29Å; P560-F650 HydrophobicContact CG-CD1 4.21Å; P560-F650 HydrophobicContact CG-CD2 3.97Å; P560-F650 HydrophobicContact CG-CE2 4.33Å; P560-F650 HydrophobicContact CG-CG 3.89Å
561	L	84.6	Confident	78.1	Confident	89 Å²	89	63.5 Å²	63.5	47%	0.466	32%	0.323	S	S	.	.	H	α-helix	trans	-69.6	-26.1	-173.4	-63.8	174.3	0	0	0	113	N559 R565 F650	N559-L561 VanDerWaalsContact C-N 3.3Å; N559-L561 PolarHBondContact O-N 2.81Å; N559-L561 WeakPolarHBondContact OD1-CB 3.42Å; N559-L561 PolarHBondContact OD1-N 2.85Å; L561-R565 WeakPolarHBondContact O-CG 3.48Å; L561-R565 PolarHBondContact O-NE 3.35Å; L561-F650 HydrophobicContact CD2-CD2 3.91Å; L561-F650 HydrophobicContact CD2-CE2 4Å; L561-F650 HydrophobicContact CG-CD2 4.06Å
562	T	84	Confident	76.7	Confident	73 Å²	73	62.7 Å²	62.7	45%	0.448	32%	0.32	S	S	.	.	H	α-helix	trans	-93.4	-43.5	175.2	52.7	0	0	0	0	110.6	N559 P560	N559-T562 PolarHBondContact O-OG1 2.98Å; P560-T562 VanDerWaalsContact C-N 3.27Å; P560-T562 PolarHBondContact O-N 2.86Å
563	Q	85.4	Confident	75.1	Confident	54 Å²	54	68.5 Å²	68.5	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-76.7	-37	-173.4	-64	-58.7	-24.6	0	0	113.9	R552 D554 N559	R552-Q563 HydrophobicContact CB-CB 4.33Å; R552-Q563 WeakPolarHBondContact CD-O 3.4Å; R552-Q563 VanDerWaalsContact CG-O 3.24Å; R552-Q563 WeakPolarHBondContact CG-O 3.48Å; R552-Q563 PolarHBondContact NE-O 2.87Å; D554-Q563 HydrophobicContact CB-CG 3.67Å; N559-Q563 WeakPolarHBondContact O-CG 3.29Å; N559-Q563 PolarHBondContact O-N 3.33Å
564	C	83.8	Confident	73.7	Confident	2 Å²	2	72.9 Å²	72.9	1%	0.014	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	18.9	-171.3	-60.9	0	0	0	0	114	C521 P560 G566 F567	C521-C564 HydrophobicContact CB-CB 3.75Å; C521-C564 WeakPolarHBondContact CB-SG 3.41Å; C521-C564 PolarHBondContact O-SG 3.15Å; C521-C564 VanDerWaalsContact SG-CA 3.54Å; C521-C564 WeakPolarHBondContact SG-CB 3.49Å; C521-C564 CovalentContact SG-SG 2.04Å; C521-C564 PolarHBondContact SG-SG 3.06Å; P560-C564 WeakPolarHBondContact O-CA 3.38Å; P560-C564 VanDerWaalsContact O-CB 3.26Å; P560-C564 WeakPolarHBondContact O-CB 3.13Å; P560-C564 PolarHBondContact O-N 2.7Å; C564-G566 PolarHBondContact O-N 3.11Å; C564-F567 PolarHBondContact O-N 2.8Å; C564-F567 VanDerWaalsContact O-N 3.08Å
565	R	76.3	Confident	72.7	Confident	186 Å²	186	73.3 Å²	73.3	70%	0.702	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	122.8	176.3	-67.6	-170.9	179.2	-172	1.1	110.2	L561	L561-R565 WeakPolarHBondContact O-CG 3.48Å; L561-R565 PolarHBondContact O-NE 3.35Å
566	G	66.4	Low	71.9	Confident	80 Å²	80	77.2 Å²	77.2	83%	0.825	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-10.1	-178.7	0	0	0	0	0	115.4	C564	C564-G566 PolarHBondContact O-N 3.11Å
567	F	61.3	Low	71.7	Confident	59 Å²	59	77.9 Å²	77.9	26%	0.259	41%	0.41	S	S	.	.	S	Bend	trans	-108.7	112.6	176.8	-67.5	-86	0	0	0	110.3	C521 W534 C564 L569	C521-F567 HydrophobicContact CB-CB 4.22Å; W534-F567 AromaticContact NE1-CD1 3.79Å; C564-F567 PolarHBondContact O-N 2.8Å; C564-F567 VanDerWaalsContact O-N 3.08Å; F567-L569 PolarHBondContact O-N 3.49Å
568	N	58.2	Low	71.8	Confident	94 Å²	94	77.1 Å²	77.1	50%	0.503	41%	0.409	S	S	.	.	S	Bend	trans	46.9	18.2	166.9	-76.9	-24.2	0	0	0	119.9	K570 A571 Y572	N568-K570 PolarHBondContact O-N 2.86Å; N568-A571 HydrophobicContact CB-CB 4.36Å; N568-A571 PolarHBondContact O-N 3.07Å; N568-A571 VanDerWaalsContact O-N 3.08Å; N568-Y572 WeakPolarHBondContact O-CD2 3.47Å; N568-Y572 PolarHBondContact O-N 2.88Å
569	L	54.6	Low	72	Confident	59 Å²	59	80.2 Å²	80.2	31%	0.309	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.1	172.1	-76.4	161.6	0	0	0	113.5	F567 R573	F567-L569 PolarHBondContact O-N 3.49Å; L569-R573 WeakPolarHBondContact O-CG 3.45Å; L569-R573 PolarHBondContact O-N 2.95Å
570	K	49.3	Very low	72.3	Confident	180 Å²	180	80.4 Å²	80.4	78%	0.783	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-36.5	175.9	-71.1	-174	179.9	179.7	0	113.5	N568 Y572 R573	N568-K570 PolarHBondContact O-N 2.86Å; K570-Y572 VanDerWaalsContact C-N 3.33Å; K570-R573 PolarHBondContact O-N 3.09Å
571	A	52.1	Low	72.5	Confident	60 Å²	60	86.6 Å²	86.6	50%	0.496	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-38.8	174.4	0	0	0	0	0	110.9	N568 R573 N574	N568-A571 HydrophobicContact CB-CB 4.36Å; N568-A571 PolarHBondContact O-N 3.07Å; N568-A571 VanDerWaalsContact O-N 3.08Å; A571-R573 VanDerWaalsContact C-N 3.27Å; A571-R573 PolarHBondContact O-N 3.44Å; A571-N574 CarbonylContact O-C 3.55Å; A571-N574 VanDerWaalsContact O-C 3.28Å; A571-N574 PolarHBondContact O-N 2.9Å
572	Y	54	Low	72.8	Confident	21 Å²	21	82.4 Å²	82.4	8%	0.082	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.6	175.3	-77.3	-65.6	0	0	0	115.4	A520 C521 A522 D523 N568 K570 N574 Q652	A520-Y572 WeakPolarHBondContact CA-OH 3.4Å; A520-Y572 HydrophobicContact CB-CE1 4.04Å; A520-Y572 HydrophobicContact CB-CE2 3.53Å; A520-Y572 WeakPolarHBondContact CB-OH 3.37Å; A520-Y572 PolarHBondContact O-OH 3.06Å; C521-Y572 PolarHBondContact N-OH 3.31Å; A522-Y572 HydrophobicContact CB-CE1 4.2Å; A522-Y572 HydrophobicContact CB-CE2 3.82Å; A522-Y572 WeakPolarHBondContact CB-OH 3.27Å; A522-Y572 PolarHBondContact N-OH 3.08Å; D523-Y572 PolarHBondContact N-OH 3.49Å; D523-Y572 VanDerWaalsContact N-OH 3.12Å; D523-Y572 VanDerWaalsContact OD1-CE1 3.3Å; D523-Y572 WeakPolarHBondContact OD1-CE1 3.02Å; D523-Y572 PolarHBondContact OD1-OH 2.71Å; N568-Y572 WeakPolarHBondContact O-CD2 3.47Å; N568-Y572 PolarHBondContact O-N 2.88Å; K570-Y572 VanDerWaalsContact C-N 3.33Å; Y572-N574 VanDerWaalsContact C-N 3.34Å; Y572-Q652 HydrophobicContact CD1-CG 3.88Å; Y572-Q652 VanDerWaalsContact CD1-NE2 3.29Å; Y572-Q652 VanDerWaalsContact CE1-NE2 3.34Å
573	R	53.8	Low	73.1	Confident	191 Å²	191	80.6 Å²	80.6	72%	0.721	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-18.9	173.6	-74.6	180	177.9	-168.9	0.3	112.2	L569 K570 A571	L569-R573 WeakPolarHBondContact O-CG 3.45Å; L569-R573 PolarHBondContact O-N 2.95Å; K570-R573 PolarHBondContact O-N 3.09Å; A571-R573 VanDerWaalsContact C-N 3.27Å; A571-R573 PolarHBondContact O-N 3.44Å
574	N	60.5	Low	73.4	Confident	108 Å²	108	81.8 Å²	81.8	58%	0.578	42%	0.423	S	S	*	.			trans	-126.7	70.1	-173.3	-70.1	-23.4	0	0	0	111.2	A571 Y572 K656	A571-N574 CarbonylContact O-C 3.55Å; A571-N574 VanDerWaalsContact O-C 3.28Å; A571-N574 PolarHBondContact O-N 2.9Å; Y572-N574 VanDerWaalsContact C-N 3.34Å; N574-K656 PolarHBondContact OD1-NZ 2.71Å
575	A	70.2	Confident	73.7	Confident	22 Å²	22	87 Å²	87	18%	0.182	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-50	141.8	156.8	0	0	0	0	0	109.3	E577 T653 K656	A575-E577 PolarHBondContact O-N 2.83Å; A575-T653 HydrophobicContact CB-CG2 4.26Å; A575-K656 HydrophobicContact CB-CG 4.32Å; A575-K656 WeakPolarHBondContact O-CD 3.35Å
576	A	73.9	Confident	74.5	Confident	81 Å²	81	82.6 Å²	82.6	67%	0.669	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-56.6	138.9	177	0	0	0	0	0	109.6
577	E	86.6	Confident	75.7	Confident	106 Å²	106	83.5 Å²	83.5	50%	0.495	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.7	176.6	-173.9	176.2	150.5	0	0	109.1	A575 L640 K656 N658	A575-E577 PolarHBondContact O-N 2.83Å; E577-L640 HydrophobicContact CG-CD1 3.94Å; E577-K656 WeakPolarHBondContact CA-O 3.41Å; E577-K656 HydrophobicContact CB-CB 4.46Å; E577-N658 HydrophobicContact CG-CB 3.98Å; E577-N658 VanDerWaalsContact OE1-CB 3.25Å; E577-N658 WeakPolarHBondContact OE1-CB 3.23Å; E577-N658 PolarHBondContact OE1-ND2 3.46Å
578	I	89.4	Confident	77.3	Confident	100 Å²	100	81.4 Å²	81.4	51%	0.513	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.2	178.6	-52.4	165.1	0	0	0	107.1	K656 I657 N658	I578-K656 PolarHBondContact N-O 3.34Å; I578-I657 CarbonylContact O-C 3.6Å; I578-I657 WeakPolarHBondContact O-CA 3.42Å; I578-N658 PolarHBondContact O-N 3.13Å
579	V	92.1	Very high	79	Confident	66 Å²	66	80.6 Å²	80.6	40%	0.4	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.2	174.3	-176.1	0	0	0	0	108.6	Y581 N658 K660	V579-Y581 HydrophobicContact CG1-CE1 4.45Å; V579-Y581 HydrophobicContact CG1-CE2 3.81Å; V579-N658 WeakPolarHBondContact CA-O 3.46Å; V579-N658 HydrophobicContact CG2-CB 4.33Å; V579-K660 HydrophobicContact CG1-CD 4.01Å; V579-K660 HydrophobicContact CG1-CG 4.37Å
580	Q	93.4	Very high	80.9	Confident	56 Å²	56	77.8 Å²	77.8	26%	0.262	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.7	177.1	-168.1	174.7	-4.2	0	0	109.7	F589 I657 N658 F659 K660	Q580-F589 PolarHBondContact NE2-O 2.91Å; Q580-I657 HydrophobicContact CB-CG2 3.76Å; Q580-N658 PolarHBondContact N-O 3.17Å; Q580-F659 HydrophobicContact CB-CD2 4.49Å; Q580-F659 WeakPolarHBondContact O-CA 3.37Å; Q580-K660 PolarHBondContact O-N 3.17Å
581	Y	91.9	Very high	82.9	Confident	132 Å²	132	75.7 Å²	75.7	52%	0.518	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.4	-179	-62.5	-88.8	0	0	0	110.4	V579 K660 L662	V579-Y581 HydrophobicContact CG1-CE1 4.45Å; V579-Y581 HydrophobicContact CG1-CE2 3.81Å; Y581-K660 WeakPolarHBondContact CA-O 3.5Å; Y581-K660 HydrophobicContact CD1-CB 3.72Å; Y581-K660 HydrophobicContact CD1-CD 4.41Å; Y581-K660 HydrophobicContact CE1-CB 3.84Å; Y581-K660 HydrophobicContact CE1-CD 3.66Å; Y581-K660 HydrophobicContact CE1-CG 4.33Å; Y581-L662 HydrophobicContact CD1-CD1 4.07Å; Y581-L662 HydrophobicContact CD1-CD2 4.18Å; Y581-L662 HydrophobicContact CD1-CG 4.11Å; Y581-L662 HydrophobicContact CG-CD1 4.37Å
582	G	91.6	Very high	84.7	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.7	170.1	0	0	0	0	0	110.4	K660 V661 L662	G582-K660 PolarHBondContact N-O 2.85Å; G582-V661 CarbonylContact O-C 3.47Å; G582-V661 WeakPolarHBondContact O-CA 3.28Å; G582-L662 PolarHBondContact O-N 2.77Å
583	V	91.4	Very high	86.1	Confident	35 Å²	35	74.3 Å²	74.3	21%	0.212	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.5	176.3	-174.6	0	0	0	0	108.7	N585 N586 V667	V583-N585 PolarHBondContact O-N 3.43Å; V583-N586 HydrophobicContact CB-CB 4.23Å; V583-N586 WeakPolarHBondContact O-CB 3.38Å; V583-N586 PolarHBondContact O-N 2.88Å; V583-V667 HydrophobicContact CG1-CG2 4.08Å; V583-V667 HydrophobicContact CG2-CG2 3.93Å
584	K	91.1	Very high	87.5	Confident	79 Å²	79	66.5 Å²	66.5	34%	0.343	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	138.8	177.2	-170.8	174.2	-179.4	-177.7	0	111	N586 V633 V661 L662 D663	K584-N586 PolarHBondContact O-N 3.23Å; K584-N586 VanDerWaalsContact O-N 3.13Å; K584-V633 WeakPolarHBondContact CA-O 3.06Å; K584-V661 HydrophobicContact CB-CG1 4.32Å; K584-L662 PolarHBondContact N-O 3.4Å; K584-D663 WeakPolarHBondContact CD-OD1 3.13Å; K584-D663 IonicContact NZ-OD1 3.62Å; K584-D663 PolarHBondContact NZ-OD1 3Å
585	N	90.1	Very high	88.4	Confident	112 Å²	112	68.4 Å²	68.4	60%	0.599	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	-6.3	-174.7	-56	-30.1	0	0	0	116.7	V583 V633	V583-N585 PolarHBondContact O-N 3.43Å; N585-V633 PolarHBondContact N-O 2.93Å
586	N	91.7	Very high	88.9	Confident	92 Å²	92	67.5 Å²	67.5	49%	0.492	36%	0.355	S	S	.	.	S	Bend	trans	-87.4	169.5	171.5	-78.4	-5.6	0	0	0	111.9	V583 K584 S632 V633	V583-N586 HydrophobicContact CB-CB 4.23Å; V583-N586 WeakPolarHBondContact O-CB 3.38Å; V583-N586 PolarHBondContact O-N 2.88Å; K584-N586 PolarHBondContact O-N 3.23Å; K584-N586 VanDerWaalsContact O-N 3.13Å; N586-S632 WeakPolarHBondContact O-CA 3.33Å; N586-V633 WeakPolarHBondContact O-CG2 3.45Å; N586-V633 PolarHBondContact O-N 3.36Å
587	T	93.2	Very high	89.4	Confident	99 Å²	99	66.6 Å²	66.6	61%	0.607	34%	0.343	S	S	*	.			trans	-82.9	144	171.3	57.2	0	0	0	0	109.8	I630 R631	T587-I630 CarbonylContact C-O 3.58Å; T587-I630 VanDerWaalsContact CA-O 3.31Å; T587-I630 WeakPolarHBondContact CA-O 3.11Å; T587-R631 WeakPolarHBondContact CG2-O 3.45Å
588	T	94.1	Very high	89.3	Confident	16 Å²	16	65.6 Å²	65.6	10%	0.098	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	139	173.6	-58.9	0	0	0	0	109.2	L590 I630 V633 F659	T588-L590 HydrophobicContact CG2-CD2 4.13Å; T588-I630 PolarHBondContact N-O 3.09Å; T588-I630 PolarHBondContact O-N 2.99Å; T588-V633 WeakPolarHBondContact OG1-CG2 3.05Å; T588-F659 HydrophobicContact CG2-CE2 3.61Å; T588-F659 HydrophobicContact CG2-CZ 4.06Å
589	F	94.6	Very high	89.1	Confident	76 Å²	76	61.6 Å²	61.6	33%	0.333	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.3	176.2	-175.2	-110.9	0	0	0	110.4	Q580 E591 T624 Q626 L629	Q580-F589 PolarHBondContact NE2-O 2.91Å; F589-E591 HydrophobicContact CD1-CB 4.35Å; F589-E591 HydrophobicContact CE1-CB 4.1Å; F589-E591 HydrophobicContact CE1-CG 4.26Å; F589-T624 HydrophobicContact CE2-CG2 4.47Å; F589-T624 WeakPolarHBondContact CE2-OG1 3.47Å; F589-Q626 HydrophobicContact CE1-CB 4.49Å; F589-Q626 HydrophobicContact CZ-CB 3.89Å; F589-Q626 WeakPolarHBondContact CZ-O 3.46Å; F589-L629 HydrophobicContact CB-CD1 4.33Å; F589-L629 HydrophobicContact CD2-CB 4.06Å; F589-L629 HydrophobicContact CD2-CD1 4.23Å
590	L	94	Very high	89	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	105.2	173.4	-50.7	-174.7	0	0	0	108	T588 W603 G627 L628 I630 Y641 I657 F659	T588-L590 HydrophobicContact CG2-CD2 4.13Å; L590-W603 HydrophobicContact CB-CH2 4.03Å; L590-G627 CarbonylContact O-C 3.49Å; L590-G627 WeakPolarHBondContact O-CA 3.49Å; L590-L628 HydrophobicContact CB-CB 4.23Å; L590-L628 HydrophobicContact CD1-CD2 4.23Å; L590-L628 PolarHBondContact N-O 2.74Å; L590-L628 PolarHBondContact O-N 2.84Å; L590-I630 HydrophobicContact CD1-CD1 4.2Å; L590-I630 HydrophobicContact CG-CD1 4.46Å; L590-Y641 HydrophobicContact CD1-CD1 3.82Å; L590-Y641 HydrophobicContact CD1-CD2 3.84Å; L590-Y641 HydrophobicContact CD1-CE1 4.06Å; L590-Y641 HydrophobicContact CD1-CE2 4.09Å; L590-Y641 HydrophobicContact CD1-CG 3.72Å; L590-I657 HydrophobicContact CB-CD1 3.88Å; L590-I657 HydrophobicContact CD2-CG2 4.23Å; L590-F659 HydrophobicContact CD2-CD2 3.72Å; L590-F659 HydrophobicContact CD2-CE2 4.1Å; L590-F659 HydrophobicContact CD2-CG 4.24Å
591	E	91.4	Very high	88.8	Confident	136 Å²	136	61.7 Å²	61.7	64%	0.636	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	132.2	-174.6	-170	176.5	176.1	0	0	111.6	F589	F589-E591 HydrophobicContact CD1-CB 4.35Å; F589-E591 HydrophobicContact CE1-CB 4.1Å; F589-E591 HydrophobicContact CE1-CG 4.26Å
592	C	89.4	Confident	88.7	Confident	6 Å²	6	59.5 Å²	59.5	4%	0.041	32%	0.318	C	S	.	.			trans	-161.7	100.2	171.6	-174.3	0	0	0	0	110.8	W603 Q626 G627 C643 I654	C592-W603 HydrophobicContact CB-CH2 3.49Å; C592-W603 VanDerWaalsContact CB-CH2 3.49Å; C592-W603 HydrophobicContact CB-CZ2 3.26Å; C592-Q626 CarbonylContact C-O 3.55Å; C592-Q626 VanDerWaalsContact C-O 3.24Å; C592-Q626 PolarHBondContact N-O 2.99Å; C592-Q626 CarbonylContact O-C 3.58Å; C592-G627 PolarHBondContact O-N 3.41Å; C592-C643 HydrophobicContact CB-CB 3.76Å; C592-C643 WeakPolarHBondContact CB-SG 3.22Å; C592-C643 WeakPolarHBondContact SG-CB 3.32Å; C592-C643 CovalentContact SG-SG 2Å; C592-C643 PolarHBondContact SG-SG 3.47Å; C592-I654 WeakPolarHBondContact SG-CD1 3.16Å; C592-I654 WeakPolarHBondContact SG-CG1 3.31Å
593	A	84.6	Confident	88.8	Confident	47 Å²	47	60.1 Å²	60.1	39%	0.388	32%	0.32	S	S	.	.			trans	-111.1	122.8	176	0	0	0	0	0	110.3
594	P	83.3	Confident	88.9	Confident	27 Å²	27	59.7 Å²	59.7	18%	0.175	32%	0.317	C	S	.	.			trans	-70.5	145.2	171.9	30	-33.9	0	0	0	109.4	S596 A599 I601 A645 I654	P594-S596 PolarHBondContact O-N 2.98Å; P594-A599 HydrophobicContact CB-CB 3.99Å; P594-A599 HydrophobicContact CG-CB 4.43Å; P594-I601 HydrophobicContact CG-CD1 3.91Å; P594-I601 HydrophobicContact CG-CG1 3.94Å; P594-A645 HydrophobicContact CB-CB 4.37Å; P594-I654 HydrophobicContact CB-CD1 4.16Å
595	K	77.8	Confident	89	Confident	147 Å²	147	57 Å²	57	64%	0.639	31%	0.306	S	S	*	.	S	Bend	trans	-62.3	-31.6	175.5	-69.3	-174.8	177.3	-179.2	0	113.3	D523	D523-K595 IonicContact OD2-NZ 2.95Å
596	S	81.9	Confident	89	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.028	29%	0.289	C	S	.	.			trans	-103	126.4	178.7	176.8	0	0	0	0	109.3	P594 Q598 A599 E647	P594-S596 PolarHBondContact O-N 2.98Å; S596-Q598 PolarHBondContact O-N 2.79Å; S596-Q598 WeakPolarHBondContact OG-CB 3.39Å; S596-Q598 PolarHBondContact OG-N 2.63Å; S596-A599 WeakPolarHBondContact O-CB 3.4Å; S596-A599 PolarHBondContact O-N 2.92Å; S596-E647 VanDerWaalsContact CB-OE1 3.23Å; S596-E647 WeakPolarHBondContact CB-OE1 3.34Å; S596-E647 PolarHBondContact OG-OE1 3.12Å
597	P	84.4	Confident	88.8	Confident	62 Å²	62	53.8 Å²	53.8	40%	0.403	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.8	172.9	29.3	-32.9	0	0	0	112.4	Q26 A27 R28 A599	Q26-P597 HydrophobicContact CB-CG 4.25Å; A27-P597 WeakPolarHBondContact O-CG 3.36Å; R28-P597 WeakPolarHBondContact O-CD 3.48Å; P597-A599 VanDerWaalsContact C-N 3.25Å; P597-A599 PolarHBondContact O-N 2.72Å
598	Q	83.3	Confident	88	Confident	85 Å²	85	56.8 Å²	56.8	40%	0.397	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-7.9	175.7	-54.8	176	-0.9	0	0	112.3	Q26 S596	Q26-Q598 PolarHBondContact O-NE2 3.09Å; S596-Q598 PolarHBondContact O-N 2.79Å; S596-Q598 WeakPolarHBondContact OG-CB 3.39Å; S596-Q598 PolarHBondContact OG-N 2.63Å
599	A	86.7	Confident	86.9	Confident	16 Å²	16	66.2 Å²	66.2	13%	0.132	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-86.9	137.9	179.5	0	0	0	0	0	112	P594 S596 P597 A645 T646 E647	P594-A599 HydrophobicContact CB-CB 3.99Å; P594-A599 HydrophobicContact CG-CB 4.43Å; S596-A599 WeakPolarHBondContact O-CB 3.4Å; S596-A599 PolarHBondContact O-N 2.92Å; P597-A599 VanDerWaalsContact C-N 3.25Å; P597-A599 PolarHBondContact O-N 2.72Å; A599-A645 HydrophobicContact CB-CB 4.36Å; A599-T646 WeakPolarHBondContact CA-O 3.39Å; A599-E647 HydrophobicContact CB-CB 4.01Å
600	S	88.7	Confident	85.9	Confident	76 Å²	76	66.1 Å²	66.1	53%	0.531	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	139	172.1	63.2	0	0	0	0	111.4	A645 T646	S600-A645 CarbonylContact O-C 3.56Å; S600-A645 WeakPolarHBondContact O-CA 3.34Å; S600-T646 PolarHBondContact N-O 3.25Å; S600-T646 PolarHBondContact O-N 2.88Å; S600-T646 PolarHBondContact OG-O 3.27Å
601	I	89.3	Confident	85.5	Confident	48 Å²	48	76.4 Å²	76.4	25%	0.246	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	137.4	-177.4	-54	171.5	0	0	0	110.2	P594 C643 I644	P594-I601 HydrophobicContact CG-CD1 3.91Å; P594-I601 HydrophobicContact CG-CG1 3.94Å; I601-C643 WeakPolarHBondContact CG2-SG 3.45Å; I601-I644 CarbonylContact C-O 3.51Å; I601-I644 WeakPolarHBondContact CA-O 3.34Å
602	K	91.1	Very high	85.4	Confident	85 Å²	85	75.8 Å²	75.8	37%	0.37	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.5	170.7	-174.5	170.7	-178.7	144.2	0	110.7	L604 E614 I644	K602-L604 HydrophobicContact CD-CD2 4.42Å; K602-L604 HydrophobicContact CG-CD2 4.33Å; K602-E614 WeakPolarHBondContact CE-OE1 3.02Å; K602-E614 VanDerWaalsContact CE-OE2 3.26Å; K602-E614 WeakPolarHBondContact CE-OE2 3.25Å; K602-E614 IonicContact NZ-OE1 3.85Å; K602-E614 PolarHBondContact NZ-OE1 3.01Å; K602-E614 IonicContact NZ-OE2 2.78Å; K602-E614 PolarHBondContact NZ-OE2 3.5Å; K602-I644 PolarHBondContact N-O 3.42Å; K602-I644 PolarHBondContact O-N 2.75Å
603	W	93.1	Very high	85.4	Confident	14 Å²	14	81.2 Å²	81.2	5%	0.053	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.3	177.6	-73.1	96.3	0	0	0	111.7	L590 C592 V615 L628 Y641 H642 C643 I657	L590-W603 HydrophobicContact CB-CH2 4.03Å; C592-W603 HydrophobicContact CB-CH2 3.49Å; C592-W603 VanDerWaalsContact CB-CH2 3.49Å; C592-W603 HydrophobicContact CB-CZ2 3.26Å; W603-V615 HydrophobicContact CB-CB 4.01Å; W603-V615 HydrophobicContact CB-CG2 3.78Å; W603-V615 PolarHBondContact O-N 3.37Å; W603-L628 HydrophobicContact CD2-CB 4.15Å; W603-L628 HydrophobicContact CD2-CD2 4.45Å; W603-L628 HydrophobicContact CG-CD1 4.34Å; W603-L628 HydrophobicContact CH2-CB 4.36Å; W603-L628 HydrophobicContact CZ2-CB 3.8Å; W603-Y641 HydrophobicContact CE3-CD1 4.31Å; W603-H642 WeakPolarHBondContact CA-O 3.29Å; W603-C643 HydrophobicContact CD2-CB 4.25Å; W603-C643 HydrophobicContact CE3-CB 3.93Å; W603-C643 HydrophobicContact CH2-CB 3.84Å; W603-C643 HydrophobicContact CZ2-CB 4.13Å; W603-C643 HydrophobicContact CZ3-CB 3.72Å; W603-I657 HydrophobicContact CH2-CD1 3.91Å; W603-I657 HydrophobicContact CZ3-CD1 4.14Å
604	L	93.1	Very high	85.8	Confident	26 Å²	26	84.6 Å²	84.6	14%	0.136	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.9	171.9	-51.8	-179.2	0	0	0	110.3	K602 R612 K613 E614 Y641 H642 I644	K602-L604 HydrophobicContact CD-CD2 4.42Å; K602-L604 HydrophobicContact CG-CD2 4.33Å; L604-R612 HydrophobicContact CB-CB 4.35Å; L604-R612 HydrophobicContact CD1-CB 4.17Å; L604-K613 CarbonylContact C-O 3.46Å; L604-K613 VanDerWaalsContact CA-O 3.28Å; L604-K613 WeakPolarHBondContact CA-O 3.46Å; L604-E614 HydrophobicContact CD2-CB 4.14Å; L604-Y641 CarbonylContact O-C 3.54Å; L604-Y641 WeakPolarHBondContact O-CA 3.47Å; L604-H642 HydrophobicContact CB-CB 4.26Å; L604-H642 PolarHBondContact N-O 3.14Å; L604-H642 PolarHBondContact O-N 3.49Å; L604-I644 HydrophobicContact CD1-CD1 3.43Å; L604-I644 VanDerWaalsContact CD1-CD1 3.43Å; L604-I644 HydrophobicContact CG-CD1 3.99Å
605	L	92.9	Very high	86.2	Confident	24 Å²	24	84.1 Å²	84.1	13%	0.126	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.6	172.2	179.2	57	0	0	0	109.8	K607 K613 V615 Y641	L605-K607 HydrophobicContact CD2-CG 4.27Å; L605-K607 HydrophobicContact CG-CG 4.12Å; L605-K613 PolarHBondContact N-O 3.18Å; L605-K613 PolarHBondContact O-N 3.47Å; L605-V615 HydrophobicContact CB-CG2 3.97Å; L605-Y641 HydrophobicContact CB-CE1 4.42Å; L605-Y641 HydrophobicContact CD1-CD1 4.26Å; L605-Y641 HydrophobicContact CD1-CD2 3.8Å; L605-Y641 HydrophobicContact CD1-CE1 4.04Å; L605-Y641 HydrophobicContact CD1-CE2 3.53Å; L605-Y641 HydrophobicContact CD1-CG 4.14Å; L605-Y641 HydrophobicContact CD2-CE1 4.49Å
606	Q	91.2	Very high	86.8	Confident	51 Å²	51	85.7 Å²	85.7	24%	0.238	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.1	170.5	-173.1	174.5	-15.9	0	0	108.7	R612 L640 H642	Q606-R612 HydrophobicContact CB-CG 4.16Å; Q606-R612 HydrophobicContact CG-CG 4.33Å; Q606-L640 HydrophobicContact CB-CB 4.32Å; Q606-L640 PolarHBondContact N-O 3.05Å; Q606-L640 PolarHBondContact O-N 3.18Å; Q606-H642 PolarHBondContact OE1-CE1 3.21Å; Q606-H642 VanDerWaalsContact OE1-CE1 3.25Å
607	K	87	Confident	87.2	Confident	85 Å²	85	90.5 Å²	90.5	37%	0.37	43%	0.428	S	S	.	.			trans	-99.5	126.3	173	-60.6	-172.4	175.5	-171.3	0	108.3	L605 K609 D610 S636	L605-K607 HydrophobicContact CD2-CG 4.27Å; L605-K607 HydrophobicContact CG-CG 4.12Å; K607-K609 PolarHBondContact O-N 3.45Å; K607-D610 WeakPolarHBondContact O-CA 3.19Å; K607-D610 WeakPolarHBondContact O-CB 3.47Å; K607-D610 PolarHBondContact O-N 2.92Å; K607-S636 WeakPolarHBondContact CE-O 3.2Å; K607-S636 PolarHBondContact NZ-O 2.96Å
608	D	75.6	Confident	87.6	Confident	161 Å²	161	91.5 Å²	91.5	86%	0.861	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	38	-134.4	179.3	-66.7	-34.9	0	0	0	114.3	D610	D608-D610 PolarHBondContact O-N 2.67Å
609	K	70.5	Confident	87.9	Confident	215 Å²	215	95.7 Å²	95.7	94%	0.935	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	9.7	176.1	-64.8	-175.2	180	178.2	0	113.6	K607	K607-K609 PolarHBondContact O-N 3.45Å
610	D	75.6	Confident	88.2	Confident	74 Å²	74	97.1 Å²	97.1	40%	0.396	45%	0.451	S	S	.	.	S	Bend	trans	-77.7	158	-179.2	-157.3	1.4	0	0	0	111.5	K607 D608 K613	K607-D610 WeakPolarHBondContact O-CA 3.19Å; K607-D610 WeakPolarHBondContact O-CB 3.47Å; K607-D610 PolarHBondContact O-N 2.92Å; D608-D610 PolarHBondContact O-N 2.67Å; D610-K613 IonicContact OD1-NZ 3.67Å; D610-K613 IonicContact OD2-NZ 3.56Å; D610-K613 PolarHBondContact OD2-NZ 3.34Å
611	R	84.5	Confident	88.4	Confident	216 Å²	216	94 Å²	94	82%	0.815	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-66.2	148.9	175.7	-70.9	-174.6	177.3	-178.7	0.4	110.1	K613	R611-K613 PolarHBondContact O-N 3.04Å
612	R	89	Confident	88.5	Confident	123 Å²	123	94.1 Å²	94.1	46%	0.464	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-59.3	123	171.7	-64	-178.8	-178.5	170.4	0.5	109.7	L604 Q606 H642	L604-R612 HydrophobicContact CB-CB 4.35Å; L604-R612 HydrophobicContact CD1-CB 4.17Å; Q606-R612 HydrophobicContact CB-CG 4.16Å; Q606-R612 HydrophobicContact CG-CG 4.33Å; R612-H642 PolarHBondContact NE-NE2 2.92Å; R612-H642 PolarHBondContact NH2-NE2 2.89Å
613	K	90.5	Very high	88.4	Confident	119 Å²	119	92.3 Å²	92.3	52%	0.517	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.9	178	-72	168.8	-176.5	164.1	0	109.5	L604 L605 D610 R611	L604-K613 CarbonylContact C-O 3.46Å; L604-K613 VanDerWaalsContact CA-O 3.28Å; L604-K613 WeakPolarHBondContact CA-O 3.46Å; L605-K613 PolarHBondContact N-O 3.18Å; L605-K613 PolarHBondContact O-N 3.47Å; D610-K613 IonicContact OD1-NZ 3.67Å; D610-K613 IonicContact OD2-NZ 3.56Å; D610-K613 PolarHBondContact OD2-NZ 3.34Å; R611-K613 PolarHBondContact O-N 3.04Å
614	E	91.6	Very high	88.1	Confident	119 Å²	119	94.2 Å²	94.2	56%	0.556	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	135.5	174.8	-177.4	163.5	-156.1	0	0	110.6	K602 L604 K616	K602-E614 WeakPolarHBondContact CE-OE1 3.02Å; K602-E614 VanDerWaalsContact CE-OE2 3.26Å; K602-E614 WeakPolarHBondContact CE-OE2 3.25Å; K602-E614 IonicContact NZ-OE1 3.85Å; K602-E614 PolarHBondContact NZ-OE1 3.01Å; K602-E614 IonicContact NZ-OE2 2.78Å; K602-E614 PolarHBondContact NZ-OE2 3.5Å; L604-E614 HydrophobicContact CD2-CB 4.14Å; E614-K616 PolarHBondContact O-N 3.33Å
615	V	91.4	Very high	87.5	Confident	17 Å²	17	97.4 Å²	97.4	10%	0.103	47%	0.467	C	S	.	.			trans	-67	122.3	177.1	177.3	0	0	0	0	108.5	W603 L605 L617 I621 L628 Y641	W603-V615 HydrophobicContact CB-CB 4.01Å; W603-V615 HydrophobicContact CB-CG2 3.78Å; W603-V615 PolarHBondContact O-N 3.37Å; L605-V615 HydrophobicContact CB-CG2 3.97Å; V615-L617 PolarHBondContact O-N 3.06Å; V615-I621 HydrophobicContact CG1-CG2 3.93Å; V615-L628 HydrophobicContact CG1-CD1 4.45Å; V615-L628 HydrophobicContact CG1-CD2 4.12Å; V615-Y641 HydrophobicContact CG2-CD1 4.1Å; V615-Y641 HydrophobicContact CG2-CE1 3.99Å
616	K	90.8	Very high	87.1	Confident	180 Å²	180	101.1 Å²	101.1	78%	0.783	48%	0.484	S	S	*	.			trans	-79.6	114.9	176.5	-65.7	-173.4	179.4	-175.7	0	109.5	E614	E614-K616 PolarHBondContact O-N 3.33Å
617	L	91.8	Very high	87	Confident	105 Å²	105	98.7 Å²	98.7	55%	0.55	47%	0.473	S	S	.	.			trans	-75.4	142.2	175.9	-55.3	179.7	0	0	0	110.5	V615 I621 A623 L628	V615-L617 PolarHBondContact O-N 3.06Å; L617-I621 WeakPolarHBondContact CA-O 3.24Å; L617-I621 HydrophobicContact CD2-CG2 4.24Å; L617-A623 HydrophobicContact CD1-CB 3.82Å; L617-A623 HydrophobicContact CD2-CB 3.88Å; L617-L628 HydrophobicContact CD2-CD1 3.97Å
618	N	91.3	Very high	87.4	Confident	83 Å²	83	94.6 Å²	94.6	44%	0.444	46%	0.455	S	S	.	.			trans	-157.2	-173.5	176.7	60.7	24.6	0	0	0	109.8	R620 I621	N618-R620 PolarHBondContact O-N 2.93Å; N618-R620 VanDerWaalsContact O-N 3.08Å; N618-R620 WeakPolarHBondContact OD1-CA 3.31Å; N618-R620 VanDerWaalsContact OD1-CB 3.32Å; N618-R620 WeakPolarHBondContact OD1-CB 3.04Å; N618-R620 PolarHBondContact OD1-N 2.52Å; N618-I621 PolarHBondContact N-O 3.22Å; N618-I621 CarbonylContact O-C 3.49Å; N618-I621 PolarHBondContact O-N 3.06Å; N618-I621 PolarHBondContact OD1-N 3.19Å
619	E	90.3	Very high	88.3	Confident	173 Å²	173	89.3 Å²	89.3	81%	0.808	43%	0.427	S	S	*	.	S	Bend	trans	-61.5	-20	180	-63.6	-172.8	169.1	0	0	114.1	R631	E619-R631 WeakPolarHBondContact O-CD 3.41Å; E619-R631 PolarHBondContact O-NH1 3.12Å
620	R	93.8	Very high	89.4	Confident	46 Å²	46	79.1 Å²	79.1	17%	0.174	38%	0.382	C	S	.	.	S	Bend	trans	-90.7	-38.6	178.1	-174.3	178.5	72.7	78.6	-5	112.4	N618 R631 S632 D637	N618-R620 PolarHBondContact O-N 2.93Å; N618-R620 VanDerWaalsContact O-N 3.08Å; N618-R620 WeakPolarHBondContact OD1-CA 3.31Å; N618-R620 VanDerWaalsContact OD1-CB 3.32Å; N618-R620 WeakPolarHBondContact OD1-CB 3.04Å; N618-R620 PolarHBondContact OD1-N 2.52Å; R620-R631 WeakPolarHBondContact O-CB 3.27Å; R620-R631 PolarHBondContact O-N 3.12Å; R620-S632 VanDerWaalsContact CD-O 3.28Å; R620-S632 WeakPolarHBondContact CD-O 3.44Å; R620-S632 PolarHBondContact NH1-O 2.89Å; R620-D637 IonicContact CZ-OD1 3.92Å; R620-D637 IonicContact CZ-OD2 2.98Å; R620-D637 IonicContact NH1-OD1 3.13Å; R620-D637 PolarHBondContact NH1-OD1 3.48Å; R620-D637 IonicContact NH1-OD2 2.7Å; R620-D637 PolarHBondContact NH1-OD2 3.23Å; R620-D637 IonicContact NH2-OD1 3.83Å; R620-D637 PolarHBondContact NH2-OD1 3.27Å; R620-D637 IonicContact NH2-OD2 2.69Å
621	I	92.6	Very high	90.3	Very high	11 Å²	11	81.7 Å²	81.7	6%	0.056	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	110.1	-177.5	-57.9	177.9	0	0	0	109.3	V615 L617 N618 L628 L629 I630	V615-I621 HydrophobicContact CG1-CG2 3.93Å; L617-I621 WeakPolarHBondContact CA-O 3.24Å; L617-I621 HydrophobicContact CD2-CG2 4.24Å; N618-I621 PolarHBondContact N-O 3.22Å; N618-I621 CarbonylContact O-C 3.49Å; N618-I621 PolarHBondContact O-N 3.06Å; N618-I621 PolarHBondContact OD1-N 3.19Å; I621-L628 HydrophobicContact CG2-CD1 3.7Å; I621-L628 HydrophobicContact CG2-CD2 4.08Å; I621-L628 HydrophobicContact CG2-CG 3.95Å; I621-L629 WeakPolarHBondContact CA-O 3.01Å; I621-I630 HydrophobicContact CG1-CG2 4.47Å
622	I	91.7	Very high	90.7	Very high	50 Å²	50	73.3 Å²	73.3	26%	0.256	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.4	-174.1	-59.3	176.8	0	0	0	109.4	L629 R631	I622-L629 HydrophobicContact CB-CB 4.48Å; I622-L629 PolarHBondContact N-O 3.38Å; I622-L629 PolarHBondContact O-N 2.88Å; I622-R631 VanDerWaalsContact CD1-NH2 3.3Å
623	A	88.9	Confident	90.9	Very high	47 Å²	47	67.4 Å²	67.4	39%	0.388	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132	168.7	0	0	0	0	0	109.8	L617 L628	L617-A623 HydrophobicContact CD1-CB 3.82Å; L617-A623 HydrophobicContact CD2-CB 3.88Å; A623-L628 HydrophobicContact CB-CD1 4.37Å
624	T	86.1	Confident	91	Very high	54 Å²	54	65.8 Å²	65.8	33%	0.331	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	169.7	171.7	74.9	0	0	0	0	109.5	F589 Q626 G627	F589-T624 HydrophobicContact CE2-CG2 4.47Å; F589-T624 WeakPolarHBondContact CE2-OG1 3.47Å; T624-Q626 PolarHBondContact O-N 3.31Å; T624-Q626 PolarHBondContact OG1-N 2.62Å; T624-G627 PolarHBondContact N-O 2.91Å; T624-G627 PolarHBondContact O-N 3.02Å; T624-G627 PolarHBondContact OG1-N 3.04Å; T624-G627 VanDerWaalsContact OG1-N 3.11Å; T624-G627 PolarHBondContact OG1-O 2.8Å
625	S	79.8	Confident	90.8	Very high	92 Å²	92	62.4 Å²	62.4	64%	0.643	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.8	173.2	50	0	0	0	0	113.6
626	Q	84.9	Confident	90.7	Very high	102 Å²	102	64.4 Å²	64.4	48%	0.477	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-7.5	-176.3	-60.6	-62.2	-34.9	0	0	112.7	F589 C592 T624	F589-Q626 HydrophobicContact CE1-CB 4.49Å; F589-Q626 HydrophobicContact CZ-CB 3.89Å; F589-Q626 WeakPolarHBondContact CZ-O 3.46Å; C592-Q626 CarbonylContact C-O 3.55Å; C592-Q626 VanDerWaalsContact C-O 3.24Å; C592-Q626 PolarHBondContact N-O 2.99Å; C592-Q626 CarbonylContact O-C 3.58Å; T624-Q626 PolarHBondContact O-N 3.31Å; T624-Q626 PolarHBondContact OG1-N 2.62Å
627	G	90.3	Very high	90.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-158.2	-176.6	0	0	0	0	0	115.8	L590 C592 T624	L590-G627 CarbonylContact O-C 3.49Å; L590-G627 WeakPolarHBondContact O-CA 3.49Å; C592-G627 PolarHBondContact O-N 3.41Å; T624-G627 PolarHBondContact N-O 2.91Å; T624-G627 PolarHBondContact O-N 3.02Å; T624-G627 PolarHBondContact OG1-N 3.04Å; T624-G627 VanDerWaalsContact OG1-N 3.11Å; T624-G627 PolarHBondContact OG1-O 2.8Å
628	L	93.8	Very high	90.8	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.5	179	-169.3	75	0	0	0	110.2	L590 W603 V615 L617 I621 A623 Y641	L590-L628 HydrophobicContact CB-CB 4.23Å; L590-L628 HydrophobicContact CD1-CD2 4.23Å; L590-L628 PolarHBondContact N-O 2.74Å; L590-L628 PolarHBondContact O-N 2.84Å; W603-L628 HydrophobicContact CD2-CB 4.15Å; W603-L628 HydrophobicContact CD2-CD2 4.45Å; W603-L628 HydrophobicContact CG-CD1 4.34Å; W603-L628 HydrophobicContact CH2-CB 4.36Å; W603-L628 HydrophobicContact CZ2-CB 3.8Å; V615-L628 HydrophobicContact CG1-CD1 4.45Å; V615-L628 HydrophobicContact CG1-CD2 4.12Å; L617-L628 HydrophobicContact CD2-CD1 3.97Å; I621-L628 HydrophobicContact CG2-CD1 3.7Å; I621-L628 HydrophobicContact CG2-CD2 4.08Å; I621-L628 HydrophobicContact CG2-CG 3.95Å; A623-L628 HydrophobicContact CB-CD1 4.37Å; L628-Y641 HydrophobicContact CD2-CD1 4.02Å; L628-Y641 HydrophobicContact CD2-CE1 3.82Å
629	L	94.3	Very high	90.9	Very high	50 Å²	50	52.6 Å²	52.6	26%	0.262	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118.3	176.2	-178.9	65.6	0	0	0	110.6	F589 I621 I622 R631	F589-L629 HydrophobicContact CB-CD1 4.33Å; F589-L629 HydrophobicContact CD2-CB 4.06Å; F589-L629 HydrophobicContact CD2-CD1 4.23Å; I621-L629 WeakPolarHBondContact CA-O 3.01Å; I622-L629 HydrophobicContact CB-CB 4.48Å; I622-L629 PolarHBondContact N-O 3.38Å; I622-L629 PolarHBondContact O-N 2.88Å; L629-R631 HydrophobicContact CD2-CG 4.24Å; L629-R631 HydrophobicContact CG-CG 4.32Å
630	I	95	Very high	91	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	104.5	171.8	-54.5	176.3	0	0	0	107.4	T587 T588 L590 I621 S632 V633 F659	T587-I630 CarbonylContact C-O 3.58Å; T587-I630 VanDerWaalsContact CA-O 3.31Å; T587-I630 WeakPolarHBondContact CA-O 3.11Å; T588-I630 PolarHBondContact N-O 3.09Å; T588-I630 PolarHBondContact O-N 2.99Å; L590-I630 HydrophobicContact CD1-CD1 4.2Å; L590-I630 HydrophobicContact CG-CD1 4.46Å; I621-I630 HydrophobicContact CG1-CG2 4.47Å; I630-S632 PolarHBondContact O-N 2.83Å; I630-V633 HydrophobicContact CB-CG2 4.36Å; I630-V633 HydrophobicContact CG2-CG2 3.88Å; I630-F659 HydrophobicContact CD1-CE1 4.19Å
631	R	93.8	Very high	91	Very high	129 Å²	129	43.8 Å²	43.8	49%	0.487	25%	0.251	S	S	.	.	S	Bend	trans	-70.9	-29.5	-174.4	-71.3	-178.7	171.8	167.3	-9.2	114.1	T587 E619 R620 I622 L629	T587-R631 WeakPolarHBondContact CG2-O 3.45Å; E619-R631 WeakPolarHBondContact O-CD 3.41Å; E619-R631 PolarHBondContact O-NH1 3.12Å; R620-R631 WeakPolarHBondContact O-CB 3.27Å; R620-R631 PolarHBondContact O-N 3.12Å; I622-R631 VanDerWaalsContact CD1-NH2 3.3Å; L629-R631 HydrophobicContact CD2-CG 4.24Å; L629-R631 HydrophobicContact CG-CG 4.32Å
632	S	92.8	Very high	91	Very high	39 Å²	39	43.2 Å²	43.2	27%	0.273	25%	0.249	S	C	.	.	S	Bend	trans	-143.2	105.9	177.7	177.8	0	0	0	0	107.8	N586 R620 I630	N586-S632 WeakPolarHBondContact O-CA 3.33Å; R620-S632 VanDerWaalsContact CD-O 3.28Å; R620-S632 WeakPolarHBondContact CD-O 3.44Å; R620-S632 PolarHBondContact NH1-O 2.89Å; I630-S632 PolarHBondContact O-N 2.83Å
633	V	93.7	Very high	90.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.236	C	C	.	.			trans	-73.5	132.1	-176.9	173.7	0	0	0	0	110.6	K584 N585 N586 T588 I630 F659 V661	K584-V633 WeakPolarHBondContact CA-O 3.06Å; N585-V633 PolarHBondContact N-O 2.93Å; N586-V633 WeakPolarHBondContact O-CG2 3.45Å; N586-V633 PolarHBondContact O-N 3.36Å; T588-V633 WeakPolarHBondContact OG1-CG2 3.05Å; I630-V633 HydrophobicContact CB-CG2 4.36Å; I630-V633 HydrophobicContact CG2-CG2 3.88Å; V633-F659 HydrophobicContact CG1-CE1 3.88Å; V633-F659 HydrophobicContact CG1-CZ 3.82Å; V633-F659 HydrophobicContact CG2-CE1 4.44Å; V633-F659 HydrophobicContact CG2-CZ 3.9Å; V633-V661 HydrophobicContact CG1-CB 4.29Å; V633-V661 HydrophobicContact CG1-CG1 3.71Å; V633-V661 HydrophobicContact CG1-CG2 3.66Å
634	Q	92.5	Very high	91	Very high	85 Å²	85	39.8 Å²	39.8	40%	0.397	22%	0.224	S	C	.	.			trans	-118.5	154.9	175.7	-60.5	-178.2	-2.2	0	0	110.1	S636 D637	Q634-S636 PolarHBondContact O-N 2.85Å; Q634-D637 PolarHBondContact N-OD2 2.93Å; Q634-D637 WeakPolarHBondContact O-CB 3.29Å; Q634-D637 PolarHBondContact O-N 2.89Å
635	G	88	Confident	91.2	Very high	48 Å²	48	37.7 Å²	37.7	50%	0.495	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-58.6	-24.1	176.2	0	0	0	0	0	113.6	D637 Q638	G635-D637 PolarHBondContact O-N 3.14Å; G635-Q638 WeakPolarHBondContact O-CB 3.39Å; G635-Q638 PolarHBondContact O-N 2.95Å
636	S	89.1	Confident	91.6	Very high	59 Å²	59	34.8 Å²	34.8	41%	0.413	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-70.7	-14.5	174.4	64.1	0	0	0	0	114	K607 Q634 Q638	K607-S636 WeakPolarHBondContact CE-O 3.2Å; K607-S636 PolarHBondContact NZ-O 2.96Å; Q634-S636 PolarHBondContact O-N 2.85Å; S636-Q638 VanDerWaalsContact C-N 3.32Å
637	D	91.2	Very high	91.7	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.037	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-83.2	-10.8	178.6	-58.9	-39.4	0	0	0	112.3	R620 Q634 G635 Y641 F659	R620-D637 IonicContact CZ-OD1 3.92Å; R620-D637 IonicContact CZ-OD2 2.98Å; R620-D637 IonicContact NH1-OD1 3.13Å; R620-D637 PolarHBondContact NH1-OD1 3.48Å; R620-D637 IonicContact NH1-OD2 2.7Å; R620-D637 PolarHBondContact NH1-OD2 3.23Å; R620-D637 IonicContact NH2-OD1 3.83Å; R620-D637 PolarHBondContact NH2-OD1 3.27Å; R620-D637 IonicContact NH2-OD2 2.69Å; Q634-D637 PolarHBondContact N-OD2 2.93Å; Q634-D637 WeakPolarHBondContact O-CB 3.29Å; Q634-D637 PolarHBondContact O-N 2.89Å; G635-D637 PolarHBondContact O-N 3.14Å; D637-Y641 WeakPolarHBondContact O-CE2 3.45Å; D637-Y641 PolarHBondContact O-OH 3.37Å; D637-F659 HydrophobicContact CB-CD1 4.42Å; D637-F659 HydrophobicContact CB-CE1 4.1Å
638	Q	92.2	Very high	91.4	Very high	102 Å²	102	34.9 Å²	34.9	48%	0.477	19%	0.193	S	C	.	.			trans	-60.2	136.7	177.7	-179.1	167.5	-46.6	0	0	111.6	G635 S636 F659 V661	G635-Q638 WeakPolarHBondContact O-CB 3.39Å; G635-Q638 PolarHBondContact O-N 2.95Å; S636-Q638 VanDerWaalsContact C-N 3.32Å; Q638-F659 WeakPolarHBondContact CA-O 3.08Å; Q638-F659 WeakPolarHBondContact CG-O 3.47Å; Q638-V661 HydrophobicContact CB-CG2 4.05Å
639	G	93.1	Very high	91	Very high	11 Å²	11	40 Å²	40	11%	0.113	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.2	-174.2	176.1	0	0	0	0	0	113.6	F659	G639-F659 PolarHBondContact N-O 3.39Å; G639-F659 VanDerWaalsContact N-O 3.09Å; G639-F659 PolarHBondContact O-N 3.34Å
640	L	93.3	Very high	90.6	Very high	31 Å²	31	38.2 Å²	38.2	16%	0.162	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	106.6	-179.5	-177.6	65.6	0	0	0	110.7	E577 Q606 H642 K656 N658	E577-L640 HydrophobicContact CG-CD1 3.94Å; Q606-L640 HydrophobicContact CB-CB 4.32Å; Q606-L640 PolarHBondContact N-O 3.05Å; Q606-L640 PolarHBondContact O-N 3.18Å; L640-H642 PolarHBondContact O-ND1 3.01Å; L640-K656 HydrophobicContact CD1-CB 4.32Å; L640-N658 HydrophobicContact CD1-CB 4.05Å
641	Y	93.6	Very high	90.2	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	132.4	174.6	-70.3	-100.6	0	0	0	110.5	L590 W603 L604 L605 V615 L628 D637 K656 I657 F659	L590-Y641 HydrophobicContact CD1-CD1 3.82Å; L590-Y641 HydrophobicContact CD1-CD2 3.84Å; L590-Y641 HydrophobicContact CD1-CE1 4.06Å; L590-Y641 HydrophobicContact CD1-CE2 4.09Å; L590-Y641 HydrophobicContact CD1-CG 3.72Å; W603-Y641 HydrophobicContact CE3-CD1 4.31Å; L604-Y641 CarbonylContact O-C 3.54Å; L604-Y641 WeakPolarHBondContact O-CA 3.47Å; L605-Y641 HydrophobicContact CB-CE1 4.42Å; L605-Y641 HydrophobicContact CD1-CD1 4.26Å; L605-Y641 HydrophobicContact CD1-CD2 3.8Å; L605-Y641 HydrophobicContact CD1-CE1 4.04Å; L605-Y641 HydrophobicContact CD1-CE2 3.53Å; L605-Y641 HydrophobicContact CD1-CG 4.14Å; L605-Y641 HydrophobicContact CD2-CE1 4.49Å; V615-Y641 HydrophobicContact CG2-CD1 4.1Å; V615-Y641 HydrophobicContact CG2-CE1 3.99Å; L628-Y641 HydrophobicContact CD2-CD1 4.02Å; L628-Y641 HydrophobicContact CD2-CE1 3.82Å; D637-Y641 WeakPolarHBondContact O-CE2 3.45Å; D637-Y641 PolarHBondContact O-OH 3.37Å; Y641-K656 CarbonylContact O-C 3.59Å; Y641-K656 WeakPolarHBondContact O-CA 3.46Å; Y641-I657 PolarHBondContact N-O 3.3Å; Y641-I657 PolarHBondContact O-N 3.45Å; Y641-F659 HydrophobicContact CD2-CB 3.69Å; Y641-F659 HydrophobicContact CE2-CB 3.64Å; Y641-F659 AromaticContact CE2-CD1 3.98Å; Y641-F659 HydrophobicContact CE2-CD1 3.98Å; Y641-F659 HydrophobicContact CE2-CG 4.16Å
642	H	92.2	Very high	89.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.4	173.3	-61.3	71.6	0	0	0	108.4	W603 L604 Q606 R612 L640	W603-H642 WeakPolarHBondContact CA-O 3.29Å; L604-H642 HydrophobicContact CB-CB 4.26Å; L604-H642 PolarHBondContact N-O 3.14Å; L604-H642 PolarHBondContact O-N 3.49Å; Q606-H642 PolarHBondContact OE1-CE1 3.21Å; Q606-H642 VanDerWaalsContact OE1-CE1 3.25Å; R612-H642 PolarHBondContact NE-NE2 2.92Å; R612-H642 PolarHBondContact NH2-NE2 2.89Å; L640-H642 PolarHBondContact O-ND1 3.01Å
643	C	91.4	Very high	89.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.6	171.3	-171.8	0	0	0	0	109.2	C592 I601 W603 T653 I654 A655	C592-C643 HydrophobicContact CB-CB 3.76Å; C592-C643 WeakPolarHBondContact CB-SG 3.22Å; C592-C643 WeakPolarHBondContact SG-CB 3.32Å; C592-C643 CovalentContact SG-SG 2Å; C592-C643 PolarHBondContact SG-SG 3.47Å; I601-C643 WeakPolarHBondContact CG2-SG 3.45Å; W603-C643 HydrophobicContact CD2-CB 4.25Å; W603-C643 HydrophobicContact CE3-CB 3.93Å; W603-C643 HydrophobicContact CH2-CB 3.84Å; W603-C643 HydrophobicContact CZ2-CB 4.13Å; W603-C643 HydrophobicContact CZ3-CB 3.72Å; C643-T653 CarbonylContact O-C 3.5Å; C643-T653 WeakPolarHBondContact O-CA 3.49Å; C643-I654 HydrophobicContact CB-CG1 4.1Å; C643-I654 WeakPolarHBondContact O-CG1 3.08Å; C643-I654 PolarHBondContact O-N 3.32Å; C643-A655 HydrophobicContact CB-CB 3.98Å; C643-A655 PolarHBondContact N-O 2.92Å
644	I	90.2	Very high	89.1	Confident	24 Å²	24	42.6 Å²	42.6	12%	0.123	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.9	-177.1	-58.8	178	0	0	0	109	I601 K602 L604 K651 Q652	I601-I644 CarbonylContact C-O 3.51Å; I601-I644 WeakPolarHBondContact CA-O 3.34Å; K602-I644 PolarHBondContact N-O 3.42Å; K602-I644 PolarHBondContact O-N 2.75Å; L604-I644 HydrophobicContact CD1-CD1 3.43Å; L604-I644 VanDerWaalsContact CD1-CD1 3.43Å; L604-I644 HydrophobicContact CG-CD1 3.99Å; I644-K651 HydrophobicContact CG2-CB 4.22Å; I644-Q652 CarbonylContact C-O 3.56Å; I644-Q652 VanDerWaalsContact CA-O 3.29Å; I644-Q652 WeakPolarHBondContact CA-O 3.06Å
645	A	89.4	Confident	88.9	Confident	10 Å²	10	39.1 Å²	39.1	8%	0.083	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135.8	169.7	0	0	0	0	0	109.9	P594 A599 S600 K651 Q652 I654	P594-A645 HydrophobicContact CB-CB 4.37Å; A599-A645 HydrophobicContact CB-CB 4.36Å; S600-A645 CarbonylContact O-C 3.56Å; S600-A645 WeakPolarHBondContact O-CA 3.34Å; A645-K651 WeakPolarHBondContact O-CA 3.08Å; A645-Q652 PolarHBondContact N-O 3Å; A645-Q652 PolarHBondContact O-N 3.21Å; A645-I654 HydrophobicContact CB-CD1 3.96Å; A645-I654 HydrophobicContact CB-CG1 4.24Å; A645-I654 HydrophobicContact CB-CG2 3.85Å
646	T	89	Confident	89.1	Confident	32 Å²	32	37.9 Å²	37.9	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.2	172.5	-50.9	0	0	0	0	109.5	A599 S600 F650 K651	A599-T646 WeakPolarHBondContact CA-O 3.39Å; S600-T646 PolarHBondContact N-O 3.25Å; S600-T646 PolarHBondContact O-N 2.88Å; S600-T646 PolarHBondContact OG-O 3.27Å; T646-F650 CarbonylContact C-O 3.39Å; T646-F650 VanDerWaalsContact CA-O 3.25Å; T646-F650 WeakPolarHBondContact CA-O 2.96Å; T646-K651 HydrophobicContact CG2-CG 3.91Å
647	E	87.6	Confident	89.3	Confident	20 Å²	20	35.2 Å²	35.2	9%	0.093	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	126.8	178.3	-176.4	169.3	-140.8	0	0	109	R28 L526 S596 A599 S649 F650	R28-E647 IonicContact CZ-OE1 3.05Å; R28-E647 IonicContact CZ-OE2 3.29Å; R28-E647 IonicContact NH1-OE1 2.71Å; R28-E647 PolarHBondContact NH1-OE1 2.05Å; R28-E647 IonicContact NH1-OE2 2.74Å; R28-E647 PolarHBondContact NH1-OE2 2.91Å; R28-E647 VanDerWaalsContact NH1-OE2 3.07Å; R28-E647 IonicContact NH2-OE1 3.29Å; R28-E647 IonicContact NH2-OE2 2.81Å; R28-E647 PolarHBondContact NH2-OE2 2.85Å; L526-E647 HydrophobicContact CD2-CB 4.46Å; L526-E647 HydrophobicContact CD2-CG 4.2Å; S596-E647 VanDerWaalsContact CB-OE1 3.23Å; S596-E647 WeakPolarHBondContact CB-OE1 3.34Å; S596-E647 PolarHBondContact OG-OE1 3.12Å; A599-E647 HydrophobicContact CB-CB 4.01Å; E647-S649 PolarHBondContact O-N 3.22Å; E647-F650 PolarHBondContact N-O 2.67Å; E647-F650 WeakPolarHBondContact O-CA 3.47Å; E647-F650 VanDerWaalsContact O-CB 3.29Å; E647-F650 WeakPolarHBondContact O-CB 3.5Å; E647-F650 PolarHBondContact O-N 2.82Å
648	N	83.1	Confident	89.4	Confident	83 Å²	83	36.8 Å²	36.8	44%	0.444	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	45.4	-179.8	-165.6	33.5	0	0	0	113.6	L526 H557 G558 F650	L526-N648 HydrophobicContact CD2-CB 4.23Å; H557-N648 PolarHBondContact O-ND2 3.17Å; G558-N648 PolarHBondContact O-ND2 3.09Å; N648-F650 PolarHBondContact O-N 3.34Å
649	S	85	Confident	89.6	Confident	109 Å²	109	32 Å²	32	76%	0.762	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	-1.2	-174.4	-51.8	0	0	0	0	116.5	E647	E647-S649 PolarHBondContact O-N 3.22Å
650	F	85.8	Confident	89.6	Confident	11 Å²	11	35.3 Å²	35.3	5%	0.048	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.8	171.6	-177.9	-104.6	0	0	0	110.5	A522 L526 P560 L561 T646 E647 N648 Q652	A522-F650 HydrophobicContact CB-CE1 3.65Å; A522-F650 HydrophobicContact CB-CE2 4.43Å; A522-F650 HydrophobicContact CB-CZ 3.6Å; L526-F650 HydrophobicContact CD1-CD1 3.83Å; L526-F650 HydrophobicContact CD1-CE1 4.39Å; L526-F650 HydrophobicContact CD2-CB 4.39Å; P560-F650 HydrophobicContact CB-CD2 3.78Å; P560-F650 HydrophobicContact CB-CE2 3.77Å; P560-F650 HydrophobicContact CB-CG 4.22Å; P560-F650 HydrophobicContact CB-CZ 4.2Å; P560-F650 HydrophobicContact CG-CB 4.29Å; P560-F650 HydrophobicContact CG-CD1 4.21Å; P560-F650 HydrophobicContact CG-CD2 3.97Å; P560-F650 HydrophobicContact CG-CE2 4.33Å; P560-F650 HydrophobicContact CG-CG 3.89Å; L561-F650 HydrophobicContact CD2-CD2 3.91Å; L561-F650 HydrophobicContact CD2-CE2 4Å; L561-F650 HydrophobicContact CG-CD2 4.06Å; T646-F650 CarbonylContact C-O 3.39Å; T646-F650 VanDerWaalsContact CA-O 3.25Å; T646-F650 WeakPolarHBondContact CA-O 2.96Å; E647-F650 PolarHBondContact N-O 2.67Å; E647-F650 WeakPolarHBondContact O-CA 3.47Å; E647-F650 VanDerWaalsContact O-CB 3.29Å; E647-F650 WeakPolarHBondContact O-CB 3.5Å; E647-F650 PolarHBondContact O-N 2.82Å; N648-F650 PolarHBondContact O-N 3.34Å; F650-Q652 HydrophobicContact CD1-CB 4.43Å; F650-Q652 HydrophobicContact CE1-CB 3.92Å
651	K	87.2	Confident	89.5	Confident	153 Å²	153	34.9 Å²	34.9	67%	0.665	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.5	-179.8	-64.9	-177.5	179.2	175.2	0	110.6	I644 A645 T646	I644-K651 HydrophobicContact CG2-CB 4.22Å; A645-K651 WeakPolarHBondContact O-CA 3.08Å; T646-K651 HydrophobicContact CG2-CG 3.91Å
652	Q	84.6	Confident	89.4	Confident	39 Å²	39	37.4 Å²	37.4	18%	0.182	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.5	179.7	175.7	176.4	-21.1	0	0	110.8	Y572 I644 A645 F650 I654	Y572-Q652 HydrophobicContact CD1-CG 3.88Å; Y572-Q652 VanDerWaalsContact CD1-NE2 3.29Å; Y572-Q652 VanDerWaalsContact CE1-NE2 3.34Å; I644-Q652 CarbonylContact C-O 3.56Å; I644-Q652 VanDerWaalsContact CA-O 3.29Å; I644-Q652 WeakPolarHBondContact CA-O 3.06Å; A645-Q652 PolarHBondContact N-O 3Å; A645-Q652 PolarHBondContact O-N 3.21Å; F650-Q652 HydrophobicContact CD1-CB 4.43Å; F650-Q652 HydrophobicContact CE1-CB 3.92Å; Q652-I654 HydrophobicContact CG-CG2 4.14Å; Q652-I654 PolarHBondContact O-N 3.48Å
653	T	87	Confident	89	Confident	18 Å²	18	40.8 Å²	40.8	11%	0.11	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	114.9	169.2	-50.2	0	0	0	0	108	A575 C643 K656	A575-T653 HydrophobicContact CB-CG2 4.26Å; C643-T653 CarbonylContact O-C 3.5Å; C643-T653 WeakPolarHBondContact O-CA 3.49Å; T653-K656 HydrophobicContact CG2-CG 3.95Å
654	I	85.9	Confident	88.1	Confident	50 Å²	50	43.9 Å²	43.9	26%	0.256	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-28.4	-177.8	52.5	167.7	0	0	0	112.8	C592 P594 C643 A645 Q652	C592-I654 WeakPolarHBondContact SG-CD1 3.16Å; C592-I654 WeakPolarHBondContact SG-CG1 3.31Å; P594-I654 HydrophobicContact CB-CD1 4.16Å; C643-I654 HydrophobicContact CB-CG1 4.1Å; C643-I654 WeakPolarHBondContact O-CG1 3.08Å; C643-I654 PolarHBondContact O-N 3.32Å; A645-I654 HydrophobicContact CB-CD1 3.96Å; A645-I654 HydrophobicContact CB-CG1 4.24Å; A645-I654 HydrophobicContact CB-CG2 3.85Å; Q652-I654 HydrophobicContact CG-CG2 4.14Å; Q652-I654 PolarHBondContact O-N 3.48Å
655	A	88.8	Confident	87.1	Confident	12 Å²	12	50.5 Å²	50.5	10%	0.099	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	145.1	173.8	0	0	0	0	0	111.6	C643 I657	C643-A655 HydrophobicContact CB-CB 3.98Å; C643-A655 PolarHBondContact N-O 2.92Å; A655-I657 HydrophobicContact CB-CG1 4.42Å
656	K	91.5	Very high	86	Confident	22 Å²	22	55.9 Å²	55.9	10%	0.096	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	116	166.9	-71.4	-173.7	-167.3	173.1	0	108.3	N574 A575 E577 I578 L640 Y641 T653	N574-K656 PolarHBondContact OD1-NZ 2.71Å; A575-K656 HydrophobicContact CB-CG 4.32Å; A575-K656 WeakPolarHBondContact O-CD 3.35Å; E577-K656 WeakPolarHBondContact CA-O 3.41Å; E577-K656 HydrophobicContact CB-CB 4.46Å; I578-K656 PolarHBondContact N-O 3.34Å; L640-K656 HydrophobicContact CD1-CB 4.32Å; Y641-K656 CarbonylContact O-C 3.59Å; Y641-K656 WeakPolarHBondContact O-CA 3.46Å; T653-K656 HydrophobicContact CG2-CG 3.95Å
657	I	93.4	Very high	84.8	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	109.9	-174.3	-55.5	170.2	0	0	0	108.3	I578 Q580 L590 W603 Y641 A655 F659	I578-I657 CarbonylContact O-C 3.6Å; I578-I657 WeakPolarHBondContact O-CA 3.42Å; Q580-I657 HydrophobicContact CB-CG2 3.76Å; L590-I657 HydrophobicContact CB-CD1 3.88Å; L590-I657 HydrophobicContact CD2-CG2 4.23Å; W603-I657 HydrophobicContact CH2-CD1 3.91Å; W603-I657 HydrophobicContact CZ3-CD1 4.14Å; Y641-I657 PolarHBondContact N-O 3.3Å; Y641-I657 PolarHBondContact O-N 3.45Å; A655-I657 HydrophobicContact CB-CG1 4.42Å; I657-F659 PolarHBondContact O-N 3.33Å
658	N	93.9	Very high	83.5	Confident	40 Å²	40	57.4 Å²	57.4	21%	0.214	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	94.3	172.1	-171.1	-11.8	0	0	0	108.5	E577 I578 V579 Q580 L640	E577-N658 HydrophobicContact CG-CB 3.98Å; E577-N658 VanDerWaalsContact OE1-CB 3.25Å; E577-N658 WeakPolarHBondContact OE1-CB 3.23Å; E577-N658 PolarHBondContact OE1-ND2 3.46Å; I578-N658 PolarHBondContact O-N 3.13Å; V579-N658 WeakPolarHBondContact CA-O 3.46Å; V579-N658 HydrophobicContact CG2-CB 4.33Å; Q580-N658 PolarHBondContact N-O 3.17Å; L640-N658 HydrophobicContact CD1-CB 4.05Å
659	F	95	Very high	82.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	118.5	-174.5	-176.2	-119	0	0	0	110.3	Q580 T588 L590 I630 V633 D637 Q638 G639 Y641 I657 V661	Q580-F659 HydrophobicContact CB-CD2 4.49Å; Q580-F659 WeakPolarHBondContact O-CA 3.37Å; T588-F659 HydrophobicContact CG2-CE2 3.61Å; T588-F659 HydrophobicContact CG2-CZ 4.06Å; L590-F659 HydrophobicContact CD2-CD2 3.72Å; L590-F659 HydrophobicContact CD2-CE2 4.1Å; L590-F659 HydrophobicContact CD2-CG 4.24Å; I630-F659 HydrophobicContact CD1-CE1 4.19Å; V633-F659 HydrophobicContact CG1-CE1 3.88Å; V633-F659 HydrophobicContact CG1-CZ 3.82Å; V633-F659 HydrophobicContact CG2-CE1 4.44Å; V633-F659 HydrophobicContact CG2-CZ 3.9Å; D637-F659 HydrophobicContact CB-CD1 4.42Å; D637-F659 HydrophobicContact CB-CE1 4.1Å; Q638-F659 WeakPolarHBondContact CA-O 3.08Å; Q638-F659 WeakPolarHBondContact CG-O 3.47Å; G639-F659 PolarHBondContact N-O 3.39Å; G639-F659 VanDerWaalsContact N-O 3.09Å; G639-F659 PolarHBondContact O-N 3.34Å; Y641-F659 HydrophobicContact CD2-CB 3.69Å; Y641-F659 HydrophobicContact CE2-CB 3.64Å; Y641-F659 AromaticContact CE2-CD1 3.98Å; Y641-F659 HydrophobicContact CE2-CD1 3.98Å; Y641-F659 HydrophobicContact CE2-CG 4.16Å; I657-F659 PolarHBondContact O-N 3.33Å; F659-V661 HydrophobicContact CD1-CG2 4.21Å; F659-V661 HydrophobicContact CE1-CG2 3.75Å; F659-V661 HydrophobicContact CZ-CG2 4.37Å
660	K	93.4	Very high	81.1	Confident	82 Å²	82	57.1 Å²	57.1	36%	0.357	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.9	178.3	-66.5	-173.7	178.5	-178.7	0	110.2	V579 Q580 Y581 G582	V579-K660 HydrophobicContact CG1-CD 4.01Å; V579-K660 HydrophobicContact CG1-CG 4.37Å; Q580-K660 PolarHBondContact O-N 3.17Å; Y581-K660 WeakPolarHBondContact CA-O 3.5Å; Y581-K660 HydrophobicContact CD1-CB 3.72Å; Y581-K660 HydrophobicContact CD1-CD 4.41Å; Y581-K660 HydrophobicContact CE1-CB 3.84Å; Y581-K660 HydrophobicContact CE1-CD 3.66Å; Y581-K660 HydrophobicContact CE1-CG 4.33Å; G582-K660 PolarHBondContact N-O 2.85Å
661	V	92.6	Very high	79.7	Confident	21 Å²	21	60.7 Å²	60.7	13%	0.127	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.5	-179.7	-178.9	0	0	0	0	109.2	G582 K584 V633 Q638 F659	G582-V661 CarbonylContact O-C 3.47Å; G582-V661 WeakPolarHBondContact O-CA 3.28Å; K584-V661 HydrophobicContact CB-CG1 4.32Å; V633-V661 HydrophobicContact CG1-CB 4.29Å; V633-V661 HydrophobicContact CG1-CG1 3.71Å; V633-V661 HydrophobicContact CG1-CG2 3.66Å; Q638-V661 HydrophobicContact CB-CG2 4.05Å; F659-V661 HydrophobicContact CD1-CG2 4.21Å; F659-V661 HydrophobicContact CE1-CG2 3.75Å; F659-V661 HydrophobicContact CZ-CG2 4.37Å
662	L	90.2	Very high	77.8	Confident	55 Å²	55	58.7 Å²	58.7	29%	0.288	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.4	174.8	-60.5	175	0	0	0	109.2	Y581 G582 K584 V667	Y581-L662 HydrophobicContact CD1-CD1 4.07Å; Y581-L662 HydrophobicContact CD1-CD2 4.18Å; Y581-L662 HydrophobicContact CD1-CG 4.11Å; Y581-L662 HydrophobicContact CG-CD1 4.37Å; G582-L662 PolarHBondContact O-N 2.77Å; K584-L662 PolarHBondContact N-O 3.4Å; L662-V667 HydrophobicContact CB-CG2 3.83Å; L662-V667 HydrophobicContact CD1-CG2 4.16Å
663	D	84.5	Confident	75.8	Confident	72 Å²	72	63.3 Å²	63.3	39%	0.385	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-68.6	145.2	168.5	-77	-50.4	0	0	0	110	K584 E665 M666 V667	K584-D663 WeakPolarHBondContact CD-OD1 3.13Å; K584-D663 IonicContact NZ-OD1 3.62Å; K584-D663 PolarHBondContact NZ-OD1 3Å; D663-E665 PolarHBondContact O-N 2.86Å; D663-E665 VanDerWaalsContact O-N 3.15Å; D663-M666 PolarHBondContact O-N 2.87Å; D663-V667 PolarHBondContact O-N 3.5Å
664	S	72.7	Confident	73.2	Confident	65 Å²	65	73.2 Å²	73.2	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-57	-31.1	-179.6	-63.3	0	0	0	0	113	V667 A668	S664-V667 PolarHBondContact O-N 3.43Å; S664-A668 PolarHBondContact O-N 2.97Å; S664-A668 VanDerWaalsContact O-N 3.07Å
665	E	69.4	Low	70.7	Confident	163 Å²	163	74.2 Å²	74.2	76%	0.762	39%	0.39	S	S	*	.	H	α-helix	trans	-69	-37.9	176.9	-66.1	174.8	-172.5	0	0	112.5	D663 A668 V669	D663-E665 PolarHBondContact O-N 2.86Å; D663-E665 VanDerWaalsContact O-N 3.15Å; E665-A668 WeakPolarHBondContact O-CB 3.47Å; E665-A668 PolarHBondContact O-N 3.34Å; E665-V669 WeakPolarHBondContact O-CG2 3.27Å; E665-V669 PolarHBondContact O-N 2.84Å
666	M	64.5	Low	68.3	Low	123 Å²	123	79.4 Å²	79.4	61%	0.606	42%	0.423	S	S	*	.	H	α-helix	trans	-68.2	-36.3	176	-78.2	-172.5	164.7	0	0	111.9	D663 V669 V670	D663-M666 PolarHBondContact O-N 2.87Å; M666-V669 PolarHBondContact O-N 2.72Å; M666-V670 WeakPolarHBondContact O-CG2 3.46Å; M666-V670 PolarHBondContact O-N 3.41Å; M666-V670 VanDerWaalsContact O-N 3.12Å
667	V	64.7	Low	66	Low	44 Å²	44	89 Å²	89	27%	0.267	46%	0.458	S	S	.	.	H	α-helix	trans	-66	-42.7	174.9	-178.7	0	0	0	0	110.1	V583 L662 D663 S664 V669 V670 T671	V583-V667 HydrophobicContact CG1-CG2 4.08Å; V583-V667 HydrophobicContact CG2-CG2 3.93Å; L662-V667 HydrophobicContact CB-CG2 3.83Å; L662-V667 HydrophobicContact CD1-CG2 4.16Å; D663-V667 PolarHBondContact O-N 3.5Å; S664-V667 PolarHBondContact O-N 3.43Å; V667-V669 VanDerWaalsContact C-N 3.34Å; V667-V669 PolarHBondContact O-N 2.97Å; V667-V670 PolarHBondContact O-N 3.35Å; V667-T671 HydrophobicContact CG1-CG2 4.5Å; V667-T671 PolarHBondContact O-N 3.32Å; V667-T671 PolarHBondContact O-OG1 2.84Å
668	A	60.3	Low	63.1	Low	40 Å²	40	94.5 Å²	94.5	33%	0.331	49%	0.492	S	S	.	.	H	α-helix	trans	-58.1	-43.3	175.7	0	0	0	0	0	112.3	S664 E665 V670 T671 D672	S664-A668 PolarHBondContact O-N 2.97Å; S664-A668 VanDerWaalsContact O-N 3.07Å; E665-A668 WeakPolarHBondContact O-CB 3.47Å; E665-A668 PolarHBondContact O-N 3.34Å; A668-V670 PolarHBondContact O-N 2.8Å; A668-T671 VanDerWaalsContact CA-OG1 3.31Å; A668-T671 WeakPolarHBondContact CA-OG1 3.3Å; A668-T671 PolarHBondContact O-N 2.03Å; A668-T671 PolarHBondContact O-OG1 2.94Å; A668-D672 VanDerWaalsContact O-CB 3.23Å; A668-D672 WeakPolarHBondContact O-CB 3.28Å; A668-D672 VanDerWaalsContact O-CG 3.25Å; A668-D672 PolarHBondContact O-N 2.86Å
669	V	59.5	Low	60.2	Low	83 Å²	83	101 Å²	101	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-66.9	-35.4	177.1	173.9	0	0	0	0	112.8	E665 M666 V667 K673	E665-V669 WeakPolarHBondContact O-CG2 3.27Å; E665-V669 PolarHBondContact O-N 2.84Å; M666-V669 PolarHBondContact O-N 2.72Å; V667-V669 VanDerWaalsContact C-N 3.34Å; V667-V669 PolarHBondContact O-N 2.97Å; V669-K673 WeakPolarHBondContact O-CB 3.48Å; V669-K673 WeakPolarHBondContact O-CG 3.46Å; V669-K673 PolarHBondContact O-N 3.42Å; V669-K673 VanDerWaalsContact O-N 3.16Å
670	V	58.3	Low	57.2	Low	102 Å²	102	105.5 Å²	105.5	62%	0.618	55%	0.551	S	S	*	*	H	α-helix	trans	-72.4	-34.6	176	173.3	0	0	0	0	111.3	M666 V667 A668	M666-V670 WeakPolarHBondContact O-CG2 3.46Å; M666-V670 PolarHBondContact O-N 3.41Å; M666-V670 VanDerWaalsContact O-N 3.12Å; V667-V670 PolarHBondContact O-N 3.35Å; A668-V670 PolarHBondContact O-N 2.8Å
671	T	56.7	Low	54.3	Low	86 Å²	86	107.2 Å²	107.2	53%	0.528	57%	0.573	S	S	.	*	H	α-helix	trans	-76.4	-33.7	174.3	49.1	0	0	0	0	113	V667 A668 W674	V667-T671 HydrophobicContact CG1-CG2 4.5Å; V667-T671 PolarHBondContact O-N 3.32Å; V667-T671 PolarHBondContact O-OG1 2.84Å; A668-T671 VanDerWaalsContact CA-OG1 3.31Å; A668-T671 WeakPolarHBondContact CA-OG1 3.3Å; A668-T671 PolarHBondContact O-N 2.03Å; A668-T671 PolarHBondContact O-OG1 2.94Å; T671-W674 WeakPolarHBondContact O-CB 3.49Å; T671-W674 PolarHBondContact O-N 2.92Å
672	D	46.2	Very low	51.3	Low	112 Å²	112	111 Å²	111	60%	0.599	60%	0.601	S	S	*	*	H	α-helix	trans	-74.8	-28.1	179.4	-79.6	-16	0	0	0	112.7	A668 W674 S675	A668-D672 VanDerWaalsContact O-CB 3.23Å; A668-D672 WeakPolarHBondContact O-CB 3.28Å; A668-D672 VanDerWaalsContact O-CG 3.25Å; A668-D672 PolarHBondContact O-N 2.86Å; D672-W674 PolarHBondContact O-N 2.74Å; D672-S675 WeakPolarHBondContact O-CB 3.44Å; D672-S675 PolarHBondContact O-N 2.82Å; D672-S675 PolarHBondContact O-OG 3.01Å
673	K	42.9	Very low	48.4	Very low	136 Å²	136	114.5 Å²	114.5	59%	0.591	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-3	170	-79.7	-174.2	179.6	-173.7	0	114.1	V669 W679	V669-K673 WeakPolarHBondContact O-CB 3.48Å; V669-K673 WeakPolarHBondContact O-CG 3.46Å; V669-K673 PolarHBondContact O-N 3.42Å; V669-K673 VanDerWaalsContact O-N 3.16Å; K673-W679 HydrophobicContact CD-CZ2 4.4Å
674	W	33.2	Very low	45.8	Very low	226 Å²	226	122.9 Å²	122.9	86%	0.856	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	10.9	171.3	-138.3	-45.2	0	0	0	113.1	T671 D672	T671-W674 WeakPolarHBondContact O-CB 3.49Å; T671-W674 PolarHBondContact O-N 2.92Å; D672-W674 PolarHBondContact O-N 2.74Å
675	S	32.2	Very low	43.9	Very low	70 Å²	70	124 Å²	124	49%	0.49	66%	0.664	S	S	.	*	S	Bend	trans	-75	129.7	168.2	59.3	0	0	0	0	110.3	D672 W677	D672-S675 WeakPolarHBondContact O-CB 3.44Å; D672-S675 PolarHBondContact O-N 2.82Å; D672-S675 PolarHBondContact O-OG 3.01Å; S675-W677 PolarHBondContact O-N 2.93Å
676	P	39.3	Very low	42	Very low	121 Å²	121	124 Å²	124	79%	0.786	67%	0.668	S	S	*	*	S	Bend	trans	-76.9	7.3	-165.2	-11.6	26	0	0	0	116.6
677	W	42.9	Very low	40.6	Very low	223 Å²	223	123.8 Å²	123.8	85%	0.845	68%	0.676	S	S	*	*	S	Bend	trans	-143.6	97.7	-170.6	-64	59.8	0	0	0	109.4	S675	S675-W677 PolarHBondContact O-N 2.93Å
678	T	33.6	Very low	39	Very low	120 Å²	120	131.3 Å²	131.3	74%	0.736	71%	0.705	S	S	*	*			trans	160.9	63.1	147.3	40.6	0	0	0	0	113.9
679	W	31.9	Very low	37.6	Very low	178 Å²	178	138.1 Å²	138.1	67%	0.674	73%	0.73	S	S	*	*			trans	-138.3	75.5	163.8	-70.8	67.2	0	0	0	111.4	K673	K673-W679 HydrophobicContact CD-CZ2 4.4Å
680	A	32.3	Very low	36.4	Very low	93 Å²	93	140 Å²	140	77%	0.769	74%	0.743	S	S	*	*	S	Bend	trans	-109.6	125.9	143.8	0	0	0	0	0	106.6
681	S	31.6	Very low	35.1	Very low	118 Å²	118	143.7 Å²	143.7	83%	0.825	75%	0.751	S	S	*	*	S	Bend	trans	86	71.8	171.9	-37.2	0	0	0	0	116.7
682	S	31	Very low	34.1	Very low	100 Å²	100	147.3 Å²	147.3	70%	0.699	77%	0.767	S	S	*	*				174.2	83.2	128.2	36.6	0	0	0	0	111.3
683	V	29	Very low	33.9	Very low	130 Å²	130	149.4 Å²	149.4	79%	0.788	78%	0.777	S	S	*	*			trans	-122.1	98.3	169.4	-156.9	0	0	0	0	108.4
684	R	30	Very low	33.5	Very low	248 Å²	248	151.3 Å²	151.3	94%	0.936	79%	0.79	S	S	*	*			trans	-151.3	86.1	151.8	-76.3	-162.4	-169.4	-178.3	3.7	109.4
685	A	31.4	Very low	33.9	Very low	88 Å²	88	144.3 Å²	144.3	73%	0.727	79%	0.788	S	S	*	*	S	Bend	trans	171.9	134.7	133.7	0	0	0	0	0	110.5
686	L	29.8	Very low	34.6	Very low	163 Å²	163	144.4 Å²	144.4	85%	0.853	79%	0.793	S	S	*	*			trans	95.4	129.2	169.1	-58.1	164.8	0	0	0	117.8
687	P	35.5	Very low	34.7	Very low	119 Å²	119	144.2 Å²	144.2	77%	0.773	78%	0.78	S	S	*	*			trans	-93.5	118.6	179.7	35	-27.7	0	0	0	111.3
688	F	31.4	Very low	35.1	Very low	202 Å²	202	136 Å²	136	89%	0.886	76%	0.757	S	S	*	*			trans	-132.9	123.7	160.7	-92.7	-83.5	0	0	0	108.8
689	H	31.8	Very low	35.6	Very low	183 Å²	183	138 Å²	138	85%	0.847	76%	0.758	S	S	*	*			trans	-89	123	176.8	-106.1	-48.7	0	0	0	110.3	K691	H689-K691 PolarHBondContact O-N 3.47Å
690	P	32.9	Very low	36.4	Very low	121 Å²	121	133 Å²	133	79%	0.786	75%	0.75	S	S	*	*			trans	-94.1	75.6	-179.4	34.4	-31.5	0	0	0	111.6
691	K	31	Very low	37	Very low	181 Å²	181	133.3 Å²	133.3	79%	0.787	74%	0.735	S	S	*	*			trans	-126.3	-4.5	172.9	-83.5	-166.5	174.2	-176.3	0	116.9	H689	H689-K691 PolarHBondContact O-N 3.47Å
692	D	36.8	Very low	37.7	Very low	161 Å²	161	131.8 Å²	131.8	86%	0.861	72%	0.716	S	S	*	*	S	Bend	trans	-99.9	10.2	-173.9	-65.8	-27.1	0	0	0	115.8
693	I	41.9	Very low	38.5	Very low	156 Å²	156	133 Å²	133	80%	0.8	71%	0.711	S	S	*	*	S	Bend	trans	-105.7	-13.6	-178.9	-61.4	175.9	0	0	0	113	G695	I693-G695 PolarHBondContact O-N 3.01Å
694	M	34.8	Very low	39.7	Very low	176 Å²	176	133.6 Å²	133.6	87%	0.867	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	0.4	-178.7	-72.1	-167.8	75.6	0	0	115
695	G	41.4	Very low	40.8	Very low	79 Å²	79	126 Å²	126	81%	0.814	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-3.3	-178.6	0	0	0	0	0	115.9	I693	I693-G695 PolarHBondContact O-N 3.01Å
696	A	47.3	Very low	41.6	Very low	72 Å²	72	126.4 Å²	126.4	60%	0.595	67%	0.674	S	S	*	*	S	Bend	trans	-94.2	-5.5	-167	0	0	0	0	0	115.6
697	F	40.4	Very low	42.6	Very low	117 Å²	117	124.5 Å²	124.5	51%	0.513	66%	0.661	S	S	.	*	S	Bend	trans	-140.7	137.9	-178	-61.8	-73.9	0	0	0	111.2	M702	F697-M702 HydrophobicContact CB-CE 4.22Å
698	S	51.7	Low	43.4	Very low	52 Å²	52	126.9 Å²	126.9	36%	0.364	66%	0.655	S	S	.	*			trans	-72.7	155.5	171.4	67.9	0	0	0	0	111.1	S700 E701 M702	S698-S700 PolarHBondContact O-N 2.89Å; S698-S700 VanDerWaalsContact O-N 3.14Å; S698-S700 PolarHBondContact OG-OG 3.28Å; S698-S700 VanDerWaalsContact OG-OG 3.13Å; S698-E701 WeakPolarHBondContact CB-OE2 3.4Å; S698-E701 PolarHBondContact N-OE2 3.29Å; S698-E701 PolarHBondContact O-N 3.06Å; S698-E701 VanDerWaalsContact O-N 3.12Å; S698-E701 VanDerWaalsContact OG-CG 3.3Å; S698-E701 WeakPolarHBondContact OG-CG 3.42Å; S698-E701 PolarHBondContact OG-OE2 3.44Å; S698-M702 PolarHBondContact O-N 3.21Å
699	H	44.1	Very low	44.3	Very low	161 Å²	161	120.2 Å²	120.2	75%	0.745	63%	0.633	S	S	*	*	H	α-helix	trans	-59.1	-28.1	-176.6	-125.6	-69.2	0	0	0	113.2	Q703	H699-Q703 WeakPolarHBondContact O-CG 3.39Å; H699-Q703 PolarHBondContact O-N 3.3Å
700	S	47.8	Very low	45.2	Very low	74 Å²	74	118.3 Å²	118.3	52%	0.517	62%	0.622	S	S	.	*	H	α-helix	trans	-75.9	-38.8	177.2	42	0	0	0	0	112.7	S698 M702 Q703 M704	S698-S700 PolarHBondContact O-N 2.89Å; S698-S700 VanDerWaalsContact O-N 3.14Å; S698-S700 PolarHBondContact OG-OG 3.28Å; S698-S700 VanDerWaalsContact OG-OG 3.13Å; S700-M702 VanDerWaalsContact C-N 3.34Å; S700-Q703 PolarHBondContact O-N 2.92Å; S700-M704 PolarHBondContact O-N 2.79Å; S700-M704 VanDerWaalsContact O-N 3.1Å
701	E	44.9	Very low	46.2	Very low	98 Å²	98	116.7 Å²	116.7	46%	0.458	61%	0.607	S	S	.	*	H	α-helix	trans	-66.4	-39.2	176.4	-69.5	163	143.4	0	0	111.1	S698 Q703 M704 I705	S698-E701 WeakPolarHBondContact CB-OE2 3.4Å; S698-E701 PolarHBondContact N-OE2 3.29Å; S698-E701 PolarHBondContact O-N 3.06Å; S698-E701 VanDerWaalsContact O-N 3.12Å; S698-E701 VanDerWaalsContact OG-CG 3.3Å; S698-E701 WeakPolarHBondContact OG-CG 3.42Å; S698-E701 PolarHBondContact OG-OE2 3.44Å; E701-Q703 VanDerWaalsContact C-N 3.27Å; E701-Q703 PolarHBondContact O-N 3.33Å; E701-M704 PolarHBondContact O-N 3.2Å; E701-I705 WeakPolarHBondContact O-CD1 3.37Å; E701-I705 WeakPolarHBondContact O-CG1 3.25Å; E701-I705 PolarHBondContact O-N 2.9Å
702	M	46.2	Very low	46.8	Very low	87 Å²	87	110.6 Å²	110.6	43%	0.429	59%	0.585	S	S	.	*	H	α-helix	trans	-64.7	-31.7	175.7	-153.7	92	76.1	0	0	112.4	F697 S698 S700 N706	F697-M702 HydrophobicContact CB-CE 4.22Å; S698-M702 PolarHBondContact O-N 3.21Å; S700-M702 VanDerWaalsContact C-N 3.34Å; M702-N706 WeakPolarHBondContact O-CB 3.26Å; M702-N706 PolarHBondContact O-N 3.08Å; M702-N706 PolarHBondContact O-ND2 3.16Å
703	Q	48.7	Very low	47.2	Very low	125 Å²	125	112.3 Å²	112.3	58%	0.584	58%	0.579	S	S	*	*	H	α-helix	trans	-73.8	-42.2	176.2	-78.3	176.2	-19.3	0	0	111.8	H699 S700 E701 N706 Q707	H699-Q703 WeakPolarHBondContact O-CG 3.39Å; H699-Q703 PolarHBondContact O-N 3.3Å; S700-Q703 PolarHBondContact O-N 2.92Å; E701-Q703 VanDerWaalsContact C-N 3.27Å; E701-Q703 PolarHBondContact O-N 3.33Å; Q703-N706 PolarHBondContact O-N 3.18Å; Q703-Q707 WeakPolarHBondContact O-CB 3.28Å; Q703-Q707 PolarHBondContact O-N 3.25Å
704	M	54.2	Low	47.4	Very low	143 Å²	143	110.8 Å²	110.8	70%	0.704	57%	0.569	S	S	*	*	H	α-helix	trans	-63.6	-43.2	176.7	-75	-77.5	-76.7	0	0	112.3	S700 E701 Q707 Y708	S700-M704 PolarHBondContact O-N 2.79Å; S700-M704 VanDerWaalsContact O-N 3.1Å; E701-M704 PolarHBondContact O-N 3.2Å; M704-Q707 PolarHBondContact O-N 3.33Å; M704-Y708 PolarHBondContact O-N 3.43Å
705	I	52	Low	48	Very low	89 Å²	89	109.3 Å²	109.3	46%	0.456	56%	0.56	S	S	.	*	H	α-helix	trans	-63.9	-41.9	176.2	-68.8	162.4	0	0	0	110.7	E701 Q707 Y708 C709	E701-I705 WeakPolarHBondContact O-CD1 3.37Å; E701-I705 WeakPolarHBondContact O-CG1 3.25Å; E701-I705 PolarHBondContact O-N 2.9Å; I705-Q707 VanDerWaalsContact C-N 3.34Å; I705-Q707 PolarHBondContact O-N 2.93Å; I705-Y708 PolarHBondContact O-N 3.38Å; I705-C709 WeakPolarHBondContact O-CB 3.28Å; I705-C709 PolarHBondContact O-N 3.34Å; I705-C709 PolarHBondContact O-SG 2.88Å; I705-C709 VanDerWaalsContact O-SG 3.32Å
706	N	48.5	Very low	48.2	Very low	95 Å²	95	112.7 Å²	112.7	51%	0.508	55%	0.554	S	S	.	*	H	α-helix	trans	-67.9	-32.7	176.7	-83.7	-41	0	0	0	113.2	M702 Q703 K710	M702-N706 WeakPolarHBondContact O-CB 3.26Å; M702-N706 PolarHBondContact O-N 3.08Å; M702-N706 PolarHBondContact O-ND2 3.16Å; Q703-N706 PolarHBondContact O-N 3.18Å; N706-K710 WeakPolarHBondContact O-CB 3.39Å; N706-K710 WeakPolarHBondContact O-CG 3.29Å; N706-K710 PolarHBondContact O-N 2.84Å; N706-K710 VanDerWaalsContact O-N 3.08Å
707	Q	52.1	Low	47.9	Very low	124 Å²	124	116.4 Å²	116.4	58%	0.579	56%	0.559	S	S	*	*	H	α-helix	trans	-66.4	-48.8	174.6	-155.8	104.9	-2	0	0	110.4	Q703 M704 I705 C709 K710 D711	Q703-Q707 WeakPolarHBondContact O-CB 3.28Å; Q703-Q707 PolarHBondContact O-N 3.25Å; M704-Q707 PolarHBondContact O-N 3.33Å; I705-Q707 VanDerWaalsContact C-N 3.34Å; I705-Q707 PolarHBondContact O-N 2.93Å; Q707-C709 PolarHBondContact O-N 3.04Å; Q707-K710 WeakPolarHBondContact O-CB 3.43Å; Q707-K710 PolarHBondContact O-N 3.08Å; Q707-K710 VanDerWaalsContact O-N 3.12Å; Q707-D711 PolarHBondContact O-N 2.94Å
708	Y	52.3	Low	48	Very low	169 Å²	169	118.1 Å²	118.1	66%	0.663	57%	0.569	S	S	*	*	H	α-helix	trans	-60.5	-43.1	178.1	-177.5	-100.4	0	0	0	112.5	M704 I705 K710 D711 T712	M704-Y708 PolarHBondContact O-N 3.43Å; I705-Y708 PolarHBondContact O-N 3.38Å; Y708-K710 VanDerWaalsContact C-N 3.33Å; Y708-K710 PolarHBondContact O-N 3.16Å; Y708-D711 PolarHBondContact O-N 3.17Å; Y708-T712 WeakPolarHBondContact O-CB 3.33Å; Y708-T712 PolarHBondContact O-N 2.97Å; Y708-T712 PolarHBondContact O-OG1 3.46Å
709	C	50.3	Low	47.5	Very low	61 Å²	61	117.5 Å²	117.5	41%	0.412	57%	0.57	S	S	.	*	H	α-helix	trans	-67	-31.8	176.1	-73.3	0	0	0	0	113	I705 Q707 R713	I705-C709 WeakPolarHBondContact O-CB 3.28Å; I705-C709 PolarHBondContact O-N 3.34Å; I705-C709 PolarHBondContact O-SG 2.88Å; I705-C709 VanDerWaalsContact O-SG 3.32Å; Q707-C709 PolarHBondContact O-N 3.04Å; C709-R713 WeakPolarHBondContact O-CB 3.21Å; C709-R713 WeakPolarHBondContact O-CG 3.36Å; C709-R713 PolarHBondContact O-N 3.44Å
710	K	49.3	Very low	47.3	Very low	144 Å²	144	115.9 Å²	115.9	63%	0.626	57%	0.568	S	S	*	*	H	α-helix	trans	-71.4	-44	174.6	-83.6	179.8	177	-179.7	0	111.9	N706 Q707 Y708 T712 R713 Q714	N706-K710 WeakPolarHBondContact O-CB 3.39Å; N706-K710 WeakPolarHBondContact O-CG 3.29Å; N706-K710 PolarHBondContact O-N 2.84Å; N706-K710 VanDerWaalsContact O-N 3.08Å; Q707-K710 WeakPolarHBondContact O-CB 3.43Å; Q707-K710 PolarHBondContact O-N 3.08Å; Q707-K710 VanDerWaalsContact O-N 3.12Å; Y708-K710 VanDerWaalsContact C-N 3.33Å; Y708-K710 PolarHBondContact O-N 3.16Å; K710-T712 VanDerWaalsContact C-N 3.32Å; K710-T712 PolarHBondContact O-N 2.89Å; K710-R713 PolarHBondContact O-N 3.05Å; K710-Q714 WeakPolarHBondContact O-CG 3.38Å; K710-Q714 PolarHBondContact O-N 3.34Å
711	D	54.9	Low	46.7	Very low	86 Å²	86	120.2 Å²	120.2	46%	0.46	58%	0.58	S	S	.	*	H	α-helix	trans	-65	-38.4	179.5	-68.8	-14.7	0	0	0	111.4	Q707 Y708 Q714 Q715	Q707-D711 PolarHBondContact O-N 2.94Å; Y708-D711 PolarHBondContact O-N 3.17Å; D711-Q714 PolarHBondContact O-N 2.65Å; D711-Q715 PolarHBondContact O-N 2.91Å; D711-Q715 VanDerWaalsContact O-N 3.09Å
712	T	43.6	Very low	46.4	Very low	53 Å²	53	119.5 Å²	119.5	33%	0.325	59%	0.585	S	S	.	*	H	α-helix	trans	-69.5	-34.2	177.3	-46.6	0	0	0	0	112.1	Y708 K710 H716	Y708-T712 WeakPolarHBondContact O-CB 3.33Å; Y708-T712 PolarHBondContact O-N 2.97Å; Y708-T712 PolarHBondContact O-OG1 3.46Å; K710-T712 VanDerWaalsContact C-N 3.32Å; K710-T712 PolarHBondContact O-N 2.89Å; T712-H716 PolarHBondContact O-N 2.82Å
713	R	44.4	Very low	46.1	Very low	198 Å²	198	122.8 Å²	122.8	75%	0.747	60%	0.599	S	S	*	*	H	α-helix	trans	-71.5	-35	174	-81.6	-179.2	176.4	-177.4	-0.1	112.8	C709 K710 H716 Q717	C709-R713 WeakPolarHBondContact O-CB 3.21Å; C709-R713 WeakPolarHBondContact O-CG 3.36Å; C709-R713 PolarHBondContact O-N 3.44Å; K710-R713 PolarHBondContact O-N 3.05Å; R713-H716 PolarHBondContact O-N 2.94Å; R713-Q717 PolarHBondContact O-N 3.41Å
714	Q	46.5	Very low	45.5	Very low	123 Å²	123	126.2 Å²	126.2	58%	0.575	61%	0.612	S	S	*	*	H	α-helix	trans	-70.1	-36.4	176.3	-74	-176.2	0.4	0	0	112.4	K710 D711 H716 Q717 Q718	K710-Q714 WeakPolarHBondContact O-CG 3.38Å; K710-Q714 PolarHBondContact O-N 3.34Å; D711-Q714 PolarHBondContact O-N 2.65Å; Q714-H716 VanDerWaalsContact C-N 3.31Å; Q714-H716 PolarHBondContact O-N 3.23Å; Q714-Q717 PolarHBondContact O-N 3.03Å; Q714-Q718 PolarHBondContact O-N 2.92Å
715	Q	48.3	Very low	44.6	Very low	146 Å²	146	127 Å²	127	68%	0.682	62%	0.617	S	S	*	*	H	α-helix	trans	-64.7	-33.7	173.7	-78.7	-176.4	-6.6	0	0	113.1	D711	D711-Q715 PolarHBondContact O-N 2.91Å; D711-Q715 VanDerWaalsContact O-N 3.09Å
716	H	43.8	Very low	44	Very low	149 Å²	149	133.9 Å²	133.9	69%	0.69	64%	0.637	S	S	*	*	H	α-helix	trans	-73.9	-28.2	176	-90.4	-58.3	0	0	0	113.8	T712 R713 Q714	T712-H716 PolarHBondContact O-N 2.82Å; R713-H716 PolarHBondContact O-N 2.94Å; Q714-H716 VanDerWaalsContact C-N 3.31Å; Q714-H716 PolarHBondContact O-N 3.23Å
717	Q	41.8	Very low	43.5	Very low	151 Å²	151	132.8 Å²	132.8	71%	0.706	65%	0.648	S	S	*	*	H	α-helix	trans	-76	-29.3	175.2	-78.4	178.8	-12.3	0	0	113.4	R713 Q714 G719	R713-Q717 PolarHBondContact O-N 3.41Å; Q714-Q717 PolarHBondContact O-N 3.03Å; Q717-G719 VanDerWaalsContact C-N 3.35Å
718	Q	43.2	Very low	43.1	Very low	152 Å²	152	133 Å²	133	71%	0.71	65%	0.653	S	S	*	*	H	α-helix	trans	-75.7	-19.3	174.8	-81	-179.2	-9.7	0	0	114.2	Q714 S722	Q714-Q718 PolarHBondContact O-N 2.92Å; Q718-S722 PolarHBondContact O-OG 3.43Å
719	G	41.2	Very low	42.5	Very low	39 Å²	39	134 Å²	134	40%	0.402	66%	0.657	S	S	.	*	H	α-helix	trans	-73.7	-24.8	177.2	0	0	0	0	0	114.6	Q717 S722	Q717-G719 VanDerWaalsContact C-N 3.35Å; G719-S722 PolarHBondContact O-OG 3.26Å
720	D	39.4	Very low	42.1	Very low	128 Å²	128	134.4 Å²	134.4	68%	0.684	67%	0.672	S	S	*	*	H	α-helix	trans	-94	-22	-174.5	-106.7	-12.6	0	0	0	114.1
721	E	35	Very low	41.8	Very low	165 Å²	165	135.7 Å²	135.7	77%	0.771	68%	0.677	S	S	*	*	H	α-helix	trans	-80.4	-22.1	172.7	-78.2	-165.8	148.6	0	0	113.2	Q723	E721-Q723 VanDerWaalsContact C-N 3.32Å; E721-Q723 PolarHBondContact O-N 2.92Å
722	S	37.9	Very low	41.1	Very low	82 Å²	82	136.7 Å²	136.7	57%	0.573	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-6.3	-177.6	42.1	0	0	0	0	114.3	Q718 G719	Q718-S722 PolarHBondContact O-OG 3.43Å; G719-S722 PolarHBondContact O-OG 3.26Å
723	Q	40.5	Very low	40.8	Very low	156 Å²	156	142.5 Å²	142.5	73%	0.729	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-11.9	174.5	-77.5	-170	-0.7	0	0	115	E721	E721-Q723 VanDerWaalsContact C-N 3.32Å; E721-Q723 PolarHBondContact O-N 2.92Å
724	K	37	Very low	40.7	Very low	197 Å²	197	137.3 Å²	137.3	86%	0.857	70%	0.702	S	S	*	*	S	Bend	trans	-92.2	-6.3	177.9	-94.8	179.2	176.6	174.7	0	115.6
725	M	34.8	Very low	40.6	Very low	161 Å²	161	137.8 Å²	137.8	79%	0.793	71%	0.708	S	S	*	*			trans	-112.1	37.9	-179.8	-74.6	-69.3	-77.3	0	0	113.2
726	R	39.1	Very low	40.3	Very low	233 Å²	233	137 Å²	137	88%	0.879	71%	0.707	S	S	*	*			trans	-105.8	31.8	179.8	-141.6	179.2	-169.8	-170.4	3.5	113.6
727	G	37.3	Very low	40	Very low	72 Å²	72	137 Å²	137	74%	0.742	71%	0.712	S	S	*	*	S	Bend	trans	-101.1	-18.2	-176.7	0	0	0	0	0	117
728	D	44.6	Very low	39.9	Very low	129 Å²	129	134.4 Å²	134.4	69%	0.69	71%	0.711	S	S	*	*			trans	-136.3	24.7	-162.7	-117.5	-17.8	0	0	0	116.9	G730	D728-G730 VanDerWaalsContact C-N 3.32Å; D728-G730 PolarHBondContact O-N 3.3Å
729	Y	38.9	Very low	39.7	Very low	188 Å²	188	137.9 Å²	137.9	74%	0.737	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	5.2	176.1	-88.1	-84.2	0	0	0	115
730	G	43.4	Very low	39.3	Very low	71 Å²	71	146.2 Å²	146.2	73%	0.732	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-25.1	176.9	0	0	0	0	0	114.3	D728	D728-G730 VanDerWaalsContact C-N 3.32Å; D728-G730 PolarHBondContact O-N 3.3Å
731	K	42.3	Very low	38.9	Very low	170 Å²	170	145.5 Å²	145.5	74%	0.739	75%	0.748	S	S	*	*	S	Bend	trans	-95.8	-13.4	-175.3	-77.1	178.5	177.1	172	0	115
732	L	40.4	Very low	38.8	Very low	107 Å²	107	148.9 Å²	148.9	56%	0.56	75%	0.754	S	S	*	*	S	Bend	trans	-88	-16	-177.8	-146.8	75.9	0	0	0	114	A734	L732-A734 VanDerWaalsContact C-N 3.31Å; L732-A734 PolarHBondContact O-N 2.91Å
733	K	37.6	Very low	38.5	Very low	176 Å²	176	152 Å²	152	77%	0.765	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-11.7	-179.5	-148.3	173.7	-175.5	179.6	0	113.6
734	A	42.3	Very low	38.1	Very low	88 Å²	88	154 Å²	154	73%	0.727	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-8.1	178.7	0	0	0	0	0	114.3	L732	L732-A734 VanDerWaalsContact C-N 3.31Å; L732-A734 PolarHBondContact O-N 2.91Å
735	L	42.7	Very low	37.8	Very low	133 Å²	133	153.6 Å²	153.6	70%	0.696	76%	0.758	S	S	*	*	S	Bend	trans	-107.7	-8.3	-175.9	-91.4	156.2	0	0	0	115.2
736	I	42.5	Very low	37.7	Very low	129 Å²	129	152 Å²	152	66%	0.662	75%	0.753	S	S	*	*	S	Bend	trans	-101.6	-13.9	-175.6	-67.3	168.5	0	0	0	113	S738	I736-S738 PolarHBondContact O-N 3.42Å
737	N	38.4	Very low	37.4	Very low	149 Å²	149	149 Å²	149	80%	0.797	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	10	179.4	-80.4	-11.1	0	0	0	115.2
738	S	38.8	Very low	37	Very low	98 Å²	98	152.9 Å²	152.9	69%	0.685	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	6.4	179.9	73.3	0	0	0	0	115.6	I736	I736-S738 PolarHBondContact O-N 3.42Å
739	R	39.7	Very low	37	Very low	225 Å²	225	152 Å²	152	85%	0.849	75%	0.752	S	S	*	*	S	Bend	trans	-132.5	82.6	177.5	-77.1	-175.2	174.5	179.2	-1.1	112.6
740	K	33	Very low	36.8	Very low	213 Å²	213	151.5 Å²	151.5	93%	0.926	76%	0.757	S	S	*	*			trans	179.2	91.7	141.9	-99	166	-173.1	-174.5	0	111.2
741	S	30.4	Very low	36.4	Very low	114 Å²	114	157.6 Å²	157.6	80%	0.797	79%	0.789	S	S	*	*			trans	-173.2	113.7	149.2	177.2	0	0	0	0	109.9
742	R	32.9	Very low	36.1	Very low	236 Å²	236	157 Å²	157	89%	0.891	79%	0.791	S	S	*	*			trans	-176.8	114.2	140	-101.7	170.2	-176.4	-177	1.3	112
743	N	32	Very low	35.9	Very low	147 Å²	147	159.6 Å²	159.6	79%	0.786	80%	0.803	S	S	*	*			trans	36.7	127.8	143.7	-62.1	-16.1	0	0	0	120.8
744	R	31.7	Very low	35.8	Very low	197 Å²	197	158.7 Å²	158.7	74%	0.743	81%	0.805	S	S	*	*				85.6	117.9	56.3	-150.2	-169.8	-164.8	-174.9	6.6	114.1
745	R	31.5	Very low	35.4	Very low	189 Å²	189	162.9 Å²	162.9	71%	0.713	81%	0.81	S	S	*	*			trans	79.3	125.5	143	-103.4	-179	-173	173.8	-1.5	122.8
746	N	32	Very low	34.9	Very low	129 Å²	129	164.8 Å²	164.8	69%	0.69	82%	0.817	S	S	*	*				147.3	115.8	116.7	-83.5	-5.8	0	0	0	111.3
747	Q	32.2	Very low	34.4	Very low	168 Å²	168	167.1 Å²	167.1	79%	0.785	83%	0.827	S	S	*	*				77	111.1	94.8	-100	-170.2	-15.6	0	0	116.3
748	L	30.2	Very low	34.1	Very low	155 Å²	155	168.4 Å²	168.4	81%	0.812	83%	0.83	S	S	*	*			trans	51.4	160.2	142.5	-75.5	160.2	0	0	0	120.2
749	P	44.9	Very low	33.8	Very low	109 Å²	109	173.8 Å²	173.8	71%	0.708	84%	0.841	S	S	*	*			cis	-139.6	174.5	24.5	39.5	-18.3	0	0	0	118.8
750	E	33.1	Very low	33.3	Very low	178 Å²	178	169.6 Å²	169.6	83%	0.832	84%	0.84	S	S	*	*			trans	48.1	117.3	147.6	-73	178	172.1	0	0	122.5
751	S	35.5	Very low	33.3	Very low	200 Å²	200	165.6 Å²	165.6	100%	1.399	83%	0.832	S	S	*	*				-165.6	0	101.4	15.5	0	0	0	0	110.9

Retrieved 751 of 751 residues in 259.9 ms (Link to these results)

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