A0A087YSF3_POEFO Loading...

SLIT and NTRK like family member 1

AlphaFold DB , UniProt , Accession A0A087YSF3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 703 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	54.9	Low	58.2	Low	192 Å²	192	114.5 Å²	114.5	95%	0.946	60%	0.596	S	S	*	*				0	-59	0	-71.4	-152	-74.1	0	0	113.4	L3 W4 I5	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 2.94Å; M1-W4 WeakPolarHBondContact O-CA 3.34Å; M1-W4 WeakPolarHBondContact O-CB 3.49Å; M1-W4 PolarHBondContact O-N 3.19Å; M1-I5 PolarHBondContact O-N 2.9Å
2	L	59.7	Low	57.3	Low	136 Å²	136	113.2 Å²	113.2	71%	0.712	59%	0.589	S	S	*	*	H	α-helix	trans	-51	-46.2	-178.8	-96.5	84.5	0	0	0	114.2	W4 I5 I6	L2-W4 PolarHBondContact O-N 3.43Å; L2-I5 PolarHBondContact O-N 3.08Å; L2-I5 VanDerWaalsContact O-N 3.09Å; L2-I6 WeakPolarHBondContact O-CG1 3.17Å; L2-I6 PolarHBondContact O-N 3.13Å
3	L	59.2	Low	56.3	Low	126 Å²	126	111 Å²	111	66%	0.66	59%	0.588	S	S	*	*	H	α-helix	trans	-58.7	-35.7	178.1	-154.6	88.5	0	0	0	112.9	M1 L7	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 2.94Å; L3-L7 HydrophobicContact CD2-CD1 4.37Å; L3-L7 HydrophobicContact CG-CD1 4.43Å; L3-L7 WeakPolarHBondContact O-CB 3.48Å; L3-L7 VanDerWaalsContact O-CG 3.31Å; L3-L7 WeakPolarHBondContact O-CG 3.36Å; L3-L7 PolarHBondContact O-N 2.88Å
4	W	59.4	Low	55.5	Low	196 Å²	196	111.7 Å²	111.7	74%	0.742	60%	0.599	S	S	*	*	H	α-helix	trans	-73	-35.6	176.1	-93.1	70.8	0	0	0	112.2	M1 L2 L7 L8	M1-W4 WeakPolarHBondContact O-CA 3.34Å; M1-W4 WeakPolarHBondContact O-CB 3.49Å; M1-W4 PolarHBondContact O-N 3.19Å; L2-W4 PolarHBondContact O-N 3.43Å; W4-L7 PolarHBondContact O-N 2.8Å; W4-L8 WeakPolarHBondContact O-CB 3.33Å; W4-L8 PolarHBondContact O-N 3.21Å
5	I	65.8	Low	54.6	Low	96 Å²	96	109.3 Å²	109.3	49%	0.492	60%	0.601	S	S	.	*	H	α-helix	trans	-68.2	-38.8	174.4	-64.2	164.5	0	0	0	110.3	M1 L2 L8 N9	M1-I5 PolarHBondContact O-N 2.9Å; L2-I5 PolarHBondContact O-N 3.08Å; L2-I5 VanDerWaalsContact O-N 3.09Å; I5-L8 PolarHBondContact O-N 3.3Å; I5-N9 WeakPolarHBondContact O-CB 3.3Å; I5-N9 PolarHBondContact O-N 3.31Å
6	I	65	Low	53.9	Low	107 Å²	107	107 Å²	107	55%	0.549	60%	0.595	S	S	.	*	H	α-helix	trans	-67.3	-43.6	175.2	-65.3	163.9	0	0	0	110.7	L2 N9 A10	L2-I6 WeakPolarHBondContact O-CG1 3.17Å; L2-I6 PolarHBondContact O-N 3.13Å; I6-N9 PolarHBondContact O-N 2.81Å; I6-A10 VanDerWaalsContact O-CB 3.24Å; I6-A10 WeakPolarHBondContact O-CB 3.4Å; I6-A10 PolarHBondContact O-N 3.39Å
7	L	61.3	Low	53	Low	104 Å²	104	103.9 Å²	103.9	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-66.6	-35.9	174.7	-77.1	165.3	0	0	0	112.6	L3 W4 A11	L3-L7 HydrophobicContact CD2-CD1 4.37Å; L3-L7 HydrophobicContact CG-CD1 4.43Å; L3-L7 WeakPolarHBondContact O-CB 3.48Å; L3-L7 VanDerWaalsContact O-CG 3.31Å; L3-L7 WeakPolarHBondContact O-CG 3.36Å; L3-L7 PolarHBondContact O-N 2.88Å; W4-L7 PolarHBondContact O-N 2.8Å; L7-A11 WeakPolarHBondContact O-CB 3.36Å; L7-A11 PolarHBondContact O-N 2.73Å
8	L	59.6	Low	52.8	Low	105 Å²	105	105.9 Å²	105.9	55%	0.55	60%	0.601	S	S	.	*	H	α-helix	trans	-69.7	-41.6	175.2	-161.1	82.8	0	0	0	111.1	W4 I5 A11 L12	W4-L8 WeakPolarHBondContact O-CB 3.33Å; W4-L8 PolarHBondContact O-N 3.21Å; I5-L8 PolarHBondContact O-N 3.3Å; L8-A11 PolarHBondContact O-N 3.33Å; L8-L12 HydrophobicContact CD2-CD1 4.35Å; L8-L12 HydrophobicContact CG-CD1 4.17Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.35Å; L8-L12 WeakPolarHBondContact O-CD1 3.42Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 2.8Å
9	N	50.7	Low	53	Low	92 Å²	92	105.5 Å²	105.5	49%	0.492	60%	0.601	S	S	.	*	H	α-helix	trans	-68.1	-35.5	174.3	-78.6	-6	0	0	0	112.2	I5 I6 C13	I5-N9 WeakPolarHBondContact O-CB 3.3Å; I5-N9 PolarHBondContact O-N 3.31Å; I6-N9 PolarHBondContact O-N 2.81Å; N9-C13 WeakPolarHBondContact O-CB 3.4Å; N9-C13 PolarHBondContact O-N 2.86Å; N9-C13 PolarHBondContact O-SG 2.85Å
10	A	52.7	Low	53.9	Low	47 Å²	47	103 Å²	103	39%	0.388	59%	0.587	S	S	.	*	H	α-helix	trans	-67.8	-42.8	172.4	0	0	0	0	0	111.3	I6 C13 V14	I6-A10 VanDerWaalsContact O-CB 3.24Å; I6-A10 WeakPolarHBondContact O-CB 3.4Å; I6-A10 PolarHBondContact O-N 3.39Å; A10-C13 PolarHBondContact O-N 2.74Å; A10-V14 WeakPolarHBondContact O-CB 3.27Å; A10-V14 VanDerWaalsContact O-CG2 3.27Å; A10-V14 WeakPolarHBondContact O-CG2 3.46Å; A10-V14 PolarHBondContact O-N 3.41Å
11	A	52	Low	55.1	Low	58 Å²	58	104 Å²	104	48%	0.479	58%	0.582	S	S	.	*	H	α-helix	trans	-65.8	-36.8	174.2	0	0	0	0	0	112.2	L7 L8 V14 A15	L7-A11 WeakPolarHBondContact O-CB 3.36Å; L7-A11 PolarHBondContact O-N 2.73Å; L8-A11 PolarHBondContact O-N 3.33Å; A11-V14 PolarHBondContact O-N 2.82Å; A11-A15 WeakPolarHBondContact O-CB 3.39Å; A11-A15 PolarHBondContact O-N 3.26Å
12	L	47.6	Very low	56.7	Low	99 Å²	99	96.4 Å²	96.4	52%	0.518	54%	0.544	S	S	.	.	H	α-helix	trans	-66.9	-41.6	171.9	-84.2	157.6	0	0	0	111.4	L8 A15 S16	L8-L12 HydrophobicContact CD2-CD1 4.35Å; L8-L12 HydrophobicContact CG-CD1 4.17Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.35Å; L8-L12 WeakPolarHBondContact O-CD1 3.42Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 2.8Å; L12-A15 PolarHBondContact O-N 3.41Å; L12-S16 WeakPolarHBondContact O-CB 3.27Å; L12-S16 PolarHBondContact O-N 3.46Å; L12-S16 PolarHBondContact O-OG 3.23Å
13	C	43.9	Very low	58	Low	85 Å²	85	90 Å²	90	57%	0.574	51%	0.51	S	S	*	.	H	α-helix	trans	-65.2	-37.3	173.9	-72.9	0	0	0	0	112.6	N9 A10 S16 G17	N9-C13 WeakPolarHBondContact O-CB 3.4Å; N9-C13 PolarHBondContact O-N 2.86Å; N9-C13 PolarHBondContact O-SG 2.85Å; A10-C13 PolarHBondContact O-N 2.74Å; C13-S16 WeakPolarHBondContact CA-OG 3.16Å; C13-S16 PolarHBondContact O-OG 3.48Å; C13-G17 PolarHBondContact O-N 3.45Å
14	V	45.5	Very low	59.2	Low	121 Å²	121	85.5 Å²	85.5	73%	0.733	49%	0.489	S	S	*	.	H	α-helix	trans	-71	-37.7	174.7	169.7	0	0	0	0	110.9	A10 A11 G17	A10-V14 WeakPolarHBondContact O-CB 3.27Å; A10-V14 VanDerWaalsContact O-CG2 3.27Å; A10-V14 WeakPolarHBondContact O-CG2 3.46Å; A10-V14 PolarHBondContact O-N 3.41Å; A11-V14 PolarHBondContact O-N 2.82Å; V14-G17 PolarHBondContact O-N 2.85Å
15	A	42.2	Very low	60.5	Low	76 Å²	76	83.2 Å²	83.2	63%	0.628	49%	0.485	S	S	*	.	H	α-helix	trans	-72.3	-30.6	174.9	0	0	0	0	0	113.1	A11 L12 G17	A11-A15 WeakPolarHBondContact O-CB 3.39Å; A11-A15 PolarHBondContact O-N 3.26Å; L12-A15 PolarHBondContact O-N 3.41Å; A15-G17 VanDerWaalsContact C-N 3.34Å
16	S	42.8	Very low	61.3	Low	72 Å²	72	82.7 Å²	82.7	50%	0.503	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-84.8	-6.6	172.5	63.1	0	0	0	0	113.6	L12 C13 N18	L12-S16 WeakPolarHBondContact O-CB 3.27Å; L12-S16 PolarHBondContact O-N 3.46Å; L12-S16 PolarHBondContact O-OG 3.23Å; C13-S16 WeakPolarHBondContact CA-OG 3.16Å; C13-S16 PolarHBondContact O-OG 3.48Å; S16-N18 PolarHBondContact O-N 2.83Å
17	G	38.6	Very low	62.1	Low	54 Å²	54	86 Å²	86	56%	0.557	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-69.9	-6	179.8	0	0	0	0	0	114.9	C13 V14 A15	C13-G17 PolarHBondContact O-N 3.45Å; V14-G17 PolarHBondContact O-N 2.85Å; A15-G17 VanDerWaalsContact C-N 3.34Å
18	N	49	Very low	63.2	Low	141 Å²	141	82.4 Å²	82.4	75%	0.754	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-130.5	28	-177.1	-138.4	30.8	0	0	0	113.2	S16 T20	S16-N18 PolarHBondContact O-N 2.83Å; N18-T20 PolarHBondContact O-N 2.77Å
19	V	57.8	Low	64.4	Low	97 Å²	97	77.7 Å²	77.7	59%	0.588	45%	0.447	S	S	*	.			trans	-80.3	101.8	171.6	-177.7	0	0	0	0	108.7
20	T	70.5	Confident	66	Low	55 Å²	55	75.5 Å²	75.5	34%	0.337	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-71.9	138.5	169.8	47.9	0	0	0	0	110	N18 H52 N80	N18-T20 PolarHBondContact O-N 2.77Å; T20-H52 WeakPolarHBondContact CA-O 3.26Å; T20-N80 WeakPolarHBondContact CG2-ND2 3.33Å
21	R	79.8	Confident	67.6	Low	125 Å²	125	75.5 Å²	75.5	47%	0.472	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.6	-175	-60.5	-174.6	74.6	-173.4	0.4	109.8	V23 E26 I28 H52 L53 T54	R21-V23 PolarHBondContact O-N 2.79Å; R21-E26 VanDerWaalsContact CA-OE1 3.22Å; R21-E26 WeakPolarHBondContact CA-OE1 3.43Å; R21-E26 WeakPolarHBondContact CB-OE1 3.47Å; R21-E26 WeakPolarHBondContact CG-OE1 3.34Å; R21-E26 IonicContact CZ-OE2 3.3Å; R21-E26 IonicContact NE-OE1 3.29Å; R21-E26 IonicContact NE-OE2 2.65Å; R21-E26 PolarHBondContact NE-OE2 2.77Å; R21-E26 IonicContact NH2-OE2 2.4Å; R21-E26 PolarHBondContact NH2-OE2 2.92Å; R21-I28 HydrophobicContact CB-CD1 3.64Å; R21-H52 PolarHBondContact N-O 3.46Å; R21-L53 HydrophobicContact CB-CD2 4.32Å; R21-L53 WeakPolarHBondContact O-CA 3.41Å; R21-T54 PolarHBondContact O-N 3.43Å
22	E	86.6	Confident	68.7	Low	33 Å²	33	74.5 Å²	74.5	15%	0.154	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.8	-176.2	-172.6	178.3	140.7	0	0	110.7	C24 K25 E26 T54	E22-C24 VanDerWaalsContact C-N 3.26Å; E22-C24 PolarHBondContact O-N 2.82Å; E22-C24 VanDerWaalsContact O-N 3.14Å; E22-K25 HydrophobicContact CB-CB 4.26Å; E22-K25 HydrophobicContact CB-CD 4.41Å; E22-K25 VanDerWaalsContact CD-CD 3.47Å; E22-K25 VanDerWaalsContact CD-CE 3.46Å; E22-K25 VanDerWaalsContact CD-NZ 3.34Å; E22-K25 HydrophobicContact CG-CB 4.47Å; E22-K25 HydrophobicContact CG-CD 4.38Å; E22-K25 HydrophobicContact CG-CG 4.34Å; E22-K25 PolarHBondContact O-N 2.82Å; E22-K25 WeakPolarHBondContact OE1-CD 3.37Å; E22-K25 WeakPolarHBondContact OE1-CE 3.38Å; E22-K25 WeakPolarHBondContact OE1-CG 3.23Å; E22-K25 IonicContact OE1-NZ 3.54Å; E22-K25 PolarHBondContact OE1-NZ 3.35Å; E22-K25 VanDerWaalsContact OE2-CD 3.31Å; E22-K25 WeakPolarHBondContact OE2-CD 3.25Å; E22-K25 VanDerWaalsContact OE2-CE 3.23Å; E22-K25 WeakPolarHBondContact OE2-CE 3.36Å; E22-K25 IonicContact OE2-NZ 3.44Å; E22-K25 PolarHBondContact OE2-NZ 3.36Å; E22-E26 PolarHBondContact O-N 2.88Å; E22-T54 WeakPolarHBondContact CA-O 3.39Å; E22-T54 HydrophobicContact CB-CG2 3.79Å; E22-T54 HydrophobicContact CG-CG2 4.24Å
23	V	88.1	Confident	69.9	Low	0 Å²	0	76.2 Å²	76.2	0%	0	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.9	-163.9	-65.7	0	0	0	0	113.7	R21 K27 I28 C29 V40 L53 T54 F81	R21-V23 PolarHBondContact O-N 2.79Å; V23-K27 PolarHBondContact O-N 2.91Å; V23-I28 PolarHBondContact O-N 3.4Å; V23-C29 HydrophobicContact CB-CB 3.91Å; V23-C29 HydrophobicContact CG2-CB 4.33Å; V23-C29 PolarHBondContact O-N 3.48Å; V23-V40 HydrophobicContact CG2-CG1 3.61Å; V23-L53 HydrophobicContact CG1-CB 3.84Å; V23-L53 HydrophobicContact CG1-CD1 4.11Å; V23-L53 HydrophobicContact CG1-CD2 4.28Å; V23-L53 HydrophobicContact CG1-CG 4.29Å; V23-T54 PolarHBondContact N-O 3.36Å; V23-F81 HydrophobicContact CG1-CE1 4.4Å; V23-F81 HydrophobicContact CG1-CZ 4.37Å
24	C	85.1	Confident	70.5	Confident	32 Å²	32	73.3 Å²	73.3	22%	0.216	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-47.7	177.8	-58	0	0	0	0	112.9	E22 E26 K27 C31 P56	E22-C24 VanDerWaalsContact C-N 3.26Å; E22-C24 PolarHBondContact O-N 2.82Å; E22-C24 VanDerWaalsContact O-N 3.14Å; C24-E26 VanDerWaalsContact C-N 3.31Å; C24-E26 PolarHBondContact O-N 3.46Å; C24-K27 PolarHBondContact O-N 2.97Å; C24-K27 VanDerWaalsContact O-N 3.16Å; C24-C31 WeakPolarHBondContact CA-SG 3.45Å; C24-C31 HydrophobicContact CB-CB 3.76Å; C24-C31 WeakPolarHBondContact CB-SG 3.36Å; C24-C31 WeakPolarHBondContact SG-CB 3.42Å; C24-C31 CovalentContact SG-SG 2.03Å; C24-C31 PolarHBondContact SG-SG 2.87Å; C24-P56 HydrophobicContact CB-CG 4.45Å; C24-P56 WeakPolarHBondContact SG-CG 3.33Å
25	K	85.1	Confident	70.8	Confident	149 Å²	149	74.2 Å²	74.2	65%	0.648	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-38.3	-178.7	-72.1	178.8	-172	148.9	0	112.2	E22 K27	E22-K25 HydrophobicContact CB-CB 4.26Å; E22-K25 HydrophobicContact CB-CD 4.41Å; E22-K25 VanDerWaalsContact CD-CD 3.47Å; E22-K25 VanDerWaalsContact CD-CE 3.46Å; E22-K25 VanDerWaalsContact CD-NZ 3.34Å; E22-K25 HydrophobicContact CG-CB 4.47Å; E22-K25 HydrophobicContact CG-CD 4.38Å; E22-K25 HydrophobicContact CG-CG 4.34Å; E22-K25 PolarHBondContact O-N 2.82Å; E22-K25 WeakPolarHBondContact OE1-CD 3.37Å; E22-K25 WeakPolarHBondContact OE1-CE 3.38Å; E22-K25 WeakPolarHBondContact OE1-CG 3.23Å; E22-K25 IonicContact OE1-NZ 3.54Å; E22-K25 PolarHBondContact OE1-NZ 3.35Å; E22-K25 VanDerWaalsContact OE2-CD 3.31Å; E22-K25 WeakPolarHBondContact OE2-CD 3.25Å; E22-K25 VanDerWaalsContact OE2-CE 3.23Å; E22-K25 WeakPolarHBondContact OE2-CE 3.36Å; E22-K25 IonicContact OE2-NZ 3.44Å; E22-K25 PolarHBondContact OE2-NZ 3.36Å; K25-K27 VanDerWaalsContact C-N 3.31Å
26	E	83.1	Confident	71.7	Confident	84 Å²	84	72.8 Å²	72.8	39%	0.393	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.2	179.7	-62.1	-157.9	-129.4	0	0	113.6	R21 E22 C24 I28	R21-E26 VanDerWaalsContact CA-OE1 3.22Å; R21-E26 WeakPolarHBondContact CA-OE1 3.43Å; R21-E26 WeakPolarHBondContact CB-OE1 3.47Å; R21-E26 WeakPolarHBondContact CG-OE1 3.34Å; R21-E26 IonicContact CZ-OE2 3.3Å; R21-E26 IonicContact NE-OE1 3.29Å; R21-E26 IonicContact NE-OE2 2.65Å; R21-E26 PolarHBondContact NE-OE2 2.77Å; R21-E26 IonicContact NH2-OE2 2.4Å; R21-E26 PolarHBondContact NH2-OE2 2.92Å; E22-E26 PolarHBondContact O-N 2.88Å; C24-E26 VanDerWaalsContact C-N 3.31Å; C24-E26 PolarHBondContact O-N 3.46Å; E26-I28 HydrophobicContact CB-CD1 3.77Å; E26-I28 HydrophobicContact CB-CG1 3.85Å; E26-I28 PolarHBondContact O-N 3.05Å; E26-I28 VanDerWaalsContact O-N 3.12Å
27	K	81.1	Confident	72.7	Confident	177 Å²	177	73.5 Å²	73.5	77%	0.77	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	26.6	-178.4	-54.7	-177.5	180	-178.1	0	113.5	V23 C24 K25 C29	V23-K27 PolarHBondContact O-N 2.91Å; C24-K27 PolarHBondContact O-N 2.97Å; C24-K27 VanDerWaalsContact O-N 3.16Å; K25-K27 VanDerWaalsContact C-N 3.31Å; K27-C29 VanDerWaalsContact C-N 3.25Å
28	I	84.4	Confident	74.6	Confident	29 Å²	29	72 Å²	72	15%	0.149	38%	0.377	C	S	.	.	S	Bend	trans	-70	-28.8	175.3	-65.5	170.1	0	0	0	110.2	R21 V23 E26 R45 F47 L53	R21-I28 HydrophobicContact CB-CD1 3.64Å; V23-I28 PolarHBondContact O-N 3.4Å; E26-I28 HydrophobicContact CB-CD1 3.77Å; E26-I28 HydrophobicContact CB-CG1 3.85Å; E26-I28 PolarHBondContact O-N 3.05Å; E26-I28 VanDerWaalsContact O-N 3.12Å; I28-R45 WeakPolarHBondContact O-CD 3.18Å; I28-R45 PolarHBondContact O-NE 2.97Å; I28-R45 PolarHBondContact O-NH1 3.44Å; I28-F47 HydrophobicContact CG2-CE1 4.13Å; I28-F47 HydrophobicContact CG2-CZ 3.7Å; I28-L53 HydrophobicContact CD1-CD2 3.96Å; I28-L53 HydrophobicContact CG2-CD1 4.48Å; I28-L53 HydrophobicContact CG2-CD2 4.04Å
29	C	86.5	Confident	76	Confident	6 Å²	6	66 Å²	66	4%	0.041	34%	0.344	C	S	.	.	S	Bend	trans	-126.1	158.4	169.8	-61.9	0	0	0	0	109.6	V23 K27 V40 D41 C42	V23-C29 HydrophobicContact CB-CB 3.91Å; V23-C29 HydrophobicContact CG2-CB 4.33Å; V23-C29 PolarHBondContact O-N 3.48Å; K27-C29 VanDerWaalsContact C-N 3.25Å; C29-V40 HydrophobicContact CB-CG1 4.15Å; C29-D41 CarbonylContact C-O 3.53Å; C29-D41 VanDerWaalsContact CA-O 3.27Å; C29-D41 WeakPolarHBondContact CA-O 3.33Å; C29-D41 WeakPolarHBondContact CB-O 3.47Å; C29-C42 HydrophobicContact CB-CB 4.1Å; C29-C42 WeakPolarHBondContact CB-SG 3.17Å; C29-C42 WeakPolarHBondContact SG-CA 3.46Å; C29-C42 WeakPolarHBondContact SG-CB 3.22Å; C29-C42 CovalentContact SG-SG 2.03Å; C29-C42 PolarHBondContact SG-SG 3.43Å
30	S	83.2	Confident	77.3	Confident	46 Å²	46	61.4 Å²	61.4	32%	0.322	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134.7	168.9	-165.6	0	0	0	0	107.9	D41	S30-D41 VanDerWaalsContact CB-OD2 3.26Å; S30-D41 WeakPolarHBondContact CB-OD2 3.48Å; S30-D41 PolarHBondContact N-O 2.94Å; S30-D41 PolarHBondContact O-N 3Å
31	C	85.6	Confident	77.9	Confident	46 Å²	46	59.4 Å²	59.4	31%	0.311	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.9	178.3	-56.4	0	0	0	0	109.5	C24 L38 H39	C24-C31 WeakPolarHBondContact CA-SG 3.45Å; C24-C31 HydrophobicContact CB-CB 3.76Å; C24-C31 WeakPolarHBondContact CB-SG 3.36Å; C24-C31 WeakPolarHBondContact SG-CB 3.42Å; C24-C31 CovalentContact SG-SG 2.03Å; C24-C31 PolarHBondContact SG-SG 2.87Å; C31-L38 HydrophobicContact CB-CD1 4.35Å; C31-H39 VanDerWaalsContact CA-O 3.31Å; C31-H39 WeakPolarHBondContact CA-O 3.46Å
32	S	76.6	Confident	78.2	Confident	37 Å²	37	53.5 Å²	53.5	26%	0.259	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.1	-175.7	47.6	0	0	0	0	109.6	H39	S32-H39 PolarHBondContact N-O 2.96Å; S32-H39 WeakPolarHBondContact O-CB 3.3Å; S32-H39 PolarHBondContact O-N 2.93Å
33	E	71.9	Confident	78	Confident	136 Å²	136	52.7 Å²	52.7	64%	0.636	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.5	174.4	-170.9	179.2	170.8	0	0	108.3	L38	E33-L38 HydrophobicContact CB-CD1 4.48Å
34	V	57.8	Low	77.5	Confident	23 Å²	23	56 Å²	56	14%	0.139	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.3	176.5	-168.7	0	0	0	0	109.3	G36 D37 E549	V34-G36 PolarHBondContact O-N 2.93Å; V34-D37 PolarHBondContact N-O 3.41Å; V34-D37 PolarHBondContact O-N 3.31Å; V34-E549 HydrophobicContact CB-CB 4.12Å; V34-E549 HydrophobicContact CG1-CB 3.48Å; V34-E549 VanDerWaalsContact CG1-CB 3.48Å; V34-E549 HydrophobicContact CG1-CG 4.27Å; V34-E549 HydrophobicContact CG2-CB 4.16Å; V34-E549 HydrophobicContact CG2-CG 4.17Å
35	E	51.6	Low	77.5	Confident	140 Å²	140	59.2 Å²	59.2	65%	0.654	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	16.3	-179.4	-53.4	-155.5	161.5	0	0	116.6	R550	E35-R550 IonicContact OE1-CZ 2.99Å; E35-R550 IonicContact OE1-NE 3.68Å; E35-R550 PolarHBondContact OE1-NE 3.48Å; E35-R550 IonicContact OE1-NH2 3.51Å; E35-R550 PolarHBondContact OE1-NH2 2.95Å; E35-R550 WeakPolarHBondContact OE2-CG 3.3Å; E35-R550 IonicContact OE2-NE 3.85Å; E35-R550 PolarHBondContact OE2-NE 3.03Å
36	G	59.9	Low	77.6	Confident	47 Å²	47	59 Å²	59	49%	0.485	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	115.5	-15.3	179.5	0	0	0	0	0	113.6	V34	V34-G36 PolarHBondContact O-N 2.93Å
37	D	64.7	Low	77.9	Confident	87 Å²	87	56.5 Å²	56.5	47%	0.465	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.5	178.5	-69.5	-46.4	0	0	0	111.4	V34 H39	V34-D37 PolarHBondContact N-O 3.41Å; V34-D37 PolarHBondContact O-N 3.31Å; D37-H39 PolarHBondContact O-ND1 3.04Å
38	L	78.1	Confident	78.2	Confident	23 Å²	23	53.6 Å²	53.6	12%	0.12	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.7	-180	-179.7	61.5	0	0	0	109.9	C31 E33 V40 P56 H59 F60 Y61 H62	C31-L38 HydrophobicContact CB-CD1 4.35Å; E33-L38 HydrophobicContact CB-CD1 4.48Å; L38-V40 HydrophobicContact CG-CG2 4.41Å; L38-P56 HydrophobicContact CD2-CB 3.88Å; L38-P56 HydrophobicContact CD2-CG 3.74Å; L38-H59 HydrophobicContact CB-CB 4.48Å; L38-H59 HydrophobicContact CD2-CB 4.04Å; L38-F60 WeakPolarHBondContact CB-O 3.36Å; L38-Y61 CarbonylContact O-C 3.48Å; L38-Y61 WeakPolarHBondContact O-CA 3.41Å; L38-Y61 WeakPolarHBondContact O-CB 3.2Å; L38-H62 PolarHBondContact O-N 3.29Å
39	H	79.1	Confident	78.3	Confident	14 Å²	14	54.3 Å²	54.3	7%	0.065	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130	176.4	-70.5	68.1	0	0	0	109.2	C31 S32 D37 H62 L64	C31-H39 VanDerWaalsContact CA-O 3.31Å; C31-H39 WeakPolarHBondContact CA-O 3.46Å; S32-H39 PolarHBondContact N-O 2.96Å; S32-H39 WeakPolarHBondContact O-CB 3.3Å; S32-H39 PolarHBondContact O-N 2.93Å; D37-H39 PolarHBondContact O-ND1 3.04Å; H39-H62 AromaticContact CE1-CD2 3.74Å; H39-H62 AromaticContact NE2-CD2 3.8Å; H39-H62 AromaticContact NE2-CG 3.98Å; H39-L64 HydrophobicContact CB-CD1 4.13Å
40	V	85.4	Confident	78.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	93.1	-177	-179.2	0	0	0	0	109.2	V23 C29 L38 C42 P56 Y61 H62 L63 L64	V23-V40 HydrophobicContact CG2-CG1 3.61Å; C29-V40 HydrophobicContact CB-CG1 4.15Å; L38-V40 HydrophobicContact CG-CG2 4.41Å; V40-C42 PolarHBondContact O-N 2.99Å; V40-P56 HydrophobicContact CG2-CG 4.17Å; V40-Y61 HydrophobicContact CB-CD2 4.24Å; V40-Y61 HydrophobicContact CG2-CD2 3.72Å; V40-Y61 HydrophobicContact CG2-CE2 4.42Å; V40-Y61 HydrophobicContact CG2-CG 3.85Å; V40-H62 PolarHBondContact N-O 2.97Å; V40-L63 HydrophobicContact CB-CD1 4.15Å; V40-L63 HydrophobicContact CG1-CD1 3.9Å; V40-L64 PolarHBondContact O-N 2.62Å
41	D	81.3	Confident	78.4	Confident	14 Å²	14	57.4 Å²	57.4	8%	0.075	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	105.3	178.6	155	38.6	0	0	0	112.3	C29 S30 E43 Y575	C29-D41 CarbonylContact C-O 3.53Å; C29-D41 VanDerWaalsContact CA-O 3.27Å; C29-D41 WeakPolarHBondContact CA-O 3.33Å; C29-D41 WeakPolarHBondContact CB-O 3.47Å; S30-D41 VanDerWaalsContact CB-OD2 3.26Å; S30-D41 WeakPolarHBondContact CB-OD2 3.48Å; S30-D41 PolarHBondContact N-O 2.94Å; S30-D41 PolarHBondContact O-N 3Å; D41-E43 VanDerWaalsContact OD1-CB 3.31Å; D41-E43 WeakPolarHBondContact OD1-CB 3.4Å; D41-E43 WeakPolarHBondContact OD1-CG 3.48Å; D41-E43 PolarHBondContact OD1-N 3.37Å; D41-Y575 HydrophobicContact CB-CD1 3.49Å; D41-Y575 VanDerWaalsContact CB-CD1 3.49Å; D41-Y575 HydrophobicContact CB-CD2 4.18Å; D41-Y575 HydrophobicContact CB-CE1 3.67Å; D41-Y575 HydrophobicContact CB-CE2 4.33Å; D41-Y575 HydrophobicContact CB-CG 3.74Å
42	C	86.6	Confident	78.4	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	30%	0.302	C	S	.	.			trans	-110	21	177.3	-70.3	0	0	0	0	112.1	C29 V40 F47 L64 L65 N68	C29-C42 HydrophobicContact CB-CB 4.1Å; C29-C42 WeakPolarHBondContact CB-SG 3.17Å; C29-C42 WeakPolarHBondContact SG-CA 3.46Å; C29-C42 WeakPolarHBondContact SG-CB 3.22Å; C29-C42 CovalentContact SG-SG 2.03Å; C29-C42 PolarHBondContact SG-SG 3.43Å; V40-C42 PolarHBondContact O-N 2.99Å; C42-F47 HydrophobicContact CB-CD2 4.25Å; C42-F47 HydrophobicContact CB-CE2 3.78Å; C42-F47 WeakPolarHBondContact O-CE2 3.46Å; C42-L64 CarbonylContact C-O 3.55Å; C42-L64 WeakPolarHBondContact CA-O 3.47Å; C42-L64 WeakPolarHBondContact CB-O 3.42Å; C42-L64 PolarHBondContact N-O 3.23Å; C42-L65 HydrophobicContact CB-CD2 3.48Å; C42-L65 VanDerWaalsContact CB-CD2 3.48Å; C42-L65 HydrophobicContact CB-CG 4.2Å; C42-N68 PolarHBondContact O-ND2 2.74Å
43	E	81.9	Confident	79	Confident	15 Å²	15	59.9 Å²	59.9	7%	0.07	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	145.3	-166.2	-64.4	171.2	-170.4	0	0	114.8	D41 R45 H66 Y575	D41-E43 VanDerWaalsContact OD1-CB 3.31Å; D41-E43 WeakPolarHBondContact OD1-CB 3.4Å; D41-E43 WeakPolarHBondContact OD1-CG 3.48Å; D41-E43 PolarHBondContact OD1-N 3.37Å; E43-R45 WeakPolarHBondContact O-CG 3.2Å; E43-R45 PolarHBondContact O-N 2.86Å; E43-H66 WeakPolarHBondContact CA-O 3.27Å; E43-H66 IonicContact OE1-CD2 3.9Å; E43-H66 PolarHBondContact OE1-CD2 3.48Å; E43-H66 IonicContact OE1-CE1 2.78Å; E43-H66 PolarHBondContact OE1-CE1 2.95Å; E43-H66 VanDerWaalsContact OE1-CE1 3.3Å; E43-H66 IonicContact OE1-CG 3.81Å; E43-H66 IonicContact OE1-ND1 2.92Å; E43-H66 IonicContact OE1-NE2 2.95Å; E43-H66 PolarHBondContact OE1-NE2 3.23Å; E43-H66 IonicContact OE2-CE1 3.86Å; E43-H66 PolarHBondContact OE2-CE1 3.06Å; E43-H66 IonicContact OE2-ND1 3.38Å; E43-H66 IonicContact OE2-NE2 3.31Å; E43-H66 PolarHBondContact OE2-NE2 3.43Å; E43-Y575 WeakPolarHBondContact OE1-CE2 3.43Å; E43-Y575 PolarHBondContact OE1-OH 3.38Å; E43-Y575 VanDerWaalsContact OE2-CE2 3.27Å; E43-Y575 WeakPolarHBondContact OE2-CE2 3.31Å
44	K	79.1	Confident	79.9	Confident	71 Å²	71	54.6 Å²	54.6	31%	0.309	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	24.3	173.1	-59.8	166.8	-172.3	144.9	0	114.4	H46 H66 G67 K570	K44-H46 PolarHBondContact O-N 3.47Å; K44-H66 PolarHBondContact N-O 3.02Å; K44-G67 WeakPolarHBondContact CA-O 3.42Å; K44-K570 PolarHBondContact NZ-O 2.84Å
45	R	84.8	Confident	81.3	Confident	98 Å²	98	53.6 Å²	53.6	37%	0.37	27%	0.265	S	S	.	.	S	Bend	trans	-86.7	9	177.2	-54.2	-163.8	178.6	-126.8	-3.4	112.7	I28 E43 F47 N68	I28-R45 WeakPolarHBondContact O-CD 3.18Å; I28-R45 PolarHBondContact O-NE 2.97Å; I28-R45 PolarHBondContact O-NH1 3.44Å; E43-R45 WeakPolarHBondContact O-CG 3.2Å; E43-R45 PolarHBondContact O-N 2.86Å; R45-F47 HydrophobicContact CB-CD2 3.87Å; R45-F47 HydrophobicContact CB-CE1 4.16Å; R45-F47 HydrophobicContact CB-CE2 3.48Å; R45-F47 VanDerWaalsContact CB-CE2 3.48Å; R45-F47 HydrophobicContact CB-CG 4.37Å; R45-F47 HydrophobicContact CB-CZ 3.62Å; R45-F47 HydrophobicContact CG-CE2 3.97Å; R45-F47 HydrophobicContact CG-CZ 4.23Å; R45-F47 PolarHBondContact O-N 3.23Å; R45-N68 PolarHBondContact N-OD1 3.35Å
46	H	86.7	Confident	83	Confident	146 Å²	146	47.2 Å²	47.2	68%	0.676	24%	0.236	S	C	*	.			trans	57.1	32.4	-177.3	-57.3	-72	0	0	0	113.5	K44 N48 N68	K44-H46 PolarHBondContact O-N 3.47Å; H46-N48 PolarHBondContact O-N 3.08Å; H46-N68 PolarHBondContact N-OD1 3.06Å; H46-N68 VanDerWaalsContact N-OD1 3.1Å
47	F	88.6	Confident	84.2	Confident	31 Å²	31	48.1 Å²	48.1	14%	0.136	24%	0.235	C	C	.	.			trans	-62	131.3	175.9	-65.6	-49.8	0	0	0	111	I28 C42 R45 L50 L53 L65 N68 S69 L70	I28-F47 HydrophobicContact CG2-CE1 4.13Å; I28-F47 HydrophobicContact CG2-CZ 3.7Å; C42-F47 HydrophobicContact CB-CD2 4.25Å; C42-F47 HydrophobicContact CB-CE2 3.78Å; C42-F47 WeakPolarHBondContact O-CE2 3.46Å; R45-F47 HydrophobicContact CB-CD2 3.87Å; R45-F47 HydrophobicContact CB-CE1 4.16Å; R45-F47 HydrophobicContact CB-CE2 3.48Å; R45-F47 VanDerWaalsContact CB-CE2 3.48Å; R45-F47 HydrophobicContact CB-CG 4.37Å; R45-F47 HydrophobicContact CB-CZ 3.62Å; R45-F47 HydrophobicContact CG-CE2 3.97Å; R45-F47 HydrophobicContact CG-CZ 4.23Å; R45-F47 PolarHBondContact O-N 3.23Å; F47-L50 HydrophobicContact CB-CD2 4.22Å; F47-L50 HydrophobicContact CD2-CD2 4.45Å; F47-L50 HydrophobicContact CG-CD2 4.33Å; F47-L53 HydrophobicContact CD1-CD1 4.31Å; F47-L53 HydrophobicContact CE1-CD1 4.01Å; F47-L53 HydrophobicContact CZ-CD1 4.17Å; F47-L65 HydrophobicContact CD2-CD2 4.22Å; F47-N68 HydrophobicContact CB-CB 4.32Å; F47-N68 PolarHBondContact N-OD1 2.94Å; F47-S69 CarbonylContact O-C 3.6Å; F47-S69 WeakPolarHBondContact O-CA 3.46Å; F47-S69 PolarHBondContact O-N 2.85Å; F47-L70 HydrophobicContact CB-CD2 4.34Å; F47-L70 PolarHBondContact O-N 3.38Å
48	N	87.6	Confident	85	Confident	116 Å²	116	48.2 Å²	48.2	62%	0.62	24%	0.243	S	C	*	.	S	Bend	trans	-114.5	-16.4	175.8	61.6	-9.9	0	0	0	112.6	H46	H46-N48 PolarHBondContact O-N 3.08Å
49	T	87.1	Confident	85.2	Confident	44 Å²	44	51.6 Å²	51.6	27%	0.27	26%	0.258	S	S	.	.			trans	-154	152.1	172.9	179.9	0	0	0	0	109.5	R51 E77	T49-R51 PolarHBondContact OG1-N 2.91Å; T49-E77 WeakPolarHBondContact CA-OE1 3.44Å; T49-E77 VanDerWaalsContact CB-OE1 3.28Å; T49-E77 WeakPolarHBondContact CB-OE1 3.26Å; T49-E77 PolarHBondContact OG1-OE1 3.37Å
50	L	89	Confident	85.6	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.279	C	S	.	.			trans	-114.4	-2.7	179.8	-55.9	174.2	0	0	0	112.8	F47 H52 L53 L65 L70 E77 F78 F81	F47-L50 HydrophobicContact CB-CD2 4.22Å; F47-L50 HydrophobicContact CD2-CD2 4.45Å; F47-L50 HydrophobicContact CG-CD2 4.33Å; L50-H52 PolarHBondContact O-N 3.06Å; L50-L53 HydrophobicContact CD2-CD1 3.99Å; L50-L53 WeakPolarHBondContact O-CA 3.22Å; L50-L53 WeakPolarHBondContact O-CB 3.31Å; L50-L53 PolarHBondContact O-N 3.27Å; L50-L65 HydrophobicContact CD1-CD1 3.59Å; L50-L65 HydrophobicContact CD1-CD2 4.28Å; L50-L65 HydrophobicContact CD2-CD2 3.88Å; L50-L70 HydrophobicContact CD1-CD1 4.26Å; L50-L70 HydrophobicContact CG-CD2 4.3Å; L50-E77 HydrophobicContact CB-CG 4.41Å; L50-E77 PolarHBondContact N-OE1 3.25Å; L50-F78 HydrophobicContact CD1-CD1 3.85Å; L50-F78 HydrophobicContact CD1-CE1 3.35Å; L50-F78 HydrophobicContact CD1-CZ 3.97Å; L50-F81 HydrophobicContact CB-CE2 4.11Å
51	R	83.1	Confident	85.5	Confident	116 Å²	116	56.7 Å²	56.7	44%	0.438	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-29.9	-174.1	-70.1	167.7	175.5	-127.2	-22.2	115.5	T49 F74 P75 E77 N80	T49-R51 PolarHBondContact OG1-N 2.91Å; R51-F74 VanDerWaalsContact NH2-CB 3.27Å; R51-P75 PolarHBondContact NH2-O 3.38Å; R51-E77 WeakPolarHBondContact CG-OE2 3.25Å; R51-E77 IonicContact CZ-OE2 3.68Å; R51-E77 IonicContact NE-OE2 2.79Å; R51-E77 PolarHBondContact NE-OE2 3.4Å; R51-E77 IonicContact NH2-OE2 3.7Å; R51-N80 PolarHBondContact O-ND2 3.25Å
52	H	85.1	Confident	85.5	Confident	119 Å²	119	56.6 Å²	56.6	55%	0.551	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	1.8	179.6	-59.6	-62.8	0	0	0	113.5	T20 R21 L50	T20-H52 WeakPolarHBondContact CA-O 3.26Å; R21-H52 PolarHBondContact N-O 3.46Å; L50-H52 PolarHBondContact O-N 3.06Å
53	L	89.4	Confident	85.6	Confident	16 Å²	16	56.6 Å²	56.6	8%	0.084	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	156.3	178.2	-57.1	-178.7	0	0	0	110	R21 V23 I28 F47 L50 N80 F81	R21-L53 HydrophobicContact CB-CD2 4.32Å; R21-L53 WeakPolarHBondContact O-CA 3.41Å; V23-L53 HydrophobicContact CG1-CB 3.84Å; V23-L53 HydrophobicContact CG1-CD1 4.11Å; V23-L53 HydrophobicContact CG1-CD2 4.28Å; V23-L53 HydrophobicContact CG1-CG 4.29Å; I28-L53 HydrophobicContact CD1-CD2 3.96Å; I28-L53 HydrophobicContact CG2-CD1 4.48Å; I28-L53 HydrophobicContact CG2-CD2 4.04Å; F47-L53 HydrophobicContact CD1-CD1 4.31Å; F47-L53 HydrophobicContact CE1-CD1 4.01Å; F47-L53 HydrophobicContact CZ-CD1 4.17Å; L50-L53 HydrophobicContact CD2-CD1 3.99Å; L50-L53 WeakPolarHBondContact O-CA 3.22Å; L50-L53 WeakPolarHBondContact O-CB 3.31Å; L50-L53 PolarHBondContact O-N 3.27Å; L53-N80 VanDerWaalsContact O-CB 3.28Å; L53-N80 WeakPolarHBondContact O-CB 3.47Å; L53-N80 PolarHBondContact O-ND2 3.4Å; L53-F81 HydrophobicContact CB-CE2 4.24Å; L53-F81 HydrophobicContact CB-CZ 3.79Å
54	T	90.6	Very high	85.7	Confident	24 Å²	24	55.9 Å²	55.9	15%	0.147	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.1	171.2	-174.7	0	0	0	0	109.9	R21 E22 V23 N80	R21-T54 PolarHBondContact O-N 3.43Å; E22-T54 WeakPolarHBondContact CA-O 3.39Å; E22-T54 HydrophobicContact CB-CG2 3.79Å; E22-T54 HydrophobicContact CG-CG2 4.24Å; V23-T54 PolarHBondContact N-O 3.36Å; T54-N80 PolarHBondContact OG1-O 3.31Å; T54-N80 VanDerWaalsContact OG1-O 3.13Å
55	G	88	Confident	86.1	Confident	2 Å²	2	52.5 Å²	52.5	2%	0.021	26%	0.261	C	S	.	.			trans	-81.8	171.6	174.3	0	0	0	0	0	112.8	S57 Y61 N80	G55-S57 PolarHBondContact O-N 3.21Å; G55-Y61 WeakPolarHBondContact CA-OH 3.24Å; G55-N80 PolarHBondContact N-O 3.49Å
56	P	86.8	Confident	86	Confident	6 Å²	6	47.9 Å²	47.9	4%	0.039	24%	0.243	C	C	.	.			trans	-56.3	125.6	174.2	-28.1	36.9	0	0	0	113.3	C24 L38 V40 Y61 N83	C24-P56 HydrophobicContact CB-CG 4.45Å; C24-P56 WeakPolarHBondContact SG-CG 3.33Å; L38-P56 HydrophobicContact CD2-CB 3.88Å; L38-P56 HydrophobicContact CD2-CG 3.74Å; V40-P56 HydrophobicContact CG2-CG 4.17Å; P56-Y61 HydrophobicContact CB-CD1 4.19Å; P56-Y61 HydrophobicContact CB-CE1 4.23Å; P56-Y61 HydrophobicContact CG-CD1 4.22Å; P56-Y61 HydrophobicContact CG-CE1 4.33Å; P56-Y61 WeakPolarHBondContact O-CE1 3.3Å; P56-N83 PolarHBondContact O-ND2 3Å
57	S	85	Confident	85.7	Confident	67 Å²	67	41.9 Å²	41.9	47%	0.469	22%	0.221	S	C	.	.	S	Bend	trans	-82.9	-12.3	-178.7	66.5	0	0	0	0	114.5	G55 Y82 N83	G55-S57 PolarHBondContact O-N 3.21Å; S57-Y82 WeakPolarHBondContact CA-OH 3.2Å; S57-Y82 WeakPolarHBondContact CB-OH 3.48Å; S57-N83 VanDerWaalsContact C-ND2 3.34Å; S57-N83 PolarHBondContact O-ND2 2.93Å
58	S	82.6	Confident	85.8	Confident	89 Å²	89	40.7 Å²	40.7	62%	0.622	22%	0.216	S	C	*	.	S	Bend	trans	-106.6	-15.5	-166.1	51.8	0	0	0	0	115.6
59	H	82.6	Confident	86	Confident	94 Å²	94	37.8 Å²	37.8	44%	0.435	20%	0.204	S	C	.	.	S	Bend	trans	-136.3	156.3	-178	-62.4	75.3	0	0	0	109.2	L38 Y61 N83	L38-H59 HydrophobicContact CB-CB 4.48Å; L38-H59 HydrophobicContact CD2-CB 4.04Å; H59-Y61 WeakPolarHBondContact O-CD1 3.48Å; H59-N83 WeakPolarHBondContact O-CB 3.38Å; H59-N83 PolarHBondContact O-ND2 3.14Å; H59-N83 VanDerWaalsContact O-ND2 3.11Å
60	F	85.8	Confident	86.2	Confident	119 Å²	119	35.8 Å²	35.8	52%	0.522	19%	0.192	S	C	.	.			trans	-76.2	149.7	165	-60.9	-56.5	0	0	0	110	L38 N83 V85 L107	L38-F60 WeakPolarHBondContact CB-O 3.36Å; F60-N83 WeakPolarHBondContact CA-O 3.18Å; F60-N83 HydrophobicContact CD1-CB 4.24Å; F60-V85 HydrophobicContact CB-CG2 3.79Å; F60-V85 HydrophobicContact CD1-CG2 4.4Å; F60-V85 HydrophobicContact CG-CG2 4.28Å; F60-L107 HydrophobicContact CD1-CD1 4.03Å; F60-L107 HydrophobicContact CE1-CD1 3.51Å; F60-L107 HydrophobicContact CZ-CD1 4.47Å
61	Y	83.1	Confident	86.4	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	159.4	-177.5	56.3	-92	0	0	0	115.4	L38 V40 G55 P56 H59 L63 F81 N83 A84 V85	L38-Y61 CarbonylContact O-C 3.48Å; L38-Y61 WeakPolarHBondContact O-CA 3.41Å; L38-Y61 WeakPolarHBondContact O-CB 3.2Å; V40-Y61 HydrophobicContact CB-CD2 4.24Å; V40-Y61 HydrophobicContact CG2-CD2 3.72Å; V40-Y61 HydrophobicContact CG2-CE2 4.42Å; V40-Y61 HydrophobicContact CG2-CG 3.85Å; G55-Y61 WeakPolarHBondContact CA-OH 3.24Å; P56-Y61 HydrophobicContact CB-CD1 4.19Å; P56-Y61 HydrophobicContact CB-CE1 4.23Å; P56-Y61 HydrophobicContact CG-CD1 4.22Å; P56-Y61 HydrophobicContact CG-CE1 4.33Å; P56-Y61 WeakPolarHBondContact O-CE1 3.3Å; H59-Y61 WeakPolarHBondContact O-CD1 3.48Å; Y61-L63 HydrophobicContact CD2-CB 4.22Å; Y61-L63 HydrophobicContact CE2-CB 4.11Å; Y61-F81 HydrophobicContact CE2-CD1 4.32Å; Y61-F81 WeakPolarHBondContact OH-CA 3.37Å; Y61-F81 PolarHBondContact OH-O 2.87Å; Y61-N83 HydrophobicContact CD1-CB 4.12Å; Y61-N83 HydrophobicContact CE1-CB 3.6Å; Y61-N83 PolarHBondContact N-O 2.71Å; Y61-N83 VanDerWaalsContact N-O 3.16Å; Y61-A84 HydrophobicContact CD2-CB 4.27Å; Y61-A84 HydrophobicContact CE2-CB 3.74Å; Y61-A84 CarbonylContact O-C 3.3Å; Y61-A84 VanDerWaalsContact O-CA 3.31Å; Y61-A84 WeakPolarHBondContact O-CA 3.16Å; Y61-V85 PolarHBondContact O-N 3.04Å
62	H	82.3	Confident	86.9	Confident	12 Å²	12	38 Å²	38	6%	0.056	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.2	168	-55.2	-99.5	0	0	0	108.8	L38 H39 V40 S86 D554	L38-H62 PolarHBondContact O-N 3.29Å; H39-H62 AromaticContact CE1-CD2 3.74Å; H39-H62 AromaticContact NE2-CD2 3.8Å; H39-H62 AromaticContact NE2-CG 3.98Å; V40-H62 PolarHBondContact N-O 2.97Å; H62-S86 WeakPolarHBondContact ND1-CB 3.42Å; H62-D554 IonicContact CE1-OD2 3.89Å; H62-D554 PolarHBondContact CE1-OD2 3.49Å; H62-D554 IonicContact ND1-OD2 3.31Å; H62-D554 PolarHBondContact ND1-OD2 2.87Å
63	L	88.3	Confident	87.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112.5	-175.4	-177.9	56.6	0	0	0	111.2	V40 Y61 L65 F78 F81 A84 S86 L87 H88	V40-L63 HydrophobicContact CB-CD1 4.15Å; V40-L63 HydrophobicContact CG1-CD1 3.9Å; Y61-L63 HydrophobicContact CD2-CB 4.22Å; Y61-L63 HydrophobicContact CE2-CB 4.11Å; L63-L65 HydrophobicContact CD1-CD1 4.24Å; L63-L65 HydrophobicContact CD1-CG 4.23Å; L63-L65 HydrophobicContact CD2-CD1 3.78Å; L63-L65 HydrophobicContact CG-CD1 3.73Å; L63-L65 HydrophobicContact CG-CG 4.08Å; L63-F78 HydrophobicContact CD2-CD1 4.44Å; L63-F81 HydrophobicContact CD1-CD1 4.26Å; L63-F81 HydrophobicContact CD1-CE1 4.21Å; L63-F81 HydrophobicContact CD2-CB 4.15Å; L63-F81 HydrophobicContact CD2-CD1 3.55Å; L63-F81 HydrophobicContact CD2-CE1 4.09Å; L63-F81 HydrophobicContact CD2-CG 3.92Å; L63-A84 HydrophobicContact CB-CB 4.34Å; L63-S86 PolarHBondContact N-O 3.4Å; L63-L87 HydrophobicContact CB-CD1 4.33Å; L63-L87 HydrophobicContact CD2-CD1 4.1Å; L63-L87 HydrophobicContact CG-CD1 4.2Å; L63-H88 PolarHBondContact O-N 3.18Å
64	L	83.6	Confident	87.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	100.5	-168	-63.2	148.5	0	0	0	109.5	H39 V40 C42 H88 A553 Y575	H39-L64 HydrophobicContact CB-CD1 4.13Å; V40-L64 PolarHBondContact O-N 2.62Å; C42-L64 CarbonylContact C-O 3.55Å; C42-L64 WeakPolarHBondContact CA-O 3.47Å; C42-L64 WeakPolarHBondContact CB-O 3.42Å; C42-L64 PolarHBondContact N-O 3.23Å; L64-H88 HydrophobicContact CD2-CB 3.99Å; L64-H88 VanDerWaalsContact CD2-CD2 3.45Å; L64-H88 WeakPolarHBondContact CD2-CD2 3.34Å; L64-A553 HydrophobicContact CD2-CB 4.12Å; L64-Y575 HydrophobicContact CD1-CE1 3.69Å; L64-Y575 VanDerWaalsContact CD1-OH 3.22Å; L64-Y575 WeakPolarHBondContact CD1-OH 3.31Å; L64-Y575 WeakPolarHBondContact CD2-OH 3.23Å
65	L	88.2	Confident	87.6	Confident	1 Å²	1	37 Å²	37	1%	0.005	21%	0.207	C	C	.	.			trans	-118.6	13.8	-171.9	-77.1	162.6	0	0	0	113	C42 F47 L50 L63 N68 L70 F78 L87 H88 L89 N92	C42-L65 HydrophobicContact CB-CD2 3.48Å; C42-L65 VanDerWaalsContact CB-CD2 3.48Å; C42-L65 HydrophobicContact CB-CG 4.2Å; F47-L65 HydrophobicContact CD2-CD2 4.22Å; L50-L65 HydrophobicContact CD1-CD1 3.59Å; L50-L65 HydrophobicContact CD1-CD2 4.28Å; L50-L65 HydrophobicContact CD2-CD2 3.88Å; L63-L65 HydrophobicContact CD1-CD1 4.24Å; L63-L65 HydrophobicContact CD1-CG 4.23Å; L63-L65 HydrophobicContact CD2-CD1 3.78Å; L63-L65 HydrophobicContact CG-CD1 3.73Å; L63-L65 HydrophobicContact CG-CG 4.08Å; L65-N68 PolarHBondContact O-ND2 3.32Å; L65-L70 HydrophobicContact CB-CD1 4.37Å; L65-F78 HydrophobicContact CD1-CE1 3.8Å; L65-L87 HydrophobicContact CD1-CD1 3.98Å; L65-H88 CarbonylContact C-O 3.41Å; L65-H88 WeakPolarHBondContact CA-O 3.25Å; L65-H88 VanDerWaalsContact CB-O 3.31Å; L65-H88 WeakPolarHBondContact CB-O 3.15Å; L65-H88 PolarHBondContact N-O 3.24Å; L65-L89 HydrophobicContact CB-CD2 3.95Å; L65-L89 HydrophobicContact CD1-CD2 4.15Å; L65-N92 PolarHBondContact O-ND2 3.24Å
66	H	83.1	Confident	87.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	154.7	-176.2	69.6	65.2	0	0	0	114	E43 K44 N68 E90 D559 D572 R574 Y575	E43-H66 WeakPolarHBondContact CA-O 3.27Å; E43-H66 IonicContact OE1-CD2 3.9Å; E43-H66 PolarHBondContact OE1-CD2 3.48Å; E43-H66 IonicContact OE1-CE1 2.78Å; E43-H66 PolarHBondContact OE1-CE1 2.95Å; E43-H66 VanDerWaalsContact OE1-CE1 3.3Å; E43-H66 IonicContact OE1-CG 3.81Å; E43-H66 IonicContact OE1-ND1 2.92Å; E43-H66 IonicContact OE1-NE2 2.95Å; E43-H66 PolarHBondContact OE1-NE2 3.23Å; E43-H66 IonicContact OE2-CE1 3.86Å; E43-H66 PolarHBondContact OE2-CE1 3.06Å; E43-H66 IonicContact OE2-ND1 3.38Å; E43-H66 IonicContact OE2-NE2 3.31Å; E43-H66 PolarHBondContact OE2-NE2 3.43Å; K44-H66 PolarHBondContact N-O 3.02Å; H66-N68 PolarHBondContact O-N 3.16Å; H66-N68 VanDerWaalsContact O-N 3.17Å; H66-E90 WeakPolarHBondContact CA-O 3.45Å; H66-E90 HydrophobicContact CB-CB 3.97Å; H66-E90 VanDerWaalsContact CB-O 3.26Å; H66-E90 WeakPolarHBondContact CB-O 3.33Å; H66-D559 IonicContact CD2-OD1 3.29Å; H66-D559 VanDerWaalsContact CE1-CB 3.42Å; H66-D559 WeakPolarHBondContact CE1-CB 3.16Å; H66-D559 VanDerWaalsContact CE1-CG 3.46Å; H66-D559 IonicContact CE1-OD2 2.72Å; H66-D559 IonicContact CG-OD1 3.16Å; H66-D559 IonicContact CG-OD2 3.76Å; H66-D559 IonicContact ND1-OD1 2.64Å; H66-D559 IonicContact ND1-OD2 2.72Å; H66-D559 PolarHBondContact ND1-OD2 3.14Å; H66-D559 VanDerWaalsContact ND1-OD2 3.14Å; H66-D572 IonicContact CE1-OD2 3.72Å; H66-D572 PolarHBondContact CE1-OD2 2.85Å; H66-D572 IonicContact NE2-OD2 2.73Å; H66-D572 PolarHBondContact NE2-OD2 3.3Å; H66-R574 PolarHBondContact NE2-NH2 3.38Å; H66-Y575 PolarHBondContact NE2-OH 2.72Å
67	G	80.6	Confident	87.9	Confident	20 Å²	20	41.1 Å²	41.1	21%	0.206	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	19.3	-179.8	0	0	0	0	0	115.3	K44 E90	K44-G67 WeakPolarHBondContact CA-O 3.42Å; G67-E90 PolarHBondContact N-O 3.08Å
68	N	89.4	Confident	88.3	Confident	7 Å²	7	37.9 Å²	37.9	4%	0.037	21%	0.205	C	C	.	.	S	Bend	trans	-85.9	-159.6	172.1	-80.8	-68.8	0	0	0	111.4	C42 R45 H46 F47 L65 H66 L70 N92	C42-N68 PolarHBondContact O-ND2 2.74Å; R45-N68 PolarHBondContact N-OD1 3.35Å; H46-N68 PolarHBondContact N-OD1 3.06Å; H46-N68 VanDerWaalsContact N-OD1 3.1Å; F47-N68 HydrophobicContact CB-CB 4.32Å; F47-N68 PolarHBondContact N-OD1 2.94Å; L65-N68 PolarHBondContact O-ND2 3.32Å; H66-N68 PolarHBondContact O-N 3.16Å; H66-N68 VanDerWaalsContact O-N 3.17Å; N68-L70 HydrophobicContact CB-CG 4.34Å; N68-N92 WeakPolarHBondContact CA-OD1 3.23Å; N68-N92 WeakPolarHBondContact CB-OD1 3.32Å; N68-N92 PolarHBondContact N-OD1 2.7Å
69	S	91.8	Very high	88.6	Confident	54 Å²	54	35.6 Å²	35.6	38%	0.378	19%	0.191	S	C	.	.			trans	-124.9	34	-178.4	-59.9	0	0	0	0	111.6	F47 S71 N92	F47-S69 CarbonylContact O-C 3.6Å; F47-S69 WeakPolarHBondContact O-CA 3.46Å; F47-S69 PolarHBondContact O-N 2.85Å; S69-S71 PolarHBondContact O-N 3.39Å; S69-N92 PolarHBondContact N-OD1 3.1Å
70	L	92.3	Very high	89	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.183	C	C	.	.			trans	-74.1	63.8	176.5	-57.2	174.3	0	0	0	110.4	F47 L50 L65 N68 R72 L73 L89 N92 L94	F47-L70 HydrophobicContact CB-CD2 4.34Å; F47-L70 PolarHBondContact O-N 3.38Å; L50-L70 HydrophobicContact CD1-CD1 4.26Å; L50-L70 HydrophobicContact CG-CD2 4.3Å; L65-L70 HydrophobicContact CB-CD1 4.37Å; N68-L70 HydrophobicContact CB-CG 4.34Å; L70-R72 VanDerWaalsContact C-N 3.27Å; L70-R72 PolarHBondContact O-N 3.04Å; L70-L73 HydrophobicContact CB-CD2 4.31Å; L70-L89 HydrophobicContact CD1-CD2 3.78Å; L70-N92 HydrophobicContact CB-CB 4.28Å; L70-N92 VanDerWaalsContact CB-OD1 3.3Å; L70-N92 WeakPolarHBondContact CB-OD1 3.26Å; L70-N92 WeakPolarHBondContact CG-OD1 3.41Å; L70-N92 PolarHBondContact N-OD1 3.19Å; L70-N92 VanDerWaalsContact N-OD1 3.15Å; L70-L94 WeakPolarHBondContact O-CD1 3.27Å
71	S	92.1	Very high	89.2	Confident	60 Å²	60	27.8 Å²	27.8	42%	0.42	16%	0.158	S	C	.	.			trans	-66.3	-26.4	-174.2	61.1	0	0	0	0	113.9	S69 L94 H95	S69-S71 PolarHBondContact O-N 3.39Å; S71-L94 WeakPolarHBondContact O-CA 3.45Å; S71-H95 PolarHBondContact O-CE1 3.16Å; S71-H95 PolarHBondContact O-N 3.38Å; S71-H95 PolarHBondContact O-ND1 3.08Å
72	R	93.9	Very high	89.6	Confident	103 Å²	103	32.7 Å²	32.7	39%	0.389	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	137.5	171.9	169.3	-178	-91.9	154.2	-6.7	109.3	L70 F74 D96 V98	L70-R72 VanDerWaalsContact C-N 3.27Å; L70-R72 PolarHBondContact O-N 3.04Å; R72-F74 HydrophobicContact CG-CE1 4.3Å; R72-F74 HydrophobicContact CG-CE2 4.32Å; R72-F74 HydrophobicContact CG-CZ 4.14Å; R72-D96 VanDerWaalsContact CA-O 3.29Å; R72-D96 WeakPolarHBondContact CA-O 3.5Å; R72-D96 HydrophobicContact CG-CB 4.3Å; R72-D96 IonicContact CZ-OD2 3.12Å; R72-D96 IonicContact NE-OD2 3.18Å; R72-D96 PolarHBondContact NE-OD2 3.35Å; R72-D96 IonicContact NH2-OD2 2.62Å; R72-D96 PolarHBondContact NH2-OD2 3.32Å; R72-V98 HydrophobicContact CG-CG2 4.43Å
73	L	94.4	Very high	90	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.1	172	-62.2	172.5	0	0	0	110.5	L70 E77 F78 L89 L94 D96 I97 V98 A101 F102	L70-L73 HydrophobicContact CB-CD2 4.31Å; L73-E77 HydrophobicContact CD2-CG 4.36Å; L73-F78 HydrophobicContact CD1-CE2 3.96Å; L73-F78 HydrophobicContact CD1-CZ 4.32Å; L73-F78 HydrophobicContact CD2-CE2 3.87Å; L73-F78 HydrophobicContact CD2-CZ 3.93Å; L73-F78 HydrophobicContact CG-CE2 4.44Å; L73-L89 HydrophobicContact CD1-CD1 3.98Å; L73-L94 HydrophobicContact CD1-CD1 4.25Å; L73-L94 HydrophobicContact CD1-CD2 3.93Å; L73-L94 HydrophobicContact CG-CD1 3.86Å; L73-L94 HydrophobicContact CG-CD2 4.42Å; L73-D96 PolarHBondContact N-O 3.18Å; L73-D96 VanDerWaalsContact N-O 3.11Å; L73-I97 HydrophobicContact CB-CG2 4.42Å; L73-I97 HydrophobicContact CD1-CG1 4.22Å; L73-V98 WeakPolarHBondContact O-CB 3.43Å; L73-V98 VanDerWaalsContact O-CG2 3.32Å; L73-V98 WeakPolarHBondContact O-CG2 3.37Å; L73-V98 PolarHBondContact O-N 2.94Å; L73-A101 HydrophobicContact CB-CB 3.84Å; L73-F102 HydrophobicContact CD1-CE1 4.08Å; L73-F102 HydrophobicContact CD1-CZ 4.16Å
74	F	92.6	Very high	90.1	Very high	88 Å²	88	33.1 Å²	33.1	39%	0.386	18%	0.18	S	C	.	.			trans	-104	164.9	-179.6	-64.5	-82.8	0	0	0	111.4	R51 R72 N76 E77 A101	R51-F74 VanDerWaalsContact NH2-CB 3.27Å; R72-F74 HydrophobicContact CG-CE1 4.3Å; R72-F74 HydrophobicContact CG-CE2 4.32Å; R72-F74 HydrophobicContact CG-CZ 4.14Å; F74-N76 PolarHBondContact O-N 2.96Å; F74-E77 WeakPolarHBondContact O-CB 3.44Å; F74-E77 PolarHBondContact O-N 3.31Å; F74-A101 VanDerWaalsContact O-CA 3.24Å; F74-A101 WeakPolarHBondContact O-CA 3.47Å; F74-A101 WeakPolarHBondContact O-CB 3.4Å
75	P	92.6	Very high	90.3	Very high	50 Å²	50	34.7 Å²	34.7	33%	0.325	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	141.1	177.5	-24.6	35.8	0	0	0	112.3	R51 E77 V98 G100	R51-P75 PolarHBondContact NH2-O 3.38Å; P75-E77 PolarHBondContact O-N 3.06Å; P75-V98 HydrophobicContact CG-CB 4.31Å; P75-V98 HydrophobicContact CG-CG1 3.7Å; P75-G100 WeakPolarHBondContact CA-O 3.43Å
76	N	90.2	Very high	90.2	Very high	90 Å²	90	34.6 Å²	34.6	48%	0.481	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	23.3	-178.4	-54.9	-37.6	0	0	0	115	F74 F78 A79 G100 L103	F74-N76 PolarHBondContact O-N 2.96Å; N76-F78 PolarHBondContact O-N 2.84Å; N76-A79 HydrophobicContact CB-CB 4.06Å; N76-A79 WeakPolarHBondContact O-CB 3.39Å; N76-A79 PolarHBondContact O-N 3.05Å; N76-G100 PolarHBondContact N-O 3.13Å; N76-L103 VanDerWaalsContact OD1-CB 3.28Å; N76-L103 WeakPolarHBondContact OD1-CB 3.41Å; N76-L103 WeakPolarHBondContact OD1-CD1 3.48Å
77	E	91.1	Very high	90.6	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.014	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.7	-179.7	-159.3	63.8	-155.9	0	0	112.4	T49 L50 R51 L73 F74 P75 A101	T49-E77 WeakPolarHBondContact CA-OE1 3.44Å; T49-E77 VanDerWaalsContact CB-OE1 3.28Å; T49-E77 WeakPolarHBondContact CB-OE1 3.26Å; T49-E77 PolarHBondContact OG1-OE1 3.37Å; L50-E77 HydrophobicContact CB-CG 4.41Å; L50-E77 PolarHBondContact N-OE1 3.25Å; R51-E77 WeakPolarHBondContact CG-OE2 3.25Å; R51-E77 IonicContact CZ-OE2 3.68Å; R51-E77 IonicContact NE-OE2 2.79Å; R51-E77 PolarHBondContact NE-OE2 3.4Å; R51-E77 IonicContact NH2-OE2 3.7Å; L73-E77 HydrophobicContact CD2-CG 4.36Å; F74-E77 WeakPolarHBondContact O-CB 3.44Å; F74-E77 PolarHBondContact O-N 3.31Å; P75-E77 PolarHBondContact O-N 3.06Å; E77-A101 PolarHBondContact N-O 2.99Å
78	F	93.2	Very high	90.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	12.1	-178.6	-60.3	-85.1	0	0	0	114.5	L50 L63 L65 L73 N76 N80 F81 L87 L89 F102 L105	L50-F78 HydrophobicContact CD1-CD1 3.85Å; L50-F78 HydrophobicContact CD1-CE1 3.35Å; L50-F78 HydrophobicContact CD1-CZ 3.97Å; L63-F78 HydrophobicContact CD2-CD1 4.44Å; L65-F78 HydrophobicContact CD1-CE1 3.8Å; L73-F78 HydrophobicContact CD1-CE2 3.96Å; L73-F78 HydrophobicContact CD1-CZ 4.32Å; L73-F78 HydrophobicContact CD2-CE2 3.87Å; L73-F78 HydrophobicContact CD2-CZ 3.93Å; L73-F78 HydrophobicContact CG-CE2 4.44Å; N76-F78 PolarHBondContact O-N 2.84Å; F78-N80 PolarHBondContact O-N 3.01Å; F78-F81 WeakPolarHBondContact O-CB 3.15Å; F78-F81 PolarHBondContact O-N 3.46Å; F78-L87 HydrophobicContact CD1-CD2 4.4Å; F78-L87 HydrophobicContact CE1-CD1 3.95Å; F78-L87 HydrophobicContact CE1-CD2 4.06Å; F78-L87 HydrophobicContact CE2-CD2 4.44Å; F78-L87 HydrophobicContact CZ-CD1 4.46Å; F78-L87 HydrophobicContact CZ-CD2 4.09Å; F78-L89 HydrophobicContact CZ-CD1 4.11Å; F78-L89 HydrophobicContact CZ-CD2 4.05Å; F78-F102 HydrophobicContact CD2-CD1 4.01Å; F78-F102 AromaticContact CE2-CD1 3.97Å; F78-F102 HydrophobicContact CE2-CD1 3.97Å; F78-F102 HydrophobicContact CE2-CE1 4.06Å; F78-L105 HydrophobicContact CB-CD1 3.55Å; F78-L105 HydrophobicContact CB-CD2 3.92Å; F78-L105 HydrophobicContact CB-CG 3.63Å; F78-L105 HydrophobicContact CD1-CD1 4.2Å; F78-L105 HydrophobicContact CD2-CD1 3.97Å; F78-L105 HydrophobicContact CG-CD1 3.66Å; F78-L105 HydrophobicContact CG-CG 4.3Å
79	A	89.5	Confident	90.8	Very high	41 Å²	41	33.4 Å²	33.4	34%	0.339	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.8	-173.5	0	0	0	0	0	114.5	N76 L103	N76-A79 HydrophobicContact CB-CB 4.06Å; N76-A79 WeakPolarHBondContact O-CB 3.39Å; N76-A79 PolarHBondContact O-N 3.05Å; A79-L103 WeakPolarHBondContact CA-O 3.16Å
80	N	90.1	Very high	90.5	Very high	47 Å²	47	31 Å²	31	25%	0.251	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	11.3	177.4	-54.2	-33.3	0	0	0	113.8	T20 R51 L53 T54 G55 F78	T20-N80 WeakPolarHBondContact CG2-ND2 3.33Å; R51-N80 PolarHBondContact O-ND2 3.25Å; L53-N80 VanDerWaalsContact O-CB 3.28Å; L53-N80 WeakPolarHBondContact O-CB 3.47Å; L53-N80 PolarHBondContact O-ND2 3.4Å; T54-N80 PolarHBondContact OG1-O 3.31Å; T54-N80 VanDerWaalsContact OG1-O 3.13Å; G55-N80 PolarHBondContact N-O 3.49Å; F78-N80 PolarHBondContact O-N 3.01Å
81	F	91.9	Very high	90.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	17%	0.173	C	C	.	.			trans	-120.2	32	-175.9	-66.8	-90.8	0	0	0	112.7	V23 L50 L53 Y61 L63 F78 N83 A84 L105	V23-F81 HydrophobicContact CG1-CE1 4.4Å; V23-F81 HydrophobicContact CG1-CZ 4.37Å; L50-F81 HydrophobicContact CB-CE2 4.11Å; L53-F81 HydrophobicContact CB-CE2 4.24Å; L53-F81 HydrophobicContact CB-CZ 3.79Å; Y61-F81 HydrophobicContact CE2-CD1 4.32Å; Y61-F81 WeakPolarHBondContact OH-CA 3.37Å; Y61-F81 PolarHBondContact OH-O 2.87Å; L63-F81 HydrophobicContact CD1-CD1 4.26Å; L63-F81 HydrophobicContact CD1-CE1 4.21Å; L63-F81 HydrophobicContact CD2-CB 4.15Å; L63-F81 HydrophobicContact CD2-CD1 3.55Å; L63-F81 HydrophobicContact CD2-CE1 4.09Å; L63-F81 HydrophobicContact CD2-CG 3.92Å; F78-F81 WeakPolarHBondContact O-CB 3.15Å; F78-F81 PolarHBondContact O-N 3.46Å; F81-N83 PolarHBondContact O-N 2.93Å; F81-A84 VanDerWaalsContact O-CB 3.3Å; F81-A84 WeakPolarHBondContact O-CB 3.47Å; F81-A84 PolarHBondContact O-N 3.33Å; F81-L105 HydrophobicContact CB-CD2 4.13Å; F81-L105 WeakPolarHBondContact O-CD2 3.26Å
82	Y	90.4	Very high	90	Very high	104 Å²	104	30.7 Å²	30.7	41%	0.408	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16	-168.2	57.7	-95.4	0	0	0	116.6	S57 G104	S57-Y82 WeakPolarHBondContact CA-OH 3.2Å; S57-Y82 WeakPolarHBondContact CB-OH 3.48Å; Y82-G104 VanDerWaalsContact CA-O 3.3Å; Y82-G104 WeakPolarHBondContact CA-O 3.43Å; Y82-G104 WeakPolarHBondContact CB-O 3.4Å
83	N	91.3	Very high	89.8	Confident	21 Å²	21	26.7 Å²	26.7	11%	0.112	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	5.5	175.2	-80.3	0.9	0	0	0	113.5	P56 S57 H59 F60 Y61 F81	P56-N83 PolarHBondContact O-ND2 3Å; S57-N83 VanDerWaalsContact C-ND2 3.34Å; S57-N83 PolarHBondContact O-ND2 2.93Å; H59-N83 WeakPolarHBondContact O-CB 3.38Å; H59-N83 PolarHBondContact O-ND2 3.14Å; H59-N83 VanDerWaalsContact O-ND2 3.11Å; F60-N83 WeakPolarHBondContact CA-O 3.18Å; F60-N83 HydrophobicContact CD1-CB 4.24Å; Y61-N83 HydrophobicContact CD1-CB 4.12Å; Y61-N83 HydrophobicContact CE1-CB 3.6Å; Y61-N83 PolarHBondContact N-O 2.71Å; Y61-N83 VanDerWaalsContact N-O 3.16Å; F81-N83 PolarHBondContact O-N 2.93Å
84	A	89.9	Confident	89.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	132.7	175.9	0	0	0	0	0	110.9	Y61 L63 F81 L105 L107 V108	Y61-A84 HydrophobicContact CD2-CB 4.27Å; Y61-A84 HydrophobicContact CE2-CB 3.74Å; Y61-A84 CarbonylContact O-C 3.3Å; Y61-A84 VanDerWaalsContact O-CA 3.31Å; Y61-A84 WeakPolarHBondContact O-CA 3.16Å; L63-A84 HydrophobicContact CB-CB 4.34Å; F81-A84 VanDerWaalsContact O-CB 3.3Å; F81-A84 WeakPolarHBondContact O-CB 3.47Å; F81-A84 PolarHBondContact O-N 3.33Å; A84-L105 HydrophobicContact CB-CD2 3.97Å; A84-L107 CarbonylContact O-C 3.53Å; A84-V108 HydrophobicContact CB-CG2 4Å; A84-V108 WeakPolarHBondContact O-CG2 3.34Å; A84-V108 PolarHBondContact O-N 3Å
85	V	88	Confident	89.8	Confident	33 Å²	33	26.7 Å²	26.7	20%	0.2	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-29.8	177.7	176.7	0	0	0	0	111.5	F60 Y61 V108 K109 R110	F60-V85 HydrophobicContact CB-CG2 3.79Å; F60-V85 HydrophobicContact CD1-CG2 4.4Å; F60-V85 HydrophobicContact CG-CG2 4.28Å; Y61-V85 PolarHBondContact O-N 3.04Å; V85-V108 CarbonylContact O-C 3.23Å; V85-V108 WeakPolarHBondContact O-CA 3.17Å; V85-K109 HydrophobicContact CG1-CD 4.06Å; V85-K109 PolarHBondContact O-N 3.16Å; V85-R110 PolarHBondContact O-N 3.02Å
86	S	85.4	Confident	89.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148	173.4	-176.1	0	0	0	0	110.9	H62 L63 H88 R110 D554	H62-S86 WeakPolarHBondContact ND1-CB 3.42Å; L63-S86 PolarHBondContact N-O 3.4Å; S86-H88 PolarHBondContact OG-NE2 3.15Å; S86-R110 WeakPolarHBondContact CA-O 3.39Å; S86-D554 WeakPolarHBondContact CB-OD1 3.49Å; S86-D554 PolarHBondContact OG-OD1 3.29Å
87	L	91.3	Very high	90.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	117.1	-178.2	177.5	55.7	0	0	0	111.7	L63 L65 F78 L89 F102 L105 V108 R110 L111 H112	L63-L87 HydrophobicContact CB-CD1 4.33Å; L63-L87 HydrophobicContact CD2-CD1 4.1Å; L63-L87 HydrophobicContact CG-CD1 4.2Å; L65-L87 HydrophobicContact CD1-CD1 3.98Å; F78-L87 HydrophobicContact CD1-CD2 4.4Å; F78-L87 HydrophobicContact CE1-CD1 3.95Å; F78-L87 HydrophobicContact CE1-CD2 4.06Å; F78-L87 HydrophobicContact CE2-CD2 4.44Å; F78-L87 HydrophobicContact CZ-CD1 4.46Å; F78-L87 HydrophobicContact CZ-CD2 4.09Å; L87-L89 HydrophobicContact CD1-CD1 4.29Å; L87-L89 HydrophobicContact CD1-CD2 4.21Å; L87-L89 HydrophobicContact CD1-CG 3.94Å; L87-L89 HydrophobicContact CD2-CD1 3.89Å; L87-L89 HydrophobicContact CD2-CG 4.43Å; L87-L89 HydrophobicContact CG-CD1 3.93Å; L87-L89 HydrophobicContact CG-CG 3.95Å; L87-F102 HydrophobicContact CD2-CD1 4.06Å; L87-F102 HydrophobicContact CD2-CE1 3.97Å; L87-L105 HydrophobicContact CD2-CD1 3.57Å; L87-V108 HydrophobicContact CB-CG1 4.21Å; L87-R110 PolarHBondContact N-O 2.03Å; L87-L111 HydrophobicContact CB-CD1 4.06Å; L87-L111 HydrophobicContact CD2-CD1 3.98Å; L87-L111 HydrophobicContact CG-CD1 3.9Å; L87-H112 PolarHBondContact O-N 3.33Å
88	H	84.4	Confident	90.2	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	111.9	-178.8	-71.9	-87.1	0	0	0	110.7	L63 L64 L65 S86 E90 H112 A553	L63-H88 PolarHBondContact O-N 3.18Å; L64-H88 HydrophobicContact CD2-CB 3.99Å; L64-H88 VanDerWaalsContact CD2-CD2 3.45Å; L64-H88 WeakPolarHBondContact CD2-CD2 3.34Å; L65-H88 CarbonylContact C-O 3.41Å; L65-H88 WeakPolarHBondContact CA-O 3.25Å; L65-H88 VanDerWaalsContact CB-O 3.31Å; L65-H88 WeakPolarHBondContact CB-O 3.15Å; L65-H88 PolarHBondContact N-O 3.24Å; S86-H88 PolarHBondContact OG-NE2 3.15Å; H88-E90 VanDerWaalsContact CA-OE2 3.22Å; H88-E90 WeakPolarHBondContact CA-OE2 3.49Å; H88-E90 WeakPolarHBondContact CB-OE2 3.48Å; H88-E90 IonicContact CE1-OE1 2.74Å; H88-E90 IonicContact CG-OE1 2.6Å; H88-E90 IonicContact CG-OE2 2.84Å; H88-E90 IonicContact ND1-OE1 3.46Å; H88-E90 PolarHBondContact ND1-OE1 3.22Å; H88-E90 IonicContact ND1-OE2 3.19Å; H88-H112 AromaticContact CE1-CD2 3.22Å; H88-H112 PolarHBondContact CE1-CD2 3.25Å; H88-H112 AromaticContact CE1-CE1 3.96Å; H88-H112 AromaticContact CE1-CG 3.67Å; H88-H112 AromaticContact CE1-NE2 3.48Å; H88-H112 PolarHBondContact CE1-NE2 2.93Å; H88-H112 AromaticContact ND1-CD2 3.5Å; H88-H112 PolarHBondContact ND1-CD2 3.43Å; H88-H112 AromaticContact ND1-CG 3.61Å; H88-H112 AromaticContact NE2-CD2 3.79Å; H88-A553 PolarHBondContact CE1-O 2.89Å; H88-A553 WeakPolarHBondContact NE2-CB 3.39Å
89	L	91.4	Very high	90.1	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.142	C	C	.	.			trans	-123.6	17.6	-175.7	-70.3	170.3	0	0	0	113.1	L65 L70 L73 F78 L87 N92 F102 L111 H112 I113 N116	L65-L89 HydrophobicContact CB-CD2 3.95Å; L65-L89 HydrophobicContact CD1-CD2 4.15Å; L70-L89 HydrophobicContact CD1-CD2 3.78Å; L73-L89 HydrophobicContact CD1-CD1 3.98Å; F78-L89 HydrophobicContact CZ-CD1 4.11Å; F78-L89 HydrophobicContact CZ-CD2 4.05Å; L87-L89 HydrophobicContact CD1-CD1 4.29Å; L87-L89 HydrophobicContact CD1-CD2 4.21Å; L87-L89 HydrophobicContact CD1-CG 3.94Å; L87-L89 HydrophobicContact CD2-CD1 3.89Å; L87-L89 HydrophobicContact CD2-CG 4.43Å; L87-L89 HydrophobicContact CG-CD1 3.93Å; L87-L89 HydrophobicContact CG-CG 3.95Å; L89-N92 PolarHBondContact O-ND2 2.95Å; L89-N92 VanDerWaalsContact O-ND2 3.1Å; L89-F102 HydrophobicContact CD1-CE1 4.06Å; L89-L111 HydrophobicContact CD1-CD1 4.21Å; L89-H112 PolarHBondContact N-O 3.16Å; L89-I113 HydrophobicContact CB-CG2 4.09Å; L89-I113 HydrophobicContact CD1-CG2 4.18Å; L89-N116 PolarHBondContact O-ND2 3.09Å
90	E	84.8	Confident	90.2	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.019	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	155.8	179.1	-50	89.7	147.7	0	0	111.4	H66 G67 H88 N92 H112 S114	H66-E90 WeakPolarHBondContact CA-O 3.45Å; H66-E90 HydrophobicContact CB-CB 3.97Å; H66-E90 VanDerWaalsContact CB-O 3.26Å; H66-E90 WeakPolarHBondContact CB-O 3.33Å; G67-E90 PolarHBondContact N-O 3.08Å; H88-E90 VanDerWaalsContact CA-OE2 3.22Å; H88-E90 WeakPolarHBondContact CA-OE2 3.49Å; H88-E90 WeakPolarHBondContact CB-OE2 3.48Å; H88-E90 IonicContact CE1-OE1 2.74Å; H88-E90 IonicContact CG-OE1 2.6Å; H88-E90 IonicContact CG-OE2 2.84Å; H88-E90 IonicContact ND1-OE1 3.46Å; H88-E90 PolarHBondContact ND1-OE1 3.22Å; H88-E90 IonicContact ND1-OE2 3.19Å; E90-N92 PolarHBondContact O-N 2.96Å; E90-N92 PolarHBondContact O-ND2 3.35Å; E90-H112 HydrophobicContact CG-CB 4.18Å; E90-H112 WeakPolarHBondContact OE1-CB 3.32Å; E90-H112 IonicContact OE1-CG 2.87Å; E90-S114 VanDerWaalsContact CA-O 3.29Å; E90-S114 WeakPolarHBondContact CA-O 3.36Å
91	N	83.9	Confident	90.4	Very high	47 Å²	47	21.4 Å²	21.4	25%	0.251	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	17.4	170.5	-62.6	-58.6	0	0	0	115.8	S114 N115 D559	N91-S114 PolarHBondContact N-O 3.49Å; N91-N115 PolarHBondContact OD1-ND2 3.37Å; N91-D559 VanDerWaalsContact ND2-CG 3.28Å; N91-D559 PolarHBondContact ND2-OD1 3.1Å; N91-D559 PolarHBondContact ND2-OD2 2.93Å
92	N	88.8	Confident	90.6	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.037	12%	0.115	C	C	.	.	S	Bend	trans	-86	-11	-177.2	-93.3	-83.9	0	0	0	114.4	L65 N68 S69 L70 L89 E90 L94 N116	L65-N92 PolarHBondContact O-ND2 3.24Å; N68-N92 WeakPolarHBondContact CA-OD1 3.23Å; N68-N92 WeakPolarHBondContact CB-OD1 3.32Å; N68-N92 PolarHBondContact N-OD1 2.7Å; S69-N92 PolarHBondContact N-OD1 3.1Å; L70-N92 HydrophobicContact CB-CB 4.28Å; L70-N92 VanDerWaalsContact CB-OD1 3.3Å; L70-N92 WeakPolarHBondContact CB-OD1 3.26Å; L70-N92 WeakPolarHBondContact CG-OD1 3.41Å; L70-N92 PolarHBondContact N-OD1 3.19Å; L70-N92 VanDerWaalsContact N-OD1 3.15Å; L89-N92 PolarHBondContact O-ND2 2.95Å; L89-N92 VanDerWaalsContact O-ND2 3.1Å; E90-N92 PolarHBondContact O-N 2.96Å; E90-N92 PolarHBondContact O-ND2 3.35Å; N92-L94 HydrophobicContact CB-CB 4.42Å; N92-L94 PolarHBondContact O-N 3.21Å; N92-N116 PolarHBondContact N-OD1 3.14Å
93	G	90.3	Very high	90.6	Very high	20 Å²	20	19.4 Å²	19.4	21%	0.206	11%	0.111	C	C	.	.			trans	66.4	24	-170	0	0	0	0	0	113	H95 N116	G93-H95 PolarHBondContact O-N 3.02Å; G93-N116 PolarHBondContact N-OD1 3.23Å
94	L	94.7	Very high	90.4	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	12%	0.118	C	C	.	.			trans	-60.1	124.6	179.3	179.5	58.9	0	0	0	110	L70 S71 L73 N92 D96 I97 N116 K117 M118	L70-L94 WeakPolarHBondContact O-CD1 3.27Å; S71-L94 WeakPolarHBondContact O-CA 3.45Å; L73-L94 HydrophobicContact CD1-CD1 4.25Å; L73-L94 HydrophobicContact CD1-CD2 3.93Å; L73-L94 HydrophobicContact CG-CD1 3.86Å; L73-L94 HydrophobicContact CG-CD2 4.42Å; N92-L94 HydrophobicContact CB-CB 4.42Å; N92-L94 PolarHBondContact O-N 3.21Å; L94-D96 WeakPolarHBondContact CD1-O 3.39Å; L94-I97 HydrophobicContact CD1-CG1 4.11Å; L94-I97 HydrophobicContact CD2-CD1 3.92Å; L94-I97 HydrophobicContact CD2-CG1 3.91Å; L94-I97 HydrophobicContact CG-CG1 4.18Å; L94-N116 HydrophobicContact CB-CB 4.15Å; L94-N116 WeakPolarHBondContact CB-OD1 3.24Å; L94-N116 PolarHBondContact N-OD1 3.47Å; L94-K117 CarbonylContact O-C 3.54Å; L94-K117 VanDerWaalsContact O-CA 3.3Å; L94-K117 WeakPolarHBondContact O-CA 3.05Å; L94-K117 PolarHBondContact O-N 2.94Å; L94-M118 HydrophobicContact CD2-SD 4.49Å; L94-M118 HydrophobicContact CG-CG 4.47Å; L94-M118 HydrophobicContact CG-SD 3.89Å; L94-M118 PolarHBondContact O-N 2.87Å; L94-M118 VanDerWaalsContact O-N 3.15Å
95	H	93.7	Very high	90.5	Very high	89 Å²	89	19.6 Å²	19.6	41%	0.412	12%	0.118	S	C	.	.			trans	-126.2	-8.2	-178	65.6	-83.7	0	0	0	114	S71 G93 K117 M118	S71-H95 PolarHBondContact O-CE1 3.16Å; S71-H95 PolarHBondContact O-N 3.38Å; S71-H95 PolarHBondContact O-ND1 3.08Å; G93-H95 PolarHBondContact O-N 3.02Å; H95-K117 HydrophobicContact CB-CB 4.05Å; H95-M118 VanDerWaalsContact C-SD 3.52Å
96	D	92.7	Very high	90.6	Very high	19 Å²	19	23.6 Å²	23.6	10%	0.102	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	130.8	178.2	-168.4	29.3	0	0	0	111.1	R72 L73 L94 K122	R72-D96 VanDerWaalsContact CA-O 3.29Å; R72-D96 WeakPolarHBondContact CA-O 3.5Å; R72-D96 HydrophobicContact CG-CB 4.3Å; R72-D96 IonicContact CZ-OD2 3.12Å; R72-D96 IonicContact NE-OD2 3.18Å; R72-D96 PolarHBondContact NE-OD2 3.35Å; R72-D96 IonicContact NH2-OD2 2.62Å; R72-D96 PolarHBondContact NH2-OD2 3.32Å; L73-D96 PolarHBondContact N-O 3.18Å; L73-D96 VanDerWaalsContact N-O 3.11Å; L94-D96 WeakPolarHBondContact CD1-O 3.39Å; D96-K122 IonicContact OD1-NZ 3.51Å; D96-K122 PolarHBondContact OD1-NZ 3.08Å; D96-K122 IonicContact OD2-NZ 2.76Å
97	I	95.1	Very high	90.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.3	174.3	-58.1	175.3	0	0	0	106.2	L73 L94 A101 F102 M118 T125	L73-I97 HydrophobicContact CB-CG2 4.42Å; L73-I97 HydrophobicContact CD1-CG1 4.22Å; L94-I97 HydrophobicContact CD1-CG1 4.11Å; L94-I97 HydrophobicContact CD2-CD1 3.92Å; L94-I97 HydrophobicContact CD2-CG1 3.91Å; L94-I97 HydrophobicContact CG-CG1 4.18Å; I97-A101 HydrophobicContact CG2-CB 3.86Å; I97-F102 HydrophobicContact CD1-CE2 4.32Å; I97-F102 HydrophobicContact CD1-CZ 4.09Å; I97-F102 HydrophobicContact CG2-CE2 3.79Å; I97-F102 HydrophobicContact CG2-CZ 4.18Å; I97-M118 HydrophobicContact CB-CE 4.24Å; I97-M118 HydrophobicContact CD1-CE 3.74Å; I97-M118 HydrophobicContact CD1-SD 4.2Å; I97-M118 HydrophobicContact CG1-CE 3.67Å; I97-M118 HydrophobicContact CG1-SD 3.94Å; I97-T125 HydrophobicContact CB-CG2 3.89Å; I97-T125 HydrophobicContact CD1-CG2 4.16Å; I97-T125 HydrophobicContact CG2-CG2 3.82Å
98	V	93.5	Very high	91	Very high	40 Å²	40	26.8 Å²	26.8	24%	0.242	15%	0.151	C	C	.	.			trans	-78.3	135.5	178.3	-176.3	0	0	0	0	108.9	R72 L73 P75 G100 A101	R72-V98 HydrophobicContact CG-CG2 4.43Å; L73-V98 WeakPolarHBondContact O-CB 3.43Å; L73-V98 VanDerWaalsContact O-CG2 3.32Å; L73-V98 WeakPolarHBondContact O-CG2 3.37Å; L73-V98 PolarHBondContact O-N 2.94Å; P75-V98 HydrophobicContact CG-CB 4.31Å; P75-V98 HydrophobicContact CG-CG1 3.7Å; V98-G100 PolarHBondContact O-N 3.42Å; V98-A101 VanDerWaalsContact O-CB 3.24Å; V98-A101 WeakPolarHBondContact O-CB 3.17Å; V98-A101 PolarHBondContact O-N 2.87Å
99	P	91.9	Very high	91.3	Very high	57 Å²	57	30.2 Å²	30.2	37%	0.37	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	135.3	178.6	-31.3	37.2	0	0	0	113.2	S124	P99-S124 WeakPolarHBondContact CA-O 3.22Å
100	G	90.4	Very high	91	Very high	2 Å²	2	33 Å²	33	2%	0.021	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	15.3	-173.3	0	0	0	0	0	115	P75 N76 V98 F102 L103	P75-G100 WeakPolarHBondContact CA-O 3.43Å; N76-G100 PolarHBondContact N-O 3.13Å; V98-G100 PolarHBondContact O-N 3.42Å; G100-F102 VanDerWaalsContact C-N 3.29Å; G100-F102 PolarHBondContact O-N 2.86Å; G100-L103 WeakPolarHBondContact O-CB 3.14Å; G100-L103 WeakPolarHBondContact O-CD1 3.19Å; G100-L103 WeakPolarHBondContact O-CG 3.42Å; G100-L103 PolarHBondContact O-N 3.39Å
101	A	94.4	Very high	91.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-40.7	172.6	0	0	0	0	0	112.8	L73 F74 E77 I97 V98 L103	L73-A101 HydrophobicContact CB-CB 3.84Å; F74-A101 VanDerWaalsContact O-CA 3.24Å; F74-A101 WeakPolarHBondContact O-CA 3.47Å; F74-A101 WeakPolarHBondContact O-CB 3.4Å; E77-A101 PolarHBondContact N-O 2.99Å; I97-A101 HydrophobicContact CG2-CB 3.86Å; V98-A101 VanDerWaalsContact O-CB 3.24Å; V98-A101 WeakPolarHBondContact O-CB 3.17Å; V98-A101 PolarHBondContact O-N 2.87Å; A101-L103 VanDerWaalsContact C-N 3.29Å; A101-L103 PolarHBondContact O-N 3.25Å
102	F	95.4	Very high	91.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	9.9	-178.9	-53.7	-67.6	0	0	0	114.1	L73 F78 L87 L89 I97 G100 G104 L105 L111 T125 F126 L129	L73-F102 HydrophobicContact CD1-CE1 4.08Å; L73-F102 HydrophobicContact CD1-CZ 4.16Å; F78-F102 HydrophobicContact CD2-CD1 4.01Å; F78-F102 AromaticContact CE2-CD1 3.97Å; F78-F102 HydrophobicContact CE2-CD1 3.97Å; F78-F102 HydrophobicContact CE2-CE1 4.06Å; L87-F102 HydrophobicContact CD2-CD1 4.06Å; L87-F102 HydrophobicContact CD2-CE1 3.97Å; L89-F102 HydrophobicContact CD1-CE1 4.06Å; I97-F102 HydrophobicContact CD1-CE2 4.32Å; I97-F102 HydrophobicContact CD1-CZ 4.09Å; I97-F102 HydrophobicContact CG2-CE2 3.79Å; I97-F102 HydrophobicContact CG2-CZ 4.18Å; G100-F102 VanDerWaalsContact C-N 3.29Å; G100-F102 PolarHBondContact O-N 2.86Å; F102-G104 PolarHBondContact O-N 3.45Å; F102-L105 HydrophobicContact CB-CD1 4.08Å; F102-L105 HydrophobicContact CD1-CD1 3.84Å; F102-L105 HydrophobicContact CG-CD1 4.45Å; F102-L105 WeakPolarHBondContact O-CB 3.37Å; F102-L105 PolarHBondContact O-N 3.26Å; F102-L111 HydrophobicContact CE1-CD1 4.38Å; F102-L111 HydrophobicContact CE1-CD2 4.39Å; F102-L111 HydrophobicContact CE2-CD2 4.35Å; F102-L111 HydrophobicContact CZ-CD2 3.99Å; F102-T125 WeakPolarHBondContact CD2-O 3.07Å; F102-F126 HydrophobicContact CD2-CD1 4.49Å; F102-F126 AromaticContact CE2-CD1 3.94Å; F102-F126 HydrophobicContact CE2-CD1 3.94Å; F102-F126 HydrophobicContact CE2-CE1 4.42Å; F102-L129 HydrophobicContact CB-CD1 4.08Å; F102-L129 HydrophobicContact CB-CD2 3.88Å; F102-L129 HydrophobicContact CB-CG 3.72Å; F102-L129 HydrophobicContact CD1-CD1 4.35Å; F102-L129 HydrophobicContact CD2-CD1 3.74Å; F102-L129 HydrophobicContact CD2-CG 4.3Å; F102-L129 HydrophobicContact CE2-CD1 4.18Å; F102-L129 HydrophobicContact CG-CD1 3.81Å; F102-L129 HydrophobicContact CG-CD2 4.25Å; F102-L129 HydrophobicContact CG-CG 4.03Å
103	L	91.9	Very high	91.7	Very high	63 Å²	63	30.2 Å²	30.2	33%	0.33	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	124.2	175.1	-74.5	171.2	0	0	0	110.7	N76 A79 G100 A101 L127	N76-L103 VanDerWaalsContact OD1-CB 3.28Å; N76-L103 WeakPolarHBondContact OD1-CB 3.41Å; N76-L103 WeakPolarHBondContact OD1-CD1 3.48Å; A79-L103 WeakPolarHBondContact CA-O 3.16Å; G100-L103 WeakPolarHBondContact O-CB 3.14Å; G100-L103 WeakPolarHBondContact O-CD1 3.19Å; G100-L103 WeakPolarHBondContact O-CG 3.42Å; G100-L103 PolarHBondContact O-N 3.39Å; A101-L103 VanDerWaalsContact C-N 3.29Å; A101-L103 PolarHBondContact O-N 3.25Å; L103-L127 HydrophobicContact CD2-CG 4.23Å
104	G	85.6	Confident	91.6	Very high	25 Å²	25	29.4 Å²	29.4	26%	0.258	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.8	-18.1	-173.1	0	0	0	0	0	114.1	Y82 F102 Q106	Y82-G104 VanDerWaalsContact CA-O 3.3Å; Y82-G104 WeakPolarHBondContact CA-O 3.43Å; Y82-G104 WeakPolarHBondContact CB-O 3.4Å; F102-G104 PolarHBondContact O-N 3.45Å; G104-Q106 VanDerWaalsContact C-N 3.28Å; G104-Q106 PolarHBondContact O-N 2.9Å
105	L	93.4	Very high	91.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.			trans	-90.2	43.4	-176.7	-66.8	176.4	0	0	0	113.8	F78 F81 A84 L87 F102 L107 V108 G128 L129	F78-L105 HydrophobicContact CB-CD1 3.55Å; F78-L105 HydrophobicContact CB-CD2 3.92Å; F78-L105 HydrophobicContact CB-CG 3.63Å; F78-L105 HydrophobicContact CD1-CD1 4.2Å; F78-L105 HydrophobicContact CD2-CD1 3.97Å; F78-L105 HydrophobicContact CG-CD1 3.66Å; F78-L105 HydrophobicContact CG-CG 4.3Å; F81-L105 HydrophobicContact CB-CD2 4.13Å; F81-L105 WeakPolarHBondContact O-CD2 3.26Å; A84-L105 HydrophobicContact CB-CD2 3.97Å; L87-L105 HydrophobicContact CD2-CD1 3.57Å; F102-L105 HydrophobicContact CB-CD1 4.08Å; F102-L105 HydrophobicContact CD1-CD1 3.84Å; F102-L105 HydrophobicContact CG-CD1 4.45Å; F102-L105 WeakPolarHBondContact O-CB 3.37Å; F102-L105 PolarHBondContact O-N 3.26Å; L105-L107 PolarHBondContact O-N 2.89Å; L105-L107 VanDerWaalsContact O-N 3.1Å; L105-V108 HydrophobicContact CB-CB 4.28Å; L105-V108 HydrophobicContact CB-CG2 3.73Å; L105-V108 HydrophobicContact CD1-CG2 4.37Å; L105-V108 HydrophobicContact CD2-CG2 3.89Å; L105-V108 HydrophobicContact CG-CG2 4.22Å; L105-V108 PolarHBondContact O-N 2.88Å; L105-V108 VanDerWaalsContact O-N 3.09Å; L105-G128 CarbonylContact C-O 3.29Å; L105-G128 VanDerWaalsContact C-O 3.29Å; L105-L129 HydrophobicContact CB-CD2 3.74Å; L105-L129 HydrophobicContact CD1-CD2 4.24Å
106	Q	89.6	Confident	91.1	Very high	117 Å²	117	30 Å²	30	55%	0.547	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.9	-171.3	-57.7	-168.8	-74.4	0	0	114.4	G104 G128 D130 D131	G104-Q106 VanDerWaalsContact C-N 3.28Å; G104-Q106 PolarHBondContact O-N 2.9Å; Q106-G128 WeakPolarHBondContact CA-O 3.36Å; Q106-G128 PolarHBondContact N-O 3.19Å; Q106-D130 PolarHBondContact NE2-OD2 2.83Å; Q106-D130 VanDerWaalsContact NE2-OD2 3.13Å; Q106-D131 WeakPolarHBondContact O-CB 3.2Å
107	L	91.1	Very high	91.2	Very high	67 Å²	67	34.9 Å²	34.9	35%	0.351	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-0.6	-179.9	-59	179.5	0	0	0	113.4	F60 A84 L105 K109	F60-L107 HydrophobicContact CD1-CD1 4.03Å; F60-L107 HydrophobicContact CE1-CD1 3.51Å; F60-L107 HydrophobicContact CZ-CD1 4.47Å; A84-L107 CarbonylContact O-C 3.53Å; L105-L107 PolarHBondContact O-N 2.89Å; L105-L107 VanDerWaalsContact O-N 3.1Å; L107-K109 PolarHBondContact O-N 3.44Å; L107-K109 VanDerWaalsContact O-N 3.11Å
108	V	94.2	Very high	91.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.			trans	-72.5	109.1	179.6	172.6	0	0	0	0	109.2	A84 V85 L87 L105 R110 L129 D131 L132	A84-V108 HydrophobicContact CB-CG2 4Å; A84-V108 WeakPolarHBondContact O-CG2 3.34Å; A84-V108 PolarHBondContact O-N 3Å; V85-V108 CarbonylContact O-C 3.23Å; V85-V108 WeakPolarHBondContact O-CA 3.17Å; L87-V108 HydrophobicContact CB-CG1 4.21Å; L105-V108 HydrophobicContact CB-CB 4.28Å; L105-V108 HydrophobicContact CB-CG2 3.73Å; L105-V108 HydrophobicContact CD1-CG2 4.37Å; L105-V108 HydrophobicContact CD2-CG2 3.89Å; L105-V108 HydrophobicContact CG-CG2 4.22Å; L105-V108 PolarHBondContact O-N 2.88Å; L105-V108 VanDerWaalsContact O-N 3.09Å; V108-R110 WeakPolarHBondContact CG1-O 3.39Å; V108-L129 HydrophobicContact CB-CD2 3.8Å; V108-L129 HydrophobicContact CG1-CD2 3.97Å; V108-L129 HydrophobicContact CG2-CD2 4.47Å; V108-D131 CarbonylContact O-C 3.54Å; V108-L132 HydrophobicContact CG1-CD1 4.07Å; V108-L132 WeakPolarHBondContact O-CA 3.06Å; V108-L132 PolarHBondContact O-N 2.98Å
109	K	89.7	Confident	91.3	Very high	73 Å²	73	40.4 Å²	40.4	32%	0.317	20%	0.196	S	C	.	.			trans	-81.4	-27.5	173.7	-73.6	167.2	160.1	-81.7	0	112.2	V85 L107 D131 L132 E133 Y134	V85-K109 HydrophobicContact CG1-CD 4.06Å; V85-K109 PolarHBondContact O-N 3.16Å; L107-K109 PolarHBondContact O-N 3.44Å; L107-K109 VanDerWaalsContact O-N 3.11Å; K109-D131 WeakPolarHBondContact CA-O 3.48Å; K109-L132 CarbonylContact O-C 3.46Å; K109-E133 IonicContact NZ-OE1 2.32Å; K109-E133 PolarHBondContact NZ-OE1 2.9Å; K109-E133 IonicContact NZ-OE2 2.66Å; K109-E133 PolarHBondContact NZ-OE2 3.4Å; K109-E133 PolarHBondContact O-N 2.81Å; K109-Y134 PolarHBondContact O-N 3.1Å; K109-Y134 VanDerWaalsContact O-N 3.07Å
110	R	86.1	Confident	91.5	Very high	60 Å²	60	39.3 Å²	39.3	23%	0.226	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	132.2	-168.7	-55	-166.2	160.6	-143.6	8.9	112.4	V85 S86 L87 V108 Y134 D554	V85-R110 PolarHBondContact O-N 3.02Å; S86-R110 WeakPolarHBondContact CA-O 3.39Å; L87-R110 PolarHBondContact N-O 2.03Å; V108-R110 WeakPolarHBondContact CG1-O 3.39Å; R110-Y134 WeakPolarHBondContact CA-O 3.4Å; R110-Y134 HydrophobicContact CB-CD1 4.47Å; R110-D554 VanDerWaalsContact CB-OD1 3.29Å; R110-D554 WeakPolarHBondContact CB-OD1 3.44Å; R110-D554 VanDerWaalsContact CD-OD1 3.27Å; R110-D554 WeakPolarHBondContact CD-OD1 3.22Å; R110-D554 PolarHBondContact NH1-O 3.14Å
111	L	93.8	Very high	91.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119.5	-176.2	176.6	60.4	0	0	0	110.8	L87 L89 F102 I113 F126 L129 L132 Y134 L135 Q136	L87-L111 HydrophobicContact CB-CD1 4.06Å; L87-L111 HydrophobicContact CD2-CD1 3.98Å; L87-L111 HydrophobicContact CG-CD1 3.9Å; L89-L111 HydrophobicContact CD1-CD1 4.21Å; F102-L111 HydrophobicContact CE1-CD1 4.38Å; F102-L111 HydrophobicContact CE1-CD2 4.39Å; F102-L111 HydrophobicContact CE2-CD2 4.35Å; F102-L111 HydrophobicContact CZ-CD2 3.99Å; L111-I113 HydrophobicContact CD1-CG2 3.79Å; L111-I113 HydrophobicContact CD2-CG2 4.35Å; L111-I113 HydrophobicContact CG-CG2 3.97Å; L111-F126 HydrophobicContact CD2-CD1 3.87Å; L111-F126 HydrophobicContact CD2-CE1 3.87Å; L111-L129 HydrophobicContact CD2-CD1 3.62Å; L111-L132 HydrophobicContact CB-CD1 3.74Å; L111-L132 HydrophobicContact CB-CD2 4.44Å; L111-Y134 PolarHBondContact N-O 2.04Å; L111-L135 HydrophobicContact CB-CD1 4.07Å; L111-L135 HydrophobicContact CD2-CD1 3.87Å; L111-L135 HydrophobicContact CG-CD1 3.96Å; L111-Q136 PolarHBondContact O-N 2.86Å
112	H	85.9	Confident	91.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.7	177.7	-53.9	-103.2	0	0	0	109.1	L87 H88 L89 E90 Y134 Q136 D554	L87-H112 PolarHBondContact O-N 3.33Å; H88-H112 AromaticContact CE1-CD2 3.22Å; H88-H112 PolarHBondContact CE1-CD2 3.25Å; H88-H112 AromaticContact CE1-CE1 3.96Å; H88-H112 AromaticContact CE1-CG 3.67Å; H88-H112 AromaticContact CE1-NE2 3.48Å; H88-H112 PolarHBondContact CE1-NE2 2.93Å; H88-H112 AromaticContact ND1-CD2 3.5Å; H88-H112 PolarHBondContact ND1-CD2 3.43Å; H88-H112 AromaticContact ND1-CG 3.61Å; H88-H112 AromaticContact NE2-CD2 3.79Å; L89-H112 PolarHBondContact N-O 3.16Å; E90-H112 HydrophobicContact CG-CB 4.18Å; E90-H112 WeakPolarHBondContact OE1-CB 3.32Å; E90-H112 IonicContact OE1-CG 2.87Å; H112-Y134 AromaticContact CE1-CD1 3.94Å; H112-Y134 AromaticContact CE1-CE1 3.33Å; H112-Y134 WeakPolarHBondContact CE1-CE1 3.45Å; H112-Y134 AromaticContact ND1-CE1 3.75Å; H112-Y134 AromaticContact NE2-CE1 3.99Å; H112-Q136 PolarHBondContact ND1-OE1 3.33Å; H112-D554 IonicContact NE2-OD1 2.69Å
113	I	93.1	Very high	91.6	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.			trans	-123	21.9	-179.5	53.5	168.7	0	0	0	112.4	L89 L111 N116 F121 F126 L135 Q136 A137 N140	L89-I113 HydrophobicContact CB-CG2 4.09Å; L89-I113 HydrophobicContact CD1-CG2 4.18Å; L111-I113 HydrophobicContact CD1-CG2 3.79Å; L111-I113 HydrophobicContact CD2-CG2 4.35Å; L111-I113 HydrophobicContact CG-CG2 3.97Å; I113-N116 WeakPolarHBondContact O-CB 3.42Å; I113-N116 PolarHBondContact O-ND2 3.47Å; I113-F121 HydrophobicContact CD1-CE1 3.86Å; I113-F121 HydrophobicContact CD1-CZ 3.69Å; I113-F126 HydrophobicContact CD1-CE1 4.19Å; I113-F126 HydrophobicContact CD1-CZ 4.31Å; I113-L135 HydrophobicContact CD1-CD1 4.32Å; I113-L135 HydrophobicContact CG1-CD1 4.39Å; I113-Q136 VanDerWaalsContact CG1-O 3.25Å; I113-Q136 WeakPolarHBondContact CG1-O 3.45Å; I113-Q136 PolarHBondContact N-O 3.4Å; I113-A137 HydrophobicContact CD1-CB 3.78Å; I113-A137 HydrophobicContact CG1-CB 3.63Å; I113-N140 PolarHBondContact O-ND2 3.03Å
114	S	87.5	Confident	91.5	Very high	3 Å²	3	47 Å²	47	2%	0.021	22%	0.223	C	C	.	.			trans	-71.6	162.4	-173.5	-51.6	0	0	0	0	114.5	E90 N91 N116 Q136 D138	E90-S114 VanDerWaalsContact CA-O 3.29Å; E90-S114 WeakPolarHBondContact CA-O 3.36Å; N91-S114 PolarHBondContact N-O 3.49Å; S114-N116 VanDerWaalsContact C-N 3.28Å; S114-N116 PolarHBondContact O-N 3.04Å; S114-N116 PolarHBondContact O-ND2 3.08Å; S114-Q136 WeakPolarHBondContact OG-CG 3.01Å; S114-Q136 PolarHBondContact OG-NE2 3.41Å; S114-Q136 PolarHBondContact OG-O 3.03Å; S114-D138 VanDerWaalsContact CA-O 3.28Å; S114-D138 WeakPolarHBondContact CA-O 3.34Å; S114-D138 WeakPolarHBondContact CB-O 3.42Å; S114-D138 VanDerWaalsContact CB-OD1 3.25Å; S114-D138 WeakPolarHBondContact CB-OD1 3.33Å; S114-D138 PolarHBondContact OG-OD1 3.22Å
115	N	85.6	Confident	91.9	Very high	93 Å²	93	45.9 Å²	45.9	50%	0.497	21%	0.211	S	C	.	.	S	Bend	trans	47.3	48.3	-175.9	-162.1	23.4	0	0	0	113.6	N91 D138 F139	N91-N115 PolarHBondContact OD1-ND2 3.37Å; N115-D138 PolarHBondContact N-O 2.94Å; N115-D138 VanDerWaalsContact N-O 3.12Å; N115-F139 WeakPolarHBondContact CA-O 3.41Å; N115-F139 HydrophobicContact CB-CB 4.49Å
116	N	92.9	Very high	92	Very high	8 Å²	8	46 Å²	46	4%	0.043	21%	0.212	C	C	.	.	S	Bend	trans	-116	-162.7	176.9	-86.8	-60.6	0	0	0	109.9	L89 N92 G93 L94 I113 S114 N140	L89-N116 PolarHBondContact O-ND2 3.09Å; N92-N116 PolarHBondContact N-OD1 3.14Å; G93-N116 PolarHBondContact N-OD1 3.23Å; L94-N116 HydrophobicContact CB-CB 4.15Å; L94-N116 WeakPolarHBondContact CB-OD1 3.24Å; L94-N116 PolarHBondContact N-OD1 3.47Å; I113-N116 WeakPolarHBondContact O-CB 3.42Å; I113-N116 PolarHBondContact O-ND2 3.47Å; S114-N116 VanDerWaalsContact C-N 3.28Å; S114-N116 PolarHBondContact O-N 3.04Å; S114-N116 PolarHBondContact O-ND2 3.08Å; N116-N140 WeakPolarHBondContact CA-OD1 3.35Å; N116-N140 WeakPolarHBondContact CB-OD1 3.01Å
117	K	95.1	Very high	92.2	Very high	123 Å²	123	43.5 Å²	43.5	54%	0.535	20%	0.201	S	C	.	.			trans	-123.4	24	-175.6	-63.9	178.4	-176.8	173.6	0	111.5	L94 H95 R119 N140 L141	L94-K117 CarbonylContact O-C 3.54Å; L94-K117 VanDerWaalsContact O-CA 3.3Å; L94-K117 WeakPolarHBondContact O-CA 3.05Å; L94-K117 PolarHBondContact O-N 2.94Å; H95-K117 HydrophobicContact CB-CB 4.05Å; K117-R119 PolarHBondContact O-N 2.75Å; K117-N140 PolarHBondContact N-OD1 3.4Å; K117-L141 HydrophobicContact CB-CD1 4.5Å
118	M	95.8	Very high	92.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	19%	0.187	C	C	.	.			trans	-63.7	130	-179.6	-70.1	-62.2	-68.9	0	0	109.9	L94 H95 I97 F121 N140 L141 L142	L94-M118 HydrophobicContact CD2-SD 4.49Å; L94-M118 HydrophobicContact CG-CG 4.47Å; L94-M118 HydrophobicContact CG-SD 3.89Å; L94-M118 PolarHBondContact O-N 2.87Å; L94-M118 VanDerWaalsContact O-N 3.15Å; H95-M118 VanDerWaalsContact C-SD 3.52Å; I97-M118 HydrophobicContact CB-CE 4.24Å; I97-M118 HydrophobicContact CD1-CE 3.74Å; I97-M118 HydrophobicContact CD1-SD 4.2Å; I97-M118 HydrophobicContact CG1-CE 3.67Å; I97-M118 HydrophobicContact CG1-SD 3.94Å; M118-F121 HydrophobicContact CB-CE1 4.36Å; M118-F121 HydrophobicContact CE-CD1 3.91Å; M118-F121 HydrophobicContact CE-CE1 3.95Å; M118-F121 HydrophobicContact CG-CE1 4.49Å; M118-N140 HydrophobicContact CB-CB 4.45Å; M118-N140 WeakPolarHBondContact CB-OD1 3.46Å; M118-N140 PolarHBondContact N-OD1 3.36Å; M118-N140 VanDerWaalsContact N-OD1 3.12Å; M118-L141 CarbonylContact O-C 3.54Å; M118-L141 VanDerWaalsContact O-CA 3.23Å; M118-L141 WeakPolarHBondContact O-CA 3.23Å; M118-L141 WeakPolarHBondContact O-CB 3.48Å; M118-L141 PolarHBondContact O-N 2.93Å; M118-L142 PolarHBondContact O-N 2.91Å; M118-L142 VanDerWaalsContact O-N 3.12Å
119	R	94.9	Very high	92.2	Very high	155 Å²	155	40.6 Å²	40.6	59%	0.585	19%	0.187	S	C	*	.			trans	-106.1	-29.8	-179.3	-66.3	-175	178.5	-164.2	-0.8	113.7	K117 L141 R143 D144	K117-R119 PolarHBondContact O-N 2.75Å; R119-L141 WeakPolarHBondContact CA-O 3.28Å; R119-L141 HydrophobicContact CG-CB 4.34Å; R119-R143 PolarHBondContact O-N 2.9Å; R119-D144 PolarHBondContact O-N 3.38Å
120	S	95	Very high	92.3	Very high	35 Å²	35	40.2 Å²	40.2	25%	0.245	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	148.9	178.4	55.7	0	0	0	0	111.5	D144	S120-D144 CarbonylContact C-O 3.11Å; S120-D144 WeakPolarHBondContact CA-O 3.37Å; S120-D144 WeakPolarHBondContact CB-O 3.12Å
121	F	95.8	Very high	92.6	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.013	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.2	164.3	-60.9	-33.5	0	0	0	109.1	I113 M118 F126 A137 L142 D144 D146 V149 F150 L161	I113-F121 HydrophobicContact CD1-CE1 3.86Å; I113-F121 HydrophobicContact CD1-CZ 3.69Å; M118-F121 HydrophobicContact CB-CE1 4.36Å; M118-F121 HydrophobicContact CE-CD1 3.91Å; M118-F121 HydrophobicContact CE-CE1 3.95Å; M118-F121 HydrophobicContact CG-CE1 4.49Å; F121-F126 HydrophobicContact CD1-CZ 4.2Å; F121-F126 HydrophobicContact CD2-CE2 4.09Å; F121-F126 HydrophobicContact CD2-CZ 4.14Å; F121-F126 HydrophobicContact CE1-CZ 4.1Å; F121-F126 HydrophobicContact CE2-CE2 4.36Å; F121-F126 HydrophobicContact CE2-CZ 4.03Å; F121-F126 HydrophobicContact CG-CE2 4.22Å; F121-F126 HydrophobicContact CG-CZ 4.23Å; F121-F126 HydrophobicContact CZ-CZ 4.01Å; F121-A137 HydrophobicContact CE2-CB 4.37Å; F121-A137 HydrophobicContact CZ-CB 3.83Å; F121-L142 HydrophobicContact CB-CD1 4.48Å; F121-L142 HydrophobicContact CD1-CD1 4.03Å; F121-L142 HydrophobicContact CD2-CD1 3.98Å; F121-L142 HydrophobicContact CD2-CD2 3.76Å; F121-L142 HydrophobicContact CE1-CD1 4.27Å; F121-L142 HydrophobicContact CE2-CD1 4.23Å; F121-L142 HydrophobicContact CE2-CD2 3.47Å; F121-L142 VanDerWaalsContact CE2-CD2 3.47Å; F121-L142 HydrophobicContact CG-CD1 3.87Å; F121-L142 HydrophobicContact CG-CD2 4.48Å; F121-L142 HydrophobicContact CZ-CD1 4.36Å; F121-L142 HydrophobicContact CZ-CD2 3.97Å; F121-D144 PolarHBondContact N-O 3.43Å; F121-D146 WeakPolarHBondContact O-CB 3.41Å; F121-D146 PolarHBondContact O-N 2.89Å; F121-V149 HydrophobicContact CB-CG2 3.59Å; F121-V149 HydrophobicContact CG-CG2 4.42Å; F121-F150 HydrophobicContact CD2-CZ 4.42Å; F121-L161 HydrophobicContact CE2-CD2 4.26Å
122	K	93.7	Very high	92.7	Very high	84 Å²	84	39.5 Å²	39.5	37%	0.365	19%	0.189	S	C	.	.			trans	-95.5	161.6	-176.5	-61.6	162.8	-174.8	166.7	0	110.1	D96 S124 T125	D96-K122 IonicContact OD1-NZ 3.51Å; D96-K122 PolarHBondContact OD1-NZ 3.08Å; D96-K122 IonicContact OD2-NZ 2.76Å; K122-S124 PolarHBondContact O-N 2.71Å; K122-T125 PolarHBondContact N-OG1 3.29Å; K122-T125 WeakPolarHBondContact O-CB 3.26Å; K122-T125 PolarHBondContact O-N 3.22Å; K122-T125 VanDerWaalsContact O-N 3.09Å; K122-T125 PolarHBondContact O-OG1 3.33Å
123	K	92.1	Very high	93	Very high	117 Å²	117	41.8 Å²	41.8	51%	0.509	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	131.5	168.4	-176.4	169.8	178.2	174.4	0	111.6	T125 D146 A148	K123-T125 PolarHBondContact O-N 2.94Å; K123-D146 WeakPolarHBondContact CB-OD2 3.17Å; K123-D146 VanDerWaalsContact N-CB 3.29Å; K123-D146 PolarHBondContact N-OD2 2.87Å; K123-D146 VanDerWaalsContact N-OD2 3.12Å; K123-A148 HydrophobicContact CG-CB 4.28Å
124	S	91.3	Very high	92.8	Very high	22 Å²	22	41.9 Å²	41.9	15%	0.154	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	29.1	177.7	-59.7	0	0	0	0	114.7	P99 K122 F126 L127	P99-S124 WeakPolarHBondContact CA-O 3.22Å; K122-S124 PolarHBondContact O-N 2.71Å; S124-F126 VanDerWaalsContact C-N 3.31Å; S124-F126 PolarHBondContact O-N 2.95Å; S124-L127 WeakPolarHBondContact O-CB 3.16Å; S124-L127 PolarHBondContact O-N 3.25Å
125	T	94.2	Very high	93.2	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-44.3	169.9	-65.9	0	0	0	0	111.3	I97 F102 K122 K123 L127	I97-T125 HydrophobicContact CB-CG2 3.89Å; I97-T125 HydrophobicContact CD1-CG2 4.16Å; I97-T125 HydrophobicContact CG2-CG2 3.82Å; F102-T125 WeakPolarHBondContact CD2-O 3.07Å; K122-T125 PolarHBondContact N-OG1 3.29Å; K122-T125 WeakPolarHBondContact O-CB 3.26Å; K122-T125 PolarHBondContact O-N 3.22Å; K122-T125 VanDerWaalsContact O-N 3.09Å; K122-T125 PolarHBondContact O-OG1 3.33Å; K123-T125 PolarHBondContact O-N 2.94Å; T125-L127 VanDerWaalsContact C-N 3.34Å; T125-L127 PolarHBondContact O-N 3.15Å
126	F	95.5	Very high	93.4	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.013	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	17.5	-177.2	-56.7	-67.3	0	0	0	113.9	F102 L111 I113 F121 S124 G128 L129 L135 V149 F150 L153	F102-F126 HydrophobicContact CD2-CD1 4.49Å; F102-F126 AromaticContact CE2-CD1 3.94Å; F102-F126 HydrophobicContact CE2-CD1 3.94Å; F102-F126 HydrophobicContact CE2-CE1 4.42Å; L111-F126 HydrophobicContact CD2-CD1 3.87Å; L111-F126 HydrophobicContact CD2-CE1 3.87Å; I113-F126 HydrophobicContact CD1-CE1 4.19Å; I113-F126 HydrophobicContact CD1-CZ 4.31Å; F121-F126 HydrophobicContact CD1-CZ 4.2Å; F121-F126 HydrophobicContact CD2-CE2 4.09Å; F121-F126 HydrophobicContact CD2-CZ 4.14Å; F121-F126 HydrophobicContact CE1-CZ 4.1Å; F121-F126 HydrophobicContact CE2-CE2 4.36Å; F121-F126 HydrophobicContact CE2-CZ 4.03Å; F121-F126 HydrophobicContact CG-CE2 4.22Å; F121-F126 HydrophobicContact CG-CZ 4.23Å; F121-F126 HydrophobicContact CZ-CZ 4.01Å; S124-F126 VanDerWaalsContact C-N 3.31Å; S124-F126 PolarHBondContact O-N 2.95Å; F126-G128 PolarHBondContact O-N 3.11Å; F126-L129 HydrophobicContact CB-CD1 4.11Å; F126-L129 HydrophobicContact CD1-CD1 4.05Å; F126-L129 PolarHBondContact O-N 2.81Å; F126-L135 HydrophobicContact CD2-CD2 4.47Å; F126-L135 HydrophobicContact CE1-CD1 4.07Å; F126-L135 HydrophobicContact CE1-CD2 4.14Å; F126-L135 HydrophobicContact CE2-CD2 3.94Å; F126-L135 HydrophobicContact CZ-CD1 4.33Å; F126-L135 HydrophobicContact CZ-CD2 3.76Å; F126-V149 HydrophobicContact CD2-CG2 3.75Å; F126-V149 HydrophobicContact CE2-CG2 3.63Å; F126-F150 HydrophobicContact CD2-CD1 4.08Å; F126-F150 HydrophobicContact CD2-CE1 4.17Å; F126-F150 HydrophobicContact CE2-CD1 4.06Å; F126-F150 AromaticContact CE2-CE1 3.67Å; F126-F150 HydrophobicContact CE2-CE1 3.67Å; F126-L153 HydrophobicContact CB-CD1 4.02Å; F126-L153 HydrophobicContact CB-CD2 3.94Å; F126-L153 HydrophobicContact CB-CG 4.36Å; F126-L153 HydrophobicContact CD2-CD1 4.19Å; F126-L153 HydrophobicContact CG-CD1 4.24Å
127	L	93.6	Very high	93.5	Very high	63 Å²	63	36.9 Å²	36.9	33%	0.33	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	122	-179.1	179.7	67.1	0	0	0	111.6	L103 S124 T125	L103-L127 HydrophobicContact CD2-CG 4.23Å; S124-L127 WeakPolarHBondContact O-CB 3.16Å; S124-L127 PolarHBondContact O-N 3.25Å; T125-L127 VanDerWaalsContact C-N 3.34Å; T125-L127 PolarHBondContact O-N 3.15Å
128	G	90.4	Very high	93.1	Very high	5 Å²	5	31.3 Å²	31.3	5%	0.052	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.1	-3.7	-177.7	0	0	0	0	0	114.8	L105 Q106 F126 D130	L105-G128 CarbonylContact C-O 3.29Å; L105-G128 VanDerWaalsContact C-O 3.29Å; Q106-G128 WeakPolarHBondContact CA-O 3.36Å; Q106-G128 PolarHBondContact N-O 3.19Å; F126-G128 PolarHBondContact O-N 3.11Å; G128-D130 PolarHBondContact O-N 3.47Å
129	L	95.3	Very high	92.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.166	C	C	.	.			trans	-98.4	57.4	176.7	-60.5	171.9	0	0	0	110.6	F102 L105 V108 L111 F126 D131 L132 L153	F102-L129 HydrophobicContact CB-CD1 4.08Å; F102-L129 HydrophobicContact CB-CD2 3.88Å; F102-L129 HydrophobicContact CB-CG 3.72Å; F102-L129 HydrophobicContact CD1-CD1 4.35Å; F102-L129 HydrophobicContact CD2-CD1 3.74Å; F102-L129 HydrophobicContact CD2-CG 4.3Å; F102-L129 HydrophobicContact CE2-CD1 4.18Å; F102-L129 HydrophobicContact CG-CD1 3.81Å; F102-L129 HydrophobicContact CG-CD2 4.25Å; F102-L129 HydrophobicContact CG-CG 4.03Å; L105-L129 HydrophobicContact CB-CD2 3.74Å; L105-L129 HydrophobicContact CD1-CD2 4.24Å; V108-L129 HydrophobicContact CB-CD2 3.8Å; V108-L129 HydrophobicContact CG1-CD2 3.97Å; V108-L129 HydrophobicContact CG2-CD2 4.47Å; L111-L129 HydrophobicContact CD2-CD1 3.62Å; F126-L129 HydrophobicContact CB-CD1 4.11Å; F126-L129 HydrophobicContact CD1-CD1 4.05Å; F126-L129 PolarHBondContact O-N 2.81Å; L129-D131 PolarHBondContact O-N 3.25Å; L129-L132 HydrophobicContact CB-CB 4.17Å; L129-L132 HydrophobicContact CD1-CD2 4.47Å; L129-L132 WeakPolarHBondContact O-CB 3.46Å; L129-L132 PolarHBondContact O-N 3.39Å; L129-L153 HydrophobicContact CB-CD2 4.08Å; L129-L153 VanDerWaalsContact O-CD2 3.3Å; L129-L153 WeakPolarHBondContact O-CD2 3.49Å
130	D	90.5	Very high	92.6	Very high	65 Å²	65	28 Å²	28	35%	0.348	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.1	-167.5	-52.3	-31.1	0	0	0	112.9	Q106 G128	Q106-D130 PolarHBondContact NE2-OD2 2.83Å; Q106-D130 VanDerWaalsContact NE2-OD2 3.13Å; G128-D130 PolarHBondContact O-N 3.47Å
131	D	93.4	Very high	92.6	Very high	45 Å²	45	29.7 Å²	29.7	24%	0.241	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	12.9	-179.4	-88	15.1	0	0	0	114.6	Q106 V108 K109 L129 E133 K155	Q106-D131 WeakPolarHBondContact O-CB 3.2Å; V108-D131 CarbonylContact O-C 3.54Å; K109-D131 WeakPolarHBondContact CA-O 3.48Å; L129-D131 PolarHBondContact O-N 3.25Å; D131-E133 PolarHBondContact O-N 2.96Å; D131-K155 WeakPolarHBondContact OD1-CE 3.49Å; D131-K155 IonicContact OD1-NZ 2.69Å; D131-K155 PolarHBondContact OD1-NZ 3.15Å; D131-K155 IonicContact OD2-NZ 3.05Å; D131-K155 PolarHBondContact OD2-NZ 3.28Å
132	L	95.6	Very high	92.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.			trans	-65.9	121.3	-174.8	-159.2	77.5	0	0	0	112.8	V108 K109 L111 L129 L135 L153 K155 L156	V108-L132 HydrophobicContact CG1-CD1 4.07Å; V108-L132 WeakPolarHBondContact O-CA 3.06Å; V108-L132 PolarHBondContact O-N 2.98Å; K109-L132 CarbonylContact O-C 3.46Å; L111-L132 HydrophobicContact CB-CD1 3.74Å; L111-L132 HydrophobicContact CB-CD2 4.44Å; L129-L132 HydrophobicContact CB-CB 4.17Å; L129-L132 HydrophobicContact CD1-CD2 4.47Å; L129-L132 WeakPolarHBondContact O-CB 3.46Å; L129-L132 PolarHBondContact O-N 3.39Å; L132-L135 HydrophobicContact CD2-CB 4.08Å; L132-L153 HydrophobicContact CB-CD2 4.17Å; L132-L153 HydrophobicContact CD2-CD1 4.05Å; L132-L153 HydrophobicContact CD2-CD2 4.29Å; L132-K155 CarbonylContact O-C 3.46Å; L132-L156 HydrophobicContact CD2-CD1 4.4Å; L132-L156 WeakPolarHBondContact O-CA 3.44Å; L132-L156 PolarHBondContact O-N 3.07Å
133	E	91.1	Very high	92.7	Very high	48 Å²	48	31.6 Å²	31.6	22%	0.224	15%	0.151	C	C	.	.			trans	-104.9	-29.3	179.5	-73.1	161.6	-171.9	0	0	112.3	K109 D131 K155 E157 V158	K109-E133 IonicContact NZ-OE1 2.32Å; K109-E133 PolarHBondContact NZ-OE1 2.9Å; K109-E133 IonicContact NZ-OE2 2.66Å; K109-E133 PolarHBondContact NZ-OE2 3.4Å; K109-E133 PolarHBondContact O-N 2.81Å; D131-E133 PolarHBondContact O-N 2.96Å; E133-K155 WeakPolarHBondContact CA-O 3.28Å; E133-K155 HydrophobicContact CG-CB 4.16Å; E133-E157 PolarHBondContact O-N 3.03Å; E133-V158 PolarHBondContact O-N 3.42Å
134	Y	89.6	Confident	92.8	Very high	2 Å²	2	31 Å²	31	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	125.9	-175.4	-176.6	-85.7	0	0	0	111.4	K109 R110 L111 H112 Q136 V158 I160	K109-Y134 PolarHBondContact O-N 3.1Å; K109-Y134 VanDerWaalsContact O-N 3.07Å; R110-Y134 WeakPolarHBondContact CA-O 3.4Å; R110-Y134 HydrophobicContact CB-CD1 4.47Å; L111-Y134 PolarHBondContact N-O 2.04Å; H112-Y134 AromaticContact CE1-CD1 3.94Å; H112-Y134 AromaticContact CE1-CE1 3.33Å; H112-Y134 WeakPolarHBondContact CE1-CE1 3.45Å; H112-Y134 AromaticContact ND1-CE1 3.75Å; H112-Y134 AromaticContact NE2-CE1 3.99Å; Y134-Q136 HydrophobicContact CD1-CB 4.27Å; Y134-Q136 HydrophobicContact CE1-CB 3.5Å; Y134-Q136 HydrophobicContact CE1-CG 4.35Å; Y134-Q136 PolarHBondContact OH-OE1 3.4Å; Y134-V158 HydrophobicContact CD2-CB 3.62Å; Y134-V158 HydrophobicContact CD2-CG1 3.57Å; Y134-V158 HydrophobicContact CD2-CG2 4.2Å; Y134-V158 HydrophobicContact CE2-CB 4.24Å; Y134-V158 HydrophobicContact CE2-CG1 3.64Å; Y134-V158 HydrophobicContact CG-CB 4.39Å; Y134-I160 HydrophobicContact CE2-CD1 3.83Å; Y134-I160 VanDerWaalsContact OH-CD1 3.26Å; Y134-I160 WeakPolarHBondContact OH-CD1 3.24Å
135	L	94.9	Very high	93.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	119.5	173.7	178.8	57.7	0	0	0	110.9	L111 I113 F126 L132 F150 L156 V158 L159 I160	L111-L135 HydrophobicContact CB-CD1 4.07Å; L111-L135 HydrophobicContact CD2-CD1 3.87Å; L111-L135 HydrophobicContact CG-CD1 3.96Å; I113-L135 HydrophobicContact CD1-CD1 4.32Å; I113-L135 HydrophobicContact CG1-CD1 4.39Å; F126-L135 HydrophobicContact CD2-CD2 4.47Å; F126-L135 HydrophobicContact CE1-CD1 4.07Å; F126-L135 HydrophobicContact CE1-CD2 4.14Å; F126-L135 HydrophobicContact CE2-CD2 3.94Å; F126-L135 HydrophobicContact CZ-CD1 4.33Å; F126-L135 HydrophobicContact CZ-CD2 3.76Å; L132-L135 HydrophobicContact CD2-CB 4.08Å; L135-F150 HydrophobicContact CD2-CD1 4.19Å; L135-F150 HydrophobicContact CD2-CE1 3.61Å; L135-L156 HydrophobicContact CB-CD1 3.7Å; L135-L156 HydrophobicContact CB-CD2 4.39Å; L135-V158 PolarHBondContact N-O 3.24Å; L135-L159 HydrophobicContact CB-CD1 4.1Å; L135-L159 HydrophobicContact CD2-CD1 3.93Å; L135-L159 HydrophobicContact CG-CD1 4.06Å; L135-I160 PolarHBondContact O-N 3.1Å
136	Q	90.7	Very high	93.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.9	179	-172.6	-156.9	-31.1	0	0	110.5	L111 H112 I113 S114 Y134 D138 I160 V557	L111-Q136 PolarHBondContact O-N 2.86Å; H112-Q136 PolarHBondContact ND1-OE1 3.33Å; I113-Q136 VanDerWaalsContact CG1-O 3.25Å; I113-Q136 WeakPolarHBondContact CG1-O 3.45Å; I113-Q136 PolarHBondContact N-O 3.4Å; S114-Q136 WeakPolarHBondContact OG-CG 3.01Å; S114-Q136 PolarHBondContact OG-NE2 3.41Å; S114-Q136 PolarHBondContact OG-O 3.03Å; Y134-Q136 HydrophobicContact CD1-CB 4.27Å; Y134-Q136 HydrophobicContact CE1-CB 3.5Å; Y134-Q136 HydrophobicContact CE1-CG 4.35Å; Y134-Q136 PolarHBondContact OH-OE1 3.4Å; Q136-D138 WeakPolarHBondContact CG-OD1 3.47Å; Q136-D138 PolarHBondContact NE2-OD1 2.97Å; Q136-I160 HydrophobicContact CB-CB 4.42Å; Q136-I160 HydrophobicContact CG-CB 4.11Å; Q136-I160 HydrophobicContact CG-CD1 4.26Å; Q136-I160 HydrophobicContact CG-CG2 4.08Å; Q136-V557 PolarHBondContact NE2-O 3.38Å
137	A	93.8	Very high	93.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.			trans	-142.6	29.7	-177	0	0	0	0	0	113.8	I113 F121 N140 I160 L161 N164	I113-A137 HydrophobicContact CD1-CB 3.78Å; I113-A137 HydrophobicContact CG1-CB 3.63Å; F121-A137 HydrophobicContact CE2-CB 4.37Å; F121-A137 HydrophobicContact CZ-CB 3.83Å; A137-N140 PolarHBondContact O-ND2 3.13Å; A137-I160 PolarHBondContact N-O 3.03Å; A137-L161 HydrophobicContact CB-CD2 4.07Å; A137-N164 PolarHBondContact O-ND2 2.79Å
138	D	88.1	Confident	93.1	Very high	6 Å²	6	34 Å²	34	3%	0.032	17%	0.174	C	C	.	.			trans	-62.9	164.9	173.8	60.9	-67.8	0	0	0	113.6	S114 N115 Q136 N140 I160 N162	S114-D138 VanDerWaalsContact CA-O 3.28Å; S114-D138 WeakPolarHBondContact CA-O 3.34Å; S114-D138 WeakPolarHBondContact CB-O 3.42Å; S114-D138 VanDerWaalsContact CB-OD1 3.25Å; S114-D138 WeakPolarHBondContact CB-OD1 3.33Å; S114-D138 PolarHBondContact OG-OD1 3.22Å; N115-D138 PolarHBondContact N-O 2.94Å; N115-D138 VanDerWaalsContact N-O 3.12Å; Q136-D138 WeakPolarHBondContact CG-OD1 3.47Å; Q136-D138 PolarHBondContact NE2-OD1 2.97Å; D138-N140 PolarHBondContact O-N 2.96Å; D138-N140 VanDerWaalsContact O-N 3.15Å; D138-N140 PolarHBondContact O-ND2 3.47Å; D138-N140 VanDerWaalsContact O-ND2 3.13Å; D138-I160 HydrophobicContact CB-CG2 4.26Å; D138-N162 VanDerWaalsContact CA-O 3.26Å; D138-N162 WeakPolarHBondContact CA-O 3.29Å; D138-N162 WeakPolarHBondContact CB-O 3.42Å; D138-N162 WeakPolarHBondContact CB-OD1 3.5Å
139	F	86.7	Confident	93.3	Very high	80 Å²	80	33.8 Å²	33.8	35%	0.351	17%	0.172	S	C	.	.	S	Bend	trans	47.5	41.9	-177	-64.8	-68.3	0	0	0	113.7	N115 N162 D163	N115-F139 WeakPolarHBondContact CA-O 3.41Å; N115-F139 HydrophobicContact CB-CB 4.49Å; F139-N162 PolarHBondContact N-O 3.09Å; F139-D163 HydrophobicContact CD1-CB 3.52Å; F139-D163 HydrophobicContact CE1-CB 3.43Å; F139-D163 VanDerWaalsContact CE1-CB 3.43Å; F139-D163 VanDerWaalsContact CE1-CG 3.49Å; F139-D163 HydrophobicContact CG-CB 4.17Å; F139-D163 HydrophobicContact CZ-CB 4.02Å
140	N	93.3	Very high	93.3	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.043	17%	0.172	C	C	.	.	S	Bend	trans	-105.7	-167.8	172.4	-91.6	-83.9	0	0	0	110.2	I113 N116 K117 M118 A137 D138 N164	I113-N140 PolarHBondContact O-ND2 3.03Å; N116-N140 WeakPolarHBondContact CA-OD1 3.35Å; N116-N140 WeakPolarHBondContact CB-OD1 3.01Å; K117-N140 PolarHBondContact N-OD1 3.4Å; M118-N140 HydrophobicContact CB-CB 4.45Å; M118-N140 WeakPolarHBondContact CB-OD1 3.46Å; M118-N140 PolarHBondContact N-OD1 3.36Å; M118-N140 VanDerWaalsContact N-OD1 3.12Å; A137-N140 PolarHBondContact O-ND2 3.13Å; D138-N140 PolarHBondContact O-N 2.96Å; D138-N140 VanDerWaalsContact O-N 3.15Å; D138-N140 PolarHBondContact O-ND2 3.47Å; D138-N140 VanDerWaalsContact O-ND2 3.13Å; N140-N164 VanDerWaalsContact CA-OD1 3.32Å; N140-N164 WeakPolarHBondContact CA-OD1 3.22Å; N140-N164 WeakPolarHBondContact CB-OD1 3.28Å; N140-N164 PolarHBondContact N-OD1 3.36Å; N140-N164 PolarHBondContact O-OD1 2.86Å
141	L	95.6	Very high	93.3	Very high	70 Å²	70	34.5 Å²	34.5	37%	0.366	17%	0.169	S	C	.	.			trans	-115.2	27.2	177.4	-59.3	174.7	0	0	0	110.9	K117 M118 R119 R143 L165	K117-L141 HydrophobicContact CB-CD1 4.5Å; M118-L141 CarbonylContact O-C 3.54Å; M118-L141 VanDerWaalsContact O-CA 3.23Å; M118-L141 WeakPolarHBondContact O-CA 3.23Å; M118-L141 WeakPolarHBondContact O-CB 3.48Å; M118-L141 PolarHBondContact O-N 2.93Å; R119-L141 WeakPolarHBondContact CA-O 3.28Å; R119-L141 HydrophobicContact CG-CB 4.34Å; L141-R143 PolarHBondContact O-N 3.11Å; L141-L165 HydrophobicContact CD2-CD1 4.35Å
142	L	96.7	Very high	93.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.168	C	C	.	.			trans	-66.6	124.8	-167.8	-173.3	63.8	0	0	0	110.6	M118 F121 I145 L161 N164 L165 I166	M118-L142 PolarHBondContact O-N 2.91Å; M118-L142 VanDerWaalsContact O-N 3.12Å; F121-L142 HydrophobicContact CB-CD1 4.48Å; F121-L142 HydrophobicContact CD1-CD1 4.03Å; F121-L142 HydrophobicContact CD2-CD1 3.98Å; F121-L142 HydrophobicContact CD2-CD2 3.76Å; F121-L142 HydrophobicContact CE1-CD1 4.27Å; F121-L142 HydrophobicContact CE2-CD1 4.23Å; F121-L142 HydrophobicContact CE2-CD2 3.47Å; F121-L142 VanDerWaalsContact CE2-CD2 3.47Å; F121-L142 HydrophobicContact CG-CD1 3.87Å; F121-L142 HydrophobicContact CG-CD2 4.48Å; F121-L142 HydrophobicContact CZ-CD1 4.36Å; F121-L142 HydrophobicContact CZ-CD2 3.97Å; L142-I145 HydrophobicContact CD1-CG1 4.33Å; L142-I145 HydrophobicContact CD2-CD1 3.91Å; L142-I145 HydrophobicContact CD2-CG1 4.09Å; L142-I145 HydrophobicContact CG-CD1 4.39Å; L142-I145 HydrophobicContact CG-CG1 4.15Å; L142-L161 HydrophobicContact CD2-CD2 4.07Å; L142-N164 HydrophobicContact CB-CB 4.14Å; L142-N164 WeakPolarHBondContact CB-OD1 3.39Å; L142-N164 PolarHBondContact N-OD1 3.36Å; L142-L165 CarbonylContact O-C 3.46Å; L142-L165 WeakPolarHBondContact O-CA 3.29Å; L142-L165 WeakPolarHBondContact O-CB 3.4Å; L142-L165 PolarHBondContact O-N 3.23Å; L142-I166 HydrophobicContact CB-CG1 4.49Å; L142-I166 HydrophobicContact CD2-CD1 4.14Å; L142-I166 HydrophobicContact CD2-CG1 4.31Å; L142-I166 HydrophobicContact CG-CG1 4.23Å; L142-I166 PolarHBondContact O-N 3.44Å
143	R	94.8	Very high	93	Very high	126 Å²	126	34.3 Å²	34.3	48%	0.475	17%	0.169	S	C	.	.			trans	-122.2	-51.9	179.4	-68	172.7	-171.6	176.4	-0.2	111.5	R119 L141 L165	R119-R143 PolarHBondContact O-N 2.9Å; L141-R143 PolarHBondContact O-N 3.11Å; R143-L165 HydrophobicContact CG-CB 3.59Å; R143-L165 HydrophobicContact CG-CD1 4.37Å
144	D	94.3	Very high	93	Very high	105 Å²	105	36.8 Å²	36.8	56%	0.561	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.5	-174	-39.1	-68	0	0	0	109.8	R119 S120 F121	R119-D144 PolarHBondContact O-N 3.38Å; S120-D144 CarbonylContact C-O 3.11Å; S120-D144 WeakPolarHBondContact CA-O 3.37Å; S120-D144 WeakPolarHBondContact CB-O 3.12Å; F121-D144 PolarHBondContact N-O 3.43Å
145	I	96.4	Very high	93.2	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.097	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.8	175.7	-59.6	-178.3	0	0	0	107.5	L142 V149 L161 I166 L169 P170 V173	L142-I145 HydrophobicContact CD1-CG1 4.33Å; L142-I145 HydrophobicContact CD2-CD1 3.91Å; L142-I145 HydrophobicContact CD2-CG1 4.09Å; L142-I145 HydrophobicContact CG-CD1 4.39Å; L142-I145 HydrophobicContact CG-CG1 4.15Å; I145-V149 HydrophobicContact CG2-CG1 3.67Å; I145-L161 HydrophobicContact CD1-CD1 4.49Å; I145-I166 HydrophobicContact CD1-CD1 3.8Å; I145-I166 HydrophobicContact CD1-CG1 4.07Å; I145-I166 HydrophobicContact CD1-CG2 4.29Å; I145-L169 HydrophobicContact CD1-CD2 4.1Å; I145-P170 HydrophobicContact CB-CG 4.1Å; I145-P170 HydrophobicContact CG2-CG 4Å; I145-P170 WeakPolarHBondContact O-CG 3.5Å; I145-V173 HydrophobicContact CG2-CG2 3.98Å
146	D	95.8	Very high	93.2	Very high	48 Å²	48	40.7 Å²	40.7	26%	0.257	20%	0.2	S	C	.	.			trans	-79.6	134.3	174.6	-170.7	-72	0	0	0	110.6	F121 K123 A148 V149	F121-D146 WeakPolarHBondContact O-CB 3.41Å; F121-D146 PolarHBondContact O-N 2.89Å; K123-D146 WeakPolarHBondContact CB-OD2 3.17Å; K123-D146 VanDerWaalsContact N-CB 3.29Å; K123-D146 PolarHBondContact N-OD2 2.87Å; K123-D146 VanDerWaalsContact N-OD2 3.12Å; D146-A148 PolarHBondContact O-N 2.86Å; D146-A148 PolarHBondContact OD1-N 3.45Å; D146-V149 HydrophobicContact CB-CB 4.31Å; D146-V149 VanDerWaalsContact O-CB 3.31Å; D146-V149 WeakPolarHBondContact O-CB 3.4Å; D146-V149 WeakPolarHBondContact O-CG1 3.18Å; D146-V149 PolarHBondContact O-N 2.9Å; D146-V149 VanDerWaalsContact O-N 3.08Å
147	P	94.2	Very high	93.3	Very high	65 Å²	65	45.3 Å²	45.3	42%	0.422	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-30.2	178.3	-24.6	29.8	0	0	0	114.6	P170	P147-P170 HydrophobicContact CB-CB 4.17Å; P147-P170 HydrophobicContact CG-CB 3.8Å
148	A	93.1	Very high	93.1	Very high	19 Å²	19	46 Å²	46	16%	0.157	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	24.9	-176	0	0	0	0	0	112.9	K123 D146	K123-A148 HydrophobicContact CG-CB 4.28Å; D146-A148 PolarHBondContact O-N 2.86Å; D146-A148 PolarHBondContact OD1-N 3.45Å
149	V	95.5	Very high	93.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	22%	0.224	C	C	.	.	S	Bend	trans	-71.1	-44.3	-178.7	67.9	0	0	0	0	113.2	F121 F126 I145 D146 V173	F121-V149 HydrophobicContact CB-CG2 3.59Å; F121-V149 HydrophobicContact CG-CG2 4.42Å; F126-V149 HydrophobicContact CD2-CG2 3.75Å; F126-V149 HydrophobicContact CE2-CG2 3.63Å; I145-V149 HydrophobicContact CG2-CG1 3.67Å; D146-V149 HydrophobicContact CB-CB 4.31Å; D146-V149 VanDerWaalsContact O-CB 3.31Å; D146-V149 WeakPolarHBondContact O-CB 3.4Å; D146-V149 WeakPolarHBondContact O-CG1 3.18Å; D146-V149 PolarHBondContact O-N 2.9Å; D146-V149 VanDerWaalsContact O-N 3.08Å; V149-V173 HydrophobicContact CG1-CG2 4.28Å
150	F	94.8	Very high	93.6	Very high	1 Å²	1	42 Å²	42	0%	0.004	21%	0.208	C	C	.	.	S	Bend	trans	-99.6	-5.6	-175.3	-52.3	-51.6	0	0	0	113.6	F121 F126 L135 D152 L153 L156 L159 V173 F174 V177	F121-F150 HydrophobicContact CD2-CZ 4.42Å; F126-F150 HydrophobicContact CD2-CD1 4.08Å; F126-F150 HydrophobicContact CD2-CE1 4.17Å; F126-F150 HydrophobicContact CE2-CD1 4.06Å; F126-F150 AromaticContact CE2-CE1 3.67Å; F126-F150 HydrophobicContact CE2-CE1 3.67Å; L135-F150 HydrophobicContact CD2-CD1 4.19Å; L135-F150 HydrophobicContact CD2-CE1 3.61Å; F150-D152 PolarHBondContact O-N 2.81Å; F150-L153 HydrophobicContact CB-CD1 4.24Å; F150-L153 HydrophobicContact CD1-CD1 3.87Å; F150-L153 VanDerWaalsContact O-CB 3.32Å; F150-L153 WeakPolarHBondContact O-CB 3.24Å; F150-L153 PolarHBondContact O-N 2.82Å; F150-L156 HydrophobicContact CD1-CD2 4.41Å; F150-L159 HydrophobicContact CD2-CD2 4.37Å; F150-L159 HydrophobicContact CE1-CD1 4.39Å; F150-L159 HydrophobicContact CE2-CD2 3.81Å; F150-L159 HydrophobicContact CZ-CD1 4.12Å; F150-L159 HydrophobicContact CZ-CD2 4.05Å; F150-V173 HydrophobicContact CD2-CG2 3.8Å; F150-V173 HydrophobicContact CE2-CG2 3.86Å; F150-F174 HydrophobicContact CD2-CE1 4.49Å; F150-V177 HydrophobicContact CB-CG2 3.97Å; F150-V177 WeakPolarHBondContact O-CG2 2.99Å
151	R	90.8	Very high	93.7	Very high	79 Å²	79	41.7 Å²	41.7	30%	0.298	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-32.6	-175.5	-174.9	-161.7	61.8	-123.4	-16	114.1	L153	R151-L153 VanDerWaalsContact C-N 3.34Å
152	D	88.9	Confident	93.5	Very high	41 Å²	41	39 Å²	39	22%	0.219	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.5	-175.5	-52	-30.6	0	0	0	112.2	F150 N154	F150-D152 PolarHBondContact O-N 2.81Å; D152-N154 PolarHBondContact O-N 2.8Å; D152-N154 PolarHBondContact O-ND2 2.88Å
153	L	94.1	Very high	93.2	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.209	C	C	.	.			trans	-98	62.9	-175.1	-52.1	178	0	0	0	112.1	F126 L129 L132 F150 R151 K155 L156	F126-L153 HydrophobicContact CB-CD1 4.02Å; F126-L153 HydrophobicContact CB-CD2 3.94Å; F126-L153 HydrophobicContact CB-CG 4.36Å; F126-L153 HydrophobicContact CD2-CD1 4.19Å; F126-L153 HydrophobicContact CG-CD1 4.24Å; L129-L153 HydrophobicContact CB-CD2 4.08Å; L129-L153 VanDerWaalsContact O-CD2 3.3Å; L129-L153 WeakPolarHBondContact O-CD2 3.49Å; L132-L153 HydrophobicContact CB-CD2 4.17Å; L132-L153 HydrophobicContact CD2-CD1 4.05Å; L132-L153 HydrophobicContact CD2-CD2 4.29Å; F150-L153 HydrophobicContact CB-CD1 4.24Å; F150-L153 HydrophobicContact CD1-CD1 3.87Å; F150-L153 VanDerWaalsContact O-CB 3.32Å; F150-L153 WeakPolarHBondContact O-CB 3.24Å; F150-L153 PolarHBondContact O-N 2.82Å; R151-L153 VanDerWaalsContact C-N 3.34Å; L153-K155 PolarHBondContact O-N 3.17Å; L153-L156 HydrophobicContact CB-CB 4.05Å; L153-L156 HydrophobicContact CD1-CD2 4.03Å; L153-L156 PolarHBondContact O-N 3.15Å; L153-L156 VanDerWaalsContact O-N 3.12Å
154	N	91.7	Very high	93.2	Very high	99 Å²	99	36.3 Å²	36.3	53%	0.529	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-5	-169.4	-53.2	-74.2	0	0	0	115.6	D152 P178	D152-N154 PolarHBondContact O-N 2.8Å; D152-N154 PolarHBondContact O-ND2 2.88Å; N154-P178 WeakPolarHBondContact O-CD 3.2Å
155	K	93.9	Very high	93.4	Very high	84 Å²	84	33.8 Å²	33.8	37%	0.365	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	0.6	178	-63.8	-172	-175.2	166.4	0	113.8	D131 L132 E133 L153 E157	D131-K155 WeakPolarHBondContact OD1-CE 3.49Å; D131-K155 IonicContact OD1-NZ 2.69Å; D131-K155 PolarHBondContact OD1-NZ 3.15Å; D131-K155 IonicContact OD2-NZ 3.05Å; D131-K155 PolarHBondContact OD2-NZ 3.28Å; L132-K155 CarbonylContact O-C 3.46Å; E133-K155 WeakPolarHBondContact CA-O 3.28Å; E133-K155 HydrophobicContact CG-CB 4.16Å; L153-K155 PolarHBondContact O-N 3.17Å; K155-E157 PolarHBondContact O-N 3.4Å; K155-E157 VanDerWaalsContact O-N 3.13Å
156	L	94.9	Very high	93.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.			trans	-70.5	112.8	-172.8	178	68.3	0	0	0	110.3	L132 L135 F150 L153 V158 V177 P178 I179	L132-L156 HydrophobicContact CD2-CD1 4.4Å; L132-L156 WeakPolarHBondContact O-CA 3.44Å; L132-L156 PolarHBondContact O-N 3.07Å; L135-L156 HydrophobicContact CB-CD1 3.7Å; L135-L156 HydrophobicContact CB-CD2 4.39Å; F150-L156 HydrophobicContact CD1-CD2 4.41Å; L153-L156 HydrophobicContact CB-CB 4.05Å; L153-L156 HydrophobicContact CD1-CD2 4.03Å; L153-L156 PolarHBondContact O-N 3.15Å; L153-L156 VanDerWaalsContact O-N 3.12Å; L156-V158 WeakPolarHBondContact CD1-O 3.3Å; L156-V177 HydrophobicContact CB-CG1 3.75Å; L156-V177 HydrophobicContact CD2-CG1 4.14Å; L156-V177 HydrophobicContact CG-CG1 4.23Å; L156-P178 CarbonylContact O-C 3.58Å; L156-P178 WeakPolarHBondContact O-CD 3.31Å; L156-I179 HydrophobicContact CD2-CD1 4.1Å; L156-I179 HydrophobicContact CG-CD1 3.98Å
157	E	91.1	Very high	93.3	Very high	98 Å²	98	34 Å²	34	46%	0.458	18%	0.18	S	C	.	.			trans	-101.7	-37.5	-178.9	-71.2	-178.9	-175	0	0	111.7	E133 K155 T180 H181	E133-E157 PolarHBondContact O-N 3.03Å; K155-E157 PolarHBondContact O-N 3.4Å; K155-E157 VanDerWaalsContact O-N 3.13Å; E157-T180 PolarHBondContact O-N 3.01Å; E157-T180 PolarHBondContact O-OG1 3.17Å; E157-H181 PolarHBondContact O-N 2.99Å; E157-H181 VanDerWaalsContact O-N 3.08Å
158	V	89.6	Confident	93.3	Very high	14 Å²	14	33.2 Å²	33.2	9%	0.085	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.1	-174.2	-177.3	0	0	0	0	110.4	E133 Y134 L135 L156 I160 H181	E133-V158 PolarHBondContact O-N 3.42Å; Y134-V158 HydrophobicContact CD2-CB 3.62Å; Y134-V158 HydrophobicContact CD2-CG1 3.57Å; Y134-V158 HydrophobicContact CD2-CG2 4.2Å; Y134-V158 HydrophobicContact CE2-CB 4.24Å; Y134-V158 HydrophobicContact CE2-CG1 3.64Å; Y134-V158 HydrophobicContact CG-CB 4.39Å; L135-V158 PolarHBondContact N-O 3.24Å; L156-V158 WeakPolarHBondContact CD1-O 3.3Å; V158-I160 HydrophobicContact CG1-CD1 3.97Å; V158-I160 HydrophobicContact CG1-CG1 4.06Å; V158-H181 HydrophobicContact CG1-CB 4.22Å; V158-H181 HydrophobicContact CG2-CB 4.2Å
159	L	95.1	Very high	93.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	113.8	178.7	178.3	60.7	0	0	0	110.9	L135 F150 L161 F174 I179 H181 L182 D183	L135-L159 HydrophobicContact CB-CD1 4.1Å; L135-L159 HydrophobicContact CD2-CD1 3.93Å; L135-L159 HydrophobicContact CG-CD1 4.06Å; F150-L159 HydrophobicContact CD2-CD2 4.37Å; F150-L159 HydrophobicContact CE1-CD1 4.39Å; F150-L159 HydrophobicContact CE2-CD2 3.81Å; F150-L159 HydrophobicContact CZ-CD1 4.12Å; F150-L159 HydrophobicContact CZ-CD2 4.05Å; L159-L161 HydrophobicContact CD1-CD1 4.11Å; L159-L161 HydrophobicContact CD1-CD2 4.05Å; L159-L161 HydrophobicContact CD1-CG 3.88Å; L159-L161 HydrophobicContact CD2-CD1 3.94Å; L159-L161 HydrophobicContact CD2-CG 4.49Å; L159-L161 HydrophobicContact CG-CD1 3.94Å; L159-L161 HydrophobicContact CG-CG 3.94Å; L159-F174 HydrophobicContact CD2-CE1 3.69Å; L159-F174 HydrophobicContact CD2-CZ 4.49Å; L159-I179 HydrophobicContact CB-CD1 3.95Å; L159-I179 HydrophobicContact CD2-CD1 4.32Å; L159-H181 PolarHBondContact N-O 3.2Å; L159-L182 HydrophobicContact CB-CD1 4.25Å; L159-L182 HydrophobicContact CD2-CD1 4.08Å; L159-L182 HydrophobicContact CG-CD1 4.18Å; L159-L182 WeakPolarHBondContact O-CA 3.22Å; L159-D183 PolarHBondContact O-N 3.07Å; L159-D183 VanDerWaalsContact O-N 3.13Å
160	I	91.3	Very high	93.4	Very high	3 Å²	3	34 Å²	34	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.1	-176.1	-63.3	162.2	0	0	0	108.8	Y134 L135 Q136 A137 D138 V158 N162 D183	Y134-I160 HydrophobicContact CE2-CD1 3.83Å; Y134-I160 VanDerWaalsContact OH-CD1 3.26Å; Y134-I160 WeakPolarHBondContact OH-CD1 3.24Å; L135-I160 PolarHBondContact O-N 3.1Å; Q136-I160 HydrophobicContact CB-CB 4.42Å; Q136-I160 HydrophobicContact CG-CB 4.11Å; Q136-I160 HydrophobicContact CG-CD1 4.26Å; Q136-I160 HydrophobicContact CG-CG2 4.08Å; A137-I160 PolarHBondContact N-O 3.03Å; D138-I160 HydrophobicContact CB-CG2 4.26Å; V158-I160 HydrophobicContact CG1-CD1 3.97Å; V158-I160 HydrophobicContact CG1-CG1 4.06Å; I160-N162 WeakPolarHBondContact CG2-OD1 3.35Å; I160-D183 HydrophobicContact CG2-CB 4.43Å
161	L	95.4	Very high	93.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.207	C	C	.	.			trans	-129.3	15.7	-174.7	-65.5	177.6	0	0	0	112.7	F121 A137 L142 I145 L159 N164 I166 D183 L184 N187	F121-L161 HydrophobicContact CE2-CD2 4.26Å; A137-L161 HydrophobicContact CB-CD2 4.07Å; L142-L161 HydrophobicContact CD2-CD2 4.07Å; I145-L161 HydrophobicContact CD1-CD1 4.49Å; L159-L161 HydrophobicContact CD1-CD1 4.11Å; L159-L161 HydrophobicContact CD1-CD2 4.05Å; L159-L161 HydrophobicContact CD1-CG 3.88Å; L159-L161 HydrophobicContact CD2-CD1 3.94Å; L159-L161 HydrophobicContact CD2-CG 4.49Å; L159-L161 HydrophobicContact CG-CD1 3.94Å; L159-L161 HydrophobicContact CG-CG 3.94Å; L161-N164 PolarHBondContact O-ND2 2.98Å; L161-N164 VanDerWaalsContact O-ND2 3.15Å; L161-I166 HydrophobicContact CB-CD1 4.07Å; L161-I166 HydrophobicContact CD1-CD1 4.13Å; L161-D183 CarbonylContact C-O 3.16Å; L161-D183 WeakPolarHBondContact CA-O 3.32Å; L161-D183 PolarHBondContact N-O 3Å; L161-L184 HydrophobicContact CB-CD2 4.15Å; L161-L184 HydrophobicContact CD1-CD2 4.18Å; L161-N187 PolarHBondContact O-ND2 3.02Å
162	N	90.4	Very high	93.3	Very high	12 Å²	12	38 Å²	38	6%	0.064	21%	0.209	C	C	.	.			trans	-61.4	161.2	-179.3	63.2	-79.8	0	0	0	113	D138 F139 I160 N164 D183 R185	D138-N162 VanDerWaalsContact CA-O 3.26Å; D138-N162 WeakPolarHBondContact CA-O 3.29Å; D138-N162 WeakPolarHBondContact CB-O 3.42Å; D138-N162 WeakPolarHBondContact CB-OD1 3.5Å; F139-N162 PolarHBondContact N-O 3.09Å; I160-N162 WeakPolarHBondContact CG2-OD1 3.35Å; N162-N164 VanDerWaalsContact C-N 3.29Å; N162-N164 PolarHBondContact O-N 3.34Å; N162-N164 PolarHBondContact O-ND2 2.77Å; N162-D183 PolarHBondContact N-O 2.95Å; N162-R185 CarbonylContact C-O 3.59Å; N162-R185 WeakPolarHBondContact CA-O 3.5Å; N162-R185 HydrophobicContact CB-CB 4.23Å; N162-R185 WeakPolarHBondContact CB-O 3.25Å
163	D	90.4	Very high	93.6	Very high	68 Å²	68	36.1 Å²	36.1	36%	0.364	20%	0.199	S	C	.	.	S	Bend	trans	53.3	45.7	176.2	-63.4	-78	0	0	0	113.3	F139 R185	F139-D163 HydrophobicContact CD1-CB 3.52Å; F139-D163 HydrophobicContact CE1-CB 3.43Å; F139-D163 VanDerWaalsContact CE1-CB 3.43Å; F139-D163 VanDerWaalsContact CE1-CG 3.49Å; F139-D163 HydrophobicContact CG-CB 4.17Å; F139-D163 HydrophobicContact CZ-CB 4.02Å; D163-R185 PolarHBondContact N-O 3.29Å
164	N	96.3	Very high	93.7	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.199	C	C	.	.	S	Bend	trans	-118.4	-165.3	175.4	-88.3	-77.1	0	0	0	110.4	A137 N140 L142 L161 N162 I166 N187	A137-N164 PolarHBondContact O-ND2 2.79Å; N140-N164 VanDerWaalsContact CA-OD1 3.32Å; N140-N164 WeakPolarHBondContact CA-OD1 3.22Å; N140-N164 WeakPolarHBondContact CB-OD1 3.28Å; N140-N164 PolarHBondContact N-OD1 3.36Å; N140-N164 PolarHBondContact O-OD1 2.86Å; L142-N164 HydrophobicContact CB-CB 4.14Å; L142-N164 WeakPolarHBondContact CB-OD1 3.39Å; L142-N164 PolarHBondContact N-OD1 3.36Å; L161-N164 PolarHBondContact O-ND2 2.98Å; L161-N164 VanDerWaalsContact O-ND2 3.15Å; N162-N164 VanDerWaalsContact C-N 3.29Å; N162-N164 PolarHBondContact O-N 3.34Å; N162-N164 PolarHBondContact O-ND2 2.77Å; N164-I166 HydrophobicContact CB-CD1 4.39Å; N164-I166 HydrophobicContact CB-CG1 4.28Å; N164-N187 WeakPolarHBondContact CA-OD1 3.31Å; N164-N187 WeakPolarHBondContact CB-OD1 3.35Å
165	L	96.9	Very high	93.6	Very high	51 Å²	51	35.4 Å²	35.4	27%	0.267	19%	0.192	S	C	.	.			trans	-123.9	25.9	-176	-60.7	176.1	0	0	0	112	L141 L142 R143 S167 N187	L141-L165 HydrophobicContact CD2-CD1 4.35Å; L142-L165 CarbonylContact O-C 3.46Å; L142-L165 WeakPolarHBondContact O-CA 3.29Å; L142-L165 WeakPolarHBondContact O-CB 3.4Å; L142-L165 PolarHBondContact O-N 3.23Å; R143-L165 HydrophobicContact CG-CB 3.59Å; R143-L165 HydrophobicContact CG-CD1 4.37Å; L165-S167 PolarHBondContact O-N 2.75Å; L165-N187 PolarHBondContact N-OD1 3.21Å
166	I	97.4	Very high	93.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.			trans	-67.8	119.7	-176	-57	164.5	0	0	0	108.7	L142 I145 L161 N164 A168 L169 N187 R188 I189	L142-I166 HydrophobicContact CB-CG1 4.49Å; L142-I166 HydrophobicContact CD2-CD1 4.14Å; L142-I166 HydrophobicContact CD2-CG1 4.31Å; L142-I166 HydrophobicContact CG-CG1 4.23Å; L142-I166 PolarHBondContact O-N 3.44Å; I145-I166 HydrophobicContact CD1-CD1 3.8Å; I145-I166 HydrophobicContact CD1-CG1 4.07Å; I145-I166 HydrophobicContact CD1-CG2 4.29Å; L161-I166 HydrophobicContact CB-CD1 4.07Å; L161-I166 HydrophobicContact CD1-CD1 4.13Å; N164-I166 HydrophobicContact CB-CD1 4.39Å; N164-I166 HydrophobicContact CB-CG1 4.28Å; I166-A168 WeakPolarHBondContact CG2-O 3.35Å; I166-L169 HydrophobicContact CG2-CD2 4.12Å; I166-N187 HydrophobicContact CB-CB 4.4Å; I166-N187 WeakPolarHBondContact CB-OD1 3.28Å; I166-N187 WeakPolarHBondContact CD1-OD1 3.36Å; I166-N187 VanDerWaalsContact CG1-OD1 3.3Å; I166-N187 WeakPolarHBondContact CG1-OD1 3.42Å; I166-N187 PolarHBondContact N-OD1 3.1Å; I166-N187 VanDerWaalsContact N-OD1 3.07Å; I166-R188 CarbonylContact O-C 3.38Å; I166-R188 VanDerWaalsContact O-CA 3.24Å; I166-R188 WeakPolarHBondContact O-CA 3.33Å; I166-R188 PolarHBondContact O-N 3.38Å; I166-I189 HydrophobicContact CG2-CG1 4.34Å; I166-I189 WeakPolarHBondContact O-CG1 3.08Å; I166-I189 PolarHBondContact O-N 3.29Å; I166-I189 VanDerWaalsContact O-N 3.12Å
167	S	93.8	Very high	93.2	Very high	71 Å²	71	37.6 Å²	37.6	50%	0.497	20%	0.204	S	C	.	.			trans	-91.6	-24.7	-179.5	56.8	0	0	0	0	114.6	L165 R188 I189	L165-S167 PolarHBondContact O-N 2.75Å; S167-R188 WeakPolarHBondContact CA-O 3.22Å; S167-I189 WeakPolarHBondContact O-CA 3.47Å
168	A	93.8	Very high	93.2	Very high	50 Å²	50	35.9 Å²	35.9	41%	0.413	20%	0.201	S	C	.	.			trans	-160.7	149	174.9	0	0	0	0	0	108.5	I166	I166-A168 WeakPolarHBondContact CG2-O 3.35Å
169	L	95.5	Very high	93.4	Very high	14 Å²	14	35.4 Å²	35.4	7%	0.073	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-85.7	141.2	168.7	-69.6	176.2	0	0	0	109.7	I145 I166 V173 F174 L184 I197	I145-L169 HydrophobicContact CD1-CD2 4.1Å; I166-L169 HydrophobicContact CG2-CD2 4.12Å; L169-V173 HydrophobicContact CB-CG1 4.42Å; L169-F174 HydrophobicContact CD1-CE2 4.07Å; L169-F174 HydrophobicContact CD1-CZ 4Å; L169-L184 HydrophobicContact CD1-CD1 3.92Å; L169-L184 HydrophobicContact CD1-CD2 4.42Å; L169-L184 HydrophobicContact CD2-CD2 4.49Å; L169-I197 HydrophobicContact CB-CD1 3.84Å; L169-I197 HydrophobicContact CD1-CG2 4.44Å; L169-I197 WeakPolarHBondContact O-CD1 3.36Å
170	P	94.8	Very high	93.1	Very high	23 Å²	23	37.1 Å²	37.1	15%	0.149	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-72.7	148.5	177.3	23.8	-25.5	0	0	0	111.7	I145 P147 N172 V173	I145-P170 HydrophobicContact CB-CG 4.1Å; I145-P170 HydrophobicContact CG2-CG 4Å; I145-P170 WeakPolarHBondContact O-CG 3.5Å; P147-P170 HydrophobicContact CB-CB 4.17Å; P147-P170 HydrophobicContact CG-CB 3.8Å; P170-N172 PolarHBondContact O-N 3.31Å; P170-V173 HydrophobicContact CG-CB 3.85Å; P170-V173 HydrophobicContact CG-CG2 3.82Å; P170-V173 VanDerWaalsContact O-CB 3.29Å; P170-V173 WeakPolarHBondContact O-CB 3.48Å; P170-V173 WeakPolarHBondContact O-CG1 3.12Å; P170-V173 PolarHBondContact O-N 3.32Å
171	I	92.8	Very high	93	Very high	101 Å²	101	38.6 Å²	38.6	52%	0.518	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	135.1	173.9	-49.9	177.9	0	0	0	108.9
172	N	92.1	Very high	92.9	Very high	64 Å²	64	38.7 Å²	38.7	34%	0.342	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	17.9	-176.1	-55.8	-62.2	0	0	0	116.2	P170 F174 Q175 G196 Q200	P170-N172 PolarHBondContact O-N 3.31Å; N172-F174 VanDerWaalsContact C-N 3.25Å; N172-F174 PolarHBondContact O-N 2.86Å; N172-Q175 HydrophobicContact CB-CB 4.14Å; N172-Q175 VanDerWaalsContact O-CB 3.27Å; N172-Q175 WeakPolarHBondContact O-CB 3.49Å; N172-Q175 PolarHBondContact O-N 2.97Å; N172-G196 WeakPolarHBondContact CA-O 3.39Å; N172-G196 PolarHBondContact N-O 2.89Å; N172-Q200 PolarHBondContact OD1-NE2 3.41Å
173	V	95.1	Very high	92.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.2	-179.3	71.3	0	0	0	0	114.3	I145 V149 F150 L169 P170	I145-V173 HydrophobicContact CG2-CG2 3.98Å; V149-V173 HydrophobicContact CG1-CG2 4.28Å; F150-V173 HydrophobicContact CD2-CG2 3.8Å; F150-V173 HydrophobicContact CE2-CG2 3.86Å; L169-V173 HydrophobicContact CB-CG1 4.42Å; P170-V173 HydrophobicContact CG-CB 3.85Å; P170-V173 HydrophobicContact CG-CG2 3.82Å; P170-V173 VanDerWaalsContact O-CB 3.29Å; P170-V173 WeakPolarHBondContact O-CB 3.48Å; P170-V173 WeakPolarHBondContact O-CG1 3.12Å; P170-V173 PolarHBondContact O-N 3.32Å
174	F	94.5	Very high	93.1	Very high	3 Å²	3	35 Å²	35	1%	0.013	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	14.2	179.7	-55.3	-50.3	0	0	0	112.7	F150 L159 L169 N172 H176 V177 I179 L182 I197 Q200 I201	F150-F174 HydrophobicContact CD2-CE1 4.49Å; L159-F174 HydrophobicContact CD2-CE1 3.69Å; L159-F174 HydrophobicContact CD2-CZ 4.49Å; L169-F174 HydrophobicContact CD1-CE2 4.07Å; L169-F174 HydrophobicContact CD1-CZ 4Å; N172-F174 VanDerWaalsContact C-N 3.25Å; N172-F174 PolarHBondContact O-N 2.86Å; F174-H176 PolarHBondContact O-N 3.31Å; F174-H176 VanDerWaalsContact O-N 3.15Å; F174-V177 PolarHBondContact O-N 3.16Å; F174-I179 HydrophobicContact CD1-CG1 3.93Å; F174-I179 HydrophobicContact CE1-CG1 4.42Å; F174-I179 HydrophobicContact CG-CG1 4.43Å; F174-L182 HydrophobicContact CE2-CD2 4.18Å; F174-L182 HydrophobicContact CZ-CD1 4.32Å; F174-L182 HydrophobicContact CZ-CD2 3.97Å; F174-I197 HydrophobicContact CD2-CG2 3.96Å; F174-I197 HydrophobicContact CE2-CG2 3.79Å; F174-Q200 HydrophobicContact CB-CB 4.06Å; F174-I201 HydrophobicContact CB-CG2 4.15Å; F174-I201 HydrophobicContact CD2-CG2 3.8Å; F174-I201 HydrophobicContact CE2-CG2 4.48Å; F174-I201 HydrophobicContact CG-CG2 4.07Å
175	Q	91.4	Very high	92.9	Very high	81 Å²	81	36.2 Å²	36.2	38%	0.379	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	117.8	-174.9	-160.9	-165.5	19	0	0	110.9	N172	N172-Q175 HydrophobicContact CB-CB 4.14Å; N172-Q175 VanDerWaalsContact O-CB 3.27Å; N172-Q175 WeakPolarHBondContact O-CB 3.49Å; N172-Q175 PolarHBondContact O-N 2.97Å
176	H	87.8	Confident	92.7	Very high	124 Å²	124	34.7 Å²	34.7	57%	0.574	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	18.5	-172.5	-40.8	93.5	0	0	0	115.6	F174	F174-H176 PolarHBondContact O-N 3.31Å; F174-H176 VanDerWaalsContact O-N 3.15Å
177	V	92.2	Very high	92.7	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.042	20%	0.197	C	C	.	.			trans	-113.5	120.8	-178.2	-167.4	0	0	0	0	111	F150 L156 F174 I179	F150-V177 HydrophobicContact CB-CG2 3.97Å; F150-V177 WeakPolarHBondContact O-CG2 2.99Å; L156-V177 HydrophobicContact CB-CG1 3.75Å; L156-V177 HydrophobicContact CD2-CG1 4.14Å; L156-V177 HydrophobicContact CG-CG1 4.23Å; F174-V177 PolarHBondContact O-N 3.16Å; V177-I179 VanDerWaalsContact C-N 3.26Å; V177-I179 HydrophobicContact CB-CG1 4.35Å; V177-I179 HydrophobicContact CG1-CD1 3.6Å; V177-I179 HydrophobicContact CG1-CG1 3.85Å; V177-I179 PolarHBondContact O-N 3.17Å
178	P	91.6	Very high	92.8	Very high	61 Å²	61	38 Å²	38	40%	0.396	20%	0.199	S	C	.	.			trans	-83.9	55.9	-173.8	36.5	-37.8	0	0	0	113.1	N154 L156 T180	N154-P178 WeakPolarHBondContact O-CD 3.2Å; L156-P178 CarbonylContact O-C 3.58Å; L156-P178 WeakPolarHBondContact O-CD 3.31Å; P178-T180 PolarHBondContact O-N 3.42Å
179	I	93.1	Very high	92.9	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	18%	0.179	C	C	.	.			trans	-61.8	125.5	-177.5	-56	-66.9	0	0	0	111.1	L156 L159 F174 V177 L182 I201 I204	L156-I179 HydrophobicContact CD2-CD1 4.1Å; L156-I179 HydrophobicContact CG-CD1 3.98Å; L159-I179 HydrophobicContact CB-CD1 3.95Å; L159-I179 HydrophobicContact CD2-CD1 4.32Å; F174-I179 HydrophobicContact CD1-CG1 3.93Å; F174-I179 HydrophobicContact CE1-CG1 4.42Å; F174-I179 HydrophobicContact CG-CG1 4.43Å; V177-I179 VanDerWaalsContact C-N 3.26Å; V177-I179 HydrophobicContact CB-CG1 4.35Å; V177-I179 HydrophobicContact CG1-CD1 3.6Å; V177-I179 HydrophobicContact CG1-CG1 3.85Å; V177-I179 PolarHBondContact O-N 3.17Å; I179-L182 HydrophobicContact CG2-CB 4.05Å; I179-I201 HydrophobicContact CB-CG2 4.16Å; I179-I204 HydrophobicContact CG2-CD1 3.83Å
180	T	89.1	Confident	92.8	Very high	36 Å²	36	40.4 Å²	40.4	22%	0.221	20%	0.199	C	C	.	.			trans	-112.4	-29.5	174.5	61.5	0	0	0	0	112.6	E157 P178 I204 A205 E206	E157-T180 PolarHBondContact O-N 3.01Å; E157-T180 PolarHBondContact O-OG1 3.17Å; P178-T180 PolarHBondContact O-N 3.42Å; T180-I204 WeakPolarHBondContact O-CD1 3.15Å; T180-A205 PolarHBondContact O-N 3.11Å; T180-E206 PolarHBondContact O-N 3.18Å; T180-E206 VanDerWaalsContact O-N 3.13Å
181	H	88	Confident	92.7	Very high	34 Å²	34	40.6 Å²	40.6	16%	0.157	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.7	178.8	-59.8	73.7	0	0	0	110.5	E157 V158 L159 E206	E157-H181 PolarHBondContact O-N 2.99Å; E157-H181 VanDerWaalsContact O-N 3.08Å; V158-H181 HydrophobicContact CG1-CB 4.22Å; V158-H181 HydrophobicContact CG2-CB 4.2Å; L159-H181 PolarHBondContact N-O 3.2Å; H181-E206 WeakPolarHBondContact CA-O 3.27Å; H181-E206 HydrophobicContact CB-CB 4.47Å
182	L	93.1	Very high	92.7	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	108	-175.2	-179.8	56.9	0	0	0	111.6	L159 F174 I179 L184 I201 I204 E206 V207 L208	L159-L182 HydrophobicContact CB-CD1 4.25Å; L159-L182 HydrophobicContact CD2-CD1 4.08Å; L159-L182 HydrophobicContact CG-CD1 4.18Å; L159-L182 WeakPolarHBondContact O-CA 3.22Å; F174-L182 HydrophobicContact CE2-CD2 4.18Å; F174-L182 HydrophobicContact CZ-CD1 4.32Å; F174-L182 HydrophobicContact CZ-CD2 3.97Å; I179-L182 HydrophobicContact CG2-CB 4.05Å; L182-L184 HydrophobicContact CD1-CD1 4.25Å; L182-L184 HydrophobicContact CD1-CD2 4.17Å; L182-L184 HydrophobicContact CD1-CG 3.94Å; L182-L184 HydrophobicContact CD2-CD1 3.89Å; L182-L184 HydrophobicContact CD2-CG 4.44Å; L182-L184 HydrophobicContact CG-CD1 3.92Å; L182-L184 HydrophobicContact CG-CG 3.93Å; L182-I201 HydrophobicContact CD2-CD1 4.44Å; L182-I204 HydrophobicContact CB-CD1 4.3Å; L182-E206 PolarHBondContact N-O 3.16Å; L182-V207 HydrophobicContact CB-CG1 4.34Å; L182-V207 HydrophobicContact CD2-CG1 4.4Å; L182-V207 HydrophobicContact CG-CG1 4.4Å; L182-V207 WeakPolarHBondContact O-CA 3.36Å; L182-L208 PolarHBondContact O-N 3.01Å
183	D	91.3	Very high	92.7	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	111	174.9	-161.7	-15.4	0	0	0	110.2	L159 I160 L161 N162 R185 K502	L159-D183 PolarHBondContact O-N 3.07Å; L159-D183 VanDerWaalsContact O-N 3.13Å; I160-D183 HydrophobicContact CG2-CB 4.43Å; L161-D183 CarbonylContact C-O 3.16Å; L161-D183 WeakPolarHBondContact CA-O 3.32Å; L161-D183 PolarHBondContact N-O 3Å; N162-D183 PolarHBondContact N-O 2.95Å; D183-R185 WeakPolarHBondContact OD1-CB 3.44Å; D183-R185 WeakPolarHBondContact OD1-CG 3.36Å; D183-R185 IonicContact OD1-CZ 3.7Å; D183-R185 PolarHBondContact OD1-N 2.79Å; D183-R185 IonicContact OD1-NE 3.44Å; D183-R185 PolarHBondContact OD1-NE 2.82Å; D183-R185 IonicContact OD1-NH2 3.43Å; D183-R185 IonicContact OD2-CZ 3.84Å; D183-R185 IonicContact OD2-NE 3.88Å; D183-R185 PolarHBondContact OD2-NE 3.27Å; D183-R185 IonicContact OD2-NH2 3.54Å; D183-R185 PolarHBondContact OD2-NH2 2.99Å; D183-K502 IonicContact OD2-NZ 3.5Å; D183-K502 PolarHBondContact OD2-NZ 2.86Å
184	L	95.2	Very high	92.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.			trans	-115.5	10.8	179.7	-69.7	169.2	0	0	0	112.3	L161 L169 L182 N187 I189 L192 L208 L209 N212	L161-L184 HydrophobicContact CB-CD2 4.15Å; L161-L184 HydrophobicContact CD1-CD2 4.18Å; L169-L184 HydrophobicContact CD1-CD1 3.92Å; L169-L184 HydrophobicContact CD1-CD2 4.42Å; L169-L184 HydrophobicContact CD2-CD2 4.49Å; L182-L184 HydrophobicContact CD1-CD1 4.25Å; L182-L184 HydrophobicContact CD1-CD2 4.17Å; L182-L184 HydrophobicContact CD1-CG 3.94Å; L182-L184 HydrophobicContact CD2-CD1 3.89Å; L182-L184 HydrophobicContact CD2-CG 4.44Å; L182-L184 HydrophobicContact CG-CD1 3.92Å; L182-L184 HydrophobicContact CG-CG 3.93Å; L184-N187 WeakPolarHBondContact O-CB 3.5Å; L184-N187 PolarHBondContact O-ND2 2.89Å; L184-I189 HydrophobicContact CB-CD1 4.14Å; L184-I189 HydrophobicContact CD1-CD1 4.06Å; L184-I189 HydrophobicContact CD2-CD1 4.13Å; L184-I189 HydrophobicContact CG-CD1 4.35Å; L184-L192 HydrophobicContact CD1-CD1 4.49Å; L184-L208 PolarHBondContact N-O 2.79Å; L184-L209 HydrophobicContact CB-CD2 4.38Å; L184-L209 HydrophobicContact CD1-CD2 3.99Å; L184-N212 PolarHBondContact O-ND2 3.45Å
185	R	92	Very high	92.4	Very high	28 Å²	28	48 Å²	48	11%	0.106	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	153.6	-174.2	-67	179.9	-68.2	146.1	11.7	113.6	N162 D163 D183 N187 L208 E210	N162-R185 CarbonylContact C-O 3.59Å; N162-R185 WeakPolarHBondContact CA-O 3.5Å; N162-R185 HydrophobicContact CB-CB 4.23Å; N162-R185 WeakPolarHBondContact CB-O 3.25Å; D163-R185 PolarHBondContact N-O 3.29Å; D183-R185 WeakPolarHBondContact OD1-CB 3.44Å; D183-R185 WeakPolarHBondContact OD1-CG 3.36Å; D183-R185 IonicContact OD1-CZ 3.7Å; D183-R185 PolarHBondContact OD1-N 2.79Å; D183-R185 IonicContact OD1-NE 3.44Å; D183-R185 PolarHBondContact OD1-NE 2.82Å; D183-R185 IonicContact OD1-NH2 3.43Å; D183-R185 IonicContact OD2-CZ 3.84Å; D183-R185 IonicContact OD2-NE 3.88Å; D183-R185 PolarHBondContact OD2-NE 3.27Å; D183-R185 IonicContact OD2-NH2 3.54Å; D183-R185 PolarHBondContact OD2-NH2 2.99Å; R185-N187 PolarHBondContact O-N 3.14Å; R185-N187 PolarHBondContact O-ND2 2.8Å; R185-L208 HydrophobicContact CG-CB 3.63Å; R185-L208 PolarHBondContact N-O 3.25Å; R185-E210 VanDerWaalsContact CA-O 3.28Å; R185-E210 WeakPolarHBondContact CA-O 3.37Å; R185-E210 WeakPolarHBondContact CD-OE2 3.43Å; R185-E210 HydrophobicContact CG-CB 3.93Å
186	G	91.9	Very high	92.3	Very high	19 Å²	19	44.2 Å²	44.2	20%	0.196	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	20.1	174.3	0	0	0	0	0	114.6	E210 D211	G186-E210 PolarHBondContact N-O 3.04Å; G186-D211 VanDerWaalsContact CA-O 3.29Å; G186-D211 WeakPolarHBondContact CA-O 3.42Å; G186-D211 PolarHBondContact N-O 3.34Å
187	N	97.2	Very high	92.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-92.3	-160.8	177.3	-87.1	-79.6	0	0	0	111.3	L161 N164 L165 I166 L184 R185 I189 N212	L161-N187 PolarHBondContact O-ND2 3.02Å; N164-N187 WeakPolarHBondContact CA-OD1 3.31Å; N164-N187 WeakPolarHBondContact CB-OD1 3.35Å; L165-N187 PolarHBondContact N-OD1 3.21Å; I166-N187 HydrophobicContact CB-CB 4.4Å; I166-N187 WeakPolarHBondContact CB-OD1 3.28Å; I166-N187 WeakPolarHBondContact CD1-OD1 3.36Å; I166-N187 VanDerWaalsContact CG1-OD1 3.3Å; I166-N187 WeakPolarHBondContact CG1-OD1 3.42Å; I166-N187 PolarHBondContact N-OD1 3.1Å; I166-N187 VanDerWaalsContact N-OD1 3.07Å; L184-N187 WeakPolarHBondContact O-CB 3.5Å; L184-N187 PolarHBondContact O-ND2 2.89Å; R185-N187 PolarHBondContact O-N 3.14Å; R185-N187 PolarHBondContact O-ND2 2.8Å; N187-I189 HydrophobicContact CB-CD1 4.41Å; N187-I189 HydrophobicContact CB-CG1 4.15Å; N187-N212 WeakPolarHBondContact CA-OD1 3.41Å; N187-N212 WeakPolarHBondContact CB-OD1 3.44Å
188	R	96.4	Very high	92.4	Very high	142 Å²	142	38.2 Å²	38.2	54%	0.536	19%	0.185	S	C	.	.			trans	-122.9	23.5	179.9	-60.3	-63.6	171.6	-173.7	-5.7	112.3	I166 S167 K190 N212 P213	I166-R188 CarbonylContact O-C 3.38Å; I166-R188 VanDerWaalsContact O-CA 3.24Å; I166-R188 WeakPolarHBondContact O-CA 3.33Å; I166-R188 PolarHBondContact O-N 3.38Å; S167-R188 WeakPolarHBondContact CA-O 3.22Å; R188-K190 PolarHBondContact O-N 2.81Å; R188-N212 PolarHBondContact N-OD1 3.27Å; R188-P213 HydrophobicContact CB-CG 4.44Å; R188-P213 WeakPolarHBondContact O-CG 3.47Å
189	I	96	Very high	92.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.186	C	C	.	.			trans	-68.2	130.3	-176.1	-56	176.1	0	0	0	109.4	I166 S167 L184 N187 T191 N212 P213 W214	I166-I189 HydrophobicContact CG2-CG1 4.34Å; I166-I189 WeakPolarHBondContact O-CG1 3.08Å; I166-I189 PolarHBondContact O-N 3.29Å; I166-I189 VanDerWaalsContact O-N 3.12Å; S167-I189 WeakPolarHBondContact O-CA 3.47Å; L184-I189 HydrophobicContact CB-CD1 4.14Å; L184-I189 HydrophobicContact CD1-CD1 4.06Å; L184-I189 HydrophobicContact CD2-CD1 4.13Å; L184-I189 HydrophobicContact CG-CD1 4.35Å; N187-I189 HydrophobicContact CB-CD1 4.41Å; N187-I189 HydrophobicContact CB-CG1 4.15Å; I189-T191 WeakPolarHBondContact CG2-O 3.48Å; I189-N212 HydrophobicContact CB-CB 4.47Å; I189-N212 WeakPolarHBondContact CB-OD1 3.49Å; I189-N212 PolarHBondContact N-OD1 2.8Å; I189-P213 CarbonylContact O-C 3.47Å; I189-P213 VanDerWaalsContact O-CD 3.29Å; I189-P213 WeakPolarHBondContact O-CD 3.34Å; I189-W214 HydrophobicContact CB-CH2 4.18Å; I189-W214 HydrophobicContact CB-CZ3 4.44Å; I189-W214 HydrophobicContact CG2-CE3 4.45Å; I189-W214 HydrophobicContact CG2-CH2 3.59Å; I189-W214 HydrophobicContact CG2-CZ2 4.44Å; I189-W214 HydrophobicContact CG2-CZ3 3.6Å
190	K	93.4	Very high	92.2	Very high	114 Å²	114	40.9 Å²	40.9	50%	0.496	19%	0.192	S	C	.	.			trans	-104.2	-41.2	178.5	-62.8	-170.3	172.9	-168	0	113.1	R188 P213 D215	R188-K190 PolarHBondContact O-N 2.81Å; K190-P213 HydrophobicContact CG-CG 4.43Å; K190-D215 HydrophobicContact CB-CB 4.12Å; K190-D215 PolarHBondContact O-N 3.02Å
191	T	92.7	Very high	92.2	Very high	27 Å²	27	39.4 Å²	39.4	17%	0.166	18%	0.183	C	C	.	.			trans	-139.4	151.4	-178.4	58.2	0	0	0	0	109.1	I189 D215 E219 L220	I189-T191 WeakPolarHBondContact CG2-O 3.48Å; T191-D215 HydrophobicContact CG2-CB 4.49Å; T191-E219 HydrophobicContact CG2-CB 4Å; T191-L220 HydrophobicContact CG2-CD1 4.4Å
192	L	93.7	Very high	91.8	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.037	21%	0.209	C	C	.	.			trans	-139.7	94.8	179.2	-159.1	171.5	0	0	0	107.2	L184 I197 L198 L209 W214 L223	L184-L192 HydrophobicContact CD1-CD1 4.49Å; L192-I197 HydrophobicContact CD2-CB 4.13Å; L192-I197 HydrophobicContact CD2-CG2 3.69Å; L192-L198 HydrophobicContact CD2-CD1 4.04Å; L192-L198 HydrophobicContact CD2-CD2 3.36Å; L192-L198 HydrophobicContact CD2-CG 3.47Å; L192-L198 VanDerWaalsContact CD2-CG 3.47Å; L192-L209 HydrophobicContact CD1-CD2 4.28Å; L192-W214 HydrophobicContact CB-CH2 4.15Å; L192-W214 HydrophobicContact CB-CZ3 3.91Å; L192-W214 HydrophobicContact CD1-CH2 4.22Å; L192-L223 HydrophobicContact CB-CD2 4.38Å
193	P	92.1	Very high	91.3	Very high	48 Å²	48	45.3 Å²	45.3	31%	0.312	24%	0.235	S	C	.	.			trans	-69.9	152.1	-173.3	27.8	-36.5	0	0	0	112.6	I197	P193-I197 HydrophobicContact CG-CD1 3.85Å; P193-I197 HydrophobicContact CG-CG1 4.29Å; P193-I197 WeakPolarHBondContact O-CB 3.47Å
194	Y	91	Very high	91.1	Very high	114 Å²	114	45.5 Å²	45.5	45%	0.447	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-51.4	173.3	-179.6	-86.9	0	0	0	112.9	G196 I197 L198 E199 S222 W226	Y194-G196 PolarHBondContact O-N 2.74Å; Y194-I197 PolarHBondContact O-N 2.76Å; Y194-L198 HydrophobicContact CD2-CB 3.94Å; Y194-L198 HydrophobicContact CG-CB 4.48Å; Y194-L198 PolarHBondContact O-N 3.12Å; Y194-L198 VanDerWaalsContact O-N 3.15Å; Y194-E199 HydrophobicContact CD1-CB 4.26Å; Y194-E199 HydrophobicContact CE1-CB 3.71Å; Y194-E199 HydrophobicContact CE2-CB 4.47Å; Y194-E199 PolarHBondContact O-N 2.7Å; Y194-S222 PolarHBondContact N-OG 2.77Å; Y194-W226 HydrophobicContact CD2-CB 4.41Å
195	E	91.4	Very high	90.6	Very high	155 Å²	155	46.9 Å²	46.9	72%	0.724	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	124.2	-178.9	-171.2	-179.7	171.3	0	0	110.8	I197	E195-I197 PolarHBondContact O-N 2.99Å
196	G	88.4	Confident	90.3	Very high	1 Å²	1	46 Å²	46	1%	0.01	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	6.1	-179.3	0	0	0	0	0	116.8	N172 Y194 E199 Q200	N172-G196 WeakPolarHBondContact CA-O 3.39Å; N172-G196 PolarHBondContact N-O 2.89Å; Y194-G196 PolarHBondContact O-N 2.74Å; G196-E199 VanDerWaalsContact CA-OE1 3.3Å; G196-E199 WeakPolarHBondContact CA-OE1 3.28Å; G196-E199 PolarHBondContact N-OE1 2.77Å; G196-Q200 VanDerWaalsContact O-CD 3.31Å; G196-Q200 PolarHBondContact O-NE2 3.32Å; G196-Q200 PolarHBondContact O-OE1 2.84Å
197	I	92.6	Very high	90.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	-70.3	172.5	-48.1	-174	0	0	0	111.5	L169 F174 L192 P193 Y194 E195 E199 Q200	L169-I197 HydrophobicContact CB-CD1 3.84Å; L169-I197 HydrophobicContact CD1-CG2 4.44Å; L169-I197 WeakPolarHBondContact O-CD1 3.36Å; F174-I197 HydrophobicContact CD2-CG2 3.96Å; F174-I197 HydrophobicContact CE2-CG2 3.79Å; L192-I197 HydrophobicContact CD2-CB 4.13Å; L192-I197 HydrophobicContact CD2-CG2 3.69Å; P193-I197 HydrophobicContact CG-CD1 3.85Å; P193-I197 HydrophobicContact CG-CG1 4.29Å; P193-I197 WeakPolarHBondContact O-CB 3.47Å; Y194-I197 PolarHBondContact O-N 2.76Å; E195-I197 PolarHBondContact O-N 2.99Å; I197-E199 VanDerWaalsContact C-N 3.33Å; I197-E199 PolarHBondContact O-N 3.11Å; I197-Q200 WeakPolarHBondContact O-CB 3.25Å; I197-Q200 PolarHBondContact O-N 3.32Å; I197-Q200 VanDerWaalsContact O-N 3.1Å
198	L	90.8	Very high	89.8	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-67.3	-33.2	-176.1	-60.8	170.8	0	0	0	112.9	L192 Y194 Q200 I201 L223 W226	L192-L198 HydrophobicContact CD2-CD1 4.04Å; L192-L198 HydrophobicContact CD2-CD2 3.36Å; L192-L198 HydrophobicContact CD2-CG 3.47Å; L192-L198 VanDerWaalsContact CD2-CG 3.47Å; Y194-L198 HydrophobicContact CD2-CB 3.94Å; Y194-L198 HydrophobicContact CG-CB 4.48Å; Y194-L198 PolarHBondContact O-N 3.12Å; Y194-L198 VanDerWaalsContact O-N 3.15Å; L198-Q200 PolarHBondContact O-N 3.37Å; L198-Q200 VanDerWaalsContact O-N 3.14Å; L198-I201 HydrophobicContact CD2-CD1 4.13Å; L198-I201 WeakPolarHBondContact O-CG1 3.47Å; L198-I201 PolarHBondContact O-N 3.29Å; L198-L223 HydrophobicContact CD1-CB 4.35Å; L198-L223 HydrophobicContact CD1-CD1 3.79Å; L198-L223 HydrophobicContact CD2-CD1 4.25Å; L198-W226 HydrophobicContact CB-CD2 4.24Å; L198-W226 HydrophobicContact CB-CG 3.99Å; L198-W226 HydrophobicContact CD1-CB 3.75Å; L198-W226 HydrophobicContact CD1-CD2 4Å; L198-W226 HydrophobicContact CD1-CE3 4.27Å; L198-W226 HydrophobicContact CD1-CG 3.78Å; L198-W226 HydrophobicContact CD2-CD2 3.77Å; L198-W226 HydrophobicContact CD2-CE3 3.89Å; L198-W226 HydrophobicContact CD2-CG 4.32Å; L198-W226 HydrophobicContact CD2-CH2 4.11Å; L198-W226 HydrophobicContact CD2-CZ2 3.99Å; L198-W226 HydrophobicContact CD2-CZ3 4.06Å; L198-W226 HydrophobicContact CG-CD2 4.22Å; L198-W226 HydrophobicContact CG-CG 4.25Å
199	E	90.4	Very high	89.6	Confident	88 Å²	88	38.5 Å²	38.5	41%	0.411	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-61.5	-19.7	174.7	72.4	-179.8	177.5	0	0	113.3	Y194 G196 I197	Y194-E199 HydrophobicContact CD1-CB 4.26Å; Y194-E199 HydrophobicContact CE1-CB 3.71Å; Y194-E199 HydrophobicContact CE2-CB 4.47Å; Y194-E199 PolarHBondContact O-N 2.7Å; G196-E199 VanDerWaalsContact CA-OE1 3.3Å; G196-E199 WeakPolarHBondContact CA-OE1 3.28Å; G196-E199 PolarHBondContact N-OE1 2.77Å; I197-E199 VanDerWaalsContact C-N 3.33Å; I197-E199 PolarHBondContact O-N 3.11Å
200	Q	89.9	Confident	89.2	Confident	34 Å²	34	39.3 Å²	39.3	16%	0.159	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-91	-8.3	-175.8	-53.5	-169.4	-14.6	0	0	112.8	N172 F174 G196 I197 L198 P202	N172-Q200 PolarHBondContact OD1-NE2 3.41Å; F174-Q200 HydrophobicContact CB-CB 4.06Å; G196-Q200 VanDerWaalsContact O-CD 3.31Å; G196-Q200 PolarHBondContact O-NE2 3.32Å; G196-Q200 PolarHBondContact O-OE1 2.84Å; I197-Q200 WeakPolarHBondContact O-CB 3.25Å; I197-Q200 PolarHBondContact O-N 3.32Å; I197-Q200 VanDerWaalsContact O-N 3.1Å; L198-Q200 PolarHBondContact O-N 3.37Å; L198-Q200 VanDerWaalsContact O-N 3.14Å; Q200-P202 WeakPolarHBondContact O-CD 3.32Å
201	I	89.1	Confident	89	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	22%	0.215	C	C	.	.			trans	-119.5	51.1	-179.3	59.7	172.8	0	0	0	113.5	F174 I179 L182 L198 G203 W226	F174-I201 HydrophobicContact CB-CG2 4.15Å; F174-I201 HydrophobicContact CD2-CG2 3.8Å; F174-I201 HydrophobicContact CE2-CG2 4.48Å; F174-I201 HydrophobicContact CG-CG2 4.07Å; I179-I201 HydrophobicContact CB-CG2 4.16Å; L182-I201 HydrophobicContact CD2-CD1 4.44Å; L198-I201 HydrophobicContact CD2-CD1 4.13Å; L198-I201 WeakPolarHBondContact O-CG1 3.47Å; L198-I201 PolarHBondContact O-N 3.29Å; I201-G203 VanDerWaalsContact C-N 3.27Å; I201-G203 PolarHBondContact O-N 3.04Å; I201-W226 HydrophobicContact CD1-CH2 4.36Å; I201-W226 HydrophobicContact CD1-CZ2 3.98Å; I201-W226 HydrophobicContact CG1-CZ2 4.19Å
202	P	79.6	Confident	89.1	Confident	107 Å²	107	37.8 Å²	37.8	70%	0.695	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.4	-176	31.8	-37.8	0	0	0	114.3	Q200	Q200-P202 WeakPolarHBondContact O-CD 3.32Å
203	G	81.8	Confident	89.2	Confident	55 Å²	55	38.2 Å²	38.2	57%	0.567	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	17.9	-176.5	0	0	0	0	0	114.8	I201	I201-G203 VanDerWaalsContact C-N 3.27Å; I201-G203 PolarHBondContact O-N 3.04Å
204	I	87.2	Confident	89.3	Confident	7 Å²	7	36 Å²	36	4%	0.036	20%	0.199	C	C	.	.			trans	-70.5	135.9	-168.1	-156.6	70.1	0	0	0	112.7	I179 T180 L182 V207 W226 I230	I179-I204 HydrophobicContact CG2-CD1 3.83Å; T180-I204 WeakPolarHBondContact O-CD1 3.15Å; L182-I204 HydrophobicContact CB-CD1 4.3Å; I204-V207 HydrophobicContact CB-CG2 4.38Å; I204-V207 HydrophobicContact CD1-CG2 3.97Å; I204-V207 HydrophobicContact CG1-CG2 3.22Å; I204-V207 HydrophobicContact CG2-CG2 4.29Å; I204-W226 HydrophobicContact CG2-CH2 4.34Å; I204-W226 HydrophobicContact CG2-CZ2 4.01Å; I204-I230 HydrophobicContact CG2-CD1 3.85Å; I204-I230 HydrophobicContact CG2-CG1 4.3Å
205	A	84.4	Confident	89.4	Confident	29 Å²	29	32.6 Å²	32.6	24%	0.24	19%	0.188	C	C	.	.	S	Bend	trans	-112	-24.3	-178.5	0	0	0	0	0	113.2	T180 A234 L235 R478	T180-A205 PolarHBondContact O-N 3.11Å; A205-A234 WeakPolarHBondContact O-CA 3.3Å; A205-L235 PolarHBondContact O-N 3.4Å; A205-R478 PolarHBondContact O-NH2 2.83Å
206	E	85.2	Confident	89.5	Confident	8 Å²	8	25.2 Å²	25.2	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	127	174.7	-170.5	173.3	119.2	0	0	110.8	T180 H181 L182 L208 L235	T180-E206 PolarHBondContact O-N 3.18Å; T180-E206 VanDerWaalsContact O-N 3.13Å; H181-E206 WeakPolarHBondContact CA-O 3.27Å; H181-E206 HydrophobicContact CB-CB 4.47Å; L182-E206 PolarHBondContact N-O 3.16Å; E206-L208 HydrophobicContact CG-CD2 4.19Å; E206-L208 HydrophobicContact CG-CG 4.2Å; E206-L235 CarbonylContact C-O 3.48Å; E206-L235 VanDerWaalsContact CA-O 3.27Å; E206-L235 WeakPolarHBondContact CA-O 3.38Å; E206-L235 HydrophobicContact CG-CB 4.3Å; E206-L235 HydrophobicContact CG-CD2 4.35Å; E206-L235 HydrophobicContact CG-CG 4.5Å
207	V	90.3	Very high	89.6	Confident	3 Å²	3	27 Å²	27	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	122.6	166	-166.3	0	0	0	0	110.5	L182 I204 L209 W226 L235 I236 G237	L182-V207 HydrophobicContact CB-CG1 4.34Å; L182-V207 HydrophobicContact CD2-CG1 4.4Å; L182-V207 HydrophobicContact CG-CG1 4.4Å; L182-V207 WeakPolarHBondContact O-CA 3.36Å; I204-V207 HydrophobicContact CB-CG2 4.38Å; I204-V207 HydrophobicContact CD1-CG2 3.97Å; I204-V207 HydrophobicContact CG1-CG2 3.22Å; I204-V207 HydrophobicContact CG2-CG2 4.29Å; V207-L209 HydrophobicContact CG1-CD1 4.34Å; V207-L209 HydrophobicContact CG1-CD2 3.61Å; V207-L209 HydrophobicContact CG1-CG 3.72Å; V207-W226 HydrophobicContact CG2-CH2 4.08Å; V207-L235 PolarHBondContact N-O 2.71Å; V207-I236 CarbonylContact O-C 3.01Å; V207-I236 WeakPolarHBondContact O-CA 3.31Å; V207-G237 PolarHBondContact O-N 2.89Å
208	L	89.6	Confident	89.5	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109.7	177.4	-54.1	-178.9	0	0	0	109.6	L182 L184 R185 E206 Y455	L182-L208 PolarHBondContact O-N 3.01Å; L184-L208 PolarHBondContact N-O 2.79Å; R185-L208 HydrophobicContact CG-CB 3.63Å; R185-L208 PolarHBondContact N-O 3.25Å; E206-L208 HydrophobicContact CG-CD2 4.19Å; E206-L208 HydrophobicContact CG-CG 4.2Å; L208-Y455 HydrophobicContact CD2-CE2 4.35Å
209	L	92.6	Very high	89.4	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	21%	0.206	C	C	.	.			trans	-110.8	2.6	-173.3	-65.7	-176.5	0	0	0	114.2	L184 L192 V207 N212 W214 L223 V239	L184-L209 HydrophobicContact CB-CD2 4.38Å; L184-L209 HydrophobicContact CD1-CD2 3.99Å; L192-L209 HydrophobicContact CD1-CD2 4.28Å; V207-L209 HydrophobicContact CG1-CD1 4.34Å; V207-L209 HydrophobicContact CG1-CD2 3.61Å; V207-L209 HydrophobicContact CG1-CG 3.72Å; L209-N212 PolarHBondContact O-ND2 2.99Å; L209-W214 HydrophobicContact CB-CZ2 3.88Å; L209-W214 HydrophobicContact CD1-CZ2 4.41Å; L209-W214 HydrophobicContact CD2-CH2 4.28Å; L209-W214 HydrophobicContact CD2-CZ2 4.09Å; L209-W214 HydrophobicContact CG-CZ2 4.34Å; L209-W214 PolarHBondContact O-NE1 2.92Å; L209-L223 HydrophobicContact CD1-CD1 4.36Å; L209-V239 HydrophobicContact CB-CG2 3.93Å; L209-V239 HydrophobicContact CD1-CG2 3.67Å; L209-V239 HydrophobicContact CG-CG2 4.46Å
210	E	87.8	Confident	89.5	Confident	17 Å²	17	31 Å²	31	8%	0.079	19%	0.187	C	C	.	.			trans	-60.4	165.2	-178.2	-65	141.9	-151.1	0	0	112.7	R185 G186 N212 G237 Y433 Y455	R185-E210 VanDerWaalsContact CA-O 3.28Å; R185-E210 WeakPolarHBondContact CA-O 3.37Å; R185-E210 WeakPolarHBondContact CD-OE2 3.43Å; R185-E210 HydrophobicContact CG-CB 3.93Å; G186-E210 PolarHBondContact N-O 3.04Å; E210-N212 PolarHBondContact O-N 2.78Å; E210-N212 VanDerWaalsContact O-N 3.15Å; E210-N212 PolarHBondContact O-ND2 3.37Å; E210-G237 WeakPolarHBondContact OE1-CA 3.5Å; E210-Y433 PolarHBondContact OE1-OH 3.07Å; E210-Y455 PolarHBondContact OE2-OH 3.21Å
211	D	88.8	Confident	89.5	Confident	99 Å²	99	30.6 Å²	30.6	53%	0.529	19%	0.186	S	C	.	.	S	Bend	trans	51.4	38.9	175.7	-62.6	-45.8	0	0	0	114.6	G186	G186-D211 VanDerWaalsContact CA-O 3.29Å; G186-D211 WeakPolarHBondContact CA-O 3.42Å; G186-D211 PolarHBondContact N-O 3.34Å
212	N	94.9	Very high	89.6	Confident	10 Å²	10	31.8 Å²	31.8	5%	0.053	19%	0.194	C	C	.	.			trans	-120.3	143.6	174.1	-84.5	-86.1	0	0	0	111.2	L184 N187 R188 I189 L209 E210 W214	L184-N212 PolarHBondContact O-ND2 3.45Å; N187-N212 WeakPolarHBondContact CA-OD1 3.41Å; N187-N212 WeakPolarHBondContact CB-OD1 3.44Å; R188-N212 PolarHBondContact N-OD1 3.27Å; I189-N212 HydrophobicContact CB-CB 4.47Å; I189-N212 WeakPolarHBondContact CB-OD1 3.49Å; I189-N212 PolarHBondContact N-OD1 2.8Å; L209-N212 PolarHBondContact O-ND2 2.99Å; E210-N212 PolarHBondContact O-N 2.78Å; E210-N212 VanDerWaalsContact O-N 3.15Å; E210-N212 PolarHBondContact O-ND2 3.37Å; N212-W214 VanDerWaalsContact C-N 3.26Å; N212-W214 HydrophobicContact CB-CD2 4.37Å; N212-W214 HydrophobicContact CB-CZ2 3.93Å; N212-W214 PolarHBondContact O-N 3.16Å
213	P	94.6	Very high	90.2	Very high	17 Å²	17	26.7 Å²	26.7	11%	0.11	16%	0.161	C	C	.	.			trans	-80.2	63.2	-175.7	35.7	-39.7	0	0	0	112.4	R188 I189 K190 D215 E242	R188-P213 HydrophobicContact CB-CG 4.44Å; R188-P213 WeakPolarHBondContact O-CG 3.47Å; I189-P213 CarbonylContact O-C 3.47Å; I189-P213 VanDerWaalsContact O-CD 3.29Å; I189-P213 WeakPolarHBondContact O-CD 3.34Å; K190-P213 HydrophobicContact CG-CG 4.43Å; P213-D215 PolarHBondContact O-N 3.27Å; P213-E242 WeakPolarHBondContact CA-OE2 3.08Å; P213-E242 HydrophobicContact CB-CB 4.39Å; P213-E242 WeakPolarHBondContact CB-OE2 3.06Å
214	W	95.1	Very high	90.5	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	130.5	-174.1	-63.1	105.6	0	0	0	112.7	I189 L192 L209 N212 L220 L223 V239 E242 A243	I189-W214 HydrophobicContact CB-CH2 4.18Å; I189-W214 HydrophobicContact CB-CZ3 4.44Å; I189-W214 HydrophobicContact CG2-CE3 4.45Å; I189-W214 HydrophobicContact CG2-CH2 3.59Å; I189-W214 HydrophobicContact CG2-CZ2 4.44Å; I189-W214 HydrophobicContact CG2-CZ3 3.6Å; L192-W214 HydrophobicContact CB-CH2 4.15Å; L192-W214 HydrophobicContact CB-CZ3 3.91Å; L192-W214 HydrophobicContact CD1-CH2 4.22Å; L209-W214 HydrophobicContact CB-CZ2 3.88Å; L209-W214 HydrophobicContact CD1-CZ2 4.41Å; L209-W214 HydrophobicContact CD2-CH2 4.28Å; L209-W214 HydrophobicContact CD2-CZ2 4.09Å; L209-W214 HydrophobicContact CG-CZ2 4.34Å; L209-W214 PolarHBondContact O-NE1 2.92Å; N212-W214 VanDerWaalsContact C-N 3.26Å; N212-W214 HydrophobicContact CB-CD2 4.37Å; N212-W214 HydrophobicContact CB-CZ2 3.93Å; N212-W214 PolarHBondContact O-N 3.16Å; W214-L220 HydrophobicContact CB-CD2 4.29Å; W214-L220 HydrophobicContact CE3-CD1 3.79Å; W214-L220 HydrophobicContact CZ3-CD1 4.16Å; W214-L223 HydrophobicContact CE3-CD2 4.19Å; W214-L223 HydrophobicContact CH2-CD2 4.22Å; W214-L223 HydrophobicContact CZ3-CD2 3.85Å; W214-V239 HydrophobicContact CB-CG1 4.22Å; W214-V239 HydrophobicContact CD2-CG1 3.72Å; W214-V239 HydrophobicContact CE3-CG1 4.33Å; W214-V239 HydrophobicContact CG-CG1 3.62Å; W214-E242 PolarHBondContact O-N 3.31Å; W214-A243 PolarHBondContact O-N 3.32Å
215	D	93.4	Very high	90.5	Very high	41 Å²	41	29 Å²	29	22%	0.219	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	93.3	176.8	-170	4.5	0	0	0	109.5	K190 T191 P213 N217 A243	K190-D215 HydrophobicContact CB-CB 4.12Å; K190-D215 PolarHBondContact O-N 3.02Å; T191-D215 HydrophobicContact CG2-CB 4.49Å; P213-D215 PolarHBondContact O-N 3.27Å; D215-N217 PolarHBondContact O-N 2.94Å; D215-N217 PolarHBondContact OD1-ND2 3.03Å; D215-N217 PolarHBondContact OD2-ND2 2.94Å; D215-A243 HydrophobicContact CB-CB 4.2Å; D215-A243 WeakPolarHBondContact OD1-CB 3.48Å
216	C	92.6	Very high	90.7	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	15%	0.15	C	C	.	.			trans	-74.3	68.3	-178.4	-69.5	0	0	0	0	111.6	L220 C241 A243 P244 L247 L260	C216-L220 HydrophobicContact CB-CD2 4.25Å; C216-L220 VanDerWaalsContact SG-CD2 3.54Å; C216-C241 HydrophobicContact CB-CB 3.72Å; C216-C241 WeakPolarHBondContact CB-SG 3.38Å; C216-C241 WeakPolarHBondContact SG-CA 3.37Å; C216-C241 WeakPolarHBondContact SG-CB 3.48Å; C216-C241 CovalentContact SG-SG 2.02Å; C216-C241 PolarHBondContact SG-SG 3.25Å; C216-A243 WeakPolarHBondContact CB-O 3.02Å; C216-A243 PolarHBondContact N-O 3.02Å; C216-P244 VanDerWaalsContact O-CD 3.24Å; C216-P244 WeakPolarHBondContact O-CD 3.4Å; C216-L247 HydrophobicContact CB-CB 4.39Å; C216-L247 HydrophobicContact CB-CD1 4.03Å; C216-L247 WeakPolarHBondContact O-CD1 3.41Å; C216-L260 HydrophobicContact CB-CD2 3.61Å; C216-L260 WeakPolarHBondContact O-CD2 3.21Å
217	N	91	Very high	90.7	Very high	39 Å²	39	29.3 Å²	29.3	21%	0.209	15%	0.153	C	C	.	.	S	Bend	trans	-113.1	-170.6	171.5	72	46.6	0	0	0	109.8	D215 E219 L220 L260	D215-N217 PolarHBondContact O-N 2.94Å; D215-N217 PolarHBondContact OD1-ND2 3.03Å; D215-N217 PolarHBondContact OD2-ND2 2.94Å; N217-E219 VanDerWaalsContact C-N 3.27Å; N217-E219 PolarHBondContact O-N 2.9Å; N217-E219 VanDerWaalsContact OD1-CB 3.31Å; N217-E219 WeakPolarHBondContact OD1-CB 3.27Å; N217-E219 WeakPolarHBondContact OD1-CG 3.27Å; N217-E219 PolarHBondContact OD1-N 3.03Å; N217-L220 PolarHBondContact O-N 2.97Å; N217-L260 CarbonylContact C-O 3.41Å
218	C	90.6	Very high	90.3	Very high	50 Å²	50	33 Å²	33	34%	0.338	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-56.9	-30.4	179.9	-79.4	0	0	0	0	116.1	L220 L221 L260 C261	C218-L220 PolarHBondContact O-N 3.11Å; C218-L221 WeakPolarHBondContact O-CB 3.39Å; C218-L221 PolarHBondContact O-N 2.89Å; C218-L260 PolarHBondContact N-O 3.44Å; C218-C261 WeakPolarHBondContact CA-SG 3.17Å; C218-C261 HydrophobicContact CB-CB 4.47Å; C218-C261 WeakPolarHBondContact CB-SG 3.41Å; C218-C261 WeakPolarHBondContact SG-CA 3.36Å; C218-C261 WeakPolarHBondContact SG-CB 3.43Å; C218-C261 CovalentContact SG-SG 2.04Å; C218-C261 PolarHBondContact SG-SG 2.02Å
219	E	89.5	Confident	90	Very high	125 Å²	125	39.5 Å²	39.5	58%	0.584	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-67	-29.5	-178.9	-60.1	178.5	179.7	0	0	111.4	T191 N217 L221 S222	T191-E219 HydrophobicContact CG2-CB 4Å; N217-E219 VanDerWaalsContact C-N 3.27Å; N217-E219 PolarHBondContact O-N 2.9Å; N217-E219 VanDerWaalsContact OD1-CB 3.31Å; N217-E219 WeakPolarHBondContact OD1-CB 3.27Å; N217-E219 WeakPolarHBondContact OD1-CG 3.27Å; N217-E219 PolarHBondContact OD1-N 3.03Å; E219-L221 VanDerWaalsContact C-N 3.31Å; E219-L221 PolarHBondContact O-N 3.28Å; E219-S222 PolarHBondContact O-OG 3Å
220	L	92.1	Very high	89.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-80.7	-8.5	-179	-151.5	68.9	0	0	0	113.8	T191 W214 C216 N217 C218 S222 L223 K224 L252	T191-L220 HydrophobicContact CG2-CD1 4.4Å; W214-L220 HydrophobicContact CB-CD2 4.29Å; W214-L220 HydrophobicContact CE3-CD1 3.79Å; W214-L220 HydrophobicContact CZ3-CD1 4.16Å; C216-L220 HydrophobicContact CB-CD2 4.25Å; C216-L220 VanDerWaalsContact SG-CD2 3.54Å; N217-L220 PolarHBondContact O-N 2.97Å; C218-L220 PolarHBondContact O-N 3.11Å; L220-S222 PolarHBondContact O-N 3.31Å; L220-L223 HydrophobicContact CD1-CB 4.14Å; L220-L223 HydrophobicContact CD1-CD2 3.71Å; L220-L223 HydrophobicContact CG-CB 4.35Å; L220-L223 HydrophobicContact CG-CD2 4.26Å; L220-L223 PolarHBondContact O-N 2.82Å; L220-L223 VanDerWaalsContact O-N 3.16Å; L220-K224 PolarHBondContact O-N 3.21Å; L220-K224 VanDerWaalsContact O-N 3.09Å; L220-L252 HydrophobicContact CD2-CD1 3.85Å; L220-L252 HydrophobicContact CD2-CD2 3.85Å; L220-L252 HydrophobicContact CD2-CG 4.42Å; L220-L252 HydrophobicContact CG-CD1 4.17Å; L220-L252 HydrophobicContact CG-CD2 3.81Å
221	L	90	Very high	88.6	Confident	26 Å²	26	42.8 Å²	42.8	14%	0.136	23%	0.226	C	C	.	.	H	α-helix	trans	-55.7	-39.7	174.1	177.9	60.7	0	0	0	111.4	C218 E219 L223 K224 E225 E257 L260	C218-L221 WeakPolarHBondContact O-CB 3.39Å; C218-L221 PolarHBondContact O-N 2.89Å; E219-L221 VanDerWaalsContact C-N 3.31Å; E219-L221 PolarHBondContact O-N 3.28Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 2.82Å; L221-K224 WeakPolarHBondContact O-CB 3.46Å; L221-K224 PolarHBondContact O-N 3.27Å; L221-K224 VanDerWaalsContact O-N 3.09Å; L221-E225 HydrophobicContact CD1-CG 4.42Å; L221-E225 PolarHBondContact O-N 3.22Å; L221-E257 HydrophobicContact CD1-CB 4.25Å; L221-E257 HydrophobicContact CD1-CG 3.76Å; L221-L260 HydrophobicContact CD1-CD1 4.48Å
222	S	90.1	Very high	87.4	Confident	30 Å²	30	46.8 Å²	46.8	21%	0.21	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-32	-180	69.4	0	0	0	0	113.8	Y194 E219 L220 W226	Y194-S222 PolarHBondContact N-OG 2.77Å; E219-S222 PolarHBondContact O-OG 3Å; L220-S222 PolarHBondContact O-N 3.31Å; S222-W226 PolarHBondContact O-N 3.02Å
223	L	91.9	Very high	86.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.8	-41.9	169.9	178.2	63.2	0	0	0	110.7	L192 L198 L209 W214 L220 L221 W226 L227 V239 L252	L192-L223 HydrophobicContact CB-CD2 4.38Å; L198-L223 HydrophobicContact CD1-CB 4.35Å; L198-L223 HydrophobicContact CD1-CD1 3.79Å; L198-L223 HydrophobicContact CD2-CD1 4.25Å; L209-L223 HydrophobicContact CD1-CD1 4.36Å; W214-L223 HydrophobicContact CE3-CD2 4.19Å; W214-L223 HydrophobicContact CH2-CD2 4.22Å; W214-L223 HydrophobicContact CZ3-CD2 3.85Å; L220-L223 HydrophobicContact CD1-CB 4.14Å; L220-L223 HydrophobicContact CD1-CD2 3.71Å; L220-L223 HydrophobicContact CG-CB 4.35Å; L220-L223 HydrophobicContact CG-CD2 4.26Å; L220-L223 PolarHBondContact O-N 2.82Å; L220-L223 VanDerWaalsContact O-N 3.16Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 2.82Å; L223-W226 HydrophobicContact CD1-CE3 3.96Å; L223-W226 HydrophobicContact CD1-CZ3 4.34Å; L223-W226 PolarHBondContact O-N 2.7Å; L223-L227 HydrophobicContact CD1-CD1 4.45Å; L223-L227 HydrophobicContact CD1-CG 4.32Å; L223-L227 HydrophobicContact CG-CD1 4.06Å; L223-L227 HydrophobicContact CG-CG 4.38Å; L223-L227 VanDerWaalsContact O-CG 3.28Å; L223-L227 WeakPolarHBondContact O-CG 3.3Å; L223-L227 PolarHBondContact O-N 3.44Å; L223-V239 HydrophobicContact CD2-CG1 4.12Å; L223-V239 HydrophobicContact CD2-CG2 4.34Å; L223-L252 HydrophobicContact CB-CD2 4.26Å; L223-L252 HydrophobicContact CD2-CD2 3.91Å; L223-L252 HydrophobicContact CG-CD2 3.97Å
224	K	88.8	Confident	85.4	Confident	16 Å²	16	51 Å²	51	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-59.7	-50.5	178.2	-169.3	-167.1	174.1	-139.8	0	111.8	L220 L221 W226 L227 E228 L252 T255 L260	L220-K224 PolarHBondContact O-N 3.21Å; L220-K224 VanDerWaalsContact O-N 3.09Å; L221-K224 WeakPolarHBondContact O-CB 3.46Å; L221-K224 PolarHBondContact O-N 3.27Å; L221-K224 VanDerWaalsContact O-N 3.09Å; K224-W226 PolarHBondContact O-N 3.25Å; K224-L227 PolarHBondContact O-N 3.09Å; K224-E228 WeakPolarHBondContact CE-OE1 3.24Å; K224-E228 IonicContact NZ-OE1 3.44Å; K224-E228 PolarHBondContact NZ-OE1 2.04Å; K224-E228 PolarHBondContact O-N 3.02Å; K224-L252 HydrophobicContact CB-CD1 4.04Å; K224-L252 HydrophobicContact CB-CD2 4.1Å; K224-L252 HydrophobicContact CB-CG 3.88Å; K224-L252 WeakPolarHBondContact CE-O 3.37Å; K224-L252 HydrophobicContact CG-CD1 4.34Å; K224-L252 HydrophobicContact CG-CG 4.06Å; K224-T255 WeakPolarHBondContact CE-O 3.34Å; K224-T255 PolarHBondContact NZ-O 3.27Å; K224-L260 HydrophobicContact CD-CD1 4.17Å
225	E	87.3	Confident	84.4	Confident	94 Å²	94	51 Å²	51	44%	0.439	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-37.4	177.5	-71.8	175.3	-166.5	0	0	112.1	L221 N229	L221-E225 HydrophobicContact CD1-CG 4.42Å; L221-E225 PolarHBondContact O-N 3.22Å; E225-N229 PolarHBondContact O-N 3.31Å; E225-N229 PolarHBondContact O-ND2 3.02Å
226	W	88.4	Confident	83.8	Confident	27 Å²	27	50.3 Å²	50.3	10%	0.102	25%	0.252	C	S	.	.	H	α-helix	trans	-68.2	-44.4	176.1	179.1	84.8	0	0	0	112.4	Y194 L198 I201 I204 V207 S222 L223 K224 E228 N229 I230	Y194-W226 HydrophobicContact CD2-CB 4.41Å; L198-W226 HydrophobicContact CB-CD2 4.24Å; L198-W226 HydrophobicContact CB-CG 3.99Å; L198-W226 HydrophobicContact CD1-CB 3.75Å; L198-W226 HydrophobicContact CD1-CD2 4Å; L198-W226 HydrophobicContact CD1-CE3 4.27Å; L198-W226 HydrophobicContact CD1-CG 3.78Å; L198-W226 HydrophobicContact CD2-CD2 3.77Å; L198-W226 HydrophobicContact CD2-CE3 3.89Å; L198-W226 HydrophobicContact CD2-CG 4.32Å; L198-W226 HydrophobicContact CD2-CH2 4.11Å; L198-W226 HydrophobicContact CD2-CZ2 3.99Å; L198-W226 HydrophobicContact CD2-CZ3 4.06Å; L198-W226 HydrophobicContact CG-CD2 4.22Å; L198-W226 HydrophobicContact CG-CG 4.25Å; I201-W226 HydrophobicContact CD1-CH2 4.36Å; I201-W226 HydrophobicContact CD1-CZ2 3.98Å; I201-W226 HydrophobicContact CG1-CZ2 4.19Å; I204-W226 HydrophobicContact CG2-CH2 4.34Å; I204-W226 HydrophobicContact CG2-CZ2 4.01Å; V207-W226 HydrophobicContact CG2-CH2 4.08Å; S222-W226 PolarHBondContact O-N 3.02Å; L223-W226 HydrophobicContact CD1-CE3 3.96Å; L223-W226 HydrophobicContact CD1-CZ3 4.34Å; L223-W226 PolarHBondContact O-N 2.7Å; K224-W226 PolarHBondContact O-N 3.25Å; W226-E228 VanDerWaalsContact C-N 3.28Å; W226-E228 PolarHBondContact O-N 2.99Å; W226-N229 PolarHBondContact O-N 3Å; W226-N229 VanDerWaalsContact O-N 3.14Å; W226-I230 HydrophobicContact CD2-CD1 4.4Å; W226-I230 HydrophobicContact CE3-CD1 4.24Å; W226-I230 HydrophobicContact CH2-CD1 3.38Å; W226-I230 HydrophobicContact CZ2-CD1 3.56Å; W226-I230 HydrophobicContact CZ2-CG1 4.44Å; W226-I230 HydrophobicContact CZ3-CD1 3.75Å; W226-I230 PolarHBondContact O-N 3.05Å; W226-I230 VanDerWaalsContact O-N 3.12Å
227	L	86.5	Confident	83.1	Confident	17 Å²	17	50.4 Å²	50.4	9%	0.089	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-36.1	175.2	-69.2	169.8	0	0	0	112.4	L223 K224 N229 I230 I236 V239 L252	L223-L227 HydrophobicContact CD1-CD1 4.45Å; L223-L227 HydrophobicContact CD1-CG 4.32Å; L223-L227 HydrophobicContact CG-CD1 4.06Å; L223-L227 HydrophobicContact CG-CG 4.38Å; L223-L227 VanDerWaalsContact O-CG 3.28Å; L223-L227 WeakPolarHBondContact O-CG 3.3Å; L223-L227 PolarHBondContact O-N 3.44Å; K224-L227 PolarHBondContact O-N 3.09Å; L227-N229 VanDerWaalsContact C-N 3.34Å; L227-I230 WeakPolarHBondContact O-CG2 3.38Å; L227-I236 HydrophobicContact CD2-CG2 3.63Å; L227-V239 HydrophobicContact CD1-CB 4.48Å; L227-V239 HydrophobicContact CD1-CG2 4.06Å; L227-L252 HydrophobicContact CD1-CD2 3.94Å
228	E	81.8	Confident	82.5	Confident	80 Å²	80	49.5 Å²	49.5	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-71.4	-24.4	177.3	-71.3	-174.8	-179.4	0	0	113.5	K224 W226	K224-E228 WeakPolarHBondContact CE-OE1 3.24Å; K224-E228 IonicContact NZ-OE1 3.44Å; K224-E228 PolarHBondContact NZ-OE1 2.04Å; K224-E228 PolarHBondContact O-N 3.02Å; W226-E228 VanDerWaalsContact C-N 3.28Å; W226-E228 PolarHBondContact O-N 2.99Å
229	N	81.9	Confident	82.4	Confident	137 Å²	137	47.2 Å²	47.2	73%	0.733	23%	0.232	S	C	*	.	H	α-helix	trans	-106.6	-3.3	-173.7	-74.1	-69.4	0	0	0	115.1	E225 W226 L227	E225-N229 PolarHBondContact O-N 3.31Å; E225-N229 PolarHBondContact O-ND2 3.02Å; W226-N229 PolarHBondContact O-N 3Å; W226-N229 VanDerWaalsContact O-N 3.14Å; L227-N229 VanDerWaalsContact C-N 3.34Å
230	I	78.4	Confident	82.3	Confident	24 Å²	24	43.1 Å²	43.1	12%	0.123	22%	0.215	C	C	.	.	S	Bend	trans	-68.3	148.3	-177.1	-154.8	168	0	0	0	112.4	I204 W226 L227 R232 A234 I236	I204-I230 HydrophobicContact CG2-CD1 3.85Å; I204-I230 HydrophobicContact CG2-CG1 4.3Å; W226-I230 HydrophobicContact CD2-CD1 4.4Å; W226-I230 HydrophobicContact CE3-CD1 4.24Å; W226-I230 HydrophobicContact CH2-CD1 3.38Å; W226-I230 HydrophobicContact CZ2-CD1 3.56Å; W226-I230 HydrophobicContact CZ2-CG1 4.44Å; W226-I230 HydrophobicContact CZ3-CD1 3.75Å; W226-I230 PolarHBondContact O-N 3.05Å; W226-I230 VanDerWaalsContact O-N 3.12Å; L227-I230 WeakPolarHBondContact O-CG2 3.38Å; I230-R232 PolarHBondContact O-N 3.24Å; I230-A234 HydrophobicContact CD1-CB 4.35Å; I230-A234 HydrophobicContact CG1-CB 4.27Å; I230-I236 HydrophobicContact CD1-CD1 3.99Å; I230-I236 HydrophobicContact CD1-CG1 3.96Å; I230-I236 HydrophobicContact CG2-CD1 3.5Å
231	P	72.3	Confident	82.2	Confident	64 Å²	64	43.2 Å²	43.2	42%	0.416	22%	0.216	S	C	.	.			trans	-61.3	136	178.3	23.6	-36.3	0	0	0	113.2	N233 A234	P231-N233 PolarHBondContact O-N 3.04Å; P231-A234 HydrophobicContact CG-CB 4.49Å; P231-A234 WeakPolarHBondContact O-CB 3.39Å; P231-A234 PolarHBondContact O-N 3.32Å
232	R	65.1	Low	82.2	Confident	182 Å²	182	47 Å²	47	69%	0.687	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	1.5	-169.9	-58.1	-173	-170.7	150.8	10	116.7	I230 R430	I230-R232 PolarHBondContact O-N 3.24Å; R232-R430 PolarHBondContact O-NH1 3.26Å
233	N	69.1	Low	82.1	Confident	113 Å²	113	47.1 Å²	47.1	60%	0.604	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109	-4.1	175.2	64.2	-50.5	0	0	0	112.4	P231 R478	P231-N233 PolarHBondContact O-N 3.04Å; N233-R478 PolarHBondContact O-NH1 2.97Å
234	A	76.9	Confident	82	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.033	25%	0.252	C	S	.	.	S	Bend	trans	-71.2	130.2	167.2	0	0	0	0	0	109	A205 I230 P231 I236	A205-A234 WeakPolarHBondContact O-CA 3.3Å; I230-A234 HydrophobicContact CD1-CB 4.35Å; I230-A234 HydrophobicContact CG1-CB 4.27Å; P231-A234 HydrophobicContact CG-CB 4.49Å; P231-A234 WeakPolarHBondContact O-CB 3.39Å; P231-A234 PolarHBondContact O-N 3.32Å; A234-I236 HydrophobicContact CB-CD1 4.09Å; A234-I236 HydrophobicContact CB-CG1 4.4Å; A234-I236 WeakPolarHBondContact O-CD1 3.44Å
235	L	75.5	Confident	81.8	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	118.1	173.8	177.1	61.7	0	0	0	108.7	A205 E206 V207 W431 E454 Y455 V479	A205-L235 PolarHBondContact O-N 3.4Å; E206-L235 CarbonylContact C-O 3.48Å; E206-L235 VanDerWaalsContact CA-O 3.27Å; E206-L235 WeakPolarHBondContact CA-O 3.38Å; E206-L235 HydrophobicContact CG-CB 4.3Å; E206-L235 HydrophobicContact CG-CD2 4.35Å; E206-L235 HydrophobicContact CG-CG 4.5Å; V207-L235 PolarHBondContact N-O 2.71Å; L235-W431 HydrophobicContact CD1-CZ2 4.03Å; L235-E454 HydrophobicContact CD1-CB 4.23Å; L235-Y455 HydrophobicContact CD2-CD2 4.45Å; L235-V479 HydrophobicContact CD2-CB 4.11Å; L235-V479 HydrophobicContact CD2-CG2 3.32Å
236	I	80.9	Confident	81.7	Confident	27 Å²	27	57 Å²	57	14%	0.138	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.7	-176.4	-54	118.3	0	0	0	110.1	V207 L227 I230 A234 W431	V207-I236 CarbonylContact O-C 3.01Å; V207-I236 WeakPolarHBondContact O-CA 3.31Å; L227-I236 HydrophobicContact CD2-CG2 3.63Å; I230-I236 HydrophobicContact CD1-CD1 3.99Å; I230-I236 HydrophobicContact CD1-CG1 3.96Å; I230-I236 HydrophobicContact CG2-CD1 3.5Å; A234-I236 HydrophobicContact CB-CD1 4.09Å; A234-I236 HydrophobicContact CB-CG1 4.4Å; A234-I236 WeakPolarHBondContact O-CD1 3.44Å; I236-W431 WeakPolarHBondContact O-CZ2 3.43Å; I236-W431 PolarHBondContact O-NE1 3.27Å
237	G	76.4	Confident	81.6	Confident	4 Å²	4	55.8 Å²	55.8	4%	0.041	29%	0.285	C	S	.	.			trans	-79.3	153.4	172.2	0	0	0	0	0	112.6	V207 E210	V207-G237 PolarHBondContact O-N 2.89Å; E210-G237 WeakPolarHBondContact OE1-CA 3.5Å
238	R	79.3	Confident	81.4	Confident	19 Å²	19	60.3 Å²	60.3	7%	0.072	31%	0.306	C	S	.	.			trans	-63.3	147.7	-176.4	-65.3	-175.6	73.8	-155.7	-7.7	113.1	V240 D251 L407 D409 Y433	R238-V240 HydrophobicContact CB-CG2 4.26Å; R238-D251 IonicContact CZ-OD2 3.25Å; R238-D251 VanDerWaalsContact CZ-OD2 3.24Å; R238-D251 IonicContact NE-OD2 3.02Å; R238-D251 PolarHBondContact NE-OD2 3.02Å; R238-D251 IonicContact NH2-OD2 3.73Å; R238-D251 PolarHBondContact NH2-OD2 3.05Å; R238-L407 HydrophobicContact CG-CD1 3.68Å; R238-D409 IonicContact NH1-OD2 3.14Å; R238-D409 PolarHBondContact NH1-OD2 3.16Å; R238-Y433 HydrophobicContact CG-CE2 4.26Å
239	V	88.9	Confident	81.2	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.012	29%	0.291	C	S	.	.			trans	-114.9	91.8	172.5	-179.5	0	0	0	0	108.5	L209 W214 L223 L227 L252	L209-V239 HydrophobicContact CB-CG2 3.93Å; L209-V239 HydrophobicContact CD1-CG2 3.67Å; L209-V239 HydrophobicContact CG-CG2 4.46Å; W214-V239 HydrophobicContact CB-CG1 4.22Å; W214-V239 HydrophobicContact CD2-CG1 3.72Å; W214-V239 HydrophobicContact CE3-CG1 4.33Å; W214-V239 HydrophobicContact CG-CG1 3.62Å; L223-V239 HydrophobicContact CD2-CG1 4.12Å; L223-V239 HydrophobicContact CD2-CG2 4.34Å; L227-V239 HydrophobicContact CD1-CB 4.48Å; L227-V239 HydrophobicContact CD1-CG2 4.06Å; V239-L252 HydrophobicContact CB-CB 3.97Å; V239-L252 HydrophobicContact CB-CD2 4.29Å; V239-L252 HydrophobicContact CG1-CB 3.81Å; V239-L252 HydrophobicContact CG1-CD2 3.69Å; V239-L252 HydrophobicContact CG1-CG 4.39Å; V239-L252 WeakPolarHBondContact O-CB 3.48Å; V239-L252 PolarHBondContact O-N 2.88Å
240	V	87.3	Confident	81	Confident	40 Å²	40	50.9 Å²	50.9	24%	0.242	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-94.9	126.2	-180	-176.6	0	0	0	0	109.9	R238 E242 N250	R238-V240 HydrophobicContact CB-CG2 4.26Å; V240-E242 PolarHBondContact O-N 3.33Å; V240-N250 WeakPolarHBondContact CA-O 3.43Å
241	C	90.1	Very high	81.1	Confident	2 Å²	2	50 Å²	50	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	127.1	177.8	-56.8	0	0	0	0	111.4	C216 L247 Q248 G249 N250	C216-C241 HydrophobicContact CB-CB 3.72Å; C216-C241 WeakPolarHBondContact CB-SG 3.38Å; C216-C241 WeakPolarHBondContact SG-CA 3.37Å; C216-C241 WeakPolarHBondContact SG-CB 3.48Å; C216-C241 CovalentContact SG-SG 2.02Å; C216-C241 PolarHBondContact SG-SG 3.25Å; C241-L247 HydrophobicContact CB-CB 4.32Å; C241-L247 VanDerWaalsContact CB-O 3.3Å; C241-L247 WeakPolarHBondContact CB-O 3.44Å; C241-Q248 CarbonylContact O-C 3Å; C241-Q248 VanDerWaalsContact O-CA 3.3Å; C241-Q248 WeakPolarHBondContact O-CA 3.38Å; C241-G249 PolarHBondContact O-N 2.79Å; C241-N250 PolarHBondContact N-O 2.79Å; C241-N250 PolarHBondContact SG-O 3.13Å; C241-N250 VanDerWaalsContact SG-O 3.35Å
242	E	90.3	Very high	81.7	Confident	104 Å²	104	46.9 Å²	46.9	49%	0.486	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-35.8	164.8	-167.6	179.8	143.9	0	0	110.9	P213 W214 V240 Q248	P213-E242 WeakPolarHBondContact CA-OE2 3.08Å; P213-E242 HydrophobicContact CB-CB 4.39Å; P213-E242 WeakPolarHBondContact CB-OE2 3.06Å; W214-E242 PolarHBondContact O-N 3.31Å; V240-E242 PolarHBondContact O-N 3.33Å; E242-Q248 WeakPolarHBondContact O-CB 3.39Å; E242-Q248 WeakPolarHBondContact O-CG 3.48Å
243	A	87.5	Confident	82.4	Confident	33 Å²	33	40.4 Å²	40.4	27%	0.273	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	160.1	175.2	0	0	0	0	0	111.3	W214 D215 C216	W214-A243 PolarHBondContact O-N 3.32Å; D215-A243 HydrophobicContact CB-CB 4.2Å; D215-A243 WeakPolarHBondContact OD1-CB 3.48Å; C216-A243 WeakPolarHBondContact CB-O 3.02Å; C216-A243 PolarHBondContact N-O 3.02Å
244	P	90.1	Very high	82.6	Confident	54 Å²	54	35.3 Å²	35.3	35%	0.351	19%	0.187	S	C	.	.	S	Bend	cis	-67.3	164.9	-18.1	31.6	-36.4	0	0	0	111.3	C216 R246 L247 Q248	C216-P244 VanDerWaalsContact O-CD 3.24Å; C216-P244 WeakPolarHBondContact O-CD 3.4Å; P244-R246 PolarHBondContact O-N 3.2Å; P244-L247 PolarHBondContact O-N 3.13Å; P244-Q248 PolarHBondContact O-N 3.31Å; P244-Q248 VanDerWaalsContact O-N 3.08Å
245	T	85.1	Confident	82.8	Confident	127 Å²	127	35.2 Å²	35.2	78%	0.779	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.8	-177.5	58.2	0	0	0	0	115	L247	T245-L247 VanDerWaalsContact C-N 3.33Å
246	R	85	Confident	83.2	Confident	137 Å²	137	37.8 Å²	37.8	52%	0.517	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-28.6	171.8	-164	-169.6	71.9	77.9	-4.8	112.8	P244 E259	P244-R246 PolarHBondContact O-N 3.2Å; R246-E259 IonicContact CZ-OE1 3.98Å; R246-E259 IonicContact NH1-OE1 3.54Å; R246-E259 PolarHBondContact NH1-OE1 3.04Å; R246-E259 VanDerWaalsContact NH2-CA 3.26Å; R246-E259 PolarHBondContact NH2-O 3.23Å; R246-E259 IonicContact NH2-OE1 3.1Å
247	L	85.4	Confident	83.3	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-6	-177.1	-68.4	179.7	0	0	0	113.8	C216 C241 P244 T245 G249 N250 T255 E259 L260	C216-L247 HydrophobicContact CB-CB 4.39Å; C216-L247 HydrophobicContact CB-CD1 4.03Å; C216-L247 WeakPolarHBondContact O-CD1 3.41Å; C241-L247 HydrophobicContact CB-CB 4.32Å; C241-L247 VanDerWaalsContact CB-O 3.3Å; C241-L247 WeakPolarHBondContact CB-O 3.44Å; P244-L247 PolarHBondContact O-N 3.13Å; T245-L247 VanDerWaalsContact C-N 3.33Å; L247-G249 PolarHBondContact O-N 2.91Å; L247-N250 WeakPolarHBondContact CA-ND2 3.27Å; L247-N250 WeakPolarHBondContact CD2-ND2 3.37Å; L247-N250 VanDerWaalsContact O-CB 3.24Å; L247-N250 WeakPolarHBondContact O-CB 3.44Å; L247-N250 PolarHBondContact O-N 3.08Å; L247-N250 PolarHBondContact O-ND2 2.81Å; L247-N250 VanDerWaalsContact O-ND2 3.16Å; L247-T255 HydrophobicContact CD1-CG2 4.43Å; L247-T255 HydrophobicContact CD2-CG2 4.22Å; L247-E259 HydrophobicContact CD2-CB 4.36Å; L247-L260 HydrophobicContact CD1-CD2 4.05Å
248	Q	82.6	Confident	83.7	Confident	113 Å²	113	43.7 Å²	43.7	53%	0.528	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	129.3	178.3	-173.5	171.1	16.2	0	0	112.8	C241 E242 P244 N250	C241-Q248 CarbonylContact O-C 3Å; C241-Q248 VanDerWaalsContact O-CA 3.3Å; C241-Q248 WeakPolarHBondContact O-CA 3.38Å; E242-Q248 WeakPolarHBondContact O-CB 3.39Å; E242-Q248 WeakPolarHBondContact O-CG 3.48Å; P244-Q248 PolarHBondContact O-N 3.31Å; P244-Q248 VanDerWaalsContact O-N 3.08Å; Q248-N250 VanDerWaalsContact C-N 3.32Å
249	G	76.5	Confident	84	Confident	6 Å²	6	45 Å²	45	6%	0.062	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-9	-177.1	0	0	0	0	0	115.3	C241 L247 N362	C241-G249 PolarHBondContact O-N 2.79Å; L247-G249 PolarHBondContact O-N 2.91Å; G249-N362 VanDerWaalsContact C-ND2 3.32Å; G249-N362 PolarHBondContact O-ND2 2.98Å
250	N	77.8	Confident	83.9	Confident	13 Å²	13	45.2 Å²	45.2	7%	0.07	25%	0.245	C	C	.	.			trans	-77.7	148.9	175	-62.9	-36.7	0	0	0	111.3	V240 C241 L247 Q248 T255 K351 N362	V240-N250 WeakPolarHBondContact CA-O 3.43Å; C241-N250 PolarHBondContact N-O 2.79Å; C241-N250 PolarHBondContact SG-O 3.13Å; C241-N250 VanDerWaalsContact SG-O 3.35Å; L247-N250 WeakPolarHBondContact CA-ND2 3.27Å; L247-N250 WeakPolarHBondContact CD2-ND2 3.37Å; L247-N250 VanDerWaalsContact O-CB 3.24Å; L247-N250 WeakPolarHBondContact O-CB 3.44Å; L247-N250 PolarHBondContact O-N 3.08Å; L247-N250 PolarHBondContact O-ND2 2.81Å; L247-N250 VanDerWaalsContact O-ND2 3.16Å; Q248-N250 VanDerWaalsContact C-N 3.32Å; N250-T255 HydrophobicContact CB-CG2 4.17Å; N250-K351 PolarHBondContact ND2-NZ 2.93Å; N250-N362 PolarHBondContact OD1-ND2 3.27Å
251	D	80.5	Confident	83.9	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-77.9	141.4	169	-152	-65	0	0	0	110.7	R238 N253 E254 T255	R238-D251 IonicContact CZ-OD2 3.25Å; R238-D251 VanDerWaalsContact CZ-OD2 3.24Å; R238-D251 IonicContact NE-OD2 3.02Å; R238-D251 PolarHBondContact NE-OD2 3.02Å; R238-D251 IonicContact NH2-OD2 3.73Å; R238-D251 PolarHBondContact NH2-OD2 3.05Å; D251-N253 VanDerWaalsContact C-N 3.28Å; D251-N253 PolarHBondContact O-N 2.02Å; D251-N253 PolarHBondContact OD1-N 3.2Å; D251-E254 HydrophobicContact CB-CB 4.25Å; D251-E254 HydrophobicContact CB-CG 3.9Å; D251-E254 WeakPolarHBondContact O-CB 3.37Å; D251-E254 PolarHBondContact O-N 3.35Å; D251-E254 VanDerWaalsContact O-N 3.1Å; D251-T255 PolarHBondContact O-N 2.82Å
252	L	86.6	Confident	83.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-59.8	-39.6	178.6	-178	58.3	0	0	0	111.6	L220 L223 K224 L227 V239 E254 T255 L260	L220-L252 HydrophobicContact CD2-CD1 3.85Å; L220-L252 HydrophobicContact CD2-CD2 3.85Å; L220-L252 HydrophobicContact CD2-CG 4.42Å; L220-L252 HydrophobicContact CG-CD1 4.17Å; L220-L252 HydrophobicContact CG-CD2 3.81Å; L223-L252 HydrophobicContact CB-CD2 4.26Å; L223-L252 HydrophobicContact CD2-CD2 3.91Å; L223-L252 HydrophobicContact CG-CD2 3.97Å; K224-L252 HydrophobicContact CB-CD1 4.04Å; K224-L252 HydrophobicContact CB-CD2 4.1Å; K224-L252 HydrophobicContact CB-CG 3.88Å; K224-L252 WeakPolarHBondContact CE-O 3.37Å; K224-L252 HydrophobicContact CG-CD1 4.34Å; K224-L252 HydrophobicContact CG-CG 4.06Å; L227-L252 HydrophobicContact CD1-CD2 3.94Å; V239-L252 HydrophobicContact CB-CB 3.97Å; V239-L252 HydrophobicContact CB-CD2 4.29Å; V239-L252 HydrophobicContact CG1-CB 3.81Å; V239-L252 HydrophobicContact CG1-CD2 3.69Å; V239-L252 HydrophobicContact CG1-CG 4.39Å; V239-L252 WeakPolarHBondContact O-CB 3.48Å; V239-L252 PolarHBondContact O-N 2.88Å; L252-E254 PolarHBondContact O-N 3.15Å; L252-T255 PolarHBondContact O-N 2.96Å; L252-T255 VanDerWaalsContact O-N 3.08Å; L252-T255 PolarHBondContact O-OG1 2.78Å; L252-L260 HydrophobicContact CD1-CD1 4.01Å; L252-L260 HydrophobicContact CD1-CD2 4.16Å
253	N	79.7	Confident	82.3	Confident	45 Å²	45	47.5 Å²	47.5	24%	0.241	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-65.1	-24.3	178	-74.2	-8.6	0	0	0	113	D251 V353	D251-N253 VanDerWaalsContact C-N 3.28Å; D251-N253 PolarHBondContact O-N 2.02Å; D251-N253 PolarHBondContact OD1-N 3.2Å; N253-V353 HydrophobicContact CB-CG1 3.94Å
254	E	73.2	Confident	80.9	Confident	7 Å²	7	53.1 Å²	53.1	3%	0.033	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-84.3	-19.5	174.9	-67.4	-176.8	156.6	0	0	113.1	D251 L252 K351 V353 G360 V361	D251-E254 HydrophobicContact CB-CB 4.25Å; D251-E254 HydrophobicContact CB-CG 3.9Å; D251-E254 WeakPolarHBondContact O-CB 3.37Å; D251-E254 PolarHBondContact O-N 3.35Å; D251-E254 VanDerWaalsContact O-N 3.1Å; L252-E254 PolarHBondContact O-N 3.15Å; E254-K351 HydrophobicContact CB-CB 4.25Å; E254-K351 HydrophobicContact CB-CD 4.35Å; E254-K351 WeakPolarHBondContact O-CB 3.31Å; E254-K351 WeakPolarHBondContact O-CD 3.32Å; E254-V353 HydrophobicContact CG-CG1 4.47Å; E254-V353 HydrophobicContact CG-CG2 4.03Å; E254-G360 WeakPolarHBondContact OE1-CA 3.3Å; E254-V361 PolarHBondContact OE1-N 3.47Å
255	T	80.8	Confident	78.9	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	30%	0.304	C	S	.	.	S	Bend	trans	-77.2	141.5	-177.6	60.9	0	0	0	0	112.7	K224 L247 N250 D251 L252	K224-T255 WeakPolarHBondContact CE-O 3.34Å; K224-T255 PolarHBondContact NZ-O 3.27Å; L247-T255 HydrophobicContact CD1-CG2 4.43Å; L247-T255 HydrophobicContact CD2-CG2 4.22Å; N250-T255 HydrophobicContact CB-CG2 4.17Å; D251-T255 PolarHBondContact O-N 2.82Å; L252-T255 PolarHBondContact O-N 2.96Å; L252-T255 VanDerWaalsContact O-N 3.08Å; L252-T255 PolarHBondContact O-OG1 2.78Å
256	S	82.6	Confident	77	Confident	53 Å²	53	51.7 Å²	51.7	37%	0.371	30%	0.3	S	S	.	.			trans	-84.9	154.7	171.8	77.5	0	0	0	0	111.5	A258 E259 L260	S256-A258 VanDerWaalsContact C-N 3.27Å; S256-A258 PolarHBondContact O-N 3.4Å; S256-E259 WeakPolarHBondContact O-CA 3.31Å; S256-E259 WeakPolarHBondContact O-CB 3.18Å; S256-E259 PolarHBondContact O-N 3.3Å; S256-E259 WeakPolarHBondContact OG-CG 3.48Å; S256-E259 PolarHBondContact OG-N 3.01Å; S256-L260 PolarHBondContact O-N 3.1Å; S256-L260 VanDerWaalsContact O-N 3.16Å
257	E	84.7	Confident	74.9	Confident	111 Å²	111	48.7 Å²	48.7	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-59	-40.7	178.2	-55.2	173.8	-169.1	0	0	111.4	L221 E259 L260 C261	L221-E257 HydrophobicContact CD1-CB 4.25Å; L221-E257 HydrophobicContact CD1-CG 3.76Å; E257-E259 PolarHBondContact O-N 3.25Å; E257-L260 PolarHBondContact O-N 3.1Å; E257-C261 WeakPolarHBondContact O-CA 3.26Å; E257-C261 WeakPolarHBondContact O-CB 3.26Å; E257-C261 PolarHBondContact O-N 2.86Å
258	A	83.6	Confident	72.8	Confident	44 Å²	44	52.7 Å²	52.7	36%	0.364	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-24.7	174.8	0	0	0	0	0	113.5	S256 C261 P262 S265	S256-A258 VanDerWaalsContact C-N 3.27Å; S256-A258 PolarHBondContact O-N 3.4Å; A258-C261 CarbonylContact O-C 3.48Å; A258-P262 WeakPolarHBondContact O-CA 3.23Å; A258-S265 WeakPolarHBondContact CB-OG 3.17Å
259	E	85.7	Confident	70.5	Confident	47 Å²	47	54.4 Å²	54.4	22%	0.22	37%	0.365	C	S	.	.	H	α-helix	trans	-79.3	-35.9	175.5	-81.9	-164.5	120.6	0	0	113.1	R246 L247 S256 E257 K351	R246-E259 IonicContact CZ-OE1 3.98Å; R246-E259 IonicContact NH1-OE1 3.54Å; R246-E259 PolarHBondContact NH1-OE1 3.04Å; R246-E259 VanDerWaalsContact NH2-CA 3.26Å; R246-E259 PolarHBondContact NH2-O 3.23Å; R246-E259 IonicContact NH2-OE1 3.1Å; L247-E259 HydrophobicContact CD2-CB 4.36Å; S256-E259 WeakPolarHBondContact O-CA 3.31Å; S256-E259 WeakPolarHBondContact O-CB 3.18Å; S256-E259 PolarHBondContact O-N 3.3Å; S256-E259 WeakPolarHBondContact OG-CG 3.48Å; S256-E259 PolarHBondContact OG-N 3.01Å; E257-E259 PolarHBondContact O-N 3.25Å; E259-K351 IonicContact OE1-NZ 2.77Å; E259-K351 PolarHBondContact OE1-NZ 2.76Å; E259-K351 WeakPolarHBondContact OE2-CE 3.49Å; E259-K351 IonicContact OE2-NZ 3.24Å; E259-K351 PolarHBondContact OE2-NZ 3.32Å
260	L	86.9	Confident	69	Low	7 Å²	7	60.2 Å²	60.2	4%	0.037	41%	0.405	C	S	.	.	H	α-helix	trans	-74.5	-39.1	172.9	-61.9	172.1	0	0	0	111.3	C216 N217 C218 L221 K224 L247 L252 S256 E257 P262	C216-L260 HydrophobicContact CB-CD2 3.61Å; C216-L260 WeakPolarHBondContact O-CD2 3.21Å; N217-L260 CarbonylContact C-O 3.41Å; C218-L260 PolarHBondContact N-O 3.44Å; L221-L260 HydrophobicContact CD1-CD1 4.48Å; K224-L260 HydrophobicContact CD-CD1 4.17Å; L247-L260 HydrophobicContact CD1-CD2 4.05Å; L252-L260 HydrophobicContact CD1-CD1 4.01Å; L252-L260 HydrophobicContact CD1-CD2 4.16Å; S256-L260 PolarHBondContact O-N 3.1Å; S256-L260 VanDerWaalsContact O-N 3.16Å; E257-L260 PolarHBondContact O-N 3.1Å; L260-P262 VanDerWaalsContact C-CD 3.49Å; L260-P262 WeakPolarHBondContact O-CD 3.21Å
261	C	88.3	Confident	67.5	Low	3 Å²	3	63.8 Å²	63.8	2%	0.02	43%	0.431	C	S	.	.			trans	-122.3	68.2	-176.9	-75.2	0	0	0	0	113.6	C218 E257 A258 S263 Q264	C218-C261 WeakPolarHBondContact CA-SG 3.17Å; C218-C261 HydrophobicContact CB-CB 4.47Å; C218-C261 WeakPolarHBondContact CB-SG 3.41Å; C218-C261 WeakPolarHBondContact SG-CA 3.36Å; C218-C261 WeakPolarHBondContact SG-CB 3.43Å; C218-C261 CovalentContact SG-SG 2.04Å; C218-C261 PolarHBondContact SG-SG 2.02Å; E257-C261 WeakPolarHBondContact O-CA 3.26Å; E257-C261 WeakPolarHBondContact O-CB 3.26Å; E257-C261 PolarHBondContact O-N 2.86Å; A258-C261 CarbonylContact O-C 3.48Å; C261-S263 PolarHBondContact O-N 3.35Å; C261-S263 VanDerWaalsContact O-N 3.08Å; C261-Q264 HydrophobicContact CB-CB 4.43Å; C261-Q264 HydrophobicContact CB-CG 4.41Å; C261-Q264 PolarHBondContact O-N 2.87Å; C261-Q264 VanDerWaalsContact O-N 3.14Å
262	P	79.6	Confident	65.6	Low	92 Å²	92	71.9 Å²	71.9	60%	0.597	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.3	177.4	25.7	-35	0	0	0	113.6	A258 L260	A258-P262 WeakPolarHBondContact O-CA 3.23Å; L260-P262 VanDerWaalsContact C-CD 3.49Å; L260-P262 WeakPolarHBondContact O-CD 3.21Å
263	S	67.1	Low	63	Low	99 Å²	99	76.2 Å²	76.2	69%	0.692	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.5	178.6	39.7	0	0	0	0	115	C261	C261-S263 PolarHBondContact O-N 3.35Å; C261-S263 VanDerWaalsContact O-N 3.08Å
264	Q	58.3	Low	60.9	Low	150 Å²	150	78.5 Å²	78.5	70%	0.701	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-26.1	174.3	-70.3	-170.2	-2.1	0	0	113.1	C261 G266	C261-Q264 HydrophobicContact CB-CB 4.43Å; C261-Q264 HydrophobicContact CB-CG 4.41Å; C261-Q264 PolarHBondContact O-N 2.87Å; C261-Q264 VanDerWaalsContact O-N 3.14Å; Q264-G266 VanDerWaalsContact C-N 3.26Å; Q264-G266 PolarHBondContact O-N 2.81Å
265	S	47.2	Very low	59.1	Low	86 Å²	86	83.8 Å²	83.8	60%	0.601	57%	0.569	S	S	*	*	S	Bend	trans	-85.6	17.3	-179.1	-54	0	0	0	0	114.9	A258	A258-S265 WeakPolarHBondContact CB-OG 3.17Å
266	G	45.9	Very low	56.9	Low	66 Å²	66	89.8 Å²	89.8	68%	0.68	61%	0.608	S	S	*	*	S	Bend	trans	-149.2	77.2	-179.8	0	0	0	0	0	113	Q264	Q264-G266 VanDerWaalsContact C-N 3.26Å; Q264-G266 PolarHBondContact O-N 2.81Å
267	G	40	Very low	54.6	Low	73 Å²	73	93.7 Å²	93.7	75%	0.753	63%	0.63	S	S	*	*			trans	168	22.8	177.6	0	0	0	0	0	117.2	D269	G267-D269 VanDerWaalsContact C-N 3.3Å; G267-D269 PolarHBondContact O-N 2.99Å
268	G	40.9	Very low	52.1	Low	86 Å²	86	97.7 Å²	97.7	89%	0.887	65%	0.649	S	S	*	*			trans	-88.4	25.9	179.7	0	0	0	0	0	115
269	D	34.9	Very low	49.4	Very low	148 Å²	148	104.2 Å²	104.2	79%	0.791	67%	0.672	S	S	*	*			trans	-135.6	111.1	-178.9	-131	-18	0	0	0	110.9	G267 S271	G267-D269 VanDerWaalsContact C-N 3.3Å; G267-D269 PolarHBondContact O-N 2.99Å; D269-S271 PolarHBondContact O-N 2.94Å; D269-S271 VanDerWaalsContact O-N 3.12Å
270	S	45.5	Very low	46.7	Very low	128 Å²	128	111 Å²	111	90%	0.895	70%	0.704	S	S	*	*			trans	-84.3	81.5	-175.9	-72.4	0	0	0	0	111.7
271	S	45	Very low	43.9	Very low	89 Å²	89	116.9 Å²	116.9	62%	0.622	74%	0.74	S	S	*	*			trans	-154.5	124.1	161.2	60.3	0	0	0	0	114.6	D269	D269-S271 PolarHBondContact O-N 2.94Å; D269-S271 VanDerWaalsContact O-N 3.12Å
272	L	41.6	Very low	40.9	Very low	173 Å²	173	122.8 Å²	122.8	91%	0.906	78%	0.781	S	S	*	*			trans	68.2	135.5	158.4	-53.8	167	0	0	0	116.9
273	A	32.8	Very low	38.3	Very low	91 Å²	91	129.7 Å²	129.7	75%	0.752	80%	0.795	S	S	*	*			cis	-151.2	155.7	-4.2	0	0	0	0	0	110.5
274	A	33.9	Very low	36.9	Very low	94 Å²	94	130.4 Å²	130.4	78%	0.777	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-77.2	145.4	179.2	0	0	0	0	0	112.6
275	P	35.6	Very low	35.5	Very low	117 Å²	117	129.3 Å²	129.3	76%	0.76	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-75.6	144.8	165.1	30.9	-30.5	0	0	0	110.5
276	P	36.1	Very low	35.5	Very low	128 Å²	128	130 Å²	130	83%	0.831	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-74.7	142.4	-178.7	30.4	-34.5	0	0	0	112.3
277	T	33	Very low	34.6	Very low	135 Å²	135	137.8 Å²	137.8	83%	0.828	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-75.2	142.9	173.5	39.4	0	0	0	0	112.4
278	Q	31.7	Very low	34.1	Very low	195 Å²	195	143.6 Å²	143.6	91%	0.911	82%	0.819	S	S	*	*			trans	-144.3	112.6	148	-74.7	-159.8	-21	0	0	110.5
279	E	28.8	Very low	34	Very low	182 Å²	182	145.2 Å²	145.2	85%	0.85	81%	0.814	S	S	*	*			trans	-82.6	149.2	149.3	-62.4	178.7	124.3	0	0	106.7
280	E	27.7	Very low	33.8	Very low	189 Å²	189	142.7 Å²	142.7	88%	0.883	81%	0.808	S	S	*	*				-169.7	168.8	75.9	-89.6	-169.1	141.7	0	0	112.8
281	T	28.6	Very low	33.1	Very low	131 Å²	131	147 Å²	147	80%	0.804	80%	0.804	S	S	*	*			trans	-81.3	151.2	-174	49.9	0	0	0	0	116.5
282	S	24.6	Very low	32.6	Very low	126 Å²	126	149.4 Å²	149.4	88%	0.881	81%	0.81	S	S	*	*				-177.8	151.7	126.5	37	0	0	0	0	115.5
283	R	26	Very low	32	Very low	238 Å²	238	145 Å²	145	90%	0.898	81%	0.807	S	S	*	*			trans	-102.8	178	169.6	-83.2	-176.5	174.8	-176.4	0.8	109.2
284	P	37.9	Very low	31.8	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	81%	0.81	S	S	*	*			cis	-138	-178.4	9.6	29.7	-4	0	0	0	118.3
285	T	29.1	Very low	31.6	Very low	126 Å²	126	144.2 Å²	144.2	77%	0.773	82%	0.817	S	S	*	*			trans	-44	-176	168.1	61.1	0	0	0	0	119.2
286	P	45.9	Very low	31.4	Very low	101 Å²	101	142.4 Å²	142.4	66%	0.656	82%	0.819	S	S	*	*			cis	-135.7	177.6	-6.2	28.4	-5.4	0	0	0	116
287	Y	26.8	Very low	31.8	Very low	229 Å²	229	142.2 Å²	142.2	90%	0.898	82%	0.818	S	S	*	*				-177.3	146.9	123.8	-103.8	-74.7	0	0	0	112.7
288	K	29	Very low	32.5	Very low	195 Å²	195	140.6 Å²	140.6	85%	0.848	81%	0.809	S	S	*	*			trans	-119.5	170.9	172.4	-93.3	-177	179.5	178.8	0	107.8
289	P	40.7	Very low	32.4	Very low	121 Å²	121	137.4 Å²	137.4	79%	0.786	80%	0.803	S	S	*	*			cis	-138.1	-161.3	32.2	37.4	-12.4	0	0	0	113.1
290	S	30.1	Very low	33.2	Very low	95 Å²	95	134.4 Å²	134.4	66%	0.664	80%	0.8	S	S	*	*			cis	-166.6	146.8	21.9	-160.9	0	0	0	0	114.1
291	R	31.5	Very low	33.1	Very low	218 Å²	218	129.2 Å²	129.2	82%	0.823	80%	0.797	S	S	*	*			trans	33.4	151.1	140.4	-66.2	-176.3	147.4	169.6	-6.2	122
292	N	32.5	Very low	33.2	Very low	140 Å²	140	128.1 Å²	128.1	75%	0.749	80%	0.801	S	S	*	*			cis	-160.6	161.4	1.4	-116	4.6	0	0	0	110.5
293	G	29.6	Very low	33.4	Very low	80 Å²	80	130.6 Å²	130.6	83%	0.825	81%	0.805	S	S	*	*			trans	-74.7	-161.1	176.6	0	0	0	0	0	116.9
294	G	30	Very low	33.5	Very low	80 Å²	80	123.3 Å²	123.3	83%	0.825	80%	0.803	S	S	*	*			cis	174	171.6	-2.3	0	0	0	0	0	112.6
295	G	29.7	Very low	33	Very low	89 Å²	89	122.8 Å²	122.8	92%	0.918	80%	0.803	S	S	*	*			trans	93.2	131.5	161.5	0	0	0	0	0	120.1
296	G	30.3	Very low	33	Very low	78 Å²	78	126.1 Å²	126.1	80%	0.804	81%	0.806	S	S	*	*			trans	115.1	120.3	152.7	0	0	0	0	0	119.4
297	P	44.8	Very low	32.2	Very low	124 Å²	124	125.3 Å²	125.3	81%	0.805	80%	0.803	S	S	*	*			trans	-104.9	-166.8	164.5	43.8	-35.5	0	0	0	111
298	P	47.8	Very low	32.3	Very low	101 Å²	101	122.4 Å²	122.4	66%	0.656	80%	0.797	S	S	*	*			cis	-136.8	173.2	-6.1	39	-20	0	0	0	117.5
299	T	29.2	Very low	32.2	Very low	128 Å²	128	117.7 Å²	117.7	79%	0.785	79%	0.789	S	S	*	*			trans	63.8	167.4	149.6	46.5	0	0	0	0	121.8
300	P	45.6	Very low	31.4	Very low	119 Å²	119	121.7 Å²	121.7	77%	0.773	79%	0.794	S	S	*	*			cis	-137.8	160.9	-34.2	35.3	-17.9	0	0	0	116.5
301	G	26.1	Very low	31	Very low	81 Å²	81	122.1 Å²	122.1	84%	0.835	80%	0.797	S	S	*	*			trans	82	130.1	133.7	0	0	0	0	0	122.3
302	A	29.7	Very low	31.5	Very low	107 Å²	107	117 Å²	117	88%	0.884	79%	0.792	S	S	*	*			trans	-171.3	132.2	136.2	0	0	0	0	0	112.1
303	N	29.4	Very low	31.2	Very low	179 Å²	179	119.6 Å²	119.6	96%	0.957	80%	0.8	S	S	*	*			trans	-92.1	152.6	168.1	-95.1	-26.3	0	0	0	110.6
304	G	27.2	Very low	31.1	Very low	84 Å²	84	122.6 Å²	122.6	87%	0.866	80%	0.797	S	S	*	*			trans	-168.5	121.5	169.8	0	0	0	0	0	113.3
305	S	28.8	Very low	30.9	Very low	104 Å²	104	129.1 Å²	129.1	73%	0.727	80%	0.797	S	S	*	*			trans	-121.3	171.8	-173.7	58.6	0	0	0	0	112.9
306	K	29.5	Very low	30.7	Very low	195 Å²	195	132.3 Å²	132.3	85%	0.848	79%	0.788	S	S	*	*			trans	92.8	149.4	171.7	-58.4	176.2	-179.8	179.4	0	115.8
307	S	27.4	Very low	30.5	Very low	84 Å²	84	137.1 Å²	137.1	59%	0.587	79%	0.794	S	S	*	*			cis	-179.5	170.6	-14	50.9	0	0	0	0	111.6
308	H	29.8	Very low	29.6	Very low	168 Å²	168	140 Å²	140	78%	0.778	79%	0.794	S	S	*	*			trans	75.9	117.6	164.6	-62.9	-59.2	0	0	0	116.9
309	S	26.6	Very low	28.5	Very low	97 Å²	97	140.9 Å²	140.9	68%	0.678	80%	0.798	S	S	*	*				79.9	133.6	61.4	79.8	0	0	0	0	114.1
310	K	23.2	Very low	28.3	Very low	204 Å²	204	144.2 Å²	144.2	89%	0.887	80%	0.801	S	S	*	*				-156.2	-170.9	57.6	-109.4	175.2	-175.8	175	0	114.9
311	S	23.2	Very low	27.8	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	80%	0.801	S	S	*	*			trans	-98.4	-163.1	176.9	60.2	0	0	0	0	112.6
312	P	41.3	Very low	28.6	Very low	112 Å²	112	145.5 Å²	145.5	73%	0.727	80%	0.795	S	S	*	*			cis	-137	176.2	-13.9	39.8	-22.7	0	0	0	115.7
313	E	27.2	Very low	28.7	Very low	193 Å²	193	146.5 Å²	146.5	90%	0.902	79%	0.793	S	S	*	*				-167.6	167.4	128.1	-113.1	179.3	-168	0	0	113.7
314	N	26	Very low	28.6	Very low	143 Å²	143	144 Å²	144	77%	0.765	78%	0.783	S	S	*	*			trans	-95.6	154.2	-160.5	-75.5	-53	0	0	0	115.7
315	W	26.1	Very low	28.5	Very low	218 Å²	218	148.4 Å²	148.4	83%	0.826	78%	0.784	S	S	*	*				-175.4	115.4	108.1	-93.2	106.7	0	0	0	114
316	Q	25.8	Very low	28.3	Very low	155 Å²	155	148.3 Å²	148.3	72%	0.724	79%	0.789	S	S	*	*			trans	7.5	140.5	157.8	-57.3	-179.3	0.4	0	0	123.7
317	L	26.9	Very low	28.1	Very low	179 Å²	179	142.5 Å²	142.5	94%	0.937	78%	0.784	S	S	*	*			trans	-147.8	150.2	142.3	-117.5	132.9	0	0	0	111.7
318	K	24.2	Very low	28.1	Very low	184 Å²	184	143 Å²	143	80%	0.8	79%	0.794	S	S	*	*			trans	-131.7	129.4	-169.4	-106.1	-177.3	176.8	178.9	0	112.9
319	T	26.5	Very low	27.8	Very low	120 Å²	120	143.1 Å²	143.1	74%	0.736	80%	0.8	S	S	*	*			trans	47.1	116.6	141.9	58.8	0	0	0	0	123.7
320	K	23.9	Very low	28.2	Very low	199 Å²	199	144.4 Å²	144.4	87%	0.865	80%	0.804	S	S	*	*			trans	49.2	160.9	131.5	-78.8	-171.9	174	-176.9	0	122.1
321	P	35.3	Very low	28.3	Very low	119 Å²	119	143.1 Å²	143.1	77%	0.773	81%	0.806	S	S	*	*			cis	-130.5	-135.6	-37.2	37.1	-13.8	0	0	0	112.8
322	P	42.7	Very low	28.6	Very low	107 Å²	107	141.4 Å²	141.4	70%	0.695	81%	0.805	S	S	*	*				-101.7	-176.3	-128.9	45.7	-33	0	0	0	117
323	P	31.8	Very low	27.9	Very low	129 Å²	129	144.3 Å²	144.3	84%	0.838	81%	0.814	S	S	*	*			trans	-129.4	178.1	151.5	39.1	-26.5	0	0	0	115.2
324	V	26.9	Very low	28	Very low	125 Å²	125	138.4 Å²	138.4	76%	0.758	81%	0.806	S	S	*	*			trans	-136.7	149.6	-166.3	167.8	0	0	0	0	111.1
325	M	25.3	Very low	28.1	Very low	178 Å²	178	135.6 Å²	135.6	88%	0.877	81%	0.811	S	S	*	*			trans	74.2	130.7	158.7	-89.2	179.6	-176.6	0	0	123.9
326	A	25.5	Very low	28.4	Very low	101 Å²	101	128.9 Å²	128.9	84%	0.835	81%	0.809	S	S	*	*				81.8	147.4	126.6	0	0	0	0	0	122.8
327	G	24.1	Very low	28.7	Very low	73 Å²	73	129.7 Å²	129.7	75%	0.753	81%	0.812	S	S	*	*			trans	95.1	85.2	176.3	0	0	0	0	0	112.5
328	A	27.2	Very low	29.3	Very low	95 Å²	95	128.1 Å²	128.1	79%	0.785	80%	0.8	S	S	*	*				64.8	108.7	63.3	0	0	0	0	0	113.7
329	D	23.5	Very low	29.9	Very low	171 Å²	171	124.6 Å²	124.6	91%	0.914	79%	0.79	S	S	*	*			trans	-146.2	138	131.8	-109.5	-28.3	0	0	0	109.8
330	V	34.7	Very low	30.5	Very low	124 Å²	124	130.4 Å²	130.4	75%	0.752	80%	0.798	S	S	*	*			trans	-123.7	132.6	-178.4	168.5	0	0	0	0	106.9
331	N	26.9	Very low	31.7	Very low	176 Å²	176	127.9 Å²	127.9	94%	0.941	79%	0.794	S	S	*	*			trans	-145.6	114.5	146.8	-97	-28.4	0	0	0	107.9
332	G	29	Very low	32.9	Very low	68 Å²	68	125.7 Å²	125.7	70%	0.701	78%	0.778	S	S	*	*			trans	-137.3	165.6	168.9	0	0	0	0	0	108.6
333	D	26.9	Very low	34.3	Very low	173 Å²	173	123.9 Å²	123.9	93%	0.925	77%	0.765	S	S	*	*			trans	-156.3	136.3	169.1	-155.9	28.4	0	0	0	106.9
334	G	28	Very low	36.8	Very low	70 Å²	70	119.4 Å²	119.4	72%	0.722	74%	0.737	S	S	*	*			cis	174.7	122.6	-6.9	0	0	0	0	0	111.7
335	G	28.2	Very low	39.6	Very low	84 Å²	84	113.4 Å²	113.4	87%	0.866	70%	0.7	S	S	*	*			trans	108.8	113.5	177	0	0	0	0	0	113.5
336	G	32.3	Very low	42.3	Very low	76 Å²	76	111.8 Å²	111.8	78%	0.784	69%	0.691	S	S	*	*			cis	98.8	119.8	15.7	0	0	0	0	0	109.5
337	E	33.3	Very low	45.1	Very low	172 Å²	172	110.5 Å²	110.5	80%	0.804	67%	0.674	S	S	*	*			cis	-142.6	147	46.4	-73.8	-167.8	91	0	0	116.8
338	Q	38.2	Very low	48.1	Very low	147 Å²	147	107.3 Å²	107.3	69%	0.687	64%	0.64	S	S	*	*			trans	59.8	104.1	149.1	-62.7	175.7	41.8	0	0	121.3
339	L	37.3	Very low	50.9	Low	110 Å²	110	105.1 Å²	105.1	58%	0.576	62%	0.619	S	S	*	*				-157.6	91.5	112.3	-131.7	79.3	0	0	0	112.1	N341	L339-N341 PolarHBondContact O-N 3.16Å
340	R	40.1	Very low	53.8	Low	242 Å²	242	98.5 Å²	98.5	91%	0.913	59%	0.585	S	S	*	*			trans	-93.9	89.4	175.9	-71.6	-178.8	176.3	177.4	-0.7	110.8
341	N	48.3	Very low	55.9	Low	146 Å²	146	94.3 Å²	94.3	78%	0.781	56%	0.557	S	S	*	*			trans	170.6	44.6	149.7	-88.6	-14.6	0	0	0	113.6	L339 T343	L339-N341 PolarHBondContact O-N 3.16Å; N341-T343 PolarHBondContact O-N 3.18Å; N341-T343 PolarHBondContact O-OG1 2.72Å
342	V	61.6	Low	58.1	Low	73 Å²	73	90.5 Å²	90.5	44%	0.442	54%	0.536	S	S	.	.			trans	-68.9	103.8	169.3	175.6	0	0	0	0	109.3	C344 L352 L359	V342-C344 PolarHBondContact O-N 2.89Å; V342-L352 HydrophobicContact CG2-CD2 4.36Å; V342-L359 HydrophobicContact CG1-CD1 3.36Å; V342-L359 HydrophobicContact CG1-CD2 4.03Å; V342-L359 HydrophobicContact CG1-CG 4.34Å
343	T	72	Confident	59.8	Low	69 Å²	69	87.8 Å²	87.8	42%	0.423	51%	0.506	S	S	.	.			trans	-95.8	85.2	-175.6	22.8	0	0	0	0	110.5	N341 P376	N341-T343 PolarHBondContact O-N 3.18Å; N341-T343 PolarHBondContact O-OG1 2.72Å; T343-P376 HydrophobicContact CG2-CB 4.13Å; T343-P376 HydrophobicContact CG2-CG 3.83Å
344	C	82.5	Confident	61.3	Low	34 Å²	34	81.3 Å²	81.3	23%	0.23	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-78.3	124.1	179.2	-169.8	0	0	0	0	112	V342 C350	V342-C344 PolarHBondContact O-N 2.89Å; C344-C350 WeakPolarHBondContact CA-SG 3.32Å; C344-C350 HydrophobicContact CB-CB 3.71Å; C344-C350 WeakPolarHBondContact CB-SG 3.39Å; C344-C350 WeakPolarHBondContact SG-CB 3.21Å; C344-C350 PolarHBondContact SG-N 3.1Å; C344-C350 CovalentContact SG-SG 2.04Å; C344-C350 PolarHBondContact SG-SG 3.27Å
345	P	86.1	Confident	62.4	Low	0 Å²	0	83.6 Å²	83.6	0%	0	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-65.7	134.8	173.2	24	-31.9	0	0	0	111.5	C348 V361 L374 P376 P378	P345-C348 HydrophobicContact CG-CB 4.16Å; P345-C348 WeakPolarHBondContact O-CA 3.45Å; P345-C348 VanDerWaalsContact O-CB 3.24Å; P345-C348 WeakPolarHBondContact O-CB 3.03Å; P345-C348 PolarHBondContact O-N 3.37Å; P345-V361 HydrophobicContact CG-CG1 4.14Å; P345-L374 HydrophobicContact CB-CB 3.95Å; P345-L374 HydrophobicContact CB-CD2 3.97Å; P345-L374 HydrophobicContact CG-CB 4.25Å; P345-L374 HydrophobicContact CG-CD2 3.95Å; P345-P376 WeakPolarHBondContact CB-O 3.37Å; P345-P378 HydrophobicContact CG-CG 3.93Å
346	Q	82.3	Confident	63.6	Low	144 Å²	144	89.2 Å²	89.2	67%	0.673	48%	0.48	S	S	*	.	B	Isolated β-bridge	trans	-84.6	136.6	165.6	-65.7	-62.6	-72.6	0	0	108.9
347	P	84.8	Confident	65	Low	73 Å²	73	90.9 Å²	90.9	47%	0.474	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	cis	-98.9	27.6	14.6	41.5	-40.2	0	0	0	115.1	K366	P347-K366 HydrophobicContact CG-CB 3.83Å; P347-K366 HydrophobicContact CG-CG 4.16Å
348	C	87.6	Confident	66.8	Low	7 Å²	7	83.3 Å²	83.3	5%	0.047	44%	0.435	C	S	.	.			trans	-83	161.4	-178.6	-48.9	0	0	0	0	112.2	P345 V361 N362 C363	P345-C348 HydrophobicContact CG-CB 4.16Å; P345-C348 WeakPolarHBondContact O-CA 3.45Å; P345-C348 VanDerWaalsContact O-CB 3.24Å; P345-C348 WeakPolarHBondContact O-CB 3.03Å; P345-C348 PolarHBondContact O-N 3.37Å; C348-V361 HydrophobicContact CB-CG1 4.29Å; C348-N362 WeakPolarHBondContact CA-O 3.3Å; C348-N362 VanDerWaalsContact CB-O 3.29Å; C348-N362 WeakPolarHBondContact CB-O 2.98Å; C348-C363 HydrophobicContact CB-CB 4.03Å; C348-C363 WeakPolarHBondContact CB-SG 3.36Å; C348-C363 WeakPolarHBondContact SG-CB 3.43Å; C348-C363 CovalentContact SG-SG 2.03Å; C348-C363 PolarHBondContact SG-SG 3.08Å
349	S	84.7	Confident	68.9	Low	49 Å²	49	76.5 Å²	76.5	34%	0.343	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.1	167.7	45.4	0	0	0	0	109.5	N362	S349-N362 PolarHBondContact N-O 3.1Å; S349-N362 PolarHBondContact O-N 3.09Å; S349-N362 PolarHBondContact OG-O 2.84Å
350	C	86	Confident	71.1	Confident	31 Å²	31	71.2 Å²	71.2	21%	0.209	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.4	179.5	-42.8	0	0	0	0	111.2	C344 L359 G360 V361	C344-C350 WeakPolarHBondContact CA-SG 3.32Å; C344-C350 HydrophobicContact CB-CB 3.71Å; C344-C350 WeakPolarHBondContact CB-SG 3.39Å; C344-C350 WeakPolarHBondContact SG-CB 3.21Å; C344-C350 PolarHBondContact SG-N 3.1Å; C344-C350 CovalentContact SG-SG 2.04Å; C344-C350 PolarHBondContact SG-SG 3.27Å; C350-L359 HydrophobicContact CB-CD1 3.72Å; C350-L359 HydrophobicContact CB-CG 4.39Å; C350-G360 CarbonylContact C-O 3.47Å; C350-G360 WeakPolarHBondContact CA-O 2.95Å; C350-G360 VanDerWaalsContact CB-O 3.31Å; C350-G360 WeakPolarHBondContact CB-O 3.24Å; C350-V361 HydrophobicContact CB-CG2 4.39Å
351	K	76.9	Confident	73.4	Confident	37 Å²	37	59.7 Å²	59.7	16%	0.161	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	165.7	-179	-60.6	-174.9	-171.6	179.1	0	110.1	N250 E254 E259 L359 G360	N250-K351 PolarHBondContact ND2-NZ 2.93Å; E254-K351 HydrophobicContact CB-CB 4.25Å; E254-K351 HydrophobicContact CB-CD 4.35Å; E254-K351 WeakPolarHBondContact O-CB 3.31Å; E254-K351 WeakPolarHBondContact O-CD 3.32Å; E259-K351 IonicContact OE1-NZ 2.77Å; E259-K351 PolarHBondContact OE1-NZ 2.76Å; E259-K351 WeakPolarHBondContact OE2-CE 3.49Å; E259-K351 IonicContact OE2-NZ 3.24Å; E259-K351 PolarHBondContact OE2-NZ 3.32Å; K351-L359 WeakPolarHBondContact O-CD1 3.13Å; K351-G360 PolarHBondContact N-O 3.1Å; K351-G360 PolarHBondContact O-N 2.81Å
352	L	74.8	Confident	75.2	Confident	95 Å²	95	53 Å²	53	50%	0.497	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.1	175.2	-67.8	169.4	0	0	0	109.4	V342 G358	V342-L352 HydrophobicContact CG2-CD2 4.36Å; L352-G358 CarbonylContact C-O 3.1Å; L352-G358 VanDerWaalsContact CA-O 3.27Å; L352-G358 WeakPolarHBondContact CA-O 3.38Å
353	V	63.8	Low	76.6	Confident	11 Å²	11	49.5 Å²	49.5	7%	0.067	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.4	-179.4	-152.7	0	0	0	0	110.2	N253 E254 G358 G360 E383	N253-V353 HydrophobicContact CB-CG1 3.94Å; E254-V353 HydrophobicContact CG-CG1 4.47Å; E254-V353 HydrophobicContact CG-CG2 4.03Å; V353-G358 PolarHBondContact N-O 3.43Å; V353-G360 VanDerWaalsContact CG2-CA 3.42Å; V353-E383 HydrophobicContact CG2-CG 4.31Å
354	G	58.3	Low	77.4	Confident	37 Å²	37	48.6 Å²	48.6	38%	0.381	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	57.6	-176.5	176.2	0	0	0	0	0	115.6	R356	G354-R356 PolarHBondContact O-N 3.46Å
355	S	50.4	Low	77.6	Confident	119 Å²	119	49 Å²	49	83%	0.832	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-70.8	0.6	-176.3	-15.8	0	0	0	0	114.5
356	R	54	Low	77.8	Confident	201 Å²	201	53.4 Å²	53.4	76%	0.758	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-106.4	11.9	-171	-74.5	-171.9	168.7	-138.7	-10.2	115.3	G354 G358	G354-R356 PolarHBondContact O-N 3.46Å; R356-G358 PolarHBondContact O-N 2.81Å
357	Q	62.1	Low	78.2	Confident	112 Å²	112	55 Å²	55	52%	0.523	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	25.3	178.6	-51	178	-18.8	0	0	114.4
358	G	71.5	Confident	78.5	Confident	12 Å²	12	52.4 Å²	52.4	12%	0.124	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	146.6	170.5	0	0	0	0	0	110.3	L352 V353 R356	L352-G358 CarbonylContact C-O 3.1Å; L352-G358 VanDerWaalsContact CA-O 3.27Å; L352-G358 WeakPolarHBondContact CA-O 3.38Å; V353-G358 PolarHBondContact N-O 3.43Å; R356-G358 PolarHBondContact O-N 2.81Å
359	L	81.8	Confident	78.7	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.6	176	-179.9	65.7	0	0	0	110.2	V342 C350 K351 V361 P378 A380 A381 H382 E383	V342-L359 HydrophobicContact CG1-CD1 3.36Å; V342-L359 HydrophobicContact CG1-CD2 4.03Å; V342-L359 HydrophobicContact CG1-CG 4.34Å; C350-L359 HydrophobicContact CB-CD1 3.72Å; C350-L359 HydrophobicContact CB-CG 4.39Å; K351-L359 WeakPolarHBondContact O-CD1 3.13Å; L359-V361 HydrophobicContact CD2-CG2 4.08Å; L359-V361 HydrophobicContact CG-CG2 3.87Å; L359-P378 HydrophobicContact CD2-CB 3.95Å; L359-A380 HydrophobicContact CB-CB 4.33Å; L359-A380 WeakPolarHBondContact CB-O 3.47Å; L359-A380 HydrophobicContact CD2-CB 4.49Å; L359-A380 PolarHBondContact N-O 3.03Å; L359-A381 CarbonylContact O-C 3.33Å; L359-A381 WeakPolarHBondContact O-CA 3.31Å; L359-H382 PolarHBondContact O-N 3.06Å; L359-E383 PolarHBondContact O-N 3.41Å
360	G	84.4	Confident	79	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.6	169.2	0	0	0	0	0	109.5	E254 C350 K351 V353	E254-G360 WeakPolarHBondContact OE1-CA 3.3Å; C350-G360 CarbonylContact C-O 3.47Å; C350-G360 WeakPolarHBondContact CA-O 2.95Å; C350-G360 VanDerWaalsContact CB-O 3.31Å; C350-G360 WeakPolarHBondContact CB-O 3.24Å; K351-G360 PolarHBondContact N-O 3.1Å; K351-G360 PolarHBondContact O-N 2.81Å; V353-G360 VanDerWaalsContact CG2-CA 3.42Å
361	V	87.6	Confident	79.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	105.3	-174.9	-177.5	0	0	0	0	109.4	E254 P345 C348 C350 L359 P378 A381 E383 L384 N385	E254-V361 PolarHBondContact OE1-N 3.47Å; P345-V361 HydrophobicContact CG-CG1 4.14Å; C348-V361 HydrophobicContact CB-CG1 4.29Å; C350-V361 HydrophobicContact CB-CG2 4.39Å; L359-V361 HydrophobicContact CD2-CG2 4.08Å; L359-V361 HydrophobicContact CG-CG2 3.87Å; V361-P378 HydrophobicContact CG1-CG 4.29Å; V361-P378 HydrophobicContact CG2-CB 3.93Å; V361-P378 HydrophobicContact CG2-CG 4.04Å; V361-A381 HydrophobicContact CG2-CB 3.87Å; V361-E383 PolarHBondContact N-O 2.88Å; V361-L384 HydrophobicContact CB-CD1 3.78Å; V361-L384 HydrophobicContact CG1-CD1 3.67Å; V361-L384 WeakPolarHBondContact O-CA 2.99Å; V361-N385 PolarHBondContact O-N 3.18Å
362	N	86.9	Confident	79.4	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.027	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.7	177.7	-175.3	6.2	0	0	0	111.9	G249 N250 C348 S349 E364 N385	G249-N362 VanDerWaalsContact C-ND2 3.32Å; G249-N362 PolarHBondContact O-ND2 2.98Å; N250-N362 PolarHBondContact OD1-ND2 3.27Å; C348-N362 WeakPolarHBondContact CA-O 3.3Å; C348-N362 VanDerWaalsContact CB-O 3.29Å; C348-N362 WeakPolarHBondContact CB-O 2.98Å; S349-N362 PolarHBondContact N-O 3.1Å; S349-N362 PolarHBondContact O-N 3.09Å; S349-N362 PolarHBondContact OG-O 2.84Å; N362-E364 VanDerWaalsContact OD1-CB 3.28Å; N362-E364 WeakPolarHBondContact OD1-CB 3.5Å; N362-E364 PolarHBondContact OD1-N 2.99Å; N362-N385 PolarHBondContact OD1-ND2 3.28Å
363	C	89.6	Confident	79.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.312	C	S	.	.			trans	-120.2	19.7	179.3	-60.8	0	0	0	0	112.4	C348 K366 I368 N385 M386 N389	C348-C363 HydrophobicContact CB-CB 4.03Å; C348-C363 WeakPolarHBondContact CB-SG 3.36Å; C348-C363 WeakPolarHBondContact SG-CB 3.43Å; C348-C363 CovalentContact SG-SG 2.03Å; C348-C363 PolarHBondContact SG-SG 3.08Å; C363-K366 VanDerWaalsContact O-CG 3.26Å; C363-K366 WeakPolarHBondContact O-CG 3.36Å; C363-I368 HydrophobicContact CB-CD1 3.78Å; C363-N385 WeakPolarHBondContact CA-O 3.47Å; C363-N385 WeakPolarHBondContact CB-O 3.43Å; C363-N385 PolarHBondContact N-O 3.39Å; C363-M386 HydrophobicContact CB-CE 4.12Å; C363-M386 HydrophobicContact CB-SD 3.48Å; C363-M386 WeakPolarHBondContact CB-SD 3.11Å; C363-M386 VanDerWaalsContact SG-SD 3.63Å; C363-N389 PolarHBondContact O-ND2 2.93Å
364	E	89.3	Confident	80.7	Confident	50 Å²	50	55.2 Å²	55.2	23%	0.234	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	137.1	-175.6	-173.9	178.9	130.1	0	0	113.4	N362 K366 N385 R387	N362-E364 VanDerWaalsContact OD1-CB 3.28Å; N362-E364 WeakPolarHBondContact OD1-CB 3.5Å; N362-E364 PolarHBondContact OD1-N 2.99Å; E364-K366 WeakPolarHBondContact O-CD 3.33Å; E364-K366 WeakPolarHBondContact O-CE 3.43Å; E364-K366 WeakPolarHBondContact O-CG 3.5Å; E364-K366 PolarHBondContact O-N 2.96Å; E364-K366 VanDerWaalsContact O-N 3.1Å; E364-K366 PolarHBondContact O-NZ 2.81Å; E364-N385 PolarHBondContact OE2-ND2 3.23Å; E364-R387 WeakPolarHBondContact CA-O 3.39Å; E364-R387 HydrophobicContact CG-CB 4.22Å
365	G	87.3	Confident	81.9	Confident	43 Å²	43	61 Å²	61	44%	0.443	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	8.6	174.1	0	0	0	0	0	115.5	K367 R387 D388	G365-K367 VanDerWaalsContact C-N 3.3Å; G365-K367 PolarHBondContact O-N 3.19Å; G365-R387 PolarHBondContact N-O 3.01Å; G365-R387 VanDerWaalsContact N-O 3.11Å; G365-D388 VanDerWaalsContact CA-O 3.32Å; G365-D388 WeakPolarHBondContact CA-O 3.46Å
366	K	89.9	Confident	83.5	Confident	92 Å²	92	58.3 Å²	58.3	40%	0.4	31%	0.305	S	S	.	.	S	Bend	trans	-84.3	6	-171.3	-56.1	-53.4	178	-107.3	0	114.8	P347 C363 E364 I368 N389	P347-K366 HydrophobicContact CG-CB 3.83Å; P347-K366 HydrophobicContact CG-CG 4.16Å; C363-K366 VanDerWaalsContact O-CG 3.26Å; C363-K366 WeakPolarHBondContact O-CG 3.36Å; E364-K366 WeakPolarHBondContact O-CD 3.33Å; E364-K366 WeakPolarHBondContact O-CE 3.43Å; E364-K366 WeakPolarHBondContact O-CG 3.5Å; E364-K366 PolarHBondContact O-N 2.96Å; E364-K366 VanDerWaalsContact O-N 3.1Å; E364-K366 PolarHBondContact O-NZ 2.81Å; K366-I368 VanDerWaalsContact C-N 3.28Å; K366-I368 HydrophobicContact CB-CD1 4.02Å; K366-I368 HydrophobicContact CB-CG1 4.05Å; K366-I368 PolarHBondContact O-N 2.79Å; K366-N389 PolarHBondContact N-OD1 3.12Å
367	K	90.5	Very high	85	Confident	178 Å²	178	51.8 Å²	51.8	77%	0.774	28%	0.282	S	S	*	.			trans	59.1	34	-179.9	-53.4	177.8	-179.4	178.9	0	113.6	G365 N389	G365-K367 VanDerWaalsContact C-N 3.3Å; G365-K367 PolarHBondContact O-N 3.19Å; K367-N389 PolarHBondContact N-OD1 3.02Å
368	I	92.1	Very high	86	Confident	18 Å²	18	46.5 Å²	46.5	9%	0.092	26%	0.257	C	S	.	.			trans	-74.8	128.8	178.6	-63.9	167.8	0	0	0	109.4	C363 K366 S370 L374 M386 N389 N390 I391	C363-I368 HydrophobicContact CB-CD1 3.78Å; K366-I368 VanDerWaalsContact C-N 3.28Å; K366-I368 HydrophobicContact CB-CD1 4.02Å; K366-I368 HydrophobicContact CB-CG1 4.05Å; K366-I368 PolarHBondContact O-N 2.79Å; I368-S370 VanDerWaalsContact CG2-O 3.23Å; I368-S370 WeakPolarHBondContact CG2-O 3.47Å; I368-L374 HydrophobicContact CD1-CD2 4.07Å; I368-M386 HydrophobicContact CB-CE 4.14Å; I368-M386 HydrophobicContact CD1-CE 3.8Å; I368-M386 HydrophobicContact CG2-CE 3.82Å; I368-N389 HydrophobicContact CB-CB 4.45Å; I368-N389 PolarHBondContact N-OD1 3.34Å; I368-N390 CarbonylContact O-C 3.11Å; I368-N390 WeakPolarHBondContact O-CA 3.5Å; I368-N390 PolarHBondContact O-N 3.3Å; I368-I391 PolarHBondContact O-N 2.84Å
369	E	91.5	Very high	86.6	Confident	137 Å²	137	50.4 Å²	50.4	64%	0.64	28%	0.275	S	S	*	.	S	Bend	trans	-90	-14.3	-177.9	-58.4	-178.7	163.3	0	0	113.6	N390	E369-N390 WeakPolarHBondContact CA-O 3.16Å; E369-N390 HydrophobicContact CG-CB 4.43Å
370	S	90.2	Very high	86.5	Confident	32 Å²	32	53.3 Å²	53.3	22%	0.224	30%	0.299	C	S	.	.			trans	-165.8	142.7	-174.7	179.9	0	0	0	0	111.5	I368 A372 G373 Q398	I368-S370 VanDerWaalsContact CG2-O 3.23Å; I368-S370 WeakPolarHBondContact CG2-O 3.47Å; S370-A372 PolarHBondContact O-N 3.49Å; S370-A372 VanDerWaalsContact O-N 3.14Å; S370-A372 PolarHBondContact OG-N 2.96Å; S370-G373 PolarHBondContact O-N 2.78Å; S370-Q398 PolarHBondContact OG-NE2 2.96Å
371	L	87.3	Confident	86.6	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-59.7	-22.5	171.6	-73.5	76.9	0	0	0	112.6	G373 L374 I391 V394 Q398 L399 L410	L371-G373 PolarHBondContact O-N 2.81Å; L371-L374 WeakPolarHBondContact O-CB 3.47Å; L371-L374 WeakPolarHBondContact O-CG 3.39Å; L371-L374 PolarHBondContact O-N 2.78Å; L371-I391 HydrophobicContact CD1-CD1 3.79Å; L371-I391 HydrophobicContact CD1-CG1 4.39Å; L371-I391 HydrophobicContact CD1-CG2 3.99Å; L371-V394 HydrophobicContact CD1-CG1 4.45Å; L371-Q398 HydrophobicContact CB-CB 3.87Å; L371-Q398 HydrophobicContact CB-CG 4.28Å; L371-L399 HydrophobicContact CD2-CD2 3.62Å; L371-L399 HydrophobicContact CD2-CG 4.07Å; L371-L410 HydrophobicContact CD1-CD2 4.13Å
372	A	84.9	Confident	86.5	Confident	62 Å²	62	56.3 Å²	56.3	51%	0.512	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-69.5	-12.2	172.3	0	0	0	0	0	113.7	S370 L374 Q398	S370-A372 PolarHBondContact O-N 3.49Å; S370-A372 VanDerWaalsContact O-N 3.14Å; S370-A372 PolarHBondContact OG-N 2.96Å; A372-L374 VanDerWaalsContact C-N 3.29Å; A372-Q398 HydrophobicContact CB-CG 4.22Å
373	G	80.1	Confident	86.5	Confident	47 Å²	47	56.9 Å²	56.9	49%	0.485	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-72	-20.2	172.1	0	0	0	0	0	113.6	S370 L371 K375	S370-G373 PolarHBondContact O-N 2.78Å; L371-G373 PolarHBondContact O-N 2.81Å; G373-K375 PolarHBondContact O-N 3.09Å
374	L	84.5	Confident	86.5	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.037	32%	0.316	C	S	.	.			trans	-68.2	102.1	179.2	-60.2	178.2	0	0	0	110.6	P345 I368 L371 A372 P376 L384 M386	P345-L374 HydrophobicContact CB-CB 3.95Å; P345-L374 HydrophobicContact CB-CD2 3.97Å; P345-L374 HydrophobicContact CG-CB 4.25Å; P345-L374 HydrophobicContact CG-CD2 3.95Å; I368-L374 HydrophobicContact CD1-CD2 4.07Å; L371-L374 WeakPolarHBondContact O-CB 3.47Å; L371-L374 WeakPolarHBondContact O-CG 3.39Å; L371-L374 PolarHBondContact O-N 2.78Å; A372-L374 VanDerWaalsContact C-N 3.29Å; L374-P376 CarbonylContact O-C 3.52Å; L374-L384 HydrophobicContact CD1-CD1 4.32Å; L374-M386 HydrophobicContact CD1-CE 4.49Å; L374-M386 HydrophobicContact CD1-SD 4.1Å; L374-M386 HydrophobicContact CD2-CE 4.34Å; L374-M386 HydrophobicContact CD2-SD 4.38Å
375	K	83.8	Confident	86.5	Confident	159 Å²	159	54.6 Å²	54.6	69%	0.691	31%	0.305	S	S	*	.	B	Isolated β-bridge	trans	-128.7	122.9	179.5	-67.7	-178.6	-177.4	176.2	0	110.2	G373	G373-K375 PolarHBondContact O-N 3.09Å
376	P	85	Confident	86.7	Confident	61 Å²	61	52.5 Å²	52.5	40%	0.396	28%	0.284	S	S	.	.	S	Bend	cis	-63.2	159	-10.6	30	-37.4	0	0	0	112.6	T343 P345 L374 P378	T343-P376 HydrophobicContact CG2-CB 4.13Å; T343-P376 HydrophobicContact CG2-CG 3.83Å; P345-P376 WeakPolarHBondContact CB-O 3.37Å; L374-P376 CarbonylContact O-C 3.52Å; P376-P378 WeakPolarHBondContact O-CD 3.38Å
377	K	84.6	Confident	86.8	Confident	65 Å²	65	50.2 Å²	50.2	28%	0.283	27%	0.273	S	S	.	.			trans	-78.6	119.5	178.9	-172.7	178.5	-171.8	177.5	0	110.2	L379 Q398 L400 Y402	K377-L379 HydrophobicContact CD-CD2 3.89Å; K377-L379 HydrophobicContact CG-CD2 4.13Å; K377-L379 PolarHBondContact O-N 2.62Å; K377-Q398 WeakPolarHBondContact CE-O 3.5Å; K377-Q398 PolarHBondContact NZ-O 2.73Å; K377-L400 PolarHBondContact NZ-O 2.75Å; K377-Y402 HydrophobicContact CD-CE2 4.31Å; K377-Y402 HydrophobicContact CG-CE2 4.17Å
378	P	83.8	Confident	86.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.259	C	S	.	.			trans	-78.6	79.5	-176.7	31.2	-35.3	0	0	0	111.7	P345 L359 V361 P376 A380 A381 Y402	P345-P378 HydrophobicContact CG-CG 3.93Å; L359-P378 HydrophobicContact CD2-CB 3.95Å; V361-P378 HydrophobicContact CG1-CG 4.29Å; V361-P378 HydrophobicContact CG2-CB 3.93Å; V361-P378 HydrophobicContact CG2-CG 4.04Å; P376-P378 WeakPolarHBondContact O-CD 3.38Å; P378-A380 PolarHBondContact O-N 3.42Å; P378-A381 HydrophobicContact CB-CB 4.36Å; P378-A381 VanDerWaalsContact O-CB 3.26Å; P378-A381 WeakPolarHBondContact O-CB 3.45Å; P378-A381 PolarHBondContact O-N 3.39Å; P378-A381 VanDerWaalsContact O-N 3.08Å; P378-Y402 WeakPolarHBondContact CD-OH 3.24Å; P378-Y402 HydrophobicContact CG-CE1 4.07Å; P378-Y402 WeakPolarHBondContact O-CE1 3.47Å
379	L	83.1	Confident	87	Confident	95 Å²	95	45.8 Å²	45.8	50%	0.497	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.1	-178.5	-64	177	0	0	0	114.1	K377 A381	K377-L379 HydrophobicContact CD-CD2 3.89Å; K377-L379 HydrophobicContact CG-CD2 4.13Å; K377-L379 PolarHBondContact O-N 2.62Å; L379-A381 VanDerWaalsContact C-N 3.26Å; L379-A381 PolarHBondContact O-N 3.29Å
380	A	81.3	Confident	87.2	Confident	64 Å²	64	41.4 Å²	41.4	53%	0.529	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	4.8	176	0	0	0	0	0	113.6	L359 P378 H382	L359-A380 HydrophobicContact CB-CB 4.33Å; L359-A380 WeakPolarHBondContact CB-O 3.47Å; L359-A380 HydrophobicContact CD2-CB 4.49Å; L359-A380 PolarHBondContact N-O 3.03Å; P378-A380 PolarHBondContact O-N 3.42Å; A380-H382 PolarHBondContact O-N 2.82Å
381	A	85.1	Confident	87.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	125.4	-176.5	0	0	0	0	0	111.9	L359 V361 P378 L379 Y402 L405	L359-A381 CarbonylContact O-C 3.33Å; L359-A381 WeakPolarHBondContact O-CA 3.31Å; V361-A381 HydrophobicContact CG2-CB 3.87Å; P378-A381 HydrophobicContact CB-CB 4.36Å; P378-A381 VanDerWaalsContact O-CB 3.26Å; P378-A381 WeakPolarHBondContact O-CB 3.45Å; P378-A381 PolarHBondContact O-N 3.39Å; P378-A381 VanDerWaalsContact O-N 3.08Å; L379-A381 VanDerWaalsContact C-N 3.26Å; L379-A381 PolarHBondContact O-N 3.29Å; A381-Y402 HydrophobicContact CB-CD1 3.92Å; A381-Y402 HydrophobicContact CB-CE1 3.82Å; A381-L405 HydrophobicContact CB-CD1 4.17Å
382	H	86.2	Confident	87.7	Confident	63 Å²	63	44.3 Å²	44.3	29%	0.292	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-34.6	170.6	-163.8	55.2	0	0	0	110.6	L359 A380 S404 N406 L407	L359-H382 PolarHBondContact O-N 3.06Å; A380-H382 PolarHBondContact O-N 2.82Å; H382-S404 PolarHBondContact ND1-O 2.72Å; H382-N406 WeakPolarHBondContact CE1-CB 3.47Å; H382-N406 PolarHBondContact O-N 3.42Å; H382-L407 PolarHBondContact O-N 3.23Å
383	E	86.7	Confident	88.1	Confident	17 Å²	17	42.6 Å²	42.6	8%	0.079	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.1	176.1	-55.8	-175.7	174.6	0	0	108.9	V353 L359 V361 L407	V353-E383 HydrophobicContact CG2-CG 4.31Å; L359-E383 PolarHBondContact O-N 3.41Å; V361-E383 PolarHBondContact N-O 2.88Å; E383-L407 HydrophobicContact CB-CB 4.31Å; E383-L407 HydrophobicContact CG-CB 4.05Å
384	L	89.9	Confident	88.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	100.3	-179.6	-178.9	59.6	0	0	0	109.9	V361 L374 M386 Y402 L405 L407 L408 D409	V361-L384 HydrophobicContact CB-CD1 3.78Å; V361-L384 HydrophobicContact CG1-CD1 3.67Å; V361-L384 WeakPolarHBondContact O-CA 2.99Å; L374-L384 HydrophobicContact CD1-CD1 4.32Å; L384-M386 HydrophobicContact CD1-CG 4.13Å; L384-M386 HydrophobicContact CD1-SD 3.8Å; L384-M386 HydrophobicContact CD2-CG 4.38Å; L384-M386 HydrophobicContact CG-CG 3.89Å; L384-M386 HydrophobicContact CG-SD 4.21Å; L384-Y402 HydrophobicContact CD2-CE1 4.03Å; L384-L405 HydrophobicContact CB-CD1 3.73Å; L384-L407 PolarHBondContact N-O 3.04Å; L384-L408 HydrophobicContact CB-CD1 4.14Å; L384-L408 HydrophobicContact CD2-CD1 4.02Å; L384-L408 HydrophobicContact CG-CD1 4.12Å; L384-D409 PolarHBondContact O-N 2.76Å
385	N	89.7	Confident	89.1	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.011	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	112.4	173.6	-179.4	5	0	0	0	110.3	V361 N362 C363 E364 R387	V361-N385 PolarHBondContact O-N 3.18Å; N362-N385 PolarHBondContact OD1-ND2 3.28Å; C363-N385 WeakPolarHBondContact CA-O 3.47Å; C363-N385 WeakPolarHBondContact CB-O 3.43Å; C363-N385 PolarHBondContact N-O 3.39Å; E364-N385 PolarHBondContact OE2-ND2 3.23Å; N385-R387 VanDerWaalsContact OD1-CB 3.22Å; N385-R387 WeakPolarHBondContact OD1-CB 3.4Å; N385-R387 PolarHBondContact OD1-N 3.32Å
386	M	91.4	Very high	89.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.			trans	-117.7	19.9	175.9	-58.8	-68	-55.8	0	0	112	C363 I368 L374 L384 N389 I391 D409 L410 N413	C363-M386 HydrophobicContact CB-CE 4.12Å; C363-M386 HydrophobicContact CB-SD 3.48Å; C363-M386 WeakPolarHBondContact CB-SD 3.11Å; C363-M386 VanDerWaalsContact SG-SD 3.63Å; I368-M386 HydrophobicContact CB-CE 4.14Å; I368-M386 HydrophobicContact CD1-CE 3.8Å; I368-M386 HydrophobicContact CG2-CE 3.82Å; L374-M386 HydrophobicContact CD1-CE 4.49Å; L374-M386 HydrophobicContact CD1-SD 4.1Å; L374-M386 HydrophobicContact CD2-CE 4.34Å; L374-M386 HydrophobicContact CD2-SD 4.38Å; L384-M386 HydrophobicContact CD1-CG 4.13Å; L384-M386 HydrophobicContact CD1-SD 3.8Å; L384-M386 HydrophobicContact CD2-CG 4.38Å; L384-M386 HydrophobicContact CG-CG 3.89Å; L384-M386 HydrophobicContact CG-SD 4.21Å; M386-N389 VanDerWaalsContact C-ND2 3.32Å; M386-N389 WeakPolarHBondContact O-CB 3.48Å; M386-N389 PolarHBondContact O-ND2 2.8Å; M386-I391 HydrophobicContact CB-CD1 3.92Å; M386-I391 HydrophobicContact CE-CD1 3.91Å; M386-D409 CarbonylContact C-O 3.52Å; M386-D409 WeakPolarHBondContact CA-O 3.46Å; M386-D409 WeakPolarHBondContact CB-O 3.5Å; M386-D409 PolarHBondContact N-O 3.24Å; M386-L410 HydrophobicContact CB-CD2 4Å; M386-L410 HydrophobicContact CG-CD2 4.35Å; M386-N413 PolarHBondContact O-ND2 2.93Å
387	R	92.2	Very high	89.1	Confident	44 Å²	44	44.4 Å²	44.4	17%	0.166	22%	0.224	C	C	.	.			trans	-59.5	152.3	-176.3	-155.6	177.7	-160.9	108.4	0.7	113	E364 G365 N385 N389 D409 G411 D435	E364-R387 WeakPolarHBondContact CA-O 3.39Å; E364-R387 HydrophobicContact CG-CB 4.22Å; G365-R387 PolarHBondContact N-O 3.01Å; G365-R387 VanDerWaalsContact N-O 3.11Å; N385-R387 VanDerWaalsContact OD1-CB 3.22Å; N385-R387 WeakPolarHBondContact OD1-CB 3.4Å; N385-R387 PolarHBondContact OD1-N 3.32Å; R387-N389 VanDerWaalsContact C-N 3.31Å; R387-N389 PolarHBondContact O-N 2.88Å; R387-N389 PolarHBondContact O-ND2 2.85Å; R387-D409 IonicContact CZ-OD1 2.71Å; R387-D409 IonicContact CZ-OD2 3.72Å; R387-D409 IonicContact NH1-OD1 3.01Å; R387-D409 PolarHBondContact NH1-OD1 3.29Å; R387-D409 IonicContact NH1-OD2 3.61Å; R387-D409 PolarHBondContact NH1-OD2 2.95Å; R387-G411 VanDerWaalsContact CA-O 3.31Å; R387-G411 WeakPolarHBondContact CA-O 3.13Å; R387-G411 WeakPolarHBondContact CG-O 3.28Å; R387-D435 IonicContact CZ-OD1 3.85Å; R387-D435 IonicContact CZ-OD2 3.61Å; R387-D435 IonicContact NH1-OD1 2.79Å; R387-D435 IonicContact NH2-OD1 3.97Å; R387-D435 PolarHBondContact NH2-OD1 3.48Å; R387-D435 IonicContact NH2-OD2 3.86Å; R387-D435 PolarHBondContact NH2-OD2 2.86Å
388	D	92.2	Very high	89.1	Confident	91 Å²	91	41.9 Å²	41.9	49%	0.487	21%	0.213	S	C	.	.	S	Bend	trans	52.2	44	176.5	-63.6	-25.6	0	0	0	114.2	G365 G411 G412	G365-D388 VanDerWaalsContact CA-O 3.32Å; G365-D388 WeakPolarHBondContact CA-O 3.46Å; D388-G411 PolarHBondContact N-O 2.96Å; D388-G411 VanDerWaalsContact N-O 3.09Å; D388-G412 WeakPolarHBondContact CA-O 3.42Å
389	N	94.4	Very high	89.3	Confident	11 Å²	11	41.9 Å²	41.9	6%	0.059	21%	0.213	C	C	.	.	S	Bend	trans	-110.5	-172.2	175.2	-81.9	-75.1	0	0	0	111.4	C363 K366 K367 I368 M386 R387 I391 N413	C363-N389 PolarHBondContact O-ND2 2.93Å; K366-N389 PolarHBondContact N-OD1 3.12Å; K367-N389 PolarHBondContact N-OD1 3.02Å; I368-N389 HydrophobicContact CB-CB 4.45Å; I368-N389 PolarHBondContact N-OD1 3.34Å; M386-N389 VanDerWaalsContact C-ND2 3.32Å; M386-N389 WeakPolarHBondContact O-CB 3.48Å; M386-N389 PolarHBondContact O-ND2 2.8Å; R387-N389 VanDerWaalsContact C-N 3.31Å; R387-N389 PolarHBondContact O-N 2.88Å; R387-N389 PolarHBondContact O-ND2 2.85Å; N389-I391 HydrophobicContact CB-CD1 4.38Å; N389-I391 HydrophobicContact CB-CG1 4.3Å; N389-N413 WeakPolarHBondContact CA-OD1 3.01Å; N389-N413 WeakPolarHBondContact CB-OD1 3.44Å; N389-N413 PolarHBondContact O-OD1 3.15Å
390	N	94.6	Very high	89.4	Confident	46 Å²	46	41.7 Å²	41.7	25%	0.246	21%	0.213	C	C	.	.			trans	-110.4	33.7	-178.7	-169.2	41.9	0	0	0	111.9	I368 E369 H392 N414	I368-N390 CarbonylContact O-C 3.11Å; I368-N390 WeakPolarHBondContact O-CA 3.5Å; I368-N390 PolarHBondContact O-N 3.3Å; E369-N390 WeakPolarHBondContact CA-O 3.16Å; E369-N390 HydrophobicContact CG-CB 4.43Å; N390-H392 PolarHBondContact ND2-NE2 3.02Å; N390-H392 PolarHBondContact O-CD2 3.25Å; N390-H392 PolarHBondContact O-N 3.42Å; N390-H392 PolarHBondContact OD1-CE1 3.18Å; N390-H392 VanDerWaalsContact OD1-CE1 3.32Å; N390-H392 PolarHBondContact OD1-NE2 2.99Å; N390-N414 PolarHBondContact OD1-ND2 2.89Å
391	I	95.3	Very high	89.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.			trans	-71.8	121.7	-177	-57.7	162.4	0	0	0	108.9	I368 L371 M386 N389 L410 N413 N414 I415	I368-I391 PolarHBondContact O-N 2.84Å; L371-I391 HydrophobicContact CD1-CD1 3.79Å; L371-I391 HydrophobicContact CD1-CG1 4.39Å; L371-I391 HydrophobicContact CD1-CG2 3.99Å; M386-I391 HydrophobicContact CB-CD1 3.92Å; M386-I391 HydrophobicContact CE-CD1 3.91Å; N389-I391 HydrophobicContact CB-CD1 4.38Å; N389-I391 HydrophobicContact CB-CG1 4.3Å; I391-L410 HydrophobicContact CD1-CD2 3.89Å; I391-N413 HydrophobicContact CB-CB 4.35Å; I391-N413 VanDerWaalsContact CB-OD1 3.27Å; I391-N413 WeakPolarHBondContact CB-OD1 3.45Å; I391-N413 WeakPolarHBondContact CD1-OD1 3.4Å; I391-N413 VanDerWaalsContact CG1-OD1 3.25Å; I391-N413 WeakPolarHBondContact CG1-OD1 3.4Å; I391-N413 PolarHBondContact N-OD1 3.43Å; I391-N414 CarbonylContact O-C 3.51Å; I391-N414 WeakPolarHBondContact O-CA 3.37Å; I391-N414 PolarHBondContact O-N 3.44Å; I391-I415 HydrophobicContact CB-CG1 4.16Å; I391-I415 HydrophobicContact CG2-CD1 4.28Å; I391-I415 HydrophobicContact CG2-CG1 3.97Å; I391-I415 VanDerWaalsContact O-CG1 3.3Å; I391-I415 WeakPolarHBondContact O-CG1 3.33Å; I391-I415 PolarHBondContact O-N 3.07Å
392	H	93.6	Very high	89.4	Confident	97 Å²	97	40.5 Å²	40.5	45%	0.449	21%	0.206	S	C	.	.			trans	-95.4	-26.9	-178	-69.2	-58.3	0	0	0	114.7	N390 N414 I415 K416	N390-H392 PolarHBondContact ND2-NE2 3.02Å; N390-H392 PolarHBondContact O-CD2 3.25Å; N390-H392 PolarHBondContact O-N 3.42Å; N390-H392 PolarHBondContact OD1-CE1 3.18Å; N390-H392 VanDerWaalsContact OD1-CE1 3.32Å; N390-H392 PolarHBondContact OD1-NE2 2.99Å; H392-N414 WeakPolarHBondContact CA-O 3.12Å; H392-N414 VanDerWaalsContact ND1-CB 3.31Å; H392-N414 WeakPolarHBondContact ND1-CB 2.98Å; H392-I415 WeakPolarHBondContact O-CA 3Å; H392-K416 PolarHBondContact O-N 2.96Å
393	A	93.3	Very high	89.3	Confident	26 Å²	26	40.5 Å²	40.5	22%	0.215	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	139.1	178.5	0	0	0	0	0	111.1	V417	A393-V417 CarbonylContact C-O 3.54Å; A393-V417 VanDerWaalsContact CA-O 3.22Å; A393-V417 WeakPolarHBondContact CA-O 3.34Å; A393-V417 HydrophobicContact CB-CB 4.33Å; A393-V417 WeakPolarHBondContact CB-O 2.94Å
394	V	93.6	Very high	89.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116	176.3	-164.1	0	0	0	0	108.4	L371 L399 L410 I415 V417 V418 D419 T422	L371-V394 HydrophobicContact CD1-CG1 4.45Å; V394-L399 HydrophobicContact CG1-CD1 4.24Å; V394-L410 HydrophobicContact CG2-CD1 4.08Å; V394-I415 HydrophobicContact CG2-CD1 3.8Å; V394-I415 HydrophobicContact CG2-CG1 4.33Å; V394-I415 HydrophobicContact CG2-CG2 4.13Å; V394-V417 PolarHBondContact N-O 3.19Å; V394-V418 HydrophobicContact CB-CG1 4.45Å; V394-V418 HydrophobicContact CB-CG2 4.35Å; V394-V418 HydrophobicContact CG2-CG2 4.37Å; V394-V418 WeakPolarHBondContact O-CA 3.29Å; V394-D419 PolarHBondContact O-N 3.1Å; V394-T422 HydrophobicContact CG1-CG2 3.79Å
395	K	91.3	Very high	89.3	Confident	99 Å²	99	42.4 Å²	42.4	43%	0.43	23%	0.228	S	C	.	.			trans	-103.2	148.8	-172.2	-60.7	-168.9	177.9	-172.7	0	112.8	N397 Q398 D419	K395-N397 PolarHBondContact O-N 3.31Å; K395-Q398 HydrophobicContact CB-CG 4.03Å; K395-Q398 VanDerWaalsContact O-CB 3.26Å; K395-Q398 WeakPolarHBondContact O-CB 3.16Å; K395-Q398 PolarHBondContact O-N 2.95Å; K395-D419 WeakPolarHBondContact CA-OD2 3.49Å; K395-D419 WeakPolarHBondContact CB-OD2 3.09Å; K395-D419 WeakPolarHBondContact CG-OD2 3.34Å
396	R	85.3	Confident	89.2	Confident	107 Å²	107	43.3 Å²	43.3	40%	0.404	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-35	-174.2	-177.8	-177	173	95.6	7.8	113.7	Q398 D419 N420 G421 T422 Q424	R396-Q398 VanDerWaalsContact C-N 3.34Å; R396-D419 HydrophobicContact CB-CB 4.04Å; R396-D419 PolarHBondContact N-OD2 3.23Å; R396-D419 VanDerWaalsContact N-OD2 3.14Å; R396-N420 PolarHBondContact NH1-O 3.21Å; R396-N420 VanDerWaalsContact NH1-O 3.08Å; R396-G421 PolarHBondContact NH1-O 2.88Å; R396-T422 VanDerWaalsContact CA-OG1 3.31Å; R396-T422 WeakPolarHBondContact CA-OG1 3.47Å; R396-T422 PolarHBondContact N-OG1 2.97Å; R396-Q424 VanDerWaalsContact CZ-OE1 3.3Å
397	N	83.3	Confident	89.1	Confident	106 Å²	106	43.7 Å²	43.7	57%	0.567	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.2	179.4	64.9	-12.3	0	0	0	114.4	K395 L400	K395-N397 PolarHBondContact O-N 3.31Å; N397-L400 HydrophobicContact CB-CD1 4.27Å
398	Q	85.9	Confident	89.2	Confident	11 Å²	11	41.6 Å²	41.6	5%	0.051	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-38.9	-177.1	-65.9	168.3	1.3	0	0	111.8	S370 L371 A372 K377 K395 R396	S370-Q398 PolarHBondContact OG-NE2 2.96Å; L371-Q398 HydrophobicContact CB-CB 3.87Å; L371-Q398 HydrophobicContact CB-CG 4.28Å; A372-Q398 HydrophobicContact CB-CG 4.22Å; K377-Q398 WeakPolarHBondContact CE-O 3.5Å; K377-Q398 PolarHBondContact NZ-O 2.73Å; K395-Q398 HydrophobicContact CB-CG 4.03Å; K395-Q398 VanDerWaalsContact O-CB 3.26Å; K395-Q398 WeakPolarHBondContact O-CB 3.16Å; K395-Q398 PolarHBondContact O-N 2.95Å; R396-Q398 VanDerWaalsContact C-N 3.34Å
399	L	86.9	Confident	89.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-91.2	-0.3	179.9	-71.4	177.6	0	0	0	115.1	L371 V394 G401 Y402 L408 T422 F423 Q426	L371-L399 HydrophobicContact CD2-CD2 3.62Å; L371-L399 HydrophobicContact CD2-CG 4.07Å; V394-L399 HydrophobicContact CG1-CD1 4.24Å; L399-G401 PolarHBondContact O-N 3.34Å; L399-G401 VanDerWaalsContact O-N 3.16Å; L399-Y402 HydrophobicContact CD2-CD2 3.81Å; L399-Y402 HydrophobicContact CD2-CE2 4.1Å; L399-Y402 HydrophobicContact CD2-CG 4.33Å; L399-Y402 PolarHBondContact O-N 2.78Å; L399-Y402 VanDerWaalsContact O-N 3.15Å; L399-L408 HydrophobicContact CD1-CD2 3.94Å; L399-T422 HydrophobicContact CB-CG2 4.5Å; L399-T422 HydrophobicContact CD1-CG2 3.9Å; L399-T422 HydrophobicContact CG-CG2 4.46Å; L399-F423 HydrophobicContact CD1-CD1 3.64Å; L399-F423 HydrophobicContact CD1-CE1 3.39Å; L399-F423 HydrophobicContact CD1-CZ 4.47Å; L399-Q426 PolarHBondContact O-NE2 3.46Å
400	L	84.7	Confident	89.3	Confident	92 Å²	92	36.8 Å²	36.8	48%	0.482	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	120.2	174.4	-76.4	173.9	0	0	0	112.6	K377 N397	K377-L400 PolarHBondContact NZ-O 2.75Å; N397-L400 HydrophobicContact CB-CD1 4.27Å
401	G	79.9	Confident	89.3	Confident	37 Å²	37	34.6 Å²	34.6	38%	0.381	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-1.7	177.6	0	0	0	0	0	115.4	L399 S403	L399-G401 PolarHBondContact O-N 3.34Å; L399-G401 VanDerWaalsContact O-N 3.16Å; G401-S403 PolarHBondContact O-N 3.05Å; G401-S403 VanDerWaalsContact O-N 3.14Å
402	Y	86.4	Confident	89.2	Confident	1 Å²	1	35.6 Å²	35.6	0%	0.004	20%	0.2	C	C	.	.			trans	-83.2	62.1	164.4	-70.7	-86.3	0	0	0	110.1	K377 P378 A381 L384 L399 L405 Q426	K377-Y402 HydrophobicContact CD-CE2 4.31Å; K377-Y402 HydrophobicContact CG-CE2 4.17Å; P378-Y402 WeakPolarHBondContact CD-OH 3.24Å; P378-Y402 HydrophobicContact CG-CE1 4.07Å; P378-Y402 WeakPolarHBondContact O-CE1 3.47Å; A381-Y402 HydrophobicContact CB-CD1 3.92Å; A381-Y402 HydrophobicContact CB-CE1 3.82Å; L384-Y402 HydrophobicContact CD2-CE1 4.03Å; L399-Y402 HydrophobicContact CD2-CD2 3.81Å; L399-Y402 HydrophobicContact CD2-CE2 4.1Å; L399-Y402 HydrophobicContact CD2-CG 4.33Å; L399-Y402 PolarHBondContact O-N 2.78Å; L399-Y402 VanDerWaalsContact O-N 3.15Å; Y402-L405 HydrophobicContact CD1-CD1 4.49Å; Y402-Q426 PolarHBondContact O-NE2 2.97Å
403	S	85.2	Confident	89.3	Confident	63 Å²	63	31 Å²	31	44%	0.441	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-27.7	-176.5	51.6	0	0	0	0	113.4	G401 L405	G401-S403 PolarHBondContact O-N 3.05Å; G401-S403 VanDerWaalsContact O-N 3.14Å; S403-L405 VanDerWaalsContact C-N 3.33Å
404	S	86.4	Confident	89.4	Confident	58 Å²	58	32.1 Å²	32.1	41%	0.406	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	8.2	-177.9	-48.1	0	0	0	0	113.1	H382 N406	H382-S404 PolarHBondContact ND1-O 2.72Å; S404-N406 PolarHBondContact O-N 2.96Å
405	L	89.5	Confident	89.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.			trans	-74.7	123.2	-174.9	-166.5	74	0	0	0	109.8	A381 L384 Y402 S403 L408 E428 L429	A381-L405 HydrophobicContact CB-CD1 4.17Å; L384-L405 HydrophobicContact CB-CD1 3.73Å; Y402-L405 HydrophobicContact CD1-CD1 4.49Å; S403-L405 VanDerWaalsContact C-N 3.33Å; L405-L408 HydrophobicContact CD2-CB 3.99Å; L405-L408 HydrophobicContact CD2-CD1 4.33Å; L405-L408 HydrophobicContact CD2-CD2 4.27Å; L405-L408 HydrophobicContact CD2-CG 4.43Å; L405-E428 CarbonylContact O-C 3.59Å; L405-E428 VanDerWaalsContact O-C 3.3Å; L405-L429 HydrophobicContact CB-CD1 4.32Å; L405-L429 HydrophobicContact CD2-CD1 3.99Å; L405-L429 HydrophobicContact CG-CD1 3.86Å; L405-L429 VanDerWaalsContact O-CA 3.28Å; L405-L429 WeakPolarHBondContact O-CA 3.19Å; L405-L429 PolarHBondContact O-N 3.38Å; L405-L429 VanDerWaalsContact O-N 3.1Å
406	N	87.4	Confident	89.7	Confident	21 Å²	21	33.2 Å²	33.2	11%	0.112	19%	0.186	C	C	.	.			trans	-108.8	-31.2	-176.6	-179	-111.7	0	0	0	112.6	H382 S404 E428 R430 W431	H382-N406 WeakPolarHBondContact CE1-CB 3.47Å; H382-N406 PolarHBondContact O-N 3.42Å; S404-N406 PolarHBondContact O-N 2.96Å; N406-E428 WeakPolarHBondContact CA-O 3.42Å; N406-E428 PolarHBondContact ND2-O 2.81Å; N406-R430 WeakPolarHBondContact ND2-CD 3.32Å; N406-R430 WeakPolarHBondContact ND2-CG 3.33Å; N406-R430 PolarHBondContact O-N 3.05Å; N406-W431 PolarHBondContact O-N 2.92Å; N406-W431 VanDerWaalsContact OD1-CZ3 3.26Å; N406-W431 WeakPolarHBondContact OD1-CZ3 3.35Å
407	L	89.6	Confident	90.1	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133	173.8	-168.9	144.2	0	0	0	111.7	R238 H382 E383 L384 D409 W431 Y433	R238-L407 HydrophobicContact CG-CD1 3.68Å; H382-L407 PolarHBondContact O-N 3.23Å; E383-L407 HydrophobicContact CB-CB 4.31Å; E383-L407 HydrophobicContact CG-CB 4.05Å; L384-L407 PolarHBondContact N-O 3.04Å; L407-D409 HydrophobicContact CD2-CB 4.35Å; L407-W431 HydrophobicContact CB-CB 4.4Å; L407-W431 HydrophobicContact CD1-CB 3.88Å; L407-W431 HydrophobicContact CD1-CD2 4.42Å; L407-W431 HydrophobicContact CD1-CG 4.16Å; L407-W431 HydrophobicContact CG-CB 3.88Å; L407-Y433 HydrophobicContact CD1-CE2 4.24Å; L407-Y433 HydrophobicContact CG-CE2 4.35Å
408	L	93.6	Very high	90.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	115	173.7	178.6	55.5	0	0	0	110	L384 L399 L405 L410 F423 L429 W431 L432 Y433	L384-L408 HydrophobicContact CB-CD1 4.14Å; L384-L408 HydrophobicContact CD2-CD1 4.02Å; L384-L408 HydrophobicContact CG-CD1 4.12Å; L399-L408 HydrophobicContact CD1-CD2 3.94Å; L405-L408 HydrophobicContact CD2-CB 3.99Å; L405-L408 HydrophobicContact CD2-CD1 4.33Å; L405-L408 HydrophobicContact CD2-CD2 4.27Å; L405-L408 HydrophobicContact CD2-CG 4.43Å; L408-L410 HydrophobicContact CD1-CD1 4.31Å; L408-L410 HydrophobicContact CD1-CD2 4.36Å; L408-L410 HydrophobicContact CD1-CG 4.01Å; L408-L410 HydrophobicContact CD2-CD1 3.91Å; L408-L410 HydrophobicContact CD2-CG 4.48Å; L408-L410 HydrophobicContact CG-CD1 3.97Å; L408-L410 HydrophobicContact CG-CG 4.03Å; L408-F423 HydrophobicContact CD2-CE1 3.79Å; L408-L429 HydrophobicContact CB-CD1 3.85Å; L408-L429 HydrophobicContact CB-CD2 4.28Å; L408-W431 PolarHBondContact N-O 3.42Å; L408-L432 HydrophobicContact CB-CD1 4.06Å; L408-L432 HydrophobicContact CD2-CD1 3.98Å; L408-L432 HydrophobicContact CG-CD1 3.99Å; L408-L432 WeakPolarHBondContact O-CA 3.02Å; L408-Y433 PolarHBondContact O-N 3.27Å
409	D	93.4	Very high	91.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.5	174.5	-169.4	-19.3	0	0	0	109.9	R238 L384 M386 R387 L407 G411 Y433	R238-D409 IonicContact NH1-OD2 3.14Å; R238-D409 PolarHBondContact NH1-OD2 3.16Å; L384-D409 PolarHBondContact O-N 2.76Å; M386-D409 CarbonylContact C-O 3.52Å; M386-D409 WeakPolarHBondContact CA-O 3.46Å; M386-D409 WeakPolarHBondContact CB-O 3.5Å; M386-D409 PolarHBondContact N-O 3.24Å; R387-D409 IonicContact CZ-OD1 2.71Å; R387-D409 IonicContact CZ-OD2 3.72Å; R387-D409 IonicContact NH1-OD1 3.01Å; R387-D409 PolarHBondContact NH1-OD1 3.29Å; R387-D409 IonicContact NH1-OD2 3.61Å; R387-D409 PolarHBondContact NH1-OD2 2.95Å; L407-D409 HydrophobicContact CD2-CB 4.35Å; D409-G411 PolarHBondContact OD1-N 3.28Å; D409-Y433 HydrophobicContact CB-CD2 4.19Å
410	L	95.6	Very high	91.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.194	C	C	.	.			trans	-119.9	16.5	176	-68.1	164.2	0	0	0	111	L371 M386 I391 V394 L408 N413 I415 Y433 M434 N437	L371-L410 HydrophobicContact CD1-CD2 4.13Å; M386-L410 HydrophobicContact CB-CD2 4Å; M386-L410 HydrophobicContact CG-CD2 4.35Å; I391-L410 HydrophobicContact CD1-CD2 3.89Å; V394-L410 HydrophobicContact CG2-CD1 4.08Å; L408-L410 HydrophobicContact CD1-CD1 4.31Å; L408-L410 HydrophobicContact CD1-CD2 4.36Å; L408-L410 HydrophobicContact CD1-CG 4.01Å; L408-L410 HydrophobicContact CD2-CD1 3.91Å; L408-L410 HydrophobicContact CD2-CG 4.48Å; L408-L410 HydrophobicContact CG-CD1 3.97Å; L408-L410 HydrophobicContact CG-CG 4.03Å; L410-N413 PolarHBondContact O-ND2 2.64Å; L410-I415 HydrophobicContact CB-CD1 3.83Å; L410-I415 HydrophobicContact CD1-CD1 4.34Å; L410-I415 HydrophobicContact CD2-CD1 4.25Å; L410-I415 HydrophobicContact CG-CD1 4.38Å; L410-Y433 WeakPolarHBondContact CA-O 3.39Å; L410-Y433 WeakPolarHBondContact CB-O 3.29Å; L410-Y433 PolarHBondContact N-O 3.15Å; L410-M434 HydrophobicContact CB-CG 4.29Å; L410-M434 HydrophobicContact CD1-CG 4.38Å; L410-N437 PolarHBondContact O-ND2 3.36Å
411	G	94.5	Very high	91.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	156.8	-177.4	0	0	0	0	0	113.3	R387 D388 D409 N413 D435	R387-G411 VanDerWaalsContact CA-O 3.31Å; R387-G411 WeakPolarHBondContact CA-O 3.13Å; R387-G411 WeakPolarHBondContact CG-O 3.28Å; D388-G411 PolarHBondContact N-O 2.96Å; D388-G411 VanDerWaalsContact N-O 3.09Å; D409-G411 PolarHBondContact OD1-N 3.28Å; G411-N413 PolarHBondContact O-N 3.33Å; G411-N413 PolarHBondContact O-ND2 2.73Å; G411-D435 CarbonylContact C-O 3.2Å; G411-D435 VanDerWaalsContact CA-O 3.25Å; G411-D435 WeakPolarHBondContact CA-O 3.43Å
412	G	93.6	Very high	92.2	Very high	20 Å²	20	27 Å²	27	21%	0.206	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	28.2	173.3	0	0	0	0	0	114.7	D388 D435 K436	D388-G412 WeakPolarHBondContact CA-O 3.42Å; G412-D435 PolarHBondContact N-O 3.07Å; G412-K436 VanDerWaalsContact CA-O 3.32Å; G412-K436 WeakPolarHBondContact CA-O 3.49Å; G412-K436 PolarHBondContact N-O 3.42Å
413	N	96.2	Very high	92.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	16%	0.157	C	C	.	.	S	Bend	trans	-106.8	-175.7	-179.6	-87.1	-95.8	0	0	0	111.3	M386 N389 I391 L410 G411 I415 K436 N437	M386-N413 PolarHBondContact O-ND2 2.93Å; N389-N413 WeakPolarHBondContact CA-OD1 3.01Å; N389-N413 WeakPolarHBondContact CB-OD1 3.44Å; N389-N413 PolarHBondContact O-OD1 3.15Å; I391-N413 HydrophobicContact CB-CB 4.35Å; I391-N413 VanDerWaalsContact CB-OD1 3.27Å; I391-N413 WeakPolarHBondContact CB-OD1 3.45Å; I391-N413 WeakPolarHBondContact CD1-OD1 3.4Å; I391-N413 VanDerWaalsContact CG1-OD1 3.25Å; I391-N413 WeakPolarHBondContact CG1-OD1 3.4Å; I391-N413 PolarHBondContact N-OD1 3.43Å; L410-N413 PolarHBondContact O-ND2 2.64Å; G411-N413 PolarHBondContact O-N 3.33Å; G411-N413 PolarHBondContact O-ND2 2.73Å; N413-I415 HydrophobicContact CB-CD1 4.1Å; N413-I415 HydrophobicContact CB-CG1 3.99Å; N413-K436 PolarHBondContact N-O 2.72Å; N413-N437 WeakPolarHBondContact CA-OD1 3.22Å; N413-N437 WeakPolarHBondContact CB-OD1 3.28Å; N413-N437 PolarHBondContact O-OD1 3.45Å; N413-N437 VanDerWaalsContact O-OD1 3.13Å
414	N	96.1	Very high	92.7	Very high	50 Å²	50	28.2 Å²	28.2	27%	0.267	16%	0.156	S	C	.	.			trans	-104.2	29.4	179.4	-72.5	-33.4	0	0	0	112.5	N390 I391 H392 K416 Y438	N390-N414 PolarHBondContact OD1-ND2 2.89Å; I391-N414 CarbonylContact O-C 3.51Å; I391-N414 WeakPolarHBondContact O-CA 3.37Å; I391-N414 PolarHBondContact O-N 3.44Å; H392-N414 WeakPolarHBondContact CA-O 3.12Å; H392-N414 VanDerWaalsContact ND1-CB 3.31Å; H392-N414 WeakPolarHBondContact ND1-CB 2.98Å; N414-K416 PolarHBondContact O-N 2.92Å; N414-Y438 HydrophobicContact CB-CE2 4.35Å; N414-Y438 WeakPolarHBondContact OD1-CE2 3.41Å
415	I	96.7	Very high	92.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.16	C	C	.	.			trans	-72.8	122.7	-169.9	-59	166.9	0	0	0	110	I391 H392 V394 L410 N413 V418 N437 Y438 L439	I391-I415 HydrophobicContact CB-CG1 4.16Å; I391-I415 HydrophobicContact CG2-CD1 4.28Å; I391-I415 HydrophobicContact CG2-CG1 3.97Å; I391-I415 VanDerWaalsContact O-CG1 3.3Å; I391-I415 WeakPolarHBondContact O-CG1 3.33Å; I391-I415 PolarHBondContact O-N 3.07Å; H392-I415 WeakPolarHBondContact O-CA 3Å; V394-I415 HydrophobicContact CG2-CD1 3.8Å; V394-I415 HydrophobicContact CG2-CG1 4.33Å; V394-I415 HydrophobicContact CG2-CG2 4.13Å; L410-I415 HydrophobicContact CB-CD1 3.83Å; L410-I415 HydrophobicContact CD1-CD1 4.34Å; L410-I415 HydrophobicContact CD2-CD1 4.25Å; L410-I415 HydrophobicContact CG-CD1 4.38Å; N413-I415 HydrophobicContact CB-CD1 4.1Å; N413-I415 HydrophobicContact CB-CG1 3.99Å; I415-V418 HydrophobicContact CG2-CG2 4.33Å; I415-N437 HydrophobicContact CB-CB 4.36Å; I415-N437 WeakPolarHBondContact CB-OD1 2.93Å; I415-N437 VanDerWaalsContact CG1-OD1 3.24Å; I415-N437 WeakPolarHBondContact CG1-OD1 3.27Å; I415-N437 PolarHBondContact N-OD1 3.26Å; I415-Y438 CarbonylContact O-C 3.49Å; I415-Y438 WeakPolarHBondContact O-CA 3.49Å; I415-Y438 PolarHBondContact O-N 3.22Å; I415-L439 HydrophobicContact CG2-CD2 3.98Å; I415-L439 PolarHBondContact O-N 2.88Å
416	K	94.5	Very high	92.8	Very high	120 Å²	120	29.9 Å²	29.9	52%	0.522	16%	0.16	S	C	.	.			trans	-110.4	-24.5	173.8	-69	-171	176	-153.5	0	114.1	H392 N414	H392-K416 PolarHBondContact O-N 2.96Å; N414-K416 PolarHBondContact O-N 2.92Å
417	V	92.9	Very high	92.9	Very high	77 Å²	77	31.3 Å²	31.3	47%	0.467	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	134.8	-172.6	-176.7	0	0	0	0	110.3	A393 V394	A393-V417 CarbonylContact C-O 3.54Å; A393-V417 VanDerWaalsContact CA-O 3.22Å; A393-V417 WeakPolarHBondContact CA-O 3.34Å; A393-V417 HydrophobicContact CB-CB 4.33Å; A393-V417 WeakPolarHBondContact CB-O 2.94Å; V394-V417 PolarHBondContact N-O 3.19Å
418	V	95.4	Very high	92.9	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.1	166.4	-179.4	0	0	0	0	107.5	V394 I415 T422 F423 L439 M446	V394-V418 HydrophobicContact CB-CG1 4.45Å; V394-V418 HydrophobicContact CB-CG2 4.35Å; V394-V418 HydrophobicContact CG2-CG2 4.37Å; V394-V418 WeakPolarHBondContact O-CA 3.29Å; I415-V418 HydrophobicContact CG2-CG2 4.33Å; V418-T422 HydrophobicContact CG1-CG2 4.22Å; V418-F423 HydrophobicContact CG1-CE2 4.05Å; V418-F423 HydrophobicContact CG1-CZ 4.48Å; V418-L439 HydrophobicContact CG2-CD2 4.22Å; V418-M446 HydrophobicContact CB-CE 3.9Å; V418-M446 HydrophobicContact CB-CG 4.39Å; V418-M446 HydrophobicContact CG2-CE 4.09Å
419	D	94.2	Very high	92.9	Very high	56 Å²	56	35.5 Å²	35.5	30%	0.299	19%	0.191	S	C	.	.			trans	-66.6	149	-179.8	-72.9	-13.7	0	0	0	111.3	V394 K395 R396 G421 T422	V394-D419 PolarHBondContact O-N 3.1Å; K395-D419 WeakPolarHBondContact CA-OD2 3.49Å; K395-D419 WeakPolarHBondContact CB-OD2 3.09Å; K395-D419 WeakPolarHBondContact CG-OD2 3.34Å; R396-D419 HydrophobicContact CB-CB 4.04Å; R396-D419 PolarHBondContact N-OD2 3.23Å; R396-D419 VanDerWaalsContact N-OD2 3.14Å; D419-G421 PolarHBondContact O-N 2.8Å; D419-T422 WeakPolarHBondContact CB-OG1 3.47Å; D419-T422 WeakPolarHBondContact O-CB 3.36Å; D419-T422 PolarHBondContact O-N 3.44Å; D419-T422 VanDerWaalsContact O-N 3.16Å; D419-T422 PolarHBondContact O-OG1 3.01Å
420	N	92.8	Very high	92.7	Very high	77 Å²	77	38.8 Å²	38.8	41%	0.412	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	128.7	-178.5	-65.1	30.2	0	0	0	113.2	R396 T422 M443 E445	R396-N420 PolarHBondContact NH1-O 3.21Å; R396-N420 VanDerWaalsContact NH1-O 3.08Å; N420-T422 VanDerWaalsContact C-N 3.3Å; N420-M443 WeakPolarHBondContact OD1-CE 3.36Å; N420-E445 CarbonylContact C-O 3.37Å; N420-E445 HydrophobicContact CB-CB 3.86Å; N420-E445 WeakPolarHBondContact ND2-CB 3.11Å
421	G	89.4	Confident	92.5	Very high	7 Å²	7	40.2 Å²	40.2	7%	0.072	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	32	-176.6	0	0	0	0	0	113.1	R396 D419 F423 Q424 E445	R396-G421 PolarHBondContact NH1-O 2.88Å; D419-G421 PolarHBondContact O-N 2.8Å; G421-F423 PolarHBondContact O-N 3.13Å; G421-Q424 VanDerWaalsContact O-CB 3.26Å; G421-Q424 WeakPolarHBondContact O-CB 3.33Å; G421-Q424 PolarHBondContact O-N 3.2Å; G421-E445 PolarHBondContact N-O 3.44Å
422	T	92.3	Very high	92.6	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-31.5	173.5	-73.7	0	0	0	0	112.4	V394 R396 L399 V418 D419 N420 Q426	V394-T422 HydrophobicContact CG1-CG2 3.79Å; R396-T422 VanDerWaalsContact CA-OG1 3.31Å; R396-T422 WeakPolarHBondContact CA-OG1 3.47Å; R396-T422 PolarHBondContact N-OG1 2.97Å; L399-T422 HydrophobicContact CB-CG2 4.5Å; L399-T422 HydrophobicContact CD1-CG2 3.9Å; L399-T422 HydrophobicContact CG-CG2 4.46Å; V418-T422 HydrophobicContact CG1-CG2 4.22Å; D419-T422 WeakPolarHBondContact CB-OG1 3.47Å; D419-T422 WeakPolarHBondContact O-CB 3.36Å; D419-T422 PolarHBondContact O-N 3.44Å; D419-T422 VanDerWaalsContact O-N 3.16Å; D419-T422 PolarHBondContact O-OG1 3.01Å; N420-T422 VanDerWaalsContact C-N 3.3Å; T422-Q426 PolarHBondContact O-OE1 2.94Å
423	F	93.6	Very high	92.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	14.5	177.6	-56	-62.5	0	0	0	114.3	L399 L408 V418 G421 N425 Q426 L432 M446 V448 G449 L450	L399-F423 HydrophobicContact CD1-CD1 3.64Å; L399-F423 HydrophobicContact CD1-CE1 3.39Å; L399-F423 HydrophobicContact CD1-CZ 4.47Å; L408-F423 HydrophobicContact CD2-CE1 3.79Å; V418-F423 HydrophobicContact CG1-CE2 4.05Å; V418-F423 HydrophobicContact CG1-CZ 4.48Å; G421-F423 PolarHBondContact O-N 3.13Å; F423-N425 PolarHBondContact O-N 3.18Å; F423-Q426 VanDerWaalsContact CA-OE1 3.23Å; F423-Q426 HydrophobicContact CB-CB 4.22Å; F423-Q426 HydrophobicContact CD1-CG 4.4Å; F423-Q426 WeakPolarHBondContact O-CB 3.47Å; F423-Q426 PolarHBondContact O-N 3.36Å; F423-Q426 PolarHBondContact O-OE1 3.48Å; F423-L432 HydrophobicContact CE2-CD2 4.16Å; F423-L432 HydrophobicContact CZ-CD1 4.41Å; F423-L432 HydrophobicContact CZ-CD2 4.06Å; F423-M446 WeakPolarHBondContact CD2-O 3.44Å; F423-V448 CarbonylContact C-O 3.6Å; F423-G449 WeakPolarHBondContact O-CA 3.4Å; F423-L450 HydrophobicContact CB-CD1 4.11Å; F423-L450 HydrophobicContact CB-CD2 3.61Å; F423-L450 HydrophobicContact CB-CG 3.59Å; F423-L450 HydrophobicContact CD1-CD2 4.24Å; F423-L450 HydrophobicContact CD2-CD1 3.7Å; F423-L450 HydrophobicContact CD2-CG 4.17Å; F423-L450 HydrophobicContact CE2-CD1 4.3Å; F423-L450 HydrophobicContact CG-CD1 3.93Å; F423-L450 HydrophobicContact CG-CD2 3.89Å; F423-L450 HydrophobicContact CG-CG 3.95Å
424	Q	88.4	Confident	92.7	Very high	91 Å²	91	39.6 Å²	39.6	43%	0.425	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.8	-167.8	-172.1	163.4	14.5	0	0	114.9	R396 G421 V448	R396-Q424 VanDerWaalsContact CZ-OE1 3.3Å; G421-Q424 VanDerWaalsContact O-CB 3.26Å; G421-Q424 WeakPolarHBondContact O-CB 3.33Å; G421-Q424 PolarHBondContact O-N 3.2Å; Q424-V448 WeakPolarHBondContact CA-O 3.19Å; Q424-V448 HydrophobicContact CG-CG1 4.21Å; Q424-V448 PolarHBondContact N-O 2.62Å; Q424-V448 VanDerWaalsContact N-O 3.1Å
425	N	86.4	Confident	92.6	Very high	90 Å²	90	37.2 Å²	37.2	48%	0.481	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	18.8	178.1	-63.4	-14.8	0	0	0	112.6	F423	F423-N425 PolarHBondContact O-N 3.18Å
426	Q	91.4	Very high	92.5	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.014	21%	0.205	C	C	.	.			trans	-103	50.1	-175.6	-80.3	60.3	42.9	0	0	111.3	L399 Y402 T422 F423 E428 L429 L450	L399-Q426 PolarHBondContact O-NE2 3.46Å; Y402-Q426 PolarHBondContact O-NE2 2.97Å; T422-Q426 PolarHBondContact O-OE1 2.94Å; F423-Q426 VanDerWaalsContact CA-OE1 3.23Å; F423-Q426 HydrophobicContact CB-CB 4.22Å; F423-Q426 HydrophobicContact CD1-CG 4.4Å; F423-Q426 WeakPolarHBondContact O-CB 3.47Å; F423-Q426 PolarHBondContact O-N 3.36Å; F423-Q426 PolarHBondContact O-OE1 3.48Å; Q426-E428 VanDerWaalsContact C-N 3.27Å; Q426-E428 PolarHBondContact O-N 3.3Å; Q426-L429 HydrophobicContact CB-CB 4.32Å; Q426-L429 WeakPolarHBondContact O-CB 3.27Å; Q426-L429 PolarHBondContact O-N 2.74Å; Q426-L450 HydrophobicContact CB-CD2 4Å
427	S	89.9	Confident	92.6	Very high	51 Å²	51	35.7 Å²	35.7	36%	0.357	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25.8	-176.3	58.5	0	0	0	0	114	L429 N452	S427-L429 VanDerWaalsContact C-N 3.33Å; S427-N452 WeakPolarHBondContact O-CB 3.24Å; S427-N452 PolarHBondContact O-ND2 3.05Å
428	E	90	Very high	92.8	Very high	95 Å²	95	36.8 Å²	36.8	44%	0.444	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.5	-179.7	-57.3	-52.5	118.3	0	0	113.6	L405 N406 Q426 R430	L405-E428 CarbonylContact O-C 3.59Å; L405-E428 VanDerWaalsContact O-C 3.3Å; N406-E428 WeakPolarHBondContact CA-O 3.42Å; N406-E428 PolarHBondContact ND2-O 2.81Å; Q426-E428 VanDerWaalsContact C-N 3.27Å; Q426-E428 PolarHBondContact O-N 3.3Å; E428-R430 PolarHBondContact O-N 3.43Å
429	L	92.6	Very high	92.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.			trans	-71.3	122.1	-175.9	-160	78.9	0	0	0	110.2	L405 L408 Q426 S427 L432 L450 N452 L453	L405-L429 HydrophobicContact CB-CD1 4.32Å; L405-L429 HydrophobicContact CD2-CD1 3.99Å; L405-L429 HydrophobicContact CG-CD1 3.86Å; L405-L429 VanDerWaalsContact O-CA 3.28Å; L405-L429 WeakPolarHBondContact O-CA 3.19Å; L405-L429 PolarHBondContact O-N 3.38Å; L405-L429 VanDerWaalsContact O-N 3.1Å; L408-L429 HydrophobicContact CB-CD1 3.85Å; L408-L429 HydrophobicContact CB-CD2 4.28Å; Q426-L429 HydrophobicContact CB-CB 4.32Å; Q426-L429 WeakPolarHBondContact O-CB 3.27Å; Q426-L429 PolarHBondContact O-N 2.74Å; S427-L429 VanDerWaalsContact C-N 3.33Å; L429-L432 HydrophobicContact CD2-CB 4.11Å; L429-L432 HydrophobicContact CD2-CD1 4.38Å; L429-L432 HydrophobicContact CD2-CD2 4.46Å; L429-L450 HydrophobicContact CB-CD2 3.9Å; L429-L450 HydrophobicContact CD2-CD2 3.49Å; L429-L450 VanDerWaalsContact CD2-CD2 3.49Å; L429-L450 HydrophobicContact CG-CD2 4.3Å; L429-N452 CarbonylContact O-C 3.48Å; L429-N452 VanDerWaalsContact O-C 3.23Å; L429-L453 HydrophobicContact CB-CD1 4.42Å; L429-L453 HydrophobicContact CD2-CD1 4.01Å; L429-L453 HydrophobicContact CG-CD1 4.05Å; L429-L453 VanDerWaalsContact O-CA 3.25Å; L429-L453 WeakPolarHBondContact O-CA 3.26Å; L429-L453 PolarHBondContact O-N 2.56Å; L429-L453 VanDerWaalsContact O-N 3.16Å
430	R	90.9	Very high	92.9	Very high	70 Å²	70	38 Å²	38	26%	0.264	18%	0.184	S	C	.	.			trans	-109	-35.6	178.6	-73.8	-176.7	-174.6	-143	7.3	113.1	R232 N406 E428 N452 L453 E454 Y455	R232-R430 PolarHBondContact O-NH1 3.26Å; N406-R430 WeakPolarHBondContact ND2-CD 3.32Å; N406-R430 WeakPolarHBondContact ND2-CG 3.33Å; N406-R430 PolarHBondContact O-N 3.05Å; E428-R430 PolarHBondContact O-N 3.43Å; R430-N452 WeakPolarHBondContact CG-O 3.47Å; R430-L453 WeakPolarHBondContact O-CD1 3.31Å; R430-E454 WeakPolarHBondContact CD-OE1 3.28Å; R430-E454 IonicContact CZ-OE1 2.82Å; R430-E454 IonicContact NE-OE1 2.7Å; R430-E454 IonicContact NH1-OE1 3.55Å; R430-E454 PolarHBondContact NH1-OE1 3.26Å; R430-E454 PolarHBondContact O-N 3.05Å; R430-Y455 PolarHBondContact O-N 2.85Å
431	W	91.6	Very high	93.1	Very high	30 Å²	30	36.6 Å²	36.6	11%	0.114	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.6	-179.8	-66.5	-92.2	0	0	0	111.2	L235 I236 N406 L407 L408 Y433 Y455	L235-W431 HydrophobicContact CD1-CZ2 4.03Å; I236-W431 WeakPolarHBondContact O-CZ2 3.43Å; I236-W431 PolarHBondContact O-NE1 3.27Å; N406-W431 PolarHBondContact O-N 2.92Å; N406-W431 VanDerWaalsContact OD1-CZ3 3.26Å; N406-W431 WeakPolarHBondContact OD1-CZ3 3.35Å; L407-W431 HydrophobicContact CB-CB 4.4Å; L407-W431 HydrophobicContact CD1-CB 3.88Å; L407-W431 HydrophobicContact CD1-CD2 4.42Å; L407-W431 HydrophobicContact CD1-CG 4.16Å; L407-W431 HydrophobicContact CG-CB 3.88Å; L408-W431 PolarHBondContact N-O 3.42Å; W431-Y433 HydrophobicContact CB-CE2 3.91Å; W431-Y455 AromaticContact CD1-CG 3.95Å
432	L	95.6	Very high	93.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	113.7	174.1	179	56	0	0	0	110.2	L408 F423 L429 M434 L450 L453 Y455 L456 S457	L408-L432 HydrophobicContact CB-CD1 4.06Å; L408-L432 HydrophobicContact CD2-CD1 3.98Å; L408-L432 HydrophobicContact CG-CD1 3.99Å; L408-L432 WeakPolarHBondContact O-CA 3.02Å; F423-L432 HydrophobicContact CE2-CD2 4.16Å; F423-L432 HydrophobicContact CZ-CD1 4.41Å; F423-L432 HydrophobicContact CZ-CD2 4.06Å; L429-L432 HydrophobicContact CD2-CB 4.11Å; L429-L432 HydrophobicContact CD2-CD1 4.38Å; L429-L432 HydrophobicContact CD2-CD2 4.46Å; L432-M434 HydrophobicContact CD1-CG 3.99Å; L432-M434 HydrophobicContact CD1-SD 4.27Å; L432-M434 HydrophobicContact CD2-CE 3.85Å; L432-M434 HydrophobicContact CD2-SD 4.35Å; L432-M434 HydrophobicContact CG-CE 4.14Å; L432-M434 HydrophobicContact CG-CG 4.18Å; L432-M434 HydrophobicContact CG-SD 4.39Å; L432-L450 HydrophobicContact CD2-CD1 3.81Å; L432-L453 HydrophobicContact CB-CD1 3.72Å; L432-L453 HydrophobicContact CB-CD2 4.11Å; L432-Y455 PolarHBondContact N-O 3.45Å; L432-Y455 VanDerWaalsContact N-O 3.1Å; L432-L456 HydrophobicContact CB-CD1 4.12Å; L432-L456 HydrophobicContact CD2-CD1 4.01Å; L432-L456 HydrophobicContact CG-CD1 3.96Å; L432-S457 PolarHBondContact O-N 3.04Å
433	Y	95.4	Very high	93.5	Very high	7 Å²	7	38.8 Å²	38.8	3%	0.027	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.9	174	-54.6	-97.5	0	0	0	109.2	E210 R238 L407 L408 D409 L410 W431 Y455	E210-Y433 PolarHBondContact OE1-OH 3.07Å; R238-Y433 HydrophobicContact CG-CE2 4.26Å; L407-Y433 HydrophobicContact CD1-CE2 4.24Å; L407-Y433 HydrophobicContact CG-CE2 4.35Å; L408-Y433 PolarHBondContact O-N 3.27Å; D409-Y433 HydrophobicContact CB-CD2 4.19Å; L410-Y433 WeakPolarHBondContact CA-O 3.39Å; L410-Y433 WeakPolarHBondContact CB-O 3.29Å; L410-Y433 PolarHBondContact N-O 3.15Å; W431-Y433 HydrophobicContact CB-CE2 3.91Å; Y433-Y455 AromaticContact CD1-CE1 3.77Å; Y433-Y455 HydrophobicContact CD1-CE1 3.77Å; Y433-Y455 HydrophobicContact CE1-CD1 4.14Å; Y433-Y455 AromaticContact CE1-CE1 3.3Å; Y433-Y455 HydrophobicContact CE1-CE1 3.3Å; Y433-Y455 AromaticContact CE1-CZ 3.68Å; Y433-Y455 AromaticContact CZ-CE1 3.8Å
434	M	96.1	Very high	93.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.195	C	C	.	.			trans	-134.6	27.2	171.9	-63.5	-171.2	-64.1	0	0	110.3	L410 L432 N437 L439 F447 L456 S457 L458 N461	L410-M434 HydrophobicContact CB-CG 4.29Å; L410-M434 HydrophobicContact CD1-CG 4.38Å; L432-M434 HydrophobicContact CD1-CG 3.99Å; L432-M434 HydrophobicContact CD1-SD 4.27Å; L432-M434 HydrophobicContact CD2-CE 3.85Å; L432-M434 HydrophobicContact CD2-SD 4.35Å; L432-M434 HydrophobicContact CG-CE 4.14Å; L432-M434 HydrophobicContact CG-CG 4.18Å; L432-M434 HydrophobicContact CG-SD 4.39Å; M434-N437 PolarHBondContact O-ND2 3.12Å; M434-L439 HydrophobicContact CB-CD1 4.34Å; M434-L439 HydrophobicContact CE-CD1 4.37Å; M434-L439 HydrophobicContact SD-CD1 4.46Å; M434-F447 HydrophobicContact CE-CE1 3.74Å; M434-F447 HydrophobicContact CE-CZ 4.28Å; M434-L456 HydrophobicContact CE-CD1 4.11Å; M434-S457 CarbonylContact C-O 3.02Å; M434-S457 WeakPolarHBondContact CA-O 3.27Å; M434-S457 PolarHBondContact N-O 2.98Å; M434-L458 HydrophobicContact CB-CD2 4.15Å; M434-L458 HydrophobicContact CE-CD2 3.82Å; M434-N461 PolarHBondContact O-ND2 2.77Å
435	D	94.8	Very high	93.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.195	C	C	.	.			trans	-62	158.3	175.4	64.6	-75.8	0	0	0	112.2	R387 G411 G412 N437 S457 E459	R387-D435 IonicContact CZ-OD1 3.85Å; R387-D435 IonicContact CZ-OD2 3.61Å; R387-D435 IonicContact NH1-OD1 2.79Å; R387-D435 IonicContact NH2-OD1 3.97Å; R387-D435 PolarHBondContact NH2-OD1 3.48Å; R387-D435 IonicContact NH2-OD2 3.86Å; R387-D435 PolarHBondContact NH2-OD2 2.86Å; G411-D435 CarbonylContact C-O 3.2Å; G411-D435 VanDerWaalsContact CA-O 3.25Å; G411-D435 WeakPolarHBondContact CA-O 3.43Å; G412-D435 PolarHBondContact N-O 3.07Å; D435-N437 VanDerWaalsContact C-N 3.29Å; D435-N437 PolarHBondContact O-N 3.5Å; D435-N437 PolarHBondContact O-ND2 3Å; D435-S457 PolarHBondContact N-O 2.83Å; D435-E459 CarbonylContact C-O 3.58Å; D435-E459 VanDerWaalsContact CA-O 3.24Å; D435-E459 WeakPolarHBondContact CA-O 3.46Å; D435-E459 HydrophobicContact CB-CG 3.66Å
436	K	93.4	Very high	94.2	Very high	84 Å²	84	35.7 Å²	35.7	37%	0.365	17%	0.173	S	C	.	.	S	Bend	trans	54.5	46.2	171.6	-59.1	166.6	-168.2	127.9	0	111.9	G412 N413 E459 Y460	G412-K436 VanDerWaalsContact CA-O 3.32Å; G412-K436 WeakPolarHBondContact CA-O 3.49Å; G412-K436 PolarHBondContact N-O 3.42Å; N413-K436 PolarHBondContact N-O 2.72Å; K436-E459 PolarHBondContact N-O 3.39Å; K436-Y460 VanDerWaalsContact CA-O 3.22Å; K436-Y460 WeakPolarHBondContact CA-O 3.28Å; K436-Y460 HydrophobicContact CG-CD2 4.37Å; K436-Y460 HydrophobicContact CG-CG 4.35Å; K436-Y460 PolarHBondContact N-O 3.48Å
437	N	97.2	Very high	94.4	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.027	17%	0.173	C	C	.	.	S	Bend	trans	-123.7	-164.7	177.2	-86.4	-84.6	0	0	0	109.5	L410 N413 I415 M434 D435 Y460 N461	L410-N437 PolarHBondContact O-ND2 3.36Å; N413-N437 WeakPolarHBondContact CA-OD1 3.22Å; N413-N437 WeakPolarHBondContact CB-OD1 3.28Å; N413-N437 PolarHBondContact O-OD1 3.45Å; N413-N437 VanDerWaalsContact O-OD1 3.13Å; I415-N437 HydrophobicContact CB-CB 4.36Å; I415-N437 WeakPolarHBondContact CB-OD1 2.93Å; I415-N437 VanDerWaalsContact CG1-OD1 3.24Å; I415-N437 WeakPolarHBondContact CG1-OD1 3.27Å; I415-N437 PolarHBondContact N-OD1 3.26Å; M434-N437 PolarHBondContact O-ND2 3.12Å; D435-N437 VanDerWaalsContact C-N 3.29Å; D435-N437 PolarHBondContact O-N 3.5Å; D435-N437 PolarHBondContact O-ND2 3Å; N437-Y460 PolarHBondContact N-O 2.88Å; N437-N461 WeakPolarHBondContact CA-OD1 3.41Å; N437-N461 WeakPolarHBondContact CB-OD1 3.25Å; N437-N461 WeakPolarHBondContact O-CA 3.46Å; N437-N461 PolarHBondContact O-OD1 2.9Å
438	Y	97	Very high	94.6	Very high	100 Å²	100	35.7 Å²	35.7	39%	0.392	17%	0.171	S	C	.	.			trans	-129.9	35.8	-174.5	-57	-98.5	0	0	0	111.5	N414 I415 N461 D462	N414-Y438 HydrophobicContact CB-CE2 4.35Å; N414-Y438 WeakPolarHBondContact OD1-CE2 3.41Å; I415-Y438 CarbonylContact O-C 3.49Å; I415-Y438 WeakPolarHBondContact O-CA 3.49Å; I415-Y438 PolarHBondContact O-N 3.22Å; Y438-N461 PolarHBondContact N-OD1 2.94Å; Y438-D462 WeakPolarHBondContact CD1-OD2 3.32Å
439	L	96.9	Very high	94.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	16%	0.157	C	C	.	.			trans	-66.5	135.2	174.6	-64.1	172.4	0	0	0	109.8	I415 V418 M434 M446 L458 N461 D462 I463	I415-L439 HydrophobicContact CG2-CD2 3.98Å; I415-L439 PolarHBondContact O-N 2.88Å; V418-L439 HydrophobicContact CG2-CD2 4.22Å; M434-L439 HydrophobicContact CB-CD1 4.34Å; M434-L439 HydrophobicContact CE-CD1 4.37Å; M434-L439 HydrophobicContact SD-CD1 4.46Å; L439-M446 HydrophobicContact CD2-CE 4.33Å; L439-L458 HydrophobicContact CD1-CD2 3.63Å; L439-N461 HydrophobicContact CB-CB 4.49Å; L439-N461 WeakPolarHBondContact CB-OD1 3.11Å; L439-N461 WeakPolarHBondContact CG-OD1 3.46Å; L439-N461 PolarHBondContact N-OD1 2.98Å; L439-N461 VanDerWaalsContact N-OD1 3.08Å; L439-D462 CarbonylContact O-C 3.56Å; L439-D462 WeakPolarHBondContact O-CA 3.3Å; L439-D462 PolarHBondContact O-N 3.09Å; L439-I463 HydrophobicContact CB-CG1 4.1Å; L439-I463 WeakPolarHBondContact O-CA 3.27Å; L439-I463 VanDerWaalsContact O-CG1 3.27Å; L439-I463 WeakPolarHBondContact O-CG1 3.43Å; L439-I463 PolarHBondContact O-N 3.29Å
440	D	95.6	Very high	94.7	Very high	82 Å²	82	31.9 Å²	31.9	44%	0.439	16%	0.157	S	C	.	.			trans	-110.4	-36.3	-174.9	68.2	-27.1	0	0	0	113.5	I463 Q464 L465	D440-I463 WeakPolarHBondContact O-CA 3.35Å; D440-Q464 PolarHBondContact O-N 2.93Å; D440-L465 PolarHBondContact O-N 3.31Å
441	T	95.8	Very high	94.8	Very high	47 Å²	47	31.9 Å²	31.9	29%	0.288	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.1	-177.6	-54.9	0	0	0	0	111.1	L465 V467	T441-L465 CarbonylContact C-O 3.57Å; T441-L465 VanDerWaalsContact CA-O 3.32Å; T441-L465 WeakPolarHBondContact CA-O 3.35Å; T441-L465 HydrophobicContact CG2-CB 4.23Å; T441-L465 HydrophobicContact CG2-CD2 4.17Å; T441-L465 HydrophobicContact CG2-CG 4.27Å; T441-V467 HydrophobicContact CG2-CG2 4.3Å
442	L	96.7	Very high	94.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.2	171.6	-55.5	-173.9	0	0	0	111.2	M446 F447 L458 I463 L465 I466 V467 A470 F471 L482	L442-M446 HydrophobicContact CD2-CE 4.32Å; L442-F447 HydrophobicContact CB-CE2 4.37Å; L442-F447 HydrophobicContact CD2-CE2 4.33Å; L442-F447 HydrophobicContact CD2-CZ 4.17Å; L442-L458 HydrophobicContact CD1-CD1 3.73Å; L442-L458 HydrophobicContact CD2-CD1 4.41Å; L442-L458 HydrophobicContact CD2-CD2 4.41Å; L442-I463 HydrophobicContact CD1-CD1 4.19Å; L442-I463 HydrophobicContact CD1-CG2 4.42Å; L442-I463 HydrophobicContact CD2-CD1 4.06Å; L442-I463 HydrophobicContact CG-CD1 4.23Å; L442-I463 HydrophobicContact CG-CG2 3.95Å; L442-L465 PolarHBondContact N-O 2.32Å; L442-I466 HydrophobicContact CB-CG1 4.3Å; L442-I466 HydrophobicContact CB-CG2 4.47Å; L442-I466 HydrophobicContact CD1-CD1 4.18Å; L442-I466 HydrophobicContact CD1-CG1 4.04Å; L442-I466 HydrophobicContact CG-CG1 4.33Å; L442-V467 WeakPolarHBondContact O-CB 3.4Å; L442-V467 WeakPolarHBondContact O-CG2 3.36Å; L442-V467 PolarHBondContact O-N 3.47Å; L442-A470 HydrophobicContact CB-CB 4.32Å; L442-F471 HydrophobicContact CD1-CE1 3.86Å; L442-F471 HydrophobicContact CD1-CZ 3.7Å; L442-L482 HydrophobicContact CD1-CD2 4.18Å
443	M	95.2	Very high	94.9	Very high	55 Å²	55	33.3 Å²	33.3	27%	0.271	18%	0.175	S	C	.	.			trans	-134.6	149.3	176.3	61.2	-176.1	159.8	0	0	111	N420 E445 M446 V467	N420-M443 WeakPolarHBondContact OD1-CE 3.36Å; M443-E445 PolarHBondContact O-N 2.4Å; M443-M446 HydrophobicContact CE-CG 3.71Å; M443-M446 HydrophobicContact CE-SD 4.07Å; M443-M446 HydrophobicContact CG-CG 3.63Å; M443-M446 HydrophobicContact CG-SD 3.67Å; M443-M446 PolarHBondContact N-SD 2.75Å; M443-M446 WeakPolarHBondContact O-CB 3.08Å; M443-M446 PolarHBondContact O-N 3.3Å; M443-V467 HydrophobicContact CB-CB 4.34Å; M443-V467 HydrophobicContact CB-CG2 4.12Å
444	A	94.5	Very high	94.7	Very high	20 Å²	20	33.9 Å²	33.9	17%	0.165	18%	0.178	C	C	.	.	H	α-helix	trans	-57.6	-36.8	-173.4	0	0	0	0	0	112	M446 F447 V448 G469 P473	A444-M446 PolarHBondContact O-N 3.44Å; A444-M446 VanDerWaalsContact O-N 3.16Å; A444-F447 PolarHBondContact O-N 3.14Å; A444-V448 PolarHBondContact O-N 3.18Å; A444-G469 WeakPolarHBondContact CB-O 3.33Å; A444-P473 HydrophobicContact CB-CG 4.18Å; A444-P473 WeakPolarHBondContact O-CG 3.32Å
445	E	93.6	Very high	94.6	Very high	92 Å²	92	34 Å²	34	43%	0.43	18%	0.178	S	C	.	.	H	α-helix	trans	-59.4	-25.9	179.2	-63.3	82.9	173.7	0	0	113.3	N420 G421 M443 F447	N420-E445 CarbonylContact C-O 3.37Å; N420-E445 HydrophobicContact CB-CB 3.86Å; N420-E445 WeakPolarHBondContact ND2-CB 3.11Å; G421-E445 PolarHBondContact N-O 3.44Å; M443-E445 PolarHBondContact O-N 2.4Å; E445-F447 VanDerWaalsContact C-N 3.33Å
446	M	94.4	Very high	94.6	Very high	5 Å²	5	34 Å²	34	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-41.4	174.3	-66.3	162.1	75.4	0	0	110.9	V418 F423 L439 L442 M443 A444	V418-M446 HydrophobicContact CB-CE 3.9Å; V418-M446 HydrophobicContact CB-CG 4.39Å; V418-M446 HydrophobicContact CG2-CE 4.09Å; F423-M446 WeakPolarHBondContact CD2-O 3.44Å; L439-M446 HydrophobicContact CD2-CE 4.33Å; L442-M446 HydrophobicContact CD2-CE 4.32Å; M443-M446 HydrophobicContact CE-CG 3.71Å; M443-M446 HydrophobicContact CE-SD 4.07Å; M443-M446 HydrophobicContact CG-CG 3.63Å; M443-M446 HydrophobicContact CG-SD 3.67Å; M443-M446 PolarHBondContact N-SD 2.75Å; M443-M446 WeakPolarHBondContact O-CB 3.08Å; M443-M446 PolarHBondContact O-N 3.3Å; A444-M446 PolarHBondContact O-N 3.44Å; A444-M446 VanDerWaalsContact O-N 3.16Å
447	F	94.9	Very high	94.8	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-98.6	-1.3	-168.4	-58.1	-73.2	0	0	0	114.8	M434 L442 A444 E445 G449 L450 L456 A470 P473 M474	M434-F447 HydrophobicContact CE-CE1 3.74Å; M434-F447 HydrophobicContact CE-CZ 4.28Å; L442-F447 HydrophobicContact CB-CE2 4.37Å; L442-F447 HydrophobicContact CD2-CE2 4.33Å; L442-F447 HydrophobicContact CD2-CZ 4.17Å; A444-F447 PolarHBondContact O-N 3.14Å; E445-F447 VanDerWaalsContact C-N 3.33Å; F447-G449 PolarHBondContact O-N 3.35Å; F447-G449 VanDerWaalsContact O-N 3.15Å; F447-L450 HydrophobicContact CB-CD1 4.22Å; F447-L450 HydrophobicContact CD1-CD1 3.89Å; F447-L450 WeakPolarHBondContact O-CB 3.44Å; F447-L450 WeakPolarHBondContact O-CG 3.39Å; F447-L450 PolarHBondContact O-N 3.12Å; F447-L456 HydrophobicContact CE1-CD2 4.19Å; F447-A470 WeakPolarHBondContact CD2-O 3.4Å; F447-P473 HydrophobicContact CB-CB 4.45Å; F447-P473 HydrophobicContact CB-CG 4.38Å; F447-M474 HydrophobicContact CB-CE 3.82Å; F447-M474 HydrophobicContact CB-CG 4.42Å; F447-M474 HydrophobicContact CB-SD 3.96Å; F447-M474 HydrophobicContact CD1-CE 3.9Å; F447-M474 HydrophobicContact CD1-SD 3.95Å; F447-M474 HydrophobicContact CD2-CE 4.16Å; F447-M474 HydrophobicContact CG-CE 3.69Å; F447-M474 HydrophobicContact CG-SD 4.12Å
448	V	93.5	Very high	94.8	Very high	53 Å²	53	29.9 Å²	29.9	32%	0.321	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	122.1	176.9	170.6	0	0	0	0	111	F423 Q424 A444 P473	F423-V448 CarbonylContact C-O 3.6Å; Q424-V448 WeakPolarHBondContact CA-O 3.19Å; Q424-V448 HydrophobicContact CG-CG1 4.21Å; Q424-V448 PolarHBondContact N-O 2.62Å; Q424-V448 VanDerWaalsContact N-O 3.1Å; A444-V448 PolarHBondContact O-N 3.18Å; V448-P473 HydrophobicContact CG2-CG 4.36Å
449	G	90.1	Very high	94.5	Very high	14 Å²	14	26.4 Å²	26.4	14%	0.144	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.7	-14.3	177.1	0	0	0	0	0	115.2	F423 F447 V451	F423-G449 WeakPolarHBondContact O-CA 3.4Å; F447-G449 PolarHBondContact O-N 3.35Å; F447-G449 VanDerWaalsContact O-N 3.15Å; G449-V451 PolarHBondContact O-N 3.42Å
450	L	94.8	Very high	94.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.			trans	-79.7	48.9	-178.1	-65.9	-179.1	0	0	0	113.9	F423 Q426 L429 L432 F447 N452 L453 M474	F423-L450 HydrophobicContact CB-CD1 4.11Å; F423-L450 HydrophobicContact CB-CD2 3.61Å; F423-L450 HydrophobicContact CB-CG 3.59Å; F423-L450 HydrophobicContact CD1-CD2 4.24Å; F423-L450 HydrophobicContact CD2-CD1 3.7Å; F423-L450 HydrophobicContact CD2-CG 4.17Å; F423-L450 HydrophobicContact CE2-CD1 4.3Å; F423-L450 HydrophobicContact CG-CD1 3.93Å; F423-L450 HydrophobicContact CG-CD2 3.89Å; F423-L450 HydrophobicContact CG-CG 3.95Å; Q426-L450 HydrophobicContact CB-CD2 4Å; L429-L450 HydrophobicContact CB-CD2 3.9Å; L429-L450 HydrophobicContact CD2-CD2 3.49Å; L429-L450 VanDerWaalsContact CD2-CD2 3.49Å; L429-L450 HydrophobicContact CG-CD2 4.3Å; L432-L450 HydrophobicContact CD2-CD1 3.81Å; F447-L450 HydrophobicContact CB-CD1 4.22Å; F447-L450 HydrophobicContact CD1-CD1 3.89Å; F447-L450 WeakPolarHBondContact O-CB 3.44Å; F447-L450 WeakPolarHBondContact O-CG 3.39Å; F447-L450 PolarHBondContact O-N 3.12Å; L450-N452 VanDerWaalsContact C-N 3.32Å; L450-N452 PolarHBondContact O-N 3.49Å; L450-L453 HydrophobicContact CB-CB 4.17Å; L450-L453 HydrophobicContact CD1-CD2 4.34Å; L450-L453 WeakPolarHBondContact O-CB 3.33Å; L450-L453 PolarHBondContact O-N 2.98Å; L450-M474 HydrophobicContact CB-CG 3.64Å; L450-M474 HydrophobicContact CB-SD 4.03Å; L450-M474 HydrophobicContact CD1-SD 3.86Å; L450-M474 WeakPolarHBondContact O-CG 3.45Å
451	V	93.5	Very high	94.4	Very high	70 Å²	70	28.3 Å²	28.3	42%	0.424	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-34.9	-168.2	-177.4	0	0	0	0	113.2	G449 P475 N476	G449-V451 PolarHBondContact O-N 3.42Å; V451-P475 HydrophobicContact CG1-CG 4.21Å; V451-N476 PolarHBondContact O-ND2 3.13Å
452	N	93.5	Very high	94.4	Very high	60 Å²	60	29.2 Å²	29.2	32%	0.321	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	18.4	-179.7	-60.8	-46.3	0	0	0	113.6	S427 L429 R430 L450 E454	S427-N452 WeakPolarHBondContact O-CB 3.24Å; S427-N452 PolarHBondContact O-ND2 3.05Å; L429-N452 CarbonylContact O-C 3.48Å; L429-N452 VanDerWaalsContact O-C 3.23Å; R430-N452 WeakPolarHBondContact CG-O 3.47Å; L450-N452 VanDerWaalsContact C-N 3.32Å; L450-N452 PolarHBondContact O-N 3.49Å; N452-E454 PolarHBondContact O-N 3.15Å
453	L	95.1	Very high	94.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.			trans	-68	125.5	177.7	-161	80.9	0	0	0	110.2	L429 R430 L432 L450 L456 M474 N476 L477	L429-L453 HydrophobicContact CB-CD1 4.42Å; L429-L453 HydrophobicContact CD2-CD1 4.01Å; L429-L453 HydrophobicContact CG-CD1 4.05Å; L429-L453 VanDerWaalsContact O-CA 3.25Å; L429-L453 WeakPolarHBondContact O-CA 3.26Å; L429-L453 PolarHBondContact O-N 2.56Å; L429-L453 VanDerWaalsContact O-N 3.16Å; R430-L453 WeakPolarHBondContact O-CD1 3.31Å; L432-L453 HydrophobicContact CB-CD1 3.72Å; L432-L453 HydrophobicContact CB-CD2 4.11Å; L450-L453 HydrophobicContact CB-CB 4.17Å; L450-L453 HydrophobicContact CD1-CD2 4.34Å; L450-L453 WeakPolarHBondContact O-CB 3.33Å; L450-L453 PolarHBondContact O-N 2.98Å; L453-L456 HydrophobicContact CD2-CB 3.94Å; L453-L456 HydrophobicContact CD2-CD1 4.36Å; L453-L456 HydrophobicContact CD2-CD2 4.47Å; L453-L456 HydrophobicContact CD2-CG 4.49Å; L453-M474 HydrophobicContact CB-CB 4.47Å; L453-M474 HydrophobicContact CB-CG 4.29Å; L453-M474 HydrophobicContact CB-SD 4.32Å; L453-M474 HydrophobicContact CD2-CG 4.44Å; L453-M474 HydrophobicContact CD2-SD 3.42Å; L453-M474 WeakPolarHBondContact CD2-SD 3.22Å; L453-M474 HydrophobicContact CG-SD 4.48Å; L453-N476 CarbonylContact O-C 3.46Å; L453-L477 HydrophobicContact CD2-CD1 4.19Å; L453-L477 HydrophobicContact CG-CD1 4.47Å; L453-L477 WeakPolarHBondContact O-CA 3.07Å; L453-L477 PolarHBondContact O-N 3.37Å
454	E	91.9	Very high	94.5	Very high	20 Å²	20	31.9 Å²	31.9	9%	0.093	16%	0.164	C	C	.	.			trans	-106.1	-30.7	-179.5	-64.8	-175	-128.5	0	0	111.8	L235 R430 N452 R478 V479	L235-E454 HydrophobicContact CD1-CB 4.23Å; R430-E454 WeakPolarHBondContact CD-OE1 3.28Å; R430-E454 IonicContact CZ-OE1 2.82Å; R430-E454 IonicContact NE-OE1 2.7Å; R430-E454 IonicContact NH1-OE1 3.55Å; R430-E454 PolarHBondContact NH1-OE1 3.26Å; R430-E454 PolarHBondContact O-N 3.05Å; N452-E454 PolarHBondContact O-N 3.15Å; E454-R478 PolarHBondContact O-N 3.39Å; E454-R478 IonicContact OE2-NH1 3.78Å; E454-V479 PolarHBondContact O-N 2.94Å
455	Y	93.3	Very high	94.6	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.1	-177.1	-178.7	-71.2	0	0	0	111.2	L208 E210 L235 R430 W431 L432 Y433 V479 F481	L208-Y455 HydrophobicContact CD2-CE2 4.35Å; E210-Y455 PolarHBondContact OE2-OH 3.21Å; L235-Y455 HydrophobicContact CD2-CD2 4.45Å; R430-Y455 PolarHBondContact O-N 2.85Å; W431-Y455 AromaticContact CD1-CG 3.95Å; L432-Y455 PolarHBondContact N-O 3.45Å; L432-Y455 VanDerWaalsContact N-O 3.1Å; Y433-Y455 AromaticContact CD1-CE1 3.77Å; Y433-Y455 HydrophobicContact CD1-CE1 3.77Å; Y433-Y455 HydrophobicContact CE1-CD1 4.14Å; Y433-Y455 AromaticContact CE1-CE1 3.3Å; Y433-Y455 HydrophobicContact CE1-CE1 3.3Å; Y433-Y455 AromaticContact CE1-CZ 3.68Å; Y433-Y455 AromaticContact CZ-CE1 3.8Å; Y455-V479 HydrophobicContact CD2-CB 4.11Å; Y455-V479 HydrophobicContact CD2-CG1 4.07Å; Y455-V479 HydrophobicContact CE2-CG1 4.27Å; Y455-F481 HydrophobicContact CE2-CD2 4.33Å; Y455-F481 AromaticContact CE2-CE2 3.8Å; Y455-F481 HydrophobicContact CE2-CE2 3.8Å; Y455-F481 AromaticContact CZ-CE2 3.91Å
456	L	96.6	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	116.7	174.4	-180	54.4	0	0	0	110.8	L432 M434 F447 L453 L458 F471 M474 L477 V479 L480 F481	L432-L456 HydrophobicContact CB-CD1 4.12Å; L432-L456 HydrophobicContact CD2-CD1 4.01Å; L432-L456 HydrophobicContact CG-CD1 3.96Å; M434-L456 HydrophobicContact CE-CD1 4.11Å; F447-L456 HydrophobicContact CE1-CD2 4.19Å; L453-L456 HydrophobicContact CD2-CB 3.94Å; L453-L456 HydrophobicContact CD2-CD1 4.36Å; L453-L456 HydrophobicContact CD2-CD2 4.47Å; L453-L456 HydrophobicContact CD2-CG 4.49Å; L456-L458 HydrophobicContact CD1-CD1 4.27Å; L456-L458 HydrophobicContact CD1-CG 4.12Å; L456-L458 HydrophobicContact CD2-CD1 3.82Å; L456-L458 HydrophobicContact CG-CD1 3.89Å; L456-L458 HydrophobicContact CG-CG 4.1Å; L456-F471 HydrophobicContact CD2-CD1 4.36Å; L456-F471 HydrophobicContact CD2-CE1 4.25Å; L456-M474 HydrophobicContact CD2-CE 3.84Å; L456-M474 HydrophobicContact CD2-SD 4.22Å; L456-L477 HydrophobicContact CB-CD1 3.73Å; L456-L477 HydrophobicContact CB-CD2 4.45Å; L456-V479 PolarHBondContact N-O 2.97Å; L456-L480 HydrophobicContact CB-CD1 4.12Å; L456-L480 HydrophobicContact CD2-CD1 4.01Å; L456-L480 HydrophobicContact CG-CD1 4.03Å; L456-L480 WeakPolarHBondContact O-CA 3.32Å; L456-F481 PolarHBondContact O-N 2.92Å
457	S	96.3	Very high	94.8	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.8	171.3	-174.1	0	0	0	0	111.8	L432 M434 D435	L432-S457 PolarHBondContact O-N 3.04Å; M434-S457 CarbonylContact C-O 3.02Å; M434-S457 WeakPolarHBondContact CA-O 3.27Å; M434-S457 PolarHBondContact N-O 2.98Å; D435-S457 PolarHBondContact N-O 2.83Å
458	L	96.8	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.			trans	-130.5	16	-179.9	-76.4	164.7	0	0	0	111.2	M434 L439 L442 L456 N461 I463 F471 L480 F481 L482 N485	M434-L458 HydrophobicContact CB-CD2 4.15Å; M434-L458 HydrophobicContact CE-CD2 3.82Å; L439-L458 HydrophobicContact CD1-CD2 3.63Å; L442-L458 HydrophobicContact CD1-CD1 3.73Å; L442-L458 HydrophobicContact CD2-CD1 4.41Å; L442-L458 HydrophobicContact CD2-CD2 4.41Å; L456-L458 HydrophobicContact CD1-CD1 4.27Å; L456-L458 HydrophobicContact CD1-CG 4.12Å; L456-L458 HydrophobicContact CD2-CD1 3.82Å; L456-L458 HydrophobicContact CG-CD1 3.89Å; L456-L458 HydrophobicContact CG-CG 4.1Å; L458-N461 PolarHBondContact O-ND2 3.36Å; L458-I463 HydrophobicContact CB-CD1 4.07Å; L458-I463 HydrophobicContact CD2-CD1 4.2Å; L458-F471 HydrophobicContact CD1-CE1 4.39Å; L458-L480 HydrophobicContact CD1-CD1 4.43Å; L458-F481 CarbonylContact C-O 3.26Å; L458-F481 WeakPolarHBondContact CA-O 2.88Å; L458-F481 WeakPolarHBondContact CB-O 3.29Å; L458-F481 PolarHBondContact N-O 2.81Å; L458-L482 HydrophobicContact CB-CD2 3.88Å; L458-L482 HydrophobicContact CD1-CD2 3.88Å; L458-N485 PolarHBondContact O-ND2 3.33Å
459	E	92.2	Very high	94.7	Very high	27 Å²	27	34.3 Å²	34.3	13%	0.126	19%	0.188	C	C	.	.			trans	-65.3	157.9	-179.4	62.6	165	-161.1	0	0	112.9	D435 K436 N461 F481 N483	D435-E459 CarbonylContact C-O 3.58Å; D435-E459 VanDerWaalsContact CA-O 3.24Å; D435-E459 WeakPolarHBondContact CA-O 3.46Å; D435-E459 HydrophobicContact CB-CG 3.66Å; K436-E459 PolarHBondContact N-O 3.39Å; E459-N461 VanDerWaalsContact C-N 3.32Å; E459-N461 PolarHBondContact O-N 2.82Å; E459-N461 PolarHBondContact O-ND2 2.78Å; E459-N461 VanDerWaalsContact O-ND2 3.1Å; E459-F481 HydrophobicContact CB-CB 4.47Å; E459-F481 PolarHBondContact N-O 3.08Å; E459-N483 VanDerWaalsContact CA-O 3.24Å; E459-N483 WeakPolarHBondContact CA-O 3.33Å; E459-N483 WeakPolarHBondContact CB-O 3.26Å; E459-N483 PolarHBondContact OE2-ND2 3.26Å
460	Y	92.7	Very high	94.9	Very high	118 Å²	118	33.7 Å²	33.7	46%	0.463	18%	0.181	S	C	.	.	S	Bend	trans	51.9	47.9	179.9	-61.5	-81.5	0	0	0	113	K436 N437 N483 N484	K436-Y460 VanDerWaalsContact CA-O 3.22Å; K436-Y460 WeakPolarHBondContact CA-O 3.28Å; K436-Y460 HydrophobicContact CG-CD2 4.37Å; K436-Y460 HydrophobicContact CG-CG 4.35Å; K436-Y460 PolarHBondContact N-O 3.48Å; N437-Y460 PolarHBondContact N-O 2.88Å; Y460-N483 PolarHBondContact N-O 3.22Å; Y460-N483 VanDerWaalsContact N-O 3.13Å; Y460-N484 VanDerWaalsContact CA-O 3.3Å; Y460-N484 WeakPolarHBondContact CA-O 3.43Å; Y460-N484 HydrophobicContact CD1-CB 3.53Å; Y460-N484 HydrophobicContact CD2-CB 4.47Å; Y460-N484 HydrophobicContact CE1-CB 3.62Å; Y460-N484 VanDerWaalsContact CE1-CG 3.43Å; Y460-N484 HydrophobicContact CG-CB 3.99Å; Y460-N484 PolarHBondContact N-O 2.93Å; Y460-N484 PolarHBondContact OH-ND2 3.5Å
461	N	96.7	Very high	95	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.032	18%	0.181	C	C	.	.	S	Bend	trans	-115.6	178.3	170.9	-84.7	-100.1	0	0	0	110.4	M434 N437 Y438 L439 L458 E459 I463 N485	M434-N461 PolarHBondContact O-ND2 2.77Å; N437-N461 WeakPolarHBondContact CA-OD1 3.41Å; N437-N461 WeakPolarHBondContact CB-OD1 3.25Å; N437-N461 WeakPolarHBondContact O-CA 3.46Å; N437-N461 PolarHBondContact O-OD1 2.9Å; Y438-N461 PolarHBondContact N-OD1 2.94Å; L439-N461 HydrophobicContact CB-CB 4.49Å; L439-N461 WeakPolarHBondContact CB-OD1 3.11Å; L439-N461 WeakPolarHBondContact CG-OD1 3.46Å; L439-N461 PolarHBondContact N-OD1 2.98Å; L439-N461 VanDerWaalsContact N-OD1 3.08Å; L458-N461 PolarHBondContact O-ND2 3.36Å; E459-N461 VanDerWaalsContact C-N 3.32Å; E459-N461 PolarHBondContact O-N 2.82Å; E459-N461 PolarHBondContact O-ND2 2.78Å; E459-N461 VanDerWaalsContact O-ND2 3.1Å; N461-I463 VanDerWaalsContact C-N 3.34Å; N461-I463 HydrophobicContact CB-CD1 3.99Å; N461-I463 HydrophobicContact CB-CG1 3.8Å; N461-N485 WeakPolarHBondContact CA-OD1 3.48Å; N461-N485 WeakPolarHBondContact CB-OD1 3.26Å; N461-N485 PolarHBondContact O-OD1 3.08Å
462	D	96.8	Very high	95	Very high	65 Å²	65	33 Å²	33	35%	0.348	18%	0.18	S	C	.	.			trans	-94.7	24.4	178.2	-74.4	-40.3	0	0	0	112.5	Y438 L439 Q464 L486	Y438-D462 WeakPolarHBondContact CD1-OD2 3.32Å; L439-D462 CarbonylContact O-C 3.56Å; L439-D462 WeakPolarHBondContact O-CA 3.3Å; L439-D462 PolarHBondContact O-N 3.09Å; D462-Q464 PolarHBondContact O-N 3.16Å; D462-Q464 VanDerWaalsContact O-N 3.16Å; D462-L486 HydrophobicContact CB-CD1 4.16Å
463	I	97.8	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.			trans	-69.8	117.7	-165.4	-54.5	165.5	0	0	0	110.1	L439 D440 L442 L458 N461 I466 L482 N485 L486 L487	L439-I463 HydrophobicContact CB-CG1 4.1Å; L439-I463 WeakPolarHBondContact O-CA 3.27Å; L439-I463 VanDerWaalsContact O-CG1 3.27Å; L439-I463 WeakPolarHBondContact O-CG1 3.43Å; L439-I463 PolarHBondContact O-N 3.29Å; D440-I463 WeakPolarHBondContact O-CA 3.35Å; L442-I463 HydrophobicContact CD1-CD1 4.19Å; L442-I463 HydrophobicContact CD1-CG2 4.42Å; L442-I463 HydrophobicContact CD2-CD1 4.06Å; L442-I463 HydrophobicContact CG-CD1 4.23Å; L442-I463 HydrophobicContact CG-CG2 3.95Å; L458-I463 HydrophobicContact CB-CD1 4.07Å; L458-I463 HydrophobicContact CD2-CD1 4.2Å; N461-I463 VanDerWaalsContact C-N 3.34Å; N461-I463 HydrophobicContact CB-CD1 3.99Å; N461-I463 HydrophobicContact CB-CG1 3.8Å; I463-I466 HydrophobicContact CG2-CG1 4.4Å; I463-L482 HydrophobicContact CD1-CD2 4.25Å; I463-N485 HydrophobicContact CB-CB 4.4Å; I463-N485 VanDerWaalsContact CB-OD1 3.24Å; I463-N485 WeakPolarHBondContact CB-OD1 3.44Å; I463-N485 WeakPolarHBondContact CD1-OD1 3.14Å; I463-N485 WeakPolarHBondContact CG1-OD1 3.21Å; I463-N485 PolarHBondContact N-OD1 3.32Å; I463-N485 VanDerWaalsContact N-OD1 3.08Å; I463-L486 CarbonylContact O-C 3.59Å; I463-L486 VanDerWaalsContact O-CA 3.26Å; I463-L486 WeakPolarHBondContact O-CA 3.35Å; I463-L486 WeakPolarHBondContact O-CB 3.46Å; I463-L486 PolarHBondContact O-N 2.81Å; I463-L487 HydrophobicContact CB-CD2 4.34Å; I463-L487 HydrophobicContact CG2-CD2 3.71Å; I463-L487 PolarHBondContact O-N 3.14Å
464	Q	96.1	Very high	95.1	Very high	111 Å²	111	31.3 Å²	31.3	52%	0.519	17%	0.172	S	C	.	.			trans	-105.2	-27.9	-179	-73.1	163.9	66.6	0	0	112.7	D440 D462 L486	D440-Q464 PolarHBondContact O-N 2.93Å; D462-Q464 PolarHBondContact O-N 3.16Å; D462-Q464 VanDerWaalsContact O-N 3.16Å; Q464-L486 HydrophobicContact CG-CB 3.57Å; Q464-L486 HydrophobicContact CG-CD1 4.01Å; Q464-L486 HydrophobicContact CG-CG 4.44Å
465	L	95.7	Very high	95.2	Very high	95 Å²	95	33 Å²	33	50%	0.497	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.8	-173.6	-179.3	63.3	0	0	0	111.7	D440 T441 L442	D440-L465 PolarHBondContact O-N 3.31Å; T441-L465 CarbonylContact C-O 3.57Å; T441-L465 VanDerWaalsContact CA-O 3.32Å; T441-L465 WeakPolarHBondContact CA-O 3.35Å; T441-L465 HydrophobicContact CG2-CB 4.23Å; T441-L465 HydrophobicContact CG2-CD2 4.17Å; T441-L465 HydrophobicContact CG2-CG 4.27Å; L442-L465 PolarHBondContact N-O 2.32Å
466	I	96.9	Very high	95.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.5	165.4	-59.6	179.6	0	0	0	106.6	L442 I463 A470 F471 L482 L487 L490 P491	L442-I466 HydrophobicContact CB-CG1 4.3Å; L442-I466 HydrophobicContact CB-CG2 4.47Å; L442-I466 HydrophobicContact CD1-CD1 4.18Å; L442-I466 HydrophobicContact CD1-CG1 4.04Å; L442-I466 HydrophobicContact CG-CG1 4.33Å; I463-I466 HydrophobicContact CG2-CG1 4.4Å; I466-A470 HydrophobicContact CG2-CB 3.72Å; I466-F471 HydrophobicContact CD1-CE2 4.11Å; I466-F471 HydrophobicContact CD1-CZ 4.04Å; I466-F471 HydrophobicContact CG2-CE2 4.05Å; I466-F471 HydrophobicContact CG2-CZ 4.4Å; I466-L482 HydrophobicContact CD1-CD1 4.04Å; I466-L482 HydrophobicContact CD1-CD2 4.46Å; I466-L487 HydrophobicContact CD1-CD1 3.97Å; I466-L487 HydrophobicContact CD1-CD2 3.92Å; I466-L487 HydrophobicContact CG1-CD2 3.77Å; I466-L490 HydrophobicContact CD1-CD2 3.9Å; I466-P491 HydrophobicContact CB-CG 4.41Å; I466-P491 HydrophobicContact CG2-CG 4.23Å; I466-P491 WeakPolarHBondContact O-CD 3.19Å; I466-P491 VanDerWaalsContact O-CG 3.22Å; I466-P491 WeakPolarHBondContact O-CG 3.41Å
467	V	95.4	Very high	95	Very high	60 Å²	60	36.7 Å²	36.7	36%	0.364	21%	0.205	S	C	.	.			trans	-82.9	147.8	174.6	179.4	0	0	0	0	109.6	T441 L442 M443 G469 A470	T441-V467 HydrophobicContact CG2-CG2 4.3Å; L442-V467 WeakPolarHBondContact O-CB 3.4Å; L442-V467 WeakPolarHBondContact O-CG2 3.36Å; L442-V467 PolarHBondContact O-N 3.47Å; M443-V467 HydrophobicContact CB-CB 4.34Å; M443-V467 HydrophobicContact CB-CG2 4.12Å; V467-G469 PolarHBondContact O-N 3.47Å; V467-A470 WeakPolarHBondContact O-CB 3.13Å; V467-A470 PolarHBondContact O-N 3.38Å
468	A	93.5	Very high	94.7	Very high	56 Å²	56	39.1 Å²	39.1	46%	0.463	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	133.6	175.9	0	0	0	0	0	111.1	A470 P491 V492	A468-A470 VanDerWaalsContact C-N 3.26Å; A468-A470 PolarHBondContact O-N 3.18Å; A468-P491 HydrophobicContact CB-CB 4.21Å; A468-V492 WeakPolarHBondContact CB-O 3.36Å
469	G	92.1	Very high	94.4	Very high	11 Å²	11	39.1 Å²	39.1	11%	0.113	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	12.8	-177.5	0	0	0	0	0	115.7	A444 V467 F471 S472 D493	A444-G469 WeakPolarHBondContact CB-O 3.33Å; V467-G469 PolarHBondContact O-N 3.47Å; G469-F471 PolarHBondContact O-N 3.22Å; G469-F471 VanDerWaalsContact O-N 3.09Å; G469-S472 VanDerWaalsContact O-CB 3.29Å; G469-S472 WeakPolarHBondContact O-CB 3.46Å; G469-S472 PolarHBondContact O-N 2.04Å; G469-S472 PolarHBondContact O-OG 3.28Å; G469-D493 VanDerWaalsContact CA-O 3.28Å; G469-D493 WeakPolarHBondContact CA-O 3.26Å; G469-D493 PolarHBondContact N-O 3.4Å
470	A	95.5	Very high	94.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.4	-177.9	0	0	0	0	0	114.1	L442 F447 I466 V467 A468	L442-A470 HydrophobicContact CB-CB 4.32Å; F447-A470 WeakPolarHBondContact CD2-O 3.4Å; I466-A470 HydrophobicContact CG2-CB 3.72Å; V467-A470 WeakPolarHBondContact O-CB 3.13Å; V467-A470 PolarHBondContact O-N 3.38Å; A468-A470 VanDerWaalsContact C-N 3.26Å; A468-A470 PolarHBondContact O-N 3.18Å
471	F	96.2	Very high	94.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-6.6	178.5	-53.5	-60.8	0	0	0	114.2	L442 L456 L458 I466 G469 P473 M474 L480 L482 A494 F495 I498	L442-F471 HydrophobicContact CD1-CE1 3.86Å; L442-F471 HydrophobicContact CD1-CZ 3.7Å; L456-F471 HydrophobicContact CD2-CD1 4.36Å; L456-F471 HydrophobicContact CD2-CE1 4.25Å; L458-F471 HydrophobicContact CD1-CE1 4.39Å; I466-F471 HydrophobicContact CD1-CE2 4.11Å; I466-F471 HydrophobicContact CD1-CZ 4.04Å; I466-F471 HydrophobicContact CG2-CE2 4.05Å; I466-F471 HydrophobicContact CG2-CZ 4.4Å; G469-F471 PolarHBondContact O-N 3.22Å; G469-F471 VanDerWaalsContact O-N 3.09Å; F471-P473 VanDerWaalsContact C-N 3.29Å; F471-P473 WeakPolarHBondContact O-CD 3.22Å; F471-P473 VanDerWaalsContact O-N 3.14Å; F471-M474 HydrophobicContact CB-CE 4.23Å; F471-M474 HydrophobicContact CD1-CE 3.74Å; F471-M474 HydrophobicContact CG-CE 4.49Å; F471-M474 PolarHBondContact O-N 3.39Å; F471-L480 HydrophobicContact CD2-CD2 4.26Å; F471-L480 HydrophobicContact CE1-CD1 4.23Å; F471-L480 HydrophobicContact CE1-CD2 4.28Å; F471-L480 HydrophobicContact CE2-CD2 3.98Å; F471-L480 HydrophobicContact CZ-CD1 4.45Å; F471-L480 HydrophobicContact CZ-CD2 4Å; F471-L482 HydrophobicContact CE2-CD1 4.36Å; F471-L482 HydrophobicContact CZ-CD1 4.03Å; F471-L482 HydrophobicContact CZ-CD2 4.5Å; F471-A494 WeakPolarHBondContact CD2-O 3.42Å; F471-F495 AromaticContact CD2-CD1 3.96Å; F471-F495 HydrophobicContact CD2-CD1 3.96Å; F471-F495 HydrophobicContact CD2-CE1 4.04Å; F471-F495 HydrophobicContact CE2-CD1 4.38Å; F471-F495 AromaticContact CE2-CE1 3.99Å; F471-F495 HydrophobicContact CE2-CE1 3.99Å; F471-I498 HydrophobicContact CB-CD1 3.92Å; F471-I498 HydrophobicContact CB-CG2 4.4Å; F471-I498 WeakPolarHBondContact O-CG2 3.36Å
472	S	93.8	Very high	94.7	Very high	56 Å²	56	32.3 Å²	32.3	39%	0.392	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-24	-179.1	69.8	0	0	0	0	116.4	G469 M474 L496	G469-S472 VanDerWaalsContact O-CB 3.29Å; G469-S472 WeakPolarHBondContact O-CB 3.46Å; G469-S472 PolarHBondContact O-N 2.04Å; G469-S472 PolarHBondContact O-OG 3.28Å; S472-M474 PolarHBondContact O-N 3.14Å; S472-L496 WeakPolarHBondContact CB-O 3.31Å
473	P	95	Very high	94.4	Very high	25 Å²	25	29.4 Å²	29.4	16%	0.162	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-6	172.4	-20.2	34.3	0	0	0	115.3	A444 F447 V448 F471 P475	A444-P473 HydrophobicContact CB-CG 4.18Å; A444-P473 WeakPolarHBondContact O-CG 3.32Å; F447-P473 HydrophobicContact CB-CB 4.45Å; F447-P473 HydrophobicContact CB-CG 4.38Å; V448-P473 HydrophobicContact CG2-CG 4.36Å; F471-P473 VanDerWaalsContact C-N 3.29Å; F471-P473 WeakPolarHBondContact O-CD 3.22Å; F471-P473 VanDerWaalsContact O-N 3.14Å; P473-P475 VanDerWaalsContact C-CD 3.45Å; P473-P475 WeakPolarHBondContact O-CD 3.42Å
474	M	95.8	Very high	94.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.			trans	-121.9	64.7	-171.4	-61.2	177	-68.7	0	0	111.4	F447 L450 L453 L456 F471 S472 N476 L477 I498	F447-M474 HydrophobicContact CB-CE 3.82Å; F447-M474 HydrophobicContact CB-CG 4.42Å; F447-M474 HydrophobicContact CB-SD 3.96Å; F447-M474 HydrophobicContact CD1-CE 3.9Å; F447-M474 HydrophobicContact CD1-SD 3.95Å; F447-M474 HydrophobicContact CD2-CE 4.16Å; F447-M474 HydrophobicContact CG-CE 3.69Å; F447-M474 HydrophobicContact CG-SD 4.12Å; L450-M474 HydrophobicContact CB-CG 3.64Å; L450-M474 HydrophobicContact CB-SD 4.03Å; L450-M474 HydrophobicContact CD1-SD 3.86Å; L450-M474 WeakPolarHBondContact O-CG 3.45Å; L453-M474 HydrophobicContact CB-CB 4.47Å; L453-M474 HydrophobicContact CB-CG 4.29Å; L453-M474 HydrophobicContact CB-SD 4.32Å; L453-M474 HydrophobicContact CD2-CG 4.44Å; L453-M474 HydrophobicContact CD2-SD 3.42Å; L453-M474 WeakPolarHBondContact CD2-SD 3.22Å; L453-M474 HydrophobicContact CG-SD 4.48Å; L456-M474 HydrophobicContact CD2-CE 3.84Å; L456-M474 HydrophobicContact CD2-SD 4.22Å; F471-M474 HydrophobicContact CB-CE 4.23Å; F471-M474 HydrophobicContact CD1-CE 3.74Å; F471-M474 HydrophobicContact CG-CE 4.49Å; F471-M474 PolarHBondContact O-N 3.39Å; S472-M474 PolarHBondContact O-N 3.14Å; M474-N476 PolarHBondContact O-N 3.05Å; M474-N476 VanDerWaalsContact O-N 3.17Å; M474-L477 HydrophobicContact CB-CB 4.21Å; M474-L477 VanDerWaalsContact O-CB 3.26Å; M474-L477 WeakPolarHBondContact O-CB 3.46Å; M474-L477 PolarHBondContact O-N 3.07Å; M474-L477 VanDerWaalsContact O-N 3.11Å; M474-I498 VanDerWaalsContact O-CG2 3.28Å; M474-I498 WeakPolarHBondContact O-CG2 3.38Å
475	P	93.6	Very high	94.1	Very high	56 Å²	56	25.9 Å²	25.9	36%	0.364	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.7	-170.7	27.1	-36.6	0	0	0	114.5	V451 P473 L477 G497	V451-P475 HydrophobicContact CG1-CG 4.21Å; P473-P475 VanDerWaalsContact C-CD 3.45Å; P473-P475 WeakPolarHBondContact O-CD 3.42Å; P475-L477 VanDerWaalsContact C-N 3.34Å; P475-G497 WeakPolarHBondContact CA-O 3.16Å
476	N	92.8	Very high	94.1	Very high	81 Å²	81	23.8 Å²	23.8	43%	0.433	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	6.8	178.7	-66	-65.2	0	0	0	113.7	V451 L453 M474 R478	V451-N476 PolarHBondContact O-ND2 3.13Å; L453-N476 CarbonylContact O-C 3.46Å; M474-N476 PolarHBondContact O-N 3.05Å; M474-N476 VanDerWaalsContact O-N 3.17Å; N476-R478 PolarHBondContact O-N 2.93Å
477	L	94.3	Very high	94.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.144	C	C	.	.			trans	-66.1	122.1	-177.4	-172.3	67.2	0	0	0	110.6	L453 L456 M474 P475 L480 I498 S499 L500	L453-L477 HydrophobicContact CD2-CD1 4.19Å; L453-L477 HydrophobicContact CG-CD1 4.47Å; L453-L477 WeakPolarHBondContact O-CA 3.07Å; L453-L477 PolarHBondContact O-N 3.37Å; L456-L477 HydrophobicContact CB-CD1 3.73Å; L456-L477 HydrophobicContact CB-CD2 4.45Å; M474-L477 HydrophobicContact CB-CB 4.21Å; M474-L477 VanDerWaalsContact O-CB 3.26Å; M474-L477 WeakPolarHBondContact O-CB 3.46Å; M474-L477 PolarHBondContact O-N 3.07Å; M474-L477 VanDerWaalsContact O-N 3.11Å; P475-L477 VanDerWaalsContact C-N 3.34Å; L477-L480 HydrophobicContact CD2-CB 4.39Å; L477-L480 HydrophobicContact CD2-CD1 4.48Å; L477-L480 HydrophobicContact CD2-CD2 4.47Å; L477-I498 HydrophobicContact CD2-CD1 4.33Å; L477-S499 CarbonylContact O-C 3.05Å; L477-L500 HydrophobicContact CB-CD2 4.38Å; L477-L500 HydrophobicContact CD2-CD2 4.03Å; L477-L500 HydrophobicContact CG-CD2 3.79Å
478	R	90.1	Very high	94.1	Very high	54 Å²	54	27.3 Å²	27.3	20%	0.204	15%	0.154	C	C	.	.			trans	-105.9	-42.9	-179.3	-71	171.2	62.6	-175.1	-0.4	111.8	A205 N233 E454 N476 L500 S501 K502	A205-R478 PolarHBondContact O-NH2 2.83Å; N233-R478 PolarHBondContact O-NH1 2.97Å; E454-R478 PolarHBondContact O-N 3.39Å; E454-R478 IonicContact OE2-NH1 3.78Å; N476-R478 PolarHBondContact O-N 2.93Å; R478-L500 CarbonylContact O-C 3.56Å; R478-L500 WeakPolarHBondContact O-CA 3.5Å; R478-S501 PolarHBondContact O-N 2.99Å; R478-S501 PolarHBondContact O-OG 3.05Å; R478-K502 PolarHBondContact O-N 2.79Å; R478-K502 VanDerWaalsContact O-N 3.12Å
479	V	90.4	Very high	94.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125	-173.4	-177.6	0	0	0	0	110.8	L235 E454 Y455 L456 F481 K502	L235-V479 HydrophobicContact CD2-CB 4.11Å; L235-V479 HydrophobicContact CD2-CG2 3.32Å; E454-V479 PolarHBondContact O-N 2.94Å; Y455-V479 HydrophobicContact CD2-CB 4.11Å; Y455-V479 HydrophobicContact CD2-CG1 4.07Å; Y455-V479 HydrophobicContact CE2-CG1 4.27Å; L456-V479 PolarHBondContact N-O 2.97Å; V479-F481 HydrophobicContact CG1-CD2 3.95Å; V479-F481 HydrophobicContact CG1-CE2 3.3Å; V479-F481 HydrophobicContact CG1-CZ 3.74Å; V479-K502 WeakPolarHBondContact CA-O 3.23Å; V479-K502 HydrophobicContact CG1-CB 4.28Å; V479-K502 HydrophobicContact CG1-CD 4.48Å; V479-K502 HydrophobicContact CG1-CG 4.41Å; V479-K502 HydrophobicContact CG2-CB 4.15Å
480	L	95.6	Very high	94.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	114.5	-177.7	177.4	58.5	0	0	0	111.6	L456 L458 F471 L477 L482 F495 L500 K502 I503 S504	L456-L480 HydrophobicContact CB-CD1 4.12Å; L456-L480 HydrophobicContact CD2-CD1 4.01Å; L456-L480 HydrophobicContact CG-CD1 4.03Å; L456-L480 WeakPolarHBondContact O-CA 3.32Å; L458-L480 HydrophobicContact CD1-CD1 4.43Å; F471-L480 HydrophobicContact CD2-CD2 4.26Å; F471-L480 HydrophobicContact CE1-CD1 4.23Å; F471-L480 HydrophobicContact CE1-CD2 4.28Å; F471-L480 HydrophobicContact CE2-CD2 3.98Å; F471-L480 HydrophobicContact CZ-CD1 4.45Å; F471-L480 HydrophobicContact CZ-CD2 4Å; L477-L480 HydrophobicContact CD2-CB 4.39Å; L477-L480 HydrophobicContact CD2-CD1 4.48Å; L477-L480 HydrophobicContact CD2-CD2 4.47Å; L480-L482 HydrophobicContact CD1-CD1 4.29Å; L480-L482 HydrophobicContact CD1-CG 4.05Å; L480-L482 HydrophobicContact CD2-CD1 3.84Å; L480-L482 HydrophobicContact CD2-CG 4.46Å; L480-L482 HydrophobicContact CG-CD1 3.97Å; L480-L482 HydrophobicContact CG-CG 4.06Å; L480-F495 HydrophobicContact CD2-CE1 4.11Å; L480-L500 HydrophobicContact CB-CD1 4.19Å; L480-L500 HydrophobicContact CB-CD2 3.8Å; L480-L500 HydrophobicContact CD2-CD1 4Å; L480-K502 PolarHBondContact N-O 3.13Å; L480-I503 HydrophobicContact CB-CG1 4.29Å; L480-I503 HydrophobicContact CD2-CD1 4.19Å; L480-I503 HydrophobicContact CD2-CG1 4.37Å; L480-I503 HydrophobicContact CG-CG1 4.37Å; L480-I503 WeakPolarHBondContact O-CA 3.27Å; L480-S504 PolarHBondContact O-N 2.94Å
481	F	94.8	Very high	94.2	Very high	7 Å²	7	28.7 Å²	28.7	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.9	174.6	-66.5	-75.4	0	0	0	110.9	Y455 L456 L458 E459 V479 N483 K502 S504	Y455-F481 HydrophobicContact CE2-CD2 4.33Å; Y455-F481 AromaticContact CE2-CE2 3.8Å; Y455-F481 HydrophobicContact CE2-CE2 3.8Å; Y455-F481 AromaticContact CZ-CE2 3.91Å; L456-F481 PolarHBondContact O-N 2.92Å; L458-F481 CarbonylContact C-O 3.26Å; L458-F481 WeakPolarHBondContact CA-O 2.88Å; L458-F481 WeakPolarHBondContact CB-O 3.29Å; L458-F481 PolarHBondContact N-O 2.81Å; E459-F481 HydrophobicContact CB-CB 4.47Å; E459-F481 PolarHBondContact N-O 3.08Å; V479-F481 HydrophobicContact CG1-CD2 3.95Å; V479-F481 HydrophobicContact CG1-CE2 3.3Å; V479-F481 HydrophobicContact CG1-CZ 3.74Å; F481-N483 WeakPolarHBondContact CB-OD1 3.47Å; F481-K502 HydrophobicContact CZ-CD 4.45Å; F481-S504 VanDerWaalsContact CD1-CB 3.48Å
482	L	96.3	Very high	93.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.184	C	C	.	.			trans	-123.8	12.8	177.3	-74.7	168	0	0	0	111.8	L442 L458 I463 I466 F471 L480 N485 L487 S504 L505 N508	L442-L482 HydrophobicContact CD1-CD2 4.18Å; L458-L482 HydrophobicContact CB-CD2 3.88Å; L458-L482 HydrophobicContact CD1-CD2 3.88Å; I463-L482 HydrophobicContact CD1-CD2 4.25Å; I466-L482 HydrophobicContact CD1-CD1 4.04Å; I466-L482 HydrophobicContact CD1-CD2 4.46Å; F471-L482 HydrophobicContact CE2-CD1 4.36Å; F471-L482 HydrophobicContact CZ-CD1 4.03Å; F471-L482 HydrophobicContact CZ-CD2 4.5Å; L480-L482 HydrophobicContact CD1-CD1 4.29Å; L480-L482 HydrophobicContact CD1-CG 4.05Å; L480-L482 HydrophobicContact CD2-CD1 3.84Å; L480-L482 HydrophobicContact CD2-CG 4.46Å; L480-L482 HydrophobicContact CG-CD1 3.97Å; L480-L482 HydrophobicContact CG-CG 4.06Å; L482-N485 WeakPolarHBondContact O-CB 3.3Å; L482-N485 PolarHBondContact O-ND2 3.19Å; L482-N485 VanDerWaalsContact O-ND2 3.11Å; L482-L487 HydrophobicContact CB-CD1 4.34Å; L482-S504 CarbonylContact C-O 3.09Å; L482-S504 WeakPolarHBondContact CA-O 3.48Å; L482-S504 WeakPolarHBondContact CB-O 2.96Å; L482-S504 PolarHBondContact N-O 2.9Å; L482-L505 HydrophobicContact CB-CD2 3.94Å; L482-L505 HydrophobicContact CD1-CD2 4Å; L482-N508 PolarHBondContact O-ND2 3.09Å
483	N	91.3	Very high	93.7	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.027	18%	0.181	C	C	.	.			trans	-67.1	156.1	-179.6	50	-65.4	0	0	0	113.2	E459 Y460 F481 N485 S504 H506	E459-N483 VanDerWaalsContact CA-O 3.24Å; E459-N483 WeakPolarHBondContact CA-O 3.33Å; E459-N483 WeakPolarHBondContact CB-O 3.26Å; E459-N483 PolarHBondContact OE2-ND2 3.26Å; Y460-N483 PolarHBondContact N-O 3.22Å; Y460-N483 VanDerWaalsContact N-O 3.13Å; F481-N483 WeakPolarHBondContact CB-OD1 3.47Å; N483-N485 PolarHBondContact O-ND2 2.94Å; N483-S504 WeakPolarHBondContact CB-OG 3.02Å; N483-S504 PolarHBondContact N-O 3.17Å; N483-S504 PolarHBondContact OD1-OG 3.31Å; N483-H506 WeakPolarHBondContact CA-O 2.99Å; N483-H506 WeakPolarHBondContact CB-CD2 3.32Å; N483-H506 VanDerWaalsContact CB-NE2 3.3Å; N483-H506 WeakPolarHBondContact CB-NE2 3.24Å; N483-H506 WeakPolarHBondContact CB-O 3.43Å; N483-H506 PolarHBondContact ND2-NE2 3.41Å
484	N	90.3	Very high	93.5	Very high	33 Å²	33	31.6 Å²	31.6	18%	0.176	17%	0.173	C	C	.	.	S	Bend	trans	53.9	52.4	-177.5	-55.1	-77	0	0	0	112.4	Y460 H506 N507	Y460-N484 VanDerWaalsContact CA-O 3.3Å; Y460-N484 WeakPolarHBondContact CA-O 3.43Å; Y460-N484 HydrophobicContact CD1-CB 3.53Å; Y460-N484 HydrophobicContact CD2-CB 4.47Å; Y460-N484 HydrophobicContact CE1-CB 3.62Å; Y460-N484 VanDerWaalsContact CE1-CG 3.43Å; Y460-N484 HydrophobicContact CG-CB 3.99Å; Y460-N484 PolarHBondContact N-O 2.93Å; Y460-N484 PolarHBondContact OH-ND2 3.5Å; N484-H506 PolarHBondContact N-O 3.47Å; N484-N507 VanDerWaalsContact CA-O 3.27Å; N484-N507 WeakPolarHBondContact CA-O 3.38Å; N484-N507 PolarHBondContact N-O 2.93Å; N484-N507 VanDerWaalsContact OD1-CB 3.27Å; N484-N507 WeakPolarHBondContact OD1-CB 3.37Å; N484-N507 PolarHBondContact OD1-ND2 2.91Å
485	N	96.2	Very high	93.4	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	17%	0.173	C	C	.	.	S	Bend	trans	-124.4	-174.5	177.1	-89.1	-82.8	0	0	0	110.5	L458 N461 I463 L482 N483 L487 N507 N508	L458-N485 PolarHBondContact O-ND2 3.33Å; N461-N485 WeakPolarHBondContact CA-OD1 3.48Å; N461-N485 WeakPolarHBondContact CB-OD1 3.26Å; N461-N485 PolarHBondContact O-OD1 3.08Å; I463-N485 HydrophobicContact CB-CB 4.4Å; I463-N485 VanDerWaalsContact CB-OD1 3.24Å; I463-N485 WeakPolarHBondContact CB-OD1 3.44Å; I463-N485 WeakPolarHBondContact CD1-OD1 3.14Å; I463-N485 WeakPolarHBondContact CG1-OD1 3.21Å; I463-N485 PolarHBondContact N-OD1 3.32Å; I463-N485 VanDerWaalsContact N-OD1 3.08Å; L482-N485 WeakPolarHBondContact O-CB 3.3Å; L482-N485 PolarHBondContact O-ND2 3.19Å; L482-N485 VanDerWaalsContact O-ND2 3.11Å; N483-N485 PolarHBondContact O-ND2 2.94Å; N485-L487 HydrophobicContact CB-CG 4.35Å; N485-N507 PolarHBondContact N-O 2.95Å; N485-N508 WeakPolarHBondContact CA-OD1 3.46Å; N485-N508 WeakPolarHBondContact CB-OD1 3.35Å; N485-N508 PolarHBondContact O-OD1 2.94Å
486	L	96.7	Very high	93.3	Very high	52 Å²	52	33.1 Å²	33.1	27%	0.272	18%	0.178	S	C	.	.			trans	-106	19.7	-176.4	-56.9	-177.4	0	0	0	113.1	D462 I463 Q464 Y509	D462-L486 HydrophobicContact CB-CD1 4.16Å; I463-L486 CarbonylContact O-C 3.59Å; I463-L486 VanDerWaalsContact O-CA 3.26Å; I463-L486 WeakPolarHBondContact O-CA 3.35Å; I463-L486 WeakPolarHBondContact O-CB 3.46Å; I463-L486 PolarHBondContact O-N 2.81Å; Q464-L486 HydrophobicContact CG-CB 3.57Å; Q464-L486 HydrophobicContact CG-CD1 4.01Å; Q464-L486 HydrophobicContact CG-CG 4.44Å; L486-Y509 HydrophobicContact CD2-CD2 4.29Å; L486-Y509 HydrophobicContact CD2-CE2 3.66Å
487	L	97.1	Very high	93	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.			trans	-69.1	132.8	-172.2	-63.4	170.4	0	0	0	111.5	I463 I466 L482 N485 N508 Y509 F510	I463-L487 HydrophobicContact CB-CD2 4.34Å; I463-L487 HydrophobicContact CG2-CD2 3.71Å; I463-L487 PolarHBondContact O-N 3.14Å; I466-L487 HydrophobicContact CD1-CD1 3.97Å; I466-L487 HydrophobicContact CD1-CD2 3.92Å; I466-L487 HydrophobicContact CG1-CD2 3.77Å; L482-L487 HydrophobicContact CB-CD1 4.34Å; N485-L487 HydrophobicContact CB-CG 4.35Å; L487-N508 HydrophobicContact CB-CB 4.35Å; L487-N508 VanDerWaalsContact CB-OD1 3.28Å; L487-N508 WeakPolarHBondContact CB-OD1 3.35Å; L487-N508 WeakPolarHBondContact CG-OD1 3.43Å; L487-N508 PolarHBondContact N-OD1 2.94Å; L487-N508 VanDerWaalsContact N-OD1 3.15Å; L487-Y509 CarbonylContact O-C 3.53Å; L487-Y509 VanDerWaalsContact O-CA 3.23Å; L487-Y509 WeakPolarHBondContact O-CA 3.15Å; L487-Y509 WeakPolarHBondContact O-CB 3.22Å; L487-Y509 PolarHBondContact O-N 2.88Å; L487-F510 HydrophobicContact CB-CE1 3.73Å; L487-F510 HydrophobicContact CB-CE2 4.09Å; L487-F510 HydrophobicContact CB-CZ 3.4Å; L487-F510 HydrophobicContact CD1-CZ 3.88Å; L487-F510 HydrophobicContact CG-CZ 4.27Å; L487-F510 PolarHBondContact O-N 2.92Å
488	K	94.3	Very high	92.9	Very high	135 Å²	135	32.3 Å²	32.3	59%	0.587	19%	0.186	S	C	*	.			trans	-112.5	-20.8	178.8	-66.1	176.2	-177.1	174.5	0	114.2	P511	K488-P511 WeakPolarHBondContact O-CD 3.47Å
489	A	93.6	Very high	92.9	Very high	57 Å²	57	33.3 Å²	33.3	47%	0.471	20%	0.202	S	C	.	.			trans	-158.6	155.4	177.5	0	0	0	0	0	109.1
490	L	94.9	Very high	92.9	Very high	9 Å²	9	33.4 Å²	33.4	5%	0.047	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-102.1	139.5	166.7	-62.8	179.9	0	0	0	108.7	I466 A494 F495 L505 F510 L513 V518	I466-L490 HydrophobicContact CD1-CD2 3.9Å; L490-A494 HydrophobicContact CB-CB 4.43Å; L490-F495 HydrophobicContact CD1-CE2 3.76Å; L490-F495 HydrophobicContact CD1-CZ 3.73Å; L490-L505 HydrophobicContact CD1-CD1 4.29Å; L490-F510 HydrophobicContact CD2-CE1 4.1Å; L490-F510 HydrophobicContact CD2-CZ 3.94Å; L490-F510 HydrophobicContact CG-CE1 3.93Å; L490-F510 HydrophobicContact CG-CZ 4.07Å; L490-L513 HydrophobicContact CD1-CD2 3.93Å; L490-L513 HydrophobicContact CG-CD2 4Å; L490-V518 HydrophobicContact CB-CG1 3.98Å; L490-V518 HydrophobicContact CD1-CG1 4.03Å
491	P	94.5	Very high	92.5	Very high	29 Å²	29	34 Å²	34	19%	0.188	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-70	155.6	174.8	34.1	-39	0	0	0	110.2	I466 A468 A494 V518	I466-P491 HydrophobicContact CB-CG 4.41Å; I466-P491 HydrophobicContact CG2-CG 4.23Å; I466-P491 WeakPolarHBondContact O-CD 3.19Å; I466-P491 VanDerWaalsContact O-CG 3.22Å; I466-P491 WeakPolarHBondContact O-CG 3.41Å; A468-P491 HydrophobicContact CB-CB 4.21Å; P491-A494 HydrophobicContact CG-CB 3.93Å; P491-A494 WeakPolarHBondContact O-CB 3.42Å; P491-A494 PolarHBondContact O-N 3.12Å; P491-V518 WeakPolarHBondContact O-CG2 3.3Å
492	V	90.4	Very high	92.1	Very high	83 Å²	83	34.1 Å²	34.1	50%	0.503	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	141.6	161.7	-175.8	0	0	0	0	108.6	A468 A494	A468-V492 WeakPolarHBondContact CB-O 3.36Å; V492-A494 VanDerWaalsContact C-N 3.29Å; V492-A494 PolarHBondContact O-N 2.78Å
493	D	90.1	Very high	91.9	Very high	59 Å²	59	34.2 Å²	34.2	32%	0.316	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	25.5	-174.9	-58.6	-47.7	0	0	0	114.8	G469 F495 L496 G517 Q521	G469-D493 VanDerWaalsContact CA-O 3.28Å; G469-D493 WeakPolarHBondContact CA-O 3.26Å; G469-D493 PolarHBondContact N-O 3.4Å; D493-F495 VanDerWaalsContact C-N 3.28Å; D493-F495 PolarHBondContact O-N 3.4Å; D493-L496 HydrophobicContact CB-CB 3.8Å; D493-L496 HydrophobicContact CB-CD2 4.01Å; D493-L496 HydrophobicContact CB-CG 4.46Å; D493-L496 PolarHBondContact O-N 3.4Å; D493-G517 PolarHBondContact N-O 3.34Å; D493-Q521 PolarHBondContact OD1-NE2 3.43Å
494	A	91.4	Very high	91.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-44.1	172.9	0	0	0	0	0	112.6	F471 L490 P491 V492 V518	F471-A494 WeakPolarHBondContact CD2-O 3.42Å; L490-A494 HydrophobicContact CB-CB 4.43Å; P491-A494 HydrophobicContact CG-CB 3.93Å; P491-A494 WeakPolarHBondContact O-CB 3.42Å; P491-A494 PolarHBondContact O-N 3.12Å; V492-A494 VanDerWaalsContact C-N 3.29Å; V492-A494 PolarHBondContact O-N 2.78Å; A494-V518 HydrophobicContact CB-CG1 4.32Å
495	F	92.9	Very high	91.9	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	23.2	-174.4	-51.5	-53.2	0	0	0	112.3	F471 L480 L490 D493 G497 I498 L500 I503 V518 Q521 L522	F471-F495 AromaticContact CD2-CD1 3.96Å; F471-F495 HydrophobicContact CD2-CD1 3.96Å; F471-F495 HydrophobicContact CD2-CE1 4.04Å; F471-F495 HydrophobicContact CE2-CD1 4.38Å; F471-F495 AromaticContact CE2-CE1 3.99Å; F471-F495 HydrophobicContact CE2-CE1 3.99Å; L480-F495 HydrophobicContact CD2-CE1 4.11Å; L490-F495 HydrophobicContact CD1-CE2 3.76Å; L490-F495 HydrophobicContact CD1-CZ 3.73Å; D493-F495 VanDerWaalsContact C-N 3.28Å; D493-F495 PolarHBondContact O-N 3.4Å; F495-G497 PolarHBondContact O-N 3.1Å; F495-I498 HydrophobicContact CB-CD1 4.18Å; F495-I498 HydrophobicContact CB-CG1 4.04Å; F495-I498 HydrophobicContact CD1-CD1 3.94Å; F495-I498 WeakPolarHBondContact O-CG1 3.47Å; F495-I498 PolarHBondContact O-N 2.96Å; F495-L500 HydrophobicContact CD1-CD1 4.2Å; F495-L500 HydrophobicContact CE1-CD1 4.36Å; F495-I503 HydrophobicContact CE1-CD1 3.68Å; F495-I503 HydrophobicContact CE2-CD1 4.17Å; F495-I503 HydrophobicContact CZ-CD1 3.37Å; F495-V518 HydrophobicContact CD2-CG1 4.01Å; F495-V518 HydrophobicContact CE2-CG1 3.93Å; F495-Q521 HydrophobicContact CB-CB 4.33Å; F495-L522 HydrophobicContact CB-CD2 4.1Å; F495-L522 HydrophobicContact CD2-CD1 4.2Å; F495-L522 HydrophobicContact CD2-CD2 3.83Å; F495-L522 HydrophobicContact CD2-CG 4.07Å; F495-L522 HydrophobicContact CE2-CD1 4.2Å; F495-L522 HydrophobicContact CE2-CD2 4.44Å; F495-L522 HydrophobicContact CG-CD2 3.97Å
496	L	90.4	Very high	91.5	Very high	88 Å²	88	33.5 Å²	33.5	46%	0.461	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	117.1	-178.4	-178.7	69	0	0	0	110.6	S472 D493 Q521	S472-L496 WeakPolarHBondContact CB-O 3.31Å; D493-L496 HydrophobicContact CB-CB 3.8Å; D493-L496 HydrophobicContact CB-CD2 4.01Å; D493-L496 HydrophobicContact CB-CG 4.46Å; D493-L496 PolarHBondContact O-N 3.4Å; L496-Q521 VanDerWaalsContact N-OE1 3.08Å
497	G	87	Confident	91	Very high	56 Å²	56	33.8 Å²	33.8	58%	0.577	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.8	13.1	175.3	0	0	0	0	0	115.7	P475 F495	P475-G497 WeakPolarHBondContact CA-O 3.16Å; F495-G497 PolarHBondContact O-N 3.1Å
498	I	92.7	Very high	90.9	Very high	7 Å²	7	34 Å²	34	4%	0.036	21%	0.207	C	C	.	.			trans	-120.3	154.3	174.2	71.8	172.3	0	0	0	111.3	F471 M474 L477 F495 L500	F471-I498 HydrophobicContact CB-CD1 3.92Å; F471-I498 HydrophobicContact CB-CG2 4.4Å; F471-I498 WeakPolarHBondContact O-CG2 3.36Å; M474-I498 VanDerWaalsContact O-CG2 3.28Å; M474-I498 WeakPolarHBondContact O-CG2 3.38Å; L477-I498 HydrophobicContact CD2-CD1 4.33Å; F495-I498 HydrophobicContact CB-CD1 4.18Å; F495-I498 HydrophobicContact CB-CG1 4.04Å; F495-I498 HydrophobicContact CD1-CD1 3.94Å; F495-I498 WeakPolarHBondContact O-CG1 3.47Å; F495-I498 PolarHBondContact O-N 2.96Å; I498-L500 HydrophobicContact CD1-CD1 3.8Å; I498-L500 HydrophobicContact CD1-CD2 4.09Å; I498-L500 HydrophobicContact CD1-CG 3.75Å; I498-L500 HydrophobicContact CG1-CG 4.25Å
499	S	89.6	Confident	91	Very high	76 Å²	76	33.6 Å²	33.6	53%	0.531	20%	0.203	S	C	.	.			trans	-125.5	77.4	-178.8	-65.8	0	0	0	0	111.4	L477	L477-S499 CarbonylContact O-C 3.05Å
500	L	91.3	Very high	91	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.18	C	C	.	.			trans	-69.5	133	-178.9	-64.3	172.3	0	0	0	112.1	L477 R478 L480 F495 I498 I503 L522 S524 I525	L477-L500 HydrophobicContact CB-CD2 4.38Å; L477-L500 HydrophobicContact CD2-CD2 4.03Å; L477-L500 HydrophobicContact CG-CD2 3.79Å; R478-L500 CarbonylContact O-C 3.56Å; R478-L500 WeakPolarHBondContact O-CA 3.5Å; L480-L500 HydrophobicContact CB-CD1 4.19Å; L480-L500 HydrophobicContact CB-CD2 3.8Å; L480-L500 HydrophobicContact CD2-CD1 4Å; F495-L500 HydrophobicContact CD1-CD1 4.2Å; F495-L500 HydrophobicContact CE1-CD1 4.36Å; I498-L500 HydrophobicContact CD1-CD1 3.8Å; I498-L500 HydrophobicContact CD1-CD2 4.09Å; I498-L500 HydrophobicContact CD1-CG 3.75Å; I498-L500 HydrophobicContact CG1-CG 4.25Å; L500-I503 HydrophobicContact CD1-CB 4.17Å; L500-I503 HydrophobicContact CD1-CD1 3.88Å; L500-I503 HydrophobicContact CD1-CG1 4.22Å; L500-L522 HydrophobicContact CB-CD2 4.36Å; L500-L522 HydrophobicContact CD1-CD2 4.04Å; L500-S524 CarbonylContact O-C 3.54Å; L500-S524 VanDerWaalsContact O-C 3.26Å; L500-I525 HydrophobicContact CB-CD1 4.33Å; L500-I525 WeakPolarHBondContact O-CA 3.27Å; L500-I525 PolarHBondContact O-N 2.86Å
501	S	86.6	Confident	90.9	Very high	13 Å²	13	32.4 Å²	32.4	9%	0.091	19%	0.19	C	C	.	.	S	Bend	trans	-87.8	-32	165.4	56.8	0	0	0	0	112.1	R478 I526 Q527	R478-S501 PolarHBondContact O-N 2.99Å; R478-S501 PolarHBondContact O-OG 3.05Å; S501-I526 PolarHBondContact O-N 2.9Å; S501-Q527 PolarHBondContact O-N 2.79Å
502	K	85.9	Confident	90.7	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.043	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	127.6	-177.5	-177.2	164.7	177.9	158.4	0	111.4	D183 R478 V479 L480 F481 Q527	D183-K502 IonicContact OD2-NZ 3.5Å; D183-K502 PolarHBondContact OD2-NZ 2.86Å; R478-K502 PolarHBondContact O-N 2.79Å; R478-K502 VanDerWaalsContact O-N 3.12Å; V479-K502 WeakPolarHBondContact CA-O 3.23Å; V479-K502 HydrophobicContact CG1-CB 4.28Å; V479-K502 HydrophobicContact CG1-CD 4.48Å; V479-K502 HydrophobicContact CG1-CG 4.41Å; V479-K502 HydrophobicContact CG2-CB 4.15Å; L480-K502 PolarHBondContact N-O 3.13Å; F481-K502 HydrophobicContact CZ-CD 4.45Å; K502-Q527 WeakPolarHBondContact CA-O 3.36Å; K502-Q527 HydrophobicContact CG-CB 4.26Å
503	I	92.1	Very high	90.8	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132	173.8	-164.9	-179.9	0	0	0	111.3	L480 F495 L500 L505 I525 Q527 I528 D529	L480-I503 HydrophobicContact CB-CG1 4.29Å; L480-I503 HydrophobicContact CD2-CD1 4.19Å; L480-I503 HydrophobicContact CD2-CG1 4.37Å; L480-I503 HydrophobicContact CG-CG1 4.37Å; L480-I503 WeakPolarHBondContact O-CA 3.27Å; F495-I503 HydrophobicContact CE1-CD1 3.68Å; F495-I503 HydrophobicContact CE2-CD1 4.17Å; F495-I503 HydrophobicContact CZ-CD1 3.37Å; L500-I503 HydrophobicContact CD1-CB 4.17Å; L500-I503 HydrophobicContact CD1-CD1 3.88Å; L500-I503 HydrophobicContact CD1-CG1 4.22Å; I503-L505 HydrophobicContact CD1-CD1 4.07Å; I503-L505 HydrophobicContact CD1-CD2 4.4Å; I503-L505 HydrophobicContact CD1-CG 4.14Å; I503-L505 HydrophobicContact CG1-CG 4.24Å; I503-I525 HydrophobicContact CB-CD1 4.19Å; I503-I525 HydrophobicContact CG2-CD1 3.69Å; I503-Q527 PolarHBondContact N-O 2.94Å; I503-Q527 VanDerWaalsContact N-O 3.1Å; I503-I528 HydrophobicContact CG2-CB 4.08Å; I503-I528 HydrophobicContact CG2-CD1 3.61Å; I503-I528 HydrophobicContact CG2-CG1 3.52Å; I503-I528 WeakPolarHBondContact O-CA 3.47Å; I503-D529 PolarHBondContact O-N 3Å; I503-D529 VanDerWaalsContact O-N 3.09Å
504	S	89.9	Confident	90.8	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.063	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.9	177.9	-169.9	0	0	0	0	110.4	L480 F481 L482 N483 H506	L480-S504 PolarHBondContact O-N 2.94Å; F481-S504 VanDerWaalsContact CD1-CB 3.48Å; L482-S504 CarbonylContact C-O 3.09Å; L482-S504 WeakPolarHBondContact CA-O 3.48Å; L482-S504 WeakPolarHBondContact CB-O 2.96Å; L482-S504 PolarHBondContact N-O 2.9Å; N483-S504 WeakPolarHBondContact CB-OG 3.02Å; N483-S504 PolarHBondContact N-O 3.17Å; N483-S504 PolarHBondContact OD1-OG 3.31Å; S504-H506 PolarHBondContact OG-CD2 3.07Å
505	L	93	Very high	90.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.			trans	-121.6	8.9	179.9	-69.7	171.3	0	0	0	112	L482 L490 I503 N508 F510 L513 D529 L530 N533	L482-L505 HydrophobicContact CB-CD2 3.94Å; L482-L505 HydrophobicContact CD1-CD2 4Å; L490-L505 HydrophobicContact CD1-CD1 4.29Å; I503-L505 HydrophobicContact CD1-CD1 4.07Å; I503-L505 HydrophobicContact CD1-CD2 4.4Å; I503-L505 HydrophobicContact CD1-CG 4.14Å; I503-L505 HydrophobicContact CG1-CG 4.24Å; L505-N508 PolarHBondContact O-ND2 2.95Å; L505-N508 VanDerWaalsContact O-ND2 3.11Å; L505-F510 HydrophobicContact CB-CE2 4.13Å; L505-F510 HydrophobicContact CD2-CE2 3.99Å; L505-F510 HydrophobicContact CD2-CZ 4.18Å; L505-F510 HydrophobicContact CG-CE2 4.48Å; L505-L513 HydrophobicContact CD1-CD1 4.25Å; L505-D529 CarbonylContact C-O 3.1Å; L505-D529 WeakPolarHBondContact CA-O 3.27Å; L505-D529 PolarHBondContact N-O 3.44Å; L505-L530 HydrophobicContact CB-CD2 4.03Å; L505-L530 HydrophobicContact CD1-CD2 4.19Å; L505-N533 PolarHBondContact O-ND2 2.56Å
506	H	87.1	Confident	90.4	Very high	16 Å²	16	36.8 Å²	36.8	7%	0.074	21%	0.21	C	C	.	.			trans	-65.5	157.7	-178.4	79.7	87.3	0	0	0	112.7	N483 N484 S504 N508 D529 H531	N483-H506 WeakPolarHBondContact CA-O 2.99Å; N483-H506 WeakPolarHBondContact CB-CD2 3.32Å; N483-H506 VanDerWaalsContact CB-NE2 3.3Å; N483-H506 WeakPolarHBondContact CB-NE2 3.24Å; N483-H506 WeakPolarHBondContact CB-O 3.43Å; N483-H506 PolarHBondContact ND2-NE2 3.41Å; N484-H506 PolarHBondContact N-O 3.47Å; S504-H506 PolarHBondContact OG-CD2 3.07Å; H506-N508 VanDerWaalsContact C-N 3.33Å; H506-N508 PolarHBondContact O-N 3.06Å; H506-N508 PolarHBondContact O-ND2 3.15Å; H506-D529 HydrophobicContact CB-CB 4.48Å; H506-D529 IonicContact CD2-OD2 3.01Å; H506-D529 PolarHBondContact CD2-OD2 2.9Å; H506-D529 IonicContact CG-OD2 3.65Å; H506-D529 PolarHBondContact N-O 3.33Å; H506-D529 IonicContact NE2-OD2 2.78Å; H506-H531 CarbonylContact C-O 3.53Å; H506-H531 WeakPolarHBondContact CA-O 3.22Å; H506-H531 HydrophobicContact CB-CB 4.48Å; H506-H531 VanDerWaalsContact CB-CE1 3.49Å; H506-H531 WeakPolarHBondContact CB-CE1 3.43Å; H506-H531 WeakPolarHBondContact CB-ND1 3.36Å; H506-H531 VanDerWaalsContact CB-O 3.31Å; H506-H531 WeakPolarHBondContact CB-O 3.48Å; H506-H531 AromaticContact CD2-CE1 3.76Å; H506-H531 AromaticContact CE1-CE1 3.8Å; H506-H531 AromaticContact CE1-NE2 3.86Å; H506-H531 AromaticContact CG-CE1 3.27Å; H506-H531 AromaticContact CG-ND1 3.71Å; H506-H531 AromaticContact CG-NE2 3.64Å; H506-H531 AromaticContact ND1-CE1 3.27Å; H506-H531 PolarHBondContact ND1-CE1 2.91Å; H506-H531 VanDerWaalsContact ND1-CE1 3.27Å; H506-H531 AromaticContact ND1-NE2 3.2Å; H506-H531 PolarHBondContact ND1-NE2 2.9Å; H506-H531 VanDerWaalsContact ND1-NE2 3.2Å
507	N	86.5	Confident	90.1	Very high	59 Å²	59	33.2 Å²	33.2	32%	0.316	19%	0.194	S	C	.	.	S	Bend	trans	51.4	49.4	-177.7	-61.2	4.2	0	0	0	112.7	N484 N485 H531	N484-N507 VanDerWaalsContact CA-O 3.27Å; N484-N507 WeakPolarHBondContact CA-O 3.38Å; N484-N507 PolarHBondContact N-O 2.93Å; N484-N507 VanDerWaalsContact OD1-CB 3.27Å; N484-N507 WeakPolarHBondContact OD1-CB 3.37Å; N484-N507 PolarHBondContact OD1-ND2 2.91Å; N485-N507 PolarHBondContact N-O 2.95Å; N507-H531 PolarHBondContact N-O 3.1Å; N507-H531 PolarHBondContact OD1-CD2 3.18Å
508	N	94.7	Very high	90.3	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	17%	0.167	C	C	.	.	S	Bend	trans	-114.4	-167.1	168.7	-86	-83.3	0	0	0	109.4	L482 N485 L487 L505 H506 F510 N533 P534	L482-N508 PolarHBondContact O-ND2 3.09Å; N485-N508 WeakPolarHBondContact CA-OD1 3.46Å; N485-N508 WeakPolarHBondContact CB-OD1 3.35Å; N485-N508 PolarHBondContact O-OD1 2.94Å; L487-N508 HydrophobicContact CB-CB 4.35Å; L487-N508 VanDerWaalsContact CB-OD1 3.28Å; L487-N508 WeakPolarHBondContact CB-OD1 3.35Å; L487-N508 WeakPolarHBondContact CG-OD1 3.43Å; L487-N508 PolarHBondContact N-OD1 2.94Å; L487-N508 VanDerWaalsContact N-OD1 3.15Å; L505-N508 PolarHBondContact O-ND2 2.95Å; L505-N508 VanDerWaalsContact O-ND2 3.11Å; H506-N508 VanDerWaalsContact C-N 3.33Å; H506-N508 PolarHBondContact O-N 3.06Å; H506-N508 PolarHBondContact O-ND2 3.15Å; N508-F510 HydrophobicContact CB-CD2 3.7Å; N508-F510 HydrophobicContact CB-CE2 3.6Å; N508-F510 HydrophobicContact CB-CZ 4.47Å; N508-N533 VanDerWaalsContact CA-OD1 3.27Å; N508-N533 WeakPolarHBondContact CA-OD1 3.5Å; N508-N533 WeakPolarHBondContact CB-OD1 3.13Å; N508-N533 PolarHBondContact N-OD1 3.29Å; N508-N533 PolarHBondContact O-OD1 3.04Å; N508-N533 VanDerWaalsContact O-OD1 3.11Å; N508-P534 WeakPolarHBondContact O-CD 3.35Å
509	Y	95.6	Very high	90	Very high	128 Å²	128	30.2 Å²	30.2	50%	0.502	17%	0.165	S	C	.	.			trans	-117.2	32.3	-176.4	-66.2	-97.5	0	0	0	112.2	L486 L487 P511 N533	L486-Y509 HydrophobicContact CD2-CD2 4.29Å; L486-Y509 HydrophobicContact CD2-CE2 3.66Å; L487-Y509 CarbonylContact O-C 3.53Å; L487-Y509 VanDerWaalsContact O-CA 3.23Å; L487-Y509 WeakPolarHBondContact O-CA 3.15Å; L487-Y509 WeakPolarHBondContact O-CB 3.22Å; L487-Y509 PolarHBondContact O-N 2.88Å; Y509-P511 WeakPolarHBondContact O-CD 3.31Å; Y509-N533 PolarHBondContact N-OD1 3.23Å
510	F	94.9	Very high	89.9	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.			trans	-71.5	121.5	179.1	-63.6	-63.6	0	0	0	112.1	L487 L490 L505 N508 L513 N533 P534 W535	L487-F510 HydrophobicContact CB-CE1 3.73Å; L487-F510 HydrophobicContact CB-CE2 4.09Å; L487-F510 HydrophobicContact CB-CZ 3.4Å; L487-F510 HydrophobicContact CD1-CZ 3.88Å; L487-F510 HydrophobicContact CG-CZ 4.27Å; L487-F510 PolarHBondContact O-N 2.92Å; L490-F510 HydrophobicContact CD2-CE1 4.1Å; L490-F510 HydrophobicContact CD2-CZ 3.94Å; L490-F510 HydrophobicContact CG-CE1 3.93Å; L490-F510 HydrophobicContact CG-CZ 4.07Å; L505-F510 HydrophobicContact CB-CE2 4.13Å; L505-F510 HydrophobicContact CD2-CE2 3.99Å; L505-F510 HydrophobicContact CD2-CZ 4.18Å; L505-F510 HydrophobicContact CG-CE2 4.48Å; N508-F510 HydrophobicContact CB-CD2 3.7Å; N508-F510 HydrophobicContact CB-CE2 3.6Å; N508-F510 HydrophobicContact CB-CZ 4.47Å; F510-L513 HydrophobicContact CB-CD2 4.3Å; F510-L513 HydrophobicContact CD1-CD2 3.47Å; F510-L513 VanDerWaalsContact CD1-CD2 3.47Å; F510-L513 HydrophobicContact CD2-CD2 4.12Å; F510-L513 HydrophobicContact CE1-CD2 3.7Å; F510-L513 HydrophobicContact CE2-CD2 4.34Å; F510-L513 HydrophobicContact CG-CD2 3.71Å; F510-L513 HydrophobicContact CG-CG 4.43Å; F510-L513 HydrophobicContact CZ-CD2 4.13Å; F510-N533 HydrophobicContact CB-CB 4.43Å; F510-N533 WeakPolarHBondContact CD2-OD1 3.47Å; F510-N533 PolarHBondContact N-OD1 3.12Å; F510-P534 CarbonylContact O-C 3.48Å; F510-P534 WeakPolarHBondContact O-CD 3.25Å; F510-W535 HydrophobicContact CB-CE3 4.49Å; F510-W535 HydrophobicContact CB-CH2 3.9Å; F510-W535 HydrophobicContact CB-CZ3 3.73Å
511	P	91.6	Very high	89.6	Confident	40 Å²	40	31.5 Å²	31.5	26%	0.26	17%	0.165	S	C	.	.	S	Bend	trans	-80.9	-33.9	167.8	32.4	-29.5	0	0	0	111.2	K488 Y509 P534 W535 D536	K488-P511 WeakPolarHBondContact O-CD 3.47Å; Y509-P511 WeakPolarHBondContact O-CD 3.31Å; P511-P534 WeakPolarHBondContact CA-O 3.39Å; P511-W535 CarbonylContact O-C 3.51Å; P511-W535 WeakPolarHBondContact O-CA 3.43Å; P511-D536 HydrophobicContact CB-CB 3.83Å; P511-D536 PolarHBondContact O-N 2.96Å
512	Y	91.9	Very high	89.6	Confident	93 Å²	93	31.3 Å²	31.3	37%	0.365	16%	0.163	S	C	.	.			trans	-157.8	161.7	170.8	62.6	-88.3	0	0	0	108.3	N540	Y512-N540 HydrophobicContact CD1-CB 3.89Å; Y512-N540 HydrophobicContact CE1-CB 3.94Å; Y512-N540 HydrophobicContact CG-CB 4.23Å
513	L	92.2	Very high	89.4	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.197	C	C	.	.			trans	-110.1	132.8	171.4	-69.3	176.2	0	0	0	110.2	L490 L505 F510 L519 L530 W535 F544	L490-L513 HydrophobicContact CD1-CD2 3.93Å; L490-L513 HydrophobicContact CG-CD2 4Å; L505-L513 HydrophobicContact CD1-CD1 4.25Å; F510-L513 HydrophobicContact CB-CD2 4.3Å; F510-L513 HydrophobicContact CD1-CD2 3.47Å; F510-L513 VanDerWaalsContact CD1-CD2 3.47Å; F510-L513 HydrophobicContact CD2-CD2 4.12Å; F510-L513 HydrophobicContact CE1-CD2 3.7Å; F510-L513 HydrophobicContact CE2-CD2 4.34Å; F510-L513 HydrophobicContact CG-CD2 3.71Å; F510-L513 HydrophobicContact CG-CG 4.43Å; F510-L513 HydrophobicContact CZ-CD2 4.13Å; L513-L519 HydrophobicContact CB-CD1 3.61Å; L513-L519 HydrophobicContact CB-CG 4.41Å; L513-L519 HydrophobicContact CD1-CD1 4.24Å; L513-L519 HydrophobicContact CD1-CD2 4.39Å; L513-L530 HydrophobicContact CD1-CD2 3.58Å; L513-W535 HydrophobicContact CD1-CH2 3.96Å; L513-W535 HydrophobicContact CG-CH2 3.94Å; L513-W535 HydrophobicContact CG-CZ3 4.03Å; L513-F544 HydrophobicContact CB-CD1 4.47Å; L513-F544 HydrophobicContact CB-CD2 3.92Å; L513-F544 HydrophobicContact CB-CE1 4.49Å; L513-F544 HydrophobicContact CB-CE2 3.95Å; L513-F544 HydrophobicContact CB-CG 4.2Å; L513-F544 HydrophobicContact CB-CZ 4.25Å; L513-F544 HydrophobicContact CD1-CE2 3.91Å; L513-F544 HydrophobicContact CD1-CZ 3.83Å; L513-F544 HydrophobicContact CG-CE2 4.38Å; L513-F544 HydrophobicContact CG-CZ 4.28Å; L513-F544 WeakPolarHBondContact O-CB 3.16Å
514	P	90.6	Very high	89.1	Confident	35 Å²	35	40.7 Å²	40.7	23%	0.227	22%	0.219	C	C	.	.			trans	-65.7	137.9	172.6	28.7	-34.3	0	0	0	109.9	V518 L519	P514-V518 HydrophobicContact CB-CG2 4.34Å; P514-V518 HydrophobicContact CG-CB 4.17Å; P514-V518 HydrophobicContact CG-CG1 4.45Å; P514-V518 HydrophobicContact CG-CG2 3.76Å; P514-V518 WeakPolarHBondContact O-CB 3.01Å; P514-L519 WeakPolarHBondContact O-CG 3.03Å
515	V	88.4	Confident	88.8	Confident	19 Å²	19	41 Å²	41	12%	0.115	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-53.9	175.5	176.6	0	0	0	0	111.2	G517 V518 L519 D520 P543 F544 W547	V515-G517 PolarHBondContact O-N 3.15Å; V515-V518 PolarHBondContact O-N 3.4Å; V515-V518 VanDerWaalsContact O-N 3.16Å; V515-L519 HydrophobicContact CG2-CD1 4.33Å; V515-L519 PolarHBondContact O-N 2.86Å; V515-D520 HydrophobicContact CG1-CB 4.46Å; V515-D520 PolarHBondContact O-N 3.41Å; V515-D520 VanDerWaalsContact O-N 3.13Å; V515-D520 VanDerWaalsContact O-OD1 3.06Å; V515-P543 HydrophobicContact CG2-CB 4.27Å; V515-P543 WeakPolarHBondContact CG2-O 3.04Å; V515-F544 HydrophobicContact CG2-CB 4.42Å; V515-W547 HydrophobicContact CB-CB 4.39Å; V515-W547 HydrophobicContact CG1-CB 3.91Å; V515-W547 HydrophobicContact CG1-CG 3.99Å; V515-W547 HydrophobicContact CG2-CB 3.51Å; V515-W547 HydrophobicContact CG2-CG 4.02Å
516	T	87	Confident	88.1	Confident	115 Å²	115	43.4 Å²	43.4	71%	0.706	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	120.9	-174.8	-52.5	0	0	0	0	111.7	V518 D520	T516-V518 VanDerWaalsContact C-N 3.3Å; T516-D520 WeakPolarHBondContact CA-OD2 3.31Å
517	G	84	Confident	87.7	Confident	13 Å²	13	43.6 Å²	43.6	13%	0.134	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	22.6	-177.3	0	0	0	0	0	114.3	D493 V515 D520 Q521	D493-G517 PolarHBondContact N-O 3.34Å; V515-G517 PolarHBondContact O-N 3.15Å; G517-D520 VanDerWaalsContact CA-OD1 3.22Å; G517-D520 WeakPolarHBondContact CA-OD1 3.46Å; G517-D520 PolarHBondContact N-OD1 2.8Å; G517-D520 PolarHBondContact N-OD2 3.12Å; G517-Q521 PolarHBondContact O-NE2 2.8Å
518	V	90	Very high	87.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.8	-73.1	175.1	-179.4	0	0	0	0	110.3	L490 P491 A494 F495 P514 V515 T516 D520 Q521	L490-V518 HydrophobicContact CB-CG1 3.98Å; L490-V518 HydrophobicContact CD1-CG1 4.03Å; P491-V518 WeakPolarHBondContact O-CG2 3.3Å; A494-V518 HydrophobicContact CB-CG1 4.32Å; F495-V518 HydrophobicContact CD2-CG1 4.01Å; F495-V518 HydrophobicContact CE2-CG1 3.93Å; P514-V518 HydrophobicContact CB-CG2 4.34Å; P514-V518 HydrophobicContact CG-CB 4.17Å; P514-V518 HydrophobicContact CG-CG1 4.45Å; P514-V518 HydrophobicContact CG-CG2 3.76Å; P514-V518 WeakPolarHBondContact O-CB 3.01Å; V515-V518 PolarHBondContact O-N 3.4Å; V515-V518 VanDerWaalsContact O-N 3.16Å; T516-V518 VanDerWaalsContact C-N 3.3Å; V518-D520 PolarHBondContact N-OD1 2.96Å; V518-Q521 WeakPolarHBondContact O-CB 3Å; V518-Q521 PolarHBondContact O-N 3.31Å
519	L	88.1	Confident	87	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-81.4	-22.2	-175.6	-64.8	177.4	0	0	0	112.6	L513 P514 V515 Q521 L522 F544 W547	L513-L519 HydrophobicContact CB-CD1 3.61Å; L513-L519 HydrophobicContact CB-CG 4.41Å; L513-L519 HydrophobicContact CD1-CD1 4.24Å; L513-L519 HydrophobicContact CD1-CD2 4.39Å; P514-L519 WeakPolarHBondContact O-CG 3.03Å; V515-L519 HydrophobicContact CG2-CD1 4.33Å; V515-L519 PolarHBondContact O-N 2.86Å; L519-Q521 PolarHBondContact O-N 3.23Å; L519-L522 HydrophobicContact CD2-CD1 3.89Å; L519-L522 PolarHBondContact O-N 2.72Å; L519-F544 HydrophobicContact CD1-CD2 3.48Å; L519-F544 VanDerWaalsContact CD1-CD2 3.48Å; L519-F544 HydrophobicContact CD1-CE2 3.59Å; L519-W547 HydrophobicContact CB-CD2 3.93Å; L519-W547 VanDerWaalsContact CB-CE2 3.44Å; L519-W547 HydrophobicContact CB-CG 4.33Å; L519-W547 HydrophobicContact CB-CH2 4.26Å; L519-W547 HydrophobicContact CB-CZ2 3.59Å; L519-W547 HydrophobicContact CD1-CD2 4Å; L519-W547 HydrophobicContact CD1-CE3 3.85Å; L519-W547 HydrophobicContact CD1-CH2 4.17Å; L519-W547 HydrophobicContact CD1-CZ2 4.29Å; L519-W547 HydrophobicContact CD1-CZ3 3.96Å; L519-W547 HydrophobicContact CD2-CH2 3.95Å; L519-W547 HydrophobicContact CD2-CZ2 4Å; L519-W547 HydrophobicContact CD2-CZ3 4.5Å; L519-W547 HydrophobicContact CG-CH2 4.38Å; L519-W547 HydrophobicContact CG-CZ2 4.18Å; L519-W547 PolarHBondContact O-NE1 3.31Å
520	D	86.1	Confident	86.7	Confident	71 Å²	71	35.2 Å²	35.2	38%	0.38	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-68.4	-8.9	168	60.7	-3.5	0	0	0	113.9	V515 T516 G517 V518	V515-D520 HydrophobicContact CG1-CB 4.46Å; V515-D520 PolarHBondContact O-N 3.41Å; V515-D520 VanDerWaalsContact O-N 3.13Å; V515-D520 VanDerWaalsContact O-OD1 3.06Å; T516-D520 WeakPolarHBondContact CA-OD2 3.31Å; G517-D520 VanDerWaalsContact CA-OD1 3.22Å; G517-D520 WeakPolarHBondContact CA-OD1 3.46Å; G517-D520 PolarHBondContact N-OD1 2.8Å; G517-D520 PolarHBondContact N-OD2 3.12Å; V518-D520 PolarHBondContact N-OD1 2.96Å
521	Q	86.4	Confident	86.1	Confident	33 Å²	33	37.2 Å²	37.2	15%	0.154	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-83.3	-19.7	174.8	-54.5	-179.3	-29.6	0	0	112	D493 F495 L496 G517 V518 L519 N523	D493-Q521 PolarHBondContact OD1-NE2 3.43Å; F495-Q521 HydrophobicContact CB-CB 4.33Å; L496-Q521 VanDerWaalsContact N-OE1 3.08Å; G517-Q521 PolarHBondContact O-NE2 2.8Å; V518-Q521 WeakPolarHBondContact O-CB 3Å; V518-Q521 PolarHBondContact O-N 3.31Å; L519-Q521 PolarHBondContact O-N 3.23Å; Q521-N523 PolarHBondContact O-N 3.45Å; Q521-N523 PolarHBondContact O-ND2 2.84Å
522	L	86.1	Confident	85.6	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.042	22%	0.219	C	C	.	.			trans	-84.2	67	-172.8	-61	178.8	0	0	0	113.2	F495 L500 L519 S524 I525 W547	F495-L522 HydrophobicContact CB-CD2 4.1Å; F495-L522 HydrophobicContact CD2-CD1 4.2Å; F495-L522 HydrophobicContact CD2-CD2 3.83Å; F495-L522 HydrophobicContact CD2-CG 4.07Å; F495-L522 HydrophobicContact CE2-CD1 4.2Å; F495-L522 HydrophobicContact CE2-CD2 4.44Å; F495-L522 HydrophobicContact CG-CD2 3.97Å; L500-L522 HydrophobicContact CB-CD2 4.36Å; L500-L522 HydrophobicContact CD1-CD2 4.04Å; L519-L522 HydrophobicContact CD2-CD1 3.89Å; L519-L522 PolarHBondContact O-N 2.72Å; L522-S524 PolarHBondContact O-N 2.94Å; L522-I525 HydrophobicContact CB-CB 4.38Å; L522-I525 HydrophobicContact CB-CG2 4.3Å; L522-I525 WeakPolarHBondContact O-CG2 3.29Å; L522-W547 HydrophobicContact CD1-CZ2 4.4Å
523	N	81.6	Confident	85.6	Confident	142 Å²	142	33.7 Å²	33.7	76%	0.759	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-9.6	-173.4	-66.2	-69.8	0	0	0	115.7	Q521	Q521-N523 PolarHBondContact O-N 3.45Å; Q521-N523 PolarHBondContact O-ND2 2.84Å
524	S	84.8	Confident	85.6	Confident	67 Å²	67	35.1 Å²	35.1	47%	0.469	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	15.4	-175.3	-55.8	0	0	0	0	113.3	L500 L522 I526	L500-S524 CarbonylContact O-C 3.54Å; L500-S524 VanDerWaalsContact O-C 3.26Å; L522-S524 PolarHBondContact O-N 2.94Å; S524-I526 PolarHBondContact O-N 2.96Å
525	I	84.8	Confident	85.7	Confident	15 Å²	15	33.6 Å²	33.6	8%	0.077	20%	0.203	C	C	.	.			trans	-73.7	123.5	-173.3	-165.7	76	0	0	0	111.2	L500 I503 L522 I528 L551 V555	L500-I525 HydrophobicContact CB-CD1 4.33Å; L500-I525 WeakPolarHBondContact O-CA 3.27Å; L500-I525 PolarHBondContact O-N 2.86Å; I503-I525 HydrophobicContact CB-CD1 4.19Å; I503-I525 HydrophobicContact CG2-CD1 3.69Å; L522-I525 HydrophobicContact CB-CB 4.38Å; L522-I525 HydrophobicContact CB-CG2 4.3Å; L522-I525 WeakPolarHBondContact O-CG2 3.29Å; I525-I528 HydrophobicContact CG1-CB 4.28Å; I525-L551 HydrophobicContact CG2-CD1 4.42Å; I525-L551 HydrophobicContact CG2-CD2 3.9Å; I525-V555 HydrophobicContact CG1-CG1 4.39Å; I525-V555 HydrophobicContact CG2-CG1 4.09Å
526	I	78.5	Confident	85.9	Confident	52 Å²	52	34.1 Å²	34.1	27%	0.267	21%	0.205	S	C	.	.	S	Bend	trans	-97.7	-36.8	177.5	-57.5	176.4	0	0	0	109.9	S501 S524	S501-I526 PolarHBondContact O-N 2.9Å; S524-I526 PolarHBondContact O-N 2.96Å
527	Q	77.3	Confident	86	Confident	20 Å²	20	28.6 Å²	28.6	9%	0.093	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	121.4	-176.1	-171.3	-177.6	3.1	0	0	110.8	S501 K502 I503 V557	S501-Q527 PolarHBondContact O-N 2.79Å; K502-Q527 WeakPolarHBondContact CA-O 3.36Å; K502-Q527 HydrophobicContact CG-CB 4.26Å; I503-Q527 PolarHBondContact N-O 2.94Å; I503-Q527 VanDerWaalsContact N-O 3.1Å; Q527-V557 HydrophobicContact CG-CG2 3.33Å
528	I	87.3	Confident	86.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128	167.5	-170.1	165.5	0	0	0	111.2	I503 I525 L530 W547 V555 I556 V557	I503-I528 HydrophobicContact CG2-CB 4.08Å; I503-I528 HydrophobicContact CG2-CD1 3.61Å; I503-I528 HydrophobicContact CG2-CG1 3.52Å; I503-I528 WeakPolarHBondContact O-CA 3.47Å; I525-I528 HydrophobicContact CG1-CB 4.28Å; I528-L530 HydrophobicContact CD1-CD1 3.87Å; I528-L530 HydrophobicContact CD1-CD2 4.42Å; I528-L530 HydrophobicContact CD1-CG 4.15Å; I528-L530 HydrophobicContact CG1-CD1 3.93Å; I528-L530 HydrophobicContact CG1-CG 3.93Å; I528-L530 HydrophobicContact CG2-CD1 4.18Å; I528-W547 HydrophobicContact CD1-CH2 3.91Å; I528-V555 HydrophobicContact CG2-CG1 4.07Å; I528-V555 PolarHBondContact N-O 2.83Å; I528-I556 HydrophobicContact CG2-CB 4.36Å; I528-I556 HydrophobicContact CG2-CG1 3.75Å; I528-V557 WeakPolarHBondContact O-CB 3.39Å; I528-V557 WeakPolarHBondContact O-CG2 3.35Å; I528-V557 PolarHBondContact O-N 3.49Å
529	D	80.9	Confident	86.2	Confident	14 Å²	14	32.3 Å²	32.3	8%	0.075	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132	172.3	-167	3.5	0	0	0	111.6	I503 L505 H506 H531 V557	I503-D529 PolarHBondContact O-N 3Å; I503-D529 VanDerWaalsContact O-N 3.09Å; L505-D529 CarbonylContact C-O 3.1Å; L505-D529 WeakPolarHBondContact CA-O 3.27Å; L505-D529 PolarHBondContact N-O 3.44Å; H506-D529 HydrophobicContact CB-CB 4.48Å; H506-D529 IonicContact CD2-OD2 3.01Å; H506-D529 PolarHBondContact CD2-OD2 2.9Å; H506-D529 IonicContact CG-OD2 3.65Å; H506-D529 PolarHBondContact N-O 3.33Å; H506-D529 IonicContact NE2-OD2 2.78Å; D529-H531 VanDerWaalsContact CG-ND1 3.27Å; D529-H531 IonicContact OD1-CE1 3.44Å; D529-H531 IonicContact OD1-CG 3.15Å; D529-H531 PolarHBondContact OD1-N 2.97Å; D529-H531 IonicContact OD1-ND1 3.58Å; D529-H531 PolarHBondContact OD1-ND1 3.12Å; D529-H531 IonicContact OD2-CE1 3.39Å; D529-H531 PolarHBondContact OD2-CE1 2.8Å; D529-H531 IonicContact OD2-ND1 3.74Å; D529-H531 PolarHBondContact OD2-ND1 3.02Å; D529-V557 HydrophobicContact CB-CB 4.11Å; D529-V557 HydrophobicContact CB-CG1 4.08Å; D529-V557 HydrophobicContact CB-CG2 4.49Å
530	L	88.3	Confident	86.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.219	C	C	.	.			trans	-140.6	3.5	-165.7	-78.8	163.9	0	0	0	112.9	L505 L513 I528 N533 W535 F544 I556 L560	L505-L530 HydrophobicContact CB-CD2 4.03Å; L505-L530 HydrophobicContact CD1-CD2 4.19Å; L513-L530 HydrophobicContact CD1-CD2 3.58Å; I528-L530 HydrophobicContact CD1-CD1 3.87Å; I528-L530 HydrophobicContact CD1-CD2 4.42Å; I528-L530 HydrophobicContact CD1-CG 4.15Å; I528-L530 HydrophobicContact CG1-CD1 3.93Å; I528-L530 HydrophobicContact CG1-CG 3.93Å; I528-L530 HydrophobicContact CG2-CD1 4.18Å; L530-N533 PolarHBondContact O-ND2 3.28Å; L530-W535 HydrophobicContact CB-CZ2 4.15Å; L530-W535 HydrophobicContact CD2-CH2 3.97Å; L530-W535 HydrophobicContact CD2-CZ2 3.97Å; L530-F544 HydrophobicContact CD1-CZ 4.02Å; L530-F544 HydrophobicContact CD2-CZ 4.39Å; L530-I556 HydrophobicContact CD1-CG2 4.34Å; L530-L560 HydrophobicContact CB-CD2 3.58Å
531	H	81.8	Confident	86.3	Confident	42 Å²	42	33.4 Å²	33.4	19%	0.194	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	167.3	-176.9	73.5	-97.3	0	0	0	113.4	H506 N507 D529 N533	H506-H531 CarbonylContact C-O 3.53Å; H506-H531 WeakPolarHBondContact CA-O 3.22Å; H506-H531 HydrophobicContact CB-CB 4.48Å; H506-H531 VanDerWaalsContact CB-CE1 3.49Å; H506-H531 WeakPolarHBondContact CB-CE1 3.43Å; H506-H531 WeakPolarHBondContact CB-ND1 3.36Å; H506-H531 VanDerWaalsContact CB-O 3.31Å; H506-H531 WeakPolarHBondContact CB-O 3.48Å; H506-H531 AromaticContact CD2-CE1 3.76Å; H506-H531 AromaticContact CE1-CE1 3.8Å; H506-H531 AromaticContact CE1-NE2 3.86Å; H506-H531 AromaticContact CG-CE1 3.27Å; H506-H531 AromaticContact CG-ND1 3.71Å; H506-H531 AromaticContact CG-NE2 3.64Å; H506-H531 AromaticContact ND1-CE1 3.27Å; H506-H531 PolarHBondContact ND1-CE1 2.91Å; H506-H531 VanDerWaalsContact ND1-CE1 3.27Å; H506-H531 AromaticContact ND1-NE2 3.2Å; H506-H531 PolarHBondContact ND1-NE2 2.9Å; H506-H531 VanDerWaalsContact ND1-NE2 3.2Å; N507-H531 PolarHBondContact N-O 3.1Å; N507-H531 PolarHBondContact OD1-CD2 3.18Å; D529-H531 VanDerWaalsContact CG-ND1 3.27Å; D529-H531 IonicContact OD1-CE1 3.44Å; D529-H531 IonicContact OD1-CG 3.15Å; D529-H531 PolarHBondContact OD1-N 2.97Å; D529-H531 IonicContact OD1-ND1 3.58Å; D529-H531 PolarHBondContact OD1-ND1 3.12Å; D529-H531 IonicContact OD2-CE1 3.39Å; D529-H531 PolarHBondContact OD2-CE1 2.8Å; D529-H531 IonicContact OD2-ND1 3.74Å; D529-H531 PolarHBondContact OD2-ND1 3.02Å; H531-N533 PolarHBondContact O-N 2.92Å; H531-N533 VanDerWaalsContact O-N 3.12Å; H531-N533 PolarHBondContact O-ND2 2.99Å
532	G	81.8	Confident	86.4	Confident	52 Å²	52	32.9 Å²	32.9	54%	0.536	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	18.2	174.3	0	0	0	0	0	115.2
533	N	91.1	Very high	86.5	Confident	7 Å²	7	35.5 Å²	35.5	4%	0.037	22%	0.217	C	C	.	.			trans	-98.8	143.3	174.4	-81	-73.9	0	0	0	111.5	L505 N508 Y509 F510 L530 H531 W535	L505-N533 PolarHBondContact O-ND2 2.56Å; N508-N533 VanDerWaalsContact CA-OD1 3.27Å; N508-N533 WeakPolarHBondContact CA-OD1 3.5Å; N508-N533 WeakPolarHBondContact CB-OD1 3.13Å; N508-N533 PolarHBondContact N-OD1 3.29Å; N508-N533 PolarHBondContact O-OD1 3.04Å; N508-N533 VanDerWaalsContact O-OD1 3.11Å; Y509-N533 PolarHBondContact N-OD1 3.23Å; F510-N533 HydrophobicContact CB-CB 4.43Å; F510-N533 WeakPolarHBondContact CD2-OD1 3.47Å; F510-N533 PolarHBondContact N-OD1 3.12Å; L530-N533 PolarHBondContact O-ND2 3.28Å; H531-N533 PolarHBondContact O-N 2.92Å; H531-N533 VanDerWaalsContact O-N 3.12Å; H531-N533 PolarHBondContact O-ND2 2.99Å; N533-W535 VanDerWaalsContact C-N 3.3Å; N533-W535 HydrophobicContact CB-CD2 4.13Å; N533-W535 HydrophobicContact CB-CH2 4.18Å; N533-W535 HydrophobicContact CB-CZ2 3.55Å; N533-W535 VanDerWaalsContact O-CD1 3.29Å; N533-W535 PolarHBondContact O-N 2.99Å
534	P	92.1	Very high	86.9	Confident	32 Å²	32	28.8 Å²	28.8	21%	0.208	18%	0.181	C	C	.	.			trans	-82.1	64.7	-175.7	35.7	-39.1	0	0	0	112.5	N508 F510 P511 D536 E563	N508-P534 WeakPolarHBondContact O-CD 3.35Å; F510-P534 CarbonylContact O-C 3.48Å; F510-P534 WeakPolarHBondContact O-CD 3.25Å; P511-P534 WeakPolarHBondContact CA-O 3.39Å; P534-D536 PolarHBondContact O-N 3.15Å; P534-E563 WeakPolarHBondContact CA-OE2 3.39Å; P534-E563 HydrophobicContact CB-CB 4.05Å; P534-E563 HydrophobicContact CB-CG 4.37Å; P534-E563 VanDerWaalsContact CB-OE2 3.3Å; P534-E563 WeakPolarHBondContact CB-OE2 3.4Å
535	W	93.5	Very high	87	Confident	2 Å²	2	26 Å²	26	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	125.5	-172.3	-59.8	112.8	0	0	0	113.3	F510 P511 L513 L530 N533 I541 F544 C562 E563 S564 F573	F510-W535 HydrophobicContact CB-CE3 4.49Å; F510-W535 HydrophobicContact CB-CH2 3.9Å; F510-W535 HydrophobicContact CB-CZ3 3.73Å; P511-W535 CarbonylContact O-C 3.51Å; P511-W535 WeakPolarHBondContact O-CA 3.43Å; L513-W535 HydrophobicContact CD1-CH2 3.96Å; L513-W535 HydrophobicContact CG-CH2 3.94Å; L513-W535 HydrophobicContact CG-CZ3 4.03Å; L530-W535 HydrophobicContact CB-CZ2 4.15Å; L530-W535 HydrophobicContact CD2-CH2 3.97Å; L530-W535 HydrophobicContact CD2-CZ2 3.97Å; N533-W535 VanDerWaalsContact C-N 3.3Å; N533-W535 HydrophobicContact CB-CD2 4.13Å; N533-W535 HydrophobicContact CB-CH2 4.18Å; N533-W535 HydrophobicContact CB-CZ2 3.55Å; N533-W535 VanDerWaalsContact O-CD1 3.29Å; N533-W535 PolarHBondContact O-N 2.99Å; W535-I541 HydrophobicContact CB-CD1 3.95Å; W535-I541 HydrophobicContact CD2-CD1 4.5Å; W535-I541 HydrophobicContact CE3-CD1 4.11Å; W535-I541 HydrophobicContact CG-CD1 4.48Å; W535-F544 HydrophobicContact CD2-CE1 4.3Å; W535-F544 HydrophobicContact CE3-CD1 4.26Å; W535-F544 AromaticContact CE3-CE1 3.77Å; W535-F544 HydrophobicContact CE3-CE1 3.77Å; W535-F544 AromaticContact CH2-CE1 3.46Å; W535-F544 HydrophobicContact CH2-CE1 3.46Å; W535-F544 VanDerWaalsContact CH2-CE1 3.46Å; W535-F544 AromaticContact CH2-CZ 3.77Å; W535-F544 HydrophobicContact CH2-CZ 3.77Å; W535-F544 AromaticContact CZ2-CE1 3.99Å; W535-F544 HydrophobicContact CZ2-CE1 3.99Å; W535-F544 HydrophobicContact CZ2-CZ 4.27Å; W535-F544 AromaticContact CZ3-CD1 3.99Å; W535-F544 HydrophobicContact CZ3-CD1 3.99Å; W535-F544 AromaticContact CZ3-CE1 3.33Å; W535-F544 HydrophobicContact CZ3-CE1 3.33Å; W535-F544 HydrophobicContact CZ3-CZ 4.07Å; W535-C562 CarbonylContact O-C 3.52Å; W535-C562 WeakPolarHBondContact O-CA 3.36Å; W535-E563 PolarHBondContact O-N 2.81Å; W535-S564 PolarHBondContact O-N 3.21Å; W535-S564 VanDerWaalsContact O-N 3.14Å; W535-F573 HydrophobicContact CB-CD1 3.95Å; W535-F573 HydrophobicContact CB-CE1 4.22Å; W535-F573 HydrophobicContact CD2-CD1 4.42Å; W535-F573 AromaticContact CD2-CE1 3.79Å; W535-F573 HydrophobicContact CD2-CE1 3.79Å; W535-F573 HydrophobicContact CE3-CE1 4.26Å; W535-F573 AromaticContact CG-CD1 3.92Å; W535-F573 HydrophobicContact CG-CD1 3.92Å; W535-F573 AromaticContact CG-CE1 3.75Å; W535-F573 HydrophobicContact CG-CE1 3.75Å
536	D	92.3	Very high	87	Confident	30 Å²	30	29.2 Å²	29.2	16%	0.16	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	100.9	174.4	175.7	39.1	0	0	0	110.5	P511 P534 S538 I541 S564	P511-D536 HydrophobicContact CB-CB 3.83Å; P511-D536 PolarHBondContact O-N 2.96Å; P534-D536 PolarHBondContact O-N 3.15Å; D536-S538 PolarHBondContact O-N 3.1Å; D536-S538 PolarHBondContact OD1-OG 3.16Å; D536-S538 WeakPolarHBondContact OD2-CB 3.43Å; D536-S538 PolarHBondContact OD2-OG 3.07Å; D536-I541 WeakPolarHBondContact O-CB 3.43Å; D536-S564 VanDerWaalsContact OD1-CB 3.31Å; D536-S564 WeakPolarHBondContact OD1-CB 3.49Å; D536-S564 PolarHBondContact OD1-OG 3.11Å
537	C	89.7	Confident	87.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.166	C	C	.	.			trans	-79.1	38.9	-176.6	-62	0	0	0	0	114	C562 S564 F568 F573 M581	C537-C562 HydrophobicContact CB-CB 3.88Å; C537-C562 WeakPolarHBondContact CB-SG 3.22Å; C537-C562 VanDerWaalsContact SG-CA 3.5Å; C537-C562 WeakPolarHBondContact SG-CB 3.34Å; C537-C562 CovalentContact SG-SG 2.02Å; C537-C562 PolarHBondContact SG-SG 3.47Å; C537-S564 WeakPolarHBondContact CB-O 3.34Å; C537-S564 PolarHBondContact N-O 3.16Å; C537-F568 HydrophobicContact CB-CB 4.18Å; C537-F568 HydrophobicContact CB-CD2 3.95Å; C537-F568 HydrophobicContact CB-CG 4.46Å; C537-F573 WeakPolarHBondContact SG-CB 3.08Å; C537-M581 HydrophobicContact CB-CE 4.39Å
538	S	89.2	Confident	87.5	Confident	37 Å²	37	26.7 Å²	26.7	26%	0.259	16%	0.161	S	C	.	.	S	Bend	trans	-88.2	176.1	169.7	-62.1	0	0	0	0	110.4	D536 N540 I541 M581	D536-S538 PolarHBondContact O-N 3.1Å; D536-S538 PolarHBondContact OD1-OG 3.16Å; D536-S538 WeakPolarHBondContact OD2-CB 3.43Å; D536-S538 PolarHBondContact OD2-OG 3.07Å; S538-N540 PolarHBondContact O-N 3.4Å; S538-I541 WeakPolarHBondContact O-CG2 3.2Å; S538-I541 PolarHBondContact O-N 3.22Å; S538-M581 CarbonylContact C-O 3.59Å
539	C	88.1	Confident	86.9	Confident	54 Å²	54	28 Å²	28	37%	0.365	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-52.1	-27.6	-177.7	-170.1	0	0	0	0	114.6	I541 V542 M581 C582	C539-I541 VanDerWaalsContact C-N 3.28Å; C539-I541 PolarHBondContact O-N 3.18Å; C539-V542 WeakPolarHBondContact O-CB 3.05Å; C539-V542 WeakPolarHBondContact O-CG2 3.07Å; C539-V542 PolarHBondContact O-N 2.94Å; C539-M581 PolarHBondContact N-O 2.94Å; C539-C582 HydrophobicContact CB-CB 3.5Å; C539-C582 WeakPolarHBondContact CB-SG 3.32Å; C539-C582 WeakPolarHBondContact SG-CB 3.37Å; C539-C582 CovalentContact SG-SG 2.04Å; C539-C582 PolarHBondContact SG-SG 3Å
540	N	87	Confident	86.7	Confident	95 Å²	95	34.1 Å²	34.1	51%	0.508	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-63.6	-26.1	179.3	-62.8	-33.1	0	0	0	114.2	Y512 S538 V542 P543	Y512-N540 HydrophobicContact CD1-CB 3.89Å; Y512-N540 HydrophobicContact CE1-CB 3.94Å; Y512-N540 HydrophobicContact CG-CB 4.23Å; S538-N540 PolarHBondContact O-N 3.4Å; N540-V542 VanDerWaalsContact C-N 3.34Å; N540-P543 WeakPolarHBondContact O-CD 3.4Å
541	I	90	Very high	85.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-81.3	-14	178.9	-146.8	164.6	0	0	0	112.8	W535 D536 S538 C539 F544 K545 F573 M581	W535-I541 HydrophobicContact CB-CD1 3.95Å; W535-I541 HydrophobicContact CD2-CD1 4.5Å; W535-I541 HydrophobicContact CE3-CD1 4.11Å; W535-I541 HydrophobicContact CG-CD1 4.48Å; D536-I541 WeakPolarHBondContact O-CB 3.43Å; S538-I541 WeakPolarHBondContact O-CG2 3.2Å; S538-I541 PolarHBondContact O-N 3.22Å; C539-I541 VanDerWaalsContact C-N 3.28Å; C539-I541 PolarHBondContact O-N 3.18Å; I541-F544 HydrophobicContact CD1-CD1 4.27Å; I541-F544 HydrophobicContact CG1-CB 4.19Å; I541-F544 HydrophobicContact CG1-CD1 3.81Å; I541-F544 CarbonylContact O-C 3.17Å; I541-F544 WeakPolarHBondContact O-CA 3.38Å; I541-F544 WeakPolarHBondContact O-CB 3.41Å; I541-F544 PolarHBondContact O-N 3.29Å; I541-K545 WeakPolarHBondContact O-CB 3.31Å; I541-K545 PolarHBondContact O-N 2.87Å; I541-F573 HydrophobicContact CD1-CD1 3.51Å; I541-F573 HydrophobicContact CD1-CD2 4.35Å; I541-F573 HydrophobicContact CD1-CE1 3.61Å; I541-F573 HydrophobicContact CD1-CE2 4.49Å; I541-F573 HydrophobicContact CD1-CG 3.92Å; I541-F573 HydrophobicContact CD1-CZ 4.15Å; I541-F573 HydrophobicContact CG1-CE1 4.4Å; I541-F573 HydrophobicContact CG1-CZ 4.47Å; I541-M581 HydrophobicContact CG2-CE 3.85Å; I541-M581 HydrophobicContact CG2-SD 3.51Å; I541-M581 VanDerWaalsContact CG2-SD 3.51Å
542	V	88.4	Confident	84.6	Confident	21 Å²	21	35.1 Å²	35.1	13%	0.127	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-40.4	-172.8	177	0	0	0	0	113.5	C539 N540 K545 Q546 N578 M581 C582	C539-V542 WeakPolarHBondContact O-CB 3.05Å; C539-V542 WeakPolarHBondContact O-CG2 3.07Å; C539-V542 PolarHBondContact O-N 2.94Å; N540-V542 VanDerWaalsContact C-N 3.34Å; V542-K545 WeakPolarHBondContact O-CB 3.21Å; V542-K545 PolarHBondContact O-N 3.36Å; V542-Q546 WeakPolarHBondContact O-CG 3.03Å; V542-Q546 PolarHBondContact O-N 2.81Å; V542-N578 HydrophobicContact CG1-CB 4.25Å; V542-M581 HydrophobicContact CG2-CB 3.99Å; V542-M581 HydrophobicContact CG2-SD 3.86Å; V542-C582 HydrophobicContact CG2-CB 4.47Å
543	P	88.4	Confident	83.2	Confident	64 Å²	64	32.9 Å²	32.9	42%	0.416	18%	0.176	S	C	.	.	H	α-helix	trans	-63.5	-44.8	172.7	-21.7	34.4	0	0	0	112.1	V515 N540 K545 Q546 W547	V515-P543 HydrophobicContact CG2-CB 4.27Å; V515-P543 WeakPolarHBondContact CG2-O 3.04Å; N540-P543 WeakPolarHBondContact O-CD 3.4Å; P543-K545 VanDerWaalsContact C-N 3.31Å; P543-K545 PolarHBondContact O-N 2.82Å; P543-Q546 PolarHBondContact O-N 2.97Å; P543-W547 PolarHBondContact O-N 3.13Å
544	F	89.6	Confident	81.2	Confident	1 Å²	1	33.3 Å²	33.3	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-44.3	177.3	-178.8	-138.2	0	0	0	111.3	L513 V515 L519 L530 W535 I541 Q546 W547 T548 F573	L513-F544 HydrophobicContact CB-CD1 4.47Å; L513-F544 HydrophobicContact CB-CD2 3.92Å; L513-F544 HydrophobicContact CB-CE1 4.49Å; L513-F544 HydrophobicContact CB-CE2 3.95Å; L513-F544 HydrophobicContact CB-CG 4.2Å; L513-F544 HydrophobicContact CB-CZ 4.25Å; L513-F544 HydrophobicContact CD1-CE2 3.91Å; L513-F544 HydrophobicContact CD1-CZ 3.83Å; L513-F544 HydrophobicContact CG-CE2 4.38Å; L513-F544 HydrophobicContact CG-CZ 4.28Å; L513-F544 WeakPolarHBondContact O-CB 3.16Å; V515-F544 HydrophobicContact CG2-CB 4.42Å; L519-F544 HydrophobicContact CD1-CD2 3.48Å; L519-F544 VanDerWaalsContact CD1-CD2 3.48Å; L519-F544 HydrophobicContact CD1-CE2 3.59Å; L530-F544 HydrophobicContact CD1-CZ 4.02Å; L530-F544 HydrophobicContact CD2-CZ 4.39Å; W535-F544 HydrophobicContact CD2-CE1 4.3Å; W535-F544 HydrophobicContact CE3-CD1 4.26Å; W535-F544 AromaticContact CE3-CE1 3.77Å; W535-F544 HydrophobicContact CE3-CE1 3.77Å; W535-F544 AromaticContact CH2-CE1 3.46Å; W535-F544 HydrophobicContact CH2-CE1 3.46Å; W535-F544 VanDerWaalsContact CH2-CE1 3.46Å; W535-F544 AromaticContact CH2-CZ 3.77Å; W535-F544 HydrophobicContact CH2-CZ 3.77Å; W535-F544 AromaticContact CZ2-CE1 3.99Å; W535-F544 HydrophobicContact CZ2-CE1 3.99Å; W535-F544 HydrophobicContact CZ2-CZ 4.27Å; W535-F544 AromaticContact CZ3-CD1 3.99Å; W535-F544 HydrophobicContact CZ3-CD1 3.99Å; W535-F544 AromaticContact CZ3-CE1 3.33Å; W535-F544 HydrophobicContact CZ3-CE1 3.33Å; W535-F544 HydrophobicContact CZ3-CZ 4.07Å; I541-F544 HydrophobicContact CD1-CD1 4.27Å; I541-F544 HydrophobicContact CG1-CB 4.19Å; I541-F544 HydrophobicContact CG1-CD1 3.81Å; I541-F544 CarbonylContact O-C 3.17Å; I541-F544 WeakPolarHBondContact O-CA 3.38Å; I541-F544 WeakPolarHBondContact O-CB 3.41Å; I541-F544 PolarHBondContact O-N 3.29Å; F544-Q546 PolarHBondContact O-N 2.98Å; F544-W547 AromaticContact CD2-CE3 3.93Å; F544-W547 HydrophobicContact CD2-CE3 3.93Å; F544-W547 HydrophobicContact CD2-CZ3 4.42Å; F544-W547 AromaticContact CE2-CE3 3.75Å; F544-W547 HydrophobicContact CE2-CE3 3.75Å; F544-W547 AromaticContact CE2-CZ3 3.78Å; F544-W547 HydrophobicContact CE2-CZ3 3.78Å; F544-W547 CarbonylContact O-C 3.54Å; F544-W547 WeakPolarHBondContact O-CA 3.29Å; F544-W547 WeakPolarHBondContact O-CB 3.46Å; F544-W547 PolarHBondContact O-N 3.3Å; F544-W547 VanDerWaalsContact O-N 3.1Å; F544-T548 HydrophobicContact CD2-CG2 3.93Å; F544-T548 HydrophobicContact CE1-CG2 4.3Å; F544-T548 HydrophobicContact CE2-CG2 3.54Å; F544-T548 HydrophobicContact CG-CG2 4.45Å; F544-T548 HydrophobicContact CZ-CG2 3.75Å; F544-T548 WeakPolarHBondContact O-CG2 3.49Å; F544-T548 PolarHBondContact O-N 3.24Å; F544-T548 PolarHBondContact O-OG1 3.14Å; F544-F573 HydrophobicContact CD1-CE1 4.09Å; F544-F573 HydrophobicContact CD1-CE2 4.25Å; F544-F573 AromaticContact CD1-CZ 3.51Å; F544-F573 HydrophobicContact CD1-CZ 3.51Å; F544-F573 AromaticContact CE1-CE1 3.79Å; F544-F573 HydrophobicContact CE1-CE1 3.79Å; F544-F573 HydrophobicContact CE1-CE2 4.43Å; F544-F573 AromaticContact CE1-CZ 3.35Å; F544-F573 HydrophobicContact CE1-CZ 3.35Å; F544-F573 HydrophobicContact CG-CZ 4.48Å; F544-F573 HydrophobicContact CZ-CZ 4.21Å
545	K	86.2	Confident	79.9	Confident	9 Å²	9	32.4 Å²	32.4	4%	0.039	17%	0.172	C	C	.	.	H	α-helix	trans	-53.6	-53.1	173.2	-178.1	-179.1	-170.7	-83.9	0	112	I541 V542 P543 W547 T548 E549 F573 R574 V576 N578 M581	I541-K545 WeakPolarHBondContact O-CB 3.31Å; I541-K545 PolarHBondContact O-N 2.87Å; V542-K545 WeakPolarHBondContact O-CB 3.21Å; V542-K545 PolarHBondContact O-N 3.36Å; P543-K545 VanDerWaalsContact C-N 3.31Å; P543-K545 PolarHBondContact O-N 2.82Å; K545-W547 PolarHBondContact O-N 3.17Å; K545-T548 WeakPolarHBondContact CA-OG1 3.49Å; K545-T548 PolarHBondContact O-N 2.83Å; K545-T548 PolarHBondContact O-OG1 3.01Å; K545-E549 HydrophobicContact CG-CG 4.47Å; K545-E549 IonicContact NZ-OE1 3.85Å; K545-E549 PolarHBondContact NZ-OE1 3.16Å; K545-E549 VanDerWaalsContact O-CG 3.27Å; K545-E549 WeakPolarHBondContact O-CG 3.43Å; K545-E549 PolarHBondContact O-N 3.32Å; K545-F573 HydrophobicContact CB-CD2 4.06Å; K545-F573 HydrophobicContact CB-CE2 4.06Å; K545-F573 WeakPolarHBondContact CD-O 3.4Å; K545-F573 WeakPolarHBondContact CE-O 3.47Å; K545-F573 HydrophobicContact CG-CD2 4.11Å; K545-F573 HydrophobicContact CG-CE2 4.38Å; K545-R574 VanDerWaalsContact CE-C 3.47Å; K545-R574 WeakPolarHBondContact CE-O 3.18Å; K545-R574 PolarHBondContact NZ-O 2.98Å; K545-V576 WeakPolarHBondContact CE-O 3.08Å; K545-N578 PolarHBondContact NZ-OD1 2.62Å; K545-M581 HydrophobicContact CD-CE 3.74Å; K545-M581 HydrophobicContact CD-SD 4.01Å
546	Q	85.3	Confident	78.8	Confident	81 Å²	81	32.4 Å²	32.4	38%	0.379	17%	0.172	S	C	.	.	H	α-helix	trans	-57.9	-37	177	-71	173.3	-26	0	0	112.4	V542 P543 F544 E549 R550	V542-Q546 WeakPolarHBondContact O-CG 3.03Å; V542-Q546 PolarHBondContact O-N 2.81Å; P543-Q546 PolarHBondContact O-N 2.97Å; F544-Q546 PolarHBondContact O-N 2.98Å; Q546-E549 WeakPolarHBondContact CA-OE2 3.35Å; Q546-R550 WeakPolarHBondContact O-CB 3.39Å; Q546-R550 VanDerWaalsContact O-CG 3.22Å; Q546-R550 WeakPolarHBondContact O-CG 3.3Å; Q546-R550 PolarHBondContact O-N 3.43Å; Q546-R550 VanDerWaalsContact O-N 3.1Å
547	W	86.2	Confident	77.1	Confident	18 Å²	18	31 Å²	31	7%	0.068	17%	0.165	C	C	.	.	H	α-helix	trans	-70.5	-39.1	174.4	177.8	94.9	0	0	0	113.1	V515 L519 L522 I528 P543 F544 K545 E549 R550 L551	V515-W547 HydrophobicContact CB-CB 4.39Å; V515-W547 HydrophobicContact CG1-CB 3.91Å; V515-W547 HydrophobicContact CG1-CG 3.99Å; V515-W547 HydrophobicContact CG2-CB 3.51Å; V515-W547 HydrophobicContact CG2-CG 4.02Å; L519-W547 HydrophobicContact CB-CD2 3.93Å; L519-W547 VanDerWaalsContact CB-CE2 3.44Å; L519-W547 HydrophobicContact CB-CG 4.33Å; L519-W547 HydrophobicContact CB-CH2 4.26Å; L519-W547 HydrophobicContact CB-CZ2 3.59Å; L519-W547 HydrophobicContact CD1-CD2 4Å; L519-W547 HydrophobicContact CD1-CE3 3.85Å; L519-W547 HydrophobicContact CD1-CH2 4.17Å; L519-W547 HydrophobicContact CD1-CZ2 4.29Å; L519-W547 HydrophobicContact CD1-CZ3 3.96Å; L519-W547 HydrophobicContact CD2-CH2 3.95Å; L519-W547 HydrophobicContact CD2-CZ2 4Å; L519-W547 HydrophobicContact CD2-CZ3 4.5Å; L519-W547 HydrophobicContact CG-CH2 4.38Å; L519-W547 HydrophobicContact CG-CZ2 4.18Å; L519-W547 PolarHBondContact O-NE1 3.31Å; L522-W547 HydrophobicContact CD1-CZ2 4.4Å; I528-W547 HydrophobicContact CD1-CH2 3.91Å; P543-W547 PolarHBondContact O-N 3.13Å; F544-W547 AromaticContact CD2-CE3 3.93Å; F544-W547 HydrophobicContact CD2-CE3 3.93Å; F544-W547 HydrophobicContact CD2-CZ3 4.42Å; F544-W547 AromaticContact CE2-CE3 3.75Å; F544-W547 HydrophobicContact CE2-CE3 3.75Å; F544-W547 AromaticContact CE2-CZ3 3.78Å; F544-W547 HydrophobicContact CE2-CZ3 3.78Å; F544-W547 CarbonylContact O-C 3.54Å; F544-W547 WeakPolarHBondContact O-CA 3.29Å; F544-W547 WeakPolarHBondContact O-CB 3.46Å; F544-W547 PolarHBondContact O-N 3.3Å; F544-W547 VanDerWaalsContact O-N 3.1Å; K545-W547 PolarHBondContact O-N 3.17Å; W547-E549 VanDerWaalsContact C-N 3.29Å; W547-E549 PolarHBondContact O-N 3.49Å; W547-R550 WeakPolarHBondContact O-CB 3.35Å; W547-R550 PolarHBondContact O-N 3.12Å; W547-L551 HydrophobicContact CD2-CD1 3.81Å; W547-L551 HydrophobicContact CE3-CD1 4.04Å; W547-L551 HydrophobicContact CH2-CD1 3.33Å; W547-L551 HydrophobicContact CZ2-CD1 3.04Å; W547-L551 HydrophobicContact CZ2-CG 4.45Å; W547-L551 HydrophobicContact CZ3-CD1 3.81Å; W547-L551 PolarHBondContact O-N 3.33Å
548	T	80.5	Confident	75.8	Confident	1 Å²	1	32 Å²	32	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-67.8	-29.3	174.7	57.6	0	0	0	0	112.8	F544 K545 I556 L560 F573	F544-T548 HydrophobicContact CD2-CG2 3.93Å; F544-T548 HydrophobicContact CE1-CG2 4.3Å; F544-T548 HydrophobicContact CE2-CG2 3.54Å; F544-T548 HydrophobicContact CG-CG2 4.45Å; F544-T548 HydrophobicContact CZ-CG2 3.75Å; F544-T548 WeakPolarHBondContact O-CG2 3.49Å; F544-T548 PolarHBondContact O-N 3.24Å; F544-T548 PolarHBondContact O-OG1 3.14Å; K545-T548 WeakPolarHBondContact CA-OG1 3.49Å; K545-T548 PolarHBondContact O-N 2.83Å; K545-T548 PolarHBondContact O-OG1 3.01Å; T548-I556 VanDerWaalsContact CB-CD1 3.45Å; T548-I556 HydrophobicContact CG2-CD1 3.59Å; T548-L560 HydrophobicContact CG2-CD1 3.85Å; T548-F573 HydrophobicContact CG2-CE2 4.38Å; T548-F573 HydrophobicContact CG2-CZ 4.23Å
549	E	75	Confident	74.6	Confident	27 Å²	27	30.5 Å²	30.5	13%	0.126	16%	0.16	C	C	.	.	H	α-helix	trans	-74.2	-31	173.1	-63.8	164.6	154.9	0	0	111.4	V34 K545 Q546 W547	V34-E549 HydrophobicContact CB-CB 4.12Å; V34-E549 HydrophobicContact CG1-CB 3.48Å; V34-E549 VanDerWaalsContact CG1-CB 3.48Å; V34-E549 HydrophobicContact CG1-CG 4.27Å; V34-E549 HydrophobicContact CG2-CB 4.16Å; V34-E549 HydrophobicContact CG2-CG 4.17Å; K545-E549 HydrophobicContact CG-CG 4.47Å; K545-E549 IonicContact NZ-OE1 3.85Å; K545-E549 PolarHBondContact NZ-OE1 3.16Å; K545-E549 VanDerWaalsContact O-CG 3.27Å; K545-E549 WeakPolarHBondContact O-CG 3.43Å; K545-E549 PolarHBondContact O-N 3.32Å; Q546-E549 WeakPolarHBondContact CA-OE2 3.35Å; W547-E549 VanDerWaalsContact C-N 3.29Å; W547-E549 PolarHBondContact O-N 3.49Å
550	R	76.2	Confident	74.3	Confident	144 Å²	144	27.9 Å²	27.9	54%	0.543	14%	0.143	S	C	.	.	H	α-helix	trans	-72.2	-37.2	179.7	-84.2	170.8	173.7	168	4.9	115.8	E35 Q546 W547 G552	E35-R550 IonicContact OE1-CZ 2.99Å; E35-R550 IonicContact OE1-NE 3.68Å; E35-R550 PolarHBondContact OE1-NE 3.48Å; E35-R550 IonicContact OE1-NH2 3.51Å; E35-R550 PolarHBondContact OE1-NH2 2.95Å; E35-R550 WeakPolarHBondContact OE2-CG 3.3Å; E35-R550 IonicContact OE2-NE 3.85Å; E35-R550 PolarHBondContact OE2-NE 3.03Å; Q546-R550 WeakPolarHBondContact O-CB 3.39Å; Q546-R550 VanDerWaalsContact O-CG 3.22Å; Q546-R550 WeakPolarHBondContact O-CG 3.3Å; Q546-R550 PolarHBondContact O-N 3.43Å; Q546-R550 VanDerWaalsContact O-N 3.1Å; W547-R550 WeakPolarHBondContact O-CB 3.35Å; W547-R550 PolarHBondContact O-N 3.12Å; R550-G552 PolarHBondContact O-N 2.03Å
551	L	69.8	Low	74	Confident	49 Å²	49	26.9 Å²	26.9	26%	0.257	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-4.3	-179.1	-86.6	162.9	0	0	0	113.5	I525 W547 V555	I525-L551 HydrophobicContact CG2-CD1 4.42Å; I525-L551 HydrophobicContact CG2-CD2 3.9Å; W547-L551 HydrophobicContact CD2-CD1 3.81Å; W547-L551 HydrophobicContact CE3-CD1 4.04Å; W547-L551 HydrophobicContact CH2-CD1 3.33Å; W547-L551 HydrophobicContact CZ2-CD1 3.04Å; W547-L551 HydrophobicContact CZ2-CG 4.45Å; W547-L551 HydrophobicContact CZ3-CD1 3.81Å; W547-L551 PolarHBondContact O-N 3.33Å; L551-V555 HydrophobicContact CB-CB 4.44Å; L551-V555 VanDerWaalsContact O-CG2 3.28Å; L551-V555 WeakPolarHBondContact O-CG2 3.46Å
552	G	55.7	Low	73.8	Confident	14 Å²	14	27 Å²	27	14%	0.144	14%	0.135	C	C	.	.			trans	73.7	148.5	-167.6	0	0	0	0	0	111.8	R550 D554 V555	R550-G552 PolarHBondContact O-N 2.03Å; G552-D554 PolarHBondContact O-N 3.38Å; G552-V555 PolarHBondContact O-N 2.03Å
553	A	52.7	Low	73.8	Confident	4 Å²	4	31 Å²	31	3%	0.033	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.9	171	0	0	0	0	0	112.3	L64 H88 V555 I556	L64-A553 HydrophobicContact CD2-CB 4.12Å; H88-A553 PolarHBondContact CE1-O 2.89Å; H88-A553 WeakPolarHBondContact NE2-CB 3.39Å; A553-V555 VanDerWaalsContact C-N 3.34Å; A553-V555 PolarHBondContact O-N 3.24Å; A553-I556 PolarHBondContact O-N 2.83Å
554	D	48.6	Very low	73.7	Confident	17 Å²	17	30.2 Å²	30.2	9%	0.091	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.8	-178.9	-71.3	-40.4	0	0	0	117.4	H62 S86 R110 H112 G552	H62-D554 IonicContact CE1-OD2 3.89Å; H62-D554 PolarHBondContact CE1-OD2 3.49Å; H62-D554 IonicContact ND1-OD2 3.31Å; H62-D554 PolarHBondContact ND1-OD2 2.87Å; S86-D554 WeakPolarHBondContact CB-OD1 3.49Å; S86-D554 PolarHBondContact OG-OD1 3.29Å; R110-D554 VanDerWaalsContact CB-OD1 3.29Å; R110-D554 WeakPolarHBondContact CB-OD1 3.44Å; R110-D554 VanDerWaalsContact CD-OD1 3.27Å; R110-D554 WeakPolarHBondContact CD-OD1 3.22Å; R110-D554 PolarHBondContact NH1-O 3.14Å; H112-D554 IonicContact NE2-OD1 2.69Å; G552-D554 PolarHBondContact O-N 3.38Å
555	V	65.2	Low	73.6	Confident	13 Å²	13	31.9 Å²	31.9	8%	0.079	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-23.2	176.5	177.8	0	0	0	0	110.5	I525 I528 L551 G552 A553	I525-V555 HydrophobicContact CG1-CG1 4.39Å; I525-V555 HydrophobicContact CG2-CG1 4.09Å; I528-V555 HydrophobicContact CG2-CG1 4.07Å; I528-V555 PolarHBondContact N-O 2.83Å; L551-V555 HydrophobicContact CB-CB 4.44Å; L551-V555 VanDerWaalsContact O-CG2 3.28Å; L551-V555 WeakPolarHBondContact O-CG2 3.46Å; G552-V555 PolarHBondContact O-N 2.03Å; A553-V555 VanDerWaalsContact C-N 3.34Å; A553-V555 PolarHBondContact O-N 3.24Å
556	I	71.7	Confident	73.5	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-96.6	107.8	-176.1	-54.3	-179.9	0	0	0	110.2	I528 L530 T548 A553 S558 L560	I528-I556 HydrophobicContact CG2-CB 4.36Å; I528-I556 HydrophobicContact CG2-CG1 3.75Å; L530-I556 HydrophobicContact CD1-CG2 4.34Å; T548-I556 VanDerWaalsContact CB-CD1 3.45Å; T548-I556 HydrophobicContact CG2-CD1 3.59Å; A553-I556 PolarHBondContact O-N 2.83Å; I556-S558 PolarHBondContact O-N 3.43Å; I556-L560 HydrophobicContact CD1-CD1 4.36Å; I556-L560 HydrophobicContact CG2-CD1 4.17Å; I556-L560 HydrophobicContact CG2-CD2 4.12Å; I556-L560 HydrophobicContact CG2-CG 4.27Å
557	V	56.1	Low	73.3	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.006	21%	0.214	C	C	.	.			trans	-64.6	-4.7	-168.8	169.1	0	0	0	0	114.9	Q136 Q527 I528 D529	Q136-V557 PolarHBondContact NE2-O 3.38Å; Q527-V557 HydrophobicContact CG-CG2 3.33Å; I528-V557 WeakPolarHBondContact O-CB 3.39Å; I528-V557 WeakPolarHBondContact O-CG2 3.35Å; I528-V557 PolarHBondContact O-N 3.49Å; D529-V557 HydrophobicContact CB-CB 4.11Å; D529-V557 HydrophobicContact CB-CG1 4.08Å; D529-V557 HydrophobicContact CB-CG2 4.49Å
558	S	61.8	Low	73.1	Confident	20 Å²	20	43.4 Å²	43.4	14%	0.14	21%	0.214	C	C	.	.	S	Bend	trans	-166.9	161.7	-167.2	-75.8	0	0	0	0	117.3	I556	I556-S558 PolarHBondContact O-N 3.43Å
559	D	64.4	Low	73.3	Confident	6 Å²	6	49.1 Å²	49.1	3%	0.032	24%	0.235	C	C	.	.			trans	-57.6	132.5	171.8	-31.8	12.7	0	0	0	113.3	H66 N91 K561 D572	H66-D559 IonicContact CD2-OD1 3.29Å; H66-D559 VanDerWaalsContact CE1-CB 3.42Å; H66-D559 WeakPolarHBondContact CE1-CB 3.16Å; H66-D559 VanDerWaalsContact CE1-CG 3.46Å; H66-D559 IonicContact CE1-OD2 2.72Å; H66-D559 IonicContact CG-OD1 3.16Å; H66-D559 IonicContact CG-OD2 3.76Å; H66-D559 IonicContact ND1-OD1 2.64Å; H66-D559 IonicContact ND1-OD2 2.72Å; H66-D559 PolarHBondContact ND1-OD2 3.14Å; H66-D559 VanDerWaalsContact ND1-OD2 3.14Å; N91-D559 VanDerWaalsContact ND2-CG 3.28Å; N91-D559 PolarHBondContact ND2-OD1 3.1Å; N91-D559 PolarHBondContact ND2-OD2 2.93Å; D559-K561 HydrophobicContact CB-CD 4.35Å; D559-K561 HydrophobicContact CB-CG 4.14Å; D559-K561 VanDerWaalsContact CG-NZ 3.29Å; D559-K561 WeakPolarHBondContact OD2-CE 3.14Å; D559-K561 IonicContact OD2-NZ 3.22Å; D559-K561 PolarHBondContact OD2-NZ 3.22Å; D559-D572 WeakPolarHBondContact CA-OD2 3.28Å
560	L	81.4	Confident	73.3	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.			trans	-104.8	79.4	180	-55.1	-174.4	0	0	0	111.2	L530 T548 I556 D572 F573	L530-L560 HydrophobicContact CB-CD2 3.58Å; T548-L560 HydrophobicContact CG2-CD1 3.85Å; I556-L560 HydrophobicContact CD1-CD1 4.36Å; I556-L560 HydrophobicContact CG2-CD1 4.17Å; I556-L560 HydrophobicContact CG2-CD2 4.12Å; I556-L560 HydrophobicContact CG2-CG 4.27Å; L560-D572 PolarHBondContact N-OD2 3.31Å; L560-D572 VanDerWaalsContact O-CA 3.31Å; L560-D572 WeakPolarHBondContact O-CA 3.29Å; L560-F573 HydrophobicContact CB-CD1 3.77Å; L560-F573 HydrophobicContact CB-CE1 3.43Å; L560-F573 VanDerWaalsContact CB-CE1 3.43Å; L560-F573 HydrophobicContact CB-CZ 3.86Å; L560-F573 HydrophobicContact CD1-CE1 3.86Å; L560-F573 HydrophobicContact CD1-CE2 4.15Å; L560-F573 HydrophobicContact CD1-CZ 3.43Å; L560-F573 VanDerWaalsContact CD1-CZ 3.43Å; L560-F573 HydrophobicContact CG-CE1 4.25Å; L560-F573 HydrophobicContact CG-CZ 4.29Å; L560-F573 WeakPolarHBondContact O-CD1 3.32Å; L560-F573 PolarHBondContact O-N 3.28Å
561	K	80.6	Confident	73.2	Confident	74 Å²	74	54 Å²	54	32%	0.322	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-82.2	126	-169.9	-67.7	162.7	-177	126.4	0	112.8	D559 R571	D559-K561 HydrophobicContact CB-CD 4.35Å; D559-K561 HydrophobicContact CB-CG 4.14Å; D559-K561 VanDerWaalsContact CG-NZ 3.29Å; D559-K561 WeakPolarHBondContact OD2-CE 3.14Å; D559-K561 IonicContact OD2-NZ 3.22Å; D559-K561 PolarHBondContact OD2-NZ 3.22Å; K561-R571 CarbonylContact C-O 3.2Å; K561-R571 WeakPolarHBondContact CA-O 3.41Å
562	C	85.9	Confident	73.5	Confident	2 Å²	2	52 Å²	52	1%	0.014	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	134.1	169	-56.9	0	0	0	0	112.1	W535 C537 F568 K570 R571	W535-C562 CarbonylContact O-C 3.52Å; W535-C562 WeakPolarHBondContact O-CA 3.36Å; C537-C562 HydrophobicContact CB-CB 3.88Å; C537-C562 WeakPolarHBondContact CB-SG 3.22Å; C537-C562 VanDerWaalsContact SG-CA 3.5Å; C537-C562 WeakPolarHBondContact SG-CB 3.34Å; C537-C562 CovalentContact SG-SG 2.02Å; C537-C562 PolarHBondContact SG-SG 3.47Å; C562-F568 HydrophobicContact CB-CB 4.07Å; C562-F568 WeakPolarHBondContact CB-O 3.24Å; C562-K570 PolarHBondContact O-N 3.15Å; C562-R571 PolarHBondContact N-O 3.25Å; C562-R571 PolarHBondContact SG-O 3.32Å; C562-R571 VanDerWaalsContact SG-O 3.35Å
563	E	89.6	Confident	74.7	Confident	104 Å²	104	51.3 Å²	51.3	49%	0.486	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-16.9	166.1	-160.4	166.6	156	0	0	112	P534 W535 W569	P534-E563 WeakPolarHBondContact CA-OE2 3.39Å; P534-E563 HydrophobicContact CB-CB 4.05Å; P534-E563 HydrophobicContact CB-CG 4.37Å; P534-E563 VanDerWaalsContact CB-OE2 3.3Å; P534-E563 WeakPolarHBondContact CB-OE2 3.4Å; W535-E563 PolarHBondContact O-N 2.81Å; E563-W569 HydrophobicContact CB-CZ3 4.29Å; E563-W569 HydrophobicContact CG-CE3 4.13Å; E563-W569 HydrophobicContact CG-CH2 3.66Å; E563-W569 HydrophobicContact CG-CZ3 3.31Å; E563-W569 WeakPolarHBondContact O-CZ3 3.39Å
564	S	86	Confident	75.8	Confident	48 Å²	48	51.8 Å²	51.8	34%	0.336	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.5	170.9	167.6	0	0	0	0	110	W535 D536 C537	W535-S564 PolarHBondContact O-N 3.21Å; W535-S564 VanDerWaalsContact O-N 3.14Å; D536-S564 VanDerWaalsContact OD1-CB 3.31Å; D536-S564 WeakPolarHBondContact OD1-CB 3.49Å; D536-S564 PolarHBondContact OD1-OG 3.11Å; C537-S564 WeakPolarHBondContact CB-O 3.34Å; C537-S564 PolarHBondContact N-O 3.16Å
565	P	86.8	Confident	77.1	Confident	37 Å²	37	52.5 Å²	52.5	24%	0.24	24%	0.241	C	C	.	.	S	Bend	cis	-66.9	168.8	-25	30.1	-36.7	0	0	0	111.9	E567 F568 W569	P565-E567 PolarHBondContact O-N 2.73Å; P565-F568 HydrophobicContact CG-CD2 3.83Å; P565-F568 HydrophobicContact CG-CE2 4.19Å; P565-F568 PolarHBondContact O-N 3.28Å; P565-W569 PolarHBondContact O-N 2.99Å
566	E	84.2	Confident	77.7	Confident	180 Å²	180	52.3 Å²	52.3	84%	0.841	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-53.6	-30.4	-179.5	-68.4	-170.2	172.4	0	0	113.5	F568 W569	E566-F568 PolarHBondContact O-N 2.96Å; E566-W569 VanDerWaalsContact O-CB 3.23Å; E566-W569 WeakPolarHBondContact O-CB 3.45Å; E566-W569 PolarHBondContact O-N 3.12Å; E566-W569 VanDerWaalsContact O-N 3.13Å
567	E	81.9	Confident	78	Confident	153 Å²	153	59.6 Å²	59.6	72%	0.715	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-58.2	-30	177.6	-58.6	176.8	177.2	0	0	113.7	P565	P565-E567 PolarHBondContact O-N 2.73Å
568	F	81.7	Confident	79.2	Confident	16 Å²	16	62 Å²	62	7%	0.07	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-110.9	6.2	178.3	-53.3	-47.6	0	0	0	113	C537 C562 P565 E566 K570 R571 V576 L580	C537-F568 HydrophobicContact CB-CB 4.18Å; C537-F568 HydrophobicContact CB-CD2 3.95Å; C537-F568 HydrophobicContact CB-CG 4.46Å; C562-F568 HydrophobicContact CB-CB 4.07Å; C562-F568 WeakPolarHBondContact CB-O 3.24Å; P565-F568 HydrophobicContact CG-CD2 3.83Å; P565-F568 HydrophobicContact CG-CE2 4.19Å; P565-F568 PolarHBondContact O-N 3.28Å; E566-F568 PolarHBondContact O-N 2.96Å; F568-K570 PolarHBondContact O-N 2.6Å; F568-R571 WeakPolarHBondContact O-CB 3.38Å; F568-R571 WeakPolarHBondContact O-CG 3.36Å; F568-R571 PolarHBondContact O-N 2.98Å; F568-V576 HydrophobicContact CB-CG2 4.4Å; F568-V576 HydrophobicContact CD1-CG1 3.72Å; F568-V576 HydrophobicContact CD1-CG2 4.08Å; F568-V576 HydrophobicContact CD2-CG1 4.1Å; F568-V576 HydrophobicContact CE1-CG1 3.66Å; F568-V576 HydrophobicContact CE2-CG1 4.04Å; F568-V576 HydrophobicContact CG-CG1 3.97Å; F568-V576 HydrophobicContact CG-CG2 4.26Å; F568-V576 HydrophobicContact CZ-CG1 3.85Å; F568-L580 HydrophobicContact CE1-CB 4.39Å; F568-L580 HydrophobicContact CZ-CB 3.92Å
569	W	83.6	Confident	80	Confident	122 Å²	122	65 Å²	65	46%	0.462	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	126.7	-176.9	-179.2	-95.8	0	0	0	113.8	E563 P565 E566 R571	E563-W569 HydrophobicContact CB-CZ3 4.29Å; E563-W569 HydrophobicContact CG-CE3 4.13Å; E563-W569 HydrophobicContact CG-CH2 3.66Å; E563-W569 HydrophobicContact CG-CZ3 3.31Å; E563-W569 WeakPolarHBondContact O-CZ3 3.39Å; P565-W569 PolarHBondContact O-N 2.99Å; E566-W569 VanDerWaalsContact O-CB 3.23Å; E566-W569 WeakPolarHBondContact O-CB 3.45Å; E566-W569 PolarHBondContact O-N 3.12Å; E566-W569 VanDerWaalsContact O-N 3.13Å; W569-R571 PolarHBondContact O-N 2.69Å; W569-R571 VanDerWaalsContact O-N 3.09Å
570	K	76.1	Confident	80.8	Confident	128 Å²	128	69.3 Å²	69.3	56%	0.557	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	6.3	-176.4	-68.5	174.7	179.3	179	0	116.3	K44 C562 F568	K44-K570 PolarHBondContact NZ-O 2.84Å; C562-K570 PolarHBondContact O-N 3.15Å; F568-K570 PolarHBondContact O-N 2.6Å
571	R	73.1	Confident	80.9	Confident	146 Å²	146	69.7 Å²	69.7	55%	0.551	32%	0.319	S	S	*	.	S	Bend	trans	-76.3	144.3	168.7	-52.7	-177.3	85.7	161.5	4.3	108.3	K561 C562 F568 W569 V576	K561-R571 CarbonylContact C-O 3.2Å; K561-R571 WeakPolarHBondContact CA-O 3.41Å; C562-R571 PolarHBondContact N-O 3.25Å; C562-R571 PolarHBondContact SG-O 3.32Å; C562-R571 VanDerWaalsContact SG-O 3.35Å; F568-R571 WeakPolarHBondContact O-CB 3.38Å; F568-R571 WeakPolarHBondContact O-CG 3.36Å; F568-R571 PolarHBondContact O-N 2.98Å; W569-R571 PolarHBondContact O-N 2.69Å; W569-R571 VanDerWaalsContact O-N 3.09Å; R571-V576 HydrophobicContact CB-CG2 4.19Å
572	D	76.3	Confident	81	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.027	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-74.7	129.6	171.6	-173.1	-54.1	0	0	0	108.4	H66 D559 L560 R574 Y575	H66-D572 IonicContact CE1-OD2 3.72Å; H66-D572 PolarHBondContact CE1-OD2 2.85Å; H66-D572 IonicContact NE2-OD2 2.73Å; H66-D572 PolarHBondContact NE2-OD2 3.3Å; D559-D572 WeakPolarHBondContact CA-OD2 3.28Å; L560-D572 PolarHBondContact N-OD2 3.31Å; L560-D572 VanDerWaalsContact O-CA 3.31Å; L560-D572 WeakPolarHBondContact O-CA 3.29Å; D572-R574 PolarHBondContact O-N 2.66Å; D572-R574 VanDerWaalsContact OD1-CB 3.27Å; D572-R574 WeakPolarHBondContact OD1-CB 3.49Å; D572-R574 WeakPolarHBondContact OD1-CG 3.4Å; D572-R574 IonicContact OD1-CZ 2.78Å; D572-R574 PolarHBondContact OD1-N 3.11Å; D572-R574 IonicContact OD1-NE 2.84Å; D572-R574 PolarHBondContact OD1-NE 2.62Å; D572-R574 IonicContact OD1-NH2 3.54Å; D572-R574 IonicContact OD2-CZ 3.61Å; D572-R574 IonicContact OD2-NE 2.62Å; D572-R574 PolarHBondContact OD2-NE 2.76Å; D572-R574 IonicContact OD2-NH2 3.73Å; D572-R574 PolarHBondContact OD2-NH2 2.55Å; D572-Y575 HydrophobicContact CB-CD2 3.8Å; D572-Y575 HydrophobicContact CB-CE2 3.61Å; D572-Y575 PolarHBondContact O-N 2.8Å
573	F	81.8	Confident	80.6	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-70.1	-21.1	-170.2	72.9	-121	0	0	0	112.7	W535 C537 I541 F544 K545 T548 L560 Y575 V576 M581	W535-F573 HydrophobicContact CB-CD1 3.95Å; W535-F573 HydrophobicContact CB-CE1 4.22Å; W535-F573 HydrophobicContact CD2-CD1 4.42Å; W535-F573 AromaticContact CD2-CE1 3.79Å; W535-F573 HydrophobicContact CD2-CE1 3.79Å; W535-F573 HydrophobicContact CE3-CE1 4.26Å; W535-F573 AromaticContact CG-CD1 3.92Å; W535-F573 HydrophobicContact CG-CD1 3.92Å; W535-F573 AromaticContact CG-CE1 3.75Å; W535-F573 HydrophobicContact CG-CE1 3.75Å; C537-F573 WeakPolarHBondContact SG-CB 3.08Å; I541-F573 HydrophobicContact CD1-CD1 3.51Å; I541-F573 HydrophobicContact CD1-CD2 4.35Å; I541-F573 HydrophobicContact CD1-CE1 3.61Å; I541-F573 HydrophobicContact CD1-CE2 4.49Å; I541-F573 HydrophobicContact CD1-CG 3.92Å; I541-F573 HydrophobicContact CD1-CZ 4.15Å; I541-F573 HydrophobicContact CG1-CE1 4.4Å; I541-F573 HydrophobicContact CG1-CZ 4.47Å; F544-F573 HydrophobicContact CD1-CE1 4.09Å; F544-F573 HydrophobicContact CD1-CE2 4.25Å; F544-F573 AromaticContact CD1-CZ 3.51Å; F544-F573 HydrophobicContact CD1-CZ 3.51Å; F544-F573 AromaticContact CE1-CE1 3.79Å; F544-F573 HydrophobicContact CE1-CE1 3.79Å; F544-F573 HydrophobicContact CE1-CE2 4.43Å; F544-F573 AromaticContact CE1-CZ 3.35Å; F544-F573 HydrophobicContact CE1-CZ 3.35Å; F544-F573 HydrophobicContact CG-CZ 4.48Å; F544-F573 HydrophobicContact CZ-CZ 4.21Å; K545-F573 HydrophobicContact CB-CD2 4.06Å; K545-F573 HydrophobicContact CB-CE2 4.06Å; K545-F573 WeakPolarHBondContact CD-O 3.4Å; K545-F573 WeakPolarHBondContact CE-O 3.47Å; K545-F573 HydrophobicContact CG-CD2 4.11Å; K545-F573 HydrophobicContact CG-CE2 4.38Å; T548-F573 HydrophobicContact CG2-CE2 4.38Å; T548-F573 HydrophobicContact CG2-CZ 4.23Å; L560-F573 HydrophobicContact CB-CD1 3.77Å; L560-F573 HydrophobicContact CB-CE1 3.43Å; L560-F573 VanDerWaalsContact CB-CE1 3.43Å; L560-F573 HydrophobicContact CB-CZ 3.86Å; L560-F573 HydrophobicContact CD1-CE1 3.86Å; L560-F573 HydrophobicContact CD1-CE2 4.15Å; L560-F573 HydrophobicContact CD1-CZ 3.43Å; L560-F573 VanDerWaalsContact CD1-CZ 3.43Å; L560-F573 HydrophobicContact CG-CE1 4.25Å; L560-F573 HydrophobicContact CG-CZ 4.29Å; L560-F573 WeakPolarHBondContact O-CD1 3.32Å; L560-F573 PolarHBondContact O-N 3.28Å; F573-Y575 PolarHBondContact O-N 3.34Å; F573-V576 PolarHBondContact O-N 3Å; F573-M581 HydrophobicContact CB-CE 3.84Å; F573-M581 WeakPolarHBondContact O-CE 3.43Å
574	R	76.1	Confident	79.5	Confident	14 Å²	14	76.2 Å²	76.2	5%	0.053	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-59.2	-28.4	178.5	-64.7	175.5	-70.7	175.7	-0.5	112.1	H66 K545 D572	H66-R574 PolarHBondContact NE2-NH2 3.38Å; K545-R574 VanDerWaalsContact CE-C 3.47Å; K545-R574 WeakPolarHBondContact CE-O 3.18Å; K545-R574 PolarHBondContact NZ-O 2.98Å; D572-R574 PolarHBondContact O-N 2.66Å; D572-R574 VanDerWaalsContact OD1-CB 3.27Å; D572-R574 WeakPolarHBondContact OD1-CB 3.49Å; D572-R574 WeakPolarHBondContact OD1-CG 3.4Å; D572-R574 IonicContact OD1-CZ 2.78Å; D572-R574 PolarHBondContact OD1-N 3.11Å; D572-R574 IonicContact OD1-NE 2.84Å; D572-R574 PolarHBondContact OD1-NE 2.62Å; D572-R574 IonicContact OD1-NH2 3.54Å; D572-R574 IonicContact OD2-CZ 3.61Å; D572-R574 IonicContact OD2-NE 2.62Å; D572-R574 PolarHBondContact OD2-NE 2.76Å; D572-R574 IonicContact OD2-NH2 3.73Å; D572-R574 PolarHBondContact OD2-NH2 2.55Å
575	Y	74.3	Confident	77.7	Confident	33 Å²	33	80.7 Å²	80.7	13%	0.129	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-104.2	-5.8	-178.5	-37.7	-64.5	0	0	0	114.8	D41 E43 L64 H66 D572 F573 R577	D41-Y575 HydrophobicContact CB-CD1 3.49Å; D41-Y575 VanDerWaalsContact CB-CD1 3.49Å; D41-Y575 HydrophobicContact CB-CD2 4.18Å; D41-Y575 HydrophobicContact CB-CE1 3.67Å; D41-Y575 HydrophobicContact CB-CE2 4.33Å; D41-Y575 HydrophobicContact CB-CG 3.74Å; E43-Y575 WeakPolarHBondContact OE1-CE2 3.43Å; E43-Y575 PolarHBondContact OE1-OH 3.38Å; E43-Y575 VanDerWaalsContact OE2-CE2 3.27Å; E43-Y575 WeakPolarHBondContact OE2-CE2 3.31Å; L64-Y575 HydrophobicContact CD1-CE1 3.69Å; L64-Y575 VanDerWaalsContact CD1-OH 3.22Å; L64-Y575 WeakPolarHBondContact CD1-OH 3.31Å; L64-Y575 WeakPolarHBondContact CD2-OH 3.23Å; H66-Y575 PolarHBondContact NE2-OH 2.72Å; D572-Y575 HydrophobicContact CB-CD2 3.8Å; D572-Y575 HydrophobicContact CB-CE2 3.61Å; D572-Y575 PolarHBondContact O-N 2.8Å; F573-Y575 PolarHBondContact O-N 3.34Å; Y575-R577 PolarHBondContact O-N 2.87Å
576	V	77.8	Confident	75.5	Confident	8 Å²	8	82.1 Å²	82.1	5%	0.048	41%	0.406	C	S	.	.	S	Bend	trans	-75	123.1	171.9	177.3	0	0	0	0	107.9	K545 F568 R571 F573 M581	K545-V576 WeakPolarHBondContact CE-O 3.08Å; F568-V576 HydrophobicContact CB-CG2 4.4Å; F568-V576 HydrophobicContact CD1-CG1 3.72Å; F568-V576 HydrophobicContact CD1-CG2 4.08Å; F568-V576 HydrophobicContact CD2-CG1 4.1Å; F568-V576 HydrophobicContact CE1-CG1 3.66Å; F568-V576 HydrophobicContact CE2-CG1 4.04Å; F568-V576 HydrophobicContact CG-CG1 3.97Å; F568-V576 HydrophobicContact CG-CG2 4.26Å; F568-V576 HydrophobicContact CZ-CG1 3.85Å; R571-V576 HydrophobicContact CB-CG2 4.19Å; F573-V576 PolarHBondContact O-N 3Å; V576-M581 HydrophobicContact CB-CE 3.67Å; V576-M581 HydrophobicContact CB-CG 4.48Å; V576-M581 HydrophobicContact CG1-CE 3.99Å; V576-M581 HydrophobicContact CG1-CG 3.77Å
577	R	77.8	Confident	73.1	Confident	154 Å²	154	81 Å²	81	58%	0.581	41%	0.406	S	S	*	.			trans	-65.6	142.9	-174	-59.6	166.4	48.4	114.6	-7.7	111.6	Y575 D579 L580 M581	Y575-R577 PolarHBondContact O-N 2.87Å; R577-D579 WeakPolarHBondContact CB-OD1 3.31Å; R577-D579 IonicContact CZ-OD1 3.96Å; R577-D579 IonicContact CZ-OD2 2.92Å; R577-D579 IonicContact NE-OD1 3.35Å; R577-D579 PolarHBondContact NE-OD1 2.93Å; R577-D579 IonicContact NE-OD2 2.79Å; R577-D579 PolarHBondContact NE-OD2 3.48Å; R577-D579 IonicContact NH2-OD1 3.91Å; R577-D579 PolarHBondContact NH2-OD1 3.09Å; R577-D579 IonicContact NH2-OD2 2.82Å; R577-D579 PolarHBondContact NH2-OD2 3.25Å; R577-D579 PolarHBondContact O-N 3.06Å; R577-L580 HydrophobicContact CB-CD1 4.16Å; R577-L580 HydrophobicContact CB-CG 4.22Å; R577-L580 HydrophobicContact CG-CD1 4.46Å; R577-L580 WeakPolarHBondContact O-CB 3.41Å; R577-L580 PolarHBondContact O-N 3.3Å; R577-M581 PolarHBondContact O-N 2.88Å; R577-M581 VanDerWaalsContact O-N 3.16Å
578	N	82.1	Confident	71.2	Confident	53 Å²	53	76.6 Å²	76.6	28%	0.283	40%	0.402	S	S	.	.	H	α-helix	trans	-63.1	-27.2	-175.7	-55.2	9.7	0	0	0	112.8	V542 K545 L580 C582	V542-N578 HydrophobicContact CG1-CB 4.25Å; K545-N578 PolarHBondContact NZ-OD1 2.62Å; N578-L580 VanDerWaalsContact C-N 3.32Å; N578-C582 WeakPolarHBondContact O-CB 3.3Å; N578-C582 PolarHBondContact O-N 2.98Å
579	D	79.6	Confident	69	Low	83 Å²	83	83.9 Å²	83.9	44%	0.444	44%	0.441	S	S	.	.	H	α-helix	trans	-74.7	-18.8	174.7	62	-31.4	0	0	0	113.8	R577	R577-D579 WeakPolarHBondContact CB-OD1 3.31Å; R577-D579 IonicContact CZ-OD1 3.96Å; R577-D579 IonicContact CZ-OD2 2.92Å; R577-D579 IonicContact NE-OD1 3.35Å; R577-D579 PolarHBondContact NE-OD1 2.93Å; R577-D579 IonicContact NE-OD2 2.79Å; R577-D579 PolarHBondContact NE-OD2 3.48Å; R577-D579 IonicContact NH2-OD1 3.91Å; R577-D579 PolarHBondContact NH2-OD1 3.09Å; R577-D579 IonicContact NH2-OD2 2.82Å; R577-D579 PolarHBondContact NH2-OD2 3.25Å; R577-D579 PolarHBondContact O-N 3.06Å
580	L	80.8	Confident	66.4	Low	95 Å²	95	82.5 Å²	82.5	50%	0.497	46%	0.456	S	S	.	.	H	α-helix	trans	-88.4	-36.9	173	-60.1	175.3	0	0	0	111.8	F568 R577 N578	F568-L580 HydrophobicContact CE1-CB 4.39Å; F568-L580 HydrophobicContact CZ-CB 3.92Å; R577-L580 HydrophobicContact CB-CD1 4.16Å; R577-L580 HydrophobicContact CB-CG 4.22Å; R577-L580 HydrophobicContact CG-CD1 4.46Å; R577-L580 WeakPolarHBondContact O-CB 3.41Å; R577-L580 PolarHBondContact O-N 3.3Å; N578-L580 VanDerWaalsContact C-N 3.32Å
581	M	82.5	Confident	64.4	Low	8 Å²	8	82.5 Å²	82.5	4%	0.039	47%	0.469	C	S	.	.	H	α-helix	trans	-70.1	-36.6	172.5	-62.6	-175.8	171.3	0	0	112.7	C537 S538 C539 I541 V542 K545 F573 V576 R577	C537-M581 HydrophobicContact CB-CE 4.39Å; S538-M581 CarbonylContact C-O 3.59Å; C539-M581 PolarHBondContact N-O 2.94Å; I541-M581 HydrophobicContact CG2-CE 3.85Å; I541-M581 HydrophobicContact CG2-SD 3.51Å; I541-M581 VanDerWaalsContact CG2-SD 3.51Å; V542-M581 HydrophobicContact CG2-CB 3.99Å; V542-M581 HydrophobicContact CG2-SD 3.86Å; K545-M581 HydrophobicContact CD-CE 3.74Å; K545-M581 HydrophobicContact CD-SD 4.01Å; F573-M581 HydrophobicContact CB-CE 3.84Å; F573-M581 WeakPolarHBondContact O-CE 3.43Å; V576-M581 HydrophobicContact CB-CE 3.67Å; V576-M581 HydrophobicContact CB-CG 4.48Å; V576-M581 HydrophobicContact CG1-CE 3.99Å; V576-M581 HydrophobicContact CG1-CG 3.77Å; R577-M581 PolarHBondContact O-N 2.88Å; R577-M581 VanDerWaalsContact O-N 3.16Å
582	C	84.1	Confident	62.4	Low	44 Å²	44	79.8 Å²	79.8	30%	0.297	48%	0.478	S	S	.	.	S	Bend	trans	-127.1	73.5	-178.4	-156.6	0	0	0	0	110.2	C539 V542 N578 K584	C539-C582 HydrophobicContact CB-CB 3.5Å; C539-C582 WeakPolarHBondContact CB-SG 3.32Å; C539-C582 WeakPolarHBondContact SG-CB 3.37Å; C539-C582 CovalentContact SG-SG 2.04Å; C539-C582 PolarHBondContact SG-SG 3Å; V542-C582 HydrophobicContact CG2-CB 4.47Å; N578-C582 WeakPolarHBondContact O-CB 3.3Å; N578-C582 PolarHBondContact O-N 2.98Å; C582-K584 PolarHBondContact O-N 2.88Å; C582-K584 VanDerWaalsContact O-N 3.09Å
583	P	77.1	Confident	60.4	Low	91 Å²	91	85.3 Å²	85.3	59%	0.591	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-59.5	117.7	171.3	25.8	-33.1	0	0	0	108.1	V585	P583-V585 PolarHBondContact O-N 3Å
584	K	65.5	Low	58	Low	183 Å²	183	91.5 Å²	91.5	80%	0.796	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-55.9	116.1	-179.4	-67.6	-173.3	177.5	-174.4	0	109.1	C582 G586	C582-K584 PolarHBondContact O-N 2.88Å; C582-K584 VanDerWaalsContact O-N 3.09Å; K584-G586 PolarHBondContact O-N 3.23Å; K584-G586 VanDerWaalsContact O-N 3.15Å
585	V	49.4	Very low	55.9	Low	142 Å²	142	96.5 Å²	96.5	86%	0.861	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-54	122.1	167.6	178.3	0	0	0	0	106.7	P583 D587	P583-V585 PolarHBondContact O-N 3Å; V585-D587 PolarHBondContact O-N 3.24Å
586	G	39.8	Very low	53.9	Low	66 Å²	66	103.5 Å²	103.5	68%	0.68	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-54.6	132.7	-159	0	0	0	0	0	113.8	K584 G588	K584-G586 PolarHBondContact O-N 3.23Å; K584-G586 VanDerWaalsContact O-N 3.15Å; G586-G588 PolarHBondContact O-N 3.08Å
587	D	34.3	Very low	51.6	Low	156 Å²	156	111 Å²	111	83%	0.834	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-55.9	119.5	164.2	-78.1	-52.8	0	0	0	108.7	V585	V585-D587 PolarHBondContact O-N 3.24Å
588	G	40.5	Very low	49.2	Very low	62 Å²	62	107.4 Å²	107.4	64%	0.639	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-69.9	144.3	171.2	0	0	0	0	0	111.1	G586	G586-G588 PolarHBondContact O-N 3.08Å
589	D	35.9	Very low	46.7	Very low	168 Å²	168	110.6 Å²	110.6	90%	0.898	70%	0.697	S	S	*	*			trans	60.2	82.1	159.3	-58.4	-40.5	0	0	0	118.2
590	A	28.8	Very low	44.2	Very low	93 Å²	93	117.4 Å²	117.4	77%	0.769	72%	0.718	S	S	*	*			trans	-107.8	123.9	137.4	0	0	0	0	0	108.7	A592	A590-A592 PolarHBondContact O-N 3.04Å
591	P	34.5	Very low	41.7	Very low	128 Å²	128	117.9 Å²	117.9	83%	0.831	74%	0.736	S	S	*	*			trans	-75	115.5	-170	28.3	-34.2	0	0	0	112.1
592	A	31.8	Very low	39.1	Very low	89 Å²	89	125.3 Å²	125.3	74%	0.736	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-67.2	137.4	167.2	0	0	0	0	0	110.5	A590	A590-A592 PolarHBondContact O-N 3.04Å
593	P	33.6	Very low	36.4	Very low	122 Å²	122	129.6 Å²	129.6	79%	0.792	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-68.5	137.7	-178.6	27.2	-33.7	0	0	0	111.8	S595	P593-S595 PolarHBondContact O-N 2.77Å
594	V	32.2	Very low	34	Very low	130 Å²	130	130.6 Å²	130.6	79%	0.788	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-52.9	120.9	-177.2	177.2	0	0	0	0	112.1	K596	V594-K596 HydrophobicContact CG1-CG 4.1Å
595	S	30.8	Very low	32.2	Very low	118 Å²	118	125.5 Å²	125.5	83%	0.825	80%	0.799	S	S	*	*			trans	-121.6	117.8	153.2	47.3	0	0	0	0	109.2	P593	P593-S595 PolarHBondContact O-N 2.77Å
596	K	32.6	Very low	31.1	Very low	180 Å²	180	122.2 Å²	122.2	78%	0.783	79%	0.794	S	S	*	*			trans	-78.2	132.2	178.3	-65.3	172.7	178.5	175	0	109.2	V594	V594-K596 HydrophobicContact CG1-CG 4.1Å
597	N	29.5	Very low	30.5	Very low	166 Å²	166	125.2 Å²	125.2	89%	0.888	80%	0.799	S	S	*	*				-173.9	132.2	122.3	-89	-19.6	0	0	0	108.8
598	G	28.8	Very low	30.4	Very low	78 Å²	78	128.3 Å²	128.3	80%	0.804	80%	0.799	S	S	*	*			trans	-112.2	162.3	-175.9	0	0	0	0	0	112.9
599	S	27.8	Very low	29.8	Very low	121 Å²	121	130.7 Å²	130.7	85%	0.846	81%	0.806	S	S	*	*			trans	-154.2	141.2	147.9	55	0	0	0	0	109.3
600	Y	28.1	Very low	29.5	Very low	225 Å²	225	128.5 Å²	128.5	88%	0.882	80%	0.795	S	S	*	*			trans	-72.3	142.7	179.6	-86.3	-115	0	0	0	111.5
601	A	27.8	Very low	29.5	Very low	105 Å²	105	129.8 Å²	129.8	87%	0.868	80%	0.798	S	S	*	*			trans	-149	139.1	141.3	0	0	0	0	0	108.9
602	Q	27.8	Very low	29.5	Very low	164 Å²	164	132.5 Å²	132.5	77%	0.766	79%	0.793	S	S	*	*			trans	-122.6	151.2	-171.7	-173.1	-177.1	-28.6	0	0	109.1
603	D	27.4	Very low	29.9	Very low	134 Å²	134	135.5 Å²	135.5	72%	0.717	80%	0.796	S	S	*	*			trans	118.4	147	134.1	-144.5	11.8	0	0	0	119.5
604	S	28	Very low	29.7	Very low	112 Å²	112	138.4 Å²	138.4	78%	0.783	80%	0.799	S	S	*	*			trans	65.1	137	167.5	-59.4	0	0	0	0	119.3
605	G	26.1	Very low	30.4	Very low	77 Å²	77	137.6 Å²	137.6	79%	0.794	80%	0.796	S	S	*	*			cis	155.9	116.7	-7.4	0	0	0	0	0	114.2
606	G	27.2	Very low	30.9	Very low	73 Å²	73	139 Å²	139	75%	0.753	80%	0.795	S	S	*	*			trans	82.5	157.3	166.6	0	0	0	0	0	117.6
607	T	27.6	Very low	31.3	Very low	129 Å²	129	142.2 Å²	142.2	79%	0.791	80%	0.802	S	S	*	*			cis	-162.4	132.6	-13.3	-12	0	0	0	0	111.7
608	R	30.6	Very low	32.4	Very low	220 Å²	220	138.8 Å²	138.8	83%	0.83	79%	0.786	S	S	*	*			trans	38.8	127.8	150.7	-69.2	175.3	172.3	174.3	-2.9	121.2
609	S	27.8	Very low	33.4	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	77%	0.774	S	S	*	*				-174.3	109.7	92.5	-75.3	0	0	0	0	114.9
610	N	30.3	Very low	34.8	Very low	122 Å²	122	139.6 Å²	139.6	65%	0.652	77%	0.767	S	S	*	*			trans	44.3	100.5	132.4	-67	9.2	0	0	0	121.5	Y612	N610-Y612 HydrophobicContact CB-CD2 4.38Å; N610-Y612 HydrophobicContact CB-CE2 4.22Å
611	S	29.4	Very low	36.4	Very low	120 Å²	120	133.2 Å²	133.2	84%	0.839	76%	0.756	S	S	*	*			trans	-82.4	140.3	147.5	45.9	0	0	0	0	112.1
612	Y	35	Very low	38.2	Very low	185 Å²	185	132.9 Å²	132.9	73%	0.725	74%	0.743	S	S	*	*			trans	-145	134.2	164.5	-75.3	-81.3	0	0	0	105.1	N610	N610-Y612 HydrophobicContact CB-CD2 4.38Å; N610-Y612 HydrophobicContact CB-CE2 4.22Å
613	L	38.5	Very low	40	Very low	152 Å²	152	129 Å²	129	80%	0.796	73%	0.727	S	S	*	*			cis	-153.4	131.9	3.6	-97.7	149.7	0	0	0	110.7
614	E	31.3	Very low	42.3	Very low	183 Å²	183	126.6 Å²	126.6	86%	0.855	72%	0.717	S	S	*	*			trans	-90.4	142.3	149.2	-71.5	-179	121.4	0	0	109.3
615	P	45	Very low	44.6	Very low	112 Å²	112	124.8 Å²	124.8	73%	0.727	70%	0.702	S	S	*	*			trans	-96.4	106.3	170.6	33.7	-27.5	0	0	0	111.8
616	N	41.7	Very low	47.2	Very low	149 Å²	149	122.8 Å²	122.8	80%	0.797	68%	0.682	S	S	*	*			trans	152.3	70.5	134.2	-77	-26.1	0	0	0	115.2
617	R	40.9	Very low	49.7	Very low	247 Å²	247	124.5 Å²	124.5	93%	0.932	67%	0.673	S	S	*	*			trans	-141.5	90.1	145.4	-72.9	-160.8	-179.3	-147.1	-0.1	111.1	S619	R617-S619 PolarHBondContact O-N 2.65Å
618	V	52.8	Low	52.4	Low	93 Å²	93	123.3 Å²	123.3	56%	0.564	66%	0.662	S	S	*	*			trans	-72.7	121.4	169.9	-177.7	0	0	0	0	108.7	V622 L623	V618-V622 HydrophobicContact CG1-CB 4.44Å; V618-L623 HydrophobicContact CB-CD1 4.15Å; V618-L623 HydrophobicContact CG1-CB 4.17Å; V618-L623 HydrophobicContact CG1-CD1 4.03Å
619	S	49.5	Very low	55	Low	79 Å²	79	118.3 Å²	118.3	55%	0.552	65%	0.651	S	S	*	*			trans	-66.1	138.4	177.5	-71.6	0	0	0	0	111.5	R617 S621 V622 L623	R617-S619 PolarHBondContact O-N 2.65Å; S619-S621 WeakPolarHBondContact CB-OG 3.41Å; S619-S621 PolarHBondContact O-N 3.29Å; S619-V622 PolarHBondContact O-N 3Å; S619-L623 PolarHBondContact O-N 3.39Å
620	I	58.2	Low	57.7	Low	137 Å²	137	117.3 Å²	117.3	70%	0.703	64%	0.64	S	S	*	*	H	α-helix	trans	-55	-29.9	-178.5	-64.4	171.1	0	0	0	111.8	V622 L623 V624	I620-V622 PolarHBondContact O-N 3.07Å; I620-L623 PolarHBondContact O-N 3.39Å; I620-V624 HydrophobicContact CG2-CG2 3.9Å; I620-V624 WeakPolarHBondContact O-CG2 3.27Å; I620-V624 PolarHBondContact O-N 3.32Å; I620-V624 VanDerWaalsContact O-N 3.08Å
621	S	61.6	Low	60.4	Low	92 Å²	92	118.7 Å²	118.7	64%	0.643	64%	0.64	S	S	*	*	H	α-helix	trans	-60.5	-22.1	174.4	52.2	0	0	0	0	115.3	S619 P625	S619-S621 WeakPolarHBondContact CB-OG 3.41Å; S619-S621 PolarHBondContact O-N 3.29Å; S621-P625 WeakPolarHBondContact O-CD 3.46Å; S621-P625 VanDerWaalsContact O-CG 3.3Å; S621-P625 WeakPolarHBondContact O-CG 3.36Å
622	V	65.2	Low	63.2	Low	98 Å²	98	115.9 Å²	115.9	59%	0.594	62%	0.618	S	S	*	*	H	α-helix	trans	-102.7	-35.2	176.5	-176.8	0	0	0	0	111	V618 S619 I620 P625 G626	V618-V622 HydrophobicContact CG1-CB 4.44Å; S619-V622 PolarHBondContact O-N 3Å; I620-V622 PolarHBondContact O-N 3.07Å; V622-P625 WeakPolarHBondContact O-CD 3.45Å; V622-G626 PolarHBondContact O-N 3.19Å
623	L	65.5	Low	65.5	Low	83 Å²	83	110.4 Å²	110.4	44%	0.435	60%	0.604	S	S	.	*	H	α-helix	trans	-69.6	-37.3	-176.6	-156.9	140.4	0	0	0	112.2	V618 S619 I620 G626 L627	V618-L623 HydrophobicContact CB-CD1 4.15Å; V618-L623 HydrophobicContact CG1-CB 4.17Å; V618-L623 HydrophobicContact CG1-CD1 4.03Å; S619-L623 PolarHBondContact O-N 3.39Å; I620-L623 PolarHBondContact O-N 3.39Å; L623-G626 PolarHBondContact O-N 3.1Å; L623-L627 HydrophobicContact CD2-CD1 3.58Å; L623-L627 HydrophobicContact CD2-CG 4.15Å; L623-L627 WeakPolarHBondContact O-CB 3.49Å; L623-L627 WeakPolarHBondContact O-CG 3.28Å; L623-L627 PolarHBondContact O-N 3.34Å
624	V	75.3	Confident	67.8	Low	82 Å²	82	105.6 Å²	105.6	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-66.5	-51.6	176.7	172.9	0	0	0	0	112.2	I620 G626 L627 L628	I620-V624 HydrophobicContact CG2-CG2 3.9Å; I620-V624 WeakPolarHBondContact O-CG2 3.27Å; I620-V624 PolarHBondContact O-N 3.32Å; I620-V624 VanDerWaalsContact O-N 3.08Å; V624-G626 VanDerWaalsContact C-N 3.3Å; V624-G626 PolarHBondContact O-N 3.46Å; V624-L627 PolarHBondContact O-N 3.39Å; V624-L628 WeakPolarHBondContact O-CB 3.49Å; V624-L628 PolarHBondContact O-N 2.84Å
625	P	77.9	Confident	70.5	Confident	74 Å²	74	99.1 Å²	99.1	48%	0.481	56%	0.56	S	S	.	*	H	α-helix	trans	-59.4	-37.6	173	-25.8	35	0	0	0	113.7	S621 V622 L628 L629	S621-P625 WeakPolarHBondContact O-CD 3.46Å; S621-P625 VanDerWaalsContact O-CG 3.3Å; S621-P625 WeakPolarHBondContact O-CG 3.36Å; V622-P625 WeakPolarHBondContact O-CD 3.45Å; P625-L628 PolarHBondContact O-N 3.09Å; P625-L629 WeakPolarHBondContact O-CB 3.24Å; P625-L629 PolarHBondContact O-N 3.45Å
626	G	79.5	Confident	72.4	Confident	36 Å²	36	100.9 Å²	100.9	37%	0.371	56%	0.557	S	S	.	*	H	α-helix	trans	-62.2	-50.3	177.8	0	0	0	0	0	112.7	V622 L623 V624 L628 L629 V630	V622-G626 PolarHBondContact O-N 3.19Å; L623-G626 PolarHBondContact O-N 3.1Å; V624-G626 VanDerWaalsContact C-N 3.3Å; V624-G626 PolarHBondContact O-N 3.46Å; G626-L628 VanDerWaalsContact C-N 3.31Å; G626-L628 PolarHBondContact O-N 3.26Å; G626-L629 PolarHBondContact O-N 3.26Å; G626-V630 WeakPolarHBondContact O-CG2 3.46Å; G626-V630 PolarHBondContact O-N 2.86Å
627	L	79.9	Confident	74.5	Confident	108 Å²	108	98.1 Å²	98.1	57%	0.565	55%	0.546	S	S	*	.	H	α-helix	trans	-62.5	-37.6	175.3	-73	177.9	0	0	0	112.2	L623 V624 L629 V630 F631	L623-L627 HydrophobicContact CD2-CD1 3.58Å; L623-L627 HydrophobicContact CD2-CG 4.15Å; L623-L627 WeakPolarHBondContact O-CB 3.49Å; L623-L627 WeakPolarHBondContact O-CG 3.28Å; L623-L627 PolarHBondContact O-N 3.34Å; V624-L627 PolarHBondContact O-N 3.39Å; L627-L629 VanDerWaalsContact C-N 3.33Å; L627-L629 PolarHBondContact O-N 3.18Å; L627-V630 PolarHBondContact O-N 2.97Å; L627-F631 WeakPolarHBondContact O-CB 3.44Å; L627-F631 PolarHBondContact O-N 3.19Å
628	L	84.1	Confident	76.8	Confident	105 Å²	105	90.6 Å²	90.6	55%	0.55	53%	0.527	S	S	.	.	H	α-helix	trans	-64.9	-38.3	177.2	-147.9	161.3	0	0	0	110.9	V624 P625 G626 F631 V632	V624-L628 WeakPolarHBondContact O-CB 3.49Å; V624-L628 PolarHBondContact O-N 2.84Å; P625-L628 PolarHBondContact O-N 3.09Å; G626-L628 VanDerWaalsContact C-N 3.31Å; G626-L628 PolarHBondContact O-N 3.26Å; L628-F631 PolarHBondContact O-N 3.11Å; L628-V632 HydrophobicContact CD2-CG2 3.87Å; L628-V632 WeakPolarHBondContact O-CB 3.35Å; L628-V632 VanDerWaalsContact O-CG2 3.25Å; L628-V632 WeakPolarHBondContact O-CG2 3.43Å; L628-V632 PolarHBondContact O-N 3.45Å
629	L	85.3	Confident	78.4	Confident	115 Å²	115	90.3 Å²	90.3	60%	0.602	53%	0.525	S	S	*	.	H	α-helix	trans	-70.2	-38.7	175.8	-158.4	149.5	0	0	0	112.2	P625 G626 L627 V632 T633	P625-L629 WeakPolarHBondContact O-CB 3.24Å; P625-L629 PolarHBondContact O-N 3.45Å; G626-L629 PolarHBondContact O-N 3.26Å; L627-L629 VanDerWaalsContact C-N 3.33Å; L627-L629 PolarHBondContact O-N 3.18Å; L629-V632 PolarHBondContact O-N 2.79Å; L629-T633 HydrophobicContact CD2-CG2 4.15Å; L629-T633 WeakPolarHBondContact O-CB 3.47Å; L629-T633 WeakPolarHBondContact O-CG2 3.33Å; L629-T633 PolarHBondContact O-N 3.3Å; L629-T633 PolarHBondContact O-OG1 3.3Å
630	V	85.6	Confident	80.1	Confident	92 Å²	92	88.4 Å²	88.4	56%	0.558	52%	0.518	S	S	*	.	H	α-helix	trans	-63.4	-39.8	170.8	174.1	0	0	0	0	111.7	G626 L627 T633 S634	G626-V630 WeakPolarHBondContact O-CG2 3.46Å; G626-V630 PolarHBondContact O-N 2.86Å; L627-V630 PolarHBondContact O-N 2.97Å; V630-T633 WeakPolarHBondContact CA-OG1 3.36Å; V630-T633 PolarHBondContact O-OG1 3.4Å; V630-T633 VanDerWaalsContact O-OG1 3.05Å; V630-S634 WeakPolarHBondContact O-CB 3.43Å; V630-S634 PolarHBondContact O-N 3.29Å; V630-S634 PolarHBondContact O-OG 2.69Å
631	F	87	Confident	81.2	Confident	151 Å²	151	87.8 Å²	87.8	66%	0.662	51%	0.514	S	S	*	.	H	α-helix	trans	-69.6	-40.3	177.1	-168.3	-93.9	0	0	0	112.6	L627 L628 S634 A635	L627-F631 WeakPolarHBondContact O-CB 3.44Å; L627-F631 PolarHBondContact O-N 3.19Å; L628-F631 PolarHBondContact O-N 3.11Å; F631-S634 PolarHBondContact O-OG 3.05Å; F631-A635 WeakPolarHBondContact O-CB 3.48Å; F631-A635 PolarHBondContact O-N 3.28Å
632	V	87.3	Confident	82.3	Confident	60 Å²	60	88.1 Å²	88.1	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-67	-42.6	175.9	166.4	0	0	0	0	110.9	L628 L629 A635 F636	L628-V632 HydrophobicContact CD2-CG2 3.87Å; L628-V632 WeakPolarHBondContact O-CB 3.35Å; L628-V632 VanDerWaalsContact O-CG2 3.25Å; L628-V632 WeakPolarHBondContact O-CG2 3.43Å; L628-V632 PolarHBondContact O-N 3.45Å; L629-V632 PolarHBondContact O-N 2.79Å; V632-A635 PolarHBondContact O-N 3.05Å; V632-F636 HydrophobicContact CG1-CD2 3.67Å; V632-F636 HydrophobicContact CG1-CE2 3.49Å; V632-F636 VanDerWaalsContact CG1-CE2 3.49Å; V632-F636 WeakPolarHBondContact O-CD2 3.28Å; V632-F636 PolarHBondContact O-N 2.86Å
633	T	82.7	Confident	83.2	Confident	71 Å²	71	87.5 Å²	87.5	44%	0.436	50%	0.504	S	S	.	.	H	α-helix	trans	-66.4	-39.3	176.2	48	0	0	0	0	112.5	L629 V630 F636 T637	L629-T633 HydrophobicContact CD2-CG2 4.15Å; L629-T633 WeakPolarHBondContact O-CB 3.47Å; L629-T633 WeakPolarHBondContact O-CG2 3.33Å; L629-T633 PolarHBondContact O-N 3.3Å; L629-T633 PolarHBondContact O-OG1 3.3Å; V630-T633 WeakPolarHBondContact CA-OG1 3.36Å; V630-T633 PolarHBondContact O-OG1 3.4Å; V630-T633 VanDerWaalsContact O-OG1 3.05Å; T633-F636 PolarHBondContact O-N 2.94Å; T633-T637 WeakPolarHBondContact O-CG2 3.49Å; T633-T637 PolarHBondContact O-N 3.36Å; T633-T637 PolarHBondContact O-OG1 3.25Å
634	S	87.3	Confident	83.9	Confident	51 Å²	51	89.2 Å²	89.2	36%	0.357	51%	0.508	S	S	.	.	H	α-helix	trans	-68	-36.8	174.4	70.4	0	0	0	0	112.6	V630 F631 F636 T637 V638	V630-S634 WeakPolarHBondContact O-CB 3.43Å; V630-S634 PolarHBondContact O-N 3.29Å; V630-S634 PolarHBondContact O-OG 2.69Å; F631-S634 PolarHBondContact O-OG 3.05Å; S634-F636 PolarHBondContact O-N 3Å; S634-T637 WeakPolarHBondContact CA-OG1 3.49Å; S634-T637 PolarHBondContact O-N 3.35Å; S634-T637 PolarHBondContact O-OG1 3.5Å; S634-V638 WeakPolarHBondContact O-CG2 3.3Å; S634-V638 PolarHBondContact O-N 3.39Å
635	A	87.8	Confident	84.1	Confident	46 Å²	46	89.8 Å²	89.8	38%	0.38	51%	0.508	S	S	.	.	H	α-helix	trans	-61	-43.5	171.3	0	0	0	0	0	111.7	F631 V632 V638 V639	F631-A635 WeakPolarHBondContact O-CB 3.48Å; F631-A635 PolarHBondContact O-N 3.28Å; V632-A635 PolarHBondContact O-N 3.05Å; A635-V638 PolarHBondContact O-N 3.42Å; A635-V639 WeakPolarHBondContact O-CG2 3.5Å; A635-V639 PolarHBondContact O-N 3.01Å
636	F	85.9	Confident	84	Confident	149 Å²	149	90.8 Å²	90.8	65%	0.654	51%	0.509	S	S	*	.	H	α-helix	trans	-68.4	-34.4	176.5	-79	-58.5	0	0	0	113.7	V632 T633 S634 G640	V632-F636 HydrophobicContact CG1-CD2 3.67Å; V632-F636 HydrophobicContact CG1-CE2 3.49Å; V632-F636 VanDerWaalsContact CG1-CE2 3.49Å; V632-F636 WeakPolarHBondContact O-CD2 3.28Å; V632-F636 PolarHBondContact O-N 2.86Å; T633-F636 PolarHBondContact O-N 2.94Å; S634-F636 PolarHBondContact O-N 3Å; F636-G640 PolarHBondContact O-N 3.13Å
637	T	85.4	Confident	83.7	Confident	91 Å²	91	96.9 Å²	96.9	56%	0.558	52%	0.52	S	S	*	.	H	α-helix	trans	-70.9	-36.8	174	57	0	0	0	0	112.1	T633 S634 G640 M641	T633-T637 WeakPolarHBondContact O-CG2 3.49Å; T633-T637 PolarHBondContact O-N 3.36Å; T633-T637 PolarHBondContact O-OG1 3.25Å; S634-T637 WeakPolarHBondContact CA-OG1 3.49Å; S634-T637 PolarHBondContact O-N 3.35Å; S634-T637 PolarHBondContact O-OG1 3.5Å; T637-G640 PolarHBondContact O-N 2.99Å; T637-M641 WeakPolarHBondContact O-CB 3.35Å; T637-M641 WeakPolarHBondContact O-CG 3.16Å; T637-M641 PolarHBondContact O-N 3.47Å
638	V	87.9	Confident	83	Confident	90 Å²	90	94.9 Å²	94.9	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-64.7	-46.3	172.8	171.1	0	0	0	0	111.2	S634 A635 G640 M641 L642	S634-V638 WeakPolarHBondContact O-CG2 3.3Å; S634-V638 PolarHBondContact O-N 3.39Å; A635-V638 PolarHBondContact O-N 3.42Å; V638-G640 VanDerWaalsContact C-N 3.32Å; V638-G640 PolarHBondContact O-N 3.02Å; V638-M641 PolarHBondContact O-N 3.13Å; V638-L642 WeakPolarHBondContact O-CB 3.38Å; V638-L642 PolarHBondContact O-N 3.49Å
639	V	87.5	Confident	82.2	Confident	86 Å²	86	98.1 Å²	98.1	52%	0.521	52%	0.515	S	S	.	.	H	α-helix	trans	-63.1	-39.9	174.3	172.2	0	0	0	0	111	A635 L642 V643	A635-V639 WeakPolarHBondContact O-CG2 3.5Å; A635-V639 PolarHBondContact O-N 3.01Å; V639-L642 PolarHBondContact O-N 3.4Å; V639-V643 HydrophobicContact CG1-CG2 4.3Å; V639-V643 WeakPolarHBondContact O-CB 3.4Å; V639-V643 VanDerWaalsContact O-CG2 3.3Å; V639-V643 WeakPolarHBondContact O-CG2 3.36Å; V639-V643 PolarHBondContact O-N 3.12Å
640	G	85.1	Confident	81.1	Confident	40 Å²	40	100.5 Å²	100.5	41%	0.412	52%	0.521	S	S	.	.	H	α-helix	trans	-61	-46.4	174.9	0	0	0	0	0	112.9	F636 T637 V638 V643 F644	F636-G640 PolarHBondContact O-N 3.13Å; T637-G640 PolarHBondContact O-N 2.99Å; V638-G640 VanDerWaalsContact C-N 3.32Å; V638-G640 PolarHBondContact O-N 3.02Å; G640-V643 PolarHBondContact O-N 3.2Å; G640-F644 VanDerWaalsContact O-CB 3.27Å; G640-F644 WeakPolarHBondContact O-CB 3.32Å; G640-F644 PolarHBondContact O-N 3.19Å
641	M	81.8	Confident	79.8	Confident	123 Å²	123	104 Å²	104	61%	0.606	52%	0.524	S	S	*	.	H	α-helix	trans	-59.1	-44.7	171.8	-83	-74.6	-161.6	0	0	111.5	T637 V638 F644 I645	T637-M641 WeakPolarHBondContact O-CB 3.35Å; T637-M641 WeakPolarHBondContact O-CG 3.16Å; T637-M641 PolarHBondContact O-N 3.47Å; V638-M641 PolarHBondContact O-N 3.13Å; M641-F644 WeakPolarHBondContact O-CB 3.24Å; M641-F644 PolarHBondContact O-N 3.17Å; M641-I645 WeakPolarHBondContact O-CB 3.38Å; M641-I645 VanDerWaalsContact O-CG1 3.23Å; M641-I645 WeakPolarHBondContact O-CG1 3.19Å; M641-I645 PolarHBondContact O-N 2.94Å
642	L	84	Confident	78.3	Confident	99 Å²	99	99.4 Å²	99.4	52%	0.518	51%	0.511	S	S	.	.	H	α-helix	trans	-70.1	-38.3	-177.6	-154.3	150.8	0	0	0	111.4	V638 V639 I645 L646	V638-L642 WeakPolarHBondContact O-CB 3.38Å; V638-L642 PolarHBondContact O-N 3.49Å; V639-L642 PolarHBondContact O-N 3.4Å; L642-I645 PolarHBondContact O-N 3.25Å; L642-L646 HydrophobicContact CD2-CD1 3.67Å; L642-L646 HydrophobicContact CD2-CG 4.12Å; L642-L646 WeakPolarHBondContact O-CB 3.36Å; L642-L646 VanDerWaalsContact O-CG 3.27Å; L642-L646 WeakPolarHBondContact O-CG 3.35Å; L642-L646 PolarHBondContact O-N 3.34Å
643	V	84.6	Confident	76.7	Confident	85 Å²	85	104.6 Å²	104.6	52%	0.515	53%	0.528	S	S	.	.	H	α-helix	trans	-65	-39.6	169.6	170	0	0	0	0	111.4	V639 G640 L646 R647	V639-V643 HydrophobicContact CG1-CG2 4.3Å; V639-V643 WeakPolarHBondContact O-CB 3.4Å; V639-V643 VanDerWaalsContact O-CG2 3.3Å; V639-V643 WeakPolarHBondContact O-CG2 3.36Å; V639-V643 PolarHBondContact O-N 3.12Å; G640-V643 PolarHBondContact O-N 3.2Å; V643-L646 PolarHBondContact O-N 3.34Å; V643-R647 WeakPolarHBondContact O-CB 3.39Å; V643-R647 PolarHBondContact O-N 3.45Å
644	F	79.1	Confident	75.2	Confident	119 Å²	119	111.5 Å²	111.5	52%	0.522	55%	0.547	S	S	.	.	H	α-helix	trans	-64.3	-44.7	175	178.9	-99.1	0	0	0	111.7	G640 M641 R647 N648	G640-F644 VanDerWaalsContact O-CB 3.27Å; G640-F644 WeakPolarHBondContact O-CB 3.32Å; G640-F644 PolarHBondContact O-N 3.19Å; M641-F644 WeakPolarHBondContact O-CB 3.24Å; M641-F644 PolarHBondContact O-N 3.17Å; F644-R647 PolarHBondContact O-N 2.85Å; F644-N648 WeakPolarHBondContact CE1-ND2 3.42Å; F644-N648 WeakPolarHBondContact CZ-ND2 3.48Å; F644-N648 WeakPolarHBondContact O-CB 3.27Å; F644-N648 PolarHBondContact O-N 3.45Å
645	I	80.4	Confident	73.5	Confident	94 Å²	94	118.9 Å²	118.9	48%	0.482	57%	0.566	S	S	.	*	H	α-helix	trans	-63.7	-43.7	175.1	-70	164.1	0	0	0	110.7	M641 L642 N648 R649	M641-I645 WeakPolarHBondContact O-CB 3.38Å; M641-I645 VanDerWaalsContact O-CG1 3.23Å; M641-I645 WeakPolarHBondContact O-CG1 3.19Å; M641-I645 PolarHBondContact O-N 2.94Å; L642-I645 PolarHBondContact O-N 3.25Å; I645-N648 CarbonylContact O-C 3.55Å; I645-N648 PolarHBondContact O-N 2.82Å; I645-R649 WeakPolarHBondContact O-CG 3.26Å; I645-R649 PolarHBondContact O-N 2.79Å
646	L	75.9	Confident	71.5	Confident	96 Å²	96	121.3 Å²	121.3	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-65.4	-39.1	175.1	-73.8	175.1	0	0	0	112	L642 V643 R649 K650	L642-L646 HydrophobicContact CD2-CD1 3.67Å; L642-L646 HydrophobicContact CD2-CG 4.12Å; L642-L646 WeakPolarHBondContact O-CB 3.36Å; L642-L646 VanDerWaalsContact O-CG 3.27Å; L642-L646 WeakPolarHBondContact O-CG 3.35Å; L642-L646 PolarHBondContact O-N 3.34Å; V643-L646 PolarHBondContact O-N 3.34Å; L646-R649 PolarHBondContact O-N 3.02Å; L646-K650 WeakPolarHBondContact O-CB 3.46Å; L646-K650 PolarHBondContact O-N 2.81Å
647	R	73.6	Confident	69.5	Low	163 Å²	163	116.8 Å²	116.8	62%	0.615	57%	0.569	S	S	*	*	H	α-helix	trans	-66.7	-36.6	174.7	-174.7	172.7	175.6	166.5	-2.6	111.6	V643 F644 K650 R651	V643-R647 WeakPolarHBondContact O-CB 3.39Å; V643-R647 PolarHBondContact O-N 3.45Å; F644-R647 PolarHBondContact O-N 2.85Å; R647-K650 PolarHBondContact O-N 3.44Å; R647-R651 PolarHBondContact O-N 2.76Å
648	N	64.6	Low	67.8	Low	67 Å²	67	119.3 Å²	119.3	36%	0.358	58%	0.579	S	S	.	*	H	α-helix	trans	-72.9	-37.5	172.6	-86.3	-5.7	0	0	0	112.6	F644 I645 K650 R651 S652	F644-N648 WeakPolarHBondContact CE1-ND2 3.42Å; F644-N648 WeakPolarHBondContact CZ-ND2 3.48Å; F644-N648 WeakPolarHBondContact O-CB 3.27Å; F644-N648 PolarHBondContact O-N 3.45Å; I645-N648 CarbonylContact O-C 3.55Å; I645-N648 PolarHBondContact O-N 2.82Å; N648-K650 VanDerWaalsContact C-N 3.28Å; N648-K650 PolarHBondContact O-N 2.83Å; N648-R651 CarbonylContact O-C 3.51Å; N648-R651 PolarHBondContact O-N 3.39Å; N648-S652 PolarHBondContact O-N 2.85Å
649	R	68.4	Low	65.6	Low	172 Å²	172	119.8 Å²	119.8	65%	0.649	59%	0.586	S	S	*	*	H	α-helix	trans	-63.7	-33	169	-75.2	-177.9	78.3	177.4	5.1	111.9	I645 L646 S652 K653	I645-R649 WeakPolarHBondContact O-CG 3.26Å; I645-R649 PolarHBondContact O-N 2.79Å; L646-R649 PolarHBondContact O-N 3.02Å; R649-S652 PolarHBondContact O-N 3.09Å; R649-K653 WeakPolarHBondContact O-CB 3.21Å; R649-K653 PolarHBondContact O-N 3.03Å
650	K	61.1	Low	63.3	Low	166 Å²	166	121.2 Å²	121.2	72%	0.722	60%	0.6	S	S	*	*	H	α-helix	trans	-76	-26	174.2	-153.1	171.2	-172.2	176.5	0	112.8	L646 R647 N648 R654	L646-K650 WeakPolarHBondContact O-CB 3.46Å; L646-K650 PolarHBondContact O-N 2.81Å; R647-K650 PolarHBondContact O-N 3.44Å; N648-K650 VanDerWaalsContact C-N 3.28Å; N648-K650 PolarHBondContact O-N 2.83Å; K650-R654 PolarHBondContact O-N 3.3Å
651	R	57.8	Low	60.9	Low	164 Å²	164	123.9 Å²	123.9	62%	0.619	62%	0.618	S	S	*	*	H	α-helix	trans	-75.1	-38.9	165.8	-85.3	-179.5	161.8	173.2	-8	112.3	R647 N648 R654 R655	R647-R651 PolarHBondContact O-N 2.76Å; N648-R651 CarbonylContact O-C 3.51Å; N648-R651 PolarHBondContact O-N 3.39Å; R651-R654 WeakPolarHBondContact O-CB 3.31Å; R651-R654 PolarHBondContact O-N 3.26Å; R651-R654 VanDerWaalsContact O-N 3.13Å; R651-R655 PolarHBondContact O-N 2.91Å; R651-R655 VanDerWaalsContact O-N 3.08Å
652	S	55.8	Low	58.8	Low	56 Å²	56	123.6 Å²	123.6	39%	0.392	63%	0.628	S	S	.	*	H	α-helix	trans	-60.3	-53.2	172.2	-163.8	0	0	0	0	110.1	N648 R649 R654 R655 D656	N648-S652 PolarHBondContact O-N 2.85Å; R649-S652 PolarHBondContact O-N 3.09Å; S652-R654 PolarHBondContact O-N 2.8Å; S652-R655 CarbonylContact O-C 3.57Å; S652-R655 WeakPolarHBondContact O-CA 3.36Å; S652-R655 WeakPolarHBondContact O-CB 3.19Å; S652-R655 PolarHBondContact O-N 3.48Å; S652-D656 PolarHBondContact O-N 3.21Å; S652-D656 PolarHBondContact OG-OD2 2.94Å
653	K	54	Low	56.4	Low	168 Å²	168	127 Å²	127	73%	0.73	64%	0.642	S	S	*	*	H	α-helix	trans	-60	-13	174.4	-78	-167	169.5	-167.6	0	115.2	R649	R649-K653 WeakPolarHBondContact O-CB 3.21Å; R649-K653 PolarHBondContact O-N 3.03Å
654	R	51.6	Low	54	Low	217 Å²	217	129.5 Å²	129.5	82%	0.819	65%	0.651	S	S	*	*	H	α-helix	trans	-91.1	-19.5	167.8	-89.7	-171.8	170.6	-173.2	-2.7	113.8	K650 R651 S652	K650-R654 PolarHBondContact O-N 3.3Å; R651-R654 WeakPolarHBondContact O-CB 3.31Å; R651-R654 PolarHBondContact O-N 3.26Å; R651-R654 VanDerWaalsContact O-N 3.13Å; S652-R654 PolarHBondContact O-N 2.8Å
655	R	50.6	Low	51.8	Low	205 Å²	205	130.9 Å²	130.9	77%	0.774	66%	0.663	S	S	*	*	H	α-helix	trans	-86.4	-38.3	172.9	-161.7	172.4	-176.2	172.6	-0.5	111.2	R651 S652 G657 N658	R651-R655 PolarHBondContact O-N 2.91Å; R651-R655 VanDerWaalsContact O-N 3.08Å; S652-R655 CarbonylContact O-C 3.57Å; S652-R655 WeakPolarHBondContact O-CA 3.36Å; S652-R655 WeakPolarHBondContact O-CB 3.19Å; S652-R655 PolarHBondContact O-N 3.48Å; R655-G657 PolarHBondContact O-N 2.92Å; R655-N658 PolarHBondContact O-N 2.81Å
656	D	46.9	Very low	49.4	Very low	97 Å²	97	131.3 Å²	131.3	52%	0.519	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.1	-10	178.5	-50.3	-34.5	0	0	0	112.7	S652 N658	S652-D656 PolarHBondContact O-N 3.21Å; S652-D656 PolarHBondContact OG-OD2 2.94Å; D656-N658 VanDerWaalsContact C-N 3.34Å
657	G	43.7	Very low	47.2	Very low	55 Å²	55	135 Å²	135	57%	0.567	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-0.1	170.9	0	0	0	0	0	114.7	R655	R655-G657 PolarHBondContact O-N 2.92Å
658	N	48.8	Very low	45.1	Very low	144 Å²	144	135.7 Å²	135.7	77%	0.77	70%	0.704	S	S	*	*	S	Bend	trans	-125	17.2	-176.4	-113.1	77.4	0	0	0	112.8	R655 D656	R655-N658 PolarHBondContact O-N 2.81Å; D656-N658 VanDerWaalsContact C-N 3.34Å
659	S	43.4	Very low	43.6	Very low	99 Å²	99	138.3 Å²	138.3	69%	0.692	72%	0.723	S	S	*	*			trans	-145.5	59	179.2	-61.6	0	0	0	0	111.2
660	S	37.6	Very low	41.8	Very low	116 Å²	116	136.2 Å²	136.2	81%	0.811	73%	0.729	S	S	*	*			trans	-100.1	68.1	170	-54.2	0	0	0	0	110.4
661	A	35.9	Very low	40.1	Very low	96 Å²	96	133.3 Å²	133.3	79%	0.793	73%	0.728	S	S	*	*			trans	-164.7	121.6	162.2	0	0	0	0	0	106.2
662	S	37.8	Very low	38.6	Very low	118 Å²	118	132.7 Å²	132.7	83%	0.825	74%	0.737	S	S	*	*			cis	-139.3	164.9	11.5	52.8	0	0	0	0	112.5
663	E	33.6	Very low	37.2	Very low	171 Å²	171	135.3 Å²	135.3	80%	0.799	76%	0.756	S	S	*	*			trans	-38.1	132.1	170.6	-68.9	177.2	146	0	0	113.9
664	I	34.3	Very low	36	Very low	137 Å²	137	131.6 Å²	131.6	70%	0.703	75%	0.751	S	S	*	*				94.1	117.5	57.7	-77.8	171.8	0	0	0	112.2
665	N	31.3	Very low	34.9	Very low	147 Å²	147	129.5 Å²	129.5	79%	0.786	74%	0.744	S	S	*	*			trans	65.9	151.5	153.6	-71	0.4	0	0	0	119.9
666	S	31.5	Very low	34	Very low	103 Å²	103	129.7 Å²	129.7	72%	0.72	75%	0.745	S	S	*	*			cis	-167.1	149.4	-10.7	41.5	0	0	0	0	109.4
667	L	28.7	Very low	33.2	Very low	174 Å²	174	132.2 Å²	132.2	91%	0.911	75%	0.753	S	S	*	*			trans	-139.3	101.8	160.2	-115.9	165	0	0	0	110.6
668	Q	30.8	Very low	32.5	Very low	177 Å²	177	135.7 Å²	135.7	83%	0.827	77%	0.769	S	S	*	*			trans	-141.7	107.6	160.6	173.6	167.7	-8.8	0	0	107.8
669	T	31.5	Very low	31.5	Very low	123 Å²	123	132.3 Å²	132.3	76%	0.755	77%	0.768	S	S	*	*			trans	-169.1	111.1	146.8	22.1	0	0	0	0	109.7
670	V	31.2	Very low	31.6	Very low	127 Å²	127	132.5 Å²	132.5	77%	0.77	77%	0.767	S	S	*	*				6.3	149.1	124.2	-177	0	0	0	0	118
671	C	25.9	Very low	31.3	Very low	105 Å²	105	136.2 Å²	136.2	71%	0.709	77%	0.765	S	S	*	*			trans	93	125.6	168.7	-82.6	0	0	0	0	118.1
672	D	26.3	Very low	31.1	Very low	151 Å²	151	140.1 Å²	140.1	81%	0.807	77%	0.766	S	S	*	*			trans	23.6	125.6	142.2	-53.5	-45.6	0	0	0	119.2
673	S	25.6	Very low	30.8	Very low	112 Å²	112	138 Å²	138	78%	0.783	76%	0.756	S	S	*	*				-173.5	145.4	95.1	-168.8	0	0	0	0	111.8
674	S	28.6	Very low	30.8	Very low	89 Å²	89	137.8 Å²	137.8	62%	0.622	76%	0.76	S	S	*	*			trans	-70.4	177.5	155.6	47.1	0	0	0	0	111.7
675	Y	29.9	Very low	30.7	Very low	174 Å²	174	134.8 Å²	134.8	68%	0.682	76%	0.763	S	S	*	*			trans	89.3	141.5	154.4	-93.3	-79.8	0	0	0	122.5
676	W	30.2	Very low	30.8	Very low	208 Å²	208	131.6 Å²	131.6	79%	0.788	76%	0.764	S	S	*	*			trans	74.9	102.7	171.4	-50.4	102.2	0	0	0	117.1
677	H	30.2	Very low	30.9	Very low	151 Å²	151	130.9 Å²	130.9	70%	0.699	77%	0.765	S	S	*	*				72.8	117.8	66.7	-80.7	-69.5	0	0	0	115.4
678	S	29.3	Very low	31.1	Very low	128 Å²	128	130 Å²	130	90%	0.895	76%	0.755	S	S	*	*				179.5	146.1	104.5	42.4	0	0	0	0	111.8
679	G	28.6	Very low	31.3	Very low	73 Å²	73	132 Å²	132	75%	0.753	76%	0.756	S	S	*	*			trans	149.4	98.6	-175.7	0	0	0	0	0	111.5
680	P	44.5	Very low	31.4	Very low	102 Å²	102	129.1 Å²	129.1	66%	0.662	75%	0.751	S	S	*	*			trans	-111.3	167.2	-161.3	35.9	-26.8	0	0	0	116.4
681	Y	32	Very low	31.5	Very low	195 Å²	195	132.1 Å²	132.1	77%	0.765	75%	0.753	S	S	*	*			trans	128.1	120.3	145.3	-69.4	-61.8	0	0	0	116.6
682	H	31.9	Very low	31.7	Very low	177 Å²	177	132.9 Å²	132.9	82%	0.819	75%	0.751	S	S	*	*			trans	39.5	145.3	144.5	-61.7	-58.2	0	0	0	121.9
683	A	31.7	Very low	31.8	Very low	74 Å²	74	131 Å²	131	61%	0.612	75%	0.748	S	S	*	*			cis	-168.5	173.6	-9.9	0	0	0	0	0	109.9
684	D	32.7	Very low	32.1	Very low	167 Å²	167	129.8 Å²	129.8	89%	0.893	74%	0.74	S	S	*	*			trans	63.5	127.8	158.5	-64.8	-17.2	0	0	0	122.7
685	G	33.3	Very low	32.5	Very low	74 Å²	74	131.1 Å²	131.1	76%	0.763	74%	0.744	S	S	*	*				126.2	102.2	118.4	0	0	0	0	0	119.4
686	G	32.3	Very low	32.7	Very low	79 Å²	79	131.1 Å²	131.1	81%	0.814	75%	0.75	S	S	*	*			trans	74.4	111.4	153.3	0	0	0	0	0	116.9
687	A	33.3	Very low	32.9	Very low	88 Å²	88	128 Å²	128	73%	0.727	75%	0.748	S	S	*	*			cis	88.3	116.9	35	0	0	0	0	0	116
688	H	34.6	Very low	33	Very low	155 Å²	155	126.6 Å²	126.6	72%	0.718	76%	0.755	S	S	*	*			trans	75.1	112.7	157.1	-62.8	-42.9	0	0	0	118.8
689	R	34	Very low	33.7	Very low	220 Å²	220	125 Å²	125	83%	0.83	75%	0.75	S	S	*	*				82.7	135.1	82	-80.5	-178.9	174	173.8	-4.4	112.2
690	G	32.6	Very low	34.1	Very low	63 Å²	63	128.5 Å²	128.5	65%	0.649	76%	0.756	S	S	*	*			cis	163.3	-163.9	-2.5	0	0	0	0	0	112.5
691	F	33.7	Very low	34.3	Very low	189 Å²	189	130.8 Å²	130.8	83%	0.829	76%	0.763	S	S	*	*			trans	67.5	150.6	171.6	-70.2	-97	0	0	0	117.7
692	D	30.4	Very low	35	Very low	122 Å²	122	129.5 Å²	129.5	65%	0.652	77%	0.769	S	S	*	*			cis	-173.4	-166.8	-31.2	-150.2	-22.5	0	0	0	108.7
693	C	29.4	Very low	35.5	Very low	112 Å²	112	129.7 Å²	129.7	76%	0.757	80%	0.802	S	S	*	*			trans	103	69.4	162.2	-60.4	0	0	0	0	117.2
694	S	30.7	Very low	35.7	Very low	86 Å²	86	132.5 Å²	132.5	60%	0.601	81%	0.811	S	S	*	*				7.3	124.7	114.5	22.9	0	0	0	0	117.3
695	T	38	Very low	35.9	Very low	116 Å²	116	130.7 Å²	130.7	71%	0.712	81%	0.807	S	S	*	*				60.4	124.5	73.4	67.9	0	0	0	0	116.9
696	H	33.1	Very low	36	Very low	174 Å²	174	133.8 Å²	133.8	81%	0.806	81%	0.809	S	S	*	*			trans	-167.6	118	131.5	-108.7	-83.7	0	0	0	107.9
697	L	34	Very low	36.2	Very low	144 Å²	144	137.1 Å²	137.1	75%	0.754	81%	0.809	S	S	*	*				55.5	123.8	80.3	-95.5	94	0	0	0	113.9
698	S	33.6	Very low	36.4	Very low	120 Å²	120	140.1 Å²	140.1	84%	0.839	81%	0.814	S	S	*	*				-171.8	165.3	78.4	33.8	0	0	0	0	112.9
699	A	42.9	Very low	36.5	Very low	96 Å²	96	139.1 Å²	139.1	79%	0.793	82%	0.82	S	S	*	*			trans	-114.6	160.9	175.4	0	0	0	0	0	110.9
700	V	37.4	Very low	36.7	Very low	145 Å²	145	133.4 Å²	133.4	88%	0.879	82%	0.82	S	S	*	*			trans	-149.1	134	160.7	177.2	0	0	0	0	109.6
701	D	48.8	Very low	37	Very low	151 Å²	151	138.8 Å²	138.8	81%	0.807	83%	0.833	S	S	*	*			trans	-103.8	169.2	163	-91.3	-45.8	0	0	0	110.2
702	D	45.8	Very low	37.3	Very low	167 Å²	167	134.6 Å²	134.6	89%	0.893	83%	0.833	S	S	*	*			trans	105.7	103.1	165	-72.6	-23.7	0	0	0	118.2
703	A	43.8	Very low	38	Very low	182 Å²	182	135.7 Å²	135.7	100%	1.504	85%	0.85	S	S	*	*			trans	179.4	0	132.4	0	0	0	0	0	111.5

Retrieved 703 of 703 residues in 577.1 ms (Link to these results)

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