A0A060XCJ1_ONCMY Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A060XCJ1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110503363, Length 770 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	57.9	Low	71.3	Confident	194 Å²	194	124.5 Å²	124.5	96%	0.956	64%	0.64	S	S	*	*				0	-68	0	-63.3	-53	-89.3	0	0	111.9	R3 L4 V5	M1-R3 PolarHBondContact O-N 3.48Å; M1-L4 WeakPolarHBondContact O-CA 3.37Å; M1-L4 VanDerWaalsContact O-CB 3.27Å; M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 2.74Å; M1-V5 PolarHBondContact O-N 3.17Å
2	E	66.8	Low	71.2	Confident	170 Å²	170	121.8 Å²	121.8	79%	0.794	63%	0.634	S	S	*	*	H	α-helix	trans	-49.2	-48.6	-169.6	-60	170	147.6	0	0	115.5	L4 V5 L6	E2-L4 PolarHBondContact O-N 2.79Å; E2-V5 PolarHBondContact O-N 2.96Å; E2-V5 VanDerWaalsContact O-N 3.11Å; E2-L6 PolarHBondContact O-N 3.15Å
3	R	71.1	Confident	70.7	Confident	227 Å²	227	120.2 Å²	120.2	86%	0.857	63%	0.625	S	S	*	*	H	α-helix	trans	-59.8	-29.7	177.7	-67.7	-172.6	-179.6	-171.4	0.2	113.7	M1 C7	M1-R3 PolarHBondContact O-N 3.48Å; R3-C7 WeakPolarHBondContact O-CB 3.47Å; R3-C7 PolarHBondContact O-N 3.08Å; R3-C7 VanDerWaalsContact O-N 3.13Å
4	L	72.1	Confident	70	Confident	128 Å²	128	118.9 Å²	118.9	67%	0.67	62%	0.619	S	S	*	*	H	α-helix	trans	-74	-44.4	175.7	-160	81.3	0	0	0	110.5	M1 E2 L6 C7 V8	M1-L4 WeakPolarHBondContact O-CA 3.37Å; M1-L4 VanDerWaalsContact O-CB 3.27Å; M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 2.74Å; E2-L4 PolarHBondContact O-N 2.79Å; L4-L6 PolarHBondContact O-N 3.08Å; L4-C7 PolarHBondContact O-N 2.89Å; L4-V8 WeakPolarHBondContact O-CG2 3.31Å; L4-V8 PolarHBondContact O-N 2.87Å
5	V	75.6	Confident	69.1	Low	88 Å²	88	116.2 Å²	116.2	53%	0.533	61%	0.613	S	S	.	*	H	α-helix	trans	-60.4	-45.6	175.6	179.2	0	0	0	0	110.5	M1 E2 C7 V8 L9	M1-V5 PolarHBondContact O-N 3.17Å; E2-V5 PolarHBondContact O-N 2.96Å; E2-V5 VanDerWaalsContact O-N 3.11Å; V5-C7 VanDerWaalsContact C-N 3.35Å; V5-C7 PolarHBondContact O-N 3.5Å; V5-V8 PolarHBondContact O-N 3.47Å; V5-L9 WeakPolarHBondContact O-CB 3.47Å; V5-L9 PolarHBondContact O-N 2.94Å
6	L	75.9	Confident	68.3	Low	125 Å²	125	112.9 Å²	112.9	65%	0.654	61%	0.607	S	S	*	*	H	α-helix	trans	-62	-41.5	177.7	-164.3	76	0	0	0	111.8	E2 L4 L9 L10	E2-L6 PolarHBondContact O-N 3.15Å; L4-L6 PolarHBondContact O-N 3.08Å; L6-L9 PolarHBondContact O-N 2.9Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 PolarHBondContact O-N 3.11Å
7	C	73.6	Confident	67.3	Low	70 Å²	70	112.6 Å²	112.6	47%	0.473	61%	0.61	S	S	.	*	H	α-helix	trans	-66.4	-42.9	177.3	-164	0	0	0	0	111.9	R3 L4 V5 L10 C11	R3-C7 WeakPolarHBondContact O-CB 3.47Å; R3-C7 PolarHBondContact O-N 3.08Å; R3-C7 VanDerWaalsContact O-N 3.13Å; L4-C7 PolarHBondContact O-N 2.89Å; V5-C7 VanDerWaalsContact C-N 3.35Å; V5-C7 PolarHBondContact O-N 3.5Å; C7-L10 PolarHBondContact O-N 3.25Å; C7-C11 WeakPolarHBondContact O-CB 3.34Å; C7-C11 PolarHBondContact O-N 3.39Å; C7-C11 PolarHBondContact O-SG 3.37Å; C7-C11 VanDerWaalsContact O-SG 3.39Å
8	V	76	Confident	66.2	Low	86 Å²	86	114.1 Å²	114.1	52%	0.521	62%	0.617	S	S	.	*	H	α-helix	trans	-63.2	-42.6	173.8	171.7	0	0	0	0	111.1	L4 V5 L10 C11 V12	L4-V8 WeakPolarHBondContact O-CG2 3.31Å; L4-V8 PolarHBondContact O-N 2.87Å; V5-V8 PolarHBondContact O-N 3.47Å; V8-L10 VanDerWaalsContact C-N 3.32Å; V8-L10 PolarHBondContact O-N 3.23Å; V8-C11 PolarHBondContact O-N 2.85Å; V8-V12 HydrophobicContact CG1-CG2 4.43Å; V8-V12 WeakPolarHBondContact O-CG2 3.24Å; V8-V12 PolarHBondContact O-N 3.07Å
9	L	72.7	Confident	65.3	Low	105 Å²	105	114.2 Å²	114.2	55%	0.55	62%	0.621	S	S	.	*	H	α-helix	trans	-62.4	-41.2	176.4	-141.9	84.9	0	0	0	111.3	V5 L6 V12 L13	V5-L9 WeakPolarHBondContact O-CB 3.47Å; V5-L9 PolarHBondContact O-N 2.94Å; L6-L9 PolarHBondContact O-N 2.9Å; L9-V12 PolarHBondContact O-N 3.49Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 3.22Å
10	L	73.1	Confident	64.4	Low	105 Å²	105	116.9 Å²	116.9	55%	0.55	63%	0.627	S	S	.	*	H	α-helix	trans	-65.9	-41.6	176.2	-158.8	80.2	0	0	0	111.5	L6 C7 V8 L13 L14	L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 PolarHBondContact O-N 3.11Å; C7-L10 PolarHBondContact O-N 3.25Å; V8-L10 VanDerWaalsContact C-N 3.32Å; V8-L10 PolarHBondContact O-N 3.23Å; L10-L13 PolarHBondContact O-N 2.63Å; L10-L14 HydrophobicContact CG-CD1 3.96Å; L10-L14 WeakPolarHBondContact O-CD1 3.29Å; L10-L14 PolarHBondContact O-N 3.45Å
11	C	69.6	Low	63.8	Low	72 Å²	72	114.2 Å²	114.2	49%	0.486	63%	0.626	S	S	.	*	H	α-helix	trans	-63.9	-41.5	173.6	-74.3	0	0	0	0	112.3	C7 V8 L14 C15	C7-C11 WeakPolarHBondContact O-CB 3.34Å; C7-C11 PolarHBondContact O-N 3.39Å; C7-C11 PolarHBondContact O-SG 3.37Å; C7-C11 VanDerWaalsContact O-SG 3.39Å; V8-C11 PolarHBondContact O-N 2.85Å; C11-L14 PolarHBondContact O-N 2.91Å; C11-C15 WeakPolarHBondContact O-CB 3.33Å; C11-C15 PolarHBondContact O-N 3.03Å; C11-C15 PolarHBondContact O-SG 2.84Å
12	V	70	Confident	64	Low	92 Å²	92	111.4 Å²	111.4	56%	0.558	61%	0.606	S	S	*	*	H	α-helix	trans	-64.4	-40.7	174.8	169.8	0	0	0	0	110.8	V8 L9 C15 A16	V8-V12 HydrophobicContact CG1-CG2 4.43Å; V8-V12 WeakPolarHBondContact O-CG2 3.24Å; V8-V12 PolarHBondContact O-N 3.07Å; L9-V12 PolarHBondContact O-N 3.49Å; V12-C15 PolarHBondContact O-N 2.66Å; V12-A16 WeakPolarHBondContact O-CB 3.34Å; V12-A16 PolarHBondContact O-N 3.21Å
13	L	65.1	Low	64.2	Low	100 Å²	100	108.6 Å²	108.6	52%	0.524	60%	0.596	S	S	.	*	H	α-helix	trans	-65	-43.5	173.8	-79.1	162.6	0	0	0	112.4	L9 L10 A16 V17	L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 3.22Å; L10-L13 PolarHBondContact O-N 2.63Å; L13-A16 PolarHBondContact O-N 3.11Å; L13-V17 WeakPolarHBondContact O-CB 3.33Å; L13-V17 VanDerWaalsContact O-CG2 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.47Å; L13-V17 PolarHBondContact O-N 2.81Å
14	L	60.3	Low	64.6	Low	103 Å²	103	100.2 Å²	100.2	54%	0.539	57%	0.572	S	S	.	*	H	α-helix	trans	-64.4	-40.1	174.2	-94.7	84.3	0	0	0	111.9	L10 C11 V17 L18	L10-L14 HydrophobicContact CG-CD1 3.96Å; L10-L14 WeakPolarHBondContact O-CD1 3.29Å; L10-L14 PolarHBondContact O-N 3.45Å; C11-L14 PolarHBondContact O-N 2.91Å; L14-V17 PolarHBondContact O-N 3.4Å; L14-L18 WeakPolarHBondContact O-CB 3.33Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.32Å; L14-L18 PolarHBondContact O-N 3.24Å
15	C	56.9	Low	65.3	Low	78 Å²	78	94.6 Å²	94.6	53%	0.527	54%	0.543	S	S	.	.	H	α-helix	trans	-65	-40.8	175.4	-68.4	0	0	0	0	111.5	C11 V12 V17 L18 V19	C11-C15 WeakPolarHBondContact O-CB 3.33Å; C11-C15 PolarHBondContact O-N 3.03Å; C11-C15 PolarHBondContact O-SG 2.84Å; V12-C15 PolarHBondContact O-N 2.66Å; C15-V17 VanDerWaalsContact C-N 3.34Å; C15-V17 PolarHBondContact O-N 3.47Å; C15-L18 PolarHBondContact O-N 2.6Å; C15-V19 PolarHBondContact O-N 3.11Å
16	A	55.5	Low	65.4	Low	63 Å²	63	94.7 Å²	94.7	52%	0.521	56%	0.562	S	S	.	*	H	α-helix	trans	-64	-36.6	173.9	0	0	0	0	0	112.5	V12 L13	V12-A16 WeakPolarHBondContact O-CB 3.34Å; V12-A16 PolarHBondContact O-N 3.21Å; L13-A16 PolarHBondContact O-N 3.11Å
17	V	52.5	Low	65.8	Low	108 Å²	108	96.7 Å²	96.7	66%	0.655	56%	0.561	S	S	*	*	H	α-helix	trans	-72.1	-29.2	174.3	168.3	0	0	0	0	112.5	L13 L14 C15	L13-V17 WeakPolarHBondContact O-CB 3.33Å; L13-V17 VanDerWaalsContact O-CG2 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.47Å; L13-V17 PolarHBondContact O-N 2.81Å; L14-V17 PolarHBondContact O-N 3.4Å; C15-V17 VanDerWaalsContact C-N 3.34Å; C15-V17 PolarHBondContact O-N 3.47Å
18	L	46.9	Very low	66.5	Low	140 Å²	140	94.1 Å²	94.1	73%	0.733	54%	0.544	S	S	*	.	H	α-helix	trans	-75.9	-27.9	175.4	-77.6	166.6	0	0	0	112.9	L14 C15 K20	L14-L18 WeakPolarHBondContact O-CB 3.33Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.32Å; L14-L18 PolarHBondContact O-N 3.24Å; C15-L18 PolarHBondContact O-N 2.6Å; L18-K20 PolarHBondContact O-N 2.95Å
19	V	48.5	Very low	67.2	Low	115 Å²	115	95.2 Å²	95.2	70%	0.697	55%	0.545	S	S	*	.			trans	-77.8	71	165	-171.1	0	0	0	0	109.5	C15 G21	C15-V19 PolarHBondContact O-N 3.11Å; V19-G21 VanDerWaalsContact C-N 3.26Å; V19-G21 PolarHBondContact O-N 3.33Å
20	K	47.8	Very low	67.9	Low	169 Å²	169	92.2 Å²	92.2	74%	0.735	53%	0.533	S	S	*	.			trans	-63.3	93.9	157.3	-83	-176.8	176.2	173.1	0	107.9	L18 Y22	L18-K20 PolarHBondContact O-N 2.95Å; K20-Y22 WeakPolarHBondContact O-CD2 3.44Å; K20-Y22 PolarHBondContact O-N 2.7Å
21	G	52.3	Low	68.6	Low	60 Å²	60	92.2 Å²	92.2	62%	0.619	53%	0.53	S	S	*	.			trans	-56.6	106.6	175.1	0	0	0	0	0	110	V19 N23	V19-G21 VanDerWaalsContact C-N 3.26Å; V19-G21 PolarHBondContact O-N 3.33Å; G21-N23 PolarHBondContact O-N 2.76Å
22	Y	61.1	Low	69.1	Low	136 Å²	136	93.1 Å²	93.1	53%	0.533	53%	0.527	S	S	.	.			trans	-62.3	134.8	173.1	-65.6	-92.4	0	0	0	108.6	K20 C24 H32	K20-Y22 WeakPolarHBondContact O-CD2 3.44Å; K20-Y22 PolarHBondContact O-N 2.7Å; Y22-C24 VanDerWaalsContact C-N 3.26Å; Y22-C24 PolarHBondContact O-N 3.05Å; Y22-H32 AromaticContact CE1-CD2 3.76Å; Y22-H32 AromaticContact CZ-CD2 3.72Å; Y22-H32 AromaticContact CZ-NE2 3.85Å; Y22-H32 PolarHBondContact OH-NE2 2.9Å
23	N	70.8	Confident	69.4	Low	110 Å²	110	95.3 Å²	95.3	59%	0.588	54%	0.535	S	S	*	.			trans	-72.8	81.9	-177.2	-72.9	-27.8	0	0	0	110.4	G21 T52	G21-N23 PolarHBondContact O-N 2.76Å; N23-T52 WeakPolarHBondContact CB-O 3.43Å
24	C	80.9	Confident	69.5	Low	52 Å²	52	95.2 Å²	95.2	35%	0.351	54%	0.542	S	S	.	.			trans	-91.3	123.3	173.6	-159.5	0	0	0	0	109.8	Y22 G26 C28 C30	Y22-C24 VanDerWaalsContact C-N 3.26Å; Y22-C24 PolarHBondContact O-N 3.05Å; C24-G26 PolarHBondContact O-N 2.84Å; C24-C28 PolarHBondContact SG-O 2.93Å; C24-C30 WeakPolarHBondContact CA-SG 3.33Å; C24-C30 HydrophobicContact CB-CB 3.9Å; C24-C30 WeakPolarHBondContact CB-SG 3.27Å; C24-C30 WeakPolarHBondContact SG-CB 3.4Å; C24-C30 PolarHBondContact SG-N 3.1Å; C24-C30 CovalentContact SG-SG 2.04Å; C24-C30 PolarHBondContact SG-SG 2.81Å
25	P	85.6	Confident	70	Confident	9 Å²	9	96.5 Å²	96.5	6%	0.058	56%	0.557	C	S	.	*			trans	-62.6	130	172.8	-17	28.7	0	0	0	110.1	R27 C28 P50 I53	P25-R27 PolarHBondContact O-N 3.18Å; P25-C28 HydrophobicContact CB-CB 4.42Å; P25-C28 PolarHBondContact O-N 3.38Å; P25-P50 HydrophobicContact CB-CB 3.85Å; P25-P50 HydrophobicContact CB-CG 4.26Å; P25-P50 HydrophobicContact CG-CB 3.78Å; P25-P50 HydrophobicContact CG-CG 4.32Å; P25-I53 HydrophobicContact CG-CG1 4.19Å
26	G	78.9	Confident	71.2	Confident	91 Å²	91	95.5 Å²	95.5	94%	0.938	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	8.4	-169.9	0	0	0	0	0	118	C24	C24-G26 PolarHBondContact O-N 2.84Å
27	R	83.3	Confident	72.7	Confident	167 Å²	167	93.1 Å²	93.1	63%	0.63	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-5.6	167.4	-67.6	-168.2	-179.7	-172.3	3.1	113.4	P25 T44	P25-R27 PolarHBondContact O-N 3.18Å; R27-T44 HydrophobicContact CB-CG2 4.45Å; R27-T44 PolarHBondContact NH1-O 3.12Å; R27-T44 VanDerWaalsContact NH1-O 3.08Å; R27-T44 WeakPolarHBondContact O-CG2 3.34Å
28	C	89.4	Confident	74.5	Confident	15 Å²	15	88.8 Å²	88.8	10%	0.101	50%	0.5	C	S	.	.	S	Bend	trans	-110.2	157	-172.9	-53.5	0	0	0	0	111.2	C24 P25 L39 L40 C41	C24-C28 PolarHBondContact SG-O 2.93Å; P25-C28 HydrophobicContact CB-CB 4.42Å; P25-C28 PolarHBondContact O-N 3.38Å; C28-L39 HydrophobicContact CB-CD2 4Å; C28-L40 CarbonylContact C-O 3.58Å; C28-L40 VanDerWaalsContact CA-O 3.31Å; C28-L40 WeakPolarHBondContact CA-O 3.31Å; C28-L40 WeakPolarHBondContact CB-O 3.37Å; C28-C41 HydrophobicContact CB-CB 4.05Å; C28-C41 WeakPolarHBondContact CB-SG 3.43Å; C28-C41 WeakPolarHBondContact SG-CB 3.43Å; C28-C41 CovalentContact SG-SG 2.03Å; C28-C41 PolarHBondContact SG-SG 3.3Å
29	I	90	Very high	76.6	Confident	109 Å²	109	82.2 Å²	82.2	56%	0.559	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.9	175.2	-57.3	171.7	0	0	0	107.6	Q31 L40	I29-Q31 HydrophobicContact CG2-CG 4.28Å; I29-L40 HydrophobicContact CB-CB 4.37Å; I29-L40 PolarHBondContact N-O 3Å; I29-L40 PolarHBondContact O-N 3.18Å
30	C	88.3	Confident	78.8	Confident	42 Å²	42	78.7 Å²	78.7	28%	0.284	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.6	175.4	-57.2	0	0	0	0	109.7	C24	C24-C30 WeakPolarHBondContact CA-SG 3.33Å; C24-C30 HydrophobicContact CB-CB 3.9Å; C24-C30 WeakPolarHBondContact CB-SG 3.27Å; C24-C30 WeakPolarHBondContact SG-CB 3.4Å; C24-C30 PolarHBondContact SG-N 3.1Å; C24-C30 CovalentContact SG-SG 2.04Å; C24-C30 PolarHBondContact SG-SG 2.81Å
31	Q	86.5	Confident	81	Confident	105 Å²	105	70.6 Å²	70.6	49%	0.491	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.5	177.8	-66.6	-179.2	-18	0	0	109.1	I29 T38	I29-Q31 HydrophobicContact CG2-CG 4.28Å; Q31-T38 PolarHBondContact N-O 2.82Å; Q31-T38 PolarHBondContact O-N 2.86Å
32	H	80.8	Confident	82.9	Confident	92 Å²	92	70.1 Å²	70.1	43%	0.426	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	86.6	179.2	-176.4	-69.9	0	0	0	109.3	Y22 S34 L37	Y22-H32 AromaticContact CE1-CD2 3.76Å; Y22-H32 AromaticContact CZ-CD2 3.72Å; Y22-H32 AromaticContact CZ-NE2 3.85Å; Y22-H32 PolarHBondContact OH-NE2 2.9Å; H32-S34 PolarHBondContact CE1-OG 3.14Å; H32-S34 VanDerWaalsContact CE1-OG 3.28Å; H32-L37 HydrophobicContact CB-CD1 4.46Å
33	L	75.8	Confident	84.5	Confident	138 Å²	138	71.4 Å²	71.4	72%	0.723	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	82.5	-179.1	-151.1	77.9	0	0	0	108.4	P35 T36	L33-P35 VanDerWaalsContact O-N 3.16Å; L33-T36 CarbonylContact C-O 3.59Å; L33-T36 PolarHBondContact N-O 2.91Å; L33-T36 PolarHBondContact O-N 3.17Å; L33-T36 PolarHBondContact O-OG1 2.94Å; L33-T36 VanDerWaalsContact O-OG1 3.06Å
34	S	68.5	Low	85.5	Confident	97 Å²	97	67.6 Å²	67.6	68%	0.678	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.2	119.3	-170.7	-57	0	0	0	0	112.5	H32	H32-S34 PolarHBondContact CE1-OG 3.14Å; H32-S34 VanDerWaalsContact CE1-OG 3.28Å
35	P	70.3	Confident	86.1	Confident	130 Å²	130	66.5 Å²	66.5	84%	0.844	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.3	-1.5	16.1	37.2	-37.2	0	0	0	116.5	L33	L33-P35 VanDerWaalsContact O-N 3.16Å
36	T	81.4	Confident	86.5	Confident	57 Å²	57	66.9 Å²	66.9	35%	0.35	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.8	-172.2	49.8	0	0	0	0	113.3	L33 V58	L33-T36 CarbonylContact C-O 3.59Å; L33-T36 PolarHBondContact N-O 2.91Å; L33-T36 PolarHBondContact O-N 3.17Å; L33-T36 PolarHBondContact O-OG1 2.94Å; L33-T36 VanDerWaalsContact O-OG1 3.06Å; T36-V58 HydrophobicContact CG2-CG1 4.25Å
37	L	86.3	Confident	87.2	Confident	14 Å²	14	68.1 Å²	68.1	7%	0.073	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.3	166.3	177.7	60.5	0	0	0	108.7	H32 D54 K56 V58 E59	H32-L37 HydrophobicContact CB-CD1 4.46Å; L37-D54 HydrophobicContact CD2-CB 4.01Å; L37-K56 HydrophobicContact CD2-CB 4.44Å; L37-V58 PolarHBondContact O-N 3.5Å; L37-E59 PolarHBondContact O-N 3.42Å
38	T	90.7	Very high	87.8	Confident	16 Å²	16	65 Å²	65	10%	0.098	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.7	179.7	-68.2	0	0	0	0	109.7	Q31 L40 E59	Q31-T38 PolarHBondContact N-O 2.82Å; Q31-T38 PolarHBondContact O-N 2.86Å; T38-L40 HydrophobicContact CG2-CD2 3.66Å; T38-L40 HydrophobicContact CG2-CG 3.97Å; T38-E59 WeakPolarHBondContact CA-O 3.2Å; T38-E59 HydrophobicContact CG2-CB 4.14Å; T38-E59 HydrophobicContact CG2-CG 4.01Å; T38-E59 WeakPolarHBondContact CG2-OE2 3.21Å; T38-E59 PolarHBondContact OG1-OE2 3.2Å
39	L	92.5	Very high	88.1	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.5	-176.5	-162.1	153.7	0	0	0	110.6	C28 C41 I53 T57 E59 L60 R61	C28-L39 HydrophobicContact CB-CD2 4Å; L39-C41 WeakPolarHBondContact CD2-SG 3.32Å; L39-I53 HydrophobicContact CD1-CG1 4.37Å; L39-I53 HydrophobicContact CD1-CG2 4.32Å; L39-T57 HydrophobicContact CB-CG2 3.78Å; L39-E59 PolarHBondContact N-O 3.16Å; L39-L60 HydrophobicContact CB-CD1 4.04Å; L39-L60 HydrophobicContact CD2-CD1 3.61Å; L39-L60 HydrophobicContact CG-CD1 4.33Å; L39-R61 PolarHBondContact O-N 3.27Å
40	L	93.1	Very high	88.2	Confident	41 Å²	41	59.5 Å²	59.5	22%	0.215	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.9	-170	-54.6	175.8	0	0	0	110.5	C28 I29 T38 R61	C28-L40 CarbonylContact C-O 3.58Å; C28-L40 VanDerWaalsContact CA-O 3.31Å; C28-L40 WeakPolarHBondContact CA-O 3.31Å; C28-L40 WeakPolarHBondContact CB-O 3.37Å; I29-L40 HydrophobicContact CB-CB 4.37Å; I29-L40 PolarHBondContact N-O 3Å; I29-L40 PolarHBondContact O-N 3.18Å; T38-L40 HydrophobicContact CG2-CD2 3.66Å; T38-L40 HydrophobicContact CG2-CG 3.97Å; L40-R61 HydrophobicContact CD2-CB 3.94Å; L40-R61 HydrophobicContact CD2-CG 3.85Å
41	C	93.8	Very high	88.1	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.346	C	S	.	.			trans	-119	25.9	176.1	-52.9	0	0	0	0	112.5	C28 L39 K43 T44 L46 R61 L62 N65	C28-C41 HydrophobicContact CB-CB 4.05Å; C28-C41 WeakPolarHBondContact CB-SG 3.43Å; C28-C41 WeakPolarHBondContact SG-CB 3.43Å; C28-C41 CovalentContact SG-SG 2.03Å; C28-C41 PolarHBondContact SG-SG 3.3Å; L39-C41 WeakPolarHBondContact CD2-SG 3.32Å; C41-K43 PolarHBondContact O-N 2.02Å; C41-T44 HydrophobicContact CB-CG2 4.44Å; C41-T44 VanDerWaalsContact O-CG2 3.31Å; C41-T44 WeakPolarHBondContact O-CG2 3.31Å; C41-T44 PolarHBondContact O-OG1 2.78Å; C41-L46 HydrophobicContact CB-CD1 3.67Å; C41-R61 PolarHBondContact N-O 3.39Å; C41-L62 HydrophobicContact CB-CD2 3.6Å; C41-L62 VanDerWaalsContact SG-CD2 3.53Å; C41-N65 PolarHBondContact O-ND2 2.99Å
42	A	92.9	Very high	88.2	Confident	49 Å²	49	60.2 Å²	60.2	41%	0.405	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	134	-175.7	0	0	0	0	0	112.1	T44 T63	A42-T44 VanDerWaalsContact C-N 3.33Å; A42-T44 PolarHBondContact O-N 2.79Å; A42-T63 VanDerWaalsContact CA-O 3.29Å; A42-T63 WeakPolarHBondContact CA-O 3.41Å; A42-T63 WeakPolarHBondContact CB-OG1 3.43Å
43	K	94.1	Very high	88.6	Confident	164 Å²	164	56.1 Å²	56.1	71%	0.713	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	32.5	177.6	-58.4	-178.9	-179.1	-176.6	0	115.1	C41 T63 D64	C41-K43 PolarHBondContact O-N 2.02Å; K43-T63 PolarHBondContact N-O 2.83Å; K43-T63 VanDerWaalsContact N-O 3.1Å; K43-D64 WeakPolarHBondContact CA-O 3.31Å; K43-D64 HydrophobicContact CB-CB 4.46Å; K43-D64 HydrophobicContact CD-CB 4.36Å; K43-D64 HydrophobicContact CG-CB 3.41Å; K43-D64 VanDerWaalsContact CG-CB 3.41Å
44	T	92.5	Very high	89.2	Confident	30 Å²	30	51.1 Å²	51.1	18%	0.184	30%	0.3	C	S	.	.	S	Bend	trans	-99.1	2.5	-174.7	58.2	0	0	0	0	114.8	R27 C41 A42 L46 N65	R27-T44 HydrophobicContact CB-CG2 4.45Å; R27-T44 PolarHBondContact NH1-O 3.12Å; R27-T44 VanDerWaalsContact NH1-O 3.08Å; R27-T44 WeakPolarHBondContact O-CG2 3.34Å; C41-T44 HydrophobicContact CB-CG2 4.44Å; C41-T44 VanDerWaalsContact O-CG2 3.31Å; C41-T44 WeakPolarHBondContact O-CG2 3.31Å; C41-T44 PolarHBondContact O-OG1 2.78Å; A42-T44 VanDerWaalsContact C-N 3.33Å; A42-T44 PolarHBondContact O-N 2.79Å; T44-L46 WeakPolarHBondContact OG1-CD1 3.25Å; T44-L46 WeakPolarHBondContact OG1-CG 3.03Å; T44-N65 PolarHBondContact N-OD1 3.34Å; T44-N65 VanDerWaalsContact N-OD1 3.14Å; T44-N65 PolarHBondContact OG1-OD1 2.88Å
45	G	93.5	Very high	90.2	Very high	28 Å²	28	49.8 Å²	49.8	29%	0.289	28%	0.28	S	S	.	.			trans	67.6	33.8	178	0	0	0	0	0	113.4	N65	G45-N65 PolarHBondContact N-OD1 3.14Å
46	L	94.2	Very high	91.1	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.094	27%	0.27	C	S	.	.			trans	-73.9	126.4	179.5	-71.2	168.4	0	0	0	111.5	C41 T44 P50 N65 F66 I67	C41-L46 HydrophobicContact CB-CD1 3.67Å; T44-L46 WeakPolarHBondContact OG1-CD1 3.25Å; T44-L46 WeakPolarHBondContact OG1-CG 3.03Å; L46-P50 HydrophobicContact CD1-CG 3.8Å; L46-P50 HydrophobicContact CD2-CG 3.9Å; L46-N65 HydrophobicContact CB-CB 4.19Å; L46-N65 PolarHBondContact N-OD1 2.82Å; L46-F66 CarbonylContact O-C 3.17Å; L46-F66 WeakPolarHBondContact O-CA 3.4Å; L46-F66 PolarHBondContact O-N 3.05Å; L46-I67 HydrophobicContact CB-CG1 4.4Å; L46-I67 PolarHBondContact O-N 3.15Å
47	L	94.3	Very high	91.6	Very high	116 Å²	116	47.9 Å²	47.9	61%	0.607	25%	0.253	S	S	*	.	S	Bend	trans	-85.8	-15.4	172.4	-58.4	175.8	0	0	0	112.7	F66	L47-F66 HydrophobicContact CD2-CB 4.04Å
48	F	94.9	Very high	91.9	Very high	101 Å²	101	48.9 Å²	48.9	44%	0.443	26%	0.26	S	S	.	.	S	Bend	trans	-155.6	157.9	-177.7	52.3	-98.4	0	0	0	110.5	P50	F48-P50 WeakPolarHBondContact O-CD 3.49Å
49	V	94.8	Very high	92.1	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.263	C	S	.	.			trans	-61.9	126.1	173.5	-177.3	0	0	0	0	109.7	I53 L62 I67 D74 F75	V49-I53 HydrophobicContact CG1-CD1 3.69Å; V49-L62 HydrophobicContact CB-CD1 4.44Å; V49-L62 HydrophobicContact CG1-CD1 4Å; V49-L62 HydrophobicContact CG2-CD1 4.01Å; V49-I67 HydrophobicContact CG2-CD1 4.11Å; V49-I67 HydrophobicContact CG2-CG2 4.42Å; V49-D74 HydrophobicContact CB-CB 3.8Å; V49-D74 HydrophobicContact CG1-CB 3.95Å; V49-D74 HydrophobicContact CG2-CB 4.09Å; V49-F75 HydrophobicContact CG1-CE1 3.84Å; V49-F75 HydrophobicContact CG1-CZ 4.29Å; V49-F75 HydrophobicContact CG2-CE1 4.22Å; V49-F75 HydrophobicContact CG2-CZ 3.8Å
50	P	92.2	Very high	92.3	Very high	8 Å²	8	49.5 Å²	49.5	5%	0.052	26%	0.262	C	S	.	.			trans	-59.1	130.2	180	-25.7	33.4	0	0	0	112.5	P25 L46 F48 T52 I53	P25-P50 HydrophobicContact CB-CB 3.85Å; P25-P50 HydrophobicContact CB-CG 4.26Å; P25-P50 HydrophobicContact CG-CB 3.78Å; P25-P50 HydrophobicContact CG-CG 4.32Å; L46-P50 HydrophobicContact CD1-CG 3.8Å; L46-P50 HydrophobicContact CD2-CG 3.9Å; F48-P50 WeakPolarHBondContact O-CD 3.49Å; P50-T52 VanDerWaalsContact C-N 3.26Å; P50-T52 PolarHBondContact O-N 2.93Å; P50-I53 HydrophobicContact CB-CD1 4.42Å; P50-I53 HydrophobicContact CB-CG1 4.28Å; P50-I53 WeakPolarHBondContact O-CD1 3.11Å; P50-I53 WeakPolarHBondContact O-CG1 3.02Å
51	P	88	Confident	92.4	Very high	88 Å²	88	52.9 Å²	52.9	57%	0.571	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.9	-178.3	27.9	-34.3	0	0	0	113.1	I53 R55	P51-I53 VanDerWaalsContact C-N 3.27Å; P51-I53 PolarHBondContact O-N 3.27Å; P51-R55 PolarHBondContact O-NH2 2.84Å
52	T	87.5	Confident	92.5	Very high	75 Å²	75	52.9 Å²	52.9	46%	0.46	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	13	-173.9	53.6	0	0	0	0	114.6	N23 P50 D54	N23-T52 WeakPolarHBondContact CB-O 3.43Å; P50-T52 VanDerWaalsContact C-N 3.26Å; P50-T52 PolarHBondContact O-N 2.93Å; T52-D54 PolarHBondContact O-N 3.35Å
53	I	89.6	Confident	92.7	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.026	26%	0.257	C	S	.	.			trans	-64.1	131.7	177.6	-70.3	167.3	0	0	0	111.1	P25 L39 V49 P50 P51 R55 L60 M78	P25-I53 HydrophobicContact CG-CG1 4.19Å; L39-I53 HydrophobicContact CD1-CG1 4.37Å; L39-I53 HydrophobicContact CD1-CG2 4.32Å; V49-I53 HydrophobicContact CG1-CD1 3.69Å; P50-I53 HydrophobicContact CB-CD1 4.42Å; P50-I53 HydrophobicContact CB-CG1 4.28Å; P50-I53 WeakPolarHBondContact O-CD1 3.11Å; P50-I53 WeakPolarHBondContact O-CG1 3.02Å; P51-I53 VanDerWaalsContact C-N 3.27Å; P51-I53 PolarHBondContact O-N 3.27Å; I53-R55 PolarHBondContact O-N 3.2Å; I53-R55 PolarHBondContact O-NE 3.18Å; I53-L60 HydrophobicContact CD1-CD1 4.16Å; I53-L60 HydrophobicContact CD1-CD2 4.02Å; I53-M78 HydrophobicContact CG2-CE 3.54Å; I53-M78 HydrophobicContact CG2-SD 4.01Å
54	D	88.6	Confident	92.8	Very high	33 Å²	33	45.6 Å²	45.6	18%	0.176	23%	0.234	C	C	.	.			trans	-64.7	129.4	170.1	-168.7	-24.7	0	0	0	110.9	L37 T52 K56 T57	L37-D54 HydrophobicContact CD2-CB 4.01Å; T52-D54 PolarHBondContact O-N 3.35Å; D54-K56 PolarHBondContact O-N 3.08Å; D54-K56 WeakPolarHBondContact OD1-CB 3.41Å; D54-K56 PolarHBondContact OD1-N 2.85Å; D54-T57 WeakPolarHBondContact O-CB 3.43Å; D54-T57 PolarHBondContact O-N 3.3Å; D54-T57 VanDerWaalsContact O-N 3.17Å; D54-T57 PolarHBondContact O-OG1 2.81Å
55	R	90.1	Very high	93	Very high	69 Å²	69	44.3 Å²	44.3	26%	0.26	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.3	-176.7	-51.9	-59.3	161.3	164.6	-19.6	113.5	P51 I53 D74 F76 M78	P51-R55 PolarHBondContact O-NH2 2.84Å; I53-R55 PolarHBondContact O-N 3.2Å; I53-R55 PolarHBondContact O-NE 3.18Å; R55-D74 PolarHBondContact NH1-O 2.8Å; R55-D74 PolarHBondContact NH2-O 3.3Å; R55-F76 WeakPolarHBondContact CD-O 3.15Å; R55-F76 PolarHBondContact NH1-O 3.07Å; R55-M78 HydrophobicContact CB-CG 4.45Å
56	K	88.9	Confident	93.2	Very high	147 Å²	147	48.7 Å²	48.7	64%	0.639	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-1.1	170.2	-61.2	-179.5	178.4	-176.7	0	114.2	L37 D54 V58	L37-K56 HydrophobicContact CD2-CB 4.44Å; D54-K56 PolarHBondContact O-N 3.08Å; D54-K56 WeakPolarHBondContact OD1-CB 3.41Å; D54-K56 PolarHBondContact OD1-N 2.85Å; K56-V58 PolarHBondContact O-N 2.88Å
57	T	91	Very high	93.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.234	C	C	.	.			trans	-56.6	126.7	177.6	-58.9	0	0	0	0	110.8	L39 D54 E59 L60 L81	L39-T57 HydrophobicContact CB-CG2 3.78Å; D54-T57 WeakPolarHBondContact O-CB 3.43Å; D54-T57 PolarHBondContact O-N 3.3Å; D54-T57 VanDerWaalsContact O-N 3.17Å; D54-T57 PolarHBondContact O-OG1 2.81Å; T57-E59 WeakPolarHBondContact CG2-O 3.27Å; T57-L60 HydrophobicContact CG2-CB 4.15Å; T57-L81 HydrophobicContact CG2-CD1 4.28Å; T57-L81 WeakPolarHBondContact O-CA 3.48Å; T57-L81 WeakPolarHBondContact O-CD1 3.28Å; T57-L81 PolarHBondContact O-N 2.03Å
58	V	93.8	Very high	93.5	Very high	35 Å²	35	45.5 Å²	45.5	21%	0.212	22%	0.224	C	C	.	.	S	Bend	trans	-92.2	-31.7	-179.6	-178.6	0	0	0	0	111.4	T36 L37 K56 V82 H83	T36-V58 HydrophobicContact CG2-CG1 4.25Å; L37-V58 PolarHBondContact O-N 3.5Å; K56-V58 PolarHBondContact O-N 2.88Å; V58-V82 HydrophobicContact CG1-CB 4.2Å; V58-V82 HydrophobicContact CG1-CG2 3.92Å; V58-V82 PolarHBondContact O-N 3.48Å; V58-H83 PolarHBondContact O-N 3.33Å
59	E	94.4	Very high	93.5	Very high	32 Å²	32	43.8 Å²	43.8	15%	0.15	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.3	177.4	173.5	176.5	-144.7	0	0	110.4	L37 T38 L39 T57 R61 H83	L37-E59 PolarHBondContact O-N 3.42Å; T38-E59 WeakPolarHBondContact CA-O 3.2Å; T38-E59 HydrophobicContact CG2-CB 4.14Å; T38-E59 HydrophobicContact CG2-CG 4.01Å; T38-E59 WeakPolarHBondContact CG2-OE2 3.21Å; T38-E59 PolarHBondContact OG1-OE2 3.2Å; L39-E59 PolarHBondContact N-O 3.16Å; T57-E59 WeakPolarHBondContact CG2-O 3.27Å; E59-R61 HydrophobicContact CG-CG 4.23Å; E59-R61 IonicContact OE1-CZ 3.05Å; E59-R61 IonicContact OE1-NE 3.74Å; E59-R61 PolarHBondContact OE1-NE 3.49Å; E59-R61 IonicContact OE1-NH2 2.72Å; E59-R61 PolarHBondContact OE1-NH2 3.48Å; E59-R61 IonicContact OE2-NH2 3.87Å; E59-H83 WeakPolarHBondContact CA-O 3.34Å; E59-H83 HydrophobicContact CB-CB 4.48Å; E59-H83 HydrophobicContact CG-CB 4.2Å
60	L	95.2	Very high	93.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	111.3	-177.7	178.6	58.3	0	0	0	110.8	L39 I53 T57 L62 F75 M78 L81 H83 L84 T85	L39-L60 HydrophobicContact CB-CD1 4.04Å; L39-L60 HydrophobicContact CD2-CD1 3.61Å; L39-L60 HydrophobicContact CG-CD1 4.33Å; I53-L60 HydrophobicContact CD1-CD1 4.16Å; I53-L60 HydrophobicContact CD1-CD2 4.02Å; T57-L60 HydrophobicContact CG2-CB 4.15Å; L60-L62 HydrophobicContact CD1-CD2 3.76Å; L60-L62 HydrophobicContact CD1-CG 4.16Å; L60-L62 HydrophobicContact CD2-CD1 4.48Å; L60-L62 HydrophobicContact CG-CD2 4.29Å; L60-L62 HydrophobicContact CG-CG 4.13Å; L60-F75 HydrophobicContact CD2-CD1 4.1Å; L60-F75 HydrophobicContact CD2-CE1 3.77Å; L60-M78 HydrophobicContact CD2-CE 4.18Å; L60-L81 HydrophobicContact CB-CD1 3.71Å; L60-H83 PolarHBondContact N-O 3.46Å; L60-L84 HydrophobicContact CB-CD1 4.03Å; L60-L84 HydrophobicContact CD2-CD1 3.86Å; L60-L84 HydrophobicContact CG-CD1 3.95Å; L60-T85 PolarHBondContact O-N 2.94Å
61	R	96.1	Very high	93.8	Very high	111 Å²	111	46.9 Å²	46.9	42%	0.419	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.8	178.6	-53.7	-166.8	-169	173.9	3.1	111.2	L39 L40 C41 E59	L39-R61 PolarHBondContact O-N 3.27Å; L40-R61 HydrophobicContact CD2-CB 3.94Å; L40-R61 HydrophobicContact CD2-CG 3.85Å; C41-R61 PolarHBondContact N-O 3.39Å; E59-R61 HydrophobicContact CG-CG 4.23Å; E59-R61 IonicContact OE1-CZ 3.05Å; E59-R61 IonicContact OE1-NE 3.74Å; E59-R61 PolarHBondContact OE1-NE 3.49Å; E59-R61 IonicContact OE1-NH2 2.72Å; E59-R61 PolarHBondContact OE1-NH2 3.48Å; E59-R61 IonicContact OE2-NH2 3.87Å
62	L	96.1	Very high	94.1	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.226	C	C	.	.			trans	-112.3	28.9	178.3	-53.1	-177.7	0	0	0	112.2	C41 V49 L60 N65 I67 F75 T85 L86 N89	C41-L62 HydrophobicContact CB-CD2 3.6Å; C41-L62 VanDerWaalsContact SG-CD2 3.53Å; V49-L62 HydrophobicContact CB-CD1 4.44Å; V49-L62 HydrophobicContact CG1-CD1 4Å; V49-L62 HydrophobicContact CG2-CD1 4.01Å; L60-L62 HydrophobicContact CD1-CD2 3.76Å; L60-L62 HydrophobicContact CD1-CG 4.16Å; L60-L62 HydrophobicContact CD2-CD1 4.48Å; L60-L62 HydrophobicContact CG-CD2 4.29Å; L60-L62 HydrophobicContact CG-CG 4.13Å; L62-N65 VanDerWaalsContact C-ND2 3.34Å; L62-N65 PolarHBondContact O-ND2 2.98Å; L62-I67 HydrophobicContact CB-CD1 4.23Å; L62-I67 HydrophobicContact CD1-CD1 4.02Å; L62-F75 HydrophobicContact CD1-CE1 4.39Å; L62-F75 HydrophobicContact CD1-CZ 4.48Å; L62-T85 PolarHBondContact N-O 3.17Å; L62-L86 HydrophobicContact CB-CD2 3.97Å; L62-L86 HydrophobicContact CD1-CD2 3.77Å; L62-L86 HydrophobicContact CG-CD2 4.13Å; L62-N89 PolarHBondContact O-ND2 3.18Å
63	T	96.3	Very high	94.3	Very high	15 Å²	15	52.2 Å²	52.2	9%	0.092	23%	0.233	C	C	.	.			trans	-67.3	157.8	-171.6	72.3	0	0	0	0	113.7	A42 K43 N65 T85 S87	A42-T63 VanDerWaalsContact CA-O 3.29Å; A42-T63 WeakPolarHBondContact CA-O 3.41Å; A42-T63 WeakPolarHBondContact CB-OG1 3.43Å; K43-T63 PolarHBondContact N-O 2.83Å; K43-T63 VanDerWaalsContact N-O 3.1Å; T63-N65 PolarHBondContact O-N 2.85Å; T63-N65 PolarHBondContact O-ND2 3.34Å; T63-T85 HydrophobicContact CG2-CG2 3.41Å; T63-T85 VanDerWaalsContact CG2-CG2 3.41Å; T63-S87 VanDerWaalsContact CA-O 3.23Å; T63-S87 WeakPolarHBondContact CA-O 3.44Å
64	D	97	Very high	94.5	Very high	45 Å²	45	52.1 Å²	52.1	24%	0.241	23%	0.233	C	C	.	.	S	Bend	trans	57.7	48.3	172.2	-49.1	-95.8	0	0	0	112.1	K43 S87 R88	K43-D64 WeakPolarHBondContact CA-O 3.31Å; K43-D64 HydrophobicContact CB-CB 4.46Å; K43-D64 HydrophobicContact CD-CB 4.36Å; K43-D64 HydrophobicContact CG-CB 3.41Å; K43-D64 VanDerWaalsContact CG-CB 3.41Å; D64-S87 PolarHBondContact N-O 2.91Å; D64-S87 VanDerWaalsContact N-O 3.12Å; D64-R88 WeakPolarHBondContact CA-O 3.45Å; D64-R88 PolarHBondContact N-O 3.42Å; D64-R88 IonicContact OD1-CZ 3.83Å; D64-R88 IonicContact OD1-NE 2.67Å; D64-R88 PolarHBondContact OD1-NE 2.8Å; D64-R88 IonicContact OD1-NH2 2.67Å; D64-R88 PolarHBondContact OD1-NH2 3.13Å; D64-R88 IonicContact OD2-CZ 3.16Å; D64-R88 IonicContact OD2-NE 2.67Å; D64-R88 IonicContact OD2-NH2 2.81Å; D64-R88 PolarHBondContact OD2-NH2 3.44Å
65	N	97	Very high	94.8	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	23%	0.225	C	C	.	.	S	Bend	trans	-126.7	-172.7	179.9	-77.8	-65.1	0	0	0	110.4	C41 T44 G45 L46 L62 T63 I67 R88 N89	C41-N65 PolarHBondContact O-ND2 2.99Å; T44-N65 PolarHBondContact N-OD1 3.34Å; T44-N65 VanDerWaalsContact N-OD1 3.14Å; T44-N65 PolarHBondContact OG1-OD1 2.88Å; G45-N65 PolarHBondContact N-OD1 3.14Å; L46-N65 HydrophobicContact CB-CB 4.19Å; L46-N65 PolarHBondContact N-OD1 2.82Å; L62-N65 VanDerWaalsContact C-ND2 3.34Å; L62-N65 PolarHBondContact O-ND2 2.98Å; T63-N65 PolarHBondContact O-N 2.85Å; T63-N65 PolarHBondContact O-ND2 3.34Å; N65-I67 HydrophobicContact CB-CG1 4.38Å; N65-R88 PolarHBondContact N-O 3.02Å; N65-N89 WeakPolarHBondContact CA-OD1 3.26Å; N65-N89 WeakPolarHBondContact CB-OD1 3.19Å; N65-N89 WeakPolarHBondContact O-CA 3.44Å; N65-N89 PolarHBondContact O-OD1 3.1Å
66	F	97.4	Very high	94.8	Very high	121 Å²	121	53.1 Å²	53.1	53%	0.531	24%	0.238	S	C	.	.			trans	-121	34.6	-175.3	-53.5	-62.5	0	0	0	111.4	L46 L47 T68 N89 T90	L46-F66 CarbonylContact O-C 3.17Å; L46-F66 WeakPolarHBondContact O-CA 3.4Å; L46-F66 PolarHBondContact O-N 3.05Å; L47-F66 HydrophobicContact CD2-CB 4.04Å; F66-T68 PolarHBondContact O-N 3.33Å; F66-N89 PolarHBondContact N-OD1 2.86Å; F66-T90 PolarHBondContact O-OG1 3.48Å
67	I	97.4	Very high	94.8	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	23%	0.231	C	C	.	.			trans	-69.8	130.2	177.1	-57.1	174.9	0	0	0	108.1	L46 V49 L62 N65 N89 T90 I91	L46-I67 HydrophobicContact CB-CG1 4.4Å; L46-I67 PolarHBondContact O-N 3.15Å; V49-I67 HydrophobicContact CG2-CD1 4.11Å; V49-I67 HydrophobicContact CG2-CG2 4.42Å; L62-I67 HydrophobicContact CB-CD1 4.23Å; L62-I67 HydrophobicContact CD1-CD1 4.02Å; N65-I67 HydrophobicContact CB-CG1 4.38Å; I67-N89 WeakPolarHBondContact CB-OD1 3.49Å; I67-N89 WeakPolarHBondContact CG1-OD1 3.41Å; I67-N89 PolarHBondContact N-OD1 2.98Å; I67-N89 VanDerWaalsContact N-OD1 3.09Å; I67-T90 CarbonylContact O-C 3.54Å; I67-T90 WeakPolarHBondContact O-CA 3.37Å; I67-T90 PolarHBondContact O-N 2.99Å; I67-T90 PolarHBondContact O-OG1 2.66Å; I67-I91 HydrophobicContact CB-CG1 4.29Å; I67-I91 HydrophobicContact CG2-CD1 4.49Å; I67-I91 HydrophobicContact CG2-CG1 4.16Å; I67-I91 VanDerWaalsContact O-CG1 3.3Å; I67-I91 WeakPolarHBondContact O-CG1 3.02Å; I67-I91 PolarHBondContact O-N 2.9Å
68	T	96.5	Very high	94.9	Very high	66 Å²	66	50.5 Å²	50.5	41%	0.405	23%	0.231	S	C	.	.			trans	-108	-30.3	-176.7	51	0	0	0	0	114	F66 T90 I91 S92 Q93	F66-T68 PolarHBondContact O-N 3.33Å; T68-T90 WeakPolarHBondContact CG2-OG1 3.49Å; T68-I91 WeakPolarHBondContact O-CA 3.38Å; T68-S92 PolarHBondContact O-N 2.03Å; T68-Q93 PolarHBondContact O-N 2.84Å
69	I	96.8	Very high	94.8	Very high	64 Å²	64	51.8 Å²	51.8	33%	0.328	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	129.2	-175.3	-54	179.2	0	0	0	109.5	R71 Q93	I69-R71 HydrophobicContact CG2-CG 4.21Å; I69-Q93 WeakPolarHBondContact CA-O 2.99Å; I69-Q93 HydrophobicContact CG1-CB 4.35Å; I69-Q93 HydrophobicContact CG2-CB 4.32Å
70	I	96.9	Very high	94.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.1	166.5	-56.5	176.5	0	0	0	108.9	F75 L86 I91 Q93 I94 T95 A98 F99 M110	I70-F75 HydrophobicContact CD1-CE2 4.35Å; I70-F75 HydrophobicContact CG2-CD2 3.86Å; I70-F75 HydrophobicContact CG2-CE2 3.52Å; I70-L86 HydrophobicContact CD1-CD1 3.49Å; I70-L86 VanDerWaalsContact CD1-CD1 3.49Å; I70-L86 HydrophobicContact CG1-CD1 4.38Å; I70-I91 HydrophobicContact CD1-CD1 4.18Å; I70-I91 HydrophobicContact CD1-CG2 4.31Å; I70-I91 HydrophobicContact CG1-CD1 4.18Å; I70-I91 HydrophobicContact CG1-CG2 4.07Å; I70-Q93 PolarHBondContact N-O 2.85Å; I70-I94 HydrophobicContact CB-CG2 4.41Å; I70-I94 HydrophobicContact CD1-CG1 4.31Å; I70-T95 WeakPolarHBondContact O-CG2 3.46Å; I70-T95 PolarHBondContact O-N 3.06Å; I70-T95 PolarHBondContact O-OG1 2.79Å; I70-A98 HydrophobicContact CG2-CB 3.89Å; I70-F99 HydrophobicContact CD1-CE1 4.18Å; I70-F99 HydrophobicContact CD1-CZ 3.75Å; I70-F99 HydrophobicContact CG2-CE1 4.45Å; I70-M110 HydrophobicContact CD1-CE 3.46Å; I70-M110 VanDerWaalsContact CD1-CE 3.46Å; I70-M110 HydrophobicContact CD1-SD 4.46Å
71	R	95.5	Very high	94.7	Very high	75 Å²	75	52.7 Å²	52.7	28%	0.283	25%	0.249	S	C	.	.			trans	-109.3	145.9	-179.1	-48.4	162.9	-62.7	-154.4	1.4	110.5	I69 K73 D74 T95	I69-R71 HydrophobicContact CG2-CG 4.21Å; R71-K73 HydrophobicContact CB-CG 4.34Å; R71-K73 PolarHBondContact O-N 2.91Å; R71-D74 WeakPolarHBondContact CA-OD2 3.16Å; R71-D74 VanDerWaalsContact CB-OD2 3.27Å; R71-D74 WeakPolarHBondContact CB-OD2 3.43Å; R71-D74 IonicContact CZ-OD1 3.36Å; R71-D74 VanDerWaalsContact CZ-OD1 3.27Å; R71-D74 IonicContact CZ-OD2 2.83Å; R71-D74 PolarHBondContact N-OD2 2.86Å; R71-D74 IonicContact NE-OD1 2.99Å; R71-D74 PolarHBondContact NE-OD1 2.78Å; R71-D74 IonicContact NE-OD2 3Å; R71-D74 PolarHBondContact NE-OD2 2.83Å; R71-D74 IonicContact NH2-OD1 3.13Å; R71-D74 PolarHBondContact NH2-OD1 3.37Å; R71-D74 IonicContact NH2-OD2 2.7Å; R71-D74 VanDerWaalsContact O-CB 3.25Å; R71-D74 WeakPolarHBondContact O-CB 3.46Å; R71-D74 PolarHBondContact O-N 2.82Å; R71-T95 WeakPolarHBondContact CA-OG1 3.31Å
72	R	93.3	Very high	94.7	Very high	132 Å²	132	49 Å²	49	50%	0.498	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-23.2	179.5	-170.8	173.1	-177.4	-166.5	1.4	116	T95	R72-T95 PolarHBondContact N-OG1 3.1Å
73	K	92.4	Very high	94.7	Very high	143 Å²	143	52.9 Å²	52.9	62%	0.622	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-16.6	175.4	69.2	179.4	-178.2	-179.8	0	114.5	R71	R71-K73 HydrophobicContact CB-CG 4.34Å; R71-K73 PolarHBondContact O-N 2.91Å
74	D	94.3	Very high	94.8	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.011	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-54	-168.4	-63.8	-23	0	0	0	110.3	V49 R55 R71	V49-D74 HydrophobicContact CB-CB 3.8Å; V49-D74 HydrophobicContact CG1-CB 3.95Å; V49-D74 HydrophobicContact CG2-CB 4.09Å; R55-D74 PolarHBondContact NH1-O 2.8Å; R55-D74 PolarHBondContact NH2-O 3.3Å; R71-D74 WeakPolarHBondContact CA-OD2 3.16Å; R71-D74 VanDerWaalsContact CB-OD2 3.27Å; R71-D74 WeakPolarHBondContact CB-OD2 3.43Å; R71-D74 IonicContact CZ-OD1 3.36Å; R71-D74 VanDerWaalsContact CZ-OD1 3.27Å; R71-D74 IonicContact CZ-OD2 2.83Å; R71-D74 PolarHBondContact N-OD2 2.86Å; R71-D74 IonicContact NE-OD1 2.99Å; R71-D74 PolarHBondContact NE-OD1 2.78Å; R71-D74 IonicContact NE-OD2 3Å; R71-D74 PolarHBondContact NE-OD2 2.83Å; R71-D74 IonicContact NH2-OD1 3.13Å; R71-D74 PolarHBondContact NH2-OD1 3.37Å; R71-D74 IonicContact NH2-OD2 2.7Å; R71-D74 VanDerWaalsContact O-CB 3.25Å; R71-D74 WeakPolarHBondContact O-CB 3.46Å; R71-D74 PolarHBondContact O-N 2.82Å
75	F	94	Very high	94.8	Very high	1 Å²	1	51 Å²	51	0%	0.004	25%	0.247	C	C	.	.	S	Bend	trans	-97.5	11.6	177.8	-51.8	-54.7	0	0	0	114.4	V49 L60 L62 I70 N77 M78 L84 L86 F99 L102	V49-F75 HydrophobicContact CG1-CE1 3.84Å; V49-F75 HydrophobicContact CG1-CZ 4.29Å; V49-F75 HydrophobicContact CG2-CE1 4.22Å; V49-F75 HydrophobicContact CG2-CZ 3.8Å; L60-F75 HydrophobicContact CD2-CD1 4.1Å; L60-F75 HydrophobicContact CD2-CE1 3.77Å; L62-F75 HydrophobicContact CD1-CE1 4.39Å; L62-F75 HydrophobicContact CD1-CZ 4.48Å; I70-F75 HydrophobicContact CD1-CE2 4.35Å; I70-F75 HydrophobicContact CG2-CD2 3.86Å; I70-F75 HydrophobicContact CG2-CE2 3.52Å; F75-N77 PolarHBondContact O-N 2.87Å; F75-M78 HydrophobicContact CB-SD 4.46Å; F75-M78 HydrophobicContact CD1-SD 4.21Å; F75-M78 WeakPolarHBondContact O-CG 3.46Å; F75-M78 PolarHBondContact O-N 3.05Å; F75-L84 HydrophobicContact CD1-CD2 4.37Å; F75-L84 HydrophobicContact CD2-CD2 4.2Å; F75-L84 HydrophobicContact CE1-CD1 3.99Å; F75-L84 HydrophobicContact CE1-CD2 4.27Å; F75-L84 HydrophobicContact CE2-CD2 4.07Å; F75-L84 HydrophobicContact CG-CD2 4.36Å; F75-L84 HydrophobicContact CZ-CD1 4.16Å; F75-L84 HydrophobicContact CZ-CD2 4.12Å; F75-L86 HydrophobicContact CE2-CD1 4.14Å; F75-L86 HydrophobicContact CZ-CD1 4.11Å; F75-L86 HydrophobicContact CZ-CD2 4Å; F75-F99 AromaticContact CD2-CD1 3.9Å; F75-F99 HydrophobicContact CD2-CD1 3.9Å; F75-F99 AromaticContact CD2-CE1 3.75Å; F75-F99 HydrophobicContact CD2-CE1 3.75Å; F75-F99 HydrophobicContact CE2-CD1 4.45Å; F75-F99 AromaticContact CE2-CE1 3.84Å; F75-F99 HydrophobicContact CE2-CE1 3.84Å; F75-L102 HydrophobicContact CB-CD1 4.16Å; F75-L102 HydrophobicContact CB-CD2 4.27Å
76	F	90.8	Very high	94.9	Very high	122 Å²	122	50.9 Å²	50.9	54%	0.535	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	131.6	-177.7	-176.2	-105.6	0	0	0	112.4	R55 M78	R55-F76 WeakPolarHBondContact CD-O 3.15Å; R55-F76 PolarHBondContact NH1-O 3.07Å; F76-M78 VanDerWaalsContact C-N 3.27Å; F76-M78 PolarHBondContact O-N 3.47Å
77	N	89.3	Confident	94.9	Very high	92 Å²	92	45.4 Å²	45.4	49%	0.492	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	29.4	175.8	-159.6	33.3	0	0	0	115.9	F75 T79	F75-N77 PolarHBondContact O-N 2.87Å; N77-T79 VanDerWaalsContact C-N 3.27Å; N77-T79 PolarHBondContact O-N 3.3Å; N77-T79 VanDerWaalsContact O-N 3.15Å
78	M	92.5	Very high	94.9	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.244	C	C	.	.			trans	-86.1	62.3	172.8	-61	-173	64.8	0	0	111.5	I53 R55 L60 F75 F76 S80 L81 L102	I53-M78 HydrophobicContact CG2-CE 3.54Å; I53-M78 HydrophobicContact CG2-SD 4.01Å; R55-M78 HydrophobicContact CB-CG 4.45Å; L60-M78 HydrophobicContact CD2-CE 4.18Å; F75-M78 HydrophobicContact CB-SD 4.46Å; F75-M78 HydrophobicContact CD1-SD 4.21Å; F75-M78 WeakPolarHBondContact O-CG 3.46Å; F75-M78 PolarHBondContact O-N 3.05Å; F76-M78 VanDerWaalsContact C-N 3.27Å; F76-M78 PolarHBondContact O-N 3.47Å; M78-S80 PolarHBondContact O-N 2.83Å; M78-L81 HydrophobicContact CB-CB 4.14Å; M78-L81 HydrophobicContact CB-CD2 4.47Å; M78-L81 HydrophobicContact CE-CD1 4.25Å; M78-L81 HydrophobicContact CE-CD2 4.23Å; M78-L81 WeakPolarHBondContact O-CB 3.39Å; M78-L81 PolarHBondContact O-N 2.99Å; M78-L81 VanDerWaalsContact O-N 3.16Å; M78-L102 HydrophobicContact CB-CD2 3.69Å; M78-L102 WeakPolarHBondContact O-CD2 3.47Å
79	T	91.6	Very high	95	Very high	63 Å²	63	48.3 Å²	48.3	39%	0.387	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.8	-171.5	53.8	0	0	0	0	114.5	N77 S104	N77-T79 VanDerWaalsContact C-N 3.27Å; N77-T79 PolarHBondContact O-N 3.3Å; N77-T79 VanDerWaalsContact O-N 3.15Å; T79-S104 VanDerWaalsContact O-CB 3.28Å; T79-S104 WeakPolarHBondContact O-CB 3.41Å; T79-S104 PolarHBondContact O-OG 3.23Å
80	S	92.5	Very high	95	Very high	51 Å²	51	47 Å²	47	36%	0.357	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.9	177	-55.5	0	0	0	0	114.4	M78 V82	M78-S80 PolarHBondContact O-N 2.83Å; S80-V82 PolarHBondContact O-N 2.91Å
81	L	95.1	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.			trans	-73.3	124.6	-175.8	-170	68	0	0	0	110.8	T57 L60 M78 L84 L102 S104 L105	T57-L81 HydrophobicContact CG2-CD1 4.28Å; T57-L81 WeakPolarHBondContact O-CA 3.48Å; T57-L81 WeakPolarHBondContact O-CD1 3.28Å; T57-L81 PolarHBondContact O-N 2.03Å; L60-L81 HydrophobicContact CB-CD1 3.71Å; M78-L81 HydrophobicContact CB-CB 4.14Å; M78-L81 HydrophobicContact CB-CD2 4.47Å; M78-L81 HydrophobicContact CE-CD1 4.25Å; M78-L81 HydrophobicContact CE-CD2 4.23Å; M78-L81 WeakPolarHBondContact O-CB 3.39Å; M78-L81 PolarHBondContact O-N 2.99Å; M78-L81 VanDerWaalsContact O-N 3.16Å; L81-L84 HydrophobicContact CD2-CB 4.15Å; L81-L84 HydrophobicContact CD2-CD1 4.41Å; L81-L84 HydrophobicContact CD2-CD2 4.24Å; L81-L102 HydrophobicContact CB-CD2 4.4Å; L81-L102 HydrophobicContact CD2-CD1 4.37Å; L81-L102 HydrophobicContact CD2-CD2 4.08Å; L81-S104 CarbonylContact O-C 3.25Å; L81-S104 VanDerWaalsContact O-C 3.25Å; L81-L105 HydrophobicContact CB-CD1 4.49Å; L81-L105 HydrophobicContact CD2-CD1 4.09Å; L81-L105 HydrophobicContact CG-CD1 3.88Å; L81-L105 WeakPolarHBondContact O-CA 3.2Å; L81-L105 PolarHBondContact O-N 3.2Å; L81-L105 VanDerWaalsContact O-N 3.15Å
82	V	96.3	Very high	95.1	Very high	34 Å²	34	45.9 Å²	45.9	21%	0.206	23%	0.225	C	C	.	.			trans	-110	-40.1	-178	-178.2	0	0	0	0	111.4	V58 S80 L105 R106 A107	V58-V82 HydrophobicContact CG1-CB 4.2Å; V58-V82 HydrophobicContact CG1-CG2 3.92Å; V58-V82 PolarHBondContact O-N 3.48Å; S80-V82 PolarHBondContact O-N 2.91Å; V82-L105 WeakPolarHBondContact O-CD1 3.47Å; V82-R106 HydrophobicContact CG1-CB 4.07Å; V82-R106 HydrophobicContact CG1-CG 3.96Å; V82-R106 PolarHBondContact O-N 3.31Å; V82-A107 PolarHBondContact O-N 3.33Å
83	H	96.9	Very high	95.2	Very high	81 Å²	81	45.2 Å²	45.2	38%	0.375	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.9	176.8	-60	158.3	0	0	0	111.3	V58 E59 L60	V58-H83 PolarHBondContact O-N 3.33Å; E59-H83 WeakPolarHBondContact CA-O 3.34Å; E59-H83 HydrophobicContact CB-CB 4.48Å; E59-H83 HydrophobicContact CG-CB 4.2Å; L60-H83 PolarHBondContact N-O 3.46Å
84	L	97.4	Very high	95.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.6	176.1	178.9	53.2	0	0	0	110.3	L60 F75 L81 L86 F99 L102 L105 A107 L108 H109	L60-L84 HydrophobicContact CB-CD1 4.03Å; L60-L84 HydrophobicContact CD2-CD1 3.86Å; L60-L84 HydrophobicContact CG-CD1 3.95Å; F75-L84 HydrophobicContact CD1-CD2 4.37Å; F75-L84 HydrophobicContact CD2-CD2 4.2Å; F75-L84 HydrophobicContact CE1-CD1 3.99Å; F75-L84 HydrophobicContact CE1-CD2 4.27Å; F75-L84 HydrophobicContact CE2-CD2 4.07Å; F75-L84 HydrophobicContact CG-CD2 4.36Å; F75-L84 HydrophobicContact CZ-CD1 4.16Å; F75-L84 HydrophobicContact CZ-CD2 4.12Å; L81-L84 HydrophobicContact CD2-CB 4.15Å; L81-L84 HydrophobicContact CD2-CD1 4.41Å; L81-L84 HydrophobicContact CD2-CD2 4.24Å; L84-L86 HydrophobicContact CD1-CD2 3.86Å; L84-L86 HydrophobicContact CD1-CG 4.19Å; L84-L86 HydrophobicContact CD2-CD1 4.49Å; L84-L86 HydrophobicContact CG-CD1 4.45Å; L84-L86 HydrophobicContact CG-CD2 4.38Å; L84-L86 HydrophobicContact CG-CG 4.16Å; L84-F99 HydrophobicContact CD2-CD1 4.41Å; L84-F99 HydrophobicContact CD2-CE1 4.1Å; L84-L102 HydrophobicContact CD2-CD1 4.17Å; L84-L105 HydrophobicContact CB-CD1 3.74Å; L84-L105 HydrophobicContact CB-CD2 4.37Å; L84-A107 PolarHBondContact N-O 3.39Å; L84-L108 HydrophobicContact CB-CD1 4.16Å; L84-L108 HydrophobicContact CD2-CD1 3.95Å; L84-L108 HydrophobicContact CG-CD1 3.97Å; L84-H109 PolarHBondContact O-N 2.67Å
85	T	97.8	Very high	95.5	Very high	20 Å²	20	40.8 Å²	40.8	12%	0.123	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	107.5	-175.8	-36.6	0	0	0	0	110.8	L60 L62 T63 S87 H109	L60-T85 PolarHBondContact O-N 2.94Å; L62-T85 PolarHBondContact N-O 3.17Å; T63-T85 HydrophobicContact CG2-CG2 3.41Å; T63-T85 VanDerWaalsContact CG2-CG2 3.41Å; T85-S87 VanDerWaalsContact CG2-OG 3.28Å; T85-S87 WeakPolarHBondContact CG2-OG 3.3Å; T85-H109 HydrophobicContact CG2-CB 3.9Å
86	L	97.6	Very high	95.6	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.233	C	C	.	.			trans	-111.9	10.8	179.1	-53.5	-178.5	0	0	0	112.6	L62 I70 F75 L84 N89 I91 H109 M110 N113	L62-L86 HydrophobicContact CB-CD2 3.97Å; L62-L86 HydrophobicContact CD1-CD2 3.77Å; L62-L86 HydrophobicContact CG-CD2 4.13Å; I70-L86 HydrophobicContact CD1-CD1 3.49Å; I70-L86 VanDerWaalsContact CD1-CD1 3.49Å; I70-L86 HydrophobicContact CG1-CD1 4.38Å; F75-L86 HydrophobicContact CE2-CD1 4.14Å; F75-L86 HydrophobicContact CZ-CD1 4.11Å; F75-L86 HydrophobicContact CZ-CD2 4Å; L84-L86 HydrophobicContact CD1-CD2 3.86Å; L84-L86 HydrophobicContact CD1-CG 4.19Å; L84-L86 HydrophobicContact CD2-CD1 4.49Å; L84-L86 HydrophobicContact CG-CD1 4.45Å; L84-L86 HydrophobicContact CG-CD2 4.38Å; L84-L86 HydrophobicContact CG-CG 4.16Å; L86-N89 PolarHBondContact O-ND2 3.32Å; L86-I91 HydrophobicContact CB-CD1 3.98Å; L86-I91 HydrophobicContact CD1-CD1 4.22Å; L86-H109 WeakPolarHBondContact CA-O 3.26Å; L86-H109 WeakPolarHBondContact CB-O 3.18Å; L86-H109 PolarHBondContact N-O 2.87Å; L86-M110 HydrophobicContact CB-CG 4.34Å; L86-M110 HydrophobicContact CD1-CE 4.19Å; L86-M110 HydrophobicContact CD1-CG 4.35Å; L86-M110 HydrophobicContact CD1-SD 4.46Å; L86-N113 PolarHBondContact O-ND2 2.04Å
87	S	98	Very high	95.7	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.035	22%	0.219	C	C	.	.			trans	-44.1	141.2	177.5	-50.7	0	0	0	0	114.2	T63 D64 T85 N89 D111	T63-S87 VanDerWaalsContact CA-O 3.23Å; T63-S87 WeakPolarHBondContact CA-O 3.44Å; D64-S87 PolarHBondContact N-O 2.91Å; D64-S87 VanDerWaalsContact N-O 3.12Å; T85-S87 VanDerWaalsContact CG2-OG 3.28Å; T85-S87 WeakPolarHBondContact CG2-OG 3.3Å; S87-N89 PolarHBondContact O-ND2 3.4Å; S87-D111 CarbonylContact C-O 3.44Å; S87-D111 VanDerWaalsContact CA-O 3.31Å; S87-D111 WeakPolarHBondContact CA-O 3.37Å; S87-D111 WeakPolarHBondContact CB-OD1 3.18Å; S87-D111 WeakPolarHBondContact CB-OD2 3.36Å; S87-D111 PolarHBondContact OG-OD1 2.85Å; S87-D111 PolarHBondContact OG-OD2 3.28Å
88	R	97.6	Very high	96	Very high	120 Å²	120	35.9 Å²	35.9	45%	0.453	20%	0.196	S	C	.	.	S	Bend	trans	52.6	62	175.3	-61.6	178.3	-57.5	-71.1	-4.8	111.9	D64 N65 D111 G112	D64-R88 WeakPolarHBondContact CA-O 3.45Å; D64-R88 PolarHBondContact N-O 3.42Å; D64-R88 IonicContact OD1-CZ 3.83Å; D64-R88 IonicContact OD1-NE 2.67Å; D64-R88 PolarHBondContact OD1-NE 2.8Å; D64-R88 IonicContact OD1-NH2 2.67Å; D64-R88 PolarHBondContact OD1-NH2 3.13Å; D64-R88 IonicContact OD2-CZ 3.16Å; D64-R88 IonicContact OD2-NE 2.67Å; D64-R88 IonicContact OD2-NH2 2.81Å; D64-R88 PolarHBondContact OD2-NH2 3.44Å; N65-R88 PolarHBondContact N-O 3.02Å; R88-D111 PolarHBondContact N-O 2.9Å; R88-D111 IonicContact NH1-OD2 3.91Å; R88-G112 VanDerWaalsContact CA-O 3.3Å; R88-G112 WeakPolarHBondContact CA-O 3.4Å
89	N	97.9	Very high	96.1	Very high	9 Å²	9	36 Å²	36	5%	0.048	20%	0.196	C	C	.	.	S	Bend	trans	-124	-171.4	171.9	-88.7	-93.3	0	0	0	109.6	L62 N65 F66 I67 L86 S87 I91 G112 N113	L62-N89 PolarHBondContact O-ND2 3.18Å; N65-N89 WeakPolarHBondContact CA-OD1 3.26Å; N65-N89 WeakPolarHBondContact CB-OD1 3.19Å; N65-N89 WeakPolarHBondContact O-CA 3.44Å; N65-N89 PolarHBondContact O-OD1 3.1Å; F66-N89 PolarHBondContact N-OD1 2.86Å; I67-N89 WeakPolarHBondContact CB-OD1 3.49Å; I67-N89 WeakPolarHBondContact CG1-OD1 3.41Å; I67-N89 PolarHBondContact N-OD1 2.98Å; I67-N89 VanDerWaalsContact N-OD1 3.09Å; L86-N89 PolarHBondContact O-ND2 3.32Å; S87-N89 PolarHBondContact O-ND2 3.4Å; N89-I91 HydrophobicContact CB-CD1 4.05Å; N89-I91 HydrophobicContact CB-CG1 3.91Å; N89-G112 PolarHBondContact N-O 2.88Å; N89-N113 WeakPolarHBondContact CA-OD1 3.48Å; N89-N113 WeakPolarHBondContact CB-OD1 3.48Å; N89-N113 PolarHBondContact O-OD1 2.95Å
90	T	97.4	Very high	96.2	Very high	35 Å²	35	36.3 Å²	36.3	22%	0.215	20%	0.195	C	C	.	.			trans	-109.3	26	177.6	47.2	0	0	0	0	112.2	F66 I67 T68 S92	F66-T90 PolarHBondContact O-OG1 3.48Å; I67-T90 CarbonylContact O-C 3.54Å; I67-T90 WeakPolarHBondContact O-CA 3.37Å; I67-T90 PolarHBondContact O-N 2.99Å; I67-T90 PolarHBondContact O-OG1 2.66Å; T68-T90 WeakPolarHBondContact CG2-OG1 3.49Å; T90-S92 PolarHBondContact O-N 3.3Å
91	I	98.1	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.			trans	-69.2	115.8	-169.3	-57.4	166.9	0	0	0	109.3	I67 T68 I70 L86 N89 M110 N113 R114 L115	I67-I91 HydrophobicContact CB-CG1 4.29Å; I67-I91 HydrophobicContact CG2-CD1 4.49Å; I67-I91 HydrophobicContact CG2-CG1 4.16Å; I67-I91 VanDerWaalsContact O-CG1 3.3Å; I67-I91 WeakPolarHBondContact O-CG1 3.02Å; I67-I91 PolarHBondContact O-N 2.9Å; T68-I91 WeakPolarHBondContact O-CA 3.38Å; I70-I91 HydrophobicContact CD1-CD1 4.18Å; I70-I91 HydrophobicContact CD1-CG2 4.31Å; I70-I91 HydrophobicContact CG1-CD1 4.18Å; I70-I91 HydrophobicContact CG1-CG2 4.07Å; L86-I91 HydrophobicContact CB-CD1 3.98Å; L86-I91 HydrophobicContact CD1-CD1 4.22Å; N89-I91 HydrophobicContact CB-CD1 4.05Å; N89-I91 HydrophobicContact CB-CG1 3.91Å; I91-M110 HydrophobicContact CD1-CE 4.33Å; I91-M110 HydrophobicContact CG2-CE 4.41Å; I91-N113 HydrophobicContact CB-CB 4.41Å; I91-N113 VanDerWaalsContact CB-OD1 3.23Å; I91-N113 WeakPolarHBondContact CB-OD1 3.48Å; I91-N113 VanDerWaalsContact CG1-OD1 3.28Å; I91-N113 WeakPolarHBondContact CG1-OD1 3.33Å; I91-N113 PolarHBondContact N-OD1 3.38Å; I91-R114 CarbonylContact O-C 3.18Å; I91-R114 VanDerWaalsContact O-CA 3.3Å; I91-R114 WeakPolarHBondContact O-CA 3.29Å; I91-R114 PolarHBondContact O-N 3.36Å; I91-L115 HydrophobicContact CG2-CD2 4.01Å; I91-L115 PolarHBondContact O-N 3.21Å
92	S	96.5	Very high	95.7	Very high	52 Å²	52	34.8 Å²	34.8	36%	0.364	19%	0.187	S	C	.	.			trans	-111.4	-15.9	176.6	60.3	0	0	0	0	113.3	T68 T90 R114	T68-S92 PolarHBondContact O-N 2.03Å; T90-S92 PolarHBondContact O-N 3.3Å; S92-R114 WeakPolarHBondContact CA-O 3.12Å
93	Q	96.1	Very high	95.5	Very high	118 Å²	118	41.1 Å²	41.1	55%	0.551	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.6	-178.9	-60.9	-175.9	3.6	0	0	112.5	T68 I69 I70	T68-Q93 PolarHBondContact O-N 2.84Å; I69-Q93 WeakPolarHBondContact CA-O 2.99Å; I69-Q93 HydrophobicContact CG1-CB 4.35Å; I69-Q93 HydrophobicContact CG2-CB 4.32Å; I70-Q93 PolarHBondContact N-O 2.85Å
94	I	97	Very high	95.4	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.056	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.1	170.9	-51.7	178.6	0	0	0	106.1	I70 A98 F99 M110 L115 H122	I70-I94 HydrophobicContact CB-CG2 4.41Å; I70-I94 HydrophobicContact CD1-CG1 4.31Å; I94-A98 HydrophobicContact CG2-CB 3.7Å; I94-F99 HydrophobicContact CD1-CE2 4.37Å; I94-F99 HydrophobicContact CG2-CE2 4.18Å; I94-M110 HydrophobicContact CD1-CE 3.8Å; I94-M110 HydrophobicContact CD1-SD 4.28Å; I94-M110 HydrophobicContact CG1-CE 4.35Å; I94-L115 HydrophobicContact CD1-CD1 4.41Å; I94-L115 HydrophobicContact CD1-CD2 4Å; I94-L115 HydrophobicContact CG1-CD2 3.94Å; I94-H122 HydrophobicContact CG2-CB 4.49Å
95	T	95.6	Very high	95.4	Very high	42 Å²	42	39.7 Å²	39.7	26%	0.258	21%	0.206	S	C	.	.			trans	-71.6	148.4	175.6	58.4	0	0	0	0	111.2	I70 R71 R72 N97 A98	I70-T95 WeakPolarHBondContact O-CG2 3.46Å; I70-T95 PolarHBondContact O-N 3.06Å; I70-T95 PolarHBondContact O-OG1 2.79Å; R71-T95 WeakPolarHBondContact CA-OG1 3.31Å; R72-T95 PolarHBondContact N-OG1 3.1Å; T95-N97 PolarHBondContact O-N 2.97Å; T95-A98 VanDerWaalsContact O-CB 3.23Å; T95-A98 WeakPolarHBondContact O-CB 3.17Å; T95-A98 PolarHBondContact O-N 3.01Å; T95-A98 VanDerWaalsContact O-N 3.11Å
96	P	95	Very high	95.3	Very high	68 Å²	68	45 Å²	45	44%	0.442	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	129.1	173.1	-32.9	36.5	0	0	0	113.8	A98 D121	P96-A98 VanDerWaalsContact C-N 3.3Å; P96-A98 PolarHBondContact O-N 3.25Å; P96-D121 WeakPolarHBondContact CA-OD2 3.39Å; P96-D121 WeakPolarHBondContact CB-OD2 3.48Å; P96-D121 WeakPolarHBondContact CG-OD2 3.07Å
97	N	94.4	Very high	95.4	Very high	43 Å²	43	45.2 Å²	45.2	23%	0.23	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	35.2	178.5	-51.4	-83.9	0	0	0	113.8	T95 F99 L100 D121	T95-N97 PolarHBondContact O-N 2.97Å; N97-F99 VanDerWaalsContact C-N 3.33Å; N97-F99 PolarHBondContact O-N 2.97Å; N97-L100 HydrophobicContact CB-CB 4.1Å; N97-L100 HydrophobicContact CB-CD2 4.36Å; N97-L100 WeakPolarHBondContact O-CB 3.17Å; N97-L100 PolarHBondContact O-N 2.93Å; N97-D121 WeakPolarHBondContact CA-O 3.19Å; N97-D121 PolarHBondContact N-O 3.01Å
98	A	95.2	Very high	95.4	Very high	1 Å²	1	45 Å²	45	1%	0.008	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.7	-178	0	0	0	0	0	114.3	I70 I94 T95 P96	I70-A98 HydrophobicContact CG2-CB 3.89Å; I94-A98 HydrophobicContact CG2-CB 3.7Å; T95-A98 VanDerWaalsContact O-CB 3.23Å; T95-A98 WeakPolarHBondContact O-CB 3.17Å; T95-A98 PolarHBondContact O-N 3.01Å; T95-A98 VanDerWaalsContact O-N 3.11Å; P96-A98 VanDerWaalsContact C-N 3.3Å; P96-A98 PolarHBondContact O-N 3.25Å
99	F	95.2	Very high	95.4	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	9.9	-179.7	-56.1	-57	0	0	0	113.4	I70 F75 L84 I94 N97 G101 L102 L108 M110 H122 F123 L126	I70-F99 HydrophobicContact CD1-CE1 4.18Å; I70-F99 HydrophobicContact CD1-CZ 3.75Å; I70-F99 HydrophobicContact CG2-CE1 4.45Å; F75-F99 AromaticContact CD2-CD1 3.9Å; F75-F99 HydrophobicContact CD2-CD1 3.9Å; F75-F99 AromaticContact CD2-CE1 3.75Å; F75-F99 HydrophobicContact CD2-CE1 3.75Å; F75-F99 HydrophobicContact CE2-CD1 4.45Å; F75-F99 AromaticContact CE2-CE1 3.84Å; F75-F99 HydrophobicContact CE2-CE1 3.84Å; L84-F99 HydrophobicContact CD2-CD1 4.41Å; L84-F99 HydrophobicContact CD2-CE1 4.1Å; I94-F99 HydrophobicContact CD1-CE2 4.37Å; I94-F99 HydrophobicContact CG2-CE2 4.18Å; N97-F99 VanDerWaalsContact C-N 3.33Å; N97-F99 PolarHBondContact O-N 2.97Å; F99-G101 PolarHBondContact O-N 2.86Å; F99-G101 VanDerWaalsContact O-N 3.12Å; F99-L102 HydrophobicContact CB-CD1 4Å; F99-L102 HydrophobicContact CB-CG 4.45Å; F99-L102 HydrophobicContact CD1-CD1 3.77Å; F99-L102 HydrophobicContact CG-CD1 4.32Å; F99-L102 WeakPolarHBondContact O-CB 3.29Å; F99-L102 WeakPolarHBondContact O-CG 3.26Å; F99-L102 PolarHBondContact O-N 2.76Å; F99-L102 VanDerWaalsContact O-N 3.09Å; F99-L108 HydrophobicContact CD2-CD2 4.39Å; F99-L108 HydrophobicContact CE1-CD1 4.48Å; F99-L108 HydrophobicContact CE2-CD2 4.04Å; F99-L108 HydrophobicContact CZ-CD1 4.43Å; F99-L108 HydrophobicContact CZ-CD2 4.17Å; F99-M110 HydrophobicContact CE2-SD 4.3Å; F99-M110 HydrophobicContact CZ-CE 4.47Å; F99-M110 HydrophobicContact CZ-SD 3.88Å; F99-H122 VanDerWaalsContact CD2-O 3.27Å; F99-H122 WeakPolarHBondContact CD2-O 3.48Å; F99-F123 HydrophobicContact CD2-CD1 4.05Å; F99-F123 HydrophobicContact CE2-CD1 4.01Å; F99-F123 HydrophobicContact CE2-CE1 4.17Å; F99-L126 HydrophobicContact CB-CD1 4.26Å; F99-L126 HydrophobicContact CB-CD2 3.88Å; F99-L126 HydrophobicContact CB-CG 4.05Å; F99-L126 HydrophobicContact CD2-CD1 4.19Å; F99-L126 HydrophobicContact CG-CD1 4.4Å
100	L	92	Very high	95.4	Very high	71 Å²	71	41.6 Å²	41.6	37%	0.372	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	115.1	-178	-175.6	72.6	0	0	0	111.5	N97	N97-L100 HydrophobicContact CB-CB 4.1Å; N97-L100 HydrophobicContact CB-CD2 4.36Å; N97-L100 WeakPolarHBondContact O-CB 3.17Å; N97-L100 PolarHBondContact O-N 2.93Å
101	G	84.1	Confident	95.4	Very high	18 Å²	18	41.4 Å²	41.4	19%	0.186	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.1	-6.4	-179.3	0	0	0	0	0	114.6	F99 R103	F99-G101 PolarHBondContact O-N 2.86Å; F99-G101 VanDerWaalsContact O-N 3.12Å; G101-R103 PolarHBondContact O-N 3.3Å
102	L	94	Very high	95.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.			trans	-75.5	48.6	173.8	-59	-171.2	0	0	0	112.5	F75 M78 L81 L84 F99 S104 L105 L126	F75-L102 HydrophobicContact CB-CD1 4.16Å; F75-L102 HydrophobicContact CB-CD2 4.27Å; M78-L102 HydrophobicContact CB-CD2 3.69Å; M78-L102 WeakPolarHBondContact O-CD2 3.47Å; L81-L102 HydrophobicContact CB-CD2 4.4Å; L81-L102 HydrophobicContact CD2-CD1 4.37Å; L81-L102 HydrophobicContact CD2-CD2 4.08Å; L84-L102 HydrophobicContact CD2-CD1 4.17Å; F99-L102 HydrophobicContact CB-CD1 4Å; F99-L102 HydrophobicContact CB-CG 4.45Å; F99-L102 HydrophobicContact CD1-CD1 3.77Å; F99-L102 HydrophobicContact CG-CD1 4.32Å; F99-L102 WeakPolarHBondContact O-CB 3.29Å; F99-L102 WeakPolarHBondContact O-CG 3.26Å; F99-L102 PolarHBondContact O-N 2.76Å; F99-L102 VanDerWaalsContact O-N 3.09Å; L102-S104 PolarHBondContact O-N 3.08Å; L102-S104 VanDerWaalsContact O-N 3.1Å; L102-L105 HydrophobicContact CB-CB 4.1Å; L102-L105 HydrophobicContact CD1-CD2 4.19Å; L102-L105 VanDerWaalsContact O-CB 3.29Å; L102-L105 WeakPolarHBondContact O-CB 3.37Å; L102-L105 PolarHBondContact O-N 2.93Å; L102-L126 HydrophobicContact CB-CD2 3.89Å
103	R	91.5	Very high	95.5	Very high	167 Å²	167	40.6 Å²	40.6	63%	0.63	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.3	-171.1	-67.7	180	178.8	-98.8	3.3	114.6	G101 N128	G101-R103 PolarHBondContact O-N 3.3Å; R103-N128 PolarHBondContact O-ND2 2.67Å
104	S	94.8	Very high	95.5	Very high	51 Å²	51	41.7 Å²	41.7	36%	0.357	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	0.2	179.7	-51.6	0	0	0	0	113.6	T79 L81 L102 R106	T79-S104 VanDerWaalsContact O-CB 3.28Å; T79-S104 WeakPolarHBondContact O-CB 3.41Å; T79-S104 PolarHBondContact O-OG 3.23Å; L81-S104 CarbonylContact O-C 3.25Å; L81-S104 VanDerWaalsContact O-C 3.25Å; L102-S104 PolarHBondContact O-N 3.08Å; L102-S104 VanDerWaalsContact O-N 3.1Å; S104-R106 PolarHBondContact O-N 3.46Å
105	L	96.9	Very high	95.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.			trans	-68.6	127.8	-175.9	-162.6	78.1	0	0	0	110.3	L81 V82 L84 L102 L108 L126 N128 L129	L81-L105 HydrophobicContact CB-CD1 4.49Å; L81-L105 HydrophobicContact CD2-CD1 4.09Å; L81-L105 HydrophobicContact CG-CD1 3.88Å; L81-L105 WeakPolarHBondContact O-CA 3.2Å; L81-L105 PolarHBondContact O-N 3.2Å; L81-L105 VanDerWaalsContact O-N 3.15Å; V82-L105 WeakPolarHBondContact O-CD1 3.47Å; L84-L105 HydrophobicContact CB-CD1 3.74Å; L84-L105 HydrophobicContact CB-CD2 4.37Å; L102-L105 HydrophobicContact CB-CB 4.1Å; L102-L105 HydrophobicContact CD1-CD2 4.19Å; L102-L105 VanDerWaalsContact O-CB 3.29Å; L102-L105 WeakPolarHBondContact O-CB 3.37Å; L102-L105 PolarHBondContact O-N 2.93Å; L105-L108 HydrophobicContact CD2-CB 4.02Å; L105-L108 HydrophobicContact CD2-CD1 4.48Å; L105-L126 HydrophobicContact CB-CD2 4.16Å; L105-L126 HydrophobicContact CD2-CD2 3.63Å; L105-N128 CarbonylContact O-C 3.54Å; L105-L129 HydrophobicContact CD2-CD1 4.21Å; L105-L129 HydrophobicContact CG-CD1 4.41Å; L105-L129 WeakPolarHBondContact O-CA 3.01Å; L105-L129 PolarHBondContact O-N 2.93Å
106	R	97.4	Very high	95.6	Very high	131 Å²	131	41.9 Å²	41.9	49%	0.494	21%	0.212	S	C	.	.			trans	-111.8	-31.8	178.7	-66.2	-178.3	-175.9	-163.3	-0.5	112.7	V82 S104 R130 H131	V82-R106 HydrophobicContact CG1-CB 4.07Å; V82-R106 HydrophobicContact CG1-CG 3.96Å; V82-R106 PolarHBondContact O-N 3.31Å; S104-R106 PolarHBondContact O-N 3.46Å; R106-R130 WeakPolarHBondContact O-CA 3.4Å; R106-R130 PolarHBondContact O-N 2.88Å; R106-H131 PolarHBondContact O-N 2.95Å
107	A	98.1	Very high	95.7	Very high	6 Å²	6	40.7 Å²	40.7	5%	0.05	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.2	178.8	0	0	0	0	0	111	V82 L84 H131	V82-A107 PolarHBondContact O-N 3.33Å; L84-A107 PolarHBondContact N-O 3.39Å; A107-H131 WeakPolarHBondContact CA-O 3.06Å; A107-H131 HydrophobicContact CB-CB 4.13Å
108	L	98.1	Very high	95.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	109.3	173.1	178.1	55.9	0	0	0	108.9	L84 F99 L105 M110 F123 L126 L129 H131 L132 I133	L84-L108 HydrophobicContact CB-CD1 4.16Å; L84-L108 HydrophobicContact CD2-CD1 3.95Å; L84-L108 HydrophobicContact CG-CD1 3.97Å; F99-L108 HydrophobicContact CD2-CD2 4.39Å; F99-L108 HydrophobicContact CE1-CD1 4.48Å; F99-L108 HydrophobicContact CE2-CD2 4.04Å; F99-L108 HydrophobicContact CZ-CD1 4.43Å; F99-L108 HydrophobicContact CZ-CD2 4.17Å; L105-L108 HydrophobicContact CD2-CB 4.02Å; L105-L108 HydrophobicContact CD2-CD1 4.48Å; L108-M110 HydrophobicContact CD1-CG 3.88Å; L108-M110 HydrophobicContact CD1-SD 4.12Å; L108-M110 HydrophobicContact CD2-SD 4.17Å; L108-M110 HydrophobicContact CG-CG 4.03Å; L108-M110 HydrophobicContact CG-SD 4.2Å; L108-F123 HydrophobicContact CD2-CD1 4.31Å; L108-F123 HydrophobicContact CD2-CE1 4.18Å; L108-L126 HydrophobicContact CD2-CD1 3.8Å; L108-L129 HydrophobicContact CB-CD1 3.82Å; L108-H131 PolarHBondContact N-O 3.35Å; L108-L132 HydrophobicContact CB-CD1 4.25Å; L108-L132 HydrophobicContact CD2-CD1 4.1Å; L108-L132 HydrophobicContact CG-CD1 4.21Å; L108-I133 PolarHBondContact O-N 3.4Å
109	H	98.4	Very high	95.8	Very high	59 Å²	59	43.9 Å²	43.9	27%	0.273	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.9	175.3	-62.2	-119.7	0	0	0	109.9	L84 T85 L86 I133	L84-H109 PolarHBondContact O-N 2.67Å; T85-H109 HydrophobicContact CG2-CB 3.9Å; L86-H109 WeakPolarHBondContact CA-O 3.26Å; L86-H109 WeakPolarHBondContact CB-O 3.18Å; L86-H109 PolarHBondContact N-O 2.87Å; H109-I133 HydrophobicContact CB-CB 4.4Å
110	M	97.3	Very high	95.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.			trans	-134	23.2	178	-61.6	-167.5	66.2	0	0	111.2	I70 L86 I91 I94 F99 L108 N113 L115 I133 L134 N137	I70-M110 HydrophobicContact CD1-CE 3.46Å; I70-M110 VanDerWaalsContact CD1-CE 3.46Å; I70-M110 HydrophobicContact CD1-SD 4.46Å; L86-M110 HydrophobicContact CB-CG 4.34Å; L86-M110 HydrophobicContact CD1-CE 4.19Å; L86-M110 HydrophobicContact CD1-CG 4.35Å; L86-M110 HydrophobicContact CD1-SD 4.46Å; I91-M110 HydrophobicContact CD1-CE 4.33Å; I91-M110 HydrophobicContact CG2-CE 4.41Å; I94-M110 HydrophobicContact CD1-CE 3.8Å; I94-M110 HydrophobicContact CD1-SD 4.28Å; I94-M110 HydrophobicContact CG1-CE 4.35Å; F99-M110 HydrophobicContact CE2-SD 4.3Å; F99-M110 HydrophobicContact CZ-CE 4.47Å; F99-M110 HydrophobicContact CZ-SD 3.88Å; L108-M110 HydrophobicContact CD1-CG 3.88Å; L108-M110 HydrophobicContact CD1-SD 4.12Å; L108-M110 HydrophobicContact CD2-SD 4.17Å; L108-M110 HydrophobicContact CG-CG 4.03Å; L108-M110 HydrophobicContact CG-SD 4.2Å; M110-N113 WeakPolarHBondContact O-CB 3.47Å; M110-N113 PolarHBondContact O-ND2 3.02Å; M110-L115 HydrophobicContact CE-CD1 4.11Å; M110-I133 CarbonylContact C-O 3.08Å; M110-I133 PolarHBondContact N-O 2.84Å; M110-L134 HydrophobicContact CB-CD2 4Å; M110-N137 PolarHBondContact O-ND2 2.98Å
111	D	97.8	Very high	95.9	Very high	30 Å²	30	44.2 Å²	44.2	16%	0.16	22%	0.22	C	C	.	.			trans	-60.3	154.7	178.2	58.7	-77	0	0	0	113.2	S87 R88 N113 I133 G135	S87-D111 CarbonylContact C-O 3.44Å; S87-D111 VanDerWaalsContact CA-O 3.31Å; S87-D111 WeakPolarHBondContact CA-O 3.37Å; S87-D111 WeakPolarHBondContact CB-OD1 3.18Å; S87-D111 WeakPolarHBondContact CB-OD2 3.36Å; S87-D111 PolarHBondContact OG-OD1 2.85Å; S87-D111 PolarHBondContact OG-OD2 3.28Å; R88-D111 PolarHBondContact N-O 2.9Å; R88-D111 IonicContact NH1-OD2 3.91Å; D111-N113 PolarHBondContact O-N 2.86Å; D111-N113 PolarHBondContact O-ND2 2.84Å; D111-I133 HydrophobicContact CB-CG2 4.19Å; D111-I133 PolarHBondContact N-O 2.84Å; D111-G135 CarbonylContact C-O 3.57Å; D111-G135 WeakPolarHBondContact CA-O 3.43Å; D111-G135 WeakPolarHBondContact CB-O 3.49Å
112	G	97.8	Very high	96.4	Very high	27 Å²	27	44 Å²	44	28%	0.278	21%	0.214	S	C	.	.	S	Bend	trans	61.4	44.4	174.6	0	0	0	0	0	113.1	R88 N89 G135 N136	R88-G112 VanDerWaalsContact CA-O 3.3Å; R88-G112 WeakPolarHBondContact CA-O 3.4Å; N89-G112 PolarHBondContact N-O 2.88Å; G112-G135 PolarHBondContact N-O 2.96Å; G112-N136 CarbonylContact C-O 3.14Å; G112-N136 WeakPolarHBondContact CA-O 3.47Å; G112-N136 PolarHBondContact N-O 3Å; G112-N136 VanDerWaalsContact N-O 3.14Å
113	N	98.5	Very high	96.5	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.048	22%	0.215	C	C	.	.	S	Bend	trans	-121.6	-163	-177.7	-88.2	-78.9	0	0	0	111.1	L86 N89 I91 M110 D111 N136 N137	L86-N113 PolarHBondContact O-ND2 2.04Å; N89-N113 WeakPolarHBondContact CA-OD1 3.48Å; N89-N113 WeakPolarHBondContact CB-OD1 3.48Å; N89-N113 PolarHBondContact O-OD1 2.95Å; I91-N113 HydrophobicContact CB-CB 4.41Å; I91-N113 VanDerWaalsContact CB-OD1 3.23Å; I91-N113 WeakPolarHBondContact CB-OD1 3.48Å; I91-N113 VanDerWaalsContact CG1-OD1 3.28Å; I91-N113 WeakPolarHBondContact CG1-OD1 3.33Å; I91-N113 PolarHBondContact N-OD1 3.38Å; M110-N113 WeakPolarHBondContact O-CB 3.47Å; M110-N113 PolarHBondContact O-ND2 3.02Å; D111-N113 PolarHBondContact O-N 2.86Å; D111-N113 PolarHBondContact O-ND2 2.84Å; N113-N136 PolarHBondContact N-O 3.16Å; N113-N137 WeakPolarHBondContact CA-OD1 3.38Å; N113-N137 WeakPolarHBondContact CB-OD1 3.49Å
114	R	97.6	Very high	96.6	Very high	141 Å²	141	40 Å²	40	53%	0.532	20%	0.201	S	C	.	.			trans	-127.1	27.9	-174.8	-60.8	-175.8	178.4	-130.7	-1.7	112.2	I91 S92 N137	I91-R114 CarbonylContact O-C 3.18Å; I91-R114 VanDerWaalsContact O-CA 3.3Å; I91-R114 WeakPolarHBondContact O-CA 3.29Å; I91-R114 PolarHBondContact O-N 3.36Å; S92-R114 WeakPolarHBondContact CA-O 3.12Å; R114-N137 PolarHBondContact N-OD1 2.82Å
115	L	97.6	Very high	96.3	Very high	8 Å²	8	38 Å²	38	4%	0.042	19%	0.19	C	C	.	.			trans	-66.6	132.6	177.4	-60.3	176.4	0	0	0	109.8	I91 I94 M110 L134 N137 Q138 I139	I91-L115 HydrophobicContact CG2-CD2 4.01Å; I91-L115 PolarHBondContact O-N 3.21Å; I94-L115 HydrophobicContact CD1-CD1 4.41Å; I94-L115 HydrophobicContact CD1-CD2 4Å; I94-L115 HydrophobicContact CG1-CD2 3.94Å; M110-L115 HydrophobicContact CE-CD1 4.11Å; L115-L134 HydrophobicContact CD1-CD2 3.86Å; L115-N137 HydrophobicContact CB-CB 4.38Å; L115-N137 WeakPolarHBondContact CB-OD1 3.45Å; L115-N137 WeakPolarHBondContact CG-OD1 3.18Å; L115-N137 PolarHBondContact N-OD1 2.89Å; L115-Q138 CarbonylContact O-C 3.51Å; L115-Q138 VanDerWaalsContact O-CA 3.27Å; L115-Q138 WeakPolarHBondContact O-CA 3.28Å; L115-Q138 PolarHBondContact O-N 3.1Å; L115-I139 HydrophobicContact CB-CD1 4.3Å; L115-I139 HydrophobicContact CB-CG1 3.95Å; L115-I139 WeakPolarHBondContact O-CG1 3.44Å; L115-I139 PolarHBondContact O-N 3.28Å; L115-I139 VanDerWaalsContact O-N 3.12Å
116	S	96.4	Very high	96.2	Very high	49 Å²	49	38 Å²	38	34%	0.343	19%	0.19	S	C	.	.			trans	-110.5	-27.9	-179.1	59.4	0	0	0	0	114.2	I139 H140	S116-I139 WeakPolarHBondContact O-CA 3.45Å; S116-H140 PolarHBondContact O-CE1 3.39Å; S116-H140 PolarHBondContact O-N 3.21Å; S116-H140 PolarHBondContact O-ND1 3.23Å
117	V	96.8	Very high	96	Very high	43 Å²	43	34.3 Å²	34.3	26%	0.261	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	135.9	-178.6	-178.5	0	0	0	0	110	K119 H122 H141	V117-K119 HydrophobicContact CG1-CG 4.31Å; V117-H122 PolarHBondContact O-CE1 2.84Å; V117-H122 VanDerWaalsContact O-CE1 3.32Å; V117-H141 WeakPolarHBondContact CA-O 3.49Å; V117-H141 HydrophobicContact CG1-CB 4.43Å
118	I	96.8	Very high	95.9	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.2	165.2	-55.2	-179.8	0	0	0	108.8	F123 L134 I139 H141 V142 A143 F147	I118-F123 HydrophobicContact CD1-CE2 4.12Å; I118-F123 HydrophobicContact CG2-CD2 4.03Å; I118-F123 HydrophobicContact CG2-CE2 3.53Å; I118-F123 HydrophobicContact CG2-CZ 4.37Å; I118-L134 HydrophobicContact CD1-CD1 3.85Å; I118-I139 HydrophobicContact CD1-CD1 4.15Å; I118-I139 HydrophobicContact CD1-CG2 4.39Å; I118-I139 HydrophobicContact CG1-CD1 4.21Å; I118-I139 HydrophobicContact CG1-CG2 4.02Å; I118-H141 PolarHBondContact N-O 3.29Å; I118-V142 HydrophobicContact CB-CB 4.4Å; I118-V142 HydrophobicContact CB-CG1 4.13Å; I118-V142 HydrophobicContact CB-CG2 4.23Å; I118-V142 HydrophobicContact CD1-CG1 4.44Å; I118-V142 HydrophobicContact CD1-CG2 3.87Å; I118-V142 HydrophobicContact CG1-CG2 4.24Å; I118-V142 HydrophobicContact CG2-CG1 4.28Å; I118-A143 PolarHBondContact O-N 3.01Å; I118-F147 HydrophobicContact CD1-CE1 4.47Å
119	K	95.4	Very high	95.9	Very high	109 Å²	109	37.9 Å²	37.9	47%	0.474	20%	0.2	S	C	.	.			trans	-117.9	154.2	174.1	-58.7	-179.7	-176.2	178.6	0	110.3	V117 D121 H122	V117-K119 HydrophobicContact CG1-CG 4.31Å; K119-D121 WeakPolarHBondContact CB-OD1 3.08Å; K119-D121 PolarHBondContact O-N 2.9Å; K119-D121 VanDerWaalsContact O-N 3.08Å; K119-H122 PolarHBondContact N-ND1 2.86Å; K119-H122 WeakPolarHBondContact O-CB 3.32Å; K119-H122 PolarHBondContact O-N 2.74Å
120	S	94.4	Very high	95.8	Very high	39 Å²	39	39.4 Å²	39.4	27%	0.273	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-9.9	-177.6	56.4	0	0	0	0	115	K124 T145 S146	S120-K124 WeakPolarHBondContact O-CE 3.36Å; S120-K124 VanDerWaalsContact O-CG 3.27Å; S120-K124 WeakPolarHBondContact O-CG 3.4Å; S120-T145 WeakPolarHBondContact CB-O 3.24Å; S120-T145 VanDerWaalsContact CB-OG1 3.27Å; S120-T145 WeakPolarHBondContact CB-OG1 3.4Å; S120-S146 PolarHBondContact N-OG 2.97Å
121	D	94.6	Very high	95.9	Very high	39 Å²	39	42.5 Å²	42.5	21%	0.209	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-6.5	173.6	68.4	-23.4	0	0	0	114.2	P96 N97 K119	P96-D121 WeakPolarHBondContact CA-OD2 3.39Å; P96-D121 WeakPolarHBondContact CB-OD2 3.48Å; P96-D121 WeakPolarHBondContact CG-OD2 3.07Å; N97-D121 WeakPolarHBondContact CA-O 3.19Å; N97-D121 PolarHBondContact N-O 3.01Å; K119-D121 WeakPolarHBondContact CB-OD1 3.08Å; K119-D121 PolarHBondContact O-N 2.9Å; K119-D121 VanDerWaalsContact O-N 3.08Å
122	H	95.2	Very high	95.9	Very high	15 Å²	15	41 Å²	41	7%	0.069	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-46.9	179.8	-71.2	-174.8	0	0	0	111.7	I94 F99 V117 K119	I94-H122 HydrophobicContact CG2-CB 4.49Å; F99-H122 VanDerWaalsContact CD2-O 3.27Å; F99-H122 WeakPolarHBondContact CD2-O 3.48Å; V117-H122 PolarHBondContact O-CE1 2.84Å; V117-H122 VanDerWaalsContact O-CE1 3.32Å; K119-H122 PolarHBondContact N-ND1 2.86Å; K119-H122 WeakPolarHBondContact O-CB 3.32Å; K119-H122 PolarHBondContact O-N 2.74Å
123	F	94.9	Very high	95.9	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.018	20%	0.202	C	C	.	.	S	Bend	trans	-101.1	9.3	-169.6	-60.6	-47.8	0	0	0	115.7	F99 L108 I118 G125 L126 L132 L134 F150	F99-F123 HydrophobicContact CD2-CD1 4.05Å; F99-F123 HydrophobicContact CE2-CD1 4.01Å; F99-F123 HydrophobicContact CE2-CE1 4.17Å; L108-F123 HydrophobicContact CD2-CD1 4.31Å; L108-F123 HydrophobicContact CD2-CE1 4.18Å; I118-F123 HydrophobicContact CD1-CE2 4.12Å; I118-F123 HydrophobicContact CG2-CD2 4.03Å; I118-F123 HydrophobicContact CG2-CE2 3.53Å; I118-F123 HydrophobicContact CG2-CZ 4.37Å; F123-G125 PolarHBondContact O-N 3.1Å; F123-L126 HydrophobicContact CB-CD1 4.07Å; F123-L126 HydrophobicContact CD1-CD1 4.04Å; F123-L126 HydrophobicContact CG-CD1 4.44Å; F123-L126 WeakPolarHBondContact O-CB 3.49Å; F123-L126 VanDerWaalsContact O-CG 3.31Å; F123-L126 WeakPolarHBondContact O-CG 3.2Å; F123-L126 PolarHBondContact O-N 2.91Å; F123-L132 HydrophobicContact CE1-CD1 4.43Å; F123-L132 HydrophobicContact CE2-CD2 4.23Å; F123-L132 HydrophobicContact CZ-CD1 4.36Å; F123-L132 HydrophobicContact CZ-CD2 4.41Å; F123-L134 HydrophobicContact CE2-CD1 4.41Å; F123-L134 HydrophobicContact CZ-CD1 4.04Å; F123-L134 HydrophobicContact CZ-CD2 4.3Å; F123-F150 HydrophobicContact CB-CE1 3.94Å; F123-F150 HydrophobicContact CD2-CE1 4.31Å; F123-F150 HydrophobicContact CD2-CZ 4.42Å; F123-F150 HydrophobicContact CG-CE1 4.31Å
124	K	92.9	Very high	95.9	Very high	77 Å²	77	40.5 Å²	40.5	34%	0.335	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	134.6	-177.3	-64.7	-161.7	176	-159	0	113.2	S120 E149	S120-K124 WeakPolarHBondContact O-CE 3.36Å; S120-K124 VanDerWaalsContact O-CG 3.27Å; S120-K124 WeakPolarHBondContact O-CG 3.4Å; K124-E149 HydrophobicContact CG-CG 4.41Å
125	G	89.8	Confident	95.9	Very high	11 Å²	11	33.8 Å²	33.8	11%	0.113	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	-2	-177	0	0	0	0	0	115.5	F123 V127 E149	F123-G125 PolarHBondContact O-N 3.1Å; G125-V127 PolarHBondContact O-N 2.77Å; G125-V127 VanDerWaalsContact O-N 3.12Å; G125-E149 WeakPolarHBondContact CA-OE2 3.42Å; G125-E149 PolarHBondContact N-OE2 3.42Å
126	L	94.7	Very high	95.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.			trans	-84.3	40.3	-176.7	-67.2	-174.7	0	0	0	114.2	F99 L102 L105 L108 F123 N128 L129 F150	F99-L126 HydrophobicContact CB-CD1 4.26Å; F99-L126 HydrophobicContact CB-CD2 3.88Å; F99-L126 HydrophobicContact CB-CG 4.05Å; F99-L126 HydrophobicContact CD2-CD1 4.19Å; F99-L126 HydrophobicContact CG-CD1 4.4Å; L102-L126 HydrophobicContact CB-CD2 3.89Å; L105-L126 HydrophobicContact CB-CD2 4.16Å; L105-L126 HydrophobicContact CD2-CD2 3.63Å; L108-L126 HydrophobicContact CD2-CD1 3.8Å; F123-L126 HydrophobicContact CB-CD1 4.07Å; F123-L126 HydrophobicContact CD1-CD1 4.04Å; F123-L126 HydrophobicContact CG-CD1 4.44Å; F123-L126 WeakPolarHBondContact O-CB 3.49Å; F123-L126 VanDerWaalsContact O-CG 3.31Å; F123-L126 WeakPolarHBondContact O-CG 3.2Å; F123-L126 PolarHBondContact O-N 2.91Å; L126-N128 PolarHBondContact O-N 3.19Å; L126-L129 HydrophobicContact CB-CB 4.28Å; L126-L129 HydrophobicContact CB-CD2 4.46Å; L126-L129 HydrophobicContact CD1-CD2 4.15Å; L126-L129 VanDerWaalsContact O-CB 3.28Å; L126-L129 WeakPolarHBondContact O-CB 3.49Å; L126-L129 PolarHBondContact O-N 2.97Å; L126-F150 HydrophobicContact CB-CD1 4.28Å
127	V	93.2	Very high	96	Very high	53 Å²	53	35.9 Å²	35.9	32%	0.321	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.9	-166.7	-61.5	0	0	0	0	117.2	G125 E149 T153	G125-V127 PolarHBondContact O-N 2.77Å; G125-V127 VanDerWaalsContact O-N 3.12Å; V127-E149 WeakPolarHBondContact CA-O 3.21Å; V127-T153 PolarHBondContact O-OG1 3.05Å; V127-T153 VanDerWaalsContact O-OG1 3.07Å
128	N	95.7	Very high	96	Very high	81 Å²	81	38.4 Å²	38.4	43%	0.433	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	15.6	-179.8	-76.6	-67.3	0	0	0	113.4	R103 L105 L126	R103-N128 PolarHBondContact O-ND2 2.67Å; L105-N128 CarbonylContact O-C 3.54Å; L126-N128 PolarHBondContact O-N 3.19Å
129	L	97.3	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.			trans	-66.8	133.4	-177.6	-165.1	71.7	0	0	0	111.2	L105 L108 L126 L132 F150 T153 I154	L105-L129 HydrophobicContact CD2-CD1 4.21Å; L105-L129 HydrophobicContact CG-CD1 4.41Å; L105-L129 WeakPolarHBondContact O-CA 3.01Å; L105-L129 PolarHBondContact O-N 2.93Å; L108-L129 HydrophobicContact CB-CD1 3.82Å; L126-L129 HydrophobicContact CB-CB 4.28Å; L126-L129 HydrophobicContact CB-CD2 4.46Å; L126-L129 HydrophobicContact CD1-CD2 4.15Å; L126-L129 VanDerWaalsContact O-CB 3.28Å; L126-L129 WeakPolarHBondContact O-CB 3.49Å; L126-L129 PolarHBondContact O-N 2.97Å; L129-L132 HydrophobicContact CD2-CB 3.95Å; L129-L132 HydrophobicContact CD2-CD1 4.29Å; L129-L132 HydrophobicContact CD2-CD2 4.3Å; L129-L132 HydrophobicContact CD2-CG 4.41Å; L129-F150 HydrophobicContact CB-CB 3.96Å; L129-F150 HydrophobicContact CB-CD1 4.41Å; L129-F150 HydrophobicContact CB-CG 4.22Å; L129-F150 HydrophobicContact CD2-CD1 3.94Å; L129-F150 HydrophobicContact CD2-CE1 4.02Å; L129-F150 HydrophobicContact CD2-CG 4.19Å; L129-F150 HydrophobicContact CD2-CZ 4.32Å; L129-T153 CarbonylContact O-C 3.6Å; L129-T153 VanDerWaalsContact O-O 3.13Å; L129-T153 PolarHBondContact O-OG1 2.86Å; L129-I154 HydrophobicContact CD2-CD1 4.45Å; L129-I154 HydrophobicContact CG-CD1 4.41Å; L129-I154 WeakPolarHBondContact O-CA 3.36Å; L129-I154 PolarHBondContact O-N 2.89Å
130	R	97.6	Very high	96.2	Very high	90 Å²	90	38 Å²	38	34%	0.34	19%	0.19	S	C	.	.			trans	-117.5	-39.7	-179.3	-73.9	169.8	174.7	-109.4	-12.9	112.1	R106 T153 I154 E155 D156	R106-R130 WeakPolarHBondContact O-CA 3.4Å; R106-R130 PolarHBondContact O-N 2.88Å; R130-T153 WeakPolarHBondContact CG-O 3.5Å; R130-I154 WeakPolarHBondContact O-CD1 3.49Å; R130-E155 HydrophobicContact CB-CB 4.26Å; R130-E155 HydrophobicContact CB-CG 4.44Å; R130-E155 WeakPolarHBondContact CD-OE2 3.27Å; R130-E155 HydrophobicContact CG-CG 4.3Å; R130-E155 IonicContact CZ-OE1 3.97Å; R130-E155 VanDerWaalsContact CZ-OE1 3.23Å; R130-E155 IonicContact CZ-OE2 2.8Å; R130-E155 IonicContact NE-OE1 3.6Å; R130-E155 IonicContact NE-OE2 3.36Å; R130-E155 IonicContact NH1-OE1 3.96Å; R130-E155 PolarHBondContact NH1-OE1 2.87Å; R130-E155 IonicContact NH1-OE2 3.52Å; R130-E155 PolarHBondContact NH1-OE2 2.87Å; R130-E155 IonicContact NH2-OE1 3.33Å; R130-E155 WeakPolarHBondContact O-CA 3.26Å; R130-E155 PolarHBondContact O-N 3.35Å; R130-D156 PolarHBondContact O-N 3.09Å
131	H	98.3	Very high	96.3	Very high	65 Å²	65	40.7 Å²	40.7	30%	0.301	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.2	178.8	-50.8	-92	0	0	0	109.7	R106 A107 L108 D156	R106-H131 PolarHBondContact O-N 2.95Å; A107-H131 WeakPolarHBondContact CA-O 3.06Å; A107-H131 HydrophobicContact CB-CB 4.13Å; L108-H131 PolarHBondContact N-O 3.35Å; H131-D156 WeakPolarHBondContact CA-O 3.39Å; H131-D156 HydrophobicContact CB-CB 4.39Å; H131-D156 IonicContact CE1-OD2 2.8Å; H131-D156 IonicContact CG-OD2 3.69Å; H131-D156 VanDerWaalsContact ND1-CB 3.3Å; H131-D156 WeakPolarHBondContact ND1-CB 3.48Å; H131-D156 IonicContact ND1-OD2 3.66Å; H131-D156 PolarHBondContact ND1-OD2 3.28Å
132	L	98	Very high	96.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	104.3	173	179	54.6	0	0	0	109.3	L108 F123 L129 L134 F150 I154 D156 L157 D158	L108-L132 HydrophobicContact CB-CD1 4.25Å; L108-L132 HydrophobicContact CD2-CD1 4.1Å; L108-L132 HydrophobicContact CG-CD1 4.21Å; F123-L132 HydrophobicContact CE1-CD1 4.43Å; F123-L132 HydrophobicContact CE2-CD2 4.23Å; F123-L132 HydrophobicContact CZ-CD1 4.36Å; F123-L132 HydrophobicContact CZ-CD2 4.41Å; L129-L132 HydrophobicContact CD2-CB 3.95Å; L129-L132 HydrophobicContact CD2-CD1 4.29Å; L129-L132 HydrophobicContact CD2-CD2 4.3Å; L129-L132 HydrophobicContact CD2-CG 4.41Å; L132-L134 HydrophobicContact CD1-CD1 3.93Å; L132-L134 HydrophobicContact CD1-CD2 4.49Å; L132-L134 HydrophobicContact CD1-CG 3.95Å; L132-L134 HydrophobicContact CD2-CD1 3.9Å; L132-L134 HydrophobicContact CG-CD1 3.74Å; L132-L134 HydrophobicContact CG-CG 4.11Å; L132-F150 HydrophobicContact CD2-CE1 4.34Å; L132-F150 HydrophobicContact CD2-CE2 3.97Å; L132-F150 HydrophobicContact CD2-CZ 3.49Å; L132-F150 VanDerWaalsContact CD2-CZ 3.49Å; L132-I154 HydrophobicContact CB-CD1 3.92Å; L132-D156 PolarHBondContact N-O 3Å; L132-L157 HydrophobicContact CB-CD1 4.02Å; L132-L157 HydrophobicContact CD2-CD1 4.03Å; L132-L157 HydrophobicContact CG-CD1 4.07Å; L132-D158 PolarHBondContact O-N 2.83Å
133	I	98.4	Very high	96.4	Very high	24 Å²	24	39.5 Å²	39.5	12%	0.123	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	105	-173.6	-47.4	-56	0	0	0	108.9	L108 H109 M110 D111 D158	L108-I133 PolarHBondContact O-N 3.4Å; H109-I133 HydrophobicContact CB-CB 4.4Å; M110-I133 CarbonylContact C-O 3.08Å; M110-I133 PolarHBondContact N-O 2.84Å; D111-I133 HydrophobicContact CB-CG2 4.19Å; D111-I133 PolarHBondContact N-O 2.84Å; I133-D158 HydrophobicContact CD1-CB 3.94Å; I133-D158 HydrophobicContact CG2-CB 4.19Å; I133-D158 WeakPolarHBondContact CG2-OD2 3.36Å
134	L	97.9	Very high	96.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.			trans	-119.3	7.8	-176.5	-71	162.4	0	0	0	112.6	M110 L115 I118 F123 L132 N137 I139 D158 L159 N162	M110-L134 HydrophobicContact CB-CD2 4Å; L115-L134 HydrophobicContact CD1-CD2 3.86Å; I118-L134 HydrophobicContact CD1-CD1 3.85Å; F123-L134 HydrophobicContact CE2-CD1 4.41Å; F123-L134 HydrophobicContact CZ-CD1 4.04Å; F123-L134 HydrophobicContact CZ-CD2 4.3Å; L132-L134 HydrophobicContact CD1-CD1 3.93Å; L132-L134 HydrophobicContact CD1-CD2 4.49Å; L132-L134 HydrophobicContact CD1-CG 3.95Å; L132-L134 HydrophobicContact CD2-CD1 3.9Å; L132-L134 HydrophobicContact CG-CD1 3.74Å; L132-L134 HydrophobicContact CG-CG 4.11Å; L134-N137 PolarHBondContact O-ND2 2.86Å; L134-I139 HydrophobicContact CB-CD1 4.34Å; L134-D158 WeakPolarHBondContact CA-O 3.2Å; L134-D158 WeakPolarHBondContact CB-O 3.49Å; L134-D158 PolarHBondContact N-O 2.91Å; L134-L159 HydrophobicContact CB-CD2 3.99Å; L134-L159 HydrophobicContact CD1-CD2 3.85Å; L134-N162 PolarHBondContact O-ND2 3.36Å; L134-N162 VanDerWaalsContact O-ND2 3.17Å
135	G	97.6	Very high	96.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.01	23%	0.228	C	C	.	.			trans	-55.7	153.8	-179.4	0	0	0	0	0	114.4	D111 G112 N137 D158 S160	D111-G135 CarbonylContact C-O 3.57Å; D111-G135 WeakPolarHBondContact CA-O 3.43Å; D111-G135 WeakPolarHBondContact CB-O 3.49Å; G112-G135 PolarHBondContact N-O 2.96Å; G135-N137 PolarHBondContact O-ND2 3.42Å; G135-D158 WeakPolarHBondContact CA-OD2 3.45Å; G135-D158 PolarHBondContact N-OD2 3.3Å; G135-S160 CarbonylContact C-O 3.47Å; G135-S160 WeakPolarHBondContact CA-O 3.27Å; G135-S160 VanDerWaalsContact CA-OG 3.28Å; G135-S160 WeakPolarHBondContact CA-OG 3.42Å
136	N	98.1	Very high	96.6	Very high	88 Å²	88	43 Å²	43	47%	0.471	22%	0.224	S	C	.	.	S	Bend	trans	55.6	56.9	-179.3	-70.7	-96.7	0	0	0	112.4	G112 N113 S160 N161	G112-N136 CarbonylContact C-O 3.14Å; G112-N136 WeakPolarHBondContact CA-O 3.47Å; G112-N136 PolarHBondContact N-O 3Å; G112-N136 VanDerWaalsContact N-O 3.14Å; N113-N136 PolarHBondContact N-O 3.16Å; N136-S160 PolarHBondContact N-O 2.99Å; N136-N161 WeakPolarHBondContact CA-O 3.1Å; N136-N161 HydrophobicContact CB-CB 4.33Å; N136-N161 PolarHBondContact ND2-OD1 2.85Å
137	N	98.4	Very high	96.6	Very high	12 Å²	12	43 Å²	43	6%	0.064	22%	0.224	C	C	.	.	S	Bend	trans	-122.4	-157.3	172.2	-90.2	-85.8	0	0	0	109.6	M110 N113 R114 L115 L134 G135 I139 N161 N162	M110-N137 PolarHBondContact O-ND2 2.98Å; N113-N137 WeakPolarHBondContact CA-OD1 3.38Å; N113-N137 WeakPolarHBondContact CB-OD1 3.49Å; R114-N137 PolarHBondContact N-OD1 2.82Å; L115-N137 HydrophobicContact CB-CB 4.38Å; L115-N137 WeakPolarHBondContact CB-OD1 3.45Å; L115-N137 WeakPolarHBondContact CG-OD1 3.18Å; L115-N137 PolarHBondContact N-OD1 2.89Å; L134-N137 PolarHBondContact O-ND2 2.86Å; G135-N137 PolarHBondContact O-ND2 3.42Å; N137-I139 HydrophobicContact CB-CD1 4Å; N137-I139 HydrophobicContact CB-CG1 3.97Å; N137-N161 PolarHBondContact N-O 2.83Å; N137-N162 WeakPolarHBondContact CA-OD1 3.45Å; N137-N162 WeakPolarHBondContact CB-OD1 3.44Å
138	Q	97.5	Very high	96.6	Very high	97 Å²	97	43.4 Å²	43.4	45%	0.453	22%	0.224	S	C	.	.			trans	-127.7	23.2	-179.9	-58.5	-176.2	-0.6	0	0	111.6	L115 H140 N162 N163	L115-Q138 CarbonylContact O-C 3.51Å; L115-Q138 VanDerWaalsContact O-CA 3.27Å; L115-Q138 WeakPolarHBondContact O-CA 3.28Å; L115-Q138 PolarHBondContact O-N 3.1Å; Q138-H140 PolarHBondContact O-N 3.35Å; Q138-N162 PolarHBondContact N-OD1 3.48Å; Q138-N163 WeakPolarHBondContact CA-ND2 3.42Å; Q138-N163 PolarHBondContact O-ND2 2.79Å; Q138-N163 VanDerWaalsContact O-ND2 3.12Å
139	I	98.1	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.			trans	-70.3	118.7	-167.3	-55.5	164.1	0	0	0	109.1	L115 S116 I118 L134 N137 V142 N162 N163 L164	L115-I139 HydrophobicContact CB-CD1 4.3Å; L115-I139 HydrophobicContact CB-CG1 3.95Å; L115-I139 WeakPolarHBondContact O-CG1 3.44Å; L115-I139 PolarHBondContact O-N 3.28Å; L115-I139 VanDerWaalsContact O-N 3.12Å; S116-I139 WeakPolarHBondContact O-CA 3.45Å; I118-I139 HydrophobicContact CD1-CD1 4.15Å; I118-I139 HydrophobicContact CD1-CG2 4.39Å; I118-I139 HydrophobicContact CG1-CD1 4.21Å; I118-I139 HydrophobicContact CG1-CG2 4.02Å; L134-I139 HydrophobicContact CB-CD1 4.34Å; N137-I139 HydrophobicContact CB-CD1 4Å; N137-I139 HydrophobicContact CB-CG1 3.97Å; I139-V142 HydrophobicContact CG2-CG2 4.22Å; I139-N162 VanDerWaalsContact CB-OD1 3.29Å; I139-N162 WeakPolarHBondContact CB-OD1 3.06Å; I139-N162 VanDerWaalsContact CG1-OD1 3.31Å; I139-N162 WeakPolarHBondContact CG1-OD1 3.33Å; I139-N162 PolarHBondContact N-OD1 3.04Å; I139-N163 CarbonylContact O-C 3.16Å; I139-N163 VanDerWaalsContact O-CA 3.29Å; I139-N163 WeakPolarHBondContact O-CA 3.3Å; I139-N163 WeakPolarHBondContact O-CB 3.21Å; I139-N163 PolarHBondContact O-N 3.28Å; I139-L164 HydrophobicContact CB-CD2 4.34Å; I139-L164 HydrophobicContact CG2-CD2 3.76Å; I139-L164 PolarHBondContact O-N 3.08Å; I139-L164 VanDerWaalsContact O-N 3.15Å
140	H	96.9	Very high	96.3	Very high	101 Å²	101	43 Å²	43	47%	0.468	22%	0.22	S	C	.	.			trans	-109.6	-12.1	178.2	60.8	-88.6	0	0	0	113.4	S116 Q138 N163	S116-H140 PolarHBondContact O-CE1 3.39Å; S116-H140 PolarHBondContact O-N 3.21Å; S116-H140 PolarHBondContact O-ND1 3.23Å; Q138-H140 PolarHBondContact O-N 3.35Å; H140-N163 WeakPolarHBondContact CA-O 3.31Å; H140-N163 HydrophobicContact CB-CB 3.9Å
141	H	96.7	Very high	96.1	Very high	96 Å²	96	39.7 Å²	39.7	44%	0.444	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	137.6	-179.4	-176.2	-86.2	0	0	0	111.6	V117 I118	V117-H141 WeakPolarHBondContact CA-O 3.49Å; V117-H141 HydrophobicContact CG1-CB 4.43Å; I118-H141 PolarHBondContact N-O 3.29Å
142	V	97.2	Very high	95.9	Very high	10 Å²	10	40 Å²	40	6%	0.061	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.6	171	-179.5	0	0	0	0	107.4	I118 I139 F147 L164 L167 P168	I118-V142 HydrophobicContact CB-CB 4.4Å; I118-V142 HydrophobicContact CB-CG1 4.13Å; I118-V142 HydrophobicContact CB-CG2 4.23Å; I118-V142 HydrophobicContact CD1-CG1 4.44Å; I118-V142 HydrophobicContact CD1-CG2 3.87Å; I118-V142 HydrophobicContact CG1-CG2 4.24Å; I118-V142 HydrophobicContact CG2-CG1 4.28Å; I139-V142 HydrophobicContact CG2-CG2 4.22Å; V142-F147 HydrophobicContact CG1-CE1 4.21Å; V142-F147 HydrophobicContact CG1-CE2 4.09Å; V142-F147 HydrophobicContact CG1-CZ 3.73Å; V142-L164 HydrophobicContact CG2-CD2 3.76Å; V142-L167 HydrophobicContact CB-CD2 4.36Å; V142-L167 HydrophobicContact CG2-CD2 3.88Å; V142-P168 HydrophobicContact CG1-CG 4.19Å
143	A	95.6	Very high	95.8	Very high	20 Å²	20	41.5 Å²	41.5	17%	0.165	23%	0.228	C	C	.	.			trans	-68.3	145.4	177.4	0	0	0	0	0	111.4	I118 S146	I118-A143 PolarHBondContact O-N 3.01Å; A143-S146 VanDerWaalsContact O-CB 3.22Å; A143-S146 WeakPolarHBondContact O-CB 3.31Å; A143-S146 PolarHBondContact O-N 2.91Å; A143-S146 PolarHBondContact O-OG 2.92Å
144	P	93.5	Very high	95.7	Very high	88 Å²	88	40.3 Å²	40.3	57%	0.571	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	152.8	167.5	-24	34.2	0	0	0	112	S146 E171	P144-S146 VanDerWaalsContact C-N 3.26Å; P144-S146 PolarHBondContact O-N 3.12Å; P144-E171 WeakPolarHBondContact CA-OE1 3.48Å
145	T	93.1	Very high	95.6	Very high	73 Å²	73	42.2 Å²	42.2	45%	0.448	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	22.7	-172.8	70.6	0	0	0	0	114.7	S120 D148 E171	S120-T145 WeakPolarHBondContact CB-O 3.24Å; S120-T145 VanDerWaalsContact CB-OG1 3.27Å; S120-T145 WeakPolarHBondContact CB-OG1 3.4Å; T145-D148 WeakPolarHBondContact CA-OD2 3.22Å; T145-D148 WeakPolarHBondContact CB-OD2 3.47Å; T145-D148 WeakPolarHBondContact CG2-OD2 3.35Å; T145-E171 WeakPolarHBondContact CA-OE2 3.03Å; T145-E171 VanDerWaalsContact N-CD 3.32Å; T145-E171 PolarHBondContact N-OE1 3.43Å; T145-E171 PolarHBondContact N-OE2 3.47Å
146	S	94.6	Very high	95.6	Very high	5 Å²	5	43.9 Å²	43.9	4%	0.035	24%	0.24	C	C	.	.	S	Bend	trans	-83.4	-19.4	177.8	-64.9	0	0	0	0	113.9	S120 A143 P144 E171	S120-S146 PolarHBondContact N-OG 2.97Å; A143-S146 VanDerWaalsContact O-CB 3.22Å; A143-S146 WeakPolarHBondContact O-CB 3.31Å; A143-S146 PolarHBondContact O-N 2.91Å; A143-S146 PolarHBondContact O-OG 2.92Å; P144-S146 VanDerWaalsContact C-N 3.26Å; P144-S146 PolarHBondContact O-N 3.12Å; S146-E171 PolarHBondContact N-OE2 3.46Å
147	F	95	Very high	95.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-114.2	-10.2	-176.2	-55.6	-33.5	0	0	0	113.7	I118 V142 E149 F150 V151 P168 E171 M175	I118-F147 HydrophobicContact CD1-CE1 4.47Å; V142-F147 HydrophobicContact CG1-CE1 4.21Å; V142-F147 HydrophobicContact CG1-CE2 4.09Å; V142-F147 HydrophobicContact CG1-CZ 3.73Å; F147-E149 PolarHBondContact O-N 3.36Å; F147-F150 HydrophobicContact CB-CE2 3.96Å; F147-F150 HydrophobicContact CB-CZ 4.19Å; F147-F150 AromaticContact CD1-CE2 3.95Å; F147-F150 HydrophobicContact CD1-CE2 3.95Å; F147-F150 AromaticContact CD1-CZ 3.6Å; F147-F150 HydrophobicContact CD1-CZ 3.6Å; F147-F150 HydrophobicContact CE1-CZ 4.43Å; F147-F150 HydrophobicContact CG-CE2 4.24Å; F147-F150 HydrophobicContact CG-CZ 4.28Å; F147-F150 PolarHBondContact O-N 3.4Å; F147-V151 PolarHBondContact O-N 3.4Å; F147-P168 HydrophobicContact CD2-CG 3.93Å; F147-P168 HydrophobicContact CE2-CG 3.88Å; F147-E171 HydrophobicContact CB-CB 4.41Å; F147-E171 HydrophobicContact CD2-CB 4.46Å; F147-E171 PolarHBondContact N-OE2 3.31Å; F147-M175 HydrophobicContact CB-CE 3.71Å; F147-M175 HydrophobicContact CD2-CE 3.79Å; F147-M175 HydrophobicContact CG-CE 4Å
148	D	93	Very high	95.6	Very high	61 Å²	61	40 Å²	40	33%	0.326	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-30.8	-177.6	-79.4	-40.3	0	0	0	114.7	T145 F150 V151 R174	T145-D148 WeakPolarHBondContact CA-OD2 3.22Å; T145-D148 WeakPolarHBondContact CB-OD2 3.47Å; T145-D148 WeakPolarHBondContact CG2-OD2 3.35Å; D148-F150 PolarHBondContact O-N 3.39Å; D148-V151 WeakPolarHBondContact O-CG1 3.32Å; D148-R174 IonicContact OD1-CZ 2.66Å; D148-R174 IonicContact OD1-NE 3.35Å; D148-R174 IonicContact OD1-NH2 3.27Å; D148-R174 PolarHBondContact OD1-NH2 3.14Å; D148-R174 IonicContact OD2-NH2 3.67Å
149	E	92.4	Very high	95.6	Very high	71 Å²	71	35.4 Å²	35.4	33%	0.332	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.7	-179.7	-69	-106.5	172.5	0	0	113.5	K124 G125 V127 F147	K124-E149 HydrophobicContact CG-CG 4.41Å; G125-E149 WeakPolarHBondContact CA-OE2 3.42Å; G125-E149 PolarHBondContact N-OE2 3.42Å; V127-E149 WeakPolarHBondContact CA-O 3.21Å; F147-E149 PolarHBondContact O-N 3.36Å
150	F	94.6	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	12.6	-178	52.2	-103.2	0	0	0	113.7	F123 L126 L129 L132 F147 D148 S152 T153 I154	F123-F150 HydrophobicContact CB-CE1 3.94Å; F123-F150 HydrophobicContact CD2-CE1 4.31Å; F123-F150 HydrophobicContact CD2-CZ 4.42Å; F123-F150 HydrophobicContact CG-CE1 4.31Å; L126-F150 HydrophobicContact CB-CD1 4.28Å; L129-F150 HydrophobicContact CB-CB 3.96Å; L129-F150 HydrophobicContact CB-CD1 4.41Å; L129-F150 HydrophobicContact CB-CG 4.22Å; L129-F150 HydrophobicContact CD2-CD1 3.94Å; L129-F150 HydrophobicContact CD2-CE1 4.02Å; L129-F150 HydrophobicContact CD2-CG 4.19Å; L129-F150 HydrophobicContact CD2-CZ 4.32Å; L132-F150 HydrophobicContact CD2-CE1 4.34Å; L132-F150 HydrophobicContact CD2-CE2 3.97Å; L132-F150 HydrophobicContact CD2-CZ 3.49Å; L132-F150 VanDerWaalsContact CD2-CZ 3.49Å; F147-F150 HydrophobicContact CB-CE2 3.96Å; F147-F150 HydrophobicContact CB-CZ 4.19Å; F147-F150 AromaticContact CD1-CE2 3.95Å; F147-F150 HydrophobicContact CD1-CE2 3.95Å; F147-F150 AromaticContact CD1-CZ 3.6Å; F147-F150 HydrophobicContact CD1-CZ 3.6Å; F147-F150 HydrophobicContact CE1-CZ 4.43Å; F147-F150 HydrophobicContact CG-CE2 4.24Å; F147-F150 HydrophobicContact CG-CZ 4.28Å; F147-F150 PolarHBondContact O-N 3.4Å; D148-F150 PolarHBondContact O-N 3.39Å; F150-S152 PolarHBondContact O-N 2.81Å; F150-S152 VanDerWaalsContact O-N 3.1Å; F150-T153 WeakPolarHBondContact CA-OG1 3.48Å; F150-T153 PolarHBondContact O-N 3.06Å; F150-T153 PolarHBondContact O-OG1 3.08Å; F150-I154 HydrophobicContact CD2-CB 4.05Å; F150-I154 HydrophobicContact CD2-CD1 4.02Å; F150-I154 HydrophobicContact CD2-CG1 4.32Å; F150-I154 HydrophobicContact CE2-CD1 4.25Å; F150-I154 PolarHBondContact O-N 3.07Å
151	V	94.1	Very high	95.7	Very high	21 Å²	21	34 Å²	34	13%	0.127	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.6	-177.5	72.9	0	0	0	0	113.4	F147 D148 E171 R174 M175	F147-V151 PolarHBondContact O-N 3.4Å; D148-V151 WeakPolarHBondContact O-CG1 3.32Å; V151-E171 VanDerWaalsContact CG2-O 3.29Å; V151-E171 WeakPolarHBondContact CG2-O 3.43Å; V151-R174 HydrophobicContact CG2-CB 3.52Å; V151-M175 HydrophobicContact CG2-CG 3.86Å; V151-M175 WeakPolarHBondContact O-CA 3.29Å
152	S	92.8	Very high	95.8	Very high	73 Å²	73	29.8 Å²	29.8	51%	0.51	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.2	177.9	57.6	0	0	0	0	114.7	F150 H177	F150-S152 PolarHBondContact O-N 2.81Å; F150-S152 VanDerWaalsContact O-N 3.1Å; S152-H177 PolarHBondContact O-ND1 3.08Å
153	T	95.6	Very high	95.8	Very high	30 Å²	30	32.7 Å²	32.7	18%	0.184	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-16.8	-171.3	42.1	0	0	0	0	114.5	V127 L129 R130 F150	V127-T153 PolarHBondContact O-OG1 3.05Å; V127-T153 VanDerWaalsContact O-OG1 3.07Å; L129-T153 CarbonylContact O-C 3.6Å; L129-T153 VanDerWaalsContact O-O 3.13Å; L129-T153 PolarHBondContact O-OG1 2.86Å; R130-T153 WeakPolarHBondContact CG-O 3.5Å; F150-T153 WeakPolarHBondContact CA-OG1 3.48Å; F150-T153 PolarHBondContact O-N 3.06Å; F150-T153 PolarHBondContact O-OG1 3.08Å
154	I	96.7	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.			trans	-66.7	134.3	178.6	-160.9	76.6	0	0	0	112.1	L129 R130 L132 F150 M175 H177 I178	L129-I154 HydrophobicContact CD2-CD1 4.45Å; L129-I154 HydrophobicContact CG-CD1 4.41Å; L129-I154 WeakPolarHBondContact O-CA 3.36Å; L129-I154 PolarHBondContact O-N 2.89Å; R130-I154 WeakPolarHBondContact O-CD1 3.49Å; L132-I154 HydrophobicContact CB-CD1 3.92Å; F150-I154 HydrophobicContact CD2-CB 4.05Å; F150-I154 HydrophobicContact CD2-CD1 4.02Å; F150-I154 HydrophobicContact CD2-CG1 4.32Å; F150-I154 HydrophobicContact CE2-CD1 4.25Å; F150-I154 PolarHBondContact O-N 3.07Å; I154-M175 HydrophobicContact CG2-CB 4Å; I154-M175 HydrophobicContact CG2-CE 4.41Å; I154-M175 HydrophobicContact CG2-CG 3.77Å; I154-M175 HydrophobicContact CG2-SD 3.69Å; I154-H177 CarbonylContact O-C 3.58Å; I154-H177 VanDerWaalsContact O-CB 3.32Å; I154-H177 WeakPolarHBondContact O-CB 3.12Å; I154-I178 PolarHBondContact O-N 3.02Å
155	E	96.9	Very high	96	Very high	39 Å²	39	35.6 Å²	35.6	18%	0.182	19%	0.186	C	C	.	.			trans	-118.6	-21.8	-177.4	-75.8	174.3	172.4	0	0	111.8	R130 H177 N179 T180	R130-E155 HydrophobicContact CB-CB 4.26Å; R130-E155 HydrophobicContact CB-CG 4.44Å; R130-E155 WeakPolarHBondContact CD-OE2 3.27Å; R130-E155 HydrophobicContact CG-CG 4.3Å; R130-E155 IonicContact CZ-OE1 3.97Å; R130-E155 VanDerWaalsContact CZ-OE1 3.23Å; R130-E155 IonicContact CZ-OE2 2.8Å; R130-E155 IonicContact NE-OE1 3.6Å; R130-E155 IonicContact NE-OE2 3.36Å; R130-E155 IonicContact NH1-OE1 3.96Å; R130-E155 PolarHBondContact NH1-OE1 2.87Å; R130-E155 IonicContact NH1-OE2 3.52Å; R130-E155 PolarHBondContact NH1-OE2 2.87Å; R130-E155 IonicContact NH2-OE1 3.33Å; R130-E155 WeakPolarHBondContact O-CA 3.26Å; R130-E155 PolarHBondContact O-N 3.35Å; E155-H177 WeakPolarHBondContact CA-O 3.47Å; E155-N179 WeakPolarHBondContact CB-ND2 3.49Å; E155-N179 PolarHBondContact O-N 3.49Å; E155-N179 PolarHBondContact O-ND2 2.99Å; E155-T180 PolarHBondContact O-N 2.94Å
156	D	97.6	Very high	96.2	Very high	36 Å²	36	35.1 Å²	35.1	19%	0.193	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	116.3	-169.3	-178	24.1	0	0	0	109.9	R130 H131 L132 T180	R130-D156 PolarHBondContact O-N 3.09Å; H131-D156 WeakPolarHBondContact CA-O 3.39Å; H131-D156 HydrophobicContact CB-CB 4.39Å; H131-D156 IonicContact CE1-OD2 2.8Å; H131-D156 IonicContact CG-OD2 3.69Å; H131-D156 VanDerWaalsContact ND1-CB 3.3Å; H131-D156 WeakPolarHBondContact ND1-CB 3.48Å; H131-D156 IonicContact ND1-OD2 3.66Å; H131-D156 PolarHBondContact ND1-OD2 3.28Å; L132-D156 PolarHBondContact N-O 3Å; D156-T180 WeakPolarHBondContact OD1-CB 3.46Å
157	L	97.9	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	114.2	-178.1	177.8	59.7	0	0	0	110.5	L132 L159 M175 I178 T180 L181 T182	L132-L157 HydrophobicContact CB-CD1 4.02Å; L132-L157 HydrophobicContact CD2-CD1 4.03Å; L132-L157 HydrophobicContact CG-CD1 4.07Å; L157-L159 HydrophobicContact CD1-CD1 4.33Å; L157-L159 HydrophobicContact CD1-CG 4.23Å; L157-L159 HydrophobicContact CD2-CD1 4.19Å; L157-L159 HydrophobicContact CG-CD1 4.19Å; L157-L159 HydrophobicContact CG-CG 4.37Å; L157-M175 HydrophobicContact CD2-CE 4.36Å; L157-M175 HydrophobicContact CD2-SD 4.27Å; L157-I178 HydrophobicContact CB-CD1 4.07Å; L157-T180 PolarHBondContact N-O 2.95Å; L157-L181 HydrophobicContact CB-CD1 4.1Å; L157-L181 HydrophobicContact CD2-CD1 3.94Å; L157-L181 HydrophobicContact CG-CD1 4.08Å; L157-T182 PolarHBondContact O-N 2.85Å
158	D	98.3	Very high	96.3	Very high	19 Å²	19	36.2 Å²	36.2	10%	0.102	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.2	176.5	163.5	47.6	0	0	0	111.5	L132 I133 L134 G135 S160 T182	L132-D158 PolarHBondContact O-N 2.83Å; I133-D158 HydrophobicContact CD1-CB 3.94Å; I133-D158 HydrophobicContact CG2-CB 4.19Å; I133-D158 WeakPolarHBondContact CG2-OD2 3.36Å; L134-D158 WeakPolarHBondContact CA-O 3.2Å; L134-D158 WeakPolarHBondContact CB-O 3.49Å; L134-D158 PolarHBondContact N-O 2.91Å; G135-D158 WeakPolarHBondContact CA-OD2 3.45Å; G135-D158 PolarHBondContact N-OD2 3.3Å; D158-S160 WeakPolarHBondContact OD1-CB 3.38Å; D158-S160 PolarHBondContact OD1-N 2.98Å; D158-S160 PolarHBondContact OD1-OG 2.72Å; D158-T182 VanDerWaalsContact CA-OG1 3.29Å; D158-T182 WeakPolarHBondContact CA-OG1 3.47Å; D158-T182 WeakPolarHBondContact CB-OG1 3.38Å; D158-T182 PolarHBondContact OD1-OG1 2.87Å
159	L	97.9	Very high	96.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.			trans	-125.9	17.3	174.9	-68.4	164	0	0	0	111.5	L134 L157 N162 L164 L167 T182 L183 N186	L134-L159 HydrophobicContact CB-CD2 3.99Å; L134-L159 HydrophobicContact CD1-CD2 3.85Å; L157-L159 HydrophobicContact CD1-CD1 4.33Å; L157-L159 HydrophobicContact CD1-CG 4.23Å; L157-L159 HydrophobicContact CD2-CD1 4.19Å; L157-L159 HydrophobicContact CG-CD1 4.19Å; L157-L159 HydrophobicContact CG-CG 4.37Å; L159-N162 PolarHBondContact O-ND2 3.16Å; L159-N162 VanDerWaalsContact O-ND2 3.14Å; L159-L164 HydrophobicContact CB-CD1 3.9Å; L159-L164 HydrophobicContact CD1-CD1 4.27Å; L159-L164 HydrophobicContact CD2-CD1 4.38Å; L159-L164 HydrophobicContact CG-CD1 4.42Å; L159-L167 HydrophobicContact CD1-CD1 4.14Å; L159-L167 HydrophobicContact CD1-CD2 4Å; L159-T182 PolarHBondContact N-O 2.8Å; L159-L183 HydrophobicContact CB-CD2 4.06Å; L159-L183 HydrophobicContact CD1-CD2 3.94Å; L159-N186 PolarHBondContact O-ND2 2.83Å
160	S	98.1	Very high	96.3	Very high	13 Å²	13	38.2 Å²	38.2	9%	0.091	20%	0.196	C	C	.	.			trans	-52.2	155.7	-179.1	59.4	0	0	0	0	113.7	G135 N136 D158 N162 T182 D184	G135-S160 CarbonylContact C-O 3.47Å; G135-S160 WeakPolarHBondContact CA-O 3.27Å; G135-S160 VanDerWaalsContact CA-OG 3.28Å; G135-S160 WeakPolarHBondContact CA-OG 3.42Å; N136-S160 PolarHBondContact N-O 2.99Å; D158-S160 WeakPolarHBondContact OD1-CB 3.38Å; D158-S160 PolarHBondContact OD1-N 2.98Å; D158-S160 PolarHBondContact OD1-OG 2.72Å; S160-N162 PolarHBondContact O-N 2.82Å; S160-N162 PolarHBondContact O-ND2 2.97Å; S160-T182 PolarHBondContact N-O 2.86Å; S160-D184 CarbonylContact C-O 3.25Å; S160-D184 WeakPolarHBondContact CA-O 3.47Å; S160-D184 WeakPolarHBondContact CB-OD1 3.37Å
161	N	98	Very high	96.2	Very high	60 Å²	60	38.6 Å²	38.6	32%	0.321	20%	0.197	S	C	.	.	S	Bend	trans	47.8	58.3	173.8	-56.5	116.4	0	0	0	113.1	N136 N137 D184 H185	N136-N161 WeakPolarHBondContact CA-O 3.1Å; N136-N161 HydrophobicContact CB-CB 4.33Å; N136-N161 PolarHBondContact ND2-OD1 2.85Å; N137-N161 PolarHBondContact N-O 2.83Å; N161-D184 PolarHBondContact N-O 3.1Å; N161-H185 VanDerWaalsContact CA-O 3.29Å; N161-H185 WeakPolarHBondContact CA-O 3.37Å; N161-H185 HydrophobicContact CB-CB 4.43Å; N161-H185 WeakPolarHBondContact ND2-CB 3.44Å
162	N	98.5	Very high	96.2	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	19%	0.191	C	C	.	.	S	Bend	trans	-132	-172	179.4	-89.4	-78.9	0	0	0	110.5	L134 N137 Q138 I139 L159 S160 L164 H185 N186	L134-N162 PolarHBondContact O-ND2 3.36Å; L134-N162 VanDerWaalsContact O-ND2 3.17Å; N137-N162 WeakPolarHBondContact CA-OD1 3.45Å; N137-N162 WeakPolarHBondContact CB-OD1 3.44Å; Q138-N162 PolarHBondContact N-OD1 3.48Å; I139-N162 VanDerWaalsContact CB-OD1 3.29Å; I139-N162 WeakPolarHBondContact CB-OD1 3.06Å; I139-N162 VanDerWaalsContact CG1-OD1 3.31Å; I139-N162 WeakPolarHBondContact CG1-OD1 3.33Å; I139-N162 PolarHBondContact N-OD1 3.04Å; L159-N162 PolarHBondContact O-ND2 3.16Å; L159-N162 VanDerWaalsContact O-ND2 3.14Å; S160-N162 PolarHBondContact O-N 2.82Å; S160-N162 PolarHBondContact O-ND2 2.97Å; N162-L164 HydrophobicContact CB-CD1 4.44Å; N162-L164 HydrophobicContact CB-CG 4.26Å; N162-H185 PolarHBondContact N-O 2.88Å; N162-N186 WeakPolarHBondContact CA-OD1 3.44Å; N162-N186 WeakPolarHBondContact CB-OD1 3.35Å; N162-N186 PolarHBondContact O-OD1 2.87Å
163	N	97.9	Very high	96.2	Very high	71 Å²	71	34.6 Å²	34.6	38%	0.38	17%	0.172	S	C	.	.			trans	-111.3	21.8	-177.5	-63.7	-57.5	0	0	0	112.5	Q138 I139 H140 R165 N186 L187	Q138-N163 WeakPolarHBondContact CA-ND2 3.42Å; Q138-N163 PolarHBondContact O-ND2 2.79Å; Q138-N163 VanDerWaalsContact O-ND2 3.12Å; I139-N163 CarbonylContact O-C 3.16Å; I139-N163 VanDerWaalsContact O-CA 3.29Å; I139-N163 WeakPolarHBondContact O-CA 3.3Å; I139-N163 WeakPolarHBondContact O-CB 3.21Å; I139-N163 PolarHBondContact O-N 3.28Å; H140-N163 WeakPolarHBondContact CA-O 3.31Å; H140-N163 HydrophobicContact CB-CB 3.9Å; N163-R165 PolarHBondContact O-N 3.05Å; N163-N186 PolarHBondContact N-OD1 2.7Å; N163-L187 HydrophobicContact CB-CD1 4.26Å
164	L	97.8	Very high	96.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.184	C	C	.	.			trans	-67.8	128	-171.1	-63.1	166.8	0	0	0	110.9	I139 V142 L159 N162 L167 N186 L187 I188	I139-L164 HydrophobicContact CB-CD2 4.34Å; I139-L164 HydrophobicContact CG2-CD2 3.76Å; I139-L164 PolarHBondContact O-N 3.08Å; I139-L164 VanDerWaalsContact O-N 3.15Å; V142-L164 HydrophobicContact CG2-CD2 3.76Å; L159-L164 HydrophobicContact CB-CD1 3.9Å; L159-L164 HydrophobicContact CD1-CD1 4.27Å; L159-L164 HydrophobicContact CD2-CD1 4.38Å; L159-L164 HydrophobicContact CG-CD1 4.42Å; N162-L164 HydrophobicContact CB-CD1 4.44Å; N162-L164 HydrophobicContact CB-CG 4.26Å; L164-L167 HydrophobicContact CD1-CD1 4.48Å; L164-L167 HydrophobicContact CD1-CD2 4.03Å; L164-L167 HydrophobicContact CD1-CG 4.44Å; L164-L167 HydrophobicContact CD2-CD2 4.27Å; L164-N186 HydrophobicContact CB-CB 4.42Å; L164-N186 VanDerWaalsContact CB-OD1 3.24Å; L164-N186 WeakPolarHBondContact CB-OD1 3.4Å; L164-N186 WeakPolarHBondContact CG-OD1 3.32Å; L164-N186 PolarHBondContact N-OD1 3.13Å; L164-L187 CarbonylContact O-C 3.56Å; L164-L187 WeakPolarHBondContact O-CA 3.32Å; L164-L187 WeakPolarHBondContact O-CB 3.39Å; L164-L187 PolarHBondContact O-N 3.5Å; L164-I188 HydrophobicContact CB-CG1 4.26Å; L164-I188 WeakPolarHBondContact O-CG1 3.2Å; L164-I188 PolarHBondContact O-N 2.99Å
165	R	96	Very high	96	Very high	169 Å²	169	38.5 Å²	38.5	64%	0.638	18%	0.184	S	C	*	.	S	Bend	trans	-93.8	-29.8	171	-63.2	-172.8	-176.1	-168	1.1	113.5	N163 L187 I188 D189	N163-R165 PolarHBondContact O-N 3.05Å; R165-L187 HydrophobicContact CG-CB 4.24Å; R165-I188 WeakPolarHBondContact O-CA 3.48Å; R165-D189 PolarHBondContact O-N 3.07Å
166	T	95.9	Very high	95.7	Very high	62 Å²	62	39.1 Å²	39.1	38%	0.38	19%	0.192	S	C	.	.			trans	-156.6	168.5	177	-170.8	0	0	0	0	109	W169 H190	T166-W169 PolarHBondContact OG1-NE1 3.38Å; T166-H190 PolarHBondContact OG1-CE1 3.06Å; T166-H190 PolarHBondContact OG1-NE2 2.94Å
167	L	96.1	Very high	95.5	Very high	11 Å²	11	40.8 Å²	40.8	6%	0.058	20%	0.199	C	C	.	.			trans	-134.6	161.8	-178.5	-78.9	169.1	0	0	0	110	V142 L159 L164 W169 I172 L183 I188	V142-L167 HydrophobicContact CB-CD2 4.36Å; V142-L167 HydrophobicContact CG2-CD2 3.88Å; L159-L167 HydrophobicContact CD1-CD1 4.14Å; L159-L167 HydrophobicContact CD1-CD2 4Å; L164-L167 HydrophobicContact CD1-CD1 4.48Å; L164-L167 HydrophobicContact CD1-CD2 4.03Å; L164-L167 HydrophobicContact CD1-CG 4.44Å; L164-L167 HydrophobicContact CD2-CD2 4.27Å; L167-W169 HydrophobicContact CB-CD2 4.26Å; L167-W169 HydrophobicContact CB-CE3 4.24Å; L167-W169 HydrophobicContact CB-CH2 4.12Å; L167-W169 HydrophobicContact CB-CZ2 4.11Å; L167-W169 HydrophobicContact CB-CZ3 4.18Å; L167-W169 HydrophobicContact CD1-CH2 4.04Å; L167-W169 HydrophobicContact CD1-CZ3 4.19Å; L167-W169 PolarHBondContact O-N 3.34Å; L167-I172 HydrophobicContact CB-CD1 3.78Å; L167-I172 HydrophobicContact CD1-CD1 3.89Å; L167-I172 HydrophobicContact CG-CD1 4.34Å; L167-L183 HydrophobicContact CD1-CD1 4.17Å; L167-L183 HydrophobicContact CD1-CD2 3.63Å; L167-I188 HydrophobicContact CD1-CD1 4.15Å
168	P	95.3	Very high	95.3	Very high	18 Å²	18	40.8 Å²	40.8	12%	0.117	20%	0.199	C	C	.	.			trans	-71.1	79.2	170.4	30.8	-35.1	0	0	0	110	V142 F147 E170 E171 I172	V142-P168 HydrophobicContact CG1-CG 4.19Å; F147-P168 HydrophobicContact CD2-CG 3.93Å; F147-P168 HydrophobicContact CE2-CG 3.88Å; P168-E170 PolarHBondContact O-N 3.37Å; P168-E171 HydrophobicContact CB-CB 4.13Å; P168-E171 HydrophobicContact CB-CG 4.27Å; P168-E171 WeakPolarHBondContact CB-OE1 3.16Å; P168-E171 HydrophobicContact CG-CB 4.3Å; P168-E171 WeakPolarHBondContact O-CB 3.28Å; P168-E171 PolarHBondContact O-N 3.35Å; P168-I172 PolarHBondContact O-N 3.19Å; P168-I172 VanDerWaalsContact O-N 3.11Å
169	W	94.2	Very high	95.1	Very high	21 Å²	21	42.6 Å²	42.6	8%	0.08	21%	0.208	C	C	.	.	H	α-helix	trans	-55.7	-35.7	-177.1	-60.4	121.9	0	0	0	112.7	T166 L167 E171 I172 G173 L183 I188 H190 I191 T195	T166-W169 PolarHBondContact OG1-NE1 3.38Å; L167-W169 HydrophobicContact CB-CD2 4.26Å; L167-W169 HydrophobicContact CB-CE3 4.24Å; L167-W169 HydrophobicContact CB-CH2 4.12Å; L167-W169 HydrophobicContact CB-CZ2 4.11Å; L167-W169 HydrophobicContact CB-CZ3 4.18Å; L167-W169 HydrophobicContact CD1-CH2 4.04Å; L167-W169 HydrophobicContact CD1-CZ3 4.19Å; L167-W169 PolarHBondContact O-N 3.34Å; W169-E171 VanDerWaalsContact C-N 3.33Å; W169-E171 PolarHBondContact O-N 3.28Å; W169-I172 HydrophobicContact CE3-CD1 3.95Å; W169-I172 HydrophobicContact CZ3-CD1 4.07Å; W169-I172 PolarHBondContact O-N 3.23Å; W169-G173 PolarHBondContact O-N 2.87Å; W169-L183 HydrophobicContact CH2-CD1 4.19Å; W169-L183 HydrophobicContact CZ3-CD1 4.22Å; W169-I188 HydrophobicContact CH2-CD1 4.37Å; W169-I188 HydrophobicContact CH2-CG2 4.12Å; W169-I188 HydrophobicContact CZ2-CG2 3.74Å; W169-H190 WeakPolarHBondContact CZ2-O 3.34Å; W169-H190 AromaticContact NE1-CD2 3.94Å; W169-H190 AromaticContact NE1-NE2 3.78Å; W169-I191 HydrophobicContact CD2-CG2 4.39Å; W169-I191 HydrophobicContact CE3-CG2 4.2Å; W169-I191 HydrophobicContact CH2-CG1 4.07Å; W169-I191 HydrophobicContact CH2-CG2 4.4Å; W169-I191 HydrophobicContact CZ2-CB 4.44Å; W169-I191 HydrophobicContact CZ2-CG1 4.19Å; W169-I191 HydrophobicContact CZ3-CG2 4.2Å; W169-T195 HydrophobicContact CB-CG2 4.5Å; W169-T195 HydrophobicContact CE3-CG2 4.1Å
170	E	92.5	Very high	95	Very high	152 Å²	152	44.5 Å²	44.5	71%	0.71	22%	0.22	S	C	*	.	H	α-helix	trans	-59.4	-36	172.6	-67	-62.5	149.7	0	0	113.8	P168 R174	P168-E170 PolarHBondContact O-N 3.37Å; E170-R174 VanDerWaalsContact C-NH1 3.35Å; E170-R174 WeakPolarHBondContact O-CG 3.2Å; E170-R174 PolarHBondContact O-NH1 3.34Å
171	E	92.3	Very high	95	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-75.3	-40.9	174.5	-77.1	164.3	-108.9	0	0	110.6	P144 T145 S146 F147 V151 P168 W169 R174	P144-E171 WeakPolarHBondContact CA-OE1 3.48Å; T145-E171 WeakPolarHBondContact CA-OE2 3.03Å; T145-E171 VanDerWaalsContact N-CD 3.32Å; T145-E171 PolarHBondContact N-OE1 3.43Å; T145-E171 PolarHBondContact N-OE2 3.47Å; S146-E171 PolarHBondContact N-OE2 3.46Å; F147-E171 HydrophobicContact CB-CB 4.41Å; F147-E171 HydrophobicContact CD2-CB 4.46Å; F147-E171 PolarHBondContact N-OE2 3.31Å; V151-E171 VanDerWaalsContact CG2-O 3.29Å; V151-E171 WeakPolarHBondContact CG2-O 3.43Å; P168-E171 HydrophobicContact CB-CB 4.13Å; P168-E171 HydrophobicContact CB-CG 4.27Å; P168-E171 WeakPolarHBondContact CB-OE1 3.16Å; P168-E171 HydrophobicContact CG-CB 4.3Å; P168-E171 WeakPolarHBondContact O-CB 3.28Å; P168-E171 PolarHBondContact O-N 3.35Å; W169-E171 VanDerWaalsContact C-N 3.33Å; W169-E171 PolarHBondContact O-N 3.28Å; E171-R174 PolarHBondContact O-N 2.59Å
172	I	94.1	Very high	94.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-42.7	179.5	-64.8	173.2	0	0	0	111.1	L167 P168 W169 R174 M175 L181 T195	L167-I172 HydrophobicContact CB-CD1 3.78Å; L167-I172 HydrophobicContact CD1-CD1 3.89Å; L167-I172 HydrophobicContact CG-CD1 4.34Å; P168-I172 PolarHBondContact O-N 3.19Å; P168-I172 VanDerWaalsContact O-N 3.11Å; W169-I172 HydrophobicContact CE3-CD1 3.95Å; W169-I172 HydrophobicContact CZ3-CD1 4.07Å; W169-I172 PolarHBondContact O-N 3.23Å; I172-R174 PolarHBondContact O-N 3.09Å; I172-R174 VanDerWaalsContact O-N 3.16Å; I172-M175 HydrophobicContact CG1-CE 4.23Å; I172-M175 HydrophobicContact CG1-SD 4.44Å; I172-M175 VanDerWaalsContact O-CB 3.23Å; I172-M175 WeakPolarHBondContact O-CB 3.44Å; I172-M175 WeakPolarHBondContact O-CG 3.47Å; I172-M175 PolarHBondContact O-N 2.71Å; I172-L181 HydrophobicContact CG2-CD2 4.01Å; I172-T195 HydrophobicContact CB-CG2 4.3Å; I172-T195 HydrophobicContact CG2-CG2 3.98Å
173	G	92.8	Very high	94.9	Very high	11 Å²	11	41.7 Å²	41.7	11%	0.113	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.5	177.7	0	0	0	0	0	114.7	W169 T195	W169-G173 PolarHBondContact O-N 2.87Å; G173-T195 WeakPolarHBondContact CA-O 3.26Å
174	R	93.3	Very high	94.8	Very high	112 Å²	112	39.3 Å²	39.3	42%	0.423	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.1	171.6	-68.4	-170.4	-60.6	-96	17.9	113.5	D148 V151 E170 E171 I172 S176	D148-R174 IonicContact OD1-CZ 2.66Å; D148-R174 IonicContact OD1-NE 3.35Å; D148-R174 IonicContact OD1-NH2 3.27Å; D148-R174 PolarHBondContact OD1-NH2 3.14Å; D148-R174 IonicContact OD2-NH2 3.67Å; V151-R174 HydrophobicContact CG2-CB 3.52Å; E170-R174 VanDerWaalsContact C-NH1 3.35Å; E170-R174 WeakPolarHBondContact O-CG 3.2Å; E170-R174 PolarHBondContact O-NH1 3.34Å; E171-R174 PolarHBondContact O-N 2.59Å; I172-R174 PolarHBondContact O-N 3.09Å; I172-R174 VanDerWaalsContact O-N 3.16Å; R174-S176 PolarHBondContact O-N 2.87Å
175	M	93.7	Very high	94.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.			trans	-76.7	60.6	-173.2	-62.3	-179.1	178.4	0	0	114.3	F147 V151 I154 L157 I172 H177 I178 L199	F147-M175 HydrophobicContact CB-CE 3.71Å; F147-M175 HydrophobicContact CD2-CE 3.79Å; F147-M175 HydrophobicContact CG-CE 4Å; V151-M175 HydrophobicContact CG2-CG 3.86Å; V151-M175 WeakPolarHBondContact O-CA 3.29Å; I154-M175 HydrophobicContact CG2-CB 4Å; I154-M175 HydrophobicContact CG2-CE 4.41Å; I154-M175 HydrophobicContact CG2-CG 3.77Å; I154-M175 HydrophobicContact CG2-SD 3.69Å; L157-M175 HydrophobicContact CD2-CE 4.36Å; L157-M175 HydrophobicContact CD2-SD 4.27Å; I172-M175 HydrophobicContact CG1-CE 4.23Å; I172-M175 HydrophobicContact CG1-SD 4.44Å; I172-M175 VanDerWaalsContact O-CB 3.23Å; I172-M175 WeakPolarHBondContact O-CB 3.44Å; I172-M175 WeakPolarHBondContact O-CG 3.47Å; I172-M175 PolarHBondContact O-N 2.71Å; M175-H177 PolarHBondContact O-N 2.95Å; M175-I178 HydrophobicContact CB-CB 4.12Å; M175-I178 HydrophobicContact CB-CG2 4.07Å; M175-I178 WeakPolarHBondContact O-CG2 3.17Å; M175-I178 PolarHBondContact O-N 3.39Å; M175-I178 HydrophobicContact SD-CD1 4.19Å; M175-L199 HydrophobicContact CB-CD2 4.3Å; M175-L199 WeakPolarHBondContact O-CD2 3.29Å
176	S	90.6	Very high	95	Very high	51 Å²	51	35.8 Å²	35.8	36%	0.357	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-1.7	-179.3	62.6	0	0	0	0	117.9	R174 K201	R174-S176 PolarHBondContact O-N 2.87Å; S176-K201 PolarHBondContact O-NZ 3.3Å
177	H	94	Very high	95.1	Very high	72 Å²	72	35.2 Å²	35.2	33%	0.333	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-4.1	-179	-77.4	69.5	0	0	0	114.2	S152 I154 E155 M175 N179 K201	S152-H177 PolarHBondContact O-ND1 3.08Å; I154-H177 CarbonylContact O-C 3.58Å; I154-H177 VanDerWaalsContact O-CB 3.32Å; I154-H177 WeakPolarHBondContact O-CB 3.12Å; E155-H177 WeakPolarHBondContact CA-O 3.47Å; M175-H177 PolarHBondContact O-N 2.95Å; H177-N179 PolarHBondContact O-ND2 2.91Å; H177-K201 PolarHBondContact CD2-NZ 3.02Å; H177-K201 PolarHBondContact CE1-NZ 3.49Å; H177-K201 VanDerWaalsContact CE1-NZ 3.3Å; H177-K201 PolarHBondContact NE2-NZ 3.37Å
178	I	94.9	Very high	95.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.			trans	-69.7	130.7	-177	-162	167	0	0	0	112	I154 L157 M175 T180 L181 L199 K201 L202	I154-I178 PolarHBondContact O-N 3.02Å; L157-I178 HydrophobicContact CB-CD1 4.07Å; M175-I178 HydrophobicContact CB-CB 4.12Å; M175-I178 HydrophobicContact CB-CG2 4.07Å; M175-I178 WeakPolarHBondContact O-CG2 3.17Å; M175-I178 PolarHBondContact O-N 3.39Å; M175-I178 HydrophobicContact SD-CD1 4.19Å; I178-T180 VanDerWaalsContact CG1-O 3.32Å; I178-T180 WeakPolarHBondContact CG1-O 3.43Å; I178-L181 HydrophobicContact CD1-CB 3.9Å; I178-L181 HydrophobicContact CD1-CD1 4.1Å; I178-L181 HydrophobicContact CD1-CG 4.39Å; I178-L199 HydrophobicContact CG2-CB 4.29Å; I178-L199 HydrophobicContact CG2-CD1 4.03Å; I178-L199 HydrophobicContact CG2-CD2 4.03Å; I178-L199 HydrophobicContact CG2-CG 4.35Å; I178-K201 CarbonylContact O-C 3.54Å; I178-L202 HydrophobicContact CG1-CD1 4.47Å; I178-L202 HydrophobicContact CG2-CD1 4.22Å; I178-L202 WeakPolarHBondContact O-CA 3.3Å; I178-L202 PolarHBondContact O-N 2.93Å
179	N	93.9	Very high	95.1	Very high	56 Å²	56	37.4 Å²	37.4	30%	0.299	19%	0.188	S	C	.	.	S	Bend	trans	-110.5	-31.9	176.8	-45.2	-79	0	0	0	111.1	E155 H177 V203 R204	E155-N179 WeakPolarHBondContact CB-ND2 3.49Å; E155-N179 PolarHBondContact O-N 3.49Å; E155-N179 PolarHBondContact O-ND2 2.99Å; H177-N179 PolarHBondContact O-ND2 2.91Å; N179-V203 PolarHBondContact O-N 2.74Å; N179-R204 PolarHBondContact O-N 2.97Å
180	T	95.6	Very high	95.1	Very high	40 Å²	40	40.8 Å²	40.8	25%	0.245	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130	178	-61.8	0	0	0	0	110.5	E155 D156 L157 I178 T182 R204	E155-T180 PolarHBondContact O-N 2.94Å; D156-T180 WeakPolarHBondContact OD1-CB 3.46Å; L157-T180 PolarHBondContact N-O 2.95Å; I178-T180 VanDerWaalsContact CG1-O 3.32Å; I178-T180 WeakPolarHBondContact CG1-O 3.43Å; T180-T182 HydrophobicContact CG2-CG2 4.03Å; T180-R204 WeakPolarHBondContact CA-O 3.44Å; T180-R204 HydrophobicContact CG2-CB 4.29Å
181	L	96.7	Very high	95.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	113	170.3	-179	55.4	0	0	0	108.9	L157 I172 I178 L183 F196 L202 R204 L205 D206	L157-L181 HydrophobicContact CB-CD1 4.1Å; L157-L181 HydrophobicContact CD2-CD1 3.94Å; L157-L181 HydrophobicContact CG-CD1 4.08Å; I172-L181 HydrophobicContact CG2-CD2 4.01Å; I178-L181 HydrophobicContact CD1-CB 3.9Å; I178-L181 HydrophobicContact CD1-CD1 4.1Å; I178-L181 HydrophobicContact CD1-CG 4.39Å; L181-L183 HydrophobicContact CD1-CD2 3.82Å; L181-L183 HydrophobicContact CD1-CG 4.11Å; L181-L183 HydrophobicContact CD2-CD1 4.28Å; L181-L183 HydrophobicContact CG-CD1 4.23Å; L181-L183 HydrophobicContact CG-CD2 4.31Å; L181-L183 HydrophobicContact CG-CG 4.03Å; L181-F196 HydrophobicContact CD2-CE1 4.41Å; L181-L202 HydrophobicContact CB-CD1 4.04Å; L181-R204 PolarHBondContact N-O 2.89Å; L181-L205 HydrophobicContact CB-CD1 4.09Å; L181-L205 HydrophobicContact CD2-CD1 3.93Å; L181-L205 HydrophobicContact CG-CD1 4.04Å; L181-L205 WeakPolarHBondContact O-CA 3.35Å; L181-D206 PolarHBondContact O-N 3.43Å
182	T	97.6	Very high	95.1	Very high	20 Å²	20	34.8 Å²	34.8	12%	0.123	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	115.4	177.7	49.9	0	0	0	0	110.9	L157 D158 L159 S160 T180 D206	L157-T182 PolarHBondContact O-N 2.85Å; D158-T182 VanDerWaalsContact CA-OG1 3.29Å; D158-T182 WeakPolarHBondContact CA-OG1 3.47Å; D158-T182 WeakPolarHBondContact CB-OG1 3.38Å; D158-T182 PolarHBondContact OD1-OG1 2.87Å; L159-T182 PolarHBondContact N-O 2.8Å; S160-T182 PolarHBondContact N-O 2.86Å; T180-T182 HydrophobicContact CG2-CG2 4.03Å; T182-D206 HydrophobicContact CG2-CB 3.91Å
183	L	97.5	Very high	94.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	22%	0.218	C	C	.	.			trans	-121.7	11.3	-175.7	-57.5	-179.1	0	0	0	111.8	L159 L167 W169 L181 N186 I188 D206 N210	L159-L183 HydrophobicContact CB-CD2 4.06Å; L159-L183 HydrophobicContact CD1-CD2 3.94Å; L167-L183 HydrophobicContact CD1-CD1 4.17Å; L167-L183 HydrophobicContact CD1-CD2 3.63Å; W169-L183 HydrophobicContact CH2-CD1 4.19Å; W169-L183 HydrophobicContact CZ3-CD1 4.22Å; L181-L183 HydrophobicContact CD1-CD2 3.82Å; L181-L183 HydrophobicContact CD1-CG 4.11Å; L181-L183 HydrophobicContact CD2-CD1 4.28Å; L181-L183 HydrophobicContact CG-CD1 4.23Å; L181-L183 HydrophobicContact CG-CD2 4.31Å; L181-L183 HydrophobicContact CG-CG 4.03Å; L183-N186 PolarHBondContact O-ND2 2.9Å; L183-I188 HydrophobicContact CB-CD1 4.11Å; L183-I188 HydrophobicContact CD1-CD1 4.22Å; L183-D206 WeakPolarHBondContact CA-O 3.41Å; L183-D206 WeakPolarHBondContact CB-O 3.38Å; L183-D206 PolarHBondContact N-O 2.97Å; L183-N210 PolarHBondContact O-ND2 3.47Å
184	D	97.1	Very high	94.5	Very high	21 Å²	21	40.4 Å²	40.4	11%	0.112	23%	0.231	C	C	.	.			trans	-63.7	159	-172.3	64.3	-78.3	0	0	0	113.4	S160 N161 N186 T208	S160-D184 CarbonylContact C-O 3.25Å; S160-D184 WeakPolarHBondContact CA-O 3.47Å; S160-D184 WeakPolarHBondContact CB-OD1 3.37Å; N161-D184 PolarHBondContact N-O 3.1Å; D184-N186 PolarHBondContact O-N 3.41Å; D184-N186 PolarHBondContact O-ND2 2.81Å; D184-T208 CarbonylContact C-O 3.57Å; D184-T208 WeakPolarHBondContact CA-O 3.32Å; D184-T208 VanDerWaalsContact CB-OG1 3.28Å; D184-T208 WeakPolarHBondContact CB-OG1 3.38Å
185	H	97.9	Very high	94.4	Very high	87 Å²	87	35.6 Å²	35.6	40%	0.403	21%	0.213	S	C	.	.	S	Bend	trans	51.7	52.4	178.1	-60.4	91.1	0	0	0	112.9	N161 N162 T208 S209	N161-H185 VanDerWaalsContact CA-O 3.29Å; N161-H185 WeakPolarHBondContact CA-O 3.37Å; N161-H185 HydrophobicContact CB-CB 4.43Å; N161-H185 WeakPolarHBondContact ND2-CB 3.44Å; N162-H185 PolarHBondContact N-O 2.88Å; H185-T208 PolarHBondContact N-O 2.9Å; H185-S209 VanDerWaalsContact CA-O 3.31Å; H185-S209 WeakPolarHBondContact CA-O 3.44Å; H185-S209 WeakPolarHBondContact CD2-CB 3.41Å; H185-S209 PolarHBondContact CD2-OG 3.37Å; H185-S209 PolarHBondContact NE2-OG 3.31Å
186	N	98.6	Very high	94.1	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	21%	0.214	C	C	.	.	S	Bend	trans	-125.2	-165.9	177.4	-89.5	-85	0	0	0	110.4	L159 N162 N163 L164 L183 D184 I188 S209 N210	L159-N186 PolarHBondContact O-ND2 2.83Å; N162-N186 WeakPolarHBondContact CA-OD1 3.44Å; N162-N186 WeakPolarHBondContact CB-OD1 3.35Å; N162-N186 PolarHBondContact O-OD1 2.87Å; N163-N186 PolarHBondContact N-OD1 2.7Å; L164-N186 HydrophobicContact CB-CB 4.42Å; L164-N186 VanDerWaalsContact CB-OD1 3.24Å; L164-N186 WeakPolarHBondContact CB-OD1 3.4Å; L164-N186 WeakPolarHBondContact CG-OD1 3.32Å; L164-N186 PolarHBondContact N-OD1 3.13Å; L183-N186 PolarHBondContact O-ND2 2.9Å; D184-N186 PolarHBondContact O-N 3.41Å; D184-N186 PolarHBondContact O-ND2 2.81Å; N186-I188 HydrophobicContact CB-CD1 4.37Å; N186-I188 HydrophobicContact CB-CG1 4.15Å; N186-S209 PolarHBondContact N-O 2.82Å; N186-N210 WeakPolarHBondContact CA-OD1 3.43Å; N186-N210 WeakPolarHBondContact CB-OD1 3.42Å
187	L	97.9	Very high	93.9	Very high	51 Å²	51	36.5 Å²	36.5	27%	0.267	22%	0.217	S	C	.	.			trans	-119.4	22.1	-178	-56.7	173.5	0	0	0	111.7	N163 L164 R165 D189 N210	N163-L187 HydrophobicContact CB-CD1 4.26Å; L164-L187 CarbonylContact O-C 3.56Å; L164-L187 WeakPolarHBondContact O-CA 3.32Å; L164-L187 WeakPolarHBondContact O-CB 3.39Å; L164-L187 PolarHBondContact O-N 3.5Å; R165-L187 HydrophobicContact CG-CB 4.24Å; L187-D189 PolarHBondContact O-N 3.46Å; L187-N210 PolarHBondContact N-OD1 2.93Å
188	I	97.8	Very high	93.6	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	23%	0.229	C	C	.	.			trans	-68.9	123.9	-170.1	-57.5	172.6	0	0	0	109.8	L164 R165 L167 W169 L183 N186 H190 N210 R211 L212	L164-I188 HydrophobicContact CB-CG1 4.26Å; L164-I188 WeakPolarHBondContact O-CG1 3.2Å; L164-I188 PolarHBondContact O-N 2.99Å; R165-I188 WeakPolarHBondContact O-CA 3.48Å; L167-I188 HydrophobicContact CD1-CD1 4.15Å; W169-I188 HydrophobicContact CH2-CD1 4.37Å; W169-I188 HydrophobicContact CH2-CG2 4.12Å; W169-I188 HydrophobicContact CZ2-CG2 3.74Å; L183-I188 HydrophobicContact CB-CD1 4.11Å; L183-I188 HydrophobicContact CD1-CD1 4.22Å; N186-I188 HydrophobicContact CB-CD1 4.37Å; N186-I188 HydrophobicContact CB-CG1 4.15Å; I188-H190 VanDerWaalsContact CG2-O 3.31Å; I188-H190 WeakPolarHBondContact CG2-O 3.29Å; I188-N210 VanDerWaalsContact CB-OD1 3.29Å; I188-N210 WeakPolarHBondContact CB-OD1 3.44Å; I188-N210 WeakPolarHBondContact CG1-OD1 3.25Å; I188-N210 PolarHBondContact N-OD1 3.15Å; I188-R211 CarbonylContact O-C 3.48Å; I188-R211 WeakPolarHBondContact O-CA 3.34Å; I188-R211 WeakPolarHBondContact O-CB 3.22Å; I188-R211 PolarHBondContact O-N 3.47Å; I188-L212 HydrophobicContact CB-CD2 4.44Å; I188-L212 HydrophobicContact CG2-CD2 3.9Å; I188-L212 PolarHBondContact O-N 2.94Å; I188-L212 VanDerWaalsContact O-N 3.08Å
189	D	94.6	Very high	93.3	Very high	70 Å²	70	38.5 Å²	38.5	37%	0.374	23%	0.229	S	C	.	.			trans	-99.7	-29.7	-174.7	51.1	23.7	0	0	0	114	R165 L187 R211	R165-D189 PolarHBondContact O-N 3.07Å; L187-D189 PolarHBondContact O-N 3.46Å; D189-R211 HydrophobicContact CB-CB 4.37Å
190	H	93.7	Very high	92.8	Very high	92 Å²	92	41.7 Å²	41.7	43%	0.426	25%	0.251	S	S	.	.			trans	-141.1	160.6	176.5	70.2	-77.7	0	0	0	112.5	T166 W169 I188	T166-H190 PolarHBondContact OG1-CE1 3.06Å; T166-H190 PolarHBondContact OG1-NE2 2.94Å; W169-H190 WeakPolarHBondContact CZ2-O 3.34Å; W169-H190 AromaticContact NE1-CD2 3.94Å; W169-H190 AromaticContact NE1-NE2 3.78Å; I188-H190 VanDerWaalsContact CG2-O 3.31Å; I188-H190 WeakPolarHBondContact CG2-O 3.29Å
191	I	94.3	Very high	92.5	Very high	17 Å²	17	43.7 Å²	43.7	9%	0.087	26%	0.257	C	S	.	.			trans	-122.4	139.5	171.4	-58.6	169.5	0	0	0	108	W169 A193 F196 M207 L212 L215 P216	W169-I191 HydrophobicContact CD2-CG2 4.39Å; W169-I191 HydrophobicContact CE3-CG2 4.2Å; W169-I191 HydrophobicContact CH2-CG1 4.07Å; W169-I191 HydrophobicContact CH2-CG2 4.4Å; W169-I191 HydrophobicContact CZ2-CB 4.44Å; W169-I191 HydrophobicContact CZ2-CG1 4.19Å; W169-I191 HydrophobicContact CZ3-CG2 4.2Å; I191-A193 PolarHBondContact O-N 3.02Å; I191-F196 HydrophobicContact CD1-CE2 4.27Å; I191-F196 HydrophobicContact CD1-CZ 4.23Å; I191-F196 HydrophobicContact CG2-CE2 3.87Å; I191-F196 HydrophobicContact CG2-CZ 3.74Å; I191-M207 HydrophobicContact CD1-SD 3.5Å; I191-M207 VanDerWaalsContact CD1-SD 3.5Å; I191-L212 HydrophobicContact CD1-CD1 4.01Å; I191-L212 HydrophobicContact CD1-CD2 4.06Å; I191-L212 HydrophobicContact CG1-CD2 3.81Å; I191-L215 HydrophobicContact CD1-CD2 3.73Å; I191-P216 HydrophobicContact CB-CG 4.24Å; I191-P216 HydrophobicContact CG2-CG 4.21Å
192	G	90.8	Very high	92.3	Very high	18 Å²	18	44.2 Å²	44.2	19%	0.186	26%	0.259	C	S	.	.			trans	-60.1	130	175.1	0	0	0	0	0	112.2	G194 T195	G192-G194 PolarHBondContact O-N 3.01Å; G192-T195 WeakPolarHBondContact O-CB 3.3Å; G192-T195 PolarHBondContact O-N 3.25Å; G192-T195 PolarHBondContact O-OG1 3.43Å
193	A	88.2	Confident	91.9	Very high	93 Å²	93	46.9 Å²	46.9	77%	0.769	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	135.5	174.2	0	0	0	0	0	110.3	I191 T195	I191-A193 PolarHBondContact O-N 3.02Å; A193-T195 VanDerWaalsContact C-N 3.34Å
194	G	86.4	Confident	91.6	Very high	36 Å²	36	51.4 Å²	51.4	37%	0.371	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-6.7	-177.9	0	0	0	0	0	115.8	G192 F196 T197	G192-G194 PolarHBondContact O-N 3.01Å; G194-F196 VanDerWaalsContact C-N 3.25Å; G194-F196 PolarHBondContact O-N 2.57Å; G194-F196 VanDerWaalsContact O-N 3.15Å; G194-T197 WeakPolarHBondContact O-CG2 3.39Å; G194-T197 PolarHBondContact O-N 3Å; G194-T197 PolarHBondContact O-OG1 3.43Å
195	T	90.4	Very high	91.4	Very high	10 Å²	10	50.4 Å²	50.4	6%	0.061	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-38.7	-176.9	-58.4	0	0	0	0	113.4	W169 I172 G173 G192 A193	W169-T195 HydrophobicContact CB-CG2 4.5Å; W169-T195 HydrophobicContact CE3-CG2 4.1Å; I172-T195 HydrophobicContact CB-CG2 4.3Å; I172-T195 HydrophobicContact CG2-CG2 3.98Å; G173-T195 WeakPolarHBondContact CA-O 3.26Å; G192-T195 WeakPolarHBondContact O-CB 3.3Å; G192-T195 PolarHBondContact O-N 3.25Å; G192-T195 PolarHBondContact O-OG1 3.43Å; A193-T195 VanDerWaalsContact C-N 3.34Å
196	F	88.7	Confident	91.3	Very high	2 Å²	2	47 Å²	47	1%	0.009	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-12	-171.2	-50.3	-49.7	0	0	0	113.7	L181 I191 G194 L198 L199 L205 M207 D218 L220 F221	L181-F196 HydrophobicContact CD2-CE1 4.41Å; I191-F196 HydrophobicContact CD1-CE2 4.27Å; I191-F196 HydrophobicContact CD1-CZ 4.23Å; I191-F196 HydrophobicContact CG2-CE2 3.87Å; I191-F196 HydrophobicContact CG2-CZ 3.74Å; G194-F196 VanDerWaalsContact C-N 3.25Å; G194-F196 PolarHBondContact O-N 2.57Å; G194-F196 VanDerWaalsContact O-N 3.15Å; F196-L198 PolarHBondContact O-N 2.99Å; F196-L198 VanDerWaalsContact O-N 3.07Å; F196-L199 HydrophobicContact CD1-CD1 3.85Å; F196-L199 WeakPolarHBondContact O-CB 3.42Å; F196-L199 PolarHBondContact O-N 3.35Å; F196-L205 HydrophobicContact CD2-CD2 4.38Å; F196-L205 HydrophobicContact CE1-CD1 4.43Å; F196-L205 HydrophobicContact CE1-CD2 4.22Å; F196-L205 HydrophobicContact CE2-CD2 3.98Å; F196-L205 HydrophobicContact CZ-CD1 4.42Å; F196-L205 HydrophobicContact CZ-CD2 3.89Å; F196-M207 HydrophobicContact CZ-SD 4.38Å; F196-D218 WeakPolarHBondContact CA-OD2 3.33Å; F196-D218 WeakPolarHBondContact CB-OD2 3.09Å; F196-D218 PolarHBondContact N-OD2 2.93Å; F196-L220 HydrophobicContact CB-CB 4.05Å; F196-L220 HydrophobicContact CB-CD1 4.18Å; F196-L220 HydrophobicContact CB-CD2 3.99Å; F196-L220 HydrophobicContact CB-CG 4.27Å; F196-L220 HydrophobicContact CG-CD2 4.4Å; F196-F221 AromaticContact CD2-CE2 3.94Å; F196-F221 HydrophobicContact CD2-CE2 3.94Å; F196-F221 AromaticContact CD2-CZ 3.7Å; F196-F221 HydrophobicContact CD2-CZ 3.7Å; F196-F221 HydrophobicContact CE2-CE2 4.37Å; F196-F221 AromaticContact CE2-CZ 3.83Å; F196-F221 HydrophobicContact CE2-CZ 3.83Å
197	T	86.4	Confident	91.1	Very high	68 Å²	68	46.9 Å²	46.9	42%	0.417	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.9	-175.6	58.8	0	0	0	0	115.6	G194 D218	G194-T197 WeakPolarHBondContact O-CG2 3.39Å; G194-T197 PolarHBondContact O-N 3Å; G194-T197 PolarHBondContact O-OG1 3.43Å; T197-D218 WeakPolarHBondContact CG2-OD2 3.44Å; T197-D218 PolarHBondContact N-OD1 3.32Å; T197-D218 PolarHBondContact N-OD2 3.49Å
198	L	86.1	Confident	91	Very high	112 Å²	112	45.8 Å²	45.8	59%	0.586	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.6	180	-60.3	-179	0	0	0	113.4	F196 T200	F196-L198 PolarHBondContact O-N 2.99Å; F196-L198 VanDerWaalsContact O-N 3.07Å; L198-T200 PolarHBondContact O-N 2.74Å
199	L	88.4	Confident	91	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	28%	0.28	C	S	.	.			trans	-85	50.2	-170.9	-50.8	-171.5	0	0	0	112.3	M175 I178 F196 K201 L202 L220	M175-L199 HydrophobicContact CB-CD2 4.3Å; M175-L199 WeakPolarHBondContact O-CD2 3.29Å; I178-L199 HydrophobicContact CG2-CB 4.29Å; I178-L199 HydrophobicContact CG2-CD1 4.03Å; I178-L199 HydrophobicContact CG2-CD2 4.03Å; I178-L199 HydrophobicContact CG2-CG 4.35Å; F196-L199 HydrophobicContact CD1-CD1 3.85Å; F196-L199 WeakPolarHBondContact O-CB 3.42Å; F196-L199 PolarHBondContact O-N 3.35Å; L199-K201 PolarHBondContact O-N 3.4Å; L199-L202 HydrophobicContact CB-CB 4.25Å; L199-L202 HydrophobicContact CD1-CD2 4.44Å; L199-L202 VanDerWaalsContact O-CB 3.3Å; L199-L202 WeakPolarHBondContact O-CB 3.27Å; L199-L202 PolarHBondContact O-N 3.43Å; L199-L220 HydrophobicContact CB-CD1 4.4Å
200	T	85.1	Confident	91.1	Very high	124 Å²	124	44.8 Å²	44.8	76%	0.761	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-4	-174.1	54	0	0	0	0	116.4	L198	L198-T200 PolarHBondContact O-N 2.74Å
201	K	89.4	Confident	91.3	Very high	82 Å²	82	47.2 Å²	47.2	36%	0.357	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-2	176	-64.6	176.4	-170.8	147.2	0	113.9	S176 H177 I178 L199 V203	S176-K201 PolarHBondContact O-NZ 3.3Å; H177-K201 PolarHBondContact CD2-NZ 3.02Å; H177-K201 PolarHBondContact CE1-NZ 3.49Å; H177-K201 VanDerWaalsContact CE1-NZ 3.3Å; H177-K201 PolarHBondContact NE2-NZ 3.37Å; I178-K201 CarbonylContact O-C 3.54Å; L199-K201 PolarHBondContact O-N 3.4Å; K201-V203 PolarHBondContact O-N 3.33Å
202	L	90.5	Very high	91.4	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.052	27%	0.267	C	S	.	.			trans	-66.4	122.9	-176.5	-170.5	67.2	0	0	0	110.1	I178 L181 L199 R204 L205 L220 L238	I178-L202 HydrophobicContact CG1-CD1 4.47Å; I178-L202 HydrophobicContact CG2-CD1 4.22Å; I178-L202 WeakPolarHBondContact O-CA 3.3Å; I178-L202 PolarHBondContact O-N 2.93Å; L181-L202 HydrophobicContact CB-CD1 4.04Å; L199-L202 HydrophobicContact CB-CB 4.25Å; L199-L202 HydrophobicContact CD1-CD2 4.44Å; L199-L202 VanDerWaalsContact O-CB 3.3Å; L199-L202 WeakPolarHBondContact O-CB 3.27Å; L199-L202 PolarHBondContact O-N 3.43Å; L202-R204 WeakPolarHBondContact CD1-O 3.33Å; L202-L205 HydrophobicContact CD2-CB 4.1Å; L202-L205 HydrophobicContact CD2-CD2 4.4Å; L202-L220 HydrophobicContact CB-CD1 4.13Å; L202-L220 HydrophobicContact CD2-CD1 4.01Å; L202-L220 HydrophobicContact CD2-CD2 4.08Å; L202-L238 HydrophobicContact CG-CD1 4.32Å
203	V	90	Very high	91.6	Very high	76 Å²	76	50.9 Å²	50.9	46%	0.461	28%	0.282	S	S	.	.			trans	-111	-28.4	-179.9	174.7	0	0	0	0	111.2	N179 K201 L238 A239	N179-V203 PolarHBondContact O-N 2.74Å; K201-V203 PolarHBondContact O-N 3.33Å; V203-L238 WeakPolarHBondContact O-CA 3.46Å; V203-A239 PolarHBondContact O-N 2.66Å
204	R	91.7	Very high	91.9	Very high	98 Å²	98	50.5 Å²	50.5	37%	0.37	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	127.6	172.9	-174.6	178.4	-174.8	82.1	5.2	112.1	N179 T180 L181 L202 D206 A239	N179-R204 PolarHBondContact O-N 2.97Å; T180-R204 WeakPolarHBondContact CA-O 3.44Å; T180-R204 HydrophobicContact CG2-CB 4.29Å; L181-R204 PolarHBondContact N-O 2.89Å; L202-R204 WeakPolarHBondContact CD1-O 3.33Å; R204-D206 IonicContact CZ-OD2 3.7Å; R204-D206 IonicContact NE-OD2 2.72Å; R204-D206 IonicContact NH2-OD2 3.72Å; R204-D206 PolarHBondContact NH2-OD2 3.49Å; R204-A239 WeakPolarHBondContact CA-O 3.29Å
205	L	93.6	Very high	92.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	107.7	168.5	178.3	57.5	0	0	0	109.5	L181 F196 L202 M207 L220 F221 A239 V240 S241	L181-L205 HydrophobicContact CB-CD1 4.09Å; L181-L205 HydrophobicContact CD2-CD1 3.93Å; L181-L205 HydrophobicContact CG-CD1 4.04Å; L181-L205 WeakPolarHBondContact O-CA 3.35Å; F196-L205 HydrophobicContact CD2-CD2 4.38Å; F196-L205 HydrophobicContact CE1-CD1 4.43Å; F196-L205 HydrophobicContact CE1-CD2 4.22Å; F196-L205 HydrophobicContact CE2-CD2 3.98Å; F196-L205 HydrophobicContact CZ-CD1 4.42Å; F196-L205 HydrophobicContact CZ-CD2 3.89Å; L202-L205 HydrophobicContact CD2-CB 4.1Å; L202-L205 HydrophobicContact CD2-CD2 4.4Å; L205-M207 HydrophobicContact CD1-CG 3.93Å; L205-M207 HydrophobicContact CD1-SD 4.06Å; L205-M207 HydrophobicContact CD2-CE 3.79Å; L205-M207 HydrophobicContact CD2-SD 3.91Å; L205-M207 HydrophobicContact CG-CE 3.98Å; L205-M207 HydrophobicContact CG-CG 4Å; L205-M207 HydrophobicContact CG-SD 3.94Å; L205-L220 HydrophobicContact CD2-CD2 4.38Å; L205-F221 HydrophobicContact CD2-CE1 4.09Å; L205-F221 HydrophobicContact CD2-CZ 4.3Å; L205-A239 PolarHBondContact N-O 3.49Å; L205-V240 HydrophobicContact CB-CG2 4.36Å; L205-V240 HydrophobicContact CD2-CG1 4.49Å; L205-V240 WeakPolarHBondContact O-CA 3.48Å; L205-S241 PolarHBondContact O-N 2.88Å; L205-S241 VanDerWaalsContact O-N 3.1Å
206	D	94.9	Very high	92.2	Very high	16 Å²	16	49.4 Å²	49.4	9%	0.086	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.2	175.9	-151.6	-37.6	0	0	0	110.6	L181 T182 L183 R204 T208	L181-D206 PolarHBondContact O-N 3.43Å; T182-D206 HydrophobicContact CG2-CB 3.91Å; L183-D206 WeakPolarHBondContact CA-O 3.41Å; L183-D206 WeakPolarHBondContact CB-O 3.38Å; L183-D206 PolarHBondContact N-O 2.97Å; R204-D206 IonicContact CZ-OD2 3.7Å; R204-D206 IonicContact NE-OD2 2.72Å; R204-D206 IonicContact NH2-OD2 3.72Å; R204-D206 PolarHBondContact NH2-OD2 3.49Å; D206-T208 WeakPolarHBondContact OD1-CB 3.47Å; D206-T208 WeakPolarHBondContact OD1-CG2 3.4Å; D206-T208 PolarHBondContact OD1-N 2.99Å; D206-T208 VanDerWaalsContact OD1-N 3.14Å; D206-T208 PolarHBondContact OD1-OG1 3.3Å
207	M	95.2	Very high	92.2	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.015	28%	0.278	C	S	.	.			trans	-130.6	16.6	-179.2	-58.5	179.8	-64.9	0	0	110.9	I191 F196 L205 N210 L212 L215 V240 S241 F242 N245	I191-M207 HydrophobicContact CD1-SD 3.5Å; I191-M207 VanDerWaalsContact CD1-SD 3.5Å; F196-M207 HydrophobicContact CZ-SD 4.38Å; L205-M207 HydrophobicContact CD1-CG 3.93Å; L205-M207 HydrophobicContact CD1-SD 4.06Å; L205-M207 HydrophobicContact CD2-CE 3.79Å; L205-M207 HydrophobicContact CD2-SD 3.91Å; L205-M207 HydrophobicContact CG-CE 3.98Å; L205-M207 HydrophobicContact CG-CG 4Å; L205-M207 HydrophobicContact CG-SD 3.94Å; M207-N210 PolarHBondContact O-ND2 3.37Å; M207-L212 HydrophobicContact CB-CD1 4.04Å; M207-L212 HydrophobicContact SD-CD1 4.35Å; M207-L215 HydrophobicContact CE-CD1 4.24Å; M207-L215 HydrophobicContact CE-CD2 3.75Å; M207-L215 HydrophobicContact SD-CD2 4.25Å; M207-V240 HydrophobicContact CE-CG1 3.97Å; M207-S241 PolarHBondContact N-O 2.82Å; M207-F242 HydrophobicContact CE-CB 4.39Å; M207-N245 PolarHBondContact O-ND2 2.94Å
208	T	95.6	Very high	92.1	Very high	28 Å²	28	51.1 Å²	51.1	17%	0.172	26%	0.261	C	S	.	.			trans	-61.6	154.2	-176.8	52.1	0	0	0	0	112.6	D184 H185 D206 N210 G243	D184-T208 CarbonylContact C-O 3.57Å; D184-T208 WeakPolarHBondContact CA-O 3.32Å; D184-T208 VanDerWaalsContact CB-OG1 3.28Å; D184-T208 WeakPolarHBondContact CB-OG1 3.38Å; H185-T208 PolarHBondContact N-O 2.9Å; D206-T208 WeakPolarHBondContact OD1-CB 3.47Å; D206-T208 WeakPolarHBondContact OD1-CG2 3.4Å; D206-T208 PolarHBondContact OD1-N 2.99Å; D206-T208 VanDerWaalsContact OD1-N 3.14Å; D206-T208 PolarHBondContact OD1-OG1 3.3Å; T208-N210 PolarHBondContact O-N 2.96Å; T208-N210 PolarHBondContact O-ND2 3.08Å; T208-N210 VanDerWaalsContact O-ND2 3.09Å; T208-G243 CarbonylContact C-O 3.57Å; T208-G243 WeakPolarHBondContact CA-O 3.46Å; T208-G243 WeakPolarHBondContact CB-O 3.48Å
209	S	96.6	Very high	91.8	Very high	44 Å²	44	48.7 Å²	48.7	31%	0.308	25%	0.254	S	S	.	.	S	Bend	trans	52.5	50.3	176.5	-59.3	0	0	0	0	114.2	H185 N186 G243	H185-S209 VanDerWaalsContact CA-O 3.31Å; H185-S209 WeakPolarHBondContact CA-O 3.44Å; H185-S209 WeakPolarHBondContact CD2-CB 3.41Å; H185-S209 PolarHBondContact CD2-OG 3.37Å; H185-S209 PolarHBondContact NE2-OG 3.31Å; N186-S209 PolarHBondContact N-O 2.82Å; S209-G243 PolarHBondContact N-O 3.03Å
210	N	98.2	Very high	91.4	Very high	9 Å²	9	49.4 Å²	49.4	5%	0.048	26%	0.257	C	S	.	.	S	Bend	trans	-116.3	-162.7	176.6	-92.3	-82.8	0	0	0	111.3	L183 N186 L187 I188 M207 T208 L212 N245 P246	L183-N210 PolarHBondContact O-ND2 3.47Å; N186-N210 WeakPolarHBondContact CA-OD1 3.43Å; N186-N210 WeakPolarHBondContact CB-OD1 3.42Å; L187-N210 PolarHBondContact N-OD1 2.93Å; I188-N210 VanDerWaalsContact CB-OD1 3.29Å; I188-N210 WeakPolarHBondContact CB-OD1 3.44Å; I188-N210 WeakPolarHBondContact CG1-OD1 3.25Å; I188-N210 PolarHBondContact N-OD1 3.15Å; M207-N210 PolarHBondContact O-ND2 3.37Å; T208-N210 PolarHBondContact O-N 2.96Å; T208-N210 PolarHBondContact O-ND2 3.08Å; T208-N210 VanDerWaalsContact O-ND2 3.09Å; N210-L212 HydrophobicContact CB-CD1 4.49Å; N210-L212 HydrophobicContact CB-CG 4.2Å; N210-N245 WeakPolarHBondContact CA-OD1 3.5Å; N210-N245 WeakPolarHBondContact CB-OD1 3.31Å; N210-N245 PolarHBondContact N-OD1 3.28Å; N210-N245 PolarHBondContact O-OD1 2.85Å; N210-P246 WeakPolarHBondContact O-CD 3.2Å
211	R	97.5	Very high	91.2	Very high	144 Å²	144	43.6 Å²	43.6	54%	0.543	22%	0.221	S	C	.	.			trans	-114.1	19.8	177.5	-67.2	-175.6	175.5	-90.3	-7.6	113.1	I188 D189 Q213 N245	I188-R211 CarbonylContact O-C 3.48Å; I188-R211 WeakPolarHBondContact O-CA 3.34Å; I188-R211 WeakPolarHBondContact O-CB 3.22Å; I188-R211 PolarHBondContact O-N 3.47Å; D189-R211 HydrophobicContact CB-CB 4.37Å; R211-Q213 PolarHBondContact O-N 3.43Å; R211-N245 PolarHBondContact N-OD1 3.27Å
212	L	96.4	Very high	90.5	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	23%	0.233	C	C	.	.			trans	-65.5	117.8	-176.3	-58.9	171.8	0	0	0	109.9	I188 I191 M207 N210 L215 N245	I188-L212 HydrophobicContact CB-CD2 4.44Å; I188-L212 HydrophobicContact CG2-CD2 3.9Å; I188-L212 PolarHBondContact O-N 2.94Å; I188-L212 VanDerWaalsContact O-N 3.08Å; I191-L212 HydrophobicContact CD1-CD1 4.01Å; I191-L212 HydrophobicContact CD1-CD2 4.06Å; I191-L212 HydrophobicContact CG1-CD2 3.81Å; M207-L212 HydrophobicContact CB-CD1 4.04Å; M207-L212 HydrophobicContact SD-CD1 4.35Å; N210-L212 HydrophobicContact CB-CD1 4.49Å; N210-L212 HydrophobicContact CB-CG 4.2Å; L212-L215 HydrophobicContact CD1-CD2 3.9Å; L212-N245 HydrophobicContact CB-CB 4.29Å; L212-N245 VanDerWaalsContact CB-OD1 3.29Å; L212-N245 WeakPolarHBondContact CB-OD1 3.36Å; L212-N245 WeakPolarHBondContact CG-OD1 3.22Å; L212-N245 PolarHBondContact N-OD1 3.36Å
213	Q	95.1	Very high	89.6	Confident	108 Å²	108	51.2 Å²	51.2	51%	0.505	26%	0.258	S	S	.	.	S	Bend	trans	-80.5	-34.3	172.1	-65.8	178.5	46.1	0	0	110.9	R211 H248	R211-Q213 PolarHBondContact O-N 3.43Å; Q213-H248 HydrophobicContact CB-CB 3.99Å; Q213-H248 PolarHBondContact O-N 3.18Å
214	K	93.6	Very high	88.4	Confident	86 Å²	86	47.7 Å²	47.7	37%	0.374	24%	0.237	S	C	.	.			trans	-146.6	160.4	178.4	60.8	-174.7	170.4	-173.7	0	112.2	E252 L253	K214-E252 HydrophobicContact CD-CB 4.33Å; K214-E252 WeakPolarHBondContact CD-OE2 3.42Å; K214-E252 WeakPolarHBondContact CE-OE2 3.19Å; K214-E252 IonicContact NZ-OE1 3.89Å; K214-E252 PolarHBondContact NZ-OE1 2.83Å; K214-E252 IonicContact NZ-OE2 2.87Å; K214-E252 PolarHBondContact NZ-OE2 3.21Å; K214-L253 HydrophobicContact CB-CD2 4.08Å; K214-L253 HydrophobicContact CB-CG 4.42Å
215	L	92.4	Very high	87.1	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.016	23%	0.232	C	C	.	.			trans	-109.2	136.1	171.7	-68	177.6	0	0	0	109.5	I191 M207 L212 F242 W255 L256	I191-L215 HydrophobicContact CD1-CD2 3.73Å; M207-L215 HydrophobicContact CE-CD1 4.24Å; M207-L215 HydrophobicContact CE-CD2 3.75Å; M207-L215 HydrophobicContact SD-CD2 4.25Å; L212-L215 HydrophobicContact CD1-CD2 3.9Å; L215-F242 HydrophobicContact CD1-CB 4.15Å; L215-F242 HydrophobicContact CD1-CD1 4.09Å; L215-F242 HydrophobicContact CD1-CD2 4.16Å; L215-F242 HydrophobicContact CD1-CG 3.87Å; L215-W255 HydrophobicContact CB-CZ2 4.02Å; L215-L256 HydrophobicContact CD1-CD2 3.95Å
216	P	90.9	Very high	85.4	Confident	19 Å²	19	48.1 Å²	48.1	12%	0.123	25%	0.246	C	C	.	.			trans	-68.6	139.2	175.2	28.9	-33.5	0	0	0	110.4	I191 D218 F221 W255	I191-P216 HydrophobicContact CB-CG 4.24Å; I191-P216 HydrophobicContact CG2-CG 4.21Å; P216-D218 PolarHBondContact O-N 3.32Å; P216-F221 WeakPolarHBondContact O-CE2 3.17Å; P216-W255 WeakPolarHBondContact O-CZ2 3.26Å
217	P	88	Confident	83.4	Confident	96 Å²	96	53.3 Å²	53.3	62%	0.623	27%	0.273	S	S	*	.			trans	-65.5	126.6	172.6	27.1	-33.3	0	0	0	110.1	W255	P217-W255 HydrophobicContact CB-CD2 3.94Å; P217-W255 HydrophobicContact CB-CG 4.05Å; P217-W255 HydrophobicContact CB-CZ2 4.47Å
218	D	85.5	Confident	81.2	Confident	11 Å²	11	58.1 Å²	58.1	6%	0.059	31%	0.307	C	S	.	.			trans	-141	146.4	-178.7	-159.1	-58.7	0	0	0	109.7	F196 T197 P216 L220 F221	F196-D218 WeakPolarHBondContact CA-OD2 3.33Å; F196-D218 WeakPolarHBondContact CB-OD2 3.09Å; F196-D218 PolarHBondContact N-OD2 2.93Å; T197-D218 WeakPolarHBondContact CG2-OD2 3.44Å; T197-D218 PolarHBondContact N-OD1 3.32Å; T197-D218 PolarHBondContact N-OD2 3.49Å; P216-D218 PolarHBondContact O-N 3.32Å; D218-L220 HydrophobicContact CB-CB 4.38Å; D218-L220 PolarHBondContact O-N 2.93Å; D218-L220 WeakPolarHBondContact OD1-CB 3.29Å; D218-L220 PolarHBondContact OD1-N 3Å; D218-F221 HydrophobicContact CB-CD2 3.63Å; D218-F221 HydrophobicContact CB-CE2 3.72Å; D218-F221 PolarHBondContact O-N 3.5Å
219	S	79.6	Confident	78.8	Confident	61 Å²	61	64.5 Å²	64.5	43%	0.427	34%	0.34	S	S	.	.	H	α-helix	trans	-65.4	-22.7	176.9	56.4	0	0	0	0	112	F221 Q222 H223	S219-F221 VanDerWaalsContact C-N 3.31Å; S219-F221 PolarHBondContact O-N 2.98Å; S219-Q222 WeakPolarHBondContact O-CB 3.2Å; S219-Q222 PolarHBondContact O-N 3.46Å; S219-H223 PolarHBondContact O-CE1 3.26Å; S219-H223 PolarHBondContact O-ND1 3.45Å
220	L	80.6	Confident	76.1	Confident	16 Å²	16	65.6 Å²	65.6	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-51.1	-49.1	170.4	-172.3	110.2	0	0	0	111.8	F196 L199 L202 L205 D218 Q222 H223 L238	F196-L220 HydrophobicContact CB-CB 4.05Å; F196-L220 HydrophobicContact CB-CD1 4.18Å; F196-L220 HydrophobicContact CB-CD2 3.99Å; F196-L220 HydrophobicContact CB-CG 4.27Å; F196-L220 HydrophobicContact CG-CD2 4.4Å; L199-L220 HydrophobicContact CB-CD1 4.4Å; L202-L220 HydrophobicContact CB-CD1 4.13Å; L202-L220 HydrophobicContact CD2-CD1 4.01Å; L202-L220 HydrophobicContact CD2-CD2 4.08Å; L205-L220 HydrophobicContact CD2-CD2 4.38Å; D218-L220 HydrophobicContact CB-CB 4.38Å; D218-L220 PolarHBondContact O-N 2.93Å; D218-L220 WeakPolarHBondContact OD1-CB 3.29Å; D218-L220 PolarHBondContact OD1-N 3Å; L220-Q222 VanDerWaalsContact C-N 3.25Å; L220-Q222 PolarHBondContact O-N 2.94Å; L220-H223 WeakPolarHBondContact O-CB 3.4Å; L220-H223 PolarHBondContact O-N 3.33Å; L220-L238 HydrophobicContact CD1-CD2 4.37Å; L220-L238 HydrophobicContact CD2-CD2 3.62Å; L220-L238 HydrophobicContact CG-CD2 3.6Å; L220-L238 WeakPolarHBondContact O-CD2 3.38Å
221	F	80.5	Confident	73.9	Confident	3 Å²	3	76 Å²	76	1%	0.013	40%	0.397	C	S	.	.	H	α-helix	trans	-68.7	-19	-174.6	-60.9	-66.4	0	0	0	114.3	F196 L205 P216 D218 S219 H223 A224 V240 W255 L259	F196-F221 AromaticContact CD2-CE2 3.94Å; F196-F221 HydrophobicContact CD2-CE2 3.94Å; F196-F221 AromaticContact CD2-CZ 3.7Å; F196-F221 HydrophobicContact CD2-CZ 3.7Å; F196-F221 HydrophobicContact CE2-CE2 4.37Å; F196-F221 AromaticContact CE2-CZ 3.83Å; F196-F221 HydrophobicContact CE2-CZ 3.83Å; L205-F221 HydrophobicContact CD2-CE1 4.09Å; L205-F221 HydrophobicContact CD2-CZ 4.3Å; P216-F221 WeakPolarHBondContact O-CE2 3.17Å; D218-F221 HydrophobicContact CB-CD2 3.63Å; D218-F221 HydrophobicContact CB-CE2 3.72Å; D218-F221 PolarHBondContact O-N 3.5Å; S219-F221 VanDerWaalsContact C-N 3.31Å; S219-F221 PolarHBondContact O-N 2.98Å; F221-H223 PolarHBondContact O-N 2.99Å; F221-A224 WeakPolarHBondContact O-CB 3.42Å; F221-A224 PolarHBondContact O-N 3.3Å; F221-A224 VanDerWaalsContact O-N 3.1Å; F221-V240 HydrophobicContact CD1-CG1 4.28Å; F221-V240 HydrophobicContact CD1-CG2 4.01Å; F221-V240 HydrophobicContact CE1-CG1 3.89Å; F221-V240 HydrophobicContact CE1-CG2 4.1Å; F221-W255 HydrophobicContact CB-CH2 3.99Å; F221-W255 HydrophobicContact CB-CZ3 3.64Å; F221-W255 AromaticContact CD2-CH2 3.44Å; F221-W255 HydrophobicContact CD2-CH2 3.44Å; F221-W255 VanDerWaalsContact CD2-CH2 3.44Å; F221-W255 HydrophobicContact CD2-CZ2 4.42Å; F221-W255 AromaticContact CD2-CZ3 3.92Å; F221-W255 HydrophobicContact CD2-CZ3 3.92Å; F221-W255 HydrophobicContact CE2-CH2 4.06Å; F221-W255 AromaticContact CG-CH2 3.77Å; F221-W255 HydrophobicContact CG-CH2 3.77Å; F221-W255 AromaticContact CG-CZ3 3.98Å; F221-W255 HydrophobicContact CG-CZ3 3.98Å; F221-L259 HydrophobicContact CB-CD1 4.3Å
222	Q	74.4	Confident	71.8	Confident	129 Å²	129	72.7 Å²	72.7	60%	0.603	41%	0.407	S	S	*	.	H	α-helix	trans	-64.3	-29.7	172.8	-60	-179.2	-2.9	0	0	111.5	S219 L220 A224 Q225	S219-Q222 WeakPolarHBondContact O-CB 3.2Å; S219-Q222 PolarHBondContact O-N 3.46Å; L220-Q222 VanDerWaalsContact C-N 3.25Å; L220-Q222 PolarHBondContact O-N 2.94Å; Q222-A224 VanDerWaalsContact C-N 3.28Å; Q222-A224 PolarHBondContact O-N 2.9Å; Q222-Q225 WeakPolarHBondContact O-CG 3.13Å
223	H	70.6	Confident	69.2	Low	123 Å²	123	75.2 Å²	75.2	57%	0.569	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.2	176.5	-55.3	86.6	0	0	0	113.3	S219 L220 F221	S219-H223 PolarHBondContact O-CE1 3.26Å; S219-H223 PolarHBondContact O-ND1 3.45Å; L220-H223 WeakPolarHBondContact O-CB 3.4Å; L220-H223 PolarHBondContact O-N 3.33Å; F221-H223 PolarHBondContact O-N 2.99Å
224	A	65.9	Low	67.1	Low	2 Å²	2	77.3 Å²	77.3	2%	0.017	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	10	174.8	0	0	0	0	0	113.3	F221 Q222 L238 V240 R261	F221-A224 WeakPolarHBondContact O-CB 3.42Å; F221-A224 PolarHBondContact O-N 3.3Å; F221-A224 VanDerWaalsContact O-N 3.1Å; Q222-A224 VanDerWaalsContact C-N 3.28Å; Q222-A224 PolarHBondContact O-N 2.9Å; A224-L238 HydrophobicContact CB-CD2 4.03Å; A224-L238 HydrophobicContact CB-CG 4.1Å; A224-V240 HydrophobicContact CB-CG2 3.88Å; A224-R261 PolarHBondContact O-NH1 2.97Å
225	Q	64.4	Low	65.2	Low	59 Å²	59	78.6 Å²	78.6	28%	0.276	46%	0.457	S	S	.	.			trans	-77.3	134.7	169.9	-68.3	-176.8	-4.9	0	0	110.8	Q222 L227 L259	Q222-Q225 WeakPolarHBondContact O-CG 3.13Å; Q225-L227 PolarHBondContact O-N 2.79Å; Q225-L259 HydrophobicContact CG-CB 4.17Å; Q225-L259 HydrophobicContact CG-CD2 3.92Å; Q225-L259 VanDerWaalsContact NE2-CD2 3.29Å
226	V	57.5	Low	63.4	Low	48 Å²	48	81.2 Å²	81.2	29%	0.291	48%	0.475	S	S	.	.			trans	-86.7	95.8	168.4	-177.1	0	0	0	0	107.9	S228 T260	V226-S228 VanDerWaalsContact C-N 3.28Å; V226-S228 PolarHBondContact O-N 3.18Å; V226-S228 VanDerWaalsContact O-N 3.08Å; V226-T260 PolarHBondContact N-O 3.47Å; V226-T260 PolarHBondContact O-OG1 3.34Å
227	L	51.9	Low	62.3	Low	124 Å²	124	84.6 Å²	84.6	65%	0.649	50%	0.499	S	S	*	.			trans	-82.4	72.5	174.7	-87.3	160.8	0	0	0	110.7	Q225 D229 S233	Q225-L227 PolarHBondContact O-N 2.79Å; L227-D229 PolarHBondContact O-N 2.73Å; L227-S233 PolarHBondContact O-OG 3.04Å
228	S	50	Low	62	Low	104 Å²	104	80.3 Å²	80.3	73%	0.727	47%	0.471	S	S	*	.			trans	-76.9	42	-176.4	51.4	0	0	0	0	114.6	V226	V226-S228 VanDerWaalsContact C-N 3.28Å; V226-S228 PolarHBondContact O-N 3.18Å; V226-S228 VanDerWaalsContact O-N 3.08Å
229	D	44.3	Very low	62.1	Low	163 Å²	163	82 Å²	82	87%	0.872	49%	0.486	S	S	*	.			trans	-146.8	54.1	178.7	-127.2	-20.5	0	0	0	115.4	L227	L227-D229 PolarHBondContact O-N 2.73Å
230	A	40.9	Very low	62.5	Low	67 Å²	67	79.3 Å²	79.3	55%	0.554	47%	0.467	S	S	*	.	S	Bend	trans	-153	142.2	157.5	0	0	0	0	0	112.3	G232 S233	A230-G232 VanDerWaalsContact C-N 3.3Å; A230-G232 PolarHBondContact O-N 3.08Å; A230-S233 PolarHBondContact O-N 3.14Å; A230-S233 PolarHBondContact O-OG 3.35Å
231	K	52.4	Low	63.1	Low	228 Å²	228	79.5 Å²	79.5	99%	0.991	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	89.1	163.6	-89.8	179.8	173	171.8	0	109.5
232	G	51.9	Low	63.7	Low	73 Å²	73	79.5 Å²	79.5	75%	0.753	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.4	14.4	176.7	0	0	0	0	0	115.7	A230	A230-G232 VanDerWaalsContact C-N 3.3Å; A230-G232 PolarHBondContact O-N 3.08Å
233	S	43.6	Very low	64.5	Low	57 Å²	57	73.7 Å²	73.7	40%	0.399	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-66.4	143.3	161.3	44.1	0	0	0	0	110.1	L227 A230	L227-S233 PolarHBondContact O-OG 3.04Å; A230-S233 PolarHBondContact O-N 3.14Å; A230-S233 PolarHBondContact O-OG 3.35Å
234	N	50.2	Low	65.7	Low	151 Å²	151	70.6 Å²	70.6	81%	0.807	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-66.2	147.8	175	-69.1	-31.4	0	0	0	110.1
235	P	53	Low	67.1	Low	114 Å²	114	70.9 Å²	70.9	74%	0.74	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-59.5	152.7	168.4	28.2	-35.1	0	0	0	110.4	S237	P235-S237 PolarHBondContact O-N 2.99Å
236	S	55.4	Low	68.7	Low	58 Å²	58	70.5 Å²	70.5	41%	0.406	45%	0.45	S	S	.	.			trans	-52.2	113.9	179.1	50.1	0	0	0	0	110.9	L238	S236-L238 PolarHBondContact O-N 3.22Å; S236-L238 VanDerWaalsContact O-N 3.15Å
237	S	67.6	Low	70.5	Confident	89 Å²	89	68.3 Å²	68.3	62%	0.622	44%	0.437	S	S	*	.	S	Bend	trans	-73.5	-5.4	-170.4	-169.3	0	0	0	0	114.1	P235	P235-S237 PolarHBondContact O-N 2.99Å
238	L	82.4	Confident	72.7	Confident	7 Å²	7	63.7 Å²	63.7	4%	0.037	41%	0.412	C	S	.	.			trans	-139.7	117.8	-173.3	167	61.8	0	0	0	109.9	L202 V203 L220 A224 S236 V240	L202-L238 HydrophobicContact CG-CD1 4.32Å; V203-L238 WeakPolarHBondContact O-CA 3.46Å; L220-L238 HydrophobicContact CD1-CD2 4.37Å; L220-L238 HydrophobicContact CD2-CD2 3.62Å; L220-L238 HydrophobicContact CG-CD2 3.6Å; L220-L238 WeakPolarHBondContact O-CD2 3.38Å; A224-L238 HydrophobicContact CB-CD2 4.03Å; A224-L238 HydrophobicContact CB-CG 4.1Å; S236-L238 PolarHBondContact O-N 3.22Å; S236-L238 VanDerWaalsContact O-N 3.15Å; L238-V240 HydrophobicContact CD1-CG2 3.95Å; L238-V240 HydrophobicContact CD2-CG2 4.01Å; L238-V240 HydrophobicContact CG-CG2 3.77Å
239	A	86.7	Confident	74.9	Confident	46 Å²	46	58.8 Å²	58.8	38%	0.38	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.9	169.3	0	0	0	0	0	109.8	V203 R204 L205	V203-A239 PolarHBondContact O-N 2.66Å; R204-A239 WeakPolarHBondContact CA-O 3.29Å; L205-A239 PolarHBondContact N-O 3.49Å
240	V	89.1	Confident	77.3	Confident	4 Å²	4	51 Å²	51	2%	0.024	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.7	169.8	-175.9	0	0	0	0	108.3	L205 M207 F221 A224 L238 F242 R261	L205-V240 HydrophobicContact CB-CG2 4.36Å; L205-V240 HydrophobicContact CD2-CG1 4.49Å; L205-V240 WeakPolarHBondContact O-CA 3.48Å; M207-V240 HydrophobicContact CE-CG1 3.97Å; F221-V240 HydrophobicContact CD1-CG1 4.28Å; F221-V240 HydrophobicContact CD1-CG2 4.01Å; F221-V240 HydrophobicContact CE1-CG1 3.89Å; F221-V240 HydrophobicContact CE1-CG2 4.1Å; A224-V240 HydrophobicContact CB-CG2 3.88Å; L238-V240 HydrophobicContact CD1-CG2 3.95Å; L238-V240 HydrophobicContact CD2-CG2 4.01Å; L238-V240 HydrophobicContact CG-CG2 3.77Å; V240-F242 HydrophobicContact CG1-CD1 4.31Å; V240-R261 PolarHBondContact O-NH2 2.94Å
241	S	91.6	Very high	79.9	Confident	21 Å²	21	49.7 Å²	49.7	15%	0.147	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.9	171.1	-66.6	0	0	0	0	110.4	L205 M207 D264	L205-S241 PolarHBondContact O-N 2.88Å; L205-S241 VanDerWaalsContact O-N 3.1Å; M207-S241 PolarHBondContact N-O 2.82Å; S241-D264 PolarHBondContact OG-OD2 3.08Å
242	F	92.9	Very high	81.9	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.009	29%	0.286	C	S	.	.			trans	-138.8	12.4	-175.5	62.8	-88.4	0	0	0	113.8	M207 L215 V240 N245 L247 L256 E266 W280	M207-F242 HydrophobicContact CE-CB 4.39Å; L215-F242 HydrophobicContact CD1-CB 4.15Å; L215-F242 HydrophobicContact CD1-CD1 4.09Å; L215-F242 HydrophobicContact CD1-CD2 4.16Å; L215-F242 HydrophobicContact CD1-CG 3.87Å; V240-F242 HydrophobicContact CG1-CD1 4.31Å; F242-N245 PolarHBondContact O-ND2 2.74Å; F242-L247 HydrophobicContact CD2-CD1 4.2Å; F242-L247 HydrophobicContact CD2-CD2 4.48Å; F242-L247 HydrophobicContact CE2-CD1 4.01Å; F242-L256 HydrophobicContact CE1-CD1 4.11Å; F242-L256 HydrophobicContact CE1-CD2 4.37Å; F242-L256 HydrophobicContact CE2-CD2 3.81Å; F242-L256 HydrophobicContact CZ-CD1 4.06Å; F242-L256 HydrophobicContact CZ-CD2 3.71Å; F242-L256 HydrophobicContact CZ-CG 4.11Å; F242-E266 HydrophobicContact CD2-CB 4.49Å; F242-E266 HydrophobicContact CD2-CG 3.94Å; F242-E266 WeakPolarHBondContact CE1-OE1 3.21Å; F242-E266 HydrophobicContact CE2-CB 4.05Å; F242-E266 HydrophobicContact CE2-CG 3.66Å; F242-E266 HydrophobicContact CZ-CG 4.06Å; F242-E266 WeakPolarHBondContact CZ-OE1 3.49Å; F242-W280 HydrophobicContact CE1-CZ2 4.43Å; F242-W280 AromaticContact CZ-CZ2 3.9Å; F242-W280 HydrophobicContact CZ-CZ2 3.9Å
243	G	92.8	Very high	83.9	Confident	7 Å²	7	37.6 Å²	37.6	7%	0.072	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	158.6	173.6	0	0	0	0	0	114	T208 S209 N245	T208-G243 CarbonylContact C-O 3.57Å; T208-G243 WeakPolarHBondContact CA-O 3.46Å; T208-G243 WeakPolarHBondContact CB-O 3.48Å; S209-G243 PolarHBondContact N-O 3.03Å; G243-N245 VanDerWaalsContact C-N 3.26Å; G243-N245 PolarHBondContact O-N 2.91Å
244	G	94.2	Very high	86.3	Confident	58 Å²	58	36.5 Å²	36.5	60%	0.598	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	11.5	-176.5	0	0	0	0	0	115.3
245	N	97	Very high	88.3	Confident	8 Å²	8	32 Å²	32	4%	0.043	21%	0.211	C	C	.	.	S	Bend	trans	-92.2	149.1	171.6	-81.3	-81.1	0	0	0	111.8	M207 N210 R211 L212 F242 G243 L247	M207-N245 PolarHBondContact O-ND2 2.94Å; N210-N245 WeakPolarHBondContact CA-OD1 3.5Å; N210-N245 WeakPolarHBondContact CB-OD1 3.31Å; N210-N245 PolarHBondContact N-OD1 3.28Å; N210-N245 PolarHBondContact O-OD1 2.85Å; R211-N245 PolarHBondContact N-OD1 3.27Å; L212-N245 HydrophobicContact CB-CB 4.29Å; L212-N245 VanDerWaalsContact CB-OD1 3.29Å; L212-N245 WeakPolarHBondContact CB-OD1 3.36Å; L212-N245 WeakPolarHBondContact CG-OD1 3.22Å; L212-N245 PolarHBondContact N-OD1 3.36Å; F242-N245 PolarHBondContact O-ND2 2.74Å; G243-N245 VanDerWaalsContact C-N 3.26Å; G243-N245 PolarHBondContact O-N 2.91Å; N245-L247 HydrophobicContact CB-CD2 4.06Å; N245-L247 HydrophobicContact CB-CG 4.35Å; N245-L247 PolarHBondContact O-N 2.91Å
246	P	96.6	Very high	90.1	Very high	51 Å²	51	26.8 Å²	26.8	33%	0.331	18%	0.176	S	C	.	.			trans	-80.3	67.1	177.6	35.7	-37.1	0	0	0	111.2	N210 A269	N210-P246 WeakPolarHBondContact O-CD 3.2Å; P246-A269 HydrophobicContact CB-CB 3.86Å
247	L	96.6	Very high	91.8	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	137.7	-172.3	-61.3	175.7	0	0	0	112.3	F242 N245 L253 E266 A269 S270 F279	F242-L247 HydrophobicContact CD2-CD1 4.2Å; F242-L247 HydrophobicContact CD2-CD2 4.48Å; F242-L247 HydrophobicContact CE2-CD1 4.01Å; N245-L247 HydrophobicContact CB-CD2 4.06Å; N245-L247 HydrophobicContact CB-CG 4.35Å; N245-L247 PolarHBondContact O-N 2.91Å; L247-L253 HydrophobicContact CB-CD1 4.2Å; L247-L253 HydrophobicContact CD2-CD1 4.3Å; L247-E266 HydrophobicContact CD1-CB 4.2Å; L247-A269 PolarHBondContact O-N 2.94Å; L247-S270 PolarHBondContact O-N 3.48Å; L247-F279 HydrophobicContact CD1-CD2 3.97Å; L247-F279 HydrophobicContact CD1-CG 4.39Å
248	H	96.6	Very high	92.9	Very high	28 Å²	28	29.1 Å²	29.1	13%	0.13	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	98.1	173.6	179.5	59.2	0	0	0	108.1	Q213 N250 L253 S270 D319	Q213-H248 HydrophobicContact CB-CB 3.99Å; Q213-H248 PolarHBondContact O-N 3.18Å; H248-N250 VanDerWaalsContact C-N 3.26Å; H248-N250 PolarHBondContact CD2-ND2 2.99Å; H248-N250 VanDerWaalsContact CD2-ND2 3.32Å; H248-N250 PolarHBondContact NE2-ND2 3.38Å; H248-N250 VanDerWaalsContact NE2-ND2 3.18Å; H248-N250 PolarHBondContact O-N 3.06Å; H248-L253 WeakPolarHBondContact O-CD1 3.43Å; H248-S270 WeakPolarHBondContact CA-O 3.4Å; H248-S270 WeakPolarHBondContact CA-OG 3.42Å; H248-S270 PolarHBondContact ND1-OG 3.4Å; H248-D319 IonicContact CE1-OD1 3.65Å; H248-D319 IonicContact CE1-OD2 3.84Å; H248-D319 PolarHBondContact CE1-OD2 3.2Å; H248-D319 IonicContact NE2-OD1 2.86Å; H248-D319 PolarHBondContact NE2-OD1 3.4Å; H248-D319 VanDerWaalsContact NE2-OD1 3.12Å; H248-D319 IonicContact NE2-OD2 3.81Å
249	C	96.7	Very high	93.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.			trans	-88.8	56.9	-163.2	-66.7	0	0	0	0	112.7	C268 S270 L274 F287	C249-C268 HydrophobicContact CB-CB 3.82Å; C249-C268 WeakPolarHBondContact CB-SG 3.22Å; C249-C268 WeakPolarHBondContact SG-CB 3.27Å; C249-C268 CovalentContact SG-SG 2.02Å; C249-C268 PolarHBondContact SG-SG 2.81Å; C249-S270 PolarHBondContact N-O 2.88Å; C249-L274 HydrophobicContact CB-CD1 3.75Å; C249-L274 VanDerWaalsContact O-CD1 3.25Å; C249-L274 WeakPolarHBondContact O-CD1 3.37Å; C249-F287 HydrophobicContact CB-CD1 4.1Å; C249-F287 HydrophobicContact CB-CE1 3.66Å; C249-F287 HydrophobicContact CB-CZ 4.5Å; C249-F287 WeakPolarHBondContact O-CD1 3.42Å
250	N	95.8	Very high	92.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-93.7	-173.3	172.7	73.7	4.4	0	0	0	111.4	H248 E252 L253 F287 I288 D319	H248-N250 VanDerWaalsContact C-N 3.26Å; H248-N250 PolarHBondContact CD2-ND2 2.99Å; H248-N250 VanDerWaalsContact CD2-ND2 3.32Å; H248-N250 PolarHBondContact NE2-ND2 3.38Å; H248-N250 VanDerWaalsContact NE2-ND2 3.18Å; H248-N250 PolarHBondContact O-N 3.06Å; N250-E252 PolarHBondContact ND2-OE2 3.37Å; N250-E252 PolarHBondContact O-N 2.87Å; N250-E252 WeakPolarHBondContact OD1-CB 3.3Å; N250-E252 WeakPolarHBondContact OD1-CG 3.33Å; N250-E252 PolarHBondContact OD1-N 2.67Å; N250-L253 PolarHBondContact O-N 3.47Å; N250-L253 VanDerWaalsContact O-N 3.08Å; N250-F287 WeakPolarHBondContact O-CD1 3.49Å; N250-I288 WeakPolarHBondContact CA-O 3.21Å; N250-I288 VanDerWaalsContact CB-O 3.27Å; N250-I288 WeakPolarHBondContact CB-O 3.23Å; N250-D319 WeakPolarHBondContact CB-OD1 3.49Å; N250-D319 PolarHBondContact ND2-OD1 2.92Å
251	C	95	Very high	92.4	Very high	39 Å²	39	33.2 Å²	33.2	26%	0.264	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-58.2	-19.4	178.5	76.8	0	0	0	0	115.1	L253 L254 F287 I288 C289	C251-L253 PolarHBondContact O-N 3.35Å; C251-L254 VanDerWaalsContact O-CB 3.28Å; C251-L254 WeakPolarHBondContact O-CB 3.37Å; C251-L254 PolarHBondContact O-N 2.97Å; C251-L254 VanDerWaalsContact O-N 3.17Å; C251-F287 VanDerWaalsContact CA-O 3.26Å; C251-F287 WeakPolarHBondContact CA-O 3.46Å; C251-F287 WeakPolarHBondContact CB-O 3.26Å; C251-F287 PolarHBondContact N-O 2.69Å; C251-I288 PolarHBondContact N-O 3.2Å; C251-C289 VanDerWaalsContact CA-SG 3.54Å; C251-C289 HydrophobicContact CB-CB 3.82Å; C251-C289 WeakPolarHBondContact CB-SG 3.13Å; C251-C289 PolarHBondContact N-SG 2.84Å; C251-C289 WeakPolarHBondContact SG-CB 3.44Å; C251-C289 CovalentContact SG-SG 2.03Å; C251-C289 PolarHBondContact SG-SG 3.12Å
252	E	94.4	Very high	91.7	Very high	48 Å²	48	39.4 Å²	39.4	22%	0.224	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-68.6	-18.3	176.4	-57.3	-172.6	94.3	0	0	112.9	K214 N250 W255 P320 A368	K214-E252 HydrophobicContact CD-CB 4.33Å; K214-E252 WeakPolarHBondContact CD-OE2 3.42Å; K214-E252 WeakPolarHBondContact CE-OE2 3.19Å; K214-E252 IonicContact NZ-OE1 3.89Å; K214-E252 PolarHBondContact NZ-OE1 2.83Å; K214-E252 IonicContact NZ-OE2 2.87Å; K214-E252 PolarHBondContact NZ-OE2 3.21Å; N250-E252 PolarHBondContact ND2-OE2 3.37Å; N250-E252 PolarHBondContact O-N 2.87Å; N250-E252 WeakPolarHBondContact OD1-CB 3.3Å; N250-E252 WeakPolarHBondContact OD1-CG 3.33Å; N250-E252 PolarHBondContact OD1-N 2.67Å; E252-W255 PolarHBondContact O-NE1 3.26Å; E252-P320 HydrophobicContact CG-CG 4.24Å; E252-P320 VanDerWaalsContact OE2-CB 3.26Å; E252-P320 WeakPolarHBondContact OE2-CB 3.21Å; E252-P320 VanDerWaalsContact OE2-CG 3.29Å; E252-P320 WeakPolarHBondContact OE2-CG 3.3Å; E252-A368 HydrophobicContact CG-CB 3.94Å
253	L	94.6	Very high	91	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-100.6	0.5	173	-67.6	-174.9	0	0	0	113.9	K214 L247 H248 N250 C251 W255 L256 R257 F279 F287	K214-L253 HydrophobicContact CB-CD2 4.08Å; K214-L253 HydrophobicContact CB-CG 4.42Å; L247-L253 HydrophobicContact CB-CD1 4.2Å; L247-L253 HydrophobicContact CD2-CD1 4.3Å; H248-L253 WeakPolarHBondContact O-CD1 3.43Å; N250-L253 PolarHBondContact O-N 3.47Å; N250-L253 VanDerWaalsContact O-N 3.08Å; C251-L253 PolarHBondContact O-N 3.35Å; L253-W255 VanDerWaalsContact C-N 3.25Å; L253-W255 PolarHBondContact O-N 2.9Å; L253-L256 HydrophobicContact CD2-CD2 4Å; L253-L256 WeakPolarHBondContact O-CB 3.42Å; L253-L256 PolarHBondContact O-N 3Å; L253-R257 PolarHBondContact O-N 2.96Å; L253-F279 HydrophobicContact CB-CE2 3.95Å; L253-F279 HydrophobicContact CB-CZ 4.22Å; L253-F279 HydrophobicContact CD1-CE2 3.93Å; L253-F287 HydrophobicContact CB-CD1 4.39Å; L253-F287 HydrophobicContact CB-CE1 4.36Å
254	L	93.8	Very high	90.4	Very high	33 Å²	33	46.6 Å²	46.6	17%	0.173	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-32.4	179	178.9	58.5	0	0	0	112.9	C251 L256 R257 R258 E284 F287	C251-L254 VanDerWaalsContact O-CB 3.28Å; C251-L254 WeakPolarHBondContact O-CB 3.37Å; C251-L254 PolarHBondContact O-N 2.97Å; C251-L254 VanDerWaalsContact O-N 3.17Å; L254-L256 VanDerWaalsContact C-N 3.31Å; L254-L256 PolarHBondContact O-N 2.96Å; L254-R257 PolarHBondContact O-N 3.47Å; L254-R258 WeakPolarHBondContact O-CG 3.11Å; L254-R258 PolarHBondContact O-N 2.87Å; L254-E284 HydrophobicContact CD1-CB 3.81Å; L254-E284 HydrophobicContact CD1-CG 3.9Å; L254-F287 HydrophobicContact CB-CB 4.27Å; L254-F287 HydrophobicContact CD1-CB 4.32Å
255	W	91.3	Very high	90.2	Very high	58 Å²	58	48.8 Å²	48.8	22%	0.22	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-33.4	174.9	73.1	-93.2	0	0	0	112.4	L215 P216 P217 F221 E252 L253 L259	L215-W255 HydrophobicContact CB-CZ2 4.02Å; P216-W255 WeakPolarHBondContact O-CZ2 3.26Å; P217-W255 HydrophobicContact CB-CD2 3.94Å; P217-W255 HydrophobicContact CB-CG 4.05Å; P217-W255 HydrophobicContact CB-CZ2 4.47Å; F221-W255 HydrophobicContact CB-CH2 3.99Å; F221-W255 HydrophobicContact CB-CZ3 3.64Å; F221-W255 AromaticContact CD2-CH2 3.44Å; F221-W255 HydrophobicContact CD2-CH2 3.44Å; F221-W255 VanDerWaalsContact CD2-CH2 3.44Å; F221-W255 HydrophobicContact CD2-CZ2 4.42Å; F221-W255 AromaticContact CD2-CZ3 3.92Å; F221-W255 HydrophobicContact CD2-CZ3 3.92Å; F221-W255 HydrophobicContact CE2-CH2 4.06Å; F221-W255 AromaticContact CG-CH2 3.77Å; F221-W255 HydrophobicContact CG-CH2 3.77Å; F221-W255 AromaticContact CG-CZ3 3.98Å; F221-W255 HydrophobicContact CG-CZ3 3.98Å; E252-W255 PolarHBondContact O-NE1 3.26Å; L253-W255 VanDerWaalsContact C-N 3.25Å; L253-W255 PolarHBondContact O-N 2.9Å; W255-L259 HydrophobicContact CZ3-CD1 4.23Å
256	L	91.2	Very high	90.1	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-76.5	-40.7	178.8	177.8	64.8	0	0	0	110.2	L215 F242 L253 L254 R258 L259 F279 W280	L215-L256 HydrophobicContact CD1-CD2 3.95Å; F242-L256 HydrophobicContact CE1-CD1 4.11Å; F242-L256 HydrophobicContact CE1-CD2 4.37Å; F242-L256 HydrophobicContact CE2-CD2 3.81Å; F242-L256 HydrophobicContact CZ-CD1 4.06Å; F242-L256 HydrophobicContact CZ-CD2 3.71Å; F242-L256 HydrophobicContact CZ-CG 4.11Å; L253-L256 HydrophobicContact CD2-CD2 4Å; L253-L256 WeakPolarHBondContact O-CB 3.42Å; L253-L256 PolarHBondContact O-N 3Å; L254-L256 VanDerWaalsContact C-N 3.31Å; L254-L256 PolarHBondContact O-N 2.96Å; L256-R258 PolarHBondContact O-N 3.02Å; L256-L259 HydrophobicContact CD1-CD1 3.9Å; L256-L259 WeakPolarHBondContact O-CB 3.48Å; L256-L259 WeakPolarHBondContact O-CG 3.36Å; L256-L259 PolarHBondContact O-N 3.14Å; L256-L259 VanDerWaalsContact O-N 3.1Å; L256-F279 HydrophobicContact CB-CZ 4.11Å; L256-F279 HydrophobicContact CD2-CE1 4.2Å; L256-F279 HydrophobicContact CD2-CE2 4.5Å; L256-F279 HydrophobicContact CD2-CZ 3.83Å; L256-F279 HydrophobicContact CG-CE1 3.96Å; L256-F279 HydrophobicContact CG-CZ 3.84Å; L256-W280 WeakPolarHBondContact O-CH2 3.47Å; L256-W280 WeakPolarHBondContact O-CZ3 3.29Å
257	R	91.5	Very high	90	Very high	53 Å²	53	48.1 Å²	48.1	20%	0.2	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-26.4	175	179.7	59.2	-172.6	80	0.2	113.2	L253 L254 L259 F279 W280 I282 E284 F287	L253-R257 PolarHBondContact O-N 2.96Å; L254-R257 PolarHBondContact O-N 3.47Å; R257-L259 VanDerWaalsContact C-N 3.33Å; R257-F279 HydrophobicContact CB-CE1 4.18Å; R257-F279 HydrophobicContact CB-CZ 4.01Å; R257-W280 PolarHBondContact NH2-O 3.39Å; R257-W280 VanDerWaalsContact NH2-O 3.11Å; R257-I282 VanDerWaalsContact CZ-O 3.25Å; R257-I282 PolarHBondContact NE-O 3.39Å; R257-I282 PolarHBondContact NH2-O 2.79Å; R257-E284 HydrophobicContact CG-CG 4.19Å; R257-F287 HydrophobicContact CB-CD2 4.42Å; R257-F287 HydrophobicContact CB-CE2 4.04Å; R257-F287 HydrophobicContact CB-CZ 4.12Å; R257-F287 HydrophobicContact CG-CD2 4.04Å; R257-F287 HydrophobicContact CG-CE2 3.52Å; R257-F287 HydrophobicContact CG-CZ 3.99Å
258	R	90.7	Very high	90	Very high	143 Å²	143	48.1 Å²	48.1	54%	0.54	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.4	176.8	-79.2	172.4	173.3	156.6	10.7	115.3	L254 L256 E284	L254-R258 WeakPolarHBondContact O-CG 3.11Å; L254-R258 PolarHBondContact O-N 2.87Å; L256-R258 PolarHBondContact O-N 3.02Å; R258-E284 WeakPolarHBondContact CG-OE1 3.4Å; R258-E284 IonicContact CZ-OE2 3.61Å; R258-E284 IonicContact NE-OE1 3.53Å; R258-E284 IonicContact NE-OE2 2.72Å; R258-E284 PolarHBondContact NE-OE2 2.94Å; R258-E284 IonicContact NH2-OE2 3.77Å; R258-E284 PolarHBondContact NH2-OE2 3.12Å
259	L	86.4	Confident	90	Very high	14 Å²	14	48.6 Å²	48.6	7%	0.073	24%	0.243	C	C	.	.	S	Bend	trans	-81.2	140.1	177.1	-53.1	-173.5	0	0	0	111.1	F221 Q225 W255 L256 R257 R261 W280	F221-L259 HydrophobicContact CB-CD1 4.3Å; Q225-L259 HydrophobicContact CG-CB 4.17Å; Q225-L259 HydrophobicContact CG-CD2 3.92Å; Q225-L259 VanDerWaalsContact NE2-CD2 3.29Å; W255-L259 HydrophobicContact CZ3-CD1 4.23Å; L256-L259 HydrophobicContact CD1-CD1 3.9Å; L256-L259 WeakPolarHBondContact O-CB 3.48Å; L256-L259 WeakPolarHBondContact O-CG 3.36Å; L256-L259 PolarHBondContact O-N 3.14Å; L256-L259 VanDerWaalsContact O-N 3.1Å; R257-L259 VanDerWaalsContact C-N 3.33Å; L259-R261 HydrophobicContact CB-CG 4.14Å; L259-R261 PolarHBondContact O-N 2.8Å; L259-W280 WeakPolarHBondContact O-CZ3 3.39Å
260	T	80.3	Confident	90	Very high	77 Å²	77	50.2 Å²	50.2	47%	0.472	25%	0.254	S	S	.	.			trans	-81.8	110.6	168.7	52.4	0	0	0	0	110.1	V226	V226-T260 PolarHBondContact N-O 3.47Å; V226-T260 PolarHBondContact O-OG1 3.34Å
261	R	79.7	Confident	90	Very high	53 Å²	53	51.2 Å²	51.2	20%	0.2	26%	0.26	C	S	.	.			trans	-141.8	164	-174.9	-73.1	-173.9	50.5	76	5.3	111.7	A224 V240 L259 W280	A224-R261 PolarHBondContact O-NH1 2.97Å; V240-R261 PolarHBondContact O-NH2 2.94Å; L259-R261 HydrophobicContact CB-CG 4.14Å; L259-R261 PolarHBondContact O-N 2.8Å; R261-W280 HydrophobicContact CB-CH2 4.07Å; R261-W280 HydrophobicContact CB-CZ2 3.97Å; R261-W280 HydrophobicContact CG-CH2 4.27Å; R261-W280 HydrophobicContact CG-CZ2 4.44Å
262	E	78	Confident	89.9	Confident	150 Å²	150	57.6 Å²	57.6	70%	0.701	29%	0.286	S	S	*	.			trans	-76.3	152.4	166.6	-60.4	-176	173.2	0	0	109.8	D264	E262-D264 PolarHBondContact O-N 3.4Å
263	D	76.9	Confident	89.9	Confident	84 Å²	84	60.9 Å²	60.9	45%	0.449	30%	0.301	S	S	.	.			trans	-88.4	101.7	-177.1	-171.8	-11.9	0	0	0	109.9	L265	D263-L265 PolarHBondContact O-N 2.88Å; D263-L265 WeakPolarHBondContact OD1-CA 3.3Å; D263-L265 PolarHBondContact OD1-N 3.01Å
264	D	81.4	Confident	89.9	Confident	77 Å²	77	60.9 Å²	60.9	41%	0.412	30%	0.301	S	S	.	.			trans	-83.9	16.7	177.2	-90.5	-19.4	0	0	0	111.2	S241 E262 E266	S241-D264 PolarHBondContact OG-OD2 3.08Å; E262-D264 PolarHBondContact O-N 3.4Å; D264-E266 VanDerWaalsContact C-N 3.28Å; D264-E266 WeakPolarHBondContact CA-OE2 3.48Å; D264-E266 HydrophobicContact CB-CG 4.29Å; D264-E266 PolarHBondContact N-OE2 2.97Å; D264-E266 PolarHBondContact O-N 2.63Å
265	L	90	Very high	90	Very high	104 Å²	104	63.9 Å²	63.9	55%	0.545	32%	0.315	S	S	.	.			trans	61	30.7	-175.1	-54.1	175.9	0	0	0	113.6	D263 T267 Y278	D263-L265 PolarHBondContact O-N 2.88Å; D263-L265 WeakPolarHBondContact OD1-CA 3.3Å; D263-L265 PolarHBondContact OD1-N 3.01Å; L265-T267 PolarHBondContact O-N 2.92Å; L265-T267 PolarHBondContact O-OG1 3.29Å; L265-T267 VanDerWaalsContact O-OG1 3.05Å; L265-Y278 HydrophobicContact CB-CD1 4.39Å; L265-Y278 HydrophobicContact CB-CE1 4.12Å; L265-Y278 HydrophobicContact CD2-CD1 4.33Å; L265-Y278 HydrophobicContact CD2-CE1 3.97Å
266	E	94.1	Very high	90.1	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.34	C	S	.	.			trans	-59.3	136.8	174.3	-51.2	102.3	122.1	0	0	110.2	F242 L247 D264 Y278 F279 W280	F242-E266 HydrophobicContact CD2-CB 4.49Å; F242-E266 HydrophobicContact CD2-CG 3.94Å; F242-E266 WeakPolarHBondContact CE1-OE1 3.21Å; F242-E266 HydrophobicContact CE2-CB 4.05Å; F242-E266 HydrophobicContact CE2-CG 3.66Å; F242-E266 HydrophobicContact CZ-CG 4.06Å; F242-E266 WeakPolarHBondContact CZ-OE1 3.49Å; L247-E266 HydrophobicContact CD1-CB 4.2Å; D264-E266 VanDerWaalsContact C-N 3.28Å; D264-E266 WeakPolarHBondContact CA-OE2 3.48Å; D264-E266 HydrophobicContact CB-CG 4.29Å; D264-E266 PolarHBondContact N-OE2 2.97Å; D264-E266 PolarHBondContact O-N 2.63Å; E266-Y278 CarbonylContact O-C 3.5Å; E266-Y278 WeakPolarHBondContact O-CA 3.24Å; E266-F279 HydrophobicContact CB-CB 4Å; E266-F279 WeakPolarHBondContact O-CB 3.48Å; E266-F279 PolarHBondContact O-N 3.26Å; E266-W280 PolarHBondContact OE1-NE1 3.15Å; E266-W280 VanDerWaalsContact OE2-CD1 3.29Å; E266-W280 PolarHBondContact OE2-NE1 3.46Å
267	T	95.1	Very high	90.3	Very high	45 Å²	45	70.7 Å²	70.7	28%	0.276	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-131.4	137.8	-167.6	-59.2	0	0	0	0	110.7	L265 K277	L265-T267 PolarHBondContact O-N 2.92Å; L265-T267 PolarHBondContact O-OG1 3.29Å; L265-T267 VanDerWaalsContact O-OG1 3.05Å; T267-K277 WeakPolarHBondContact CA-O 3.35Å
268	C	96.8	Very high	90.4	Very high	1 Å²	1	73.7 Å²	73.7	1%	0.007	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	127.8	175.8	-64.7	0	0	0	0	111	C249 L274 M275 D276 K277 I282	C249-C268 HydrophobicContact CB-CB 3.82Å; C249-C268 WeakPolarHBondContact CB-SG 3.22Å; C249-C268 WeakPolarHBondContact SG-CB 3.27Å; C249-C268 CovalentContact SG-SG 2.02Å; C249-C268 PolarHBondContact SG-SG 2.81Å; C268-L274 HydrophobicContact CB-CB 4.18Å; C268-L274 VanDerWaalsContact CB-O 3.31Å; C268-L274 WeakPolarHBondContact CB-O 3.5Å; C268-M275 CarbonylContact O-C 3.51Å; C268-M275 WeakPolarHBondContact O-CA 3.46Å; C268-D276 PolarHBondContact O-N 3.29Å; C268-K277 PolarHBondContact N-O 2.94Å; C268-I282 HydrophobicContact CB-CD1 4.27Å; C268-I282 WeakPolarHBondContact SG-CD1 3.41Å
269	A	96.9	Very high	90.7	Very high	39 Å²	39	66.9 Å²	66.9	32%	0.322	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-21.4	174.4	0	0	0	0	0	112.6	P246 L247 M275	P246-A269 HydrophobicContact CB-CB 3.86Å; L247-A269 PolarHBondContact O-N 2.94Å; A269-M275 WeakPolarHBondContact O-CE 3.18Å
270	S	95.6	Very high	91	Very high	34 Å²	34	67.7 Å²	67.7	24%	0.238	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	165.4	177	60.2	0	0	0	0	110.2	L247 H248 C249	L247-S270 PolarHBondContact O-N 3.48Å; H248-S270 WeakPolarHBondContact CA-O 3.4Å; H248-S270 WeakPolarHBondContact CA-OG 3.42Å; H248-S270 PolarHBondContact ND1-OG 3.4Å; C249-S270 PolarHBondContact N-O 2.88Å
271	P	95.6	Very high	91.6	Very high	21 Å²	21	67.8 Å²	67.8	14%	0.136	35%	0.345	C	S	.	.	S	Bend	cis	-61.6	168.7	-10.1	27.7	-37.1	0	0	0	113.3	H273 L274 M275	P271-H273 WeakPolarHBondContact CG-CE1 3.41Å; P271-H273 PolarHBondContact O-N 2.72Å; P271-L274 HydrophobicContact CG-CD1 4.33Å; P271-L274 HydrophobicContact CG-CG 4.32Å; P271-L274 PolarHBondContact O-N 2.83Å; P271-M275 PolarHBondContact O-N 3.02Å; P271-M275 VanDerWaalsContact O-N 3.16Å
272	E	94	Very high	92.3	Very high	173 Å²	173	65.3 Å²	65.3	81%	0.808	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-31	-172.1	-66.8	-167.2	160.4	0	0	114.3	L274 M275	E272-L274 VanDerWaalsContact C-N 3.3Å; E272-L274 PolarHBondContact O-N 3.45Å; E272-M275 WeakPolarHBondContact O-CB 3.3Å
273	H	93.9	Very high	93	Very high	117 Å²	117	64 Å²	64	54%	0.542	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.9	180	64.5	-94.5	0	0	0	114.2	P271 K277	P271-H273 WeakPolarHBondContact CG-CE1 3.41Å; P271-H273 PolarHBondContact O-N 2.72Å; H273-K277 VanDerWaalsContact O-CE 3.24Å; H273-K277 WeakPolarHBondContact O-CE 3.33Å; H273-K277 PolarHBondContact O-NZ 2.72Å
274	L	95.5	Very high	93.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-2.9	173.5	-56.2	-175	0	0	0	113.2	C249 C268 P271 E272 D276 K277 I282 E286	C249-L274 HydrophobicContact CB-CD1 3.75Å; C249-L274 VanDerWaalsContact O-CD1 3.25Å; C249-L274 WeakPolarHBondContact O-CD1 3.37Å; C268-L274 HydrophobicContact CB-CB 4.18Å; C268-L274 VanDerWaalsContact CB-O 3.31Å; C268-L274 WeakPolarHBondContact CB-O 3.5Å; P271-L274 HydrophobicContact CG-CD1 4.33Å; P271-L274 HydrophobicContact CG-CG 4.32Å; P271-L274 PolarHBondContact O-N 2.83Å; E272-L274 VanDerWaalsContact C-N 3.3Å; E272-L274 PolarHBondContact O-N 3.45Å; L274-D276 PolarHBondContact O-N 2.97Å; L274-K277 HydrophobicContact CD2-CD 3.95Å; L274-K277 VanDerWaalsContact O-CB 3.32Å; L274-K277 WeakPolarHBondContact O-CB 3.07Å; L274-K277 PolarHBondContact O-N 3.29Å; L274-K277 VanDerWaalsContact O-N 3.14Å; L274-I282 HydrophobicContact CB-CD1 4.36Å; L274-I282 HydrophobicContact CD1-CD1 4.4Å; L274-I282 HydrophobicContact CD1-CG2 4.42Å; L274-I282 HydrophobicContact CD2-CD1 4.4Å; L274-I282 HydrophobicContact CD2-CG2 4.12Å; L274-E286 HydrophobicContact CD2-CB 4.19Å; L274-E286 WeakPolarHBondContact CD2-OE2 3.32Å
275	M	94.9	Very high	94.5	Very high	95 Å²	95	66.2 Å²	66.2	47%	0.468	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	137	179	-171.4	179.9	-70.4	0	0	111.8	C268 A269 P271 E272 K277	C268-M275 CarbonylContact O-C 3.51Å; C268-M275 WeakPolarHBondContact O-CA 3.46Å; A269-M275 WeakPolarHBondContact O-CE 3.18Å; P271-M275 PolarHBondContact O-N 3.02Å; P271-M275 VanDerWaalsContact O-N 3.16Å; E272-M275 WeakPolarHBondContact O-CB 3.3Å; M275-K277 PolarHBondContact O-N 2.89Å; M275-K277 VanDerWaalsContact O-N 3.17Å
276	D	93.9	Very high	94.8	Very high	137 Å²	137	64 Å²	64	73%	0.733	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	11.6	-177	-61	-26.4	0	0	0	115.4	C268 L274	C268-D276 PolarHBondContact O-N 3.29Å; L274-D276 PolarHBondContact O-N 2.97Å
277	K	94.8	Very high	94.9	Very high	68 Å²	68	64.3 Å²	64.3	30%	0.296	32%	0.323	S	S	.	.			trans	-85.6	143.5	169.3	-63.1	-172.9	-172.4	178.5	0	111.6	T267 C268 H273 L274 M275 I282 E286	T267-K277 WeakPolarHBondContact CA-O 3.35Å; C268-K277 PolarHBondContact N-O 2.94Å; H273-K277 VanDerWaalsContact O-CE 3.24Å; H273-K277 WeakPolarHBondContact O-CE 3.33Å; H273-K277 PolarHBondContact O-NZ 2.72Å; L274-K277 HydrophobicContact CD2-CD 3.95Å; L274-K277 VanDerWaalsContact O-CB 3.32Å; L274-K277 WeakPolarHBondContact O-CB 3.07Å; L274-K277 PolarHBondContact O-N 3.29Å; L274-K277 VanDerWaalsContact O-N 3.14Å; M275-K277 PolarHBondContact O-N 2.89Å; M275-K277 VanDerWaalsContact O-N 3.17Å; K277-I282 HydrophobicContact CB-CD1 3.83Å; K277-I282 HydrophobicContact CB-CG1 3.91Å; K277-I282 HydrophobicContact CD-CD1 4.22Å; K277-I282 HydrophobicContact CD-CG1 3.84Å; K277-E286 IonicContact NZ-OE2 3.77Å; K277-E286 PolarHBondContact NZ-OE2 2.77Å
278	Y	94.9	Very high	94.9	Very high	115 Å²	115	67.2 Å²	67.2	45%	0.451	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-69.7	130.7	169.8	-62	-65.7	0	0	0	111	L265 E266 W280 S281	L265-Y278 HydrophobicContact CB-CD1 4.39Å; L265-Y278 HydrophobicContact CB-CE1 4.12Å; L265-Y278 HydrophobicContact CD2-CD1 4.33Å; L265-Y278 HydrophobicContact CD2-CE1 3.97Å; E266-Y278 CarbonylContact O-C 3.5Å; E266-Y278 WeakPolarHBondContact O-CA 3.24Å; Y278-W280 PolarHBondContact O-N 3.07Å; Y278-S281 WeakPolarHBondContact O-CB 3.13Å; Y278-S281 PolarHBondContact O-N 2.74Å; Y278-S281 PolarHBondContact O-OG 3.23Å
279	F	95.1	Very high	94.8	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-53	-48.5	-172.2	-179.1	-97.1	0	0	0	113.1	L247 L253 L256 R257 E266 S281 I282 F287	L247-F279 HydrophobicContact CD1-CD2 3.97Å; L247-F279 HydrophobicContact CD1-CG 4.39Å; L253-F279 HydrophobicContact CB-CE2 3.95Å; L253-F279 HydrophobicContact CB-CZ 4.22Å; L253-F279 HydrophobicContact CD1-CE2 3.93Å; L256-F279 HydrophobicContact CB-CZ 4.11Å; L256-F279 HydrophobicContact CD2-CE1 4.2Å; L256-F279 HydrophobicContact CD2-CE2 4.5Å; L256-F279 HydrophobicContact CD2-CZ 3.83Å; L256-F279 HydrophobicContact CG-CE1 3.96Å; L256-F279 HydrophobicContact CG-CZ 3.84Å; R257-F279 HydrophobicContact CB-CE1 4.18Å; R257-F279 HydrophobicContact CB-CZ 4.01Å; E266-F279 HydrophobicContact CB-CB 4Å; E266-F279 WeakPolarHBondContact O-CB 3.48Å; E266-F279 PolarHBondContact O-N 3.26Å; F279-S281 VanDerWaalsContact C-N 3.29Å; F279-S281 PolarHBondContact O-N 2.92Å; F279-I282 PolarHBondContact O-N 2.84Å; F279-F287 HydrophobicContact CD2-CE1 4.07Å; F279-F287 HydrophobicContact CD2-CZ 4.05Å; F279-F287 AromaticContact CE2-CE1 3.56Å; F279-F287 HydrophobicContact CE2-CE1 3.56Å; F279-F287 AromaticContact CE2-CZ 3.82Å; F279-F287 HydrophobicContact CE2-CZ 3.82Å; F279-F287 HydrophobicContact CZ-CE1 4.2Å; F279-F287 HydrophobicContact CZ-CZ 4.26Å
280	W	92.8	Very high	94.8	Very high	32 Å²	32	72.2 Å²	72.2	12%	0.121	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-72.4	-19.6	-179.2	-56.2	109.5	0	0	0	113.9	F242 L256 R257 L259 R261 E266 Y278	F242-W280 HydrophobicContact CE1-CZ2 4.43Å; F242-W280 AromaticContact CZ-CZ2 3.9Å; F242-W280 HydrophobicContact CZ-CZ2 3.9Å; L256-W280 WeakPolarHBondContact O-CH2 3.47Å; L256-W280 WeakPolarHBondContact O-CZ3 3.29Å; R257-W280 PolarHBondContact NH2-O 3.39Å; R257-W280 VanDerWaalsContact NH2-O 3.11Å; L259-W280 WeakPolarHBondContact O-CZ3 3.39Å; R261-W280 HydrophobicContact CB-CH2 4.07Å; R261-W280 HydrophobicContact CB-CZ2 3.97Å; R261-W280 HydrophobicContact CG-CH2 4.27Å; R261-W280 HydrophobicContact CG-CZ2 4.44Å; E266-W280 PolarHBondContact OE1-NE1 3.15Å; E266-W280 VanDerWaalsContact OE2-CD1 3.29Å; E266-W280 PolarHBondContact OE2-NE1 3.46Å; Y278-W280 PolarHBondContact O-N 3.07Å
281	S	92.9	Very high	94.8	Very high	78 Å²	78	74.7 Å²	74.7	55%	0.545	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-78.8	-18.2	179.2	76.3	0	0	0	0	114	Y278 F279	Y278-S281 WeakPolarHBondContact O-CB 3.13Å; Y278-S281 PolarHBondContact O-N 2.74Å; Y278-S281 PolarHBondContact O-OG 3.23Å; F279-S281 VanDerWaalsContact C-N 3.29Å; F279-S281 PolarHBondContact O-N 2.92Å
282	I	94.3	Very high	94.9	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.005	37%	0.367	C	S	.	.	S	Bend	trans	-77.5	144.7	-179.2	-59.9	165.1	0	0	0	109.3	R257 C268 L274 K277 F279 E286 F287	R257-I282 VanDerWaalsContact CZ-O 3.25Å; R257-I282 PolarHBondContact NE-O 3.39Å; R257-I282 PolarHBondContact NH2-O 2.79Å; C268-I282 HydrophobicContact CB-CD1 4.27Å; C268-I282 WeakPolarHBondContact SG-CD1 3.41Å; L274-I282 HydrophobicContact CB-CD1 4.36Å; L274-I282 HydrophobicContact CD1-CD1 4.4Å; L274-I282 HydrophobicContact CD1-CG2 4.42Å; L274-I282 HydrophobicContact CD2-CD1 4.4Å; L274-I282 HydrophobicContact CD2-CG2 4.12Å; K277-I282 HydrophobicContact CB-CD1 3.83Å; K277-I282 HydrophobicContact CB-CG1 3.91Å; K277-I282 HydrophobicContact CD-CD1 4.22Å; K277-I282 HydrophobicContact CD-CG1 3.84Å; F279-I282 PolarHBondContact O-N 2.84Å; I282-E286 HydrophobicContact CG2-CB 3.55Å; I282-E286 HydrophobicContact CG2-CG 4.28Å; I282-F287 HydrophobicContact CB-CE2 3.76Å; I282-F287 HydrophobicContact CB-CZ 4.1Å; I282-F287 HydrophobicContact CD1-CZ 4.33Å; I282-F287 HydrophobicContact CG2-CD2 4Å; I282-F287 HydrophobicContact CG2-CE2 3.45Å; I282-F287 VanDerWaalsContact CG2-CE2 3.45Å; I282-F287 HydrophobicContact CG2-CZ 4.04Å
283	Q	94.6	Very high	95	Very high	124 Å²	124	71.6 Å²	71.6	58%	0.579	36%	0.358	S	S	*	.			trans	-79.8	153.7	177.3	-58.1	-176.5	32.3	0	0	110.8	E285 E286 F287	Q283-E285 PolarHBondContact O-N 2.89Å; Q283-E286 PolarHBondContact N-OE1 2.92Å; Q283-E286 PolarHBondContact O-N 2.86Å; Q283-E286 VanDerWaalsContact O-N 3.11Å; Q283-F287 WeakPolarHBondContact O-CD2 3.29Å
284	E	94.8	Very high	95.1	Very high	64 Å²	64	67.1 Å²	67.1	30%	0.299	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-60.4	-32.3	-177.9	-78	-169.5	-151.6	0	0	112.4	L254 R257 R258 E286 F287	L254-E284 HydrophobicContact CD1-CB 3.81Å; L254-E284 HydrophobicContact CD1-CG 3.9Å; R257-E284 HydrophobicContact CG-CG 4.19Å; R258-E284 WeakPolarHBondContact CG-OE1 3.4Å; R258-E284 IonicContact CZ-OE2 3.61Å; R258-E284 IonicContact NE-OE1 3.53Å; R258-E284 IonicContact NE-OE2 2.72Å; R258-E284 PolarHBondContact NE-OE2 2.94Å; R258-E284 IonicContact NH2-OE2 3.77Å; R258-E284 PolarHBondContact NH2-OE2 3.12Å; E284-E286 PolarHBondContact O-N 2.69Å; E284-F287 PolarHBondContact O-N 3.07Å
285	E	94.1	Very high	95	Very high	143 Å²	143	69.9 Å²	69.9	67%	0.668	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-69.6	-15.7	-179.8	-61.4	75.8	-170.5	0	0	113.5	Q283	Q283-E285 PolarHBondContact O-N 2.89Å
286	E	95.5	Very high	94.7	Very high	57 Å²	57	72.2 Å²	72.2	27%	0.266	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-85.9	-14.9	175	-69.5	-177	-110.8	0	0	112.9	L274 K277 I282 Q283 E284 I288	L274-E286 HydrophobicContact CD2-CB 4.19Å; L274-E286 WeakPolarHBondContact CD2-OE2 3.32Å; K277-E286 IonicContact NZ-OE2 3.77Å; K277-E286 PolarHBondContact NZ-OE2 2.77Å; I282-E286 HydrophobicContact CG2-CB 3.55Å; I282-E286 HydrophobicContact CG2-CG 4.28Å; Q283-E286 PolarHBondContact N-OE1 2.92Å; Q283-E286 PolarHBondContact O-N 2.86Å; Q283-E286 VanDerWaalsContact O-N 3.11Å; E284-E286 PolarHBondContact O-N 2.69Å; E286-I288 VanDerWaalsContact C-N 3.26Å; E286-I288 PolarHBondContact O-N 3.07Å
287	F	96	Very high	94.6	Very high	7 Å²	7	70.1 Å²	70.1	3%	0.031	35%	0.348	C	S	.	.			trans	-81.5	68.8	177.8	-71.5	-94.5	0	0	0	111.4	C249 N250 C251 L253 L254 R257 F279 I282 Q283 E284	C249-F287 HydrophobicContact CB-CD1 4.1Å; C249-F287 HydrophobicContact CB-CE1 3.66Å; C249-F287 HydrophobicContact CB-CZ 4.5Å; C249-F287 WeakPolarHBondContact O-CD1 3.42Å; N250-F287 WeakPolarHBondContact O-CD1 3.49Å; C251-F287 VanDerWaalsContact CA-O 3.26Å; C251-F287 WeakPolarHBondContact CA-O 3.46Å; C251-F287 WeakPolarHBondContact CB-O 3.26Å; C251-F287 PolarHBondContact N-O 2.69Å; L253-F287 HydrophobicContact CB-CD1 4.39Å; L253-F287 HydrophobicContact CB-CE1 4.36Å; L254-F287 HydrophobicContact CB-CB 4.27Å; L254-F287 HydrophobicContact CD1-CB 4.32Å; R257-F287 HydrophobicContact CB-CD2 4.42Å; R257-F287 HydrophobicContact CB-CE2 4.04Å; R257-F287 HydrophobicContact CB-CZ 4.12Å; R257-F287 HydrophobicContact CG-CD2 4.04Å; R257-F287 HydrophobicContact CG-CE2 3.52Å; R257-F287 HydrophobicContact CG-CZ 3.99Å; F279-F287 HydrophobicContact CD2-CE1 4.07Å; F279-F287 HydrophobicContact CD2-CZ 4.05Å; F279-F287 AromaticContact CE2-CE1 3.56Å; F279-F287 HydrophobicContact CE2-CE1 3.56Å; F279-F287 AromaticContact CE2-CZ 3.82Å; F279-F287 HydrophobicContact CE2-CZ 3.82Å; F279-F287 HydrophobicContact CZ-CE1 4.2Å; F279-F287 HydrophobicContact CZ-CZ 4.26Å; I282-F287 HydrophobicContact CB-CE2 3.76Å; I282-F287 HydrophobicContact CB-CZ 4.1Å; I282-F287 HydrophobicContact CD1-CZ 4.33Å; I282-F287 HydrophobicContact CG2-CD2 4Å; I282-F287 HydrophobicContact CG2-CE2 3.45Å; I282-F287 VanDerWaalsContact CG2-CE2 3.45Å; I282-F287 HydrophobicContact CG2-CZ 4.04Å; Q283-F287 WeakPolarHBondContact O-CD2 3.29Å; E284-F287 PolarHBondContact O-N 3.07Å
288	I	95.2	Very high	94.5	Very high	105 Å²	105	72 Å²	72	54%	0.538	36%	0.359	S	S	.	.			trans	-87.6	155.9	-176.5	-59.9	172.2	0	0	0	110.6	N250 C251 E286	N250-I288 WeakPolarHBondContact CA-O 3.21Å; N250-I288 VanDerWaalsContact CB-O 3.27Å; N250-I288 WeakPolarHBondContact CB-O 3.23Å; C251-I288 PolarHBondContact N-O 3.2Å; E286-I288 VanDerWaalsContact C-N 3.26Å; E286-I288 PolarHBondContact O-N 3.07Å
289	C	96.4	Very high	94.2	Very high	18 Å²	18	67.2 Å²	67.2	12%	0.122	34%	0.343	C	S	.	.			trans	-126.4	149.4	165.5	-78.7	0	0	0	0	109	C251 D319 A369	C251-C289 VanDerWaalsContact CA-SG 3.54Å; C251-C289 HydrophobicContact CB-CB 3.82Å; C251-C289 WeakPolarHBondContact CB-SG 3.13Å; C251-C289 PolarHBondContact N-SG 2.84Å; C251-C289 WeakPolarHBondContact SG-CB 3.44Å; C251-C289 CovalentContact SG-SG 2.03Å; C251-C289 PolarHBondContact SG-SG 3.12Å; C289-D319 CarbonylContact C-O 3.36Å; C289-D319 WeakPolarHBondContact CA-O 3.29Å; C289-D319 WeakPolarHBondContact CB-O 3.35Å; C289-A369 HydrophobicContact CB-CB 3.7Å
290	E	95.8	Very high	93.8	Very high	127 Å²	127	70.8 Å²	70.8	59%	0.593	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.7	178.1	-61.3	-169	162.2	0	0	111	D319 N367	E290-D319 HydrophobicContact CB-CB 3.97Å; E290-D319 HydrophobicContact CG-CB 4.13Å; E290-D319 PolarHBondContact N-O 3.11Å; E290-D319 PolarHBondContact O-N 3.21Å; E290-D319 VanDerWaalsContact O-N 3.14Å; E290-D319 VanDerWaalsContact O-O 3.06Å; E290-N367 PolarHBondContact O-ND2 3.39Å
291	P	96.4	Very high	93.4	Very high	87 Å²	87	72.7 Å²	72.7	57%	0.565	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	154.7	-179.5	28.9	-35.6	0	0	0	112	L293 A369	P291-L293 PolarHBondContact O-N 2.88Å; P291-A369 HydrophobicContact CB-CB 4.23Å
292	P	97.2	Very high	93	Very high	12 Å²	12	72.7 Å²	72.7	8%	0.078	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	133.6	-171.4	28.2	-35	0	0	0	112.5	M317 P322 A365 N367 G370 A372	P292-M317 CarbonylContact C-O 3.58Å; P292-M317 WeakPolarHBondContact CA-O 3.35Å; P292-P322 HydrophobicContact CB-CB 3.84Å; P292-P322 HydrophobicContact CB-CG 4.21Å; P292-A365 HydrophobicContact CB-CB 4.05Å; P292-A365 WeakPolarHBondContact CG-O 3.27Å; P292-N367 WeakPolarHBondContact CD-OD1 3.49Å; P292-G370 WeakPolarHBondContact CD-O 3.13Å; P292-G370 WeakPolarHBondContact CG-O 3.22Å; P292-A372 HydrophobicContact CB-CB 4.33Å; P292-A372 HydrophobicContact CG-CB 3.97Å; P292-A372 WeakPolarHBondContact O-CB 3.34Å
293	L	96.3	Very high	92.7	Very high	116 Å²	116	79.9 Å²	79.9	61%	0.607	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.8	172.9	-179.7	63.1	0	0	0	110	P291 T295 A316 M317	P291-L293 PolarHBondContact O-N 2.88Å; L293-T295 HydrophobicContact CD2-CG2 4.49Å; L293-T295 HydrophobicContact CG-CG2 4.33Å; L293-T295 PolarHBondContact O-N 3.3Å; L293-A316 CarbonylContact O-C 3.52Å; L293-A316 WeakPolarHBondContact O-CA 3.39Å; L293-A316 WeakPolarHBondContact O-CB 3.19Å; L293-M317 PolarHBondContact N-O 3.31Å; L293-M317 PolarHBondContact O-N 2.89Å
294	I	95.5	Very high	92.4	Very high	24 Å²	24	74 Å²	74	12%	0.123	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	111.5	175.1	-61.3	171.6	0	0	0	108.9	H297 A316 A365 A372 A374	I294-H297 HydrophobicContact CG2-CB 4.11Å; I294-A316 HydrophobicContact CG1-CB 4.09Å; I294-A365 HydrophobicContact CD1-CB 4.14Å; I294-A365 HydrophobicContact CG1-CB 3.81Å; I294-A372 HydrophobicContact CD1-CB 4.28Å; I294-A372 HydrophobicContact CG1-CB 4.28Å; I294-A374 HydrophobicContact CB-CB 4.32Å; I294-A374 HydrophobicContact CD1-CB 3.65Å; I294-A374 HydrophobicContact CG2-CB 3.92Å
295	T	92.9	Very high	92.1	Very high	57 Å²	57	74 Å²	74	35%	0.35	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-22.2	-175	58.4	0	0	0	0	113.5	L293 K315 M317	L293-T295 HydrophobicContact CD2-CG2 4.49Å; L293-T295 HydrophobicContact CG-CG2 4.33Å; L293-T295 PolarHBondContact O-N 3.3Å; T295-K315 PolarHBondContact N-O 2.87Å; T295-K315 PolarHBondContact OG1-O 3.33Å; T295-M317 HydrophobicContact CG2-CB 4.49Å; T295-M317 HydrophobicContact CG2-CE 4.02Å; T295-M317 HydrophobicContact CG2-CG 3.98Å; T295-M317 HydrophobicContact CG2-SD 3.9Å
296	K	90	Very high	91.9	Very high	145 Å²	145	70.3 Å²	70.3	63%	0.63	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.2	172.8	-61.3	-169.4	176.8	-168.5	0	110	C314 K315	K296-C314 CarbonylContact O-C 3.49Å; K296-C314 VanDerWaalsContact O-CA 3.31Å; K296-C314 WeakPolarHBondContact O-CA 3.28Å; K296-K315 HydrophobicContact CB-CB 4.36Å; K296-K315 PolarHBondContact N-O 3.04Å; K296-K315 VanDerWaalsContact N-O 3.1Å; K296-K315 PolarHBondContact O-N 2.78Å
297	H	91.8	Very high	91.4	Very high	93 Å²	93	69.7 Å²	69.7	43%	0.431	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	106	173.4	52.2	-86.2	0	0	0	108	I294 K313 A374 V376	I294-H297 HydrophobicContact CG2-CB 4.11Å; H297-K313 WeakPolarHBondContact CA-O 3.31Å; H297-A374 HydrophobicContact CB-CB 3.99Å; H297-V376 HydrophobicContact CB-CG2 3.81Å
298	I	91.4	Very high	91.1	Very high	106 Å²	106	73.4 Å²	73.4	54%	0.544	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	146.6	-172.6	-164.5	164.4	0	0	0	112.6	K313	I298-K313 HydrophobicContact CG2-CB 4.23Å; I298-K313 PolarHBondContact N-O 3.47Å; I298-K313 PolarHBondContact O-N 2.86Å
299	S	89.9	Confident	90.9	Very high	16 Å²	16	70 Å²	70	11%	0.112	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	143.8	169	179.9	0	0	0	0	110.7	K301 V310 T311 L312	S299-K301 PolarHBondContact O-N 3.3Å; S299-K301 PolarHBondContact OG-N 3.01Å; S299-K301 VanDerWaalsContact OG-N 3.1Å; S299-K301 PolarHBondContact OG-O 2.88Å; S299-V310 VanDerWaalsContact OG-CG2 3.26Å; S299-V310 WeakPolarHBondContact OG-CG2 3.12Å; S299-T311 WeakPolarHBondContact CA-O 3.29Å; S299-L312 WeakPolarHBondContact OG-CD2 3.38Å
300	T	86.4	Confident	90.8	Very high	74 Å²	74	69.4 Å²	69.4	45%	0.454	37%	0.37	S	S	.	.	S	Bend	trans	-67.8	-18	169	53.3	0	0	0	0	113.4	T311	T300-T311 HydrophobicContact CG2-CG2 4.12Å; T300-T311 PolarHBondContact N-O 3.43Å; T300-T311 PolarHBondContact OG1-N 3.15Å; T300-T311 PolarHBondContact OG1-O 3.48Å
301	K	84.5	Confident	90.7	Very high	73 Å²	73	65 Å²	65	32%	0.317	35%	0.352	S	S	.	.			trans	-144.2	113.8	176.7	-68.2	178.1	-175	166.8	0	110	S299 Y303 V304 G309 V310	S299-K301 PolarHBondContact O-N 3.3Å; S299-K301 PolarHBondContact OG-N 3.01Å; S299-K301 VanDerWaalsContact OG-N 3.1Å; S299-K301 PolarHBondContact OG-O 2.88Å; K301-Y303 VanDerWaalsContact C-N 3.27Å; K301-V304 HydrophobicContact CB-CG2 3.7Å; K301-V304 HydrophobicContact CD-CG2 4.31Å; K301-G309 PolarHBondContact NZ-O 2.88Å; K301-V310 HydrophobicContact CB-CG2 4.12Å
302	P	83.3	Confident	90.6	Very high	77 Å²	77	60.9 Å²	60.9	50%	0.5	33%	0.325	S	S	.	.	S	Bend	trans	-73.5	-21.7	173.5	28.9	-33.5	0	0	0	112.6	N379	P302-N379 PolarHBondContact O-N 2.6Å
303	Y	88.6	Confident	90.5	Very high	153 Å²	153	64.7 Å²	64.7	60%	0.6	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.1	173.1	-60.6	-79.6	0	0	0	109.5	K301 N379	K301-Y303 VanDerWaalsContact C-N 3.27Å; Y303-N379 WeakPolarHBondContact CA-O 3.34Å; Y303-N379 HydrophobicContact CD1-CB 3.52Å; Y303-N379 HydrophobicContact CE1-CB 3.7Å
304	V	88.9	Confident	90.4	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.4	-176	-172	0	0	0	0	109.8	K301 Q308 V310 T353 I378 N379 M380 I381	K301-V304 HydrophobicContact CB-CG2 3.7Å; K301-V304 HydrophobicContact CD-CG2 4.31Å; V304-Q308 HydrophobicContact CG1-CB 3.94Å; V304-V310 HydrophobicContact CG1-CB 4.39Å; V304-V310 HydrophobicContact CG2-CB 3.85Å; V304-V310 HydrophobicContact CG2-CG1 4.32Å; V304-V310 HydrophobicContact CG2-CG2 3.81Å; V304-T353 HydrophobicContact CG1-CG2 3.97Å; V304-I378 HydrophobicContact CB-CG2 4.3Å; V304-I378 HydrophobicContact CG2-CG2 3.61Å; V304-N379 PolarHBondContact N-O 2.93Å; V304-M380 HydrophobicContact CB-CE 4.31Å; V304-M380 HydrophobicContact CB-SD 3.85Å; V304-M380 HydrophobicContact CG1-SD 4.35Å; V304-M380 CarbonylContact O-C 3.18Å; V304-M380 WeakPolarHBondContact O-CA 3.33Å; V304-I381 PolarHBondContact O-N 3.47Å
305	M	88.1	Confident	90.4	Very high	62 Å²	62	63.7 Å²	63.7	31%	0.305	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138	171.7	-68.2	-92.5	-72.7	0	0	109.9	G307 Q308 T353 I381 L383	M305-G307 PolarHBondContact O-N 3.16Å; M305-Q308 HydrophobicContact CB-CG 4.04Å; M305-Q308 WeakPolarHBondContact O-CB 3.38Å; M305-Q308 PolarHBondContact O-N 2.87Å; M305-T353 PolarHBondContact O-OG1 2.98Å; M305-I381 WeakPolarHBondContact CA-O 3.2Å; M305-I381 HydrophobicContact SD-CB 4.12Å; M305-I381 HydrophobicContact SD-CG2 3.69Å; M305-L383 HydrophobicContact CE-CD1 4.22Å
306	E	89.5	Confident	90.5	Very high	66 Å²	66	61.4 Å²	61.4	31%	0.308	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	134.3	176.5	-178.1	161.9	-127.7	0	0	111.8	Q308 L355 I381	E306-Q308 VanDerWaalsContact C-N 3.34Å; E306-L355 WeakPolarHBondContact OE1-CG 3.22Å; E306-L355 PolarHBondContact OE1-N 2.8Å; E306-I381 PolarHBondContact N-O 3.41Å
307	G	86.1	Confident	90.7	Very high	45 Å²	45	59.1 Å²	59.1	46%	0.464	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	-8.8	-174.8	0	0	0	0	0	115.6	M305 T353	M305-G307 PolarHBondContact O-N 3.16Å; G307-T353 PolarHBondContact N-O 2.72Å; G307-T353 PolarHBondContact N-OG1 3.3Å
308	Q	89.2	Confident	90.9	Very high	84 Å²	84	55.7 Å²	55.7	39%	0.393	30%	0.3	S	S	.	.			trans	-82.6	155.5	173.2	-68.4	-166.3	8.4	0	0	113	V304 M305 E306 T353	V304-Q308 HydrophobicContact CG1-CB 3.94Å; M305-Q308 HydrophobicContact CB-CG 4.04Å; M305-Q308 WeakPolarHBondContact O-CB 3.38Å; M305-Q308 PolarHBondContact O-N 2.87Å; E306-Q308 VanDerWaalsContact C-N 3.34Å; Q308-T353 VanDerWaalsContact O-CG2 3.3Å; Q308-T353 WeakPolarHBondContact O-CG2 3.41Å; Q308-T353 PolarHBondContact O-N 3.38Å; Q308-T353 PolarHBondContact O-OG1 3.3Å
309	G	91.3	Very high	91.1	Very high	35 Å²	35	51.8 Å²	51.8	36%	0.361	28%	0.28	S	S	.	.			trans	-77.5	148.9	168.5	0	0	0	0	0	114	K301 I350 L351	K301-G309 PolarHBondContact NZ-O 2.88Å; G309-I350 CarbonylContact C-O 3.55Å; G309-I350 WeakPolarHBondContact CA-O 3.46Å; G309-L351 WeakPolarHBondContact CA-O 3.35Å; G309-L351 PolarHBondContact N-O 3.02Å
310	V	93.4	Very high	91.4	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147.4	173.3	63.7	0	0	0	0	111.5	S299 K301 V304 L312 I350 T353 I378	S299-V310 VanDerWaalsContact OG-CG2 3.26Å; S299-V310 WeakPolarHBondContact OG-CG2 3.12Å; K301-V310 HydrophobicContact CB-CG2 4.12Å; V304-V310 HydrophobicContact CG1-CB 4.39Å; V304-V310 HydrophobicContact CG2-CB 3.85Å; V304-V310 HydrophobicContact CG2-CG1 4.32Å; V304-V310 HydrophobicContact CG2-CG2 3.81Å; V310-L312 HydrophobicContact CG2-CD2 4.34Å; V310-I350 HydrophobicContact CG1-CB 3.97Å; V310-I350 HydrophobicContact CG1-CD1 4.28Å; V310-I350 HydrophobicContact CG1-CG1 4.38Å; V310-I350 PolarHBondContact N-O 2.87Å; V310-I350 PolarHBondContact O-N 2.81Å; V310-T353 HydrophobicContact CG1-CG2 3.61Å; V310-I378 HydrophobicContact CG1-CD1 4.15Å
311	T	94.6	Very high	91.7	Very high	35 Å²	35	55 Å²	55	22%	0.215	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127	-176.2	-61.2	0	0	0	0	110	S299 T300 K313 T347 D349	S299-T311 WeakPolarHBondContact CA-O 3.29Å; T300-T311 HydrophobicContact CG2-CG2 4.12Å; T300-T311 PolarHBondContact N-O 3.43Å; T300-T311 PolarHBondContact OG1-N 3.15Å; T300-T311 PolarHBondContact OG1-O 3.48Å; T311-K313 HydrophobicContact CG2-CG 4.09Å; T311-T347 HydrophobicContact CG2-CG2 3.56Å; T311-D349 WeakPolarHBondContact CA-OD1 3.21Å; T311-D349 WeakPolarHBondContact CB-OD1 3.38Å; T311-D349 WeakPolarHBondContact CG2-OD1 3.3Å; T311-D349 PolarHBondContact OG1-OD1 3.06Å
312	L	94.5	Very high	92.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.8	177.6	-49.3	-177.8	0	0	0	109.7	S299 V310 W326 T347 L348 I350 F361 V376 I378	S299-L312 WeakPolarHBondContact OG-CD2 3.38Å; V310-L312 HydrophobicContact CG2-CD2 4.34Å; L312-W326 HydrophobicContact CB-CH2 3.52Å; L312-W326 HydrophobicContact CB-CZ2 3.67Å; L312-W326 HydrophobicContact CB-CZ3 4.13Å; L312-W326 HydrophobicContact CD1-CE3 4.31Å; L312-W326 HydrophobicContact CD1-CH2 4.25Å; L312-W326 HydrophobicContact CD1-CZ3 3.98Å; L312-T347 CarbonylContact O-C 3.49Å; L312-T347 WeakPolarHBondContact O-CA 3.41Å; L312-T347 WeakPolarHBondContact O-CG2 3.35Å; L312-L348 HydrophobicContact CB-CB 4.39Å; L312-L348 HydrophobicContact CD1-CD2 4.21Å; L312-L348 PolarHBondContact N-O 2.81Å; L312-L348 PolarHBondContact O-N 3.03Å; L312-I350 HydrophobicContact CD1-CD1 4.39Å; L312-F361 HydrophobicContact CD1-CB 3.82Å; L312-F361 HydrophobicContact CD1-CD1 3.86Å; L312-F361 HydrophobicContact CD1-CD2 4.14Å; L312-F361 HydrophobicContact CD1-CE1 4.47Å; L312-F361 HydrophobicContact CD1-CG 3.67Å; L312-V376 HydrophobicContact CD2-CG1 4.13Å; L312-I378 HydrophobicContact CD1-CD1 4.09Å; L312-I378 HydrophobicContact CD2-CD1 3.71Å; L312-I378 HydrophobicContact CD2-CG1 4.16Å; L312-I378 HydrophobicContact CG-CD1 4.38Å
313	K	94.4	Very high	92.8	Very high	92 Å²	92	51 Å²	51	40%	0.4	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	115.3	-179	-64.5	177.5	-178.3	175.1	0	109.2	H297 I298 T311 T347	H297-K313 WeakPolarHBondContact CA-O 3.31Å; I298-K313 HydrophobicContact CG2-CB 4.23Å; I298-K313 PolarHBondContact N-O 3.47Å; I298-K313 PolarHBondContact O-N 2.86Å; T311-K313 HydrophobicContact CG2-CG 4.09Å; K313-T347 HydrophobicContact CG-CG2 4.07Å
314	C	94.8	Very high	93	Very high	4 Å²	4	45 Å²	45	3%	0.027	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.6	169.6	-172.3	0	0	0	0	110.4	K296 I324 W326 C363	K296-C314 CarbonylContact O-C 3.49Å; K296-C314 VanDerWaalsContact O-CA 3.31Å; K296-C314 WeakPolarHBondContact O-CA 3.28Å; C314-I324 HydrophobicContact CB-CG2 4.33Å; C314-W326 HydrophobicContact CB-CH2 3.96Å; C314-W326 HydrophobicContact CB-CZ2 3.36Å; C314-C363 HydrophobicContact CB-CB 3.7Å; C314-C363 WeakPolarHBondContact CB-SG 3.49Å; C314-C363 WeakPolarHBondContact SG-CB 3.28Å; C314-C363 CovalentContact SG-SG 2.03Å; C314-C363 PolarHBondContact SG-SG 3.06Å
315	K	94.6	Very high	93.3	Very high	115 Å²	115	48.9 Å²	48.9	50%	0.5	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.5	171.7	-179.3	169.8	-178.5	171.7	0	110.2	T295 K296	T295-K315 PolarHBondContact N-O 2.87Å; T295-K315 PolarHBondContact OG1-O 3.33Å; K296-K315 HydrophobicContact CB-CB 4.36Å; K296-K315 PolarHBondContact N-O 3.04Å; K296-K315 VanDerWaalsContact N-O 3.1Å; K296-K315 PolarHBondContact O-N 2.78Å
316	A	95.3	Very high	93.6	Very high	9 Å²	9	46 Å²	46	7%	0.074	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	173.5	167.7	0	0	0	0	0	111.9	L293 I294 P322 I324 A365	L293-A316 CarbonylContact O-C 3.52Å; L293-A316 WeakPolarHBondContact O-CA 3.39Å; L293-A316 WeakPolarHBondContact O-CB 3.19Å; I294-A316 HydrophobicContact CG1-CB 4.09Å; A316-P322 HydrophobicContact CB-CB 4.49Å; A316-P322 HydrophobicContact CB-CG 3.6Å; A316-I324 HydrophobicContact CB-CD1 3.84Å; A316-A365 HydrophobicContact CB-CB 3.55Å
317	M	95	Very high	93.9	Very high	98 Å²	98	48.4 Å²	48.4	48%	0.483	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157.4	170.8	-59.2	-179.5	-171.8	0	0	107.9	P292 L293 T295	P292-M317 CarbonylContact C-O 3.58Å; P292-M317 WeakPolarHBondContact CA-O 3.35Å; L293-M317 PolarHBondContact N-O 3.31Å; L293-M317 PolarHBondContact O-N 2.89Å; T295-M317 HydrophobicContact CG2-CB 4.49Å; T295-M317 HydrophobicContact CG2-CE 4.02Å; T295-M317 HydrophobicContact CG2-CG 3.98Å; T295-M317 HydrophobicContact CG2-SD 3.9Å
318	G	95	Very high	94.2	Very high	20 Å²	20	47.8 Å²	47.8	21%	0.206	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	173.9	178.3	0	0	0	0	0	110.4	P320 D321	G318-P320 CarbonylContact C-O 3.54Å; G318-P320 CarbonylContact O-C 3.48Å; G318-P320 VanDerWaalsContact O-C 3.25Å; G318-D321 PolarHBondContact O-N 2.82Å
319	D	95.9	Very high	94.3	Very high	25 Å²	25	46.1 Å²	46.1	13%	0.134	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	114.1	176.9	-173.5	-34.3	0	0	0	108.4	H248 N250 C289 E290 N367	H248-D319 IonicContact CE1-OD1 3.65Å; H248-D319 IonicContact CE1-OD2 3.84Å; H248-D319 PolarHBondContact CE1-OD2 3.2Å; H248-D319 IonicContact NE2-OD1 2.86Å; H248-D319 PolarHBondContact NE2-OD1 3.4Å; H248-D319 VanDerWaalsContact NE2-OD1 3.12Å; H248-D319 IonicContact NE2-OD2 3.81Å; N250-D319 WeakPolarHBondContact CB-OD1 3.49Å; N250-D319 PolarHBondContact ND2-OD1 2.92Å; C289-D319 CarbonylContact C-O 3.36Å; C289-D319 WeakPolarHBondContact CA-O 3.29Å; C289-D319 WeakPolarHBondContact CB-O 3.35Å; E290-D319 HydrophobicContact CB-CB 3.97Å; E290-D319 HydrophobicContact CG-CB 4.13Å; E290-D319 PolarHBondContact N-O 3.11Å; E290-D319 PolarHBondContact O-N 3.21Å; E290-D319 VanDerWaalsContact O-N 3.14Å; E290-D319 VanDerWaalsContact O-O 3.06Å; D319-N367 PolarHBondContact O-ND2 2.83Å
320	P	95.6	Very high	94.1	Very high	11 Å²	11	49 Å²	49	7%	0.071	26%	0.255	C	S	.	.	S	Bend	cis	-71.1	168.1	-5.1	32.7	-38	0	0	0	112.2	E252 G318 N367 A368	E252-P320 HydrophobicContact CG-CG 4.24Å; E252-P320 VanDerWaalsContact OE2-CB 3.26Å; E252-P320 WeakPolarHBondContact OE2-CB 3.21Å; E252-P320 VanDerWaalsContact OE2-CG 3.29Å; E252-P320 WeakPolarHBondContact OE2-CG 3.3Å; G318-P320 CarbonylContact C-O 3.54Å; G318-P320 CarbonylContact O-C 3.48Å; G318-P320 VanDerWaalsContact O-C 3.25Å; P320-N367 HydrophobicContact CG-CB 4.11Å; P320-N367 WeakPolarHBondContact O-CB 3.41Å; P320-N367 PolarHBondContact O-ND2 2.54Å; P320-A368 HydrophobicContact CG-CB 4.18Å
321	D	93.7	Very high	93.8	Very high	147 Å²	147	51 Å²	51	79%	0.786	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-48.8	122.1	175.4	-96	-44.2	0	0	0	111.4	G318	G318-D321 PolarHBondContact O-N 2.82Å
322	P	95.4	Very high	93.6	Very high	17 Å²	17	55.5 Å²	55.5	11%	0.11	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-80.5	135	-170	29.9	-36.2	0	0	0	113.9	P292 A316 A365 S366 N367	P292-P322 HydrophobicContact CB-CB 3.84Å; P292-P322 HydrophobicContact CB-CG 4.21Å; A316-P322 HydrophobicContact CB-CB 4.49Å; A316-P322 HydrophobicContact CB-CG 3.6Å; P322-A365 HydrophobicContact CB-CB 4.37Å; P322-S366 WeakPolarHBondContact CA-O 3.32Å; P322-N367 HydrophobicContact CB-CB 4.11Å
323	A	94.3	Very high	93.5	Very high	47 Å²	47	59.3 Å²	59.3	39%	0.388	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.5	170.5	0	0	0	0	0	110.6	A365 S366	A323-A365 WeakPolarHBondContact O-CA 3.42Å; A323-S366 PolarHBondContact N-O 3.28Å; A323-S366 PolarHBondContact O-N 3.23Å
324	I	94.5	Very high	93.4	Very high	28 Å²	28	55.2 Å²	55.2	14%	0.144	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.6	179	-56.9	-59.7	0	0	0	110.3	C314 A316 A365	C314-I324 HydrophobicContact CB-CG2 4.33Å; A316-I324 HydrophobicContact CB-CD1 3.84Å; I324-A365 HydrophobicContact CD1-CB 3.7Å
325	H	94.1	Very high	93.1	Very high	82 Å²	82	60.8 Å²	60.8	38%	0.38	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.1	173.6	-58.3	-46.4	0	0	0	110.1	L333 V364	H325-L333 HydrophobicContact CB-CD1 4.18Å; H325-V364 PolarHBondContact N-O 3.24Å; H325-V364 PolarHBondContact O-N 2.84Å
326	W	95.1	Very high	93	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	148.1	178.1	-75	88.7	0	0	0	111.5	L312 C314 V334 G346 L348 F361 N362 C363 V376	L312-W326 HydrophobicContact CB-CH2 3.52Å; L312-W326 HydrophobicContact CB-CZ2 3.67Å; L312-W326 HydrophobicContact CB-CZ3 4.13Å; L312-W326 HydrophobicContact CD1-CE3 4.31Å; L312-W326 HydrophobicContact CD1-CH2 4.25Å; L312-W326 HydrophobicContact CD1-CZ3 3.98Å; C314-W326 HydrophobicContact CB-CH2 3.96Å; C314-W326 HydrophobicContact CB-CZ2 3.36Å; W326-V334 HydrophobicContact CB-CB 4.02Å; W326-V334 HydrophobicContact CB-CG2 3.77Å; W326-V334 WeakPolarHBondContact O-CG2 3.3Å; W326-V334 PolarHBondContact O-N 3.02Å; W326-G346 PolarHBondContact NE1-O 2.99Å; W326-L348 HydrophobicContact CB-CD2 3.68Å; W326-L348 HydrophobicContact CD2-CB 4.18Å; W326-L348 HydrophobicContact CD2-CD2 3.98Å; W326-L348 HydrophobicContact CE3-CD2 4.44Å; W326-L348 HydrophobicContact CG-CB 4Å; W326-L348 HydrophobicContact CG-CD2 3.67Å; W326-L348 HydrophobicContact CG-CG 4.49Å; W326-F361 HydrophobicContact CE3-CB 4.02Å; W326-F361 HydrophobicContact CZ3-CB 3.95Å; W326-N362 CarbonylContact C-O 3.5Å; W326-N362 WeakPolarHBondContact CA-O 3.39Å; W326-C363 HydrophobicContact CD2-CB 4.25Å; W326-C363 HydrophobicContact CE3-CB 4.02Å; W326-C363 HydrophobicContact CH2-CB 3.99Å; W326-C363 HydrophobicContact CZ2-CB 4.22Å; W326-C363 HydrophobicContact CZ3-CB 3.87Å; W326-V376 HydrophobicContact CH2-CB 4.41Å; W326-V376 HydrophobicContact CH2-CG2 3.93Å; W326-V376 HydrophobicContact CZ3-CB 4.27Å; W326-V376 HydrophobicContact CZ3-CG2 4.11Å
327	R	94.8	Very high	92.8	Very high	118 Å²	118	63.5 Å²	63.5	45%	0.445	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.7	168.9	-57.9	-177.1	-175.5	-173.8	3	110.9	K332 L333 F361 N362 V364	R327-K332 CarbonylContact C-O 3.56Å; R327-K332 WeakPolarHBondContact CA-O 3.18Å; R327-L333 HydrophobicContact CG-CD1 4.22Å; R327-F361 WeakPolarHBondContact O-CA 3.23Å; R327-N362 HydrophobicContact CB-CB 4.35Å; R327-N362 PolarHBondContact N-O 3.18Å; R327-N362 PolarHBondContact O-N 2.95Å; R327-V364 HydrophobicContact CG-CG2 4.26Å
328	F	91.9	Very high	92.5	Very high	32 Å²	32	64.3 Å²	64.3	14%	0.14	35%	0.354	C	S	.	.			trans	-63.1	163.3	170.8	-72.9	-72.2	0	0	0	111.4	D330 G331 K332 V334 T340 F361	F328-D330 VanDerWaalsContact CB-OD1 3.32Å; F328-D330 WeakPolarHBondContact CB-OD1 3.28Å; F328-D330 PolarHBondContact O-N 3.16Å; F328-D330 VanDerWaalsContact O-N 3.12Å; F328-G331 PolarHBondContact O-N 2.97Å; F328-K332 HydrophobicContact CD2-CB 4.36Å; F328-K332 PolarHBondContact N-O 2.77Å; F328-V334 HydrophobicContact CD1-CG2 4.27Å; F328-V334 HydrophobicContact CD2-CG2 3.72Å; F328-V334 HydrophobicContact CE1-CG2 4.21Å; F328-V334 HydrophobicContact CE2-CB 4.11Å; F328-V334 HydrophobicContact CE2-CG1 4.19Å; F328-V334 HydrophobicContact CE2-CG2 3.68Å; F328-V334 HydrophobicContact CG-CG2 4.02Å; F328-V334 HydrophobicContact CZ-CB 4.39Å; F328-V334 HydrophobicContact CZ-CG1 4.03Å; F328-V334 HydrophobicContact CZ-CG2 3.93Å; F328-T340 HydrophobicContact CE1-CG2 4.42Å; F328-T340 HydrophobicContact CZ-CG2 4.2Å; F328-F361 HydrophobicContact CD1-CD1 4.41Å; F328-F361 AromaticContact CD1-CE1 3.45Å; F328-F361 HydrophobicContact CD1-CE1 3.45Å; F328-F361 VanDerWaalsContact CD1-CE1 3.45Å; F328-F361 AromaticContact CD1-CZ 3.93Å; F328-F361 HydrophobicContact CD1-CZ 3.93Å; F328-F361 AromaticContact CE1-CE1 3.89Å; F328-F361 HydrophobicContact CE1-CE1 3.89Å; F328-F361 HydrophobicContact CE1-CZ 4.39Å; F328-F361 HydrophobicContact CG-CE1 4.35Å
329	P	91.3	Very high	92.3	Very high	48 Å²	48	65.9 Å²	65.9	31%	0.312	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.8	173.7	-26.3	35.5	0	0	0	114.8	G331 A360 F361	P329-G331 VanDerWaalsContact C-N 3.26Å; P329-G331 PolarHBondContact O-N 2.8Å; P329-A360 WeakPolarHBondContact CA-O 3.47Å; P329-F361 HydrophobicContact CG-CD2 3.99Å; P329-F361 HydrophobicContact CG-CE2 3.88Å; P329-F361 HydrophobicContact CG-CZ 4.35Å
330	D	88	Confident	92.1	Very high	97 Å²	97	64.7 Å²	64.7	52%	0.519	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	6.2	174.1	78.2	-9.7	0	0	0	114.1	F328 K332	F328-D330 VanDerWaalsContact CB-OD1 3.32Å; F328-D330 WeakPolarHBondContact CB-OD1 3.28Å; F328-D330 PolarHBondContact O-N 3.16Å; F328-D330 VanDerWaalsContact O-N 3.12Å; D330-K332 VanDerWaalsContact C-N 3.33Å; D330-K332 PolarHBondContact O-N 2.98Å; D330-K332 VanDerWaalsContact OD1-CB 3.32Å; D330-K332 WeakPolarHBondContact OD1-CB 3.36Å; D330-K332 WeakPolarHBondContact OD1-CG 3.12Å; D330-K332 PolarHBondContact OD1-N 3.27Å; D330-K332 IonicContact OD2-NZ 3.69Å; D330-K332 PolarHBondContact OD2-NZ 2.92Å
331	G	87.3	Confident	92	Very high	44 Å²	44	66.9 Å²	66.9	45%	0.454	36%	0.358	S	S	.	.	S	Bend	trans	83	-7.3	179	0	0	0	0	0	115.7	F328 P329	F328-G331 PolarHBondContact O-N 2.97Å; P329-G331 VanDerWaalsContact C-N 3.26Å; P329-G331 PolarHBondContact O-N 2.8Å
332	K	90.3	Very high	92	Very high	131 Å²	131	61.9 Å²	61.9	57%	0.57	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-71.7	147.2	179.4	-64.4	-170.1	-172.3	83.1	0	112	R327 F328 D330	R327-K332 CarbonylContact C-O 3.56Å; R327-K332 WeakPolarHBondContact CA-O 3.18Å; F328-K332 HydrophobicContact CD2-CB 4.36Å; F328-K332 PolarHBondContact N-O 2.77Å; D330-K332 VanDerWaalsContact C-N 3.33Å; D330-K332 PolarHBondContact O-N 2.98Å; D330-K332 VanDerWaalsContact OD1-CB 3.32Å; D330-K332 WeakPolarHBondContact OD1-CB 3.36Å; D330-K332 WeakPolarHBondContact OD1-CG 3.12Å; D330-K332 PolarHBondContact OD1-N 3.27Å; D330-K332 IonicContact OD2-NZ 3.69Å; D330-K332 PolarHBondContact OD2-NZ 2.92Å
333	L	92	Very high	91.8	Very high	79 Å²	79	65.7 Å²	65.7	41%	0.414	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-67.6	138.6	174.3	-161.2	69.9	0	0	0	110.6	H325 R327 H335	H325-L333 HydrophobicContact CB-CD1 4.18Å; R327-L333 HydrophobicContact CG-CD1 4.22Å; L333-H335 PolarHBondContact O-CD2 2.94Å
334	V	92.2	Very high	91.4	Very high	6 Å²	6	72 Å²	72	4%	0.036	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-82.7	135.2	175.1	-175	0	0	0	0	109.5	W326 F328 T340 L348	W326-V334 HydrophobicContact CB-CB 4.02Å; W326-V334 HydrophobicContact CB-CG2 3.77Å; W326-V334 WeakPolarHBondContact O-CG2 3.3Å; W326-V334 PolarHBondContact O-N 3.02Å; F328-V334 HydrophobicContact CD1-CG2 4.27Å; F328-V334 HydrophobicContact CD2-CG2 3.72Å; F328-V334 HydrophobicContact CE1-CG2 4.21Å; F328-V334 HydrophobicContact CE2-CB 4.11Å; F328-V334 HydrophobicContact CE2-CG1 4.19Å; F328-V334 HydrophobicContact CE2-CG2 3.68Å; F328-V334 HydrophobicContact CG-CG2 4.02Å; F328-V334 HydrophobicContact CZ-CB 4.39Å; F328-V334 HydrophobicContact CZ-CG1 4.03Å; F328-V334 HydrophobicContact CZ-CG2 3.93Å; V334-T340 HydrophobicContact CG1-CG2 4.45Å; V334-L348 HydrophobicContact CB-CD2 4.31Å; V334-L348 HydrophobicContact CG1-CD1 3.74Å; V334-L348 HydrophobicContact CG1-CD2 3.92Å; V334-L348 HydrophobicContact CG2-CD2 3.97Å
335	H	89.8	Confident	91.1	Very high	121 Å²	121	75.9 Å²	75.9	56%	0.56	39%	0.392	S	S	*	.			trans	-131	156.5	177.4	-65.5	-83	0	0	0	110.6	L333 N337 T340	L333-H335 PolarHBondContact O-CD2 2.94Å; H335-N337 PolarHBondContact O-N 3.28Å; H335-N337 PolarHBondContact O-ND2 3.14Å; H335-T340 PolarHBondContact O-OG1 2.96Å
336	N	91.7	Very high	90.9	Very high	103 Å²	103	72 Å²	72	55%	0.551	38%	0.375	S	S	*	.			trans	-67.4	127.6	177.4	-70.2	4.1	0	0	0	110.8	T340 L342	N336-T340 WeakPolarHBondContact CA-O 3.3Å; N336-L342 PolarHBondContact ND2-O 3.12Å; N336-L342 WeakPolarHBondContact OD1-CB 3.31Å; N336-L342 PolarHBondContact OD1-N 3.14Å
337	N	90.1	Very high	90.8	Very high	79 Å²	79	72.9 Å²	72.9	42%	0.422	38%	0.38	S	S	.	.	S	Bend	trans	-155.6	-172.1	179.9	62.1	66.8	0	0	0	109.9	H335 R339 T340	H335-N337 PolarHBondContact O-N 3.28Å; H335-N337 PolarHBondContact O-ND2 3.14Å; N337-R339 PolarHBondContact O-N 3.2Å; N337-R339 WeakPolarHBondContact OD1-CA 3.43Å; N337-R339 VanDerWaalsContact OD1-CB 3.26Å; N337-R339 WeakPolarHBondContact OD1-CB 3.36Å; N337-R339 PolarHBondContact OD1-N 3.03Å; N337-T340 PolarHBondContact N-O 2.91Å; N337-T340 PolarHBondContact ND2-OG1 3.17Å; N337-T340 PolarHBondContact OD1-N 3.41Å; N337-T340 VanDerWaalsContact OD1-N 3.14Å; N337-T340 PolarHBondContact OD1-OG1 2.89Å
338	S	88.7	Confident	90.8	Very high	114 Å²	114	67.2 Å²	67.2	80%	0.797	36%	0.359	S	S	*	.	S	Bend	trans	-63.5	-10.1	-179.5	52.4	0	0	0	0	115.4
339	R	91.4	Very high	90.9	Very high	54 Å²	54	67 Å²	67	20%	0.204	36%	0.359	C	S	.	.	S	Bend	trans	-119.6	-27.8	-174.2	-163.1	-178.7	77.6	95.5	-10.4	113.6	N337 I350 L351 I352 D357	N337-R339 PolarHBondContact O-N 3.2Å; N337-R339 WeakPolarHBondContact OD1-CA 3.43Å; N337-R339 VanDerWaalsContact OD1-CB 3.26Å; N337-R339 WeakPolarHBondContact OD1-CB 3.36Å; N337-R339 PolarHBondContact OD1-N 3.03Å; R339-I350 CarbonylContact O-C 3.09Å; R339-L351 PolarHBondContact O-N 2.62Å; R339-I352 VanDerWaalsContact CD-O 3.26Å; R339-I352 WeakPolarHBondContact CD-O 3.48Å; R339-I352 HydrophobicContact CG-CB 4.16Å; R339-I352 WeakPolarHBondContact CG-O 3.47Å; R339-I352 PolarHBondContact NH1-O 2.84Å; R339-D357 IonicContact CZ-OD1 3.23Å; R339-D357 IonicContact CZ-OD2 3.34Å; R339-D357 IonicContact NH1-OD1 3.97Å; R339-D357 PolarHBondContact NH1-OD1 3.36Å; R339-D357 VanDerWaalsContact NH1-OD1 3.13Å; R339-D357 IonicContact NH1-OD2 3.61Å; R339-D357 PolarHBondContact NH1-OD2 3.46Å; R339-D357 IonicContact NH2-OD1 2.62Å; R339-D357 PolarHBondContact NH2-OD1 3.28Å; R339-D357 IonicContact NH2-OD2 3.12Å
340	T	92.3	Very high	91	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.2	-177.1	52.8	0	0	0	0	112.5	F328 V334 H335 N336 N337 L348 D349 I350	F328-T340 HydrophobicContact CE1-CG2 4.42Å; F328-T340 HydrophobicContact CZ-CG2 4.2Å; V334-T340 HydrophobicContact CG1-CG2 4.45Å; H335-T340 PolarHBondContact O-OG1 2.96Å; N336-T340 WeakPolarHBondContact CA-O 3.3Å; N337-T340 PolarHBondContact N-O 2.91Å; N337-T340 PolarHBondContact ND2-OG1 3.17Å; N337-T340 PolarHBondContact OD1-N 3.41Å; N337-T340 VanDerWaalsContact OD1-N 3.14Å; N337-T340 PolarHBondContact OD1-OG1 2.89Å; T340-L348 HydrophobicContact CG2-CD1 4.4Å; T340-D349 CarbonylContact C-O 3.53Å; T340-D349 VanDerWaalsContact CA-O 3.3Å; T340-D349 WeakPolarHBondContact CA-O 3.4Å; T340-I350 HydrophobicContact CG2-CB 4.34Å; T340-I350 HydrophobicContact CG2-CG1 4.05Å; T340-I350 HydrophobicContact CG2-CG2 4.09Å
341	I	93.2	Very high	91.3	Very high	56 Å²	56	64.1 Å²	64.1	29%	0.287	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.5	178	-58.2	178.2	0	0	0	108.8	Y343 L348 D349 L351	I341-Y343 HydrophobicContact CB-CE2 4.37Å; I341-Y343 HydrophobicContact CG2-CD2 4.25Å; I341-Y343 HydrophobicContact CG2-CE1 4.19Å; I341-Y343 HydrophobicContact CG2-CE2 3.81Å; I341-L348 WeakPolarHBondContact O-CA 3.09Å; I341-D349 HydrophobicContact CB-CB 4.48Å; I341-D349 PolarHBondContact N-O 2.81Å; I341-D349 PolarHBondContact O-N 2.92Å; I341-L351 HydrophobicContact CD1-CD1 4.05Å; I341-L351 HydrophobicContact CD1-CD2 4.32Å; I341-L351 HydrophobicContact CD1-CG 4.44Å; I341-L351 HydrophobicContact CG1-CD1 4.42Å
342	L	93.1	Very high	91.4	Very high	42 Å²	42	66.4 Å²	66.4	22%	0.22	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.1	167.5	-175.7	65.2	0	0	0	109.4	N336 L348	N336-L342 PolarHBondContact ND2-O 3.12Å; N336-L342 WeakPolarHBondContact OD1-CB 3.31Å; N336-L342 PolarHBondContact OD1-N 3.14Å; L342-L348 HydrophobicContact CD1-CB 4.42Å
343	Y	91.8	Very high	91.4	Very high	97 Å²	97	60.2 Å²	60.2	38%	0.38	32%	0.315	S	S	.	.			trans	-106.6	151.5	175.4	-61.7	-92.9	0	0	0	111.4	I341 N345 G346 T347 D349	I341-Y343 HydrophobicContact CB-CE2 4.37Å; I341-Y343 HydrophobicContact CG2-CD2 4.25Å; I341-Y343 HydrophobicContact CG2-CE1 4.19Å; I341-Y343 HydrophobicContact CG2-CE2 3.81Å; Y343-N345 WeakPolarHBondContact CB-OD1 3.28Å; Y343-N345 PolarHBondContact O-N 2.91Å; Y343-G346 PolarHBondContact O-N 2.85Å; Y343-T347 HydrophobicContact CD2-CG2 4.4Å; Y343-T347 WeakPolarHBondContact CD2-O 3.15Å; Y343-T347 PolarHBondContact N-O 3Å; Y343-D349 HydrophobicContact CE2-CB 4.13Å; Y343-D349 WeakPolarHBondContact CE2-OD2 3.38Å; Y343-D349 PolarHBondContact OH-OD2 3.25Å
344	D	86.5	Confident	91.3	Very high	181 Å²	181	58.7 Å²	58.7	97%	0.968	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.2	179.8	-49.5	-46.3	0	0	0	113.6	G346	D344-G346 PolarHBondContact O-N 3Å
345	N	88.1	Confident	91.1	Very high	108 Å²	108	62.4 Å²	62.4	58%	0.578	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	4.5	176.3	71.6	13.2	0	0	0	114.4	Y343 T347	Y343-N345 WeakPolarHBondContact CB-OD1 3.28Å; Y343-N345 PolarHBondContact O-N 2.91Å; N345-T347 WeakPolarHBondContact OD1-CB 3.23Å; N345-T347 PolarHBondContact OD1-N 2.86Å; N345-T347 PolarHBondContact OD1-OG1 3.18Å
346	G	89.3	Confident	90.9	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.01	34%	0.341	C	S	.	.	S	Bend	trans	85.6	1.9	-178.9	0	0	0	0	0	115.6	W326 Y343 D344	W326-G346 PolarHBondContact NE1-O 2.99Å; Y343-G346 PolarHBondContact O-N 2.85Å; D344-G346 PolarHBondContact O-N 3Å
347	T	93.6	Very high	90.7	Very high	19 Å²	19	61 Å²	61	12%	0.117	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	139.6	175.9	-52.4	0	0	0	0	111	T311 L312 K313 Y343 N345	T311-T347 HydrophobicContact CG2-CG2 3.56Å; L312-T347 CarbonylContact O-C 3.49Å; L312-T347 WeakPolarHBondContact O-CA 3.41Å; L312-T347 WeakPolarHBondContact O-CG2 3.35Å; K313-T347 HydrophobicContact CG-CG2 4.07Å; Y343-T347 HydrophobicContact CD2-CG2 4.4Å; Y343-T347 WeakPolarHBondContact CD2-O 3.15Å; Y343-T347 PolarHBondContact N-O 3Å; N345-T347 WeakPolarHBondContact OD1-CB 3.23Å; N345-T347 PolarHBondContact OD1-N 2.86Å; N345-T347 PolarHBondContact OD1-OG1 3.18Å
348	L	94.6	Very high	90.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.4	171.9	165.5	58.8	0	0	0	109.7	L312 W326 V334 T340 I341 L342 I350 F361	L312-L348 HydrophobicContact CB-CB 4.39Å; L312-L348 HydrophobicContact CD1-CD2 4.21Å; L312-L348 PolarHBondContact N-O 2.81Å; L312-L348 PolarHBondContact O-N 3.03Å; W326-L348 HydrophobicContact CB-CD2 3.68Å; W326-L348 HydrophobicContact CD2-CB 4.18Å; W326-L348 HydrophobicContact CD2-CD2 3.98Å; W326-L348 HydrophobicContact CE3-CD2 4.44Å; W326-L348 HydrophobicContact CG-CB 4Å; W326-L348 HydrophobicContact CG-CD2 3.67Å; W326-L348 HydrophobicContact CG-CG 4.49Å; V334-L348 HydrophobicContact CB-CD2 4.31Å; V334-L348 HydrophobicContact CG1-CD1 3.74Å; V334-L348 HydrophobicContact CG1-CD2 3.92Å; V334-L348 HydrophobicContact CG2-CD2 3.97Å; T340-L348 HydrophobicContact CG2-CD1 4.4Å; I341-L348 WeakPolarHBondContact O-CA 3.09Å; L342-L348 HydrophobicContact CD1-CB 4.42Å; L348-I350 HydrophobicContact CG-CG1 4.3Å; L348-F361 HydrophobicContact CD2-CD1 4.4Å
349	D	94.1	Very high	90.9	Very high	28 Å²	28	55.5 Å²	55.5	15%	0.15	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.9	167	-77.2	-21.8	0	0	0	110.5	T311 T340 I341 Y343	T311-D349 WeakPolarHBondContact CA-OD1 3.21Å; T311-D349 WeakPolarHBondContact CB-OD1 3.38Å; T311-D349 WeakPolarHBondContact CG2-OD1 3.3Å; T311-D349 PolarHBondContact OG1-OD1 3.06Å; T340-D349 CarbonylContact C-O 3.53Å; T340-D349 VanDerWaalsContact CA-O 3.3Å; T340-D349 WeakPolarHBondContact CA-O 3.4Å; I341-D349 HydrophobicContact CB-CB 4.48Å; I341-D349 PolarHBondContact N-O 2.81Å; I341-D349 PolarHBondContact O-N 2.92Å; Y343-D349 HydrophobicContact CE2-CB 4.13Å; Y343-D349 WeakPolarHBondContact CE2-OD2 3.38Å; Y343-D349 PolarHBondContact OH-OD2 3.25Å
350	I	93.8	Very high	91	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	106.2	168.9	-49.6	-179.1	0	0	0	106.2	G309 V310 L312 R339 T340 L348 T353 F361 I378	G309-I350 CarbonylContact C-O 3.55Å; G309-I350 WeakPolarHBondContact CA-O 3.46Å; V310-I350 HydrophobicContact CG1-CB 3.97Å; V310-I350 HydrophobicContact CG1-CD1 4.28Å; V310-I350 HydrophobicContact CG1-CG1 4.38Å; V310-I350 PolarHBondContact N-O 2.87Å; V310-I350 PolarHBondContact O-N 2.81Å; L312-I350 HydrophobicContact CD1-CD1 4.39Å; R339-I350 CarbonylContact O-C 3.09Å; T340-I350 HydrophobicContact CG2-CB 4.34Å; T340-I350 HydrophobicContact CG2-CG1 4.05Å; T340-I350 HydrophobicContact CG2-CG2 4.09Å; L348-I350 HydrophobicContact CG-CG1 4.3Å; I350-T353 HydrophobicContact CB-CG2 4.47Å; I350-T353 HydrophobicContact CG2-CG2 3.99Å; I350-F361 HydrophobicContact CD1-CD1 4.5Å; I350-F361 HydrophobicContact CD1-CE1 3.62Å; I350-F361 HydrophobicContact CD1-CE2 4.21Å; I350-F361 HydrophobicContact CD1-CZ 3.45Å; I350-F361 VanDerWaalsContact CD1-CZ 3.45Å; I350-I378 HydrophobicContact CD1-CD1 4.46Å
351	L	92.4	Very high	91.1	Very high	82 Å²	82	54.4 Å²	54.4	43%	0.429	29%	0.29	S	S	.	.	S	Bend	trans	-70.8	-37.2	-173.1	-59.1	179.7	0	0	0	112.7	G309 R339 I341	G309-L351 WeakPolarHBondContact CA-O 3.35Å; G309-L351 PolarHBondContact N-O 3.02Å; R339-L351 PolarHBondContact O-N 2.62Å; I341-L351 HydrophobicContact CD1-CD1 4.05Å; I341-L351 HydrophobicContact CD1-CD2 4.32Å; I341-L351 HydrophobicContact CD1-CG 4.44Å; I341-L351 HydrophobicContact CG1-CD1 4.42Å
352	I	90.3	Very high	91.2	Very high	93 Å²	93	54.5 Å²	54.5	48%	0.477	29%	0.291	S	S	.	.	S	Bend	trans	-133.9	110.9	179.8	-52.8	174.3	0	0	0	107.5	R339	R339-I352 VanDerWaalsContact CD-O 3.26Å; R339-I352 WeakPolarHBondContact CD-O 3.48Å; R339-I352 HydrophobicContact CG-CB 4.16Å; R339-I352 WeakPolarHBondContact CG-O 3.47Å; R339-I352 PolarHBondContact NH1-O 2.84Å
353	T	90.4	Very high	91.3	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	28%	0.281	C	S	.	.			trans	-83.7	152.7	174.4	54.2	0	0	0	0	112.1	V304 M305 G307 Q308 V310 I350 M380	V304-T353 HydrophobicContact CG1-CG2 3.97Å; M305-T353 PolarHBondContact O-OG1 2.98Å; G307-T353 PolarHBondContact N-O 2.72Å; G307-T353 PolarHBondContact N-OG1 3.3Å; Q308-T353 VanDerWaalsContact O-CG2 3.3Å; Q308-T353 WeakPolarHBondContact O-CG2 3.41Å; Q308-T353 PolarHBondContact O-N 3.38Å; Q308-T353 PolarHBondContact O-OG1 3.3Å; V310-T353 HydrophobicContact CG1-CG2 3.61Å; I350-T353 HydrophobicContact CB-CG2 4.47Å; I350-T353 HydrophobicContact CG2-CG2 3.99Å; T353-M380 HydrophobicContact CG2-CE 3.51Å; T353-M380 HydrophobicContact CG2-SD 4.09Å
354	T	89.5	Confident	91.5	Very high	47 Å²	47	48.4 Å²	48.4	29%	0.288	27%	0.266	S	S	.	.			trans	-130.2	159.4	175.1	69.7	0	0	0	0	109.5	K356 D357	T354-K356 PolarHBondContact O-N 3.14Å; T354-K356 PolarHBondContact OG1-N 3.37Å; T354-D357 PolarHBondContact N-OD2 3.17Å; T354-D357 WeakPolarHBondContact O-CB 3.27Å; T354-D357 PolarHBondContact O-N 2.8Å; T354-D357 PolarHBondContact OG1-OD2 3.29Å
355	L	87.7	Confident	92	Very high	83 Å²	83	39.8 Å²	39.8	44%	0.435	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-56.3	-20.2	175	-70.9	168.2	0	0	0	114.6	E306 D357 S358 M380 P382	E306-L355 WeakPolarHBondContact OE1-CG 3.22Å; E306-L355 PolarHBondContact OE1-N 2.8Å; L355-D357 VanDerWaalsContact C-N 3.28Å; L355-D357 PolarHBondContact O-N 3.36Å; L355-S358 PolarHBondContact O-N 2.89Å; L355-M380 HydrophobicContact CD2-CB 4.04Å; L355-P382 HydrophobicContact CD1-CB 4.2Å; L355-P382 HydrophobicContact CD2-CB 4.01Å
356	K	86.9	Confident	92.3	Very high	191 Å²	191	36 Å²	36	83%	0.83	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-74.7	-14.5	175.5	-64.4	-178.7	-179.7	176.6	0	114.1	T354 S358	T354-K356 PolarHBondContact O-N 3.14Å; T354-K356 PolarHBondContact OG1-N 3.37Å; K356-S358 VanDerWaalsContact C-N 3.32Å
357	D	87.8	Confident	92.6	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-86.9	0.1	177.4	-60.5	-72.9	0	0	0	112.7	R339 T354 L355 G359 F361 M380	R339-D357 IonicContact CZ-OD1 3.23Å; R339-D357 IonicContact CZ-OD2 3.34Å; R339-D357 IonicContact NH1-OD1 3.97Å; R339-D357 PolarHBondContact NH1-OD1 3.36Å; R339-D357 VanDerWaalsContact NH1-OD1 3.13Å; R339-D357 IonicContact NH1-OD2 3.61Å; R339-D357 PolarHBondContact NH1-OD2 3.46Å; R339-D357 IonicContact NH2-OD1 2.62Å; R339-D357 PolarHBondContact NH2-OD1 3.28Å; R339-D357 IonicContact NH2-OD2 3.12Å; T354-D357 PolarHBondContact N-OD2 3.17Å; T354-D357 WeakPolarHBondContact O-CB 3.27Å; T354-D357 PolarHBondContact O-N 2.8Å; T354-D357 PolarHBondContact OG1-OD2 3.29Å; L355-D357 VanDerWaalsContact C-N 3.28Å; L355-D357 PolarHBondContact O-N 3.36Å; D357-G359 PolarHBondContact O-N 3.29Å; D357-F361 HydrophobicContact CB-CE2 4.41Å; D357-F361 HydrophobicContact CB-CZ 4.17Å; D357-F361 VanDerWaalsContact O-CE2 3.28Å; D357-F361 WeakPolarHBondContact O-CE2 3.48Å; D357-M380 HydrophobicContact CB-CE 3.71Å
358	S	90.6	Very high	92.6	Very high	51 Å²	51	39.3 Å²	39.3	36%	0.357	23%	0.227	S	C	.	.			trans	-71	126.5	177.2	-151.3	0	0	0	0	110.6	L355 K356 I378 M380	L355-S358 PolarHBondContact O-N 2.89Å; K356-S358 VanDerWaalsContact C-N 3.32Å; S358-I378 WeakPolarHBondContact CA-O 3.44Å; S358-I378 PolarHBondContact OG-O 3Å; S358-M380 PolarHBondContact OG-N 2.61Å
359	G	91.4	Very high	92.6	Very high	27 Å²	27	41.5 Å²	41.5	28%	0.278	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	138	-163.8	179.7	0	0	0	0	0	113.8	D357 E377 I378	D357-G359 PolarHBondContact O-N 3.29Å; G359-E377 WeakPolarHBondContact O-CA 3.37Å; G359-I378 PolarHBondContact N-O 3.32Å; G359-I378 PolarHBondContact O-N 2.99Å
360	A	93.5	Very high	92.7	Very high	31 Å²	31	41.3 Å²	41.3	26%	0.256	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.1	-176.9	0	0	0	0	0	112.4	P329 N362 A375 E377	P329-A360 WeakPolarHBondContact CA-O 3.47Å; A360-N362 PolarHBondContact O-ND2 3.44Å; A360-A375 HydrophobicContact CB-CB 4.22Å; A360-E377 HydrophobicContact CB-CG 4.23Å
361	F	94.5	Very high	92.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127.9	165.8	-78.3	-101.2	0	0	0	109.5	L312 W326 R327 F328 P329 L348 I350 D357 A375 V376 I378	L312-F361 HydrophobicContact CD1-CB 3.82Å; L312-F361 HydrophobicContact CD1-CD1 3.86Å; L312-F361 HydrophobicContact CD1-CD2 4.14Å; L312-F361 HydrophobicContact CD1-CE1 4.47Å; L312-F361 HydrophobicContact CD1-CG 3.67Å; W326-F361 HydrophobicContact CE3-CB 4.02Å; W326-F361 HydrophobicContact CZ3-CB 3.95Å; R327-F361 WeakPolarHBondContact O-CA 3.23Å; F328-F361 HydrophobicContact CD1-CD1 4.41Å; F328-F361 AromaticContact CD1-CE1 3.45Å; F328-F361 HydrophobicContact CD1-CE1 3.45Å; F328-F361 VanDerWaalsContact CD1-CE1 3.45Å; F328-F361 AromaticContact CD1-CZ 3.93Å; F328-F361 HydrophobicContact CD1-CZ 3.93Å; F328-F361 AromaticContact CE1-CE1 3.89Å; F328-F361 HydrophobicContact CE1-CE1 3.89Å; F328-F361 HydrophobicContact CE1-CZ 4.39Å; F328-F361 HydrophobicContact CG-CE1 4.35Å; P329-F361 HydrophobicContact CG-CD2 3.99Å; P329-F361 HydrophobicContact CG-CE2 3.88Å; P329-F361 HydrophobicContact CG-CZ 4.35Å; L348-F361 HydrophobicContact CD2-CD1 4.4Å; I350-F361 HydrophobicContact CD1-CD1 4.5Å; I350-F361 HydrophobicContact CD1-CE1 3.62Å; I350-F361 HydrophobicContact CD1-CE2 4.21Å; I350-F361 HydrophobicContact CD1-CZ 3.45Å; I350-F361 VanDerWaalsContact CD1-CZ 3.45Å; D357-F361 HydrophobicContact CB-CE2 4.41Å; D357-F361 HydrophobicContact CB-CZ 4.17Å; D357-F361 VanDerWaalsContact O-CE2 3.28Å; D357-F361 WeakPolarHBondContact O-CE2 3.48Å; F361-A375 CarbonylContact O-C 3.51Å; F361-A375 WeakPolarHBondContact O-CA 3.5Å; F361-V376 PolarHBondContact N-O 2.96Å; F361-V376 PolarHBondContact O-N 2.96Å; F361-I378 HydrophobicContact CD2-CD1 3.58Å; F361-I378 HydrophobicContact CD2-CG1 3.91Å; F361-I378 HydrophobicContact CE2-CD1 3.44Å; F361-I378 VanDerWaalsContact CE2-CD1 3.44Å; F361-I378 HydrophobicContact CE2-CG1 4.1Å; F361-I378 HydrophobicContact CZ-CD1 4.3Å
362	N	95.2	Very high	93	Very high	57 Å²	57	44.4 Å²	44.4	31%	0.305	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	111.4	-178.7	-69.2	-84.3	0	0	0	109.9	W326 R327 A360	W326-N362 CarbonylContact C-O 3.5Å; W326-N362 WeakPolarHBondContact CA-O 3.39Å; R327-N362 HydrophobicContact CB-CB 4.35Å; R327-N362 PolarHBondContact N-O 3.18Å; R327-N362 PolarHBondContact O-N 2.95Å; A360-N362 PolarHBondContact O-ND2 3.44Å
363	C	95.8	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131.5	162	177.9	0	0	0	0	108.7	C314 W326 T373 A374	C314-C363 HydrophobicContact CB-CB 3.7Å; C314-C363 WeakPolarHBondContact CB-SG 3.49Å; C314-C363 WeakPolarHBondContact SG-CB 3.28Å; C314-C363 CovalentContact SG-SG 2.03Å; C314-C363 PolarHBondContact SG-SG 3.06Å; W326-C363 HydrophobicContact CD2-CB 4.25Å; W326-C363 HydrophobicContact CE3-CB 4.02Å; W326-C363 HydrophobicContact CH2-CB 3.99Å; W326-C363 HydrophobicContact CZ2-CB 4.22Å; W326-C363 HydrophobicContact CZ3-CB 3.87Å; C363-T373 CarbonylContact O-C 3.51Å; C363-T373 VanDerWaalsContact O-CA 3.26Å; C363-T373 WeakPolarHBondContact O-CA 3.45Å; C363-A374 PolarHBondContact N-O 3.48Å; C363-A374 PolarHBondContact O-N 3.2Å
364	V	95.6	Very high	93.4	Very high	11 Å²	11	45.2 Å²	45.2	7%	0.067	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.9	177	-175.1	0	0	0	0	107.1	H325 R327 I371 A372 T373	H325-V364 PolarHBondContact N-O 3.24Å; H325-V364 PolarHBondContact O-N 2.84Å; R327-V364 HydrophobicContact CG-CG2 4.26Å; V364-I371 HydrophobicContact CG1-CG2 3.63Å; V364-A372 WeakPolarHBondContact CA-O 3.4Å; V364-T373 HydrophobicContact CB-CG2 4.48Å; V364-T373 HydrophobicContact CG1-CG2 4.21Å; V364-T373 HydrophobicContact CG2-CG2 4.1Å
365	A	96.4	Very high	93.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.3	173.4	0	0	0	0	0	109	P292 I294 A316 P322 A323 I324 I371 A372	P292-A365 HydrophobicContact CB-CB 4.05Å; P292-A365 WeakPolarHBondContact CG-O 3.27Å; I294-A365 HydrophobicContact CD1-CB 4.14Å; I294-A365 HydrophobicContact CG1-CB 3.81Å; A316-A365 HydrophobicContact CB-CB 3.55Å; P322-A365 HydrophobicContact CB-CB 4.37Å; A323-A365 WeakPolarHBondContact O-CA 3.42Å; I324-A365 HydrophobicContact CD1-CB 3.7Å; A365-I371 CarbonylContact O-C 3.43Å; A365-I371 WeakPolarHBondContact O-CA 3.39Å; A365-A372 PolarHBondContact N-O 2.98Å; A365-A372 PolarHBondContact O-N 2.95Å
366	S	95.8	Very high	94	Very high	30 Å²	30	41.8 Å²	41.8	21%	0.21	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.3	-176	51.7	0	0	0	0	112.8	P322 A323 G370	P322-S366 WeakPolarHBondContact CA-O 3.32Å; A323-S366 PolarHBondContact N-O 3.28Å; A323-S366 PolarHBondContact O-N 3.23Å; S366-G370 WeakPolarHBondContact CA-O 3.42Å
367	N	95.7	Very high	94.2	Very high	29 Å²	29	39.2 Å²	39.2	16%	0.155	26%	0.258	C	S	.	.			trans	-140.8	-170.6	172.7	78.6	1.1	0	0	0	111.3	E290 P292 D319 P320 P322 A369 G370	E290-N367 PolarHBondContact O-ND2 3.39Å; P292-N367 WeakPolarHBondContact CD-OD1 3.49Å; D319-N367 PolarHBondContact O-ND2 2.83Å; P320-N367 HydrophobicContact CG-CB 4.11Å; P320-N367 WeakPolarHBondContact O-CB 3.41Å; P320-N367 PolarHBondContact O-ND2 2.54Å; P322-N367 HydrophobicContact CB-CB 4.11Å; N367-A369 VanDerWaalsContact C-N 3.28Å; N367-A369 PolarHBondContact O-N 3.03Å; N367-A369 PolarHBondContact OD1-N 3.06Å; N367-G370 PolarHBondContact N-O 2.78Å; N367-G370 PolarHBondContact O-N 3.32Å; N367-G370 PolarHBondContact OD1-N 2.8Å; N367-G370 VanDerWaalsContact OD1-N 3.13Å
368	A	93.3	Very high	94.4	Very high	60 Å²	60	39 Å²	39	50%	0.496	26%	0.257	S	S	.	.	S	Bend	trans	-65.2	-24.5	-178.3	0	0	0	0	0	114.6	E252 P320	E252-A368 HydrophobicContact CG-CB 3.94Å; P320-A368 HydrophobicContact CG-CB 4.18Å
369	A	94.6	Very high	94.4	Very high	46 Å²	46	39.8 Å²	39.8	38%	0.38	26%	0.257	S	S	.	.	S	Bend	trans	-90.9	-23.3	178.7	0	0	0	0	0	114.1	C289 P291 N367	C289-A369 HydrophobicContact CB-CB 3.7Å; P291-A369 HydrophobicContact CB-CB 4.23Å; N367-A369 VanDerWaalsContact C-N 3.28Å; N367-A369 PolarHBondContact O-N 3.03Å; N367-A369 PolarHBondContact OD1-N 3.06Å
370	G	95	Very high	94.4	Very high	23 Å²	23	39.4 Å²	39.4	24%	0.237	25%	0.248	C	C	.	.			trans	172.1	-165.7	179.4	0	0	0	0	0	116.3	P292 S366 N367	P292-G370 WeakPolarHBondContact CD-O 3.13Å; P292-G370 WeakPolarHBondContact CG-O 3.22Å; S366-G370 WeakPolarHBondContact CA-O 3.42Å; N367-G370 PolarHBondContact N-O 2.78Å; N367-G370 PolarHBondContact O-N 3.32Å; N367-G370 PolarHBondContact OD1-N 2.8Å; N367-G370 VanDerWaalsContact OD1-N 3.13Å
371	I	96	Very high	94.1	Very high	125 Å²	125	41.4 Å²	41.4	64%	0.641	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.4	-177.8	-53.6	177.7	0	0	0	108.6	V364 A365	V364-I371 HydrophobicContact CG1-CG2 3.63Å; A365-I371 CarbonylContact O-C 3.43Å; A365-I371 WeakPolarHBondContact O-CA 3.39Å
372	A	96.3	Very high	93.6	Very high	24 Å²	24	44.9 Å²	44.9	20%	0.198	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.1	171.5	0	0	0	0	0	110.4	P292 I294 V364 A365	P292-A372 HydrophobicContact CB-CB 4.33Å; P292-A372 HydrophobicContact CG-CB 3.97Å; P292-A372 WeakPolarHBondContact O-CB 3.34Å; I294-A372 HydrophobicContact CD1-CB 4.28Å; I294-A372 HydrophobicContact CG1-CB 4.28Å; V364-A372 WeakPolarHBondContact CA-O 3.4Å; A365-A372 PolarHBondContact N-O 2.98Å; A365-A372 PolarHBondContact O-N 2.95Å
373	T	95.9	Very high	92.7	Very high	98 Å²	98	47.1 Å²	47.1	60%	0.601	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.3	-176.2	57.3	0	0	0	0	111.3	C363 V364	C363-T373 CarbonylContact O-C 3.51Å; C363-T373 VanDerWaalsContact O-CA 3.26Å; C363-T373 WeakPolarHBondContact O-CA 3.45Å; V364-T373 HydrophobicContact CB-CG2 4.48Å; V364-T373 HydrophobicContact CG1-CG2 4.21Å; V364-T373 HydrophobicContact CG2-CG2 4.1Å
374	A	94.9	Very high	91.4	Very high	13 Å²	13	51.8 Å²	51.8	11%	0.107	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.7	175.2	0	0	0	0	0	110.6	I294 H297 C363	I294-A374 HydrophobicContact CB-CB 4.32Å; I294-A374 HydrophobicContact CD1-CB 3.65Å; I294-A374 HydrophobicContact CG2-CB 3.92Å; H297-A374 HydrophobicContact CB-CB 3.99Å; C363-A374 PolarHBondContact N-O 3.48Å; C363-A374 PolarHBondContact O-N 3.2Å
375	A	94.3	Very high	89.5	Confident	49 Å²	49	58.6 Å²	58.6	41%	0.405	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	144.2	177.3	0	0	0	0	0	111.4	A360 F361	A360-A375 HydrophobicContact CB-CB 4.22Å; F361-A375 CarbonylContact O-C 3.51Å; F361-A375 WeakPolarHBondContact O-CA 3.5Å
376	V	94.1	Very high	87.3	Confident	9 Å²	9	66.1 Å²	66.1	6%	0.055	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	113.6	168.4	-179	0	0	0	0	107.5	H297 L312 W326 F361	H297-V376 HydrophobicContact CB-CG2 3.81Å; L312-V376 HydrophobicContact CD2-CG1 4.13Å; W326-V376 HydrophobicContact CH2-CB 4.41Å; W326-V376 HydrophobicContact CH2-CG2 3.93Å; W326-V376 HydrophobicContact CZ3-CB 4.27Å; W326-V376 HydrophobicContact CZ3-CG2 4.11Å; F361-V376 PolarHBondContact N-O 2.96Å; F361-V376 PolarHBondContact O-N 2.96Å
377	E	92.3	Very high	84.8	Confident	137 Å²	137	69.2 Å²	69.2	64%	0.64	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	140.4	-178	-63.3	-173.7	161.6	0	0	111.9	G359 A360	G359-E377 WeakPolarHBondContact O-CA 3.37Å; A360-E377 HydrophobicContact CB-CG 4.23Å
378	I	92.1	Very high	82.5	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.1	169.3	-40.6	177.8	0	0	0	109.2	V304 V310 L312 I350 S358 G359 F361 M380	V304-I378 HydrophobicContact CB-CG2 4.3Å; V304-I378 HydrophobicContact CG2-CG2 3.61Å; V310-I378 HydrophobicContact CG1-CD1 4.15Å; L312-I378 HydrophobicContact CD1-CD1 4.09Å; L312-I378 HydrophobicContact CD2-CD1 3.71Å; L312-I378 HydrophobicContact CD2-CG1 4.16Å; L312-I378 HydrophobicContact CG-CD1 4.38Å; I350-I378 HydrophobicContact CD1-CD1 4.46Å; S358-I378 WeakPolarHBondContact CA-O 3.44Å; S358-I378 PolarHBondContact OG-O 3Å; G359-I378 PolarHBondContact N-O 3.32Å; G359-I378 PolarHBondContact O-N 2.99Å; F361-I378 HydrophobicContact CD2-CD1 3.58Å; F361-I378 HydrophobicContact CD2-CG1 3.91Å; F361-I378 HydrophobicContact CE2-CD1 3.44Å; F361-I378 VanDerWaalsContact CE2-CD1 3.44Å; F361-I378 HydrophobicContact CE2-CG1 4.1Å; F361-I378 HydrophobicContact CZ-CD1 4.3Å; I378-M380 HydrophobicContact CB-CE 4.16Å; I378-M380 HydrophobicContact CD1-CE 4.37Å; I378-M380 HydrophobicContact CG2-CE 3.53Å; I378-M380 HydrophobicContact CG2-SD 4.41Å
379	N	90.5	Very high	79.8	Confident	67 Å²	67	79 Å²	79	36%	0.358	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119	173.5	-65.9	-69	0	0	0	109.9	P302 Y303 V304	P302-N379 PolarHBondContact O-N 2.6Å; Y303-N379 WeakPolarHBondContact CA-O 3.34Å; Y303-N379 HydrophobicContact CD1-CB 3.52Å; Y303-N379 HydrophobicContact CE1-CB 3.7Å; V304-N379 PolarHBondContact N-O 2.93Å
380	M	90.4	Very high	77.3	Confident	18 Å²	18	83.4 Å²	83.4	9%	0.089	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.1	178.8	-64	-62.9	165.2	0	0	111.2	V304 T353 L355 D357 S358 I378	V304-M380 HydrophobicContact CB-CE 4.31Å; V304-M380 HydrophobicContact CB-SD 3.85Å; V304-M380 HydrophobicContact CG1-SD 4.35Å; V304-M380 CarbonylContact O-C 3.18Å; V304-M380 WeakPolarHBondContact O-CA 3.33Å; T353-M380 HydrophobicContact CG2-CE 3.51Å; T353-M380 HydrophobicContact CG2-SD 4.09Å; L355-M380 HydrophobicContact CD2-CB 4.04Å; D357-M380 HydrophobicContact CB-CE 3.71Å; S358-M380 PolarHBondContact OG-N 2.61Å; I378-M380 HydrophobicContact CB-CE 4.16Å; I378-M380 HydrophobicContact CD1-CE 4.37Å; I378-M380 HydrophobicContact CG2-CE 3.53Å; I378-M380 HydrophobicContact CG2-SD 4.41Å
381	I	87.1	Confident	74.7	Confident	74 Å²	74	88.8 Å²	88.8	38%	0.379	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.1	172.1	-58.7	177.5	0	0	0	107.4	V304 M305 E306	V304-I381 PolarHBondContact O-N 3.47Å; M305-I381 WeakPolarHBondContact CA-O 3.2Å; M305-I381 HydrophobicContact SD-CB 4.12Å; M305-I381 HydrophobicContact SD-CG2 3.69Å; E306-I381 PolarHBondContact N-O 3.41Å
382	P	83.9	Confident	71.8	Confident	72 Å²	72	90.6 Å²	90.6	47%	0.468	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-62.8	143.1	176.8	26.3	-33.9	0	0	0	110.7	L355	L355-P382 HydrophobicContact CD1-CB 4.2Å; L355-P382 HydrophobicContact CD2-CB 4.01Å
383	L	75.8	Confident	68.9	Low	104 Å²	104	97.1 Å²	97.1	55%	0.545	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-61.7	129	172	-169.2	75.2	0	0	0	108.8	M305 L385	M305-L383 HydrophobicContact CE-CD1 4.22Å; L383-L385 PolarHBondContact O-N 2.74Å
384	P	70	Confident	65.7	Low	98 Å²	98	101.4 Å²	101.4	64%	0.636	55%	0.546	S	S	*	.			trans	-65.2	108.1	-179.6	25.1	-33.3	0	0	0	110.1	L386	P384-L386 PolarHBondContact O-N 3.01Å; P384-L386 VanDerWaalsContact O-N 3.08Å
385	L	54.6	Low	62.6	Low	154 Å²	154	110.6 Å²	110.6	81%	0.806	58%	0.577	S	S	*	*			trans	-60.5	113.1	173.9	-69.5	174.3	0	0	0	109	L383 V387	L383-L385 PolarHBondContact O-N 2.74Å; L385-V387 HydrophobicContact CB-CG2 4.25Å; L385-V387 PolarHBondContact O-N 3.38Å
386	L	50.5	Low	59.6	Low	158 Å²	158	114.7 Å²	114.7	83%	0.827	59%	0.588	S	S	*	*			trans	-78.4	77.2	178.5	-152.2	164.4	0	0	0	108.7	P384 N388	P384-L386 PolarHBondContact O-N 3.01Å; P384-L386 VanDerWaalsContact O-N 3.08Å; L386-N388 PolarHBondContact O-N 2.9Å
387	V	43.8	Very low	56.6	Low	96 Å²	96	119.1 Å²	119.1	58%	0.582	63%	0.626	S	S	*	*			trans	-67.3	102.2	-177.6	-178.9	0	0	0	0	109.7	L385 N389	L385-V387 HydrophobicContact CB-CG2 4.25Å; L385-V387 PolarHBondContact O-N 3.38Å; V387-N389 HydrophobicContact CG1-CB 3.98Å; V387-N389 PolarHBondContact O-N 2.82Å
388	N	48	Very low	53.6	Low	154 Å²	154	118.1 Å²	118.1	82%	0.824	63%	0.625	S	S	*	*			trans	-67.6	80.1	166.2	-93.5	-12.4	0	0	0	110.2	L386	L386-N388 PolarHBondContact O-N 2.9Å
389	N	35.9	Very low	50.6	Low	141 Å²	141	128.5 Å²	128.5	75%	0.754	66%	0.664	S	S	*	*			trans	-107.8	99.6	171.3	-94.7	-3.3	0	0	0	110.8	V387 L391	V387-N389 HydrophobicContact CG1-CB 3.98Å; V387-N389 PolarHBondContact O-N 2.82Å; N389-L391 PolarHBondContact O-N 3.29Å
390	T	42	Very low	47.6	Very low	137 Å²	137	129 Å²	129	84%	0.84	68%	0.684	S	S	*	*			trans	-69.3	111.1	158.3	47	0	0	0	0	109.6
391	L	40.8	Very low	44.7	Very low	136 Å²	136	135.8 Å²	135.8	71%	0.712	72%	0.72	S	S	*	*			trans	55.8	106.5	150.5	-164.2	78.4	0	0	0	117.6	N389	N389-L391 PolarHBondContact O-N 3.29Å
392	H	35	Very low	42.3	Very low	164 Å²	164	137.8 Å²	137.8	76%	0.759	74%	0.741	S	S	*	*				-166.3	157.2	107.5	-111.8	-83.2	0	0	0	113.5
393	H	35.1	Very low	39.9	Very low	160 Å²	160	141.2 Å²	141.2	74%	0.741	76%	0.756	S	S	*	*			trans	-53.3	148.3	-179.1	-72.7	-101.7	0	0	0	115.2
394	M	28.2	Very low	38.1	Very low	189 Å²	189	142.4 Å²	142.4	93%	0.931	76%	0.761	S	S	*	*				-154.7	157.6	109.9	-90.5	-117.3	-84.1	0	0	113.1
395	R	30.3	Very low	36.5	Very low	205 Å²	205	143.5 Å²	143.5	77%	0.774	77%	0.766	S	S	*	*			trans	-75.5	165.6	176	-82.4	171	69.2	178.3	4	110.6
396	E	31.1	Very low	35.5	Very low	135 Å²	135	142 Å²	142	63%	0.631	76%	0.764	S	S	*	*			cis	-178.5	141.6	-7.9	164.2	173	-135.8	0	0	107.3
397	A	31.2	Very low	34.7	Very low	103 Å²	103	139.9 Å²	139.9	85%	0.851	76%	0.762	S	S	*	*			trans	-155.4	147.8	170.5	0	0	0	0	0	109.5
398	D	28.5	Very low	34	Very low	115 Å²	115	141.2 Å²	141.2	62%	0.615	78%	0.776	S	S	*	*			trans	-98.9	153.5	-150	-124.2	-48.6	0	0	0	117.3
399	R	29.1	Very low	33.3	Very low	219 Å²	219	143.5 Å²	143.5	83%	0.826	78%	0.778	S	S	*	*			trans	-6.3	130.6	164.1	-66.4	156.3	178.2	105.8	-7.5	119.5
400	G	28.9	Very low	33.2	Very low	76 Å²	76	142.9 Å²	142.9	78%	0.784	79%	0.785	S	S	*	*			trans	-144.1	125.4	150.9	0	0	0	0	0	110.3
401	L	29.4	Very low	32.6	Very low	161 Å²	161	140 Å²	140	84%	0.843	78%	0.782	S	S	*	*			trans	-53.8	145.1	-175.9	-83	57.1	0	0	0	111.8
402	S	36.6	Very low	32.2	Very low	116 Å²	116	140.9 Å²	140.9	81%	0.811	79%	0.788	S	S	*	*				-156.5	132.4	61.1	-56.5	0	0	0	0	115.7
403	D	32.8	Very low	32	Very low	145 Å²	145	140.4 Å²	140.4	78%	0.775	79%	0.791	S	S	*	*			trans	-68.2	169.2	156	-84.8	-50.1	0	0	0	111.3
404	I	38.3	Very low	32	Very low	128 Å²	128	137.8 Å²	137.8	66%	0.656	79%	0.786	S	S	*	*			cis	-154.2	127.5	12	-138.2	154.3	0	0	0	112.8
405	T	37.1	Very low	32.1	Very low	121 Å²	121	138.8 Å²	138.8	74%	0.742	79%	0.785	S	S	*	*			trans	48.6	176.2	147.5	67.5	0	0	0	0	121.4
406	T	33.2	Very low	31.9	Very low	124 Å²	124	132.6 Å²	132.6	76%	0.761	79%	0.785	S	S	*	*			cis	-124	153.3	-3.5	50	0	0	0	0	109.2
407	S	33.2	Very low	31.8	Very low	113 Å²	113	134.5 Å²	134.5	79%	0.79	79%	0.794	S	S	*	*			cis	78.9	97.5	31.5	-165	0	0	0	0	116.1
408	S	30.4	Very low	32	Very low	124 Å²	124	136.2 Å²	136.2	87%	0.867	79%	0.789	S	S	*	*			trans	-152	133.1	151.3	61.7	0	0	0	0	109.7
409	K	33.2	Very low	32.4	Very low	202 Å²	202	140 Å²	140	88%	0.878	80%	0.8	S	S	*	*			trans	-141	149.6	-173	-178.4	-173.1	175.7	-175.7	0	110.9
410	S	32.8	Very low	32.6	Very low	127 Å²	127	138.2 Å²	138.2	89%	0.888	80%	0.8	S	S	*	*			trans	80.3	145.6	165.4	-152.1	0	0	0	0	116.9
411	G	28.5	Very low	33.1	Very low	77 Å²	77	143.9 Å²	143.9	79%	0.794	81%	0.807	S	S	*	*			trans	146.2	87.9	-177.8	0	0	0	0	0	110.6
412	N	34.3	Very low	33.7	Very low	154 Å²	154	143 Å²	143	82%	0.824	80%	0.803	S	S	*	*			trans	-125.9	107.1	178.4	178.9	60	0	0	0	109.1
413	D	28.9	Very low	34.6	Very low	154 Å²	154	145.9 Å²	145.9	82%	0.824	80%	0.801	S	S	*	*			trans	-154.9	168.2	171.8	-138	-33.9	0	0	0	111.3
414	T	35.2	Very low	36.2	Very low	106 Å²	106	148.6 Å²	148.6	65%	0.65	80%	0.8	S	S	*	*			trans	-122.5	152.7	-158.2	61.3	0	0	0	0	116.8
415	K	30.3	Very low	38.1	Very low	209 Å²	209	142.8 Å²	142.8	91%	0.909	77%	0.771	S	S	*	*			trans	75.8	131.9	170.7	-54.9	177	179.6	176	0	117.8
416	G	27.8	Very low	40.3	Very low	75 Å²	75	140.8 Å²	140.8	77%	0.773	76%	0.758	S	S	*	*			trans	134.1	93.2	151.2	0	0	0	0	0	117
417	H	28.9	Very low	42.7	Very low	175 Å²	175	136.5 Å²	136.5	81%	0.81	73%	0.732	S	S	*	*			trans	31	116.2	157.5	-84.6	-77.3	0	0	0	122
418	D	34.9	Very low	44.6	Very low	139 Å²	139	133.3 Å²	133.3	74%	0.743	71%	0.712	S	S	*	*			trans	70.8	148.8	135.1	-73.7	-54.7	0	0	0	123.2
419	K	36.7	Very low	47	Very low	194 Å²	194	132.1 Å²	132.1	84%	0.843	69%	0.692	S	S	*	*			trans	63.3	66.6	168.8	-64.5	-178.4	-179.1	177.9	0	117.7
420	H	34.2	Very low	49.3	Very low	182 Å²	182	125.9 Å²	125.9	84%	0.843	67%	0.668	S	S	*	*			trans	-142.8	25.6	150.6	-110.3	-56.4	0	0	0	116.7
421	Q	38.1	Very low	51.8	Low	196 Å²	196	122.5 Å²	122.5	92%	0.916	64%	0.642	S	S	*	*			trans	-91.1	91	163.8	-75.4	-174.4	-14.9	0	0	110.8
422	D	43.4	Very low	54.4	Low	142 Å²	142	120 Å²	120	76%	0.759	61%	0.613	S	S	*	*			trans	-162.6	31.2	168.3	-135.7	-6.2	0	0	0	114.8
423	K	54.5	Low	56.8	Low	176 Å²	176	115.2 Å²	115.2	77%	0.765	59%	0.591	S	S	*	*	S	Bend	trans	-143	48.6	-175	-69.5	-166.5	177.6	-176.3	0	114.8
424	R	65.8	Low	59.6	Low	203 Å²	203	109 Å²	109	77%	0.766	56%	0.56	S	S	*	*	S	Bend	trans	-144.3	168.5	166.9	-69.3	-166.9	178.2	-172.5	-0.7	110.1	P440	R424-P440 VanDerWaalsContact O-CD 3.24Å; R424-P440 WeakPolarHBondContact O-CD 3.4Å
425	V	78.7	Confident	62.1	Low	6 Å²	6	104 Å²	104	4%	0.036	53%	0.529	C	S	.	.			trans	-68	136.6	164.8	-178.1	0	0	0	0	108.4	I437 W439 L488 V490 V510	V425-I437 HydrophobicContact CG1-CG2 3.47Å; V425-I437 VanDerWaalsContact CG1-CG2 3.47Å; V425-W439 HydrophobicContact CG2-CB 4.03Å; V425-L488 HydrophobicContact CG1-CD2 4.48Å; V425-V490 HydrophobicContact CG1-CG2 3.92Å; V425-V490 HydrophobicContact CG2-CB 4.17Å; V425-V490 HydrophobicContact CG2-CG2 3.95Å; V425-V510 HydrophobicContact CG1-CB 4.46Å; V425-V510 HydrophobicContact CG1-CG1 3.91Å
426	V	83.6	Confident	64.9	Low	79 Å²	79	95 Å²	95	48%	0.479	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.1	-175	-179.6	0	0	0	0	110.1	R438	V426-R438 PolarHBondContact N-O 3.1Å; V426-R438 PolarHBondContact O-N 2.98Å
427	V	84.1	Confident	67.9	Low	34 Å²	34	91.4 Å²	91.4	21%	0.206	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.1	164.7	-170.8	0	0	0	0	107.8	L430 A435 V436 I437 V510 F512	V427-L430 HydrophobicContact CG1-CB 4.18Å; V427-A435 HydrophobicContact CG1-CB 4.28Å; V427-V436 WeakPolarHBondContact CA-O 3.43Å; V427-I437 HydrophobicContact CG1-CD1 4.47Å; V427-I437 HydrophobicContact CG2-CD1 3.82Å; V427-V510 HydrophobicContact CG2-CG1 3.87Å; V427-V510 HydrophobicContact CG2-CG2 3.94Å; V427-F512 HydrophobicContact CG2-CB 4.05Å; V427-F512 HydrophobicContact CG2-CD1 3.73Å; V427-F512 HydrophobicContact CG2-CE1 4.43Å; V427-F512 HydrophobicContact CG2-CG 3.99Å
428	A	73.1	Confident	70.6	Confident	45 Å²	45	87.8 Å²	87.8	37%	0.372	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-32	-171.1	0	0	0	0	0	114.3	V436 R438	A428-V436 PolarHBondContact N-O 3.27Å; A428-R438 HydrophobicContact CB-CG 3.99Å
429	E	79.3	Confident	73	Confident	99 Å²	99	81.7 Å²	81.7	46%	0.463	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	133.3	172.4	-73.5	121.5	-125.6	0	0	107.6	A435 V436 R438	E429-A435 CarbonylContact O-C 3.04Å; E429-A435 WeakPolarHBondContact O-CA 3.35Å; E429-V436 HydrophobicContact CB-CB 4.13Å; E429-V436 HydrophobicContact CB-CG2 4.03Å; E429-V436 PolarHBondContact O-N 3.07Å; E429-R438 IonicContact OE1-CZ 3.11Å; E429-R438 VanDerWaalsContact OE1-CZ 3.27Å; E429-R438 IonicContact OE1-NH1 2.6Å; E429-R438 PolarHBondContact OE1-NH1 3.33Å; E429-R438 IonicContact OE1-NH2 2.89Å; E429-R438 PolarHBondContact OE1-NH2 2.97Å; E429-R438 IonicContact OE2-NH2 3.08Å; E429-R438 PolarHBondContact OE2-NH2 3.25Å
430	L	83.4	Confident	74.8	Confident	71 Å²	71	74.6 Å²	74.6	37%	0.372	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	132.2	-175.7	-179.6	59.7	0	0	0	109.9	V427 A435 F512 H513 T514	V427-L430 HydrophobicContact CG1-CB 4.18Å; L430-A435 HydrophobicContact CD1-CB 3.75Å; L430-F512 HydrophobicContact CD1-CD2 3.56Å; L430-F512 HydrophobicContact CD1-CE2 3.83Å; L430-F512 HydrophobicContact CD2-CB 4.24Å; L430-F512 HydrophobicContact CD2-CD2 4.08Å; L430-H513 WeakPolarHBondContact CD2-O 3.37Å; L430-T514 HydrophobicContact CD1-CG2 4.29Å
431	T	84.1	Confident	76.1	Confident	56 Å²	56	68.5 Å²	68.5	34%	0.344	35%	0.352	S	S	.	.			trans	-124.4	-163.2	-179	74.5	0	0	0	0	110.7	S433 S434 A515	T431-S433 VanDerWaalsContact C-N 3.33Å; T431-S433 PolarHBondContact OG1-N 2.84Å; T431-S433 VanDerWaalsContact OG1-N 3.09Å; T431-S434 WeakPolarHBondContact CG2-OG 3.39Å; T431-S434 PolarHBondContact N-O 3.05Å; T431-S434 PolarHBondContact OG1-N 3.07Å; T431-S434 PolarHBondContact OG1-O 3.29Å; T431-S434 PolarHBondContact OG1-OG 2.97Å; T431-A515 PolarHBondContact O-N 3.45Å; T431-A515 VanDerWaalsContact O-N 3.08Å
432	S	82.5	Confident	77	Confident	24 Å²	24	64.4 Å²	64.4	17%	0.168	33%	0.333	C	S	.	.	S	Bend	trans	-73	-24.6	167.7	55.3	0	0	0	0	113	A481 A482 A515 E517	S432-A481 CarbonylContact O-C 3.33Å; S432-A482 WeakPolarHBondContact O-CA 3.29Å; S432-A482 PolarHBondContact O-N 3.06Å; S432-A515 WeakPolarHBondContact CA-O 3.15Å; S432-A515 WeakPolarHBondContact CB-O 3.46Å; S432-E517 WeakPolarHBondContact CB-OE2 3.37Å; S432-E517 PolarHBondContact OG-OE2 2.82Å
433	S	84.5	Confident	77.5	Confident	54 Å²	54	69.1 Å²	69.1	38%	0.378	34%	0.341	S	S	.	.	S	Bend	trans	-135.5	0.4	-168.9	57.6	0	0	0	0	115.8	T431 N478 D479 L480	T431-S433 VanDerWaalsContact C-N 3.33Å; T431-S433 PolarHBondContact OG1-N 2.84Å; T431-S433 VanDerWaalsContact OG1-N 3.09Å; S433-N478 CarbonylContact O-C 3.57Å; S433-D479 PolarHBondContact O-N 3.41Å; S433-L480 WeakPolarHBondContact CA-O 3.4Å; S433-L480 PolarHBondContact O-N 3.26Å
434	S	88.4	Confident	77.5	Confident	25 Å²	25	69.3 Å²	69.3	18%	0.175	34%	0.344	C	S	.	.			trans	-148.1	151	-179.7	67.5	0	0	0	0	113.5	T431 I477	T431-S434 WeakPolarHBondContact CG2-OG 3.39Å; T431-S434 PolarHBondContact N-O 3.05Å; T431-S434 PolarHBondContact OG1-N 3.07Å; T431-S434 PolarHBondContact OG1-O 3.29Å; T431-S434 PolarHBondContact OG1-OG 2.97Å; S434-I477 CarbonylContact C-O 3.57Å; S434-I477 WeakPolarHBondContact CA-O 3.09Å; S434-I477 VanDerWaalsContact CB-O 3.29Å; S434-I477 WeakPolarHBondContact CB-O 3.31Å
435	A	88.4	Confident	77.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	132.8	178.2	0	0	0	0	0	112	V427 E429 L430 I437 I477 L480 F512	V427-A435 HydrophobicContact CG1-CB 4.28Å; E429-A435 CarbonylContact O-C 3.04Å; E429-A435 WeakPolarHBondContact O-CA 3.35Å; L430-A435 HydrophobicContact CD1-CB 3.75Å; A435-I437 HydrophobicContact CB-CD1 4.5Å; A435-I477 PolarHBondContact N-O 2.82Å; A435-I477 PolarHBondContact O-N 3.21Å; A435-L480 HydrophobicContact CB-CD1 3.73Å; A435-F512 HydrophobicContact CB-CD2 4.44Å; A435-F512 HydrophobicContact CB-CE2 3.71Å; A435-F512 HydrophobicContact CB-CZ 3.86Å
436	V	88.9	Confident	76.3	Confident	19 Å²	19	65.4 Å²	65.4	12%	0.115	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	110.6	174.8	179.5	0	0	0	0	110.2	V427 A428 E429 R438 F475 L476	V427-V436 WeakPolarHBondContact CA-O 3.43Å; A428-V436 PolarHBondContact N-O 3.27Å; E429-V436 HydrophobicContact CB-CB 4.13Å; E429-V436 HydrophobicContact CB-CG2 4.03Å; E429-V436 PolarHBondContact O-N 3.07Å; V436-R438 HydrophobicContact CG1-CG 4.2Å; V436-F475 WeakPolarHBondContact CA-O 3.42Å; V436-L476 HydrophobicContact CG2-CD1 3.67Å
437	I	89.6	Confident	75.6	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.9	175.5	-45.8	-56.4	0	0	0	109.2	V425 V427 A435 W439 T474 F475 I477 L488 V490 F512	V425-I437 HydrophobicContact CG1-CG2 3.47Å; V425-I437 VanDerWaalsContact CG1-CG2 3.47Å; V427-I437 HydrophobicContact CG1-CD1 4.47Å; V427-I437 HydrophobicContact CG2-CD1 3.82Å; A435-I437 HydrophobicContact CB-CD1 4.5Å; I437-W439 HydrophobicContact CG2-CE3 4.24Å; I437-T474 CarbonylContact O-C 3.09Å; I437-T474 WeakPolarHBondContact O-CA 3.4Å; I437-F475 PolarHBondContact N-O 3.39Å; I437-F475 PolarHBondContact O-N 3.45Å; I437-I477 HydrophobicContact CD1-CD1 4.03Å; I437-I477 HydrophobicContact CG1-CD1 3.77Å; I437-I477 HydrophobicContact CG1-CG1 4.2Å; I437-L488 HydrophobicContact CD1-CD1 3.83Å; I437-L488 HydrophobicContact CD1-CD2 4.41Å; I437-L488 HydrophobicContact CG1-CD1 3.76Å; I437-L488 HydrophobicContact CG1-CD2 4.35Å; I437-L488 HydrophobicContact CG2-CD2 3.97Å; I437-V490 HydrophobicContact CG2-CG2 4.37Å; I437-F512 HydrophobicContact CD1-CE1 4.19Å
438	R	86	Confident	75.1	Confident	100 Å²	100	64 Å²	64	38%	0.377	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.2	174.6	-51.5	-165.5	166.8	131.3	9.2	109.5	V426 A428 E429 V436 T474	V426-R438 PolarHBondContact N-O 3.1Å; V426-R438 PolarHBondContact O-N 2.98Å; A428-R438 HydrophobicContact CB-CG 3.99Å; E429-R438 IonicContact OE1-CZ 3.11Å; E429-R438 VanDerWaalsContact OE1-CZ 3.27Å; E429-R438 IonicContact OE1-NH1 2.6Å; E429-R438 PolarHBondContact OE1-NH1 3.33Å; E429-R438 IonicContact OE1-NH2 2.89Å; E429-R438 PolarHBondContact OE1-NH2 2.97Å; E429-R438 IonicContact OE2-NH2 3.08Å; E429-R438 PolarHBondContact OE2-NH2 3.25Å; V436-R438 HydrophobicContact CG1-CG 4.2Å; R438-T474 HydrophobicContact CB-CG2 4.15Å; R438-T474 HydrophobicContact CG-CG2 3.73Å
439	W	86.3	Confident	75.2	Confident	10 Å²	10	68.9 Å²	68.9	4%	0.038	35%	0.351	C	S	.	.			trans	-134.7	143.1	177.3	60.4	96.9	0	0	0	112.4	V425 I437 Y451 I453 I468 S472 K473 F475 V490 V507	V425-W439 HydrophobicContact CG2-CB 4.03Å; I437-W439 HydrophobicContact CG2-CE3 4.24Å; W439-Y451 AromaticContact CZ2-CD2 3.89Å; W439-Y451 HydrophobicContact CZ2-CD2 3.89Å; W439-Y451 HydrophobicContact CZ2-CE2 4.42Å; W439-Y451 HydrophobicContact CZ2-CG 4.12Å; W439-Y451 AromaticContact NE1-CD1 3.88Å; W439-Y451 AromaticContact NE1-CD2 3.71Å; W439-Y451 AromaticContact NE1-CE1 3.7Å; W439-Y451 AromaticContact NE1-CE2 3.51Å; W439-Y451 AromaticContact NE1-CG 3.89Å; W439-Y451 AromaticContact NE1-CZ 3.52Å; W439-I453 HydrophobicContact CH2-CD1 4.05Å; W439-I453 HydrophobicContact CZ3-CD1 3.8Å; W439-I468 HydrophobicContact CH2-CD1 4.12Å; W439-S472 WeakPolarHBondContact CZ2-O 3.33Å; W439-K473 PolarHBondContact N-O 3.26Å; W439-F475 HydrophobicContact CH2-CB 4.07Å; W439-F475 HydrophobicContact CZ3-CB 3.89Å; W439-V490 HydrophobicContact CD2-CG1 4.15Å; W439-V490 HydrophobicContact CE3-CG2 4.39Å; W439-V490 HydrophobicContact CG-CG1 4.33Å; W439-V507 HydrophobicContact CB-CG1 4.43Å
440	P	73.6	Confident	75.4	Confident	45 Å²	45	67.3 Å²	67.3	29%	0.292	34%	0.344	S	S	.	.			trans	-70	137.5	178.1	29.2	-35.2	0	0	0	110.4	R424 E442	R424-P440 VanDerWaalsContact O-CD 3.24Å; R424-P440 WeakPolarHBondContact O-CD 3.4Å; P440-E442 PolarHBondContact O-N 3.48Å; P440-E442 VanDerWaalsContact O-N 3.15Å
441	S	61	Low	75.5	Confident	54 Å²	54	64.5 Å²	64.5	38%	0.378	33%	0.329	S	S	.	.			trans	-77	100.5	171.8	55.1	0	0	0	0	110.2	R443 K473	S441-R443 PolarHBondContact O-N 3.1Å; S441-K473 PolarHBondContact OG-NZ 2.96Å
442	E	58.3	Low	75.6	Confident	111 Å²	111	63.4 Å²	63.4	52%	0.519	32%	0.32	S	S	.	.			trans	-59.6	122.2	176.4	-71.6	-155.2	117.7	0	0	112.2	P440 H444	P440-E442 PolarHBondContact O-N 3.48Å; P440-E442 VanDerWaalsContact O-N 3.15Å; E442-H444 VanDerWaalsContact C-N 3.28Å; E442-H444 PolarHBondContact O-N 3.38Å
443	R	53.8	Low	75.9	Confident	241 Å²	241	62.2 Å²	62.2	91%	0.909	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	60.8	174.6	-63.2	-171.5	-175.4	-170.6	2.9	112.1	S441	S441-R443 PolarHBondContact O-N 3.1Å
444	H	53.5	Low	76.1	Confident	180 Å²	180	62.1 Å²	62.1	83%	0.833	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-175	28.6	153.9	-108.9	84.1	0	0	0	117.2	E442 P446	E442-H444 VanDerWaalsContact C-N 3.28Å; E442-H444 PolarHBondContact O-N 3.38Å; H444-P446 WeakPolarHBondContact O-CD 3.38Å
445	I	59.7	Low	76.1	Confident	24 Å²	24	61.8 Å²	61.8	12%	0.123	30%	0.3	C	S	.	.			trans	-96.9	101	164.1	-51.1	177.3	0	0	0	108.6	I448 A492 Y494	I445-I448 HydrophobicContact CB-CD1 3.98Å; I445-I448 HydrophobicContact CB-CG1 3.85Å; I445-I448 HydrophobicContact CD1-CD1 4.45Å; I445-I448 HydrophobicContact CG2-CD1 4.26Å; I445-I448 HydrophobicContact CG2-CG1 3.62Å; I445-A492 HydrophobicContact CD1-CB 4.07Å; I445-Y494 HydrophobicContact CG2-CD1 4.17Å; I445-Y494 HydrophobicContact CG2-CD2 4.33Å; I445-Y494 HydrophobicContact CG2-CG 3.88Å
446	P	60	Low	76.1	Confident	103 Å²	103	64.4 Å²	64.4	67%	0.669	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	145.4	169.8	30.2	-34.2	0	0	0	110	H444	H444-P446 WeakPolarHBondContact O-CD 3.38Å
447	G	68.2	Low	75.8	Confident	46 Å²	46	63.7 Å²	63.7	47%	0.474	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	22.7	169.2	0	0	0	0	0	117.3	R449 Y494 D495	G447-R449 PolarHBondContact O-N 3.41Å; G447-R449 VanDerWaalsContact O-N 3.11Å; G447-Y494 VanDerWaalsContact O-CA 3.29Å; G447-Y494 WeakPolarHBondContact O-CA 3.42Å; G447-D495 PolarHBondContact O-N 3.24Å
448	I	74.3	Confident	75.2	Confident	37 Å²	37	68.5 Å²	68.5	19%	0.19	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	114.4	171.6	-50.4	178.1	0	0	0	109.9	I445 Y451 S470 A492 V493	I445-I448 HydrophobicContact CB-CD1 3.98Å; I445-I448 HydrophobicContact CB-CG1 3.85Å; I445-I448 HydrophobicContact CD1-CD1 4.45Å; I445-I448 HydrophobicContact CG2-CD1 4.26Å; I445-I448 HydrophobicContact CG2-CG1 3.62Å; I448-Y451 HydrophobicContact CD1-CE1 4.31Å; I448-Y451 HydrophobicContact CG2-CE1 4.44Å; I448-S470 VanDerWaalsContact O-CB 3.31Å; I448-S470 WeakPolarHBondContact O-CB 2.88Å; I448-S470 PolarHBondContact O-OG 3.08Å; I448-A492 HydrophobicContact CD1-CB 4.43Å; I448-A492 HydrophobicContact CG2-CB 4.38Å; I448-V493 WeakPolarHBondContact CA-O 3.3Å
449	R	74.4	Confident	74.5	Confident	148 Å²	148	66.8 Å²	66.8	56%	0.558	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	-43.5	171.2	-71.8	-168.3	178.7	-177.7	10.5	111.8	G447 S470 V493 D495	G447-R449 PolarHBondContact O-N 3.41Å; G447-R449 VanDerWaalsContact O-N 3.11Å; R449-S470 WeakPolarHBondContact O-CB 3.49Å; R449-S470 PolarHBondContact O-OG 3.12Å; R449-V493 PolarHBondContact N-O 2.71Å; R449-D495 IonicContact CZ-OD1 3.17Å; R449-D495 IonicContact CZ-OD2 2.57Å; R449-D495 IonicContact NE-OD1 2.79Å; R449-D495 PolarHBondContact NE-OD1 3.02Å; R449-D495 IonicContact NE-OD2 2.67Å; R449-D495 PolarHBondContact NE-OD2 2.88Å; R449-D495 VanDerWaalsContact NH2-CG 3.26Å; R449-D495 IonicContact NH2-OD1 2.74Å; R449-D495 PolarHBondContact NH2-OD1 3.09Å; R449-D495 VanDerWaalsContact NH2-OD1 3.08Å; R449-D495 IonicContact NH2-OD2 3.58Å; R449-D495 PolarHBondContact NH2-OD2 2.89Å
450	M	83.8	Confident	73.8	Confident	65 Å²	65	69.1 Å²	69.1	32%	0.32	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	158.6	-169.4	57	-148	-52.6	0	0	111.3	M467 I468 V493	M450-M467 HydrophobicContact CE-CB 3.88Å; M450-M467 HydrophobicContact CE-CE 3.66Å; M450-M467 HydrophobicContact CE-CG 4.23Å; M450-M467 HydrophobicContact CG-CE 3.94Å; M450-M467 HydrophobicContact SD-CE 4.01Å; M450-I468 CarbonylContact C-O 3.56Å; M450-I468 WeakPolarHBondContact CA-O 3.48Å; M450-I468 WeakPolarHBondContact CB-O 3.27Å; M450-V493 HydrophobicContact CG-CB 3.78Å; M450-V493 HydrophobicContact CG-CG1 4.45Å; M450-V493 HydrophobicContact CG-CG2 3.91Å; M450-V493 PolarHBondContact N-O 3.49Å; M450-V493 PolarHBondContact O-N 3.32Å
451	Y	85.1	Confident	73	Confident	12 Å²	12	74.6 Å²	74.6	5%	0.047	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	143.4	166.1	-66.2	-74.7	0	0	0	109.7	W439 I448 I468 S472 V490 L491 A492 V507	W439-Y451 AromaticContact CZ2-CD2 3.89Å; W439-Y451 HydrophobicContact CZ2-CD2 3.89Å; W439-Y451 HydrophobicContact CZ2-CE2 4.42Å; W439-Y451 HydrophobicContact CZ2-CG 4.12Å; W439-Y451 AromaticContact NE1-CD1 3.88Å; W439-Y451 AromaticContact NE1-CD2 3.71Å; W439-Y451 AromaticContact NE1-CE1 3.7Å; W439-Y451 AromaticContact NE1-CE2 3.51Å; W439-Y451 AromaticContact NE1-CG 3.89Å; W439-Y451 AromaticContact NE1-CZ 3.52Å; I448-Y451 HydrophobicContact CD1-CE1 4.31Å; I448-Y451 HydrophobicContact CG2-CE1 4.44Å; Y451-I468 PolarHBondContact N-O 3.02Å; Y451-I468 PolarHBondContact O-N 2.91Å; Y451-S472 WeakPolarHBondContact CE2-O 3.29Å; Y451-V490 HydrophobicContact CD1-CG1 4.26Å; Y451-L491 CarbonylContact C-O 3.58Å; Y451-L491 VanDerWaalsContact CA-O 3.27Å; Y451-L491 WeakPolarHBondContact CA-O 3.44Å; Y451-A492 HydrophobicContact CD1-CB 4.01Å; Y451-A492 HydrophobicContact CE1-CB 3.84Å; Y451-V507 HydrophobicContact CD1-CG2 4.23Å; Y451-V507 HydrophobicContact CE1-CG2 4.01Å
452	Q	87.3	Confident	73.4	Confident	33 Å²	33	76.7 Å²	76.7	15%	0.154	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120	168.7	-178.1	176.3	10.4	0	0	107.8	Q454 M467 L491 V493	Q452-Q454 HydrophobicContact CG-CG 4.06Å; Q452-Q454 VanDerWaalsContact NE2-NE2 3.13Å; Q452-M467 HydrophobicContact CB-CE 3.86Å; Q452-M467 HydrophobicContact CB-SD 3.82Å; Q452-M467 HydrophobicContact CG-CE 4.24Å; Q452-M467 HydrophobicContact CG-SD 3.61Å; Q452-L491 HydrophobicContact CB-CB 4.46Å; Q452-L491 PolarHBondContact N-O 2.98Å; Q452-L491 PolarHBondContact O-N 2.86Å; Q452-V493 HydrophobicContact CB-CG2 4.35Å
453	I	87.9	Confident	74.3	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135.4	166.6	-61.5	-167.7	0	0	0	107.7	W439 Y455 Y465 R466 I468 F475 L488 C489 V490	W439-I453 HydrophobicContact CH2-CD1 4.05Å; W439-I453 HydrophobicContact CZ3-CD1 3.8Å; I453-Y455 HydrophobicContact CG2-CD1 4.32Å; I453-Y465 CarbonylContact O-C 3.59Å; I453-Y465 WeakPolarHBondContact O-CA 3.39Å; I453-R466 PolarHBondContact N-O 2.81Å; I453-R466 PolarHBondContact O-N 3.04Å; I453-I468 HydrophobicContact CB-CD1 4.44Å; I453-I468 HydrophobicContact CD1-CD1 3.43Å; I453-I468 VanDerWaalsContact CD1-CD1 3.43Å; I453-I468 HydrophobicContact CG1-CD1 3.65Å; I453-F475 HydrophobicContact CD1-CB 3.68Å; I453-F475 HydrophobicContact CD1-CD1 3.98Å; I453-F475 HydrophobicContact CD1-CG 4Å; I453-L488 HydrophobicContact CG2-CD1 3.7Å; I453-L488 HydrophobicContact CG2-CD2 4.14Å; I453-L488 HydrophobicContact CG2-CG 3.86Å; I453-C489 WeakPolarHBondContact CA-O 3.27Å; I453-V490 HydrophobicContact CD1-CG2 4.27Å; I453-V490 HydrophobicContact CG1-CG1 4.35Å; I453-V490 HydrophobicContact CG1-CG2 4.14Å
454	Q	89.4	Confident	75.7	Confident	52 Å²	52	66.9 Å²	66.9	24%	0.243	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.2	174.1	-61.7	179.1	-11	0	0	108.2	Q452 L463 V464 L488 C489 L491	Q452-Q454 HydrophobicContact CG-CG 4.06Å; Q452-Q454 VanDerWaalsContact NE2-NE2 3.13Å; Q454-L463 HydrophobicContact CB-CD1 4.17Å; Q454-L463 HydrophobicContact CB-CD2 4.27Å; Q454-L463 HydrophobicContact CB-CG 4.33Å; Q454-L463 HydrophobicContact CG-CD2 4.46Å; Q454-V464 CarbonylContact C-O 3.59Å; Q454-V464 WeakPolarHBondContact CA-O 3.39Å; Q454-L488 CarbonylContact O-C 3.57Å; Q454-L488 WeakPolarHBondContact O-CA 3.11Å; Q454-C489 PolarHBondContact N-O 3.28Å; Q454-C489 PolarHBondContact O-N 3.49Å; Q454-L491 HydrophobicContact CG-CD1 3.93Å
455	Y	87.8	Confident	77.2	Confident	17 Å²	17	65.4 Å²	65.4	7%	0.067	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148.2	176	66.4	-81.4	0	0	0	113	I453 V464 I477 L480 Y486 D487	I453-Y455 HydrophobicContact CG2-CD1 4.32Å; Y455-V464 HydrophobicContact CD1-CB 4.3Å; Y455-V464 HydrophobicContact CD1-CG1 4.46Å; Y455-V464 HydrophobicContact CD2-CB 4.42Å; Y455-V464 HydrophobicContact CE1-CB 3.97Å; Y455-V464 HydrophobicContact CE1-CG1 3.69Å; Y455-V464 HydrophobicContact CE2-CB 4.1Å; Y455-V464 HydrophobicContact CE2-CG1 4.31Å; Y455-V464 HydrophobicContact CE2-CG2 4.5Å; Y455-V464 PolarHBondContact N-O 2.82Å; Y455-V464 PolarHBondContact O-N 3.5Å; Y455-I477 HydrophobicContact CE1-CG2 4.39Å; Y455-I477 HydrophobicContact CE2-CG2 4.06Å; Y455-L480 HydrophobicContact CE2-CD2 4.27Å; Y455-Y486 HydrophobicContact CD2-CD1 4.35Å; Y455-D487 WeakPolarHBondContact CA-O 3.15Å; Y455-D487 WeakPolarHBondContact CB-O 3.17Å
456	N	88.3	Confident	78.3	Confident	56 Å²	56	69.2 Å²	69.2	30%	0.299	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162	173.4	65.3	-68.1	0	0	0	109.9	L463 Y486 D487	N456-L463 HydrophobicContact CB-CD1 4.08Å; N456-Y486 WeakPolarHBondContact O-CA 3.37Å; N456-Y486 WeakPolarHBondContact O-CD1 3.23Å; N456-D487 PolarHBondContact N-O 2.96Å; N456-D487 VanDerWaalsContact N-O 3.16Å; N456-D487 PolarHBondContact O-N 2.95Å; N456-D487 VanDerWaalsContact O-N 3.08Å
457	S	84.4	Confident	79.4	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	159.7	170.8	-163.6	0	0	0	0	110.7	A459 D460 R484 E485 Y486	S457-A459 PolarHBondContact O-N 3.05Å; S457-D460 WeakPolarHBondContact CB-OD2 3.31Å; S457-D460 PolarHBondContact O-N 3.18Å; S457-D460 VanDerWaalsContact O-N 3.16Å; S457-R484 VanDerWaalsContact OG-CD 3.25Å; S457-R484 WeakPolarHBondContact OG-CD 3.07Å; S457-E485 WeakPolarHBondContact CA-O 3.47Å; S457-E485 PolarHBondContact OG-O 3.25Å; S457-Y486 VanDerWaalsContact CB-CE1 3.5Å
458	T	76.9	Confident	80.1	Confident	101 Å²	101	66.7 Å²	66.7	62%	0.62	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-7.9	172.8	50.6	0	0	0	0	114.4	E485	T458-E485 HydrophobicContact CG2-CB 3.93Å; T458-E485 HydrophobicContact CG2-CG 4.24Å; T458-E485 PolarHBondContact N-O 2.89Å
459	A	70.1	Confident	80.5	Confident	65 Å²	65	68.7 Å²	68.7	54%	0.537	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	4.9	176.5	0	0	0	0	0	114.7	S457	S457-A459 PolarHBondContact O-N 3.05Å
460	D	72.9	Confident	80.6	Confident	59 Å²	59	64 Å²	64	32%	0.316	34%	0.343	S	S	.	.			trans	-118.5	111.4	-176.9	-60.4	-40.1	0	0	0	111.2	S457 T462 R484	S457-D460 WeakPolarHBondContact CB-OD2 3.31Å; S457-D460 PolarHBondContact O-N 3.18Å; S457-D460 VanDerWaalsContact O-N 3.16Å; D460-T462 PolarHBondContact O-N 3.06Å; D460-R484 IonicContact OD1-CZ 3.85Å; D460-R484 IonicContact OD1-NH1 2.7Å; D460-R484 PolarHBondContact OD1-NH1 2.99Å; D460-R484 IonicContact OD1-NH2 3.17Å; D460-R484 IonicContact OD2-NH1 2.76Å; D460-R484 PolarHBondContact OD2-NH1 2.75Å
461	D	56.3	Low	80.3	Confident	160 Å²	160	66.6 Å²	66.6	86%	0.856	36%	0.363	S	S	*	.	S	Bend	trans	-63.7	-6.6	-177.8	-87.5	-5.5	0	0	0	114.6
462	T	68.4	Low	80	Confident	97 Å²	97	67.8 Å²	67.8	60%	0.595	37%	0.373	S	S	*	.	S	Bend	trans	-117.4	121.9	-171.2	54.5	0	0	0	0	112.2	D460 V464	D460-T462 PolarHBondContact O-N 3.06Å; T462-V464 PolarHBondContact O-N 2.97Å
463	L	78.8	Confident	79.5	Confident	90 Å²	90	71.4 Å²	71.4	47%	0.471	39%	0.388	S	S	.	.			trans	-72.2	111.4	172.7	-173.9	70.2	0	0	0	111	Q454 N456	Q454-L463 HydrophobicContact CB-CD1 4.17Å; Q454-L463 HydrophobicContact CB-CD2 4.27Å; Q454-L463 HydrophobicContact CB-CG 4.33Å; Q454-L463 HydrophobicContact CG-CD2 4.46Å; N456-L463 HydrophobicContact CB-CD1 4.08Å
464	V	81.7	Confident	79.4	Confident	57 Å²	57	75.1 Å²	75.1	35%	0.345	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.7	174.8	-176.2	0	0	0	0	108.8	Q454 Y455 T462	Q454-V464 CarbonylContact C-O 3.59Å; Q454-V464 WeakPolarHBondContact CA-O 3.39Å; Y455-V464 HydrophobicContact CD1-CB 4.3Å; Y455-V464 HydrophobicContact CD1-CG1 4.46Å; Y455-V464 HydrophobicContact CD2-CB 4.42Å; Y455-V464 HydrophobicContact CE1-CB 3.97Å; Y455-V464 HydrophobicContact CE1-CG1 3.69Å; Y455-V464 HydrophobicContact CE2-CB 4.1Å; Y455-V464 HydrophobicContact CE2-CG1 4.31Å; Y455-V464 HydrophobicContact CE2-CG2 4.5Å; Y455-V464 PolarHBondContact N-O 2.82Å; Y455-V464 PolarHBondContact O-N 3.5Å; T462-V464 PolarHBondContact O-N 2.97Å
465	Y	84.5	Confident	79.2	Confident	149 Å²	149	74.6 Å²	74.6	58%	0.584	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.8	172.7	70.3	-86.9	0	0	0	111.9	I453 M467	I453-Y465 CarbonylContact O-C 3.59Å; I453-Y465 WeakPolarHBondContact O-CA 3.39Å; Y465-M467 HydrophobicContact CD2-SD 4.21Å
466	R	83.6	Confident	79.2	Confident	104 Å²	104	77.9 Å²	77.9	39%	0.392	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.9	175.7	-64.1	-172.3	-174.1	-138.1	6.7	110.2	I453 F475	I453-R466 PolarHBondContact N-O 2.81Å; I453-R466 PolarHBondContact O-N 3.04Å; R466-F475 VanDerWaalsContact CD-CZ 3.48Å
467	M	82.7	Confident	79.2	Confident	85 Å²	85	75.2 Å²	75.2	42%	0.419	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136.8	176.2	-55.4	-48.4	-71.8	0	0	110.1	M450 Q452 Y465 V493	M450-M467 HydrophobicContact CE-CB 3.88Å; M450-M467 HydrophobicContact CE-CE 3.66Å; M450-M467 HydrophobicContact CE-CG 4.23Å; M450-M467 HydrophobicContact CG-CE 3.94Å; M450-M467 HydrophobicContact SD-CE 4.01Å; Q452-M467 HydrophobicContact CB-CE 3.86Å; Q452-M467 HydrophobicContact CB-SD 3.82Å; Q452-M467 HydrophobicContact CG-CE 4.24Å; Q452-M467 HydrophobicContact CG-SD 3.61Å; Y465-M467 HydrophobicContact CD2-SD 4.21Å; M467-V493 HydrophobicContact CE-CG2 4.14Å
468	I	83.6	Confident	79.2	Confident	10 Å²	10	78.6 Å²	78.6	5%	0.051	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138	-171.2	-54.9	-174.8	0	0	0	109.5	W439 M450 Y451 I453 F475	W439-I468 HydrophobicContact CH2-CD1 4.12Å; M450-I468 CarbonylContact C-O 3.56Å; M450-I468 WeakPolarHBondContact CA-O 3.48Å; M450-I468 WeakPolarHBondContact CB-O 3.27Å; Y451-I468 PolarHBondContact N-O 3.02Å; Y451-I468 PolarHBondContact O-N 2.91Å; I453-I468 HydrophobicContact CB-CD1 4.44Å; I453-I468 HydrophobicContact CD1-CD1 3.43Å; I453-I468 VanDerWaalsContact CD1-CD1 3.43Å; I453-I468 HydrophobicContact CG1-CD1 3.65Å; I468-F475 HydrophobicContact CD1-CB 3.78Å; I468-F475 HydrophobicContact CD1-CD1 4.25Å; I468-F475 HydrophobicContact CD1-CD2 3.46Å; I468-F475 VanDerWaalsContact CD1-CD2 3.46Å; I468-F475 HydrophobicContact CD1-CE2 4.11Å; I468-F475 HydrophobicContact CD1-CG 3.55Å; I468-F475 HydrophobicContact CG1-CD2 4.3Å
469	P	82.5	Confident	79.3	Confident	79 Å²	79	80.9 Å²	80.9	51%	0.513	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	145	174.4	-27.3	35.6	0	0	0	113.5	T471 S472	P469-T471 PolarHBondContact O-N 2.67Å; P469-T471 VanDerWaalsContact O-N 3.1Å; P469-S472 WeakPolarHBondContact O-CB 3.34Å; P469-S472 PolarHBondContact O-N 3.04Å
470	S	77.1	Confident	80	Confident	51 Å²	51	78.4 Å²	78.4	36%	0.357	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.3	177.4	54.2	0	0	0	0	114.7	I448 R449	I448-S470 VanDerWaalsContact O-CB 3.31Å; I448-S470 WeakPolarHBondContact O-CB 2.88Å; I448-S470 PolarHBondContact O-OG 3.08Å; R449-S470 WeakPolarHBondContact O-CB 3.49Å; R449-S470 PolarHBondContact O-OG 3.12Å
471	T	76.4	Confident	80.5	Confident	119 Å²	119	77.2 Å²	77.2	73%	0.73	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-22.4	172.6	50	0	0	0	0	113.5	P469	P469-T471 PolarHBondContact O-N 2.67Å; P469-T471 VanDerWaalsContact O-N 3.1Å
472	S	79.7	Confident	81.8	Confident	37 Å²	37	71.7 Å²	71.7	26%	0.259	39%	0.39	S	S	.	.			trans	-78.4	140.9	-178.3	-59.8	0	0	0	0	112	W439 Y451 P469	W439-S472 WeakPolarHBondContact CZ2-O 3.33Å; Y451-S472 WeakPolarHBondContact CE2-O 3.29Å; P469-S472 WeakPolarHBondContact O-CB 3.34Å; P469-S472 PolarHBondContact O-N 3.04Å
473	K	77.5	Confident	82.5	Confident	109 Å²	109	68.7 Å²	68.7	47%	0.474	38%	0.379	S	S	.	.			trans	-123.7	-1.3	176.5	-53.3	-171.2	-176.2	-167.6	0	113.6	W439 S441	W439-K473 PolarHBondContact N-O 3.26Å; S441-K473 PolarHBondContact OG-NZ 2.96Å
474	T	83.9	Confident	82.8	Confident	77 Å²	77	68 Å²	68	47%	0.472	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	144.2	-175.7	59.8	0	0	0	0	109.1	I437 R438	I437-T474 CarbonylContact O-C 3.09Å; I437-T474 WeakPolarHBondContact O-CA 3.4Å; R438-T474 HydrophobicContact CB-CG2 4.15Å; R438-T474 HydrophobicContact CG-CG2 3.73Å
475	F	86.9	Confident	83.1	Confident	41 Å²	41	69.4 Å²	69.4	18%	0.18	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	136.1	174.9	-173.7	-110.4	0	0	0	110.8	V436 I437 W439 I453 R466 I468 I477	V436-F475 WeakPolarHBondContact CA-O 3.42Å; I437-F475 PolarHBondContact N-O 3.39Å; I437-F475 PolarHBondContact O-N 3.45Å; W439-F475 HydrophobicContact CH2-CB 4.07Å; W439-F475 HydrophobicContact CZ3-CB 3.89Å; I453-F475 HydrophobicContact CD1-CB 3.68Å; I453-F475 HydrophobicContact CD1-CD1 3.98Å; I453-F475 HydrophobicContact CD1-CG 4Å; R466-F475 VanDerWaalsContact CD-CZ 3.48Å; I468-F475 HydrophobicContact CD1-CB 3.78Å; I468-F475 HydrophobicContact CD1-CD1 4.25Å; I468-F475 HydrophobicContact CD1-CD2 3.46Å; I468-F475 VanDerWaalsContact CD1-CD2 3.46Å; I468-F475 HydrophobicContact CD1-CE2 4.11Å; I468-F475 HydrophobicContact CD1-CG 3.55Å; I468-F475 HydrophobicContact CG1-CD2 4.3Å; F475-I477 HydrophobicContact CD1-CG1 3.76Å; F475-I477 HydrophobicContact CE1-CG1 3.86Å
476	L	87.3	Confident	83.3	Confident	86 Å²	86	62.8 Å²	62.8	45%	0.45	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118	172	172.2	64.7	0	0	0	108.5	V436 N478	V436-L476 HydrophobicContact CG2-CD1 3.67Å; L476-N478 WeakPolarHBondContact CD1-OD1 3.34Å; L476-N478 WeakPolarHBondContact CG-OD1 3.34Å
477	I	87.8	Confident	83.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.9	167.8	-44	171.4	0	0	0	107.1	S434 A435 I437 Y455 F475 L480 L488 F512	S434-I477 CarbonylContact C-O 3.57Å; S434-I477 WeakPolarHBondContact CA-O 3.09Å; S434-I477 VanDerWaalsContact CB-O 3.29Å; S434-I477 WeakPolarHBondContact CB-O 3.31Å; A435-I477 PolarHBondContact N-O 2.82Å; A435-I477 PolarHBondContact O-N 3.21Å; I437-I477 HydrophobicContact CD1-CD1 4.03Å; I437-I477 HydrophobicContact CG1-CD1 3.77Å; I437-I477 HydrophobicContact CG1-CG1 4.2Å; Y455-I477 HydrophobicContact CE1-CG2 4.39Å; Y455-I477 HydrophobicContact CE2-CG2 4.06Å; F475-I477 HydrophobicContact CD1-CG1 3.76Å; F475-I477 HydrophobicContact CE1-CG1 3.86Å; I477-L480 HydrophobicContact CB-CD1 4.49Å; I477-L480 HydrophobicContact CG2-CD1 4.4Å; I477-L480 HydrophobicContact CG2-CD2 3.75Å; I477-L480 HydrophobicContact CG2-CG 4.03Å; I477-L488 HydrophobicContact CD1-CD1 3.36Å; I477-F512 HydrophobicContact CD1-CZ 4.39Å
478	N	84.6	Confident	83.8	Confident	74 Å²	74	56.8 Å²	56.8	40%	0.396	32%	0.324	S	S	.	.			trans	-114.9	174.7	171.1	-67	-26.2	0	0	0	109.3	S433 L476 L480	S433-N478 CarbonylContact O-C 3.57Å; L476-N478 WeakPolarHBondContact CD1-OD1 3.34Å; L476-N478 WeakPolarHBondContact CG-OD1 3.34Å; N478-L480 PolarHBondContact O-N 3.06Å
479	D	79.9	Confident	84	Confident	150 Å²	150	58.2 Å²	58.2	80%	0.802	34%	0.335	S	S	*	.	S	Bend	trans	61.5	29.7	173.8	-44.5	-56.9	0	0	0	113.5	S433	S433-D479 PolarHBondContact O-N 3.41Å
480	L	84.1	Confident	84.1	Confident	12 Å²	12	54.5 Å²	54.5	6%	0.063	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-72.1	151.4	168.8	-60.7	172.7	0	0	0	110.4	S433 A435 Y455 I477 N478 Y486 F512 T514	S433-L480 WeakPolarHBondContact CA-O 3.4Å; S433-L480 PolarHBondContact O-N 3.26Å; A435-L480 HydrophobicContact CB-CD1 3.73Å; Y455-L480 HydrophobicContact CE2-CD2 4.27Å; I477-L480 HydrophobicContact CB-CD1 4.49Å; I477-L480 HydrophobicContact CG2-CD1 4.4Å; I477-L480 HydrophobicContact CG2-CD2 3.75Å; I477-L480 HydrophobicContact CG2-CG 4.03Å; N478-L480 PolarHBondContact O-N 3.06Å; L480-Y486 HydrophobicContact CB-CE2 4.16Å; L480-Y486 HydrophobicContact CD2-CD1 4.1Å; L480-Y486 HydrophobicContact CD2-CD2 4.39Å; L480-Y486 HydrophobicContact CD2-CE1 3.71Å; L480-Y486 HydrophobicContact CD2-CE2 4.02Å; L480-Y486 HydrophobicContact CD2-CG 4.43Å; L480-F512 HydrophobicContact CD1-CE2 3.92Å; L480-F512 HydrophobicContact CD1-CZ 4.24Å; L480-T514 HydrophobicContact CB-CG2 4.01Å; L480-T514 HydrophobicContact CD1-CG2 4.01Å
481	A	82.9	Confident	84.5	Confident	34 Å²	34	52.9 Å²	52.9	28%	0.281	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-84.6	137.7	173.1	0	0	0	0	0	110.9	S432 R484 Y486 T514	S432-A481 CarbonylContact O-C 3.33Å; A481-R484 HydrophobicContact CB-CG 4.07Å; A481-Y486 PolarHBondContact N-OH 3.12Å; A481-T514 PolarHBondContact O-OG1 3.1Å
482	A	83.9	Confident	84.8	Confident	44 Å²	44	47.2 Å²	47.2	36%	0.364	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	143	179.7	0	0	0	0	0	112.5	S432 A515 E517	S432-A482 WeakPolarHBondContact O-CA 3.29Å; S432-A482 PolarHBondContact O-N 3.06Å; A482-A515 WeakPolarHBondContact CB-O 3.38Å; A482-E517 HydrophobicContact CB-CB 3.7Å
483	G	82.2	Confident	84.9	Confident	34 Å²	34	46 Å²	46	35%	0.351	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	36.9	179.2	0	0	0	0	0	114.3	T514 A515	G483-T514 PolarHBondContact N-OG1 2.85Å; G483-A515 PolarHBondContact N-O 2.71Å; G483-A515 VanDerWaalsContact N-O 3.14Å
484	R	85.4	Confident	84.9	Confident	77 Å²	77	43.4 Å²	43.4	29%	0.291	24%	0.242	S	C	.	.			trans	-125.6	151	176.4	-67.7	-158.3	-173	176.6	-8.1	112.2	S457 D460 A481 Y486 H513 T514	S457-R484 VanDerWaalsContact OG-CD 3.25Å; S457-R484 WeakPolarHBondContact OG-CD 3.07Å; D460-R484 IonicContact OD1-CZ 3.85Å; D460-R484 IonicContact OD1-NH1 2.7Å; D460-R484 PolarHBondContact OD1-NH1 2.99Å; D460-R484 IonicContact OD1-NH2 3.17Å; D460-R484 IonicContact OD2-NH1 2.76Å; D460-R484 PolarHBondContact OD2-NH1 2.75Å; A481-R484 HydrophobicContact CB-CG 4.07Å; R484-Y486 HydrophobicContact CB-CD2 4.38Å; R484-Y486 HydrophobicContact CB-CE2 3.81Å; R484-H513 CarbonylContact O-C 3.11Å; R484-H513 WeakPolarHBondContact O-CA 3.31Å; R484-T514 PolarHBondContact N-OG1 2.8Å; R484-T514 PolarHBondContact O-N 3.15Å; R484-T514 PolarHBondContact O-OG1 2.8Å
485	E	88.8	Confident	84.3	Confident	85 Å²	85	42.2 Å²	42.2	40%	0.397	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	142.7	169	-172.2	164.4	-137.5	0	0	110.8	S457 T458	S457-E485 WeakPolarHBondContact CA-O 3.47Å; S457-E485 PolarHBondContact OG-O 3.25Å; T458-E485 HydrophobicContact CG2-CB 3.93Å; T458-E485 HydrophobicContact CG2-CG 4.24Å; T458-E485 PolarHBondContact N-O 2.89Å
486	Y	87.9	Confident	83.3	Confident	10 Å²	10	42.3 Å²	42.3	4%	0.039	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126.5	-177.6	-76.9	-84.3	0	0	0	110.5	Y455 N456 S457 L480 A481 R484 Q511 F512 T514	Y455-Y486 HydrophobicContact CD2-CD1 4.35Å; N456-Y486 WeakPolarHBondContact O-CA 3.37Å; N456-Y486 WeakPolarHBondContact O-CD1 3.23Å; S457-Y486 VanDerWaalsContact CB-CE1 3.5Å; L480-Y486 HydrophobicContact CB-CE2 4.16Å; L480-Y486 HydrophobicContact CD2-CD1 4.1Å; L480-Y486 HydrophobicContact CD2-CD2 4.39Å; L480-Y486 HydrophobicContact CD2-CE1 3.71Å; L480-Y486 HydrophobicContact CD2-CE2 4.02Å; L480-Y486 HydrophobicContact CD2-CG 4.43Å; A481-Y486 PolarHBondContact N-OH 3.12Å; R484-Y486 HydrophobicContact CB-CD2 4.38Å; R484-Y486 HydrophobicContact CB-CE2 3.81Å; Y486-Q511 WeakPolarHBondContact O-CA 3.45Å; Y486-F512 HydrophobicContact CD2-CE2 4.18Å; Y486-F512 HydrophobicContact CG-CE2 4.24Å; Y486-F512 HydrophobicContact CG-CZ 4.21Å; Y486-F512 PolarHBondContact N-O 3.45Å; Y486-F512 PolarHBondContact O-N 2.98Å; Y486-T514 HydrophobicContact CD2-CG2 3.96Å; Y486-T514 HydrophobicContact CE2-CG2 3.83Å
487	D	87.9	Confident	82.1	Confident	62 Å²	62	42.2 Å²	42.2	33%	0.332	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	133	168.7	-76.1	-18.3	0	0	0	108.9	Y455 N456 Q511	Y455-D487 WeakPolarHBondContact CA-O 3.15Å; Y455-D487 WeakPolarHBondContact CB-O 3.17Å; N456-D487 PolarHBondContact N-O 2.96Å; N456-D487 VanDerWaalsContact N-O 3.16Å; N456-D487 PolarHBondContact O-N 2.95Å; N456-D487 VanDerWaalsContact O-N 3.08Å; D487-Q511 WeakPolarHBondContact OD1-CG 3.05Å; D487-Q511 PolarHBondContact OD1-NE2 3.06Å
488	L	89.6	Confident	80.8	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	133.4	-179.7	-178.2	147.3	0	0	0	112.1	V425 I437 I453 Q454 I477 V490 C509 V510 F512	V425-L488 HydrophobicContact CG1-CD2 4.48Å; I437-L488 HydrophobicContact CD1-CD1 3.83Å; I437-L488 HydrophobicContact CD1-CD2 4.41Å; I437-L488 HydrophobicContact CG1-CD1 3.76Å; I437-L488 HydrophobicContact CG1-CD2 4.35Å; I437-L488 HydrophobicContact CG2-CD2 3.97Å; I453-L488 HydrophobicContact CG2-CD1 3.7Å; I453-L488 HydrophobicContact CG2-CD2 4.14Å; I453-L488 HydrophobicContact CG2-CG 3.86Å; Q454-L488 CarbonylContact O-C 3.57Å; Q454-L488 WeakPolarHBondContact O-CA 3.11Å; I477-L488 HydrophobicContact CD1-CD1 3.36Å; L488-V490 HydrophobicContact CD2-CG2 3.89Å; L488-C509 CarbonylContact O-C 3.5Å; L488-C509 WeakPolarHBondContact O-CA 3.43Å; L488-C509 VanDerWaalsContact O-CB 3.27Å; L488-C509 WeakPolarHBondContact O-CB 3.22Å; L488-V510 HydrophobicContact CB-CG1 4.4Å; L488-V510 HydrophobicContact CD2-CG1 4.07Å; L488-V510 PolarHBondContact N-O 3.41Å; L488-V510 PolarHBondContact O-N 3.08Å; L488-F512 HydrophobicContact CB-CE1 4.17Å; L488-F512 HydrophobicContact CD1-CE1 4.36Å
489	C	87.3	Confident	79.7	Confident	40 Å²	40	49.6 Å²	49.6	27%	0.27	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.5	172.1	-69.8	0	0	0	0	111.6	I453 Q454 L491 C509	I453-C489 WeakPolarHBondContact CA-O 3.27Å; Q454-C489 PolarHBondContact N-O 3.28Å; Q454-C489 PolarHBondContact O-N 3.49Å; C489-L491 HydrophobicContact CB-CD1 4.37Å; C489-C509 HydrophobicContact CB-CB 4.07Å; C489-C509 WeakPolarHBondContact CB-SG 3.48Å; C489-C509 WeakPolarHBondContact SG-CB 3.45Å; C489-C509 CovalentContact SG-SG 2.04Å; C489-C509 PolarHBondContact SG-SG 3.09Å
490	V	85.8	Confident	78.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.6	171	-173.6	0	0	0	0	108.4	V425 I437 W439 Y451 I453 L488 V507 G508	V425-V490 HydrophobicContact CG1-CG2 3.92Å; V425-V490 HydrophobicContact CG2-CB 4.17Å; V425-V490 HydrophobicContact CG2-CG2 3.95Å; I437-V490 HydrophobicContact CG2-CG2 4.37Å; W439-V490 HydrophobicContact CD2-CG1 4.15Å; W439-V490 HydrophobicContact CE3-CG2 4.39Å; W439-V490 HydrophobicContact CG-CG1 4.33Å; Y451-V490 HydrophobicContact CD1-CG1 4.26Å; I453-V490 HydrophobicContact CD1-CG2 4.27Å; I453-V490 HydrophobicContact CG1-CG1 4.35Å; I453-V490 HydrophobicContact CG1-CG2 4.14Å; L488-V490 HydrophobicContact CD2-CG2 3.89Å; V490-V507 HydrophobicContact CB-CB 4.34Å; V490-V507 HydrophobicContact CG1-CB 4.28Å; V490-V507 HydrophobicContact CG1-CG2 4.42Å; V490-V507 WeakPolarHBondContact O-CB 3.48Å; V490-V507 PolarHBondContact O-N 3.14Å; V490-G508 PolarHBondContact N-O 3.12Å; V490-G508 PolarHBondContact O-N 3.21Å
491	L	85.4	Confident	77.6	Confident	17 Å²	17	52.7 Å²	52.7	9%	0.089	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.4	176	-54.8	92.2	0	0	0	110	Y451 Q452 Q454 C489 R505 V506	Y451-L491 CarbonylContact C-O 3.58Å; Y451-L491 VanDerWaalsContact CA-O 3.27Å; Y451-L491 WeakPolarHBondContact CA-O 3.44Å; Q452-L491 HydrophobicContact CB-CB 4.46Å; Q452-L491 PolarHBondContact N-O 2.98Å; Q452-L491 PolarHBondContact O-N 2.86Å; Q454-L491 HydrophobicContact CG-CD1 3.93Å; C489-L491 HydrophobicContact CB-CD1 4.37Å; L491-R505 CarbonylContact C-O 3.55Å; L491-R505 VanDerWaalsContact CA-O 3.3Å; L491-R505 WeakPolarHBondContact CA-O 3.12Å; L491-V506 HydrophobicContact CD2-CG2 3.99Å; L491-V506 HydrophobicContact CG-CG2 4.23Å
492	A	82.8	Confident	77	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.3	169.1	0	0	0	0	0	109	I445 I448 Y451 T504 R505 V507	I445-A492 HydrophobicContact CD1-CB 4.07Å; I448-A492 HydrophobicContact CD1-CB 4.43Å; I448-A492 HydrophobicContact CG2-CB 4.38Å; Y451-A492 HydrophobicContact CD1-CB 4.01Å; Y451-A492 HydrophobicContact CE1-CB 3.84Å; A492-T504 WeakPolarHBondContact O-CA 3.43Å; A492-R505 PolarHBondContact N-O 2.82Å; A492-R505 PolarHBondContact O-N 2.89Å; A492-V507 HydrophobicContact CB-CG2 3.76Å
493	V	81.3	Confident	76.5	Confident	13 Å²	13	54.6 Å²	54.6	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.5	171	-167.2	0	0	0	0	108	I448 R449 M450 Q452 M467 A503 T504	I448-V493 WeakPolarHBondContact CA-O 3.3Å; R449-V493 PolarHBondContact N-O 2.71Å; M450-V493 HydrophobicContact CG-CB 3.78Å; M450-V493 HydrophobicContact CG-CG1 4.45Å; M450-V493 HydrophobicContact CG-CG2 3.91Å; M450-V493 PolarHBondContact N-O 3.49Å; M450-V493 PolarHBondContact O-N 3.32Å; Q452-V493 HydrophobicContact CB-CG2 4.35Å; M467-V493 HydrophobicContact CE-CG2 4.14Å; V493-A503 WeakPolarHBondContact CA-O 3.32Å; V493-T504 HydrophobicContact CG2-CG2 4.31Å
494	Y	78.1	Confident	76.4	Confident	54 Å²	54	57 Å²	57	21%	0.212	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.3	-177.7	68	-77.3	0	0	0	111	I445 G447 D496 A503 R505	I445-Y494 HydrophobicContact CG2-CD1 4.17Å; I445-Y494 HydrophobicContact CG2-CD2 4.33Å; I445-Y494 HydrophobicContact CG2-CG 3.88Å; G447-Y494 VanDerWaalsContact O-CA 3.29Å; G447-Y494 WeakPolarHBondContact O-CA 3.42Å; Y494-D496 PolarHBondContact O-N 2.82Å; Y494-A503 HydrophobicContact CD1-CB 4.29Å; Y494-A503 VanDerWaalsContact CD1-O 3.31Å; Y494-A503 WeakPolarHBondContact CD1-O 3.41Å; Y494-A503 HydrophobicContact CE1-CB 3.7Å; Y494-A503 HydrophobicContact CE2-CB 4.01Å; Y494-A503 PolarHBondContact N-O 2.83Å; Y494-A503 PolarHBondContact O-N 2.98Å; Y494-R505 HydrophobicContact CD1-CB 4.47Å; Y494-R505 HydrophobicContact CE1-CB 3.9Å
495	D	71.5	Confident	76.1	Confident	51 Å²	51	59.9 Å²	59.9	27%	0.273	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	120.4	171.2	-67.5	-24.8	0	0	0	108.9	G447 R449 G497	G447-D495 PolarHBondContact O-N 3.24Å; R449-D495 IonicContact CZ-OD1 3.17Å; R449-D495 IonicContact CZ-OD2 2.57Å; R449-D495 IonicContact NE-OD1 2.79Å; R449-D495 PolarHBondContact NE-OD1 3.02Å; R449-D495 IonicContact NE-OD2 2.67Å; R449-D495 PolarHBondContact NE-OD2 2.88Å; R449-D495 VanDerWaalsContact NH2-CG 3.26Å; R449-D495 IonicContact NH2-OD1 2.74Å; R449-D495 PolarHBondContact NH2-OD1 3.09Å; R449-D495 VanDerWaalsContact NH2-OD1 3.08Å; R449-D495 IonicContact NH2-OD2 3.58Å; R449-D495 PolarHBondContact NH2-OD2 2.89Å; D495-G497 PolarHBondContact O-N 2.94Å
496	D	65.8	Low	75.7	Confident	43 Å²	43	59.9 Å²	59.9	23%	0.23	35%	0.351	C	S	.	.			trans	-74.4	109.4	170	173.3	53.4	0	0	0	109.6	Y494 I498 T499 S500 L501 A503	Y494-D496 PolarHBondContact O-N 2.82Å; D496-I498 PolarHBondContact O-N 2.94Å; D496-T499 PolarHBondContact O-N 2.86Å; D496-T499 VanDerWaalsContact O-N 3.17Å; D496-T499 WeakPolarHBondContact OD2-CB 3.37Å; D496-T499 WeakPolarHBondContact OD2-CG2 3.4Å; D496-T499 PolarHBondContact OD2-N 3.36Å; D496-T499 VanDerWaalsContact OD2-N 3.08Å; D496-T499 PolarHBondContact OD2-OG1 3.11Å; D496-S500 PolarHBondContact O-N 2.86Å; D496-L501 PolarHBondContact N-O 2.84Å; D496-A503 HydrophobicContact CB-CB 4.41Å
497	G	60.7	Low	75.3	Confident	84 Å²	84	60.7 Å²	60.7	87%	0.866	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-2.3	-172.6	0	0	0	0	0	115.8	D495	D495-G497 PolarHBondContact O-N 2.94Å
498	I	60.8	Low	75.1	Confident	158 Å²	158	58.6 Å²	58.6	81%	0.81	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-39	176.5	-60.8	172	0	0	0	110.7	D496	D496-I498 PolarHBondContact O-N 2.94Å
499	T	61.3	Low	74.8	Confident	71 Å²	71	61.8 Å²	61.8	44%	0.436	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-13.5	-174.8	60	0	0	0	0	114.7	D496 L501	D496-T499 PolarHBondContact O-N 2.86Å; D496-T499 VanDerWaalsContact O-N 3.17Å; D496-T499 WeakPolarHBondContact OD2-CB 3.37Å; D496-T499 WeakPolarHBondContact OD2-CG2 3.4Å; D496-T499 PolarHBondContact OD2-N 3.36Å; D496-T499 VanDerWaalsContact OD2-N 3.08Å; D496-T499 PolarHBondContact OD2-OG1 3.11Å; T499-L501 PolarHBondContact O-N 3.34Å; T499-L501 VanDerWaalsContact O-N 3.15Å
500	S	60.1	Low	74.8	Confident	108 Å²	108	61.2 Å²	61.2	76%	0.755	37%	0.367	S	S	*	.			trans	59.6	11.6	-171.8	70.6	0	0	0	0	115.5	D496	D496-S500 PolarHBondContact O-N 2.86Å
501	L	60.6	Low	74.9	Confident	120 Å²	120	67.6 Å²	67.6	63%	0.628	40%	0.396	S	S	*	.			trans	-89.5	149.8	174.4	-65.2	171.4	0	0	0	110.3	D496 T499 A503	D496-L501 PolarHBondContact N-O 2.84Å; T499-L501 PolarHBondContact O-N 3.34Å; T499-L501 VanDerWaalsContact O-N 3.15Å; L501-A503 PolarHBondContact O-N 3.38Å
502	T	69.4	Low	75	Confident	90 Å²	90	67.5 Å²	67.5	55%	0.552	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	113.4	175.2	51.6	0	0	0	0	110.2
503	A	74.8	Confident	75.2	Confident	27 Å²	27	72.5 Å²	72.5	22%	0.223	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	148.8	177.7	0	0	0	0	0	111.6	V493 Y494 D496 L501	V493-A503 WeakPolarHBondContact CA-O 3.32Å; Y494-A503 HydrophobicContact CD1-CB 4.29Å; Y494-A503 VanDerWaalsContact CD1-O 3.31Å; Y494-A503 WeakPolarHBondContact CD1-O 3.41Å; Y494-A503 HydrophobicContact CE1-CB 3.7Å; Y494-A503 HydrophobicContact CE2-CB 4.01Å; Y494-A503 PolarHBondContact N-O 2.83Å; Y494-A503 PolarHBondContact O-N 2.98Å; D496-A503 HydrophobicContact CB-CB 4.41Å; L501-A503 PolarHBondContact O-N 3.38Å
504	T	79.4	Confident	75.5	Confident	86 Å²	86	71.9 Å²	71.9	53%	0.528	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124	179.7	56.7	0	0	0	0	111.3	A492 V493	A492-T504 WeakPolarHBondContact O-CA 3.43Å; V493-T504 HydrophobicContact CG2-CG2 4.31Å
505	R	78.8	Confident	75.6	Confident	137 Å²	137	71.9 Å²	71.9	52%	0.517	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.3	175.5	-170.2	178.2	-158.5	151.5	6.8	110.7	L491 A492 Y494 V507	L491-R505 CarbonylContact C-O 3.55Å; L491-R505 VanDerWaalsContact CA-O 3.3Å; L491-R505 WeakPolarHBondContact CA-O 3.12Å; A492-R505 PolarHBondContact N-O 2.82Å; A492-R505 PolarHBondContact O-N 2.89Å; Y494-R505 HydrophobicContact CD1-CB 4.47Å; Y494-R505 HydrophobicContact CE1-CB 3.9Å; R505-V507 PolarHBondContact O-N 3.3Å
506	V	80.8	Confident	75.8	Confident	85 Å²	85	73.6 Å²	73.6	52%	0.515	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	121.7	174.3	-178	0	0	0	0	109.5	L491	L491-V506 HydrophobicContact CD2-CG2 3.99Å; L491-V506 HydrophobicContact CG-CG2 4.23Å
507	V	79.9	Confident	75.9	Confident	27 Å²	27	77.3 Å²	77.3	16%	0.164	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-31.9	173.9	-177.8	0	0	0	0	110.2	W439 Y451 V490 A492 R505	W439-V507 HydrophobicContact CB-CG1 4.43Å; Y451-V507 HydrophobicContact CD1-CG2 4.23Å; Y451-V507 HydrophobicContact CE1-CG2 4.01Å; V490-V507 HydrophobicContact CB-CB 4.34Å; V490-V507 HydrophobicContact CG1-CB 4.28Å; V490-V507 HydrophobicContact CG1-CG2 4.42Å; V490-V507 WeakPolarHBondContact O-CB 3.48Å; V490-V507 PolarHBondContact O-N 3.14Å; A492-V507 HydrophobicContact CB-CG2 3.76Å; R505-V507 PolarHBondContact O-N 3.3Å
508	G	82.3	Confident	75.6	Confident	18 Å²	18	79.4 Å²	79.4	19%	0.186	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.3	169.6	170.1	0	0	0	0	0	111.5	V490	V490-G508 PolarHBondContact N-O 3.12Å; V490-G508 PolarHBondContact O-N 3.21Å
509	C	84.9	Confident	75.1	Confident	68 Å²	68	76.2 Å²	76.2	46%	0.459	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	156.2	174.4	-51.2	0	0	0	0	110.3	L488 C489	L488-C509 CarbonylContact O-C 3.5Å; L488-C509 WeakPolarHBondContact O-CA 3.43Å; L488-C509 VanDerWaalsContact O-CB 3.27Å; L488-C509 WeakPolarHBondContact O-CB 3.22Å; C489-C509 HydrophobicContact CB-CB 4.07Å; C489-C509 WeakPolarHBondContact CB-SG 3.48Å; C489-C509 WeakPolarHBondContact SG-CB 3.45Å; C489-C509 CovalentContact SG-SG 2.04Å; C489-C509 PolarHBondContact SG-SG 3.09Å
510	V	86.2	Confident	74.2	Confident	29 Å²	29	80.3 Å²	80.3	18%	0.176	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	139.6	178	65.6	0	0	0	0	109.1	V425 V427 L488	V425-V510 HydrophobicContact CG1-CB 4.46Å; V425-V510 HydrophobicContact CG1-CG1 3.91Å; V427-V510 HydrophobicContact CG2-CG1 3.87Å; V427-V510 HydrophobicContact CG2-CG2 3.94Å; L488-V510 HydrophobicContact CB-CG1 4.4Å; L488-V510 HydrophobicContact CD2-CG1 4.07Å; L488-V510 PolarHBondContact N-O 3.41Å; L488-V510 PolarHBondContact O-N 3.08Å
511	Q	88.1	Confident	73.3	Confident	133 Å²	133	81.1 Å²	81.1	62%	0.621	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.7	175.6	-47.7	-174.5	-91.7	0	0	107.9	Y486 D487	Y486-Q511 WeakPolarHBondContact O-CA 3.45Å; D487-Q511 WeakPolarHBondContact OD1-CG 3.05Å; D487-Q511 PolarHBondContact OD1-NE2 3.06Å
512	F	86.8	Confident	72.3	Confident	15 Å²	15	85.6 Å²	85.6	7%	0.066	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.3	179	66.7	-88.6	0	0	0	112.5	V427 L430 A435 I437 I477 L480 Y486 L488 T514	V427-F512 HydrophobicContact CG2-CB 4.05Å; V427-F512 HydrophobicContact CG2-CD1 3.73Å; V427-F512 HydrophobicContact CG2-CE1 4.43Å; V427-F512 HydrophobicContact CG2-CG 3.99Å; L430-F512 HydrophobicContact CD1-CD2 3.56Å; L430-F512 HydrophobicContact CD1-CE2 3.83Å; L430-F512 HydrophobicContact CD2-CB 4.24Å; L430-F512 HydrophobicContact CD2-CD2 4.08Å; A435-F512 HydrophobicContact CB-CD2 4.44Å; A435-F512 HydrophobicContact CB-CE2 3.71Å; A435-F512 HydrophobicContact CB-CZ 3.86Å; I437-F512 HydrophobicContact CD1-CE1 4.19Å; I477-F512 HydrophobicContact CD1-CZ 4.39Å; L480-F512 HydrophobicContact CD1-CE2 3.92Å; L480-F512 HydrophobicContact CD1-CZ 4.24Å; Y486-F512 HydrophobicContact CD2-CE2 4.18Å; Y486-F512 HydrophobicContact CG-CE2 4.24Å; Y486-F512 HydrophobicContact CG-CZ 4.21Å; Y486-F512 PolarHBondContact N-O 3.45Å; Y486-F512 PolarHBondContact O-N 2.98Å; L488-F512 HydrophobicContact CB-CE1 4.17Å; L488-F512 HydrophobicContact CD1-CE1 4.36Å; F512-T514 HydrophobicContact CE2-CG2 4.46Å
513	H	87.8	Confident	70.6	Confident	105 Å²	105	91 Å²	91	49%	0.486	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.9	-176.6	-179.5	-67.6	0	0	0	110.5	L430 R484	L430-H513 WeakPolarHBondContact CD2-O 3.37Å; R484-H513 CarbonylContact O-C 3.11Å; R484-H513 WeakPolarHBondContact O-CA 3.31Å
514	T	86.8	Confident	68.8	Low	0 Å²	0	96.9 Å²	96.9	0%	0	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-65.5	150.5	-179	54	0	0	0	0	111.8	L430 L480 A481 G483 R484 Y486 F512 S516	L430-T514 HydrophobicContact CD1-CG2 4.29Å; L480-T514 HydrophobicContact CB-CG2 4.01Å; L480-T514 HydrophobicContact CD1-CG2 4.01Å; A481-T514 PolarHBondContact O-OG1 3.1Å; G483-T514 PolarHBondContact N-OG1 2.85Å; R484-T514 PolarHBondContact N-OG1 2.8Å; R484-T514 PolarHBondContact O-N 3.15Å; R484-T514 PolarHBondContact O-OG1 2.8Å; Y486-T514 HydrophobicContact CD2-CG2 3.96Å; Y486-T514 HydrophobicContact CE2-CG2 3.83Å; F512-T514 HydrophobicContact CE2-CG2 4.46Å; T514-S516 PolarHBondContact O-N 3.05Å
515	A	80.4	Confident	67	Low	55 Å²	55	100.1 Å²	100.1	46%	0.455	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-62.8	139.4	176.8	0	0	0	0	0	110.7	T431 S432 A482 G483 E517	T431-A515 PolarHBondContact O-N 3.45Å; T431-A515 VanDerWaalsContact O-N 3.08Å; S432-A515 WeakPolarHBondContact CA-O 3.15Å; S432-A515 WeakPolarHBondContact CB-O 3.46Å; A482-A515 WeakPolarHBondContact CB-O 3.38Å; G483-A515 PolarHBondContact N-O 2.71Å; G483-A515 VanDerWaalsContact N-O 3.14Å; A515-E517 PolarHBondContact O-N 3.45Å
516	S	76.3	Confident	65.2	Low	87 Å²	87	98.2 Å²	98.2	61%	0.608	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-74.3	116.5	174.4	45.8	0	0	0	0	110.2	T514 V518	T514-S516 PolarHBondContact O-N 3.05Å; S516-V518 PolarHBondContact O-N 2.03Å
517	E	67.1	Low	63.8	Low	121 Å²	121	102.1 Å²	102.1	57%	0.565	54%	0.544	S	S	*	.			trans	-80.1	95.4	-179.3	-168.3	160.5	157.3	0	0	110.1	S432 A482 A515 S519	S432-E517 WeakPolarHBondContact CB-OE2 3.37Å; S432-E517 PolarHBondContact OG-OE2 2.82Å; A482-E517 HydrophobicContact CB-CB 3.7Å; A515-E517 PolarHBondContact O-N 3.45Å; E517-S519 PolarHBondContact O-N 3.34Å
518	V	54.4	Low	62.1	Low	127 Å²	127	108.1 Å²	108.1	77%	0.77	57%	0.568	S	S	*	*			trans	-70.5	76.6	173.3	-173.3	0	0	0	0	109	S516 Q520	S516-V518 PolarHBondContact O-N 2.03Å; V518-Q520 PolarHBondContact O-N 3Å
519	S	50.8	Low	60.6	Low	91 Å²	91	113 Å²	113	64%	0.636	59%	0.589	S	S	*	*			trans	-64.5	95.1	173.6	40	0	0	0	0	109.3	E517 C521	E517-S519 PolarHBondContact O-N 3.34Å; S519-C521 PolarHBondContact O-N 2.99Å; S519-C521 VanDerWaalsContact O-N 3.07Å
520	Q	42.9	Very low	58.9	Low	157 Å²	157	111.7 Å²	111.7	73%	0.734	59%	0.587	S	S	*	*			trans	-53	118.7	163.1	-78.3	-172.1	-16	0	0	107.9	V518 R522	V518-Q520 PolarHBondContact O-N 3Å; Q520-R522 PolarHBondContact O-N 2.95Å
521	C	41.7	Very low	57.6	Low	125 Å²	125	112 Å²	112	85%	0.845	60%	0.596	S	S	*	*			trans	-65.7	72.7	177.4	-73.8	0	0	0	0	111.9	S519 F523	S519-C521 PolarHBondContact O-N 2.99Å; S519-C521 VanDerWaalsContact O-N 3.07Å; C521-F523 PolarHBondContact O-N 2.85Å; C521-F523 VanDerWaalsContact O-N 3.12Å
522	R	38.8	Very low	56.2	Low	215 Å²	215	108.4 Å²	108.4	81%	0.811	58%	0.583	S	S	*	*			trans	-66.6	107.2	161.1	-73.2	-171.1	173.9	-163.3	-2.1	107	Q520 I524	Q520-R522 PolarHBondContact O-N 2.95Å; R522-I524 PolarHBondContact O-N 2.84Å
523	F	34.6	Very low	55	Low	203 Å²	203	112.3 Å²	112.3	89%	0.89	60%	0.603	S	S	*	*			trans	-45.6	124.5	169	-106.5	-100.4	0	0	0	109.5	C521 H525	C521-F523 PolarHBondContact O-N 2.85Å; C521-F523 VanDerWaalsContact O-N 3.12Å; F523-H525 PolarHBondContact O-N 2.82Å; F523-H525 VanDerWaalsContact O-N 3.08Å
524	I	37	Very low	54.2	Low	151 Å²	151	113.2 Å²	113.2	77%	0.774	61%	0.61	S	S	*	*			trans	-57.5	118.8	167.7	-64.8	173.4	0	0	0	106.3	R522 S526	R522-I524 PolarHBondContact O-N 2.84Å; I524-S526 PolarHBondContact O-N 3.37Å
525	H	39.7	Very low	53.7	Low	153 Å²	153	119.3 Å²	119.3	71%	0.708	64%	0.641	S	S	*	*			trans	-73.7	74.4	176.8	-171.1	85	0	0	0	109.2	F523	F523-H525 PolarHBondContact O-N 2.82Å; F523-H525 VanDerWaalsContact O-N 3.08Å
526	S	42.1	Very low	53.6	Low	97 Å²	97	121 Å²	121	68%	0.678	64%	0.642	S	S	*	*			trans	-58.4	138.8	170.1	56.2	0	0	0	0	109.1	I524 F528	I524-S526 PolarHBondContact O-N 3.37Å; S526-F528 PolarHBondContact O-N 2.96Å
527	Q	50.3	Low	53.9	Low	168 Å²	168	121.5 Å²	121.5	79%	0.785	64%	0.636	S	S	*	*			trans	-60.8	115.3	-156.1	-67.3	-174.1	-9.7	0	0	113.1	L529 G530	Q527-L529 PolarHBondContact O-N 2.92Å; Q527-G530 PolarHBondContact O-N 3.31Å
528	F	44.8	Very low	54.6	Low	152 Å²	152	117.1 Å²	117.1	67%	0.667	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	34	-179.5	-152.9	-96.7	0	0	0	113.8	S526	S526-F528 PolarHBondContact O-N 2.96Å
529	L	50.4	Low	56.1	Low	122 Å²	122	113 Å²	113	64%	0.639	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-18.9	166.8	-81.1	91.9	0	0	0	112.7	Q527 T532 M533	Q527-L529 PolarHBondContact O-N 2.92Å; L529-T532 PolarHBondContact O-OG1 2.82Å; L529-M533 WeakPolarHBondContact O-CB 3.27Å; L529-M533 WeakPolarHBondContact O-CG 3.35Å; L529-M533 PolarHBondContact O-N 3.22Å
530	G	50.6	Low	58	Low	39 Å²	39	113.8 Å²	113.8	40%	0.402	60%	0.603	S	S	.	*	H	α-helix	trans	-64.9	-51	177	0	0	0	0	0	112.7	Q527 T532 M533 I534	Q527-G530 PolarHBondContact O-N 3.31Å; G530-T532 PolarHBondContact O-N 3.17Å; G530-M533 PolarHBondContact O-N 3.35Å; G530-I534 WeakPolarHBondContact O-CD1 3.49Å; G530-I534 VanDerWaalsContact O-CG1 3.27Å; G530-I534 WeakPolarHBondContact O-CG1 3.32Å; G530-I534 PolarHBondContact O-N 2.87Å
531	G	57.4	Low	60.3	Low	36 Å²	36	110.9 Å²	110.9	37%	0.371	59%	0.592	S	S	.	*	H	α-helix	trans	-63.3	-44.1	-174.8	0	0	0	0	0	113.9	I534 I535	G531-I534 PolarHBondContact O-N 2.68Å; G531-I535 VanDerWaalsContact O-CG1 3.29Å; G531-I535 WeakPolarHBondContact O-CG1 3.4Å; G531-I535 PolarHBondContact O-N 3.48Å
532	T	60.3	Low	62.7	Low	58 Å²	58	109.3 Å²	109.3	36%	0.356	58%	0.578	S	S	.	*	H	α-helix	trans	-67	-40.8	178.7	47	0	0	0	0	112.1	L529 G530 I535 I536	L529-T532 PolarHBondContact O-OG1 2.82Å; G530-T532 PolarHBondContact O-N 3.17Å; T532-I535 PolarHBondContact O-N 3.38Å; T532-I536 WeakPolarHBondContact O-CB 3.2Å; T532-I536 WeakPolarHBondContact O-CD1 3.05Å; T532-I536 VanDerWaalsContact O-CG1 3.26Å; T532-I536 WeakPolarHBondContact O-CG1 3.28Å; T532-I536 PolarHBondContact O-N 3.24Å
533	M	60	Low	65.1	Low	97 Å²	97	101.6 Å²	101.6	48%	0.478	56%	0.561	S	S	.	*	H	α-helix	trans	-62.8	-43	173.5	-71	-66	103.7	0	0	112.2	L529 G530 I536 I537	L529-M533 WeakPolarHBondContact O-CB 3.27Å; L529-M533 WeakPolarHBondContact O-CG 3.35Å; L529-M533 PolarHBondContact O-N 3.22Å; G530-M533 PolarHBondContact O-N 3.35Å; M533-I536 HydrophobicContact CE-CD1 4.03Å; M533-I536 PolarHBondContact O-N 3.28Å; M533-I537 WeakPolarHBondContact O-CB 3.49Å; M533-I537 WeakPolarHBondContact O-CD1 3.25Å; M533-I537 VanDerWaalsContact O-CG1 3.22Å; M533-I537 WeakPolarHBondContact O-CG1 3Å; M533-I537 PolarHBondContact O-N 3.38Å
534	I	71.1	Confident	67.7	Low	124 Å²	124	95.1 Å²	95.1	64%	0.636	54%	0.54	S	S	*	.	H	α-helix	trans	-62.7	-43.8	177.4	-70	164.8	0	0	0	111.2	G530 G531 G538	G530-I534 WeakPolarHBondContact O-CD1 3.49Å; G530-I534 VanDerWaalsContact O-CG1 3.27Å; G530-I534 WeakPolarHBondContact O-CG1 3.32Å; G530-I534 PolarHBondContact O-N 2.87Å; G531-I534 PolarHBondContact O-N 2.68Å; I534-G538 PolarHBondContact O-N 3.31Å
535	I	76.3	Confident	70.2	Confident	127 Å²	127	91.5 Å²	91.5	65%	0.651	53%	0.525	S	S	*	.	H	α-helix	trans	-65.3	-42.8	178.2	-68.7	165.5	0	0	0	111.3	G531 T532 G539	G531-I535 VanDerWaalsContact O-CG1 3.29Å; G531-I535 WeakPolarHBondContact O-CG1 3.4Å; G531-I535 PolarHBondContact O-N 3.48Å; T532-I535 PolarHBondContact O-N 3.38Å; I535-G539 PolarHBondContact O-N 3.16Å
536	I	78.8	Confident	72.5	Confident	92 Å²	92	88.8 Å²	88.8	47%	0.472	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-46.8	178.9	-70.9	165.8	0	0	0	111.1	T532 M533 G539 I540	T532-I536 WeakPolarHBondContact O-CB 3.2Å; T532-I536 WeakPolarHBondContact O-CD1 3.05Å; T532-I536 VanDerWaalsContact O-CG1 3.26Å; T532-I536 WeakPolarHBondContact O-CG1 3.28Å; T532-I536 PolarHBondContact O-N 3.24Å; M533-I536 HydrophobicContact CE-CD1 4.03Å; M533-I536 PolarHBondContact O-N 3.28Å; I536-G539 PolarHBondContact O-N 2.75Å; I536-I540 HydrophobicContact CG2-CD1 3.88Å; I536-I540 VanDerWaalsContact O-CG1 3.31Å; I536-I540 WeakPolarHBondContact O-CG1 3.45Å; I536-I540 PolarHBondContact O-N 3.48Å
537	I	81.7	Confident	74.9	Confident	96 Å²	96	88.2 Å²	88.2	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-44.3	178.3	-67.8	166.2	0	0	0	110.5	M533 G539 I540 I541	M533-I537 WeakPolarHBondContact O-CB 3.49Å; M533-I537 WeakPolarHBondContact O-CD1 3.25Å; M533-I537 VanDerWaalsContact O-CG1 3.22Å; M533-I537 WeakPolarHBondContact O-CG1 3Å; M533-I537 PolarHBondContact O-N 3.38Å; I537-G539 PolarHBondContact O-N 2.04Å; I537-I540 PolarHBondContact O-N 3.25Å; I537-I541 HydrophobicContact CG2-CD1 3.9Å; I537-I541 WeakPolarHBondContact O-CG1 3.42Å; I537-I541 PolarHBondContact O-N 3.48Å; I537-I541 VanDerWaalsContact O-N 3.07Å
538	G	81.8	Confident	76.7	Confident	30 Å²	30	86.2 Å²	86.2	31%	0.309	50%	0.496	S	S	.	.	H	α-helix	trans	-60.1	-44.2	175	0	0	0	0	0	112.8	I534 I540 I541 V542	I534-G538 PolarHBondContact O-N 3.31Å; G538-I540 PolarHBondContact O-N 3.5Å; G538-I541 PolarHBondContact O-N 2.9Å; G538-V542 WeakPolarHBondContact O-CG2 3.45Å; G538-V542 PolarHBondContact O-N 3.28Å
539	G	87.4	Confident	78.8	Confident	41 Å²	41	82.9 Å²	82.9	42%	0.423	49%	0.485	S	S	.	.	H	α-helix	trans	-61.3	-42.5	176.7	0	0	0	0	0	113.3	I535 I536 I537 V542 A543	I535-G539 PolarHBondContact O-N 3.16Å; I536-G539 PolarHBondContact O-N 2.75Å; I537-G539 PolarHBondContact O-N 2.04Å; G539-V542 PolarHBondContact O-N 3.3Å; G539-A543 VanDerWaalsContact O-CB 3.3Å; G539-A543 WeakPolarHBondContact O-CB 3.33Å; G539-A543 PolarHBondContact O-N 2.78Å
540	I	90.6	Very high	80.6	Confident	107 Å²	107	81.5 Å²	81.5	55%	0.549	48%	0.477	S	S	.	.	H	α-helix	trans	-64.1	-40.9	176.4	-68.2	164.6	0	0	0	111.2	I536 I537 G538 S544	I536-I540 HydrophobicContact CG2-CD1 3.88Å; I536-I540 VanDerWaalsContact O-CG1 3.31Å; I536-I540 WeakPolarHBondContact O-CG1 3.45Å; I536-I540 PolarHBondContact O-N 3.48Å; I537-I540 PolarHBondContact O-N 3.25Å; G538-I540 PolarHBondContact O-N 3.5Å; I540-S544 WeakPolarHBondContact O-CB 3.37Å; I540-S544 PolarHBondContact O-N 2.97Å; I540-S544 PolarHBondContact O-OG 2.91Å
541	I	90.9	Very high	82.2	Confident	96 Å²	96	83.7 Å²	83.7	49%	0.492	48%	0.478	S	S	.	.	H	α-helix	trans	-64.5	-48.3	176.4	-67.7	165.7	0	0	0	110.6	I537 G538 A543 S544 V545	I537-I541 HydrophobicContact CG2-CD1 3.9Å; I537-I541 WeakPolarHBondContact O-CG1 3.42Å; I537-I541 PolarHBondContact O-N 3.48Å; I537-I541 VanDerWaalsContact O-N 3.07Å; G538-I541 PolarHBondContact O-N 2.9Å; I541-A543 PolarHBondContact O-N 3.15Å; I541-S544 PolarHBondContact O-N 2.88Å; I541-S544 PolarHBondContact O-OG 3.49Å; I541-S544 VanDerWaalsContact O-OG 3.08Å; I541-V545 WeakPolarHBondContact O-CB 3.31Å; I541-V545 VanDerWaalsContact O-CG2 3.32Å; I541-V545 WeakPolarHBondContact O-CG2 3.35Å; I541-V545 PolarHBondContact O-N 3.06Å
542	V	92.4	Very high	83.3	Confident	91 Å²	91	86.3 Å²	86.3	55%	0.552	48%	0.483	S	S	*	.	H	α-helix	trans	-62.6	-43.1	179.3	171.6	0	0	0	0	111.6	G538 G539 L546	G538-V542 WeakPolarHBondContact O-CG2 3.45Å; G538-V542 PolarHBondContact O-N 3.28Å; G539-V542 PolarHBondContact O-N 3.3Å; V542-L546 HydrophobicContact CG1-CD1 4.16Å; V542-L546 WeakPolarHBondContact O-CB 3.45Å; V542-L546 PolarHBondContact O-N 3.24Å
543	A	89.4	Confident	84.1	Confident	54 Å²	54	89.6 Å²	89.6	45%	0.446	50%	0.497	S	S	.	.	H	α-helix	trans	-64.3	-43.8	178.2	0	0	0	0	0	112.6	G539 I541 L546 V547	G539-A543 VanDerWaalsContact O-CB 3.3Å; G539-A543 WeakPolarHBondContact O-CB 3.33Å; G539-A543 PolarHBondContact O-N 2.78Å; I541-A543 PolarHBondContact O-N 3.15Å; A543-L546 PolarHBondContact O-N 3.39Å; A543-V547 WeakPolarHBondContact O-CG2 3.29Å; A543-V547 PolarHBondContact O-N 3.49Å
544	S	88.3	Confident	85	Confident	67 Å²	67	90.1 Å²	90.1	47%	0.469	50%	0.5	S	S	.	.	H	α-helix	trans	-69.3	-35.7	179.1	52	0	0	0	0	112.9	I540 I541 V547 F548	I540-S544 WeakPolarHBondContact O-CB 3.37Å; I540-S544 PolarHBondContact O-N 2.97Å; I540-S544 PolarHBondContact O-OG 2.91Å; I541-S544 PolarHBondContact O-N 2.88Å; I541-S544 PolarHBondContact O-OG 3.49Å; I541-S544 VanDerWaalsContact O-OG 3.08Å; S544-V547 PolarHBondContact O-N 2.92Å; S544-F548 WeakPolarHBondContact O-CB 3.45Å; S544-F548 PolarHBondContact O-N 3.14Å
545	V	90.4	Very high	85.1	Confident	75 Å²	75	92.9 Å²	92.9	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-64.3	-43.6	170.8	170.2	0	0	0	0	111.5	I541 F548 I549	I541-V545 WeakPolarHBondContact O-CB 3.31Å; I541-V545 VanDerWaalsContact O-CG2 3.32Å; I541-V545 WeakPolarHBondContact O-CG2 3.35Å; I541-V545 PolarHBondContact O-N 3.06Å; V545-F548 PolarHBondContact O-N 2.87Å; V545-I549 HydrophobicContact CG1-CD1 3.81Å; V545-I549 HydrophobicContact CG1-CG1 4.46Å; V545-I549 WeakPolarHBondContact O-CG1 3.41Å; V545-I549 PolarHBondContact O-N 2.85Å
546	L	88.3	Confident	84.9	Confident	96 Å²	96	95.5 Å²	95.5	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-45.3	175.7	-90.6	164.6	0	0	0	112.4	V542 A543 F548 I549 I550	V542-L546 HydrophobicContact CG1-CD1 4.16Å; V542-L546 WeakPolarHBondContact O-CB 3.45Å; V542-L546 PolarHBondContact O-N 3.24Å; A543-L546 PolarHBondContact O-N 3.39Å; L546-F548 VanDerWaalsContact C-N 3.33Å; L546-F548 PolarHBondContact O-N 3.35Å; L546-I549 PolarHBondContact O-N 3.29Å; L546-I550 VanDerWaalsContact O-CG1 3.3Å; L546-I550 WeakPolarHBondContact O-CG1 3.39Å; L546-I550 PolarHBondContact O-N 3.39Å
547	V	91.3	Very high	84.1	Confident	84 Å²	84	98.7 Å²	98.7	51%	0.509	52%	0.516	S	S	.	.	H	α-helix	trans	-61.6	-41.2	175.8	170.1	0	0	0	0	111.2	A543 S544 I550 I551	A543-V547 WeakPolarHBondContact O-CG2 3.29Å; A543-V547 PolarHBondContact O-N 3.49Å; S544-V547 PolarHBondContact O-N 2.92Å; V547-I550 PolarHBondContact O-N 2.88Å; V547-I551 HydrophobicContact CG1-CD1 3.8Å; V547-I551 HydrophobicContact CG1-CG1 4.48Å; V547-I551 VanDerWaalsContact O-CG1 3.29Å; V547-I551 WeakPolarHBondContact O-CG1 3.48Å; V547-I551 PolarHBondContact O-N 2.82Å
548	F	89.1	Confident	83	Confident	126 Å²	126	98 Å²	98	55%	0.553	52%	0.524	S	S	*	.	H	α-helix	trans	-63.6	-43.4	176.6	-174.1	-107.7	0	0	0	112.5	S544 V545 L546 I550 I551 L552	S544-F548 WeakPolarHBondContact O-CB 3.45Å; S544-F548 PolarHBondContact O-N 3.14Å; V545-F548 PolarHBondContact O-N 2.87Å; L546-F548 VanDerWaalsContact C-N 3.33Å; L546-F548 PolarHBondContact O-N 3.35Å; F548-I550 PolarHBondContact O-N 3.41Å; F548-I551 PolarHBondContact O-N 2.91Å; F548-L552 HydrophobicContact CD1-CD1 3.91Å; F548-L552 HydrophobicContact CE1-CD1 3.52Å; F548-L552 HydrophobicContact CE1-CG 4.26Å; F548-L552 HydrophobicContact CZ-CD1 4.03Å; F548-L552 HydrophobicContact CZ-CG 4.39Å; F548-L552 WeakPolarHBondContact O-CG 3.33Å; F548-L552 PolarHBondContact O-N 3.39Å
549	I	89.3	Confident	81.7	Confident	82 Å²	82	105.1 Å²	105.1	42%	0.421	55%	0.549	S	S	.	.	H	α-helix	trans	-61.5	-43.3	174.6	-68.5	166.1	0	0	0	110.9	V545 L546 L552 M553	V545-I549 HydrophobicContact CG1-CD1 3.81Å; V545-I549 HydrophobicContact CG1-CG1 4.46Å; V545-I549 WeakPolarHBondContact O-CG1 3.41Å; V545-I549 PolarHBondContact O-N 2.85Å; L546-I549 PolarHBondContact O-N 3.29Å; I549-L552 PolarHBondContact O-N 3.29Å; I549-M553 HydrophobicContact CG2-CG 4.47Å; I549-M553 WeakPolarHBondContact O-CG 3.39Å; I549-M553 PolarHBondContact O-N 2.85Å
550	I	86.7	Confident	80	Confident	93 Å²	93	106.3 Å²	106.3	48%	0.477	55%	0.551	S	S	.	*	H	α-helix	trans	-63.4	-42.5	177.4	-69.9	165.2	0	0	0	111	L546 V547 F548 L552 M553 I554	L546-I550 VanDerWaalsContact O-CG1 3.3Å; L546-I550 WeakPolarHBondContact O-CG1 3.39Å; L546-I550 PolarHBondContact O-N 3.39Å; V547-I550 PolarHBondContact O-N 2.88Å; F548-I550 PolarHBondContact O-N 3.41Å; I550-L552 VanDerWaalsContact C-N 3.35Å; I550-L552 PolarHBondContact O-N 2.86Å; I550-M553 PolarHBondContact O-N 3.45Å; I550-I554 HydrophobicContact CG2-CD1 3.75Å; I550-I554 HydrophobicContact CG2-CG1 4.41Å; I550-I554 WeakPolarHBondContact O-CB 3.19Å; I550-I554 VanDerWaalsContact O-CG1 3.27Å; I550-I554 WeakPolarHBondContact O-CG1 3.27Å; I550-I554 PolarHBondContact O-N 3.39Å
551	I	85.4	Confident	77.5	Confident	85 Å²	85	106.3 Å²	106.3	44%	0.436	56%	0.56	S	S	.	*	H	α-helix	trans	-62.5	-41.2	175.5	-70	165.6	0	0	0	111.2	V547 F548 I554 R555	V547-I551 HydrophobicContact CG1-CD1 3.8Å; V547-I551 HydrophobicContact CG1-CG1 4.48Å; V547-I551 VanDerWaalsContact O-CG1 3.29Å; V547-I551 WeakPolarHBondContact O-CG1 3.48Å; V547-I551 PolarHBondContact O-N 2.82Å; F548-I551 PolarHBondContact O-N 2.91Å; I551-I554 PolarHBondContact O-N 2.86Å; I551-R555 PolarHBondContact O-N 3.3Å
552	L	80.1	Confident	75.6	Confident	91 Å²	91	107.6 Å²	107.6	48%	0.476	58%	0.575	S	S	.	*	H	α-helix	trans	-64.1	-44.2	174.1	-74.4	176.3	0	0	0	111.9	F548 I549 I550 I554 R555 Y556	F548-L552 HydrophobicContact CD1-CD1 3.91Å; F548-L552 HydrophobicContact CE1-CD1 3.52Å; F548-L552 HydrophobicContact CE1-CG 4.26Å; F548-L552 HydrophobicContact CZ-CD1 4.03Å; F548-L552 HydrophobicContact CZ-CG 4.39Å; F548-L552 WeakPolarHBondContact O-CG 3.33Å; F548-L552 PolarHBondContact O-N 3.39Å; I549-L552 PolarHBondContact O-N 3.29Å; I550-L552 VanDerWaalsContact C-N 3.35Å; I550-L552 PolarHBondContact O-N 2.86Å; L552-I554 VanDerWaalsContact C-N 3.35Å; L552-I554 PolarHBondContact O-N 3.41Å; L552-R555 PolarHBondContact O-N 3.35Å; L552-Y556 VanDerWaalsContact O-CB 3.27Å; L552-Y556 WeakPolarHBondContact O-CB 3.37Å; L552-Y556 PolarHBondContact O-N 2.9Å
553	M	76.1	Confident	72.9	Confident	128 Å²	128	112.4 Å²	112.4	63%	0.631	59%	0.592	S	S	*	*	H	α-helix	trans	-64.3	-37.4	176	-71.4	-153	78.2	0	0	112.5	I549 I550 K557	I549-M553 HydrophobicContact CG2-CG 4.47Å; I549-M553 WeakPolarHBondContact O-CG 3.39Å; I549-M553 PolarHBondContact O-N 2.85Å; I550-M553 PolarHBondContact O-N 3.45Å; M553-K557 WeakPolarHBondContact O-CB 3.42Å; M553-K557 PolarHBondContact O-N 3.24Å
554	I	79.7	Confident	70.3	Confident	107 Å²	107	117.2 Å²	117.2	55%	0.549	61%	0.61	S	S	.	*	H	α-helix	trans	-65.4	-44.5	174.6	-70.8	167	0	0	0	110.5	I550 I551 L552 K557 A558	I550-I554 HydrophobicContact CG2-CD1 3.75Å; I550-I554 HydrophobicContact CG2-CG1 4.41Å; I550-I554 WeakPolarHBondContact O-CB 3.19Å; I550-I554 VanDerWaalsContact O-CG1 3.27Å; I550-I554 WeakPolarHBondContact O-CG1 3.27Å; I550-I554 PolarHBondContact O-N 3.39Å; I551-I554 PolarHBondContact O-N 2.86Å; L552-I554 VanDerWaalsContact C-N 3.35Å; L552-I554 PolarHBondContact O-N 3.41Å; I554-K557 PolarHBondContact O-N 3.11Å; I554-A558 VanDerWaalsContact O-CB 3.3Å; I554-A558 WeakPolarHBondContact O-CB 3.35Å; I554-A558 PolarHBondContact O-N 3.28Å
555	R	72.8	Confident	67.9	Low	183 Å²	183	119 Å²	119	69%	0.691	62%	0.622	S	S	*	*	H	α-helix	trans	-66.7	-39.7	176.1	-76.4	-168.7	171.3	-144.1	-2.9	112.8	I551 L552 A558 H559	I551-R555 PolarHBondContact O-N 3.3Å; L552-R555 PolarHBondContact O-N 3.35Å; R555-A558 PolarHBondContact O-N 2.88Å; R555-H559 PolarHBondContact O-N 3.49Å
556	Y	71.6	Confident	65.2	Low	181 Å²	181	124.7 Å²	124.7	71%	0.71	64%	0.641	S	S	*	*	H	α-helix	trans	-61.8	-43.9	174.4	-174.6	-95.8	0	0	0	111.3	L552 H559 S560	L552-Y556 VanDerWaalsContact O-CB 3.27Å; L552-Y556 WeakPolarHBondContact O-CB 3.37Å; L552-Y556 PolarHBondContact O-N 2.9Å; Y556-H559 PolarHBondContact O-N 3.34Å; Y556-S560 PolarHBondContact O-N 3.45Å; Y556-S560 PolarHBondContact O-OG 3.13Å
557	K	62.8	Low	62.5	Low	159 Å²	159	124.5 Å²	124.5	69%	0.691	65%	0.653	S	S	*	*	H	α-helix	trans	-69.8	-33.8	176.9	-165.3	170.1	-176.5	178.1	0	113	M553 I554 H559 S560	M553-K557 WeakPolarHBondContact O-CB 3.42Å; M553-K557 PolarHBondContact O-N 3.24Å; I554-K557 PolarHBondContact O-N 3.11Å; K557-H559 VanDerWaalsContact C-N 3.31Å; K557-S560 WeakPolarHBondContact CA-OG 3.47Å; K557-S560 PolarHBondContact O-N 2.92Å
558	A	58.3	Low	59.7	Low	81 Å²	81	129.9 Å²	129.9	67%	0.669	67%	0.67	S	S	*	*	H	α-helix	trans	-68.3	-29.1	172.9	0	0	0	0	0	112.8	I554 R555	I554-A558 VanDerWaalsContact O-CB 3.3Å; I554-A558 WeakPolarHBondContact O-CB 3.35Å; I554-A558 PolarHBondContact O-N 3.28Å; R555-A558 PolarHBondContact O-N 2.88Å
559	H	54.2	Low	56.9	Low	181 Å²	181	129.5 Å²	129.5	84%	0.838	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-1.4	172.1	-103.1	-64.5	0	0	0	114.5	R555 Y556 K557	R555-H559 PolarHBondContact O-N 3.49Å; Y556-H559 PolarHBondContact O-N 3.34Å; K557-H559 VanDerWaalsContact C-N 3.31Å
560	S	53.3	Low	54	Low	66 Å²	66	130.1 Å²	130.1	46%	0.462	69%	0.689	S	S	.	*			trans	-125.2	65	-179.5	47.4	0	0	0	0	112.3	Y556 K557	Y556-S560 PolarHBondContact O-N 3.45Å; Y556-S560 PolarHBondContact O-OG 3.13Å; K557-S560 WeakPolarHBondContact CA-OG 3.47Å; K557-S560 PolarHBondContact O-N 2.92Å
561	S	37.2	Very low	51.6	Low	106 Å²	106	131 Å²	131	74%	0.741	70%	0.704	S	S	*	*			trans	-105.4	148.8	151.7	-70.1	0	0	0	0	109.7
562	P	51.2	Low	49	Very low	123 Å²	123	132.4 Å²	132.4	80%	0.799	72%	0.721	S	S	*	*			trans	-113.2	130.2	-155.2	36	-23.5	0	0	0	114
563	E	35.2	Very low	46.5	Very low	193 Å²	193	136.1 Å²	136.1	90%	0.902	74%	0.738	S	S	*	*			trans	-131.6	142	160	-73.8	-164.5	142.7	0	0	112.2
564	D	34.2	Very low	44.4	Very low	154 Å²	154	139.1 Å²	139.1	82%	0.824	75%	0.75	S	S	*	*			trans	43.9	110.1	164.9	-81.1	17.2	0	0	0	123.2
565	S	39	Very low	42.2	Very low	104 Å²	104	138 Å²	138	73%	0.727	75%	0.752	S	S	*	*			trans	-71.6	137.9	159.4	62.9	0	0	0	0	113.7
566	K	33.2	Very low	40.4	Very low	196 Å²	196	136.7 Å²	136.7	85%	0.852	75%	0.753	S	S	*	*			trans	-171.6	155.8	139.2	-102.2	145.1	-166.9	163.6	0	113.9
567	A	31.3	Very low	38.5	Very low	91 Å²	91	133 Å²	133	75%	0.752	75%	0.75	S	S	*	*			trans	53.4	86.1	154.3	0	0	0	0	0	120.4
568	K	32	Very low	37	Very low	198 Å²	198	133 Å²	133	86%	0.861	76%	0.758	S	S	*	*				30.1	135.4	106.9	-156.8	-161.9	-179.4	-177.3	0	118.8
569	V	32.3	Very low	35.6	Very low	117 Å²	117	132.3 Å²	132.3	71%	0.709	76%	0.758	S	S	*	*			trans	120.6	119	148.1	-179.2	0	0	0	0	117.1
570	S	27.2	Very low	34.5	Very low	95 Å²	95	129.1 Å²	129.1	66%	0.664	76%	0.756	S	S	*	*			trans	45.4	118.8	153.9	75.5	0	0	0	0	123.1
571	S	36.9	Very low	33.4	Very low	113 Å²	113	134.6 Å²	134.6	79%	0.79	77%	0.774	S	S	*	*				10.2	120.7	128.4	59.2	0	0	0	0	119.4
572	S	29.9	Very low	33	Very low	114 Å²	114	138 Å²	138	80%	0.797	78%	0.778	S	S	*	*				-153.2	139.8	118.5	52.4	0	0	0	0	110.1
573	M	28.2	Very low	31.9	Very low	169 Å²	169	142.9 Å²	142.9	83%	0.833	78%	0.781	S	S	*	*			trans	-120.8	134.7	156.5	-89.8	-172.6	162.8	0	0	107.1
574	H	31.8	Very low	31.6	Very low	190 Å²	190	139.4 Å²	139.4	88%	0.88	77%	0.768	S	S	*	*			trans	-130	139.8	159.9	-93.6	29.5	0	0	0	106.6
575	S	33.1	Very low	31.4	Very low	85 Å²	85	138.9 Å²	138.9	59%	0.594	76%	0.76	S	S	*	*			trans	-76.6	155.5	173.4	51.4	0	0	0	0	110.2
576	Q	34.5	Very low	30.8	Very low	154 Å²	154	144 Å²	144	72%	0.72	76%	0.764	S	S	*	*				168.7	129.2	106.4	-88.5	-159.9	12.9	0	0	114
577	T	31.9	Very low	30.6	Very low	105 Å²	105	139.3 Å²	139.3	64%	0.644	76%	0.755	S	S	*	*			trans	71.6	145.1	139.5	64.5	0	0	0	0	122.8
578	N	32.8	Very low	30.5	Very low	159 Å²	159	141 Å²	141	85%	0.85	76%	0.756	S	S	*	*			trans	66.1	140.7	151.1	-61.9	-20.9	0	0	0	119.7
579	G	27.7	Very low	30.3	Very low	66 Å²	66	136.2 Å²	136.2	68%	0.68	75%	0.748	S	S	*	*			trans	-171.6	-47	164.6	0	0	0	0	0	120.9
580	S	30.8	Very low	30	Very low	114 Å²	114	142.6 Å²	142.6	80%	0.797	76%	0.76	S	S	*	*			trans	65.4	173.5	176.3	80.2	0	0	0	0	119.2
581	Q	31.1	Very low	29.9	Very low	180 Å²	180	146.6 Å²	146.6	84%	0.841	77%	0.768	S	S	*	*			trans	79.5	108.5	165.5	-51.1	-142	5	0	0	121.5
582	H	28.6	Very low	30.9	Very low	178 Å²	178	146.6 Å²	146.6	82%	0.824	77%	0.765	S	S	*	*			trans	-44.7	149.2	141.1	-78.8	-103.5	0	0	0	113
583	R	28.9	Very low	30.7	Very low	225 Å²	225	144.9 Å²	144.9	85%	0.849	76%	0.758	S	S	*	*				-165.8	168.2	98.9	-145.6	162.4	-177.7	-166.8	-1.1	114.3
584	L	28.1	Very low	30.7	Very low	120 Å²	120	145.1 Å²	145.1	63%	0.628	76%	0.757	S	S	*	*			trans	-54.2	171.7	168.5	-64.3	73	0	0	0	112.2
585	Q	29.5	Very low	30.4	Very low	143 Å²	143	143 Å²	143	67%	0.668	75%	0.752	S	S	*	*			cis	-144.5	146	22.8	-114.1	109.8	-16.7	0	0	108.9
586	R	27.2	Very low	30.1	Very low	212 Å²	212	142.6 Å²	142.6	80%	0.8	75%	0.749	S	S	*	*				81.6	125.4	61.2	-161.8	-159.6	-168.5	179.8	5.8	114.2
587	S	29.8	Very low	29.7	Very low	97 Å²	97	143 Å²	143	68%	0.678	75%	0.75	S	S	*	*			trans	66.7	158.5	163.3	32.7	0	0	0	0	117.2
588	T	27.8	Very low	29.6	Very low	126 Å²	126	144 Å²	144	77%	0.773	75%	0.748	S	S	*	*			cis	-142.5	147.4	14.9	-16.5	0	0	0	0	113.8
589	S	28.4	Very low	29.2	Very low	99 Å²	99	145.3 Å²	145.3	69%	0.692	74%	0.741	S	S	*	*			trans	-36.7	155.8	163.6	55.6	0	0	0	0	119.4
590	R	25.8	Very low	29.2	Very low	251 Å²	251	149.6 Å²	149.6	95%	0.947	74%	0.743	S	S	*	*				-160.3	163	117.8	-108.1	166.6	-174.6	179.8	0.7	113.6
591	Q	25.8	Very low	28.9	Very low	179 Å²	179	149 Å²	149	84%	0.836	75%	0.745	S	S	*	*			trans	-141.1	177.8	-173.3	-111.9	-174.2	-27.5	0	0	106.5
592	P	57	Low	28.8	Very low	113 Å²	113	148.1 Å²	148.1	73%	0.734	75%	0.745	S	S	*	*			cis	-135.4	-136.9	-26.9	39.8	-19.4	0	0	0	110.6
593	A	26.3	Very low	29.6	Very low	78 Å²	78	144.8 Å²	144.8	65%	0.645	74%	0.74	S	S	*	*			trans	86.5	143.8	162.9	0	0	0	0	0	117.7
594	E	28.1	Very low	29.5	Very low	174 Å²	174	140.4 Å²	140.4	81%	0.813	74%	0.738	S	S	*	*			cis	-163.3	176.4	-15.1	-120.9	160.1	175	0	0	111.7
595	D	25.3	Very low	29.6	Very low	145 Å²	145	139 Å²	139	78%	0.775	74%	0.744	S	S	*	*			trans	63.8	172	160	-82.9	-41.6	0	0	0	122.7
596	S	26	Very low	29.5	Very low	76 Å²	76	136.6 Å²	136.6	53%	0.531	75%	0.748	S	S	.	*				-167.4	161.2	-74.8	58.2	0	0	0	0	112.8
597	H	27.6	Very low	29.6	Very low	162 Å²	162	136.1 Å²	136.1	75%	0.75	75%	0.751	S	S	*	*			trans	63.6	162.8	162.8	-62.6	-46.2	0	0	0	118.5
598	Q	28.1	Very low	29.6	Very low	126 Å²	126	140.5 Å²	140.5	59%	0.589	76%	0.761	S	S	*	*			cis	-165	158.9	-21.5	-112.4	177.9	13.7	0	0	111
599	R	26.2	Very low	29.3	Very low	188 Å²	188	140.5 Å²	140.5	71%	0.709	77%	0.765	S	S	*	*			trans	67.4	159.5	147.7	-74.5	177.3	158.5	138.7	-8.4	119.3
600	E	26.5	Very low	29.2	Very low	156 Å²	156	144.9 Å²	144.9	73%	0.729	78%	0.776	S	S	*	*			cis	-159.2	-177.1	-11.3	-125.1	155.8	-155.4	0	0	112.4
601	A	25.2	Very low	29.2	Very low	101 Å²	101	137.1 Å²	137.1	84%	0.835	77%	0.766	S	S	*	*			trans	99.5	141.2	156.3	0	0	0	0	0	121.4
602	L	27.9	Very low	29.1	Very low	161 Å²	161	136.9 Å²	136.9	84%	0.843	77%	0.77	S	S	*	*			trans	-155.9	154.7	-179.1	-109.4	168.3	0	0	0	107.2
603	P	45.3	Very low	27.6	Very low	109 Å²	109	137 Å²	137	71%	0.708	77%	0.768	S	S	*	*				-135.4	-158.7	75.9	22	4.1	0	0	0	111.4
604	V	27.2	Very low	27.5	Very low	133 Å²	133	141.5 Å²	141.5	81%	0.806	78%	0.78	S	S	*	*			cis	-149.9	167	22.3	-168.3	0	0	0	0	110.7
605	A	30.9	Very low	27.3	Very low	91 Å²	91	141 Å²	141	75%	0.752	78%	0.776	S	S	*	*			trans	-78.2	173.6	173.1	0	0	0	0	0	113.2
606	A	27.4	Very low	27.4	Very low	91 Å²	91	140.7 Å²	140.7	75%	0.752	78%	0.779	S	S	*	*			cis	-149.2	-178.5	16.1	0	0	0	0	0	110.7
607	K	28.8	Very low	27.3	Very low	203 Å²	203	144 Å²	144	88%	0.883	79%	0.79	S	S	*	*			cis	-155.4	172.2	17.2	-149.2	164.4	-173.9	177.7	0	110.5
608	E	29.2	Very low	27.2	Very low	189 Å²	189	140.6 Å²	140.6	88%	0.883	79%	0.785	S	S	*	*			trans	-94.4	170.2	-157.1	-64.2	166.9	110.9	0	0	117.9
609	C	22.8	Very low	27.1	Very low	125 Å²	125	139.7 Å²	139.7	85%	0.845	78%	0.784	S	S	*	*			trans	-93.2	167.3	175.5	-50.6	0	0	0	0	112.9
610	M	26.6	Very low	27	Very low	191 Å²	191	139.9 Å²	139.9	94%	0.941	79%	0.79	S	S	*	*			trans	-162.4	159.9	140.1	-111.6	-59.6	-177	0	0	111.7
611	A	24.4	Very low	27	Very low	88 Å²	88	141 Å²	141	73%	0.727	79%	0.787	S	S	*	*			trans	-104.4	166.2	175.6	0	0	0	0	0	111.6
612	L	24.1	Very low	27	Very low	175 Å²	175	142.6 Å²	142.6	92%	0.916	78%	0.778	S	S	*	*			trans	-142.8	155.5	175.2	-114.5	169.3	0	0	0	112.4
613	V	24.9	Very low	26.9	Very low	116 Å²	116	145.8 Å²	145.8	70%	0.703	78%	0.779	S	S	*	*			trans	-130.6	137.1	-166.9	174.2	0	0	0	0	110.6
614	L	25.3	Very low	25.8	Very low	171 Å²	171	147.9 Å²	147.9	90%	0.895	78%	0.784	S	S	*	*			trans	-137.1	117.8	159.4	-62.2	172.1	0	0	0	104.7
615	K	22.9	Very low	25.8	Very low	165 Å²	165	147.5 Å²	147.5	72%	0.717	78%	0.782	S	S	*	*			cis	69.9	104.4	35.8	-155.4	-178.4	-177.6	-170.9	0	113.8
616	V	27.8	Very low	26.8	Very low	138 Å²	138	149 Å²	149	84%	0.836	78%	0.784	S	S	*	*			trans	-97.6	143.5	164.7	174.1	0	0	0	0	108
617	D	23.6	Very low	27.5	Very low	144 Å²	144	150.2 Å²	150.2	77%	0.77	79%	0.785	S	S	*	*			trans	-159.5	166.6	156	-127.8	-35.4	0	0	0	111.7
618	S	25.1	Very low	27.4	Very low	92 Å²	92	146.7 Å²	146.7	64%	0.643	78%	0.78	S	S	*	*			trans	-106	154	-172.7	175.2	0	0	0	0	113.3
619	D	26.3	Very low	27.3	Very low	106 Å²	106	144.2 Å²	144.2	57%	0.567	78%	0.778	S	S	*	*				167.6	133.2	114.9	-108.4	30.2	0	0	0	116.7	R621	D619-R621 IonicContact OD2-CZ 3.27Å; D619-R621 IonicContact OD2-NE 2.71Å; D619-R621 PolarHBondContact OD2-NE 2.86Å; D619-R621 IonicContact OD2-NH2 3.55Å
620	K	25.4	Very low	27.5	Very low	192 Å²	192	147 Å²	147	84%	0.835	78%	0.781	S	S	*	*			trans	163.6	115	137.9	-90.3	164	-177.1	-178.5	0	108.1
621	R	26.5	Very low	27.5	Very low	179 Å²	179	142.9 Å²	142.9	68%	0.675	78%	0.777	S	S	*	*				66.5	135.8	63.1	-63.1	-179.5	-166.5	-134.4	12.2	112.7	D619	D619-R621 IonicContact OD2-CZ 3.27Å; D619-R621 IonicContact OD2-NE 2.71Å; D619-R621 PolarHBondContact OD2-NE 2.86Å; D619-R621 IonicContact OD2-NH2 3.55Å
622	E	24.5	Very low	27.7	Very low	135 Å²	135	146.4 Å²	146.4	63%	0.631	78%	0.782	S	S	*	*			cis	-156.3	143	9.6	-134.7	132.6	-153.5	0	0	111.8
623	W	26.6	Very low	27.6	Very low	228 Å²	228	145.7 Å²	145.7	86%	0.864	78%	0.778	S	S	*	*			trans	47.3	126.7	150.6	-67.5	38.4	0	0	0	122.9
624	D	22.1	Very low	27.6	Very low	153 Å²	153	148.3 Å²	148.3	82%	0.818	78%	0.783	S	S	*	*				-169.4	172	111.7	-110.4	-21.5	0	0	0	112.8
625	T	27.3	Very low	27.5	Very low	126 Å²	126	146.8 Å²	146.8	77%	0.773	78%	0.78	S	S	*	*			trans	-149.1	168.2	-172.8	62.4	0	0	0	0	113.7
626	P	50.3	Low	27.5	Very low	122 Å²	122	147.2 Å²	147.2	79%	0.792	79%	0.785	S	S	*	*			cis	-108.8	-100.2	-15.4	28.7	-7.4	0	0	0	110.9
627	P	43.4	Very low	27.5	Very low	117 Å²	117	148.1 Å²	148.1	76%	0.76	78%	0.784	S	S	*	*			cis	-119.9	-167.4	-11.1	43.3	-27	0	0	0	115.1
628	T	27	Very low	27.7	Very low	129 Å²	129	147.5 Å²	147.5	79%	0.791	79%	0.788	S	S	*	*			trans	-79.5	152.5	-176.7	-27.5	0	0	0	0	115.9
629	T	26.9	Very low	27.6	Very low	136 Å²	136	148.8 Å²	148.8	83%	0.834	79%	0.792	S	S	*	*				166.1	155.7	119.7	-64.7	0	0	0	0	112.7
630	M	26.9	Very low	27.6	Very low	184 Å²	184	150.3 Å²	150.3	91%	0.906	80%	0.8	S	S	*	*			trans	-72.6	153.3	179	-57.4	174.2	176.3	0	0	114.4
631	A	27	Very low	28	Very low	104 Å²	104	147 Å²	147	86%	0.86	80%	0.797	S	S	*	*			trans	-158.6	156	146.2	0	0	0	0	0	111.9
632	I	27.3	Very low	28	Very low	163 Å²	163	143.4 Å²	143.4	84%	0.836	80%	0.796	S	S	*	*			trans	-112.1	135.7	172.4	-62.5	159.6	0	0	0	107.4
633	L	22.7	Very low	28	Very low	160 Å²	160	143 Å²	143	84%	0.838	80%	0.798	S	S	*	*			trans	177.7	165.9	133.7	-107.8	136.9	0	0	0	113.4
634	E	25.2	Very low	28	Very low	171 Å²	171	140.2 Å²	140.2	80%	0.799	79%	0.792	S	S	*	*			trans	-74.4	163.5	171.6	-55.3	160.5	116.1	0	0	111.6
635	V	23.2	Very low	28.1	Very low	139 Å²	139	141.6 Å²	141.6	84%	0.842	80%	0.796	S	S	*	*			trans	-171.7	149.7	134.1	135.7	0	0	0	0	112.8
636	E	22.6	Very low	27.9	Very low	173 Å²	173	145.7 Å²	145.7	81%	0.808	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-51.6	167.6	-177.6	-65.8	163.4	110.4	0	0	119
637	L	26.7	Very low	26.6	Very low	158 Å²	158	151.1 Å²	151.1	83%	0.827	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-86.2	150.5	162.3	-95.5	70.3	0	0	0	111.9
638	P	28.5	Very low	25.7	Very low	130 Å²	130	151.7 Å²	151.7	84%	0.844	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-78.7	171.1	-176.1	33	-37.2	0	0	0	114.8
639	T	23.7	Very low	25.5	Very low	120 Å²	120	150.1 Å²	150.1	74%	0.736	80%	0.803	S	S	*	*			trans	-130.4	157.4	-162.3	54.1	0	0	0	0	115.8
640	L	25.1	Very low	25.3	Very low	138 Å²	138	151 Å²	151	72%	0.723	80%	0.802	S	S	*	*			trans	68.3	154.5	154.2	-73.3	163.8	0	0	0	117.5	T642	L640-T642 HydrophobicContact CB-CG2 4.36Å; L640-T642 HydrophobicContact CD1-CG2 4.44Å; L640-T642 HydrophobicContact CD2-CG2 3.97Å; L640-T642 HydrophobicContact CG-CG2 4.49Å
641	P	34.9	Very low	25.1	Very low	121 Å²	121	149 Å²	149	79%	0.786	80%	0.795	S	S	*	*				-114.8	132	51.5	6.1	18.3	0	0	0	114.7
642	T	26.4	Very low	25	Very low	104 Å²	104	149.7 Å²	149.7	64%	0.638	79%	0.788	S	S	*	*				67.3	119.9	78.3	65.9	0	0	0	0	117.8	L640	L640-T642 HydrophobicContact CB-CG2 4.36Å; L640-T642 HydrophobicContact CD1-CG2 4.44Å; L640-T642 HydrophobicContact CD2-CG2 3.97Å; L640-T642 HydrophobicContact CG-CG2 4.49Å
643	D	23.6	Very low	24.7	Very low	127 Å²	127	150.6 Å²	150.6	68%	0.679	79%	0.789	S	S	*	*				-160.2	151.1	129.3	-140.9	-16.3	0	0	0	115.8
644	K	26.2	Very low	24.6	Very low	169 Å²	169	148.6 Å²	148.6	74%	0.735	79%	0.787	S	S	*	*			trans	49.4	77	158.4	-75.6	140.1	-161.2	154.7	0	123.9
645	M	25	Very low	24.6	Very low	183 Å²	183	146.7 Å²	146.7	90%	0.901	79%	0.793	S	S	*	*				46	116.9	100.1	-170.8	-177.5	-172.3	0	0	121.9
646	K	23.8	Very low	24.6	Very low	211 Å²	211	143.1 Å²	143.1	92%	0.917	78%	0.784	S	S	*	*				-161.3	152.8	124.4	-115.4	176.5	-177.8	-179.2	0	112.8
647	R	23.5	Very low	24.7	Very low	236 Å²	236	141.7 Å²	141.7	89%	0.891	79%	0.793	S	S	*	*			trans	-119.1	153.4	-179	-84	178.4	166.2	169.5	-5.7	110.9
648	T	23.1	Very low	24.6	Very low	129 Å²	129	137.5 Å²	137.5	79%	0.791	79%	0.788	S	S	*	*			trans	154.3	124.9	131.1	44.6	0	0	0	0	108.3
649	S	22.3	Very low	25.6	Very low	97 Å²	97	136.9 Å²	136.9	68%	0.678	78%	0.784	S	S	*	*			cis	97.5	114.7	27.6	72.2	0	0	0	0	114.6
650	L	23.4	Very low	26.2	Very low	155 Å²	155	137.5 Å²	137.5	81%	0.812	79%	0.79	S	S	*	*			trans	158.5	100	139.7	-85.8	158.1	0	0	0	113.5
651	D	21.9	Very low	26.3	Very low	142 Å²	142	135.5 Å²	135.5	76%	0.759	79%	0.788	S	S	*	*				52.5	139.1	116.2	-63.5	-19.8	0	0	0	126.3
652	V	25	Very low	25.9	Very low	118 Å²	118	138.6 Å²	138.6	72%	0.715	79%	0.792	S	S	*	*			trans	76.7	118.4	143.3	169.4	0	0	0	0	120.7
653	Q	22.4	Very low	25.9	Very low	181 Å²	181	140.4 Å²	140.4	85%	0.846	80%	0.797	S	S	*	*				-174.5	167.1	98.1	-154.6	100.5	29.1	0	0	111.4
654	C	21	Very low	26	Very low	119 Å²	119	141.5 Å²	141.5	80%	0.804	81%	0.809	S	S	*	*			trans	-123.7	150.3	-172.2	-51.5	0	0	0	0	114.2
655	S	23.6	Very low	26	Very low	131 Å²	131	142.1 Å²	142.1	92%	0.916	81%	0.814	S	S	*	*			trans	164.8	156.9	150.3	41.3	0	0	0	0	109.9
656	G	24	Very low	26.2	Very low	64 Å²	64	140.3 Å²	140.3	66%	0.66	81%	0.814	S	S	*	*			cis	174.2	170.6	-6.6	0	0	0	0	0	112
657	S	25	Very low	26.2	Very low	142 Å²	142	136.9 Å²	136.9	99%	0.993	81%	0.806	S	S	*	*			trans	64	166.7	174.4	75.1	0	0	0	0	119.6
658	G	24.4	Very low	26.4	Very low	70 Å²	70	130.6 Å²	130.6	72%	0.722	80%	0.798	S	S	*	*			trans	-152.3	-139.5	-161.7	0	0	0	0	0	115.5
659	P	48.8	Very low	26.6	Very low	118 Å²	118	129.1 Å²	129.1	77%	0.766	79%	0.793	S	S	*	*			trans	-97.4	-169.8	-139.1	40.8	-41.4	0	0	0	115.7
660	P	36.1	Very low	26.9	Very low	133 Å²	133	131.9 Å²	131.9	86%	0.864	80%	0.799	S	S	*	*				-131	172.1	110.9	39.5	-33.7	0	0	0	114.8
661	S	27.8	Very low	27.2	Very low	96 Å²	96	131 Å²	131	67%	0.671	80%	0.801	S	S	*	*			trans	-151.6	147.2	-177.6	53.4	0	0	0	0	110.6
662	E	26.9	Very low	27.3	Very low	186 Å²	186	127.5 Å²	127.5	87%	0.869	80%	0.797	S	S	*	*			trans	-157.4	119.1	158.9	-100.6	166.2	-172.8	0	0	104.6
663	D	26.7	Very low	27.3	Very low	141 Å²	141	127.3 Å²	127.3	75%	0.754	80%	0.802	S	S	*	*				84	109.3	55.2	-77	-23.1	0	0	0	114.2
664	T	25.4	Very low	27.5	Very low	150 Å²	150	124.6 Å²	124.6	92%	0.92	80%	0.797	S	S	*	*				-174.9	154.9	121.9	20.4	0	0	0	0	112.3
665	Q	26.8	Very low	27.7	Very low	182 Å²	182	126.7 Å²	126.7	85%	0.85	80%	0.797	S	S	*	*			trans	-97	158.6	174.2	-57.5	157.5	-53.3	0	0	110.2
666	T	27.3	Very low	27.7	Very low	145 Å²	145	125.2 Å²	125.2	89%	0.89	79%	0.787	S	S	*	*			trans	-169	160.9	135.9	9.7	0	0	0	0	113.5
667	D	25.1	Very low	27.8	Very low	140 Å²	140	129.3 Å²	129.3	75%	0.749	79%	0.793	S	S	*	*			trans	-89	146.5	-164.8	-63.2	-79.9	0	0	0	116.7
668	S	27	Very low	27.6	Very low	104 Å²	104	127.9 Å²	127.9	73%	0.727	78%	0.782	S	S	*	*			trans	73.4	148	131	77.8	0	0	0	0	123.7
669	S	27.2	Very low	27.6	Very low	98 Å²	98	131.7 Å²	131.7	69%	0.685	79%	0.785	S	S	*	*			trans	98.7	114	133.4	78.7	0	0	0	0	121.4
670	L	29.7	Very low	26.5	Very low	154 Å²	154	134.2 Å²	134.2	81%	0.806	79%	0.791	S	S	*	*				69.6	132.6	127.5	-77.4	164.9	0	0	0	123
671	T	28.4	Very low	25.8	Very low	138 Å²	138	131.1 Å²	131.1	85%	0.847	78%	0.783	S	S	*	*			trans	65.9	141.1	161.3	61.7	0	0	0	0	118.2
672	G	24.8	Very low	26.8	Very low	67 Å²	67	131.9 Å²	131.9	69%	0.691	79%	0.786	S	S	*	*			cis	140.9	132.9	-14.6	0	0	0	0	0	114.3
673	S	25.9	Very low	26.7	Very low	115 Å²	115	130.5 Å²	130.5	80%	0.804	79%	0.785	S	S	*	*			trans	65.4	153.1	161.8	-61.7	0	0	0	0	117.1
674	T	26.2	Very low	26.7	Very low	123 Å²	123	128.5 Å²	128.5	76%	0.755	79%	0.788	S	S	*	*			cis	-158.6	143	-11.9	11.4	0	0	0	0	110.6
675	M	25.5	Very low	26.7	Very low	163 Å²	163	124.4 Å²	124.4	80%	0.803	78%	0.775	S	S	*	*				36.4	150.7	129.8	-69.2	-72	-71.9	0	0	123.8
676	S	23.8	Very low	26.7	Very low	100 Å²	100	121.9 Å²	121.9	70%	0.699	77%	0.772	S	S	*	*			trans	96.4	113.4	151	-151.8	0	0	0	0	116
677	L	25.5	Very low	26.7	Very low	151 Å²	151	124.1 Å²	124.1	79%	0.791	77%	0.769	S	S	*	*				74.8	137.3	58.6	-93.3	161.4	0	0	0	115
678	C	21.3	Very low	26.7	Very low	111 Å²	111	125.6 Å²	125.6	75%	0.75	77%	0.772	S	S	*	*			trans	99.3	139.6	-178.4	-64	0	0	0	0	114.5
679	L	24.3	Very low	26.6	Very low	151 Å²	151	125 Å²	125	79%	0.791	77%	0.773	S	S	*	*			cis	173.6	178.4	-19.6	-114.6	170.9	0	0	0	105.3
680	L	24.7	Very low	27.2	Very low	170 Å²	170	125.1 Å²	125.1	89%	0.89	77%	0.772	S	S	*	*			trans	77.2	137.6	170.7	-52.1	166	0	0	0	117.8
681	G	22.6	Very low	26.9	Very low	68 Å²	68	128.4 Å²	128.4	70%	0.701	77%	0.773	S	S	*	*			trans	-103.8	-138.3	155.1	0	0	0	0	0	109.1
682	P	48.5	Very low	26.8	Very low	113 Å²	113	128 Å²	128	73%	0.734	77%	0.766	S	S	*	*			cis	-128.5	-148.7	-9.1	41.3	-23	0	0	0	111
683	N	25	Very low	26.9	Very low	157 Å²	157	132.6 Å²	132.6	84%	0.84	77%	0.767	S	S	*	*			trans	67.9	169	169.1	-63.8	-18.3	0	0	0	116.8
684	A	26.5	Very low	27.1	Very low	99 Å²	99	133.7 Å²	133.7	82%	0.818	76%	0.763	S	S	*	*			cis	-175.6	147.4	-43.1	0	0	0	0	0	107.8
685	G	25.3	Very low	27.1	Very low	63 Å²	63	138.1 Å²	138.1	65%	0.649	77%	0.772	S	S	*	*			trans	152.8	99.2	172.6	0	0	0	0	0	112.6
686	T	25.4	Very low	27.2	Very low	130 Å²	130	139.7 Å²	139.7	80%	0.798	78%	0.775	S	S	*	*				58.9	110.2	81.3	68.6	0	0	0	0	115.2
687	K	28.1	Very low	27.3	Very low	191 Å²	191	140.5 Å²	140.5	83%	0.83	78%	0.78	S	S	*	*				-174.4	165.2	111.3	-100.8	167.8	-177	178.6	0	114.1
688	E	24.2	Very low	27.4	Very low	171 Å²	171	137.5 Å²	137.5	80%	0.799	78%	0.777	S	S	*	*			trans	-83.1	135.3	-165.4	-52.1	120.3	105.1	0	0	115.2
689	A	25.2	Very low	27.6	Very low	92 Å²	92	140.6 Å²	140.6	76%	0.76	79%	0.785	S	S	*	*				53.8	-169.1	126.9	0	0	0	0	0	118.6
690	P	40.1	Very low	27.7	Very low	101 Å²	101	137.5 Å²	137.5	66%	0.656	78%	0.782	S	S	*	*			cis	-132.2	-166.9	-16.2	42.7	-26.3	0	0	0	114.1
691	R	23.9	Very low	27.9	Very low	222 Å²	222	137.5 Å²	137.5	84%	0.838	78%	0.782	S	S	*	*			trans	75.9	148.3	150.3	-78.8	-179.1	-169.8	-169.2	3.8	118.4
692	L	26.2	Very low	28	Very low	130 Å²	130	143.6 Å²	143.6	68%	0.681	80%	0.795	S	S	*	*			cis	-164.2	143.4	-8.6	-169	70.3	0	0	0	113.4
693	K	26.2	Very low	26.9	Very low	164 Å²	164	141.1 Å²	141.1	71%	0.713	79%	0.79	S	S	*	*			trans	52.6	120.2	151.4	-76.7	172	-174.7	179.3	0	123.8
694	D	29.7	Very low	26.8	Very low	138 Å²	138	142.9 Å²	142.9	74%	0.738	79%	0.791	S	S	*	*				39.7	133.3	111.4	-58.5	-55.6	0	0	0	122.8
695	K	26.6	Very low	26.7	Very low	215 Å²	215	144.4 Å²	144.4	94%	0.935	79%	0.785	S	S	*	*				-152.2	153.2	126.3	-117.6	172	-175.5	178.3	0	112.5
696	K	28.3	Very low	26.8	Very low	197 Å²	197	147.2 Å²	147.2	86%	0.857	79%	0.785	S	S	*	*			trans	-121.3	144.5	-175.4	-63.7	177.3	177.7	178.4	0	112.6
697	S	25.3	Very low	26.8	Very low	116 Å²	116	148 Å²	148	81%	0.811	78%	0.78	S	S	*	*			trans	-161.1	140.9	132.1	51.7	0	0	0	0	108.2
698	A	28.6	Very low	26.7	Very low	88 Å²	88	146.2 Å²	146.2	73%	0.727	78%	0.778	S	S	*	*			cis	91.2	87.4	12.3	0	0	0	0	0	116.9
699	L	25.8	Very low	26.8	Very low	177 Å²	177	142.7 Å²	142.7	93%	0.927	78%	0.778	S	S	*	*			trans	177.8	157.3	155.6	-101.2	131.9	0	0	0	107
700	A	26.5	Very low	26.7	Very low	86 Å²	86	148.8 Å²	148.8	71%	0.711	78%	0.782	S	S	*	*			cis	-159.8	169.5	-44.2	0	0	0	0	0	108.4
701	N	28.5	Very low	26	Very low	170 Å²	170	150.6 Å²	150.6	91%	0.909	79%	0.791	S	S	*	*			trans	-68	144.5	-179.9	-77.5	-9.9	0	0	0	113.6
702	M	24.4	Very low	26	Very low	195 Å²	195	150 Å²	150	96%	0.961	79%	0.789	S	S	*	*			trans	-151.5	144.5	152.2	-162	171	-175.7	0	0	109.7
703	G	24.5	Very low	25.9	Very low	61 Å²	61	151.9 Å²	151.9	63%	0.629	79%	0.793	S	S	*	*			trans	-176.1	151.6	176.4	0	0	0	0	0	113.2
704	F	24.1	Very low	25.8	Very low	195 Å²	195	154.9 Å²	154.9	86%	0.855	80%	0.801	S	S	*	*			trans	-157.7	131.7	170.5	-102.4	-85.1	0	0	0	109.8
705	N	23.6	Very low	25.5	Very low	130 Å²	130	157.1 Å²	157.1	70%	0.695	80%	0.804	S	S	*	*				6.9	155.6	126.5	-53.8	4.5	0	0	0	118
706	N	27	Very low	25.3	Very low	122 Å²	122	152.1 Å²	152.1	65%	0.652	80%	0.796	S	S	*	*			cis	-171.3	173.8	0.1	-110.4	23.6	0	0	0	107.4
707	E	25.4	Very low	25.1	Very low	148 Å²	148	152.5 Å²	152.5	69%	0.692	80%	0.798	S	S	*	*			cis	-159.5	-179.7	-3	-138.8	175.5	120.9	0	0	111
708	L	27.3	Very low	25	Very low	152 Å²	152	153.9 Å²	153.9	80%	0.796	80%	0.796	S	S	*	*			trans	65	157.2	167	-91.6	71.3	0	0	0	116.4
709	A	25.6	Very low	24.9	Very low	97 Å²	97	152.5 Å²	152.5	80%	0.802	79%	0.791	S	S	*	*			cis	-131.5	-178.6	3.4	0	0	0	0	0	112.6
710	R	23.4	Very low	24.9	Very low	221 Å²	221	147.5 Å²	147.5	83%	0.834	78%	0.782	S	S	*	*			trans	-132.3	112.4	-160.1	168.6	-169.9	176.6	167.2	-3.1	112.6
711	T	25.3	Very low	25.1	Very low	138 Å²	138	149.9 Å²	149.9	85%	0.847	78%	0.783	S	S	*	*			trans	-137.5	115.2	160	34.3	0	0	0	0	110.8
712	R	24.5	Very low	25	Very low	211 Å²	211	152.3 Å²	152.3	80%	0.796	78%	0.781	S	S	*	*			trans	-88.6	142.8	164.5	-67.4	172.5	172	166.5	-5.2	107.9
713	H	24.1	Very low	25.2	Very low	168 Å²	168	146.6 Å²	146.6	78%	0.778	76%	0.761	S	S	*	*			trans	-130	125.7	147.1	-88.6	-80.8	0	0	0	110.5	F715	H713-F715 AromaticContact ND1-CE2 3.88Å
714	R	22.5	Very low	25.2	Very low	228 Å²	228	151.7 Å²	151.7	86%	0.86	77%	0.771	S	S	*	*			trans	-109.6	126.7	166.2	-87.6	179.6	166.2	176.3	-6.8	107.1
715	F	24.5	Very low	25.2	Very low	184 Å²	184	151 Å²	151	81%	0.807	77%	0.768	S	S	*	*			trans	-143.1	108.8	148.2	-65.3	-74.5	0	0	0	103.2	H713	H713-F715 AromaticContact ND1-CE2 3.88Å
716	S	22.7	Very low	25.3	Very low	111 Å²	111	153 Å²	153	78%	0.776	77%	0.774	S	S	*	*				65	118.4	58.4	-157.7	0	0	0	0	111.9
717	F	23.2	Very low	25.1	Very low	204 Å²	204	151.8 Å²	151.8	90%	0.895	78%	0.775	S	S	*	*			trans	-59.4	149.5	165.1	-85.3	-124.4	0	0	0	110.2
718	D	23.9	Very low	25.1	Very low	145 Å²	145	152.2 Å²	152.2	78%	0.775	78%	0.776	S	S	*	*				-143.8	167.1	120.4	-152.9	-8.8	0	0	0	108.3
719	G	26.4	Very low	25	Very low	59 Å²	59	149.4 Å²	149.4	61%	0.608	77%	0.77	S	S	*	*			trans	-154	-178.3	-170.9	0	0	0	0	0	116.1
720	G	26.1	Very low	25.1	Very low	73 Å²	73	155.5 Å²	155.5	75%	0.753	77%	0.773	S	S	*	*			trans	87.4	155.5	-177.5	0	0	0	0	0	114
721	D	29.5	Very low	25.3	Very low	136 Å²	136	151 Å²	151	73%	0.727	77%	0.772	S	S	*	*			cis	-162.4	153.9	-12.2	-144	-21.6	0	0	0	110.2
722	Y	26.6	Very low	25.4	Very low	220 Å²	220	156.5 Å²	156.5	86%	0.863	78%	0.778	S	S	*	*			trans	-172	117.1	134.9	-111.2	-66.1	0	0	0	110.7
723	S	28.6	Very low	25.4	Very low	76 Å²	76	158.3 Å²	158.3	53%	0.531	79%	0.785	S	S	.	*			trans	-95.4	151.8	175.6	52.2	0	0	0	0	111.7
724	I	25.5	Very low	25.5	Very low	167 Å²	167	154.6 Å²	154.6	86%	0.856	78%	0.783	S	S	*	*			trans	-127.5	106	151.1	-65.2	-175.2	0	0	0	107.6
725	F	24.1	Very low	25.6	Very low	180 Å²	180	155.9 Å²	155.9	79%	0.789	79%	0.788	S	S	*	*			trans	-69	142.5	159	-89.7	-105.8	0	0	0	109.2
726	Q	24.2	Very low	25.8	Very low	174 Å²	174	153.5 Å²	153.5	81%	0.813	79%	0.789	S	S	*	*			trans	-141.7	109.4	144.6	-151.8	166.8	13.1	0	0	111.6
727	S	23.2	Very low	25.9	Very low	96 Å²	96	158.6 Å²	158.6	67%	0.671	79%	0.791	S	S	*	*			trans	-95	123.5	-179.2	46.9	0	0	0	0	111.3
728	H	25.1	Very low	26.1	Very low	156 Å²	156	161 Å²	161	72%	0.722	79%	0.794	S	S	*	*			trans	-139.8	94.2	162.1	-84.5	-62.5	0	0	0	109
729	S	25.3	Very low	26.1	Very low	94 Å²	94	161.2 Å²	161.2	66%	0.657	79%	0.79	S	S	*	*				74.8	80.9	77.4	75.5	0	0	0	0	113.1
730	Y	27.7	Very low	26.1	Very low	225 Å²	225	168.1 Å²	168.1	88%	0.882	80%	0.803	S	S	*	*			trans	-58.6	140.1	171.6	-66.9	-90.4	0	0	0	112.2	R732	Y730-R732 PolarHBondContact O-N 2.89Å
731	P	28.6	Very low	26	Very low	125 Å²	125	170.5 Å²	170.5	81%	0.812	81%	0.808	S	S	*	*			trans	-74.3	105.8	175	29.8	-33.5	0	0	0	111.2	R733	P731-R733 PolarHBondContact O-N 3.21Å
732	R	26	Very low	25.9	Very low	255 Å²	255	170.1 Å²	170.1	96%	0.962	81%	0.811	S	S	*	*			trans	-62.3	126.2	166.3	-74	179.9	171.7	173.5	-2.3	109.9	Y730	Y730-R732 PolarHBondContact O-N 2.89Å
733	R	25.6	Very low	25.8	Very low	249 Å²	249	167.5 Å²	167.5	94%	0.94	81%	0.812	S	S	*	*			trans	-122.5	136.5	161.3	-150.3	170.7	-169.2	175.3	3.2	111	P731	P731-R733 PolarHBondContact O-N 3.21Å
734	A	25.9	Very low	25.7	Very low	90 Å²	90	173.3 Å²	173.3	74%	0.744	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-53.3	136.5	-159.5	0	0	0	0	0	117.2
735	R	24.8	Very low	25.7	Very low	254 Å²	254	173.2 Å²	173.2	96%	0.958	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-66.3	131.4	147.9	-83.2	179.3	166.9	169.2	-4.7	108.9
736	T	27.6	Very low	25.7	Very low	135 Å²	135	172 Å²	172	83%	0.828	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-93.7	140.4	160.1	45.2	0	0	0	0	110
737	R	26.3	Very low	25.7	Very low	217 Å²	217	169.5 Å²	169.5	82%	0.819	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-74.3	132.3	-178.5	-73.8	166.5	161.4	166.2	-6.5	110.8	H739	R737-H739 WeakPolarHBondContact CD-NE2 3.34Å
738	R	26.1	Very low	25.7	Very low	255 Å²	255	173.5 Å²	173.5	96%	0.962	84%	0.837	S	S	*	*			trans	-105.2	122	142.6	-76.3	-173.6	175.2	-178.2	-0.9	107.4
739	H	25.6	Very low	25.7	Very low	150 Å²	150	171.8 Å²	171.8	69%	0.694	84%	0.843	S	S	*	*			trans	-93.7	145.8	171.5	-89.2	-79.8	0	0	0	110.1	R737	R737-H739 WeakPolarHBondContact CD-NE2 3.34Å
740	K	25.3	Very low	25.6	Very low	204 Å²	204	172.8 Å²	172.8	89%	0.887	85%	0.85	S	S	*	*			trans	-69.1	151.2	166.7	-67.5	-179.8	174.5	-177.8	0	110.1
741	S	24.8	Very low	26.2	Very low	122 Å²	122	167.2 Å²	167.2	85%	0.853	84%	0.841	S	S	*	*			trans	-140.3	153.6	148.1	-164.4	0	0	0	0	108.6
742	T	27.2	Very low	26.2	Very low	129 Å²	129	169 Å²	169	79%	0.791	84%	0.843	S	S	*	*			trans	-111	159.9	-167.8	37.4	0	0	0	0	113.1
743	N	23.9	Very low	26.3	Very low	164 Å²	164	160.6 Å²	160.6	88%	0.877	83%	0.828	S	S	*	*			trans	-61.2	139	169.3	-63.8	-13.6	0	0	0	111.6
744	Q	26.2	Very low	26.4	Very low	198 Å²	198	155.8 Å²	155.8	93%	0.925	82%	0.821	S	S	*	*			trans	-157.8	152.2	146.8	-114.1	172.1	15	0	0	110
745	L	25.6	Very low	26.5	Very low	166 Å²	166	163.3 Å²	163.3	87%	0.869	83%	0.83	S	S	*	*			trans	-106.8	138.5	179.7	-75	126.8	0	0	0	110.7
746	N	24.4	Very low	26.5	Very low	154 Å²	154	161.3 Å²	161.3	82%	0.824	82%	0.823	S	S	*	*			trans	-179.6	118.8	144.8	-89.5	-20.5	0	0	0	106.6
747	V	24.5	Very low	26.5	Very low	121 Å²	121	161.9 Å²	161.9	73%	0.733	83%	0.826	S	S	*	*				91	125.3	67.1	166.3	0	0	0	0	112.3
748	E	23.6	Very low	26.4	Very low	180 Å²	180	156.5 Å²	156.5	84%	0.841	82%	0.817	S	S	*	*			trans	80.8	146.5	163.1	-85.2	179.9	167.1	0	0	124.3
749	S	24.4	Very low	26.4	Very low	120 Å²	120	154.2 Å²	154.2	84%	0.839	81%	0.814	S	S	*	*			trans	82.4	136.3	166.3	74	0	0	0	0	120.8
750	S	24	Very low	26.4	Very low	115 Å²	115	152 Å²	152	80%	0.804	82%	0.816	S	S	*	*			trans	-127.5	-171.6	178.6	-48.5	0	0	0	0	107.5
751	P	39.7	Very low	26.5	Very low	108 Å²	108	146.4 Å²	146.4	70%	0.701	80%	0.802	S	S	*	*			cis	-138.2	-163.4	-2.1	37.6	-15.1	0	0	0	114.4
752	L	28.6	Very low	26.7	Very low	163 Å²	163	146.8 Å²	146.8	85%	0.853	80%	0.8	S	S	*	*			trans	73.4	142.1	162.5	-62.4	165	0	0	0	117.5
753	A	27.8	Very low	26.7	Very low	78 Å²	78	148.6 Å²	148.6	65%	0.645	80%	0.799	S	S	*	*			cis	-157.3	153.8	-11.8	0	0	0	0	0	113.5
754	N	27.3	Very low	26.9	Very low	148 Å²	148	152.1 Å²	152.1	79%	0.791	80%	0.801	S	S	*	*			trans	33.9	113.4	151.9	-72.5	-22.9	0	0	0	121.3
755	R	28.7	Very low	26.9	Very low	249 Å²	249	150.6 Å²	150.6	94%	0.94	80%	0.795	S	S	*	*				-150.3	126.7	109.1	-147.8	169.1	-175.7	167.9	0.7	111.4
756	R	25.7	Very low	27	Very low	211 Å²	211	150.1 Å²	150.1	80%	0.796	79%	0.793	S	S	*	*			trans	-95.3	140.4	172.7	-61	-178.1	-170.5	172.5	2.3	110.4
757	V	27.9	Very low	27	Very low	148 Å²	148	152 Å²	152	90%	0.897	80%	0.797	S	S	*	*			trans	-138.6	140.9	139.6	-177.9	0	0	0	0	106.1
758	T	24.3	Very low	27.1	Very low	103 Å²	103	151.1 Å²	151.1	63%	0.632	80%	0.796	S	S	*	*			trans	-138.1	121.5	-167.3	48.6	0	0	0	0	112.7
759	F	25.7	Very low	27.3	Very low	207 Å²	207	149 Å²	149	91%	0.908	80%	0.795	S	S	*	*			trans	-154.7	122	145.4	-82	-74.3	0	0	0	104.3
760	S	24.8	Very low	27.6	Very low	104 Å²	104	153.2 Å²	153.2	73%	0.727	82%	0.816	S	S	*	*				67.1	124.4	52.3	-149	0	0	0	0	111.6
761	S	28.3	Very low	27.8	Very low	86 Å²	86	155.2 Å²	155.2	60%	0.601	82%	0.816	S	S	*	*			cis	-174	154.1	-6.5	34.8	0	0	0	0	110.2
762	T	27.4	Very low	27.2	Very low	131 Å²	131	157.6 Å²	157.6	80%	0.804	82%	0.822	S	S	*	*			trans	62.2	154.7	161.9	43.9	0	0	0	0	116.6
763	E	28.9	Very low	27.1	Very low	167 Å²	167	157.3 Å²	157.3	78%	0.78	82%	0.821	S	S	*	*			cis	-118.4	164.4	13.7	-68.4	177.1	113.3	0	0	114.1
764	W	26.6	Very low	27.1	Very low	238 Å²	238	162 Å²	162	90%	0.902	83%	0.831	S	S	*	*			trans	-104.2	141.1	157.8	-72.8	65.3	0	0	0	108
765	M	25.9	Very low	27	Very low	165 Å²	165	162.9 Å²	162.9	81%	0.813	83%	0.834	S	S	*	*			trans	-137.5	143.4	154.6	-94.1	-170.1	-80.6	0	0	109.5
766	L	27.9	Very low	26.9	Very low	156 Å²	156	157.1 Å²	157.1	82%	0.817	83%	0.827	S	S	*	*			trans	-90.8	132.7	173.3	-66.9	87.4	0	0	0	108.8	S768	L766-S768 PolarHBondContact O-N 3.21Å
767	E	25.6	Very low	27	Very low	194 Å²	194	153.3 Å²	153.3	91%	0.907	83%	0.829	S	S	*	*			trans	-82.7	108.5	158	-75.6	-174.6	127.6	0	0	108.8
768	S	25.3	Very low	27	Very low	102 Å²	102	153.7 Å²	153.7	71%	0.713	82%	0.823	S	S	*	*			trans	-106.1	96.8	165.6	59.8	0	0	0	0	109	L766	L766-S768 PolarHBondContact O-N 3.21Å
769	T	28.8	Very low	27.2	Very low	136 Å²	136	157.9 Å²	157.9	83%	0.834	84%	0.839	S	S	*	*			trans	-74.1	128.1	168.2	52.1	0	0	0	0	109.8
770	V	31.1	Very low	27.3	Very low	209 Å²	209	153.5 Å²	153.5	100%	1.267	83%	0.833	S	S	*	*			trans	-114	0	167.1	179.8	0	0	0	0	107.6

Retrieved 770 of 770 residues in 3891.7 ms (Link to these results)

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