A0A087X9S9_POEFO Loading...

SEFIR domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X9S9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 499 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	N	33.3	Very low	41.6	Very low	217 Å²	217	132.4 Å²	132.4	100%	1.16	69%	0.687	S	S	*	*				0	94.4	0	-76.5	-7.2	0	0	0	109.1
2	T	39.5	Very low	42.2	Very low	129 Å²	129	138.3 Å²	138.3	79%	0.791	71%	0.709	S	S	*	*			trans	-108.5	37.1	-170	48.7	0	0	0	0	112.9
3	M	35.2	Very low	43.3	Very low	157 Å²	157	134.2 Å²	134.2	77%	0.773	69%	0.694	S	S	*	*			trans	-140	113	172.2	-92.4	-172.7	148.8	0	0	109.9
4	H	43.3	Very low	44.4	Very low	78 Å²	78	131.4 Å²	131.4	36%	0.361	69%	0.686	S	S	.	*			trans	-79.6	150.5	177.6	-172.8	-100.8	0	0	0	111.1	S6	H4-S6 WeakPolarHBondContact ND1-CB 3.41Å; H4-S6 PolarHBondContact ND1-N 3.24Å; H4-S6 PolarHBondContact ND1-OG 3.15Å; H4-S6 PolarHBondContact O-N 3.42Å; H4-S6 VanDerWaalsContact O-N 3.14Å
5	S	44.7	Very low	45.8	Very low	98 Å²	98	123.3 Å²	123.3	69%	0.685	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-72.2	-0.3	-177.5	49.5	0	0	0	0	115	W7	S5-W7 VanDerWaalsContact C-N 3.32Å; S5-W7 PolarHBondContact O-N 3.47Å
6	S	45.9	Very low	47.5	Very low	43 Å²	43	115.9 Å²	115.9	30%	0.301	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-77.8	-7.9	-177.8	58.2	0	0	0	0	115.1	H4 L8	H4-S6 WeakPolarHBondContact ND1-CB 3.41Å; H4-S6 PolarHBondContact ND1-N 3.24Å; H4-S6 PolarHBondContact ND1-OG 3.15Å; H4-S6 PolarHBondContact O-N 3.42Å; H4-S6 VanDerWaalsContact O-N 3.14Å; S6-L8 PolarHBondContact O-N 3.33Å
7	W	45.8	Very low	49.4	Very low	166 Å²	166	109.9 Å²	109.9	63%	0.629	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-62.1	-4.3	176.6	-67.2	103.4	0	0	0	114.4	S5	S5-W7 VanDerWaalsContact C-N 3.32Å; S5-W7 PolarHBondContact O-N 3.47Å
8	L	40.6	Very low	51.5	Low	156 Å²	156	104.2 Å²	104.2	82%	0.817	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-112.7	0.8	-169	-69.5	169	0	0	0	115.2	S6	S6-L8 PolarHBondContact O-N 3.33Å
9	L	41.7	Very low	53.5	Low	134 Å²	134	103.1 Å²	103.1	70%	0.702	54%	0.541	S	S	*	.			trans	-133.4	105.2	-176.2	-74	165.6	0	0	0	112.5	Q11	L9-Q11 PolarHBondContact O-N 3.26Å
10	M	36.4	Very low	55.4	Low	164 Å²	164	101.4 Å²	101.4	81%	0.808	53%	0.527	S	S	*	.			trans	-58.1	116.7	164.9	-94.8	-174.3	170.8	0	0	109.5
11	Q	51.8	Low	57	Low	114 Å²	114	100 Å²	100	53%	0.533	52%	0.52	S	S	.	.			trans	-111.2	132.6	170.8	-73	-172.5	-8.6	0	0	110.6	L9 V13	L9-Q11 PolarHBondContact O-N 3.26Å; Q11-V13 PolarHBondContact O-N 3.46Å
12	H	48.3	Very low	59.8	Low	204 Å²	204	91.1 Å²	91.1	94%	0.944	48%	0.475	S	S	*	.	S	Bend	trans	-74.2	1.8	-173.4	-82.8	-61.9	0	0	0	115.3
13	V	56.3	Low	62.4	Low	85 Å²	85	87 Å²	87	52%	0.515	45%	0.45	S	S	.	.	S	Bend	trans	-130.5	110	178.7	-174.3	0	0	0	0	108.5	Q11 A50	Q11-V13 PolarHBondContact O-N 3.46Å; V13-A50 HydrophobicContact CB-CB 4.19Å; V13-A50 HydrophobicContact CG1-CB 3.74Å
14	T	59	Low	65.1	Low	95 Å²	95	84.9 Å²	84.9	58%	0.583	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-82.4	125.2	178.2	48	0	0	0	0	110.1	P110	T14-P110 HydrophobicContact CG2-CB 3.65Å
15	P	64.9	Low	67.5	Low	9 Å²	9	81.8 Å²	81.8	6%	0.058	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-66.5	155.5	174	26.8	-31.6	0	0	0	111	I51 P108	P15-I51 HydrophobicContact CB-CG1 3.55Å; P15-P108 WeakPolarHBondContact CD-O 3.48Å; P15-P108 HydrophobicContact CG-CG 4.48Å; P15-P108 WeakPolarHBondContact CG-O 3.5Å
16	A	73.8	Confident	69.8	Low	6 Å²	6	80.6 Å²	80.6	5%	0.05	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-73.1	151.9	173.7	0	0	0	0	0	112.5	Q43 D45 H106	A16-Q43 HydrophobicContact CB-CB 4.22Å; A16-D45 WeakPolarHBondContact CB-OD1 3.38Å; A16-D45 WeakPolarHBondContact CB-OD2 3.35Å; A16-H106 PolarHBondContact O-ND1 3.38Å
17	G	78.8	Confident	72	Confident	14 Å²	14	80.3 Å²	80.3	14%	0.144	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-69.3	154.7	175.4	0	0	0	0	0	112.3
18	P	87.9	Confident	74.2	Confident	7 Å²	7	73.9 Å²	73.9	5%	0.045	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	158.2	167.1	28.8	-35.1	0	0	0	111.8	W40 V104 H106 I117	P18-W40 HydrophobicContact CB-CG 4.48Å; P18-V104 HydrophobicContact CB-CG1 4.17Å; P18-V104 HydrophobicContact CG-CB 4.32Å; P18-V104 HydrophobicContact CG-CG1 4.04Å; P18-V104 WeakPolarHBondContact CG-O 3.21Å; P18-H106 VanDerWaalsContact CA-CE1 3.47Å; P18-H106 WeakPolarHBondContact CA-CE1 3.48Å; P18-I117 HydrophobicContact CB-CD1 3.68Å; P18-I117 HydrophobicContact CB-CG1 4.29Å; P18-I117 HydrophobicContact CG-CB 4.46Å; P18-I117 HydrophobicContact CG-CD1 3.68Å; P18-I117 HydrophobicContact CG-CG1 3.7Å; P18-I117 HydrophobicContact CG-CG2 4.18Å; P18-I117 WeakPolarHBondContact O-CG2 3.42Å
19	E	89.3	Confident	76.4	Confident	82 Å²	82	76.8 Å²	76.8	38%	0.383	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.7	172.5	-171.1	-173.3	172.1	0	0	110.2	D21 W40 K41 R85	E19-D21 PolarHBondContact O-N 3.48Å; E19-W40 CarbonylContact O-C 3.55Å; E19-W40 WeakPolarHBondContact O-CA 3.18Å; E19-W40 WeakPolarHBondContact O-CB 3.42Å; E19-K41 PolarHBondContact N-O 3.27Å; E19-K41 PolarHBondContact O-N 3.4Å; E19-R85 IonicContact OE2-CZ 3.55Å; E19-R85 IonicContact OE2-NH1 2.71Å; E19-R85 PolarHBondContact OE2-NH1 3.03Å; E19-R85 IonicContact OE2-NH2 3.44Å; E19-R85 PolarHBondContact OE2-NH2 3.44Å
20	W	90.6	Very high	78.6	Confident	70 Å²	70	75.6 Å²	75.6	27%	0.265	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	134.9	176.2	-72.5	123.3	0	0	0	111.5	V23 V38 I102 V104 I117 T119	W20-V23 HydrophobicContact CE3-CG2 4.12Å; W20-V23 HydrophobicContact CZ3-CG2 4.2Å; W20-V38 HydrophobicContact CE3-CG1 4.47Å; W20-V38 HydrophobicContact CH2-CG1 4.3Å; W20-V38 HydrophobicContact CZ3-CG1 3.56Å; W20-I102 HydrophobicContact CH2-CB 4.36Å; W20-I102 HydrophobicContact CH2-CG2 3.77Å; W20-I102 HydrophobicContact CZ3-CG2 4.44Å; W20-V104 HydrophobicContact CH2-CB 4.43Å; W20-V104 HydrophobicContact CH2-CG2 3.7Å; W20-V104 HydrophobicContact CZ3-CG2 3.96Å; W20-I117 HydrophobicContact CD2-CD1 3.54Å; W20-I117 HydrophobicContact CD2-CG1 4.12Å; W20-I117 HydrophobicContact CE3-CD1 3.78Å; W20-I117 HydrophobicContact CG-CD1 3.99Å; W20-I117 HydrophobicContact CH2-CD1 4.08Å; W20-I117 HydrophobicContact CH2-CG1 4.02Å; W20-I117 HydrophobicContact CZ2-CB 4.05Å; W20-I117 HydrophobicContact CZ2-CD1 3.89Å; W20-I117 HydrophobicContact CZ2-CG1 3.57Å; W20-I117 HydrophobicContact CZ3-CD1 4.03Å; W20-I117 HydrophobicContact CZ3-CG1 4.47Å; W20-T119 HydrophobicContact CD2-CG2 4.41Å; W20-T119 HydrophobicContact CH2-CG2 3.69Å; W20-T119 HydrophobicContact CZ2-CG2 3.35Å; W20-T119 HydrophobicContact CZ3-CG2 4.33Å
21	D	90.7	Very high	81	Confident	71 Å²	71	69.1 Å²	69.1	38%	0.38	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-57.1	169.2	-179	60.2	0	0	0	110.9	E19 S39 K41 T87	E19-D21 PolarHBondContact O-N 3.48Å; D21-S39 WeakPolarHBondContact CB-O 3.47Å; D21-S39 PolarHBondContact N-O 2.99Å; D21-K41 HydrophobicContact CB-CD 4.11Å; D21-K41 HydrophobicContact CB-CG 4.15Å; D21-K41 WeakPolarHBondContact OD1-CE 3.28Å; D21-K41 IonicContact OD1-NZ 2.65Å; D21-K41 PolarHBondContact OD1-NZ 3.5Å; D21-T87 HydrophobicContact CB-CG2 4.37Å
22	S	91.9	Very high	82.7	Confident	31 Å²	31	65.3 Å²	65.3	22%	0.217	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	148.1	177.6	59.7	0	0	0	0	112.6	S39	S22-S39 PolarHBondContact N-O 2.97Å; S22-S39 VanDerWaalsContact N-O 3.16Å; S22-S39 PolarHBondContact O-N 3.49Å; S22-S39 WeakPolarHBondContact OG-CB 3.18Å; S22-S39 PolarHBondContact OG-OG 2.91Å
23	V	92.5	Very high	84.8	Confident	44 Å²	44	57.4 Å²	57.4	27%	0.267	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	111	169	-179.2	0	0	0	0	107.2	W20 V36 N37 V38 I102 T119 T121	W20-V23 HydrophobicContact CE3-CG2 4.12Å; W20-V23 HydrophobicContact CZ3-CG2 4.2Å; V23-V36 HydrophobicContact CG1-CG1 3.73Å; V23-N37 WeakPolarHBondContact CA-O 3.24Å; V23-V38 HydrophobicContact CG2-CG1 4.27Å; V23-I102 HydrophobicContact CG1-CD1 3.88Å; V23-T119 HydrophobicContact CG2-CG2 4.01Å; V23-T121 HydrophobicContact CG1-CG2 4.2Å
24	Q	93.4	Very high	86.6	Confident	112 Å²	112	53.4 Å²	53.4	52%	0.523	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.3	-172.5	-63.7	-174.7	-1.1	0	0	111.3	N37	Q24-N37 PolarHBondContact N-O 3.05Å; Q24-N37 PolarHBondContact O-N 2.81Å
25	V	93.6	Very high	88.2	Confident	13 Å²	13	49.1 Å²	49.1	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.5	170.5	-174.8	0	0	0	0	108.5	V36 V123 I131	V25-V36 HydrophobicContact CG2-CG2 4.27Å; V25-V123 HydrophobicContact CG1-CG1 4.08Å; V25-I131 HydrophobicContact CG1-CG2 3.83Å
26	Q	92.8	Very high	89.6	Confident	72 Å²	72	48.9 Å²	48.9	34%	0.336	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	173.5	177.8	62.2	-175.9	9.5	0	0	110.5	V35	Q26-V35 HydrophobicContact CG-CG2 3.79Å; Q26-V35 PolarHBondContact N-O 3.19Å; Q26-V35 PolarHBondContact O-N 3.13Å; Q26-V35 VanDerWaalsContact O-O 3.08Å
27	T	91.4	Very high	90.5	Very high	37 Å²	37	50.2 Å²	50.2	23%	0.227	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	144	168.5	-53.9	0	0	0	0	109.2	R130	T27-R130 PolarHBondContact OG1-O 2.91Å; T27-R130 VanDerWaalsContact OG1-O 3.09Å
28	S	91.6	Very high	91.2	Very high	31 Å²	31	49.5 Å²	49.5	22%	0.217	26%	0.26	C	S	.	.			trans	-54.9	157	173	177.4	0	0	0	0	111.7	D30 G31 V33	S28-D30 WeakPolarHBondContact CB-OD1 3.39Å; S28-D30 PolarHBondContact O-N 3.21Å; S28-D30 PolarHBondContact OG-OD1 3.42Å; S28-G31 PolarHBondContact O-N 3.47Å; S28-V33 VanDerWaalsContact CB-O 3.29Å; S28-V33 WeakPolarHBondContact CB-O 3.4Å; S28-V33 PolarHBondContact N-O 3.06Å
29	K	86.9	Confident	91.5	Very high	217 Å²	217	49.5 Å²	49.5	94%	0.943	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.6	-178	-67.8	-177	-179.4	176.4	0	113.1	G31	K29-G31 VanDerWaalsContact C-N 3.3Å
30	D	88.3	Confident	91.6	Very high	109 Å²	109	45.6 Å²	45.6	58%	0.583	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.8	174.8	59.8	-4.4	0	0	0	113.4	S28 S32	S28-D30 WeakPolarHBondContact CB-OD1 3.39Å; S28-D30 PolarHBondContact O-N 3.21Å; S28-D30 PolarHBondContact OG-OD1 3.42Å; D30-S32 VanDerWaalsContact C-N 3.26Å; D30-S32 PolarHBondContact O-N 3.31Å; D30-S32 PolarHBondContact OD1-N 3.3Å
31	G	87	Confident	91.5	Very high	28 Å²	28	44.6 Å²	44.6	29%	0.289	24%	0.24	S	C	.	.	S	Bend	trans	80.6	0.2	-178.6	0	0	0	0	0	114.4	S28 K29 S134 Q135	S28-G31 PolarHBondContact O-N 3.47Å; K29-G31 VanDerWaalsContact C-N 3.3Å; G31-S134 CarbonylContact O-C 3.57Å; G31-S134 VanDerWaalsContact O-CA 3.29Å; G31-S134 WeakPolarHBondContact O-CA 3.47Å; G31-Q135 PolarHBondContact O-N 2.88Å
32	S	88.1	Confident	91.3	Very high	34 Å²	34	41.5 Å²	41.5	24%	0.238	22%	0.223	C	C	.	.	S	Bend	trans	-80.8	-47.5	-167.7	-62.6	0	0	0	0	113	D30 Q135 L136	D30-S32 VanDerWaalsContact C-N 3.26Å; D30-S32 PolarHBondContact O-N 3.31Å; D30-S32 PolarHBondContact OD1-N 3.3Å; S32-Q135 WeakPolarHBondContact O-CB 3.4Å; S32-Q135 PolarHBondContact O-N 3.07Å; S32-Q135 VanDerWaalsContact O-N 3.12Å; S32-L136 PolarHBondContact O-N 3.19Å
33	V	92.4	Very high	90.6	Very high	39 Å²	39	44.2 Å²	44.2	24%	0.236	23%	0.232	C	C	.	.	S	Bend	trans	-131.8	154.3	-169.5	-65.4	0	0	0	0	112.8	S28 V35 V93	S28-V33 VanDerWaalsContact CB-O 3.29Å; S28-V33 WeakPolarHBondContact CB-O 3.4Å; S28-V33 PolarHBondContact N-O 3.06Å; V33-V35 HydrophobicContact CG2-CG1 4.26Å; V33-V93 HydrophobicContact CB-CG1 4.09Å; V33-V93 HydrophobicContact CG2-CB 4.48Å; V33-V93 HydrophobicContact CG2-CG1 3.9Å; V33-V93 HydrophobicContact CG2-CG2 3.89Å
34	P	93	Very high	89.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	139.6	168.4	13.9	-5.1	0	0	0	110.8	V94 P96 I131 L136	P34-V94 HydrophobicContact CB-CG2 4.29Å; P34-V94 WeakPolarHBondContact CG-O 3.41Å; P34-V94 PolarHBondContact O-N 3.37Å; P34-V94 VanDerWaalsContact O-N 3.08Å; P34-P96 HydrophobicContact CG-CG 4.13Å; P34-I131 HydrophobicContact CB-CB 4.34Å; P34-I131 HydrophobicContact CB-CG2 3.98Å; P34-L136 HydrophobicContact CG-CD2 4.43Å
35	V	93.7	Very high	87.8	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145	178.5	-61.1	0	0	0	0	110.9	Q26 V33 A91 V92 V93	Q26-V35 HydrophobicContact CG-CG2 3.79Å; Q26-V35 PolarHBondContact N-O 3.19Å; Q26-V35 PolarHBondContact O-N 3.13Å; Q26-V35 VanDerWaalsContact O-O 3.08Å; V33-V35 HydrophobicContact CG2-CG1 4.26Å; V35-A91 HydrophobicContact CB-CB 4.49Å; V35-A91 HydrophobicContact CG2-CB 4.44Å; V35-V92 CarbonylContact C-O 3.55Å; V35-V92 WeakPolarHBondContact CA-O 3.44Å; V35-V92 WeakPolarHBondContact CB-O 3.4Å; V35-V93 HydrophobicContact CG1-CG2 4.32Å
36	V	93.4	Very high	85.7	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.9	163.1	-179.4	0	0	0	0	107.6	V23 V25 V38 A91 V92 V94 I102 T121 V123	V23-V36 HydrophobicContact CG1-CG1 3.73Å; V25-V36 HydrophobicContact CG2-CG2 4.27Å; V36-V38 HydrophobicContact CG1-CG2 3.69Å; V36-A91 WeakPolarHBondContact O-CA 3.33Å; V36-V92 PolarHBondContact N-O 3.44Å; V36-V92 PolarHBondContact O-N 2.89Å; V36-V94 HydrophobicContact CB-CG1 4.24Å; V36-V94 HydrophobicContact CG2-CB 4.28Å; V36-V94 HydrophobicContact CG2-CG1 3.6Å; V36-V94 HydrophobicContact CG2-CG2 3.83Å; V36-I102 HydrophobicContact CG1-CD1 4.07Å; V36-T121 HydrophobicContact CG1-CG2 4.11Å; V36-T121 HydrophobicContact CG2-CG2 4.1Å; V36-V123 HydrophobicContact CG2-CG2 4.35Å
37	N	93.2	Very high	84.3	Confident	34 Å²	34	45 Å²	45	18%	0.182	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	112.7	170.2	-170.2	26.8	0	0	0	109	V23 Q24	V23-N37 WeakPolarHBondContact CA-O 3.24Å; Q24-N37 PolarHBondContact N-O 3.05Å; Q24-N37 PolarHBondContact O-N 2.81Å
38	V	94	Very high	83	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.3	-178.5	-174.5	0	0	0	0	108.3	W20 V23 V36 W40 I56 S89 L90 I102	W20-V38 HydrophobicContact CE3-CG1 4.47Å; W20-V38 HydrophobicContact CH2-CG1 4.3Å; W20-V38 HydrophobicContact CZ3-CG1 3.56Å; V23-V38 HydrophobicContact CG2-CG1 4.27Å; V36-V38 HydrophobicContact CG1-CG2 3.69Å; V38-W40 HydrophobicContact CG1-CE3 4.15Å; V38-W40 HydrophobicContact CG1-CZ3 4.33Å; V38-I56 HydrophobicContact CB-CD1 4.04Å; V38-I56 HydrophobicContact CG1-CD1 3.8Å; V38-I56 HydrophobicContact CG2-CD1 4.34Å; V38-S89 CarbonylContact O-C 3.53Å; V38-S89 VanDerWaalsContact O-CA 3.24Å; V38-S89 WeakPolarHBondContact O-CA 3.48Å; V38-L90 PolarHBondContact N-O 3.07Å; V38-L90 PolarHBondContact O-N 3.23Å; V38-I102 HydrophobicContact CG1-CG2 4.06Å; V38-I102 HydrophobicContact CG2-CD1 3.82Å; V38-I102 HydrophobicContact CG2-CG2 4.31Å
39	S	93.1	Very high	81.8	Confident	7 Å²	7	53.8 Å²	53.8	5%	0.049	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.6	177	-49	0	0	0	0	111.7	D21 S22 F88 S89	D21-S39 WeakPolarHBondContact CB-O 3.47Å; D21-S39 PolarHBondContact N-O 2.99Å; S22-S39 PolarHBondContact N-O 2.97Å; S22-S39 VanDerWaalsContact N-O 3.16Å; S22-S39 PolarHBondContact O-N 3.49Å; S22-S39 WeakPolarHBondContact OG-CB 3.18Å; S22-S39 PolarHBondContact OG-OG 2.91Å; S39-F88 CarbonylContact C-O 3.46Å; S39-F88 WeakPolarHBondContact CA-O 3.49Å; S39-S89 WeakPolarHBondContact OG-CB 3.11Å
40	W	92.3	Very high	81.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	154.2	177.2	66.3	96.5	0	0	0	111.2	P18 E19 V38 S54 I56 I71 T87 F88 L90 V104 I117	P18-W40 HydrophobicContact CB-CG 4.48Å; E19-W40 CarbonylContact O-C 3.55Å; E19-W40 WeakPolarHBondContact O-CA 3.18Å; E19-W40 WeakPolarHBondContact O-CB 3.42Å; V38-W40 HydrophobicContact CG1-CE3 4.15Å; V38-W40 HydrophobicContact CG1-CZ3 4.33Å; W40-S54 PolarHBondContact NE1-OG 3.41Å; W40-I56 HydrophobicContact CH2-CB 4.26Å; W40-I56 HydrophobicContact CH2-CD1 4.27Å; W40-I56 HydrophobicContact CH2-CG2 4.18Å; W40-I56 HydrophobicContact CZ3-CD1 3.81Å; W40-I71 HydrophobicContact CH2-CD1 3.87Å; W40-I71 HydrophobicContact CZ2-CD1 3.9Å; W40-T87 CarbonylContact O-C 3.57Å; W40-T87 WeakPolarHBondContact O-CA 3.29Å; W40-F88 HydrophobicContact CD2-CB 4.02Å; W40-F88 HydrophobicContact CH2-CB 4.23Å; W40-F88 HydrophobicContact CZ2-CB 3.7Å; W40-F88 HydrophobicContact CZ2-CG 4.42Å; W40-F88 PolarHBondContact N-O 2.61Å; W40-F88 AromaticContact NE1-CD2 3.73Å; W40-F88 PolarHBondContact O-N 3.22Å; W40-L90 HydrophobicContact CH2-CB 4.42Å; W40-L90 HydrophobicContact CZ3-CB 4.29Å; W40-V104 HydrophobicContact CD2-CG1 3.9Å; W40-V104 HydrophobicContact CD2-CG2 4.46Å; W40-V104 HydrophobicContact CE3-CG2 4.35Å; W40-V104 HydrophobicContact CG-CG1 4Å; W40-V104 HydrophobicContact CZ2-CG1 4.33Å; W40-I117 HydrophobicContact CB-CD1 4.31Å
41	K	89.1	Confident	80.7	Confident	49 Å²	49	39.4 Å²	39.4	21%	0.213	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	153.2	-176.4	-80.2	168.9	172.5	162.1	0	111.7	E19 D21 W86 T87	E19-K41 PolarHBondContact N-O 3.27Å; E19-K41 PolarHBondContact O-N 3.4Å; D21-K41 HydrophobicContact CB-CD 4.11Å; D21-K41 HydrophobicContact CB-CG 4.15Å; D21-K41 WeakPolarHBondContact OD1-CE 3.28Å; D21-K41 IonicContact OD1-NZ 2.65Å; D21-K41 PolarHBondContact OD1-NZ 3.5Å; K41-W86 WeakPolarHBondContact CA-O 3.5Å; K41-T87 WeakPolarHBondContact CE-OG1 3.42Å; K41-T87 HydrophobicContact CG-CG2 4.06Å; K41-T87 VanDerWaalsContact CG-OG1 3.31Å; K41-T87 WeakPolarHBondContact CG-OG1 3.43Å
42	L	86	Confident	80.6	Confident	6 Å²	6	42 Å²	42	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	135.2	164.4	-63	-177.6	0	0	0	110.1	L48 I51 F73 V75 R85 W86 F88 H106	L42-L48 HydrophobicContact CB-CD2 4.48Å; L42-L48 HydrophobicContact CD1-CD2 3.87Å; L42-I51 HydrophobicContact CD2-CD1 4.19Å; L42-F73 HydrophobicContact CD1-CE2 4.28Å; L42-F73 HydrophobicContact CD2-CE2 4.19Å; L42-F73 HydrophobicContact CD2-CZ 4.02Å; L42-V75 HydrophobicContact CD1-CB 4.37Å; L42-V75 HydrophobicContact CD1-CG1 4.29Å; L42-V75 HydrophobicContact CD1-CG2 4.06Å; L42-R85 PolarHBondContact O-NH1 2.96Å; L42-W86 HydrophobicContact CB-CB 4.41Å; L42-W86 HydrophobicContact CD1-CB 3.7Å; L42-W86 HydrophobicContact CD1-CG 4.12Å; L42-W86 HydrophobicContact CG-CB 3.98Å; L42-W86 PolarHBondContact N-O 2.83Å; L42-W86 VanDerWaalsContact N-O 3.07Å; L42-F88 HydrophobicContact CD1-CE2 4.1Å; L42-F88 HydrophobicContact CD1-CZ 4.45Å; L42-F88 HydrophobicContact CD2-CE2 3.81Å; L42-F88 HydrophobicContact CG-CE2 3.76Å; L42-H106 WeakPolarHBondContact CD2-CE1 3.07Å
43	Q	76	Confident	80.6	Confident	88 Å²	88	40.3 Å²	40.3	41%	0.411	22%	0.221	S	C	.	.			trans	-72.4	149.6	171.8	-162.5	168.3	19.3	0	0	110.3	A16 D45	A16-Q43 HydrophobicContact CB-CB 4.22Å; Q43-D45 VanDerWaalsContact C-N 3.28Å; Q43-D45 PolarHBondContact O-N 3.36Å
44	S	63.9	Low	80.4	Confident	76 Å²	76	38.5 Å²	38.5	53%	0.531	21%	0.209	S	C	.	.	S	Bend	trans	-87.6	37.7	-169.9	60.7	0	0	0	0	114.2
45	D	63.8	Low	80.3	Confident	64 Å²	64	40.1 Å²	40.1	34%	0.342	22%	0.217	S	C	.	.	S	Bend	trans	-116.9	174.1	-170.2	68.1	-18.3	0	0	0	113.7	A16 Q43 G47	A16-D45 WeakPolarHBondContact CB-OD1 3.38Å; A16-D45 WeakPolarHBondContact CB-OD2 3.35Å; Q43-D45 VanDerWaalsContact C-N 3.28Å; Q43-D45 PolarHBondContact O-N 3.36Å; D45-G47 PolarHBondContact O-N 2.83Å
46	A	49.8	Very low	80.3	Confident	111 Å²	111	39.9 Å²	39.9	92%	0.917	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	8	-165.6	0	0	0	0	0	115.5
47	G	63.6	Low	80.2	Confident	7 Å²	7	41.7 Å²	41.7	7%	0.072	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	0.7	-175.3	0	0	0	0	0	116.1	D45 R49 A50	D45-G47 PolarHBondContact O-N 2.83Å; G47-R49 VanDerWaalsContact C-N 3.33Å; G47-R49 PolarHBondContact O-N 2.9Å; G47-A50 WeakPolarHBondContact O-CB 3.46Å; G47-A50 PolarHBondContact O-N 3.12Å
48	L	63.3	Low	80.1	Confident	22 Å²	22	40.7 Å²	40.7	12%	0.115	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-54.8	-40.5	-172.8	-82.5	149.9	0	0	0	115	L42 A50 I51 V75 M78	L42-L48 HydrophobicContact CB-CD2 4.48Å; L42-L48 HydrophobicContact CD1-CD2 3.87Å; L48-A50 PolarHBondContact O-N 3.04Å; L48-I51 PolarHBondContact O-N 3.3Å; L48-V75 HydrophobicContact CD2-CG1 4.21Å; L48-M78 HydrophobicContact CD1-CB 4.39Å; L48-M78 HydrophobicContact CD1-CG 3.4Å; L48-M78 VanDerWaalsContact CD1-CG 3.4Å; L48-M78 HydrophobicContact CD1-SD 3.43Å; L48-M78 WeakPolarHBondContact CD1-SD 3.17Å
49	R	66.1	Low	80	Confident	229 Å²	229	46.4 Å²	46.4	86%	0.864	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-69.3	-14.4	-179.6	-66.4	-174.4	-177.9	-178.2	1	113.7	G47	G47-R49 VanDerWaalsContact C-N 3.33Å; G47-R49 PolarHBondContact O-N 2.9Å
50	A	72.5	Confident	80	Confident	17 Å²	17	46.7 Å²	46.7	14%	0.14	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-94.7	-7.7	177.8	0	0	0	0	0	112.8	V13 G47 L48 P108	V13-A50 HydrophobicContact CB-CB 4.19Å; V13-A50 HydrophobicContact CG1-CB 3.74Å; G47-A50 WeakPolarHBondContact O-CB 3.46Å; G47-A50 PolarHBondContact O-N 3.12Å; L48-A50 PolarHBondContact O-N 3.04Å; A50-P108 WeakPolarHBondContact O-CD 3.07Å
51	I	81.2	Confident	80	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.041	26%	0.261	C	S	.	.			trans	-83.3	118.5	179.6	-58.8	170.6	0	0	0	109.3	P15 L42 L48 F73 H106	P15-I51 HydrophobicContact CB-CG1 3.55Å; L42-I51 HydrophobicContact CD2-CD1 4.19Å; L48-I51 PolarHBondContact O-N 3.3Å; I51-F73 HydrophobicContact CG2-CE2 3.52Å; I51-F73 HydrophobicContact CG2-CZ 3.78Å; I51-H106 HydrophobicContact CG2-CB 4.12Å
52	N	83.7	Confident	79.8	Confident	81 Å²	81	52.4 Å²	52.4	43%	0.433	28%	0.276	S	S	.	.			trans	-97	-10.2	175.9	-68.8	-18	0	0	0	112.7	F73 F107	N52-F73 CarbonylContact C-O 3.39Å; N52-F73 PolarHBondContact O-N 3.08Å; N52-F107 HydrophobicContact CB-CD2 3.6Å; N52-F107 HydrophobicContact CB-CE2 3.55Å; N52-F107 PolarHBondContact N-O 2.93Å; N52-F107 VanDerWaalsContact O-CE2 3.22Å; N52-F107 WeakPolarHBondContact O-CE2 3.4Å; N52-F107 WeakPolarHBondContact O-CZ 3.31Å
53	G	88.3	Confident	79.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.3	-170.5	175.5	0	0	0	0	0	113.4	I71 H106 F107	G53-I71 CarbonylContact C-O 3.6Å; G53-I71 WeakPolarHBondContact CA-O 3.37Å; G53-H106 VanDerWaalsContact O-CA 3.28Å; G53-H106 WeakPolarHBondContact O-CA 3.49Å; G53-F107 WeakPolarHBondContact O-CD1 3.38Å; G53-F107 PolarHBondContact O-N 2.94Å
54	S	89.4	Confident	80.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.7	177	-50.9	0	0	0	0	111.2	W40 I71 F73 F105 H106 F107	W40-S54 PolarHBondContact NE1-OG 3.41Å; S54-I71 PolarHBondContact N-O 3.06Å; S54-I71 PolarHBondContact O-N 3.15Å; S54-F73 VanDerWaalsContact OG-CE1 3.26Å; S54-F73 WeakPolarHBondContact OG-CE1 3.2Å; S54-F73 WeakPolarHBondContact OG-CZ 3.07Å; S54-F105 CarbonylContact C-O 3.55Å; S54-F105 VanDerWaalsContact CA-O 3.27Å; S54-F105 WeakPolarHBondContact CA-O 3.5Å; S54-H106 PolarHBondContact OG-CD2 3.19Å; S54-H106 PolarHBondContact OG-NE2 3.13Å; S54-F107 VanDerWaalsContact N-CE1 3.33Å
55	E	90.8	Very high	81.4	Confident	34 Å²	34	58.8 Å²	58.8	16%	0.159	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.4	164.6	-178.1	177.2	118.4	0	0	109.1	E69 Q70 V104 F105	E55-E69 WeakPolarHBondContact CA-O 3.33Å; E55-Q70 HydrophobicContact CB-CG 4.16Å; E55-Q70 HydrophobicContact CG-CG 3.93Å; E55-Q70 PolarHBondContact OE2-NE2 2.7Å; E55-V104 WeakPolarHBondContact O-CA 3.46Å; E55-F105 HydrophobicContact CB-CD1 4.24Å; E55-F105 HydrophobicContact CB-CD2 4.4Å; E55-F105 HydrophobicContact CB-CE1 3.71Å; E55-F105 HydrophobicContact CB-CE2 3.91Å; E55-F105 HydrophobicContact CB-CZ 3.55Å; E55-F105 HydrophobicContact CG-CE1 3.85Å; E55-F105 HydrophobicContact CG-CZ 3.89Å; E55-F105 PolarHBondContact N-O 2.86Å; E55-F105 PolarHBondContact O-N 3.07Å; E55-F105 VanDerWaalsContact OE1-CE1 3.23Å; E55-F105 WeakPolarHBondContact OE1-CE1 3.46Å; E55-F105 VanDerWaalsContact OE1-CZ 3.29Å; E55-F105 WeakPolarHBondContact OE1-CZ 3.32Å
56	I	91.9	Very high	82.5	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.3	171.1	178.7	166	0	0	0	109.2	V38 W40 I58 C68 E69 L90 I102 T103 V104	V38-I56 HydrophobicContact CB-CD1 4.04Å; V38-I56 HydrophobicContact CG1-CD1 3.8Å; V38-I56 HydrophobicContact CG2-CD1 4.34Å; W40-I56 HydrophobicContact CH2-CB 4.26Å; W40-I56 HydrophobicContact CH2-CD1 4.27Å; W40-I56 HydrophobicContact CH2-CG2 4.18Å; W40-I56 HydrophobicContact CZ3-CD1 3.81Å; I56-I58 HydrophobicContact CD1-CD1 4.07Å; I56-I58 HydrophobicContact CD1-CG1 4.22Å; I56-I58 HydrophobicContact CG1-CD1 4.29Å; I56-I58 HydrophobicContact CG1-CG1 4.06Å; I56-C68 CarbonylContact O-C 3.57Å; I56-C68 VanDerWaalsContact O-CA 3.29Å; I56-C68 WeakPolarHBondContact O-CA 3.33Å; I56-E69 HydrophobicContact CG2-CB 3.87Å; I56-E69 PolarHBondContact N-O 2.74Å; I56-E69 PolarHBondContact O-N 3.18Å; I56-L90 HydrophobicContact CD1-CD2 4.45Å; I56-L90 HydrophobicContact CG2-CD2 3.62Å; I56-I102 HydrophobicContact CD1-CG2 4.05Å; I56-I102 HydrophobicContact CG1-CG2 4.29Å; I56-T103 CarbonylContact C-O 3.35Å; I56-T103 WeakPolarHBondContact CA-O 3.46Å; I56-V104 HydrophobicContact CB-CG2 4.02Å; I56-V104 HydrophobicContact CD1-CG2 3.92Å; I56-V104 HydrophobicContact CG1-CG2 3.79Å
57	N	91.4	Very high	84.3	Confident	40 Å²	40	57.3 Å²	57.3	21%	0.214	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.1	174.6	176.4	-2.5	0	0	0	109.5	V67 T103	N57-V67 WeakPolarHBondContact CA-O 3.27Å; N57-T103 WeakPolarHBondContact CB-OG1 3.37Å; N57-T103 PolarHBondContact N-O 2.77Å; N57-T103 PolarHBondContact O-N 3.27Å; N57-T103 PolarHBondContact O-OG1 3.42Å
58	I	92.4	Very high	85.5	Confident	14 Å²	14	59.5 Å²	59.5	7%	0.072	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.5	178.9	-60.7	162.2	0	0	0	107.8	I56 S66 V67 V92 Y100 N101 I102	I56-I58 HydrophobicContact CD1-CD1 4.07Å; I56-I58 HydrophobicContact CD1-CG1 4.22Å; I56-I58 HydrophobicContact CG1-CD1 4.29Å; I56-I58 HydrophobicContact CG1-CG1 4.06Å; I58-S66 CarbonylContact O-C 3.53Å; I58-S66 VanDerWaalsContact O-CA 3.28Å; I58-S66 WeakPolarHBondContact O-CA 3.46Å; I58-V67 PolarHBondContact N-O 3.37Å; I58-V67 PolarHBondContact O-N 2.93Å; I58-V92 HydrophobicContact CD1-CB 3.75Å; I58-V92 HydrophobicContact CD1-CG1 3.91Å; I58-V92 HydrophobicContact CD1-CG2 3.41Å; I58-V92 VanDerWaalsContact CD1-CG2 3.41Å; I58-Y100 HydrophobicContact CG2-CD1 3.96Å; I58-Y100 HydrophobicContact CG2-CG 4.43Å; I58-N101 WeakPolarHBondContact CA-O 3.35Å; I58-I102 HydrophobicContact CG1-CG1 4.2Å; I58-I102 HydrophobicContact CG1-CG2 4.04Å; I58-I102 HydrophobicContact CG2-CG1 4.34Å
59	R	92.2	Very high	86.7	Confident	120 Å²	120	63.4 Å²	63.4	45%	0.453	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.5	-177.6	-175.7	179	179.8	177.8	-2.4	110.6	N64 Q65 Y100 N101	R59-N64 PolarHBondContact NE-OD1 3.33Å; R59-N64 PolarHBondContact NH2-OD1 3.01Å; R59-Q65 CarbonylContact C-O 3.56Å; R59-Q65 WeakPolarHBondContact CA-O 3.42Å; R59-Y100 CarbonylContact O-C 3.54Å; R59-Y100 WeakPolarHBondContact O-CA 3.49Å; R59-N101 PolarHBondContact N-O 2.86Å; R59-N101 PolarHBondContact O-N 3.32Å
60	D	92.3	Very high	87.9	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.064	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	124	169.5	-178.1	-10.4	0	0	0	109.2	T62 T63 N64 Q65 H98 Y100	D60-T62 VanDerWaalsContact C-N 3.31Å; D60-T62 VanDerWaalsContact CG-OG1 3.31Å; D60-T62 WeakPolarHBondContact OD1-CB 3.19Å; D60-T62 PolarHBondContact OD1-N 3.21Å; D60-T62 PolarHBondContact OD1-OG1 2.95Å; D60-T62 PolarHBondContact OD2-OG1 3.45Å; D60-T63 VanDerWaalsContact CB-OG1 3.31Å; D60-T63 WeakPolarHBondContact CB-OG1 3.49Å; D60-T63 WeakPolarHBondContact OD2-CG2 3.44Å; D60-T63 PolarHBondContact OD2-OG1 2.84Å; D60-N64 WeakPolarHBondContact O-CA 3.25Å; D60-N64 PolarHBondContact O-N 3.18Å; D60-Q65 PolarHBondContact N-O 2.86Å; D60-H98 IonicContact OD1-ND1 2.77Å; D60-H98 IonicContact OD2-CE1 2.68Å; D60-H98 IonicContact OD2-ND1 3.09Å; D60-H98 PolarHBondContact OD2-ND1 3.37Å; D60-Y100 HydrophobicContact CB-CD1 3.98Å; D60-Y100 HydrophobicContact CB-CE1 3.71Å
61	E	91.9	Very high	88.6	Confident	84 Å²	84	58.1 Å²	58.1	39%	0.393	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.7	179.4	-67.5	-170.6	160.8	0	0	113.2	T99 N101 Q120	E61-T99 WeakPolarHBondContact CB-O 3.4Å; E61-T99 PolarHBondContact N-O 3.31Å; E61-T99 WeakPolarHBondContact OE2-CG2 3.34Å; E61-N101 VanDerWaalsContact OE1-CG 3.24Å; E61-N101 PolarHBondContact OE1-ND2 2.71Å; E61-N101 PolarHBondContact OE1-OD1 3.41Å; E61-Q120 VanDerWaalsContact CD-NE2 3.27Å; E61-Q120 PolarHBondContact OE1-NE2 3.43Å; E61-Q120 PolarHBondContact OE2-NE2 3.43Å; E61-Q120 VanDerWaalsContact OE2-NE2 3.15Å
62	T	86.4	Confident	89	Confident	85 Å²	85	63.7 Å²	63.7	52%	0.521	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-48.1	-175.4	65.4	0	0	0	0	111.5	D60 H98	D60-T62 VanDerWaalsContact C-N 3.31Å; D60-T62 VanDerWaalsContact CG-OG1 3.31Å; D60-T62 WeakPolarHBondContact OD1-CB 3.19Å; D60-T62 PolarHBondContact OD1-N 3.21Å; D60-T62 PolarHBondContact OD1-OG1 2.95Å; D60-T62 PolarHBondContact OD2-OG1 3.45Å; T62-H98 PolarHBondContact OG1-CE1 3.28Å; T62-H98 VanDerWaalsContact OG1-CE1 3.29Å; T62-H98 PolarHBondContact OG1-ND1 3.2Å; T62-H98 VanDerWaalsContact OG1-ND1 3.09Å
63	T	87.3	Confident	89	Confident	66 Å²	66	61 Å²	61	41%	0.405	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-12.6	-178.5	63.3	0	0	0	0	112.9	D60 Q65	D60-T63 VanDerWaalsContact CB-OG1 3.31Å; D60-T63 WeakPolarHBondContact CB-OG1 3.49Å; D60-T63 WeakPolarHBondContact OD2-CG2 3.44Å; D60-T63 PolarHBondContact OD2-OG1 2.84Å; T63-Q65 PolarHBondContact O-N 3.37Å; T63-Q65 VanDerWaalsContact O-N 3.15Å; T63-Q65 PolarHBondContact OG1-N 3Å
64	N	87.6	Confident	88.6	Confident	99 Å²	99	65.2 Å²	65.2	53%	0.529	34%	0.343	S	S	.	.			trans	60.6	14.7	-174.7	-153.3	26.2	0	0	0	114.1	R59 D60	R59-N64 PolarHBondContact NE-OD1 3.33Å; R59-N64 PolarHBondContact NH2-OD1 3.01Å; D60-N64 WeakPolarHBondContact O-CA 3.25Å; D60-N64 PolarHBondContact O-N 3.18Å
65	Q	83.9	Confident	88	Confident	140 Å²	140	66 Å²	66	65%	0.654	35%	0.347	S	S	*	.			trans	-80.1	142.3	176.4	-66	-177.1	-7.4	0	0	110	R59 D60 T63	R59-Q65 CarbonylContact C-O 3.56Å; R59-Q65 WeakPolarHBondContact CA-O 3.42Å; D60-Q65 PolarHBondContact N-O 2.86Å; T63-Q65 PolarHBondContact O-N 3.37Å; T63-Q65 VanDerWaalsContact O-N 3.15Å; T63-Q65 PolarHBondContact OG1-N 3Å
66	S	87.6	Confident	87.2	Confident	61 Å²	61	73.4 Å²	73.4	43%	0.427	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.1	179.6	60.2	0	0	0	0	111.4	I58	I58-S66 CarbonylContact O-C 3.53Å; I58-S66 VanDerWaalsContact O-CA 3.28Å; I58-S66 WeakPolarHBondContact O-CA 3.46Å
67	V	87	Confident	86.3	Confident	83 Å²	83	79.1 Å²	79.1	50%	0.503	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.1	171.4	-179.8	0	0	0	0	108.1	N57 I58	N57-V67 WeakPolarHBondContact CA-O 3.27Å; I58-V67 PolarHBondContact N-O 3.37Å; I58-V67 PolarHBondContact O-N 2.93Å
68	C	89	Confident	85.2	Confident	52 Å²	52	81.8 Å²	81.8	35%	0.351	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.5	179.5	-61.2	0	0	0	0	109	I56	I56-C68 CarbonylContact O-C 3.57Å; I56-C68 VanDerWaalsContact O-CA 3.29Å; I56-C68 WeakPolarHBondContact O-CA 3.33Å
69	E	88.4	Confident	84.4	Confident	104 Å²	104	86 Å²	86	49%	0.486	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.5	175.4	-74.4	-66.7	172.5	0	0	109.9	E55 I56 L90	E55-E69 WeakPolarHBondContact CA-O 3.33Å; I56-E69 HydrophobicContact CG2-CB 3.87Å; I56-E69 PolarHBondContact N-O 2.74Å; I56-E69 PolarHBondContact O-N 3.18Å; E69-L90 HydrophobicContact CB-CD2 4.09Å; E69-L90 HydrophobicContact CG-CD2 4.22Å
70	Q	90.2	Very high	83.5	Confident	83 Å²	83	82 Å²	82	39%	0.388	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.7	-179.4	-70.2	-177.3	-19.2	0	0	109.9	E55	E55-Q70 HydrophobicContact CB-CG 4.16Å; E55-Q70 HydrophobicContact CG-CG 3.93Å; E55-Q70 PolarHBondContact OE2-NE2 2.7Å
71	I	88	Confident	82.7	Confident	52 Å²	52	87.6 Å²	87.6	27%	0.267	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	108.9	178.8	-51.1	-179.6	0	0	0	107.8	W40 G53 S54 F73	W40-I71 HydrophobicContact CH2-CD1 3.87Å; W40-I71 HydrophobicContact CZ2-CD1 3.9Å; G53-I71 CarbonylContact C-O 3.6Å; G53-I71 WeakPolarHBondContact CA-O 3.37Å; S54-I71 PolarHBondContact N-O 3.06Å; S54-I71 PolarHBondContact O-N 3.15Å; I71-F73 HydrophobicContact CG2-CD1 4.08Å
72	H	88.9	Confident	82.1	Confident	125 Å²	125	90.8 Å²	90.8	58%	0.579	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.3	174.4	-69.4	-89.4	0	0	0	110.4	F107	H72-F107 AromaticContact CE1-CE2 3.53Å; H72-F107 AromaticContact CE1-CZ 3.37Å; H72-F107 WeakPolarHBondContact CE1-CZ 3.45Å; H72-F107 AromaticContact CG-CZ 3.85Å; H72-F107 AromaticContact ND1-CE2 3.41Å; H72-F107 WeakPolarHBondContact ND1-CE2 3.15Å; H72-F107 AromaticContact ND1-CZ 3.28Å; H72-F107 VanDerWaalsContact ND1-CZ 3.28Å; H72-F107 WeakPolarHBondContact ND1-CZ 3.42Å; H72-F107 AromaticContact NE2-CZ 3.98Å
73	F	84.8	Confident	81.6	Confident	26 Å²	26	94.3 Å²	94.3	11%	0.114	49%	0.488	C	S	.	.			trans	-148.1	155.4	176.2	56.3	-102.1	0	0	0	111.5	L42 I51 N52 S54 I71 V75 F88	L42-F73 HydrophobicContact CD1-CE2 4.28Å; L42-F73 HydrophobicContact CD2-CE2 4.19Å; L42-F73 HydrophobicContact CD2-CZ 4.02Å; I51-F73 HydrophobicContact CG2-CE2 3.52Å; I51-F73 HydrophobicContact CG2-CZ 3.78Å; N52-F73 CarbonylContact C-O 3.39Å; N52-F73 PolarHBondContact O-N 3.08Å; S54-F73 VanDerWaalsContact OG-CE1 3.26Å; S54-F73 WeakPolarHBondContact OG-CE1 3.2Å; S54-F73 WeakPolarHBondContact OG-CZ 3.07Å; I71-F73 HydrophobicContact CG2-CD1 4.08Å; F73-V75 HydrophobicContact CD2-CG2 3.75Å; F73-V75 HydrophobicContact CE2-CG2 4.24Å; F73-F88 HydrophobicContact CD1-CD1 4.31Å; F73-F88 AromaticContact CD1-CE1 3.44Å; F73-F88 HydrophobicContact CD1-CE1 3.44Å; F73-F88 VanDerWaalsContact CD1-CE1 3.44Å; F73-F88 HydrophobicContact CD1-CE2 4.34Å; F73-F88 AromaticContact CD1-CZ 3.47Å; F73-F88 HydrophobicContact CD1-CZ 3.47Å; F73-F88 VanDerWaalsContact CD1-CZ 3.47Å; F73-F88 AromaticContact CD2-CZ 3.9Å; F73-F88 HydrophobicContact CD2-CZ 3.9Å; F73-F88 HydrophobicContact CE1-CD1 4.27Å; F73-F88 HydrophobicContact CE1-CD2 4.37Å; F73-F88 AromaticContact CE1-CE1 3.6Å; F73-F88 HydrophobicContact CE1-CE1 3.6Å; F73-F88 AromaticContact CE1-CE2 3.71Å; F73-F88 HydrophobicContact CE1-CE2 3.71Å; F73-F88 AromaticContact CE1-CZ 3.29Å; F73-F88 HydrophobicContact CE1-CZ 3.29Å; F73-F88 HydrophobicContact CE2-CE2 4.18Å; F73-F88 AromaticContact CE2-CZ 3.74Å; F73-F88 HydrophobicContact CE2-CZ 3.74Å; F73-F88 AromaticContact CG-CE1 3.95Å; F73-F88 HydrophobicContact CG-CE1 3.95Å; F73-F88 AromaticContact CG-CZ 3.77Å; F73-F88 HydrophobicContact CG-CZ 3.77Å; F73-F88 HydrophobicContact CZ-CE1 4.23Å; F73-F88 AromaticContact CZ-CE2 3.62Å; F73-F88 HydrophobicContact CZ-CE2 3.62Å; F73-F88 AromaticContact CZ-CZ 3.44Å; F73-F88 HydrophobicContact CZ-CZ 3.44Å; F73-F88 VanDerWaalsContact CZ-CZ 3.44Å
74	S	80.4	Confident	81.3	Confident	87 Å²	87	96.7 Å²	96.7	61%	0.608	50%	0.495	S	S	*	.			trans	-124.4	116	171.3	-61	0	0	0	0	108.9
75	V	76.6	Confident	81.1	Confident	16 Å²	16	96.3 Å²	96.3	10%	0.097	49%	0.486	C	S	.	.			trans	-112.8	122.3	-178.1	174.4	0	0	0	0	108.7	L42 L48 F73 D77 W86	L42-V75 HydrophobicContact CD1-CB 4.37Å; L42-V75 HydrophobicContact CD1-CG1 4.29Å; L42-V75 HydrophobicContact CD1-CG2 4.06Å; L48-V75 HydrophobicContact CD2-CG1 4.21Å; F73-V75 HydrophobicContact CD2-CG2 3.75Å; F73-V75 HydrophobicContact CE2-CG2 4.24Å; V75-D77 WeakPolarHBondContact CG1-O 3.35Å; V75-W86 HydrophobicContact CG1-CG 4.3Å; V75-W86 VanDerWaalsContact CG1-NE1 3.32Å; V75-W86 HydrophobicContact CG2-CD2 4.36Å; V75-W86 HydrophobicContact CG2-CG 4.43Å
76	Y	72.8	Confident	81.2	Confident	191 Å²	191	93.9 Å²	93.9	75%	0.749	47%	0.471	S	S	*	.			trans	-98.5	-28.6	-178.9	-60.8	-77.1	0	0	0	112.8
77	D	72.7	Confident	81.3	Confident	122 Å²	122	93.8 Å²	93.8	65%	0.652	47%	0.468	S	S	*	.	S	Bend	trans	-122.8	144.7	-179	-66.8	-50.2	0	0	0	111.1	V75 E79 W86	V75-D77 WeakPolarHBondContact CG1-O 3.35Å; D77-E79 PolarHBondContact O-N 3.13Å; D77-W86 PolarHBondContact O-NE1 2.86Å
78	M	68.8	Low	81.4	Confident	95 Å²	95	91.3 Å²	91.3	47%	0.468	45%	0.45	S	S	.	.	S	Bend	trans	-64.3	-28.4	-177.7	-68.3	-124.1	-78.5	0	0	113.6	L48	L48-M78 HydrophobicContact CD1-CB 4.39Å; L48-M78 HydrophobicContact CD1-CG 3.4Å; L48-M78 VanDerWaalsContact CD1-CG 3.4Å; L48-M78 HydrophobicContact CD1-SD 3.43Å; L48-M78 WeakPolarHBondContact CD1-SD 3.17Å
79	E	75.3	Confident	81.5	Confident	104 Å²	104	92.5 Å²	92.5	49%	0.486	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-111.7	144.1	-174.9	-68.6	175.6	-173.5	0	0	110	D77 Q83 E84	D77-E79 PolarHBondContact O-N 3.13Å; E79-Q83 WeakPolarHBondContact OE2-CA 3.4Å; E79-Q83 WeakPolarHBondContact OE2-CB 3.36Å; E79-E84 CarbonylContact C-O 3.43Å; E79-E84 WeakPolarHBondContact CA-O 3.2Å
80	N	73.6	Confident	81.6	Confident	36 Å²	36	89.7 Å²	89.7	19%	0.193	45%	0.447	C	S	.	.			trans	-73.8	179.4	170	68.1	18.8	0	0	0	110.4	K82 Q83 E84 W86	N80-K82 PolarHBondContact O-N 3.15Å; N80-K82 WeakPolarHBondContact OD1-CA 3.44Å; N80-K82 VanDerWaalsContact OD1-CB 3.31Å; N80-K82 WeakPolarHBondContact OD1-CB 3.15Å; N80-K82 PolarHBondContact OD1-N 3.33Å; N80-Q83 PolarHBondContact O-N 2.89Å; N80-Q83 PolarHBondContact OD1-N 3.4Å; N80-E84 VanDerWaalsContact CG-O 3.27Å; N80-E84 PolarHBondContact N-O 3.31Å; N80-E84 PolarHBondContact OD1-N 3.16Å; N80-E84 PolarHBondContact OD1-O 3.17Å; N80-W86 HydrophobicContact CB-CD2 4.25Å; N80-W86 HydrophobicContact CB-CE3 4.28Å; N80-W86 HydrophobicContact CB-CH2 4.14Å; N80-W86 HydrophobicContact CB-CZ2 4.09Å; N80-W86 HydrophobicContact CB-CZ3 4.23Å
81	S	76.4	Confident	81.6	Confident	129 Å²	129	88.6 Å²	88.6	90%	0.902	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-8.2	178	55.3	0	0	0	0	115.2
82	K	77.8	Confident	81.7	Confident	150 Å²	150	87.3 Å²	87.3	65%	0.652	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	10.2	177.7	-56.4	-179.3	178.4	178.4	0	113.5	N80 E84	N80-K82 PolarHBondContact O-N 3.15Å; N80-K82 WeakPolarHBondContact OD1-CA 3.44Å; N80-K82 VanDerWaalsContact OD1-CB 3.31Å; N80-K82 WeakPolarHBondContact OD1-CB 3.15Å; N80-K82 PolarHBondContact OD1-N 3.33Å; K82-E84 HydrophobicContact CB-CG 4.31Å; K82-E84 PolarHBondContact O-N 2.85Å
83	Q	77.4	Confident	81.9	Confident	160 Å²	160	85.8 Å²	85.8	75%	0.748	45%	0.447	S	S	*	.	S	Bend	trans	62.7	27.5	-174.7	-60.3	177.9	-23.5	0	0	113.5	E79 N80	E79-Q83 WeakPolarHBondContact OE2-CA 3.4Å; E79-Q83 WeakPolarHBondContact OE2-CB 3.36Å; N80-Q83 PolarHBondContact O-N 2.89Å; N80-Q83 PolarHBondContact OD1-N 3.4Å
84	E	80.1	Confident	82.2	Confident	115 Å²	115	84.8 Å²	84.8	54%	0.537	44%	0.442	S	S	.	.			trans	-111.9	151.6	177.9	-62.7	174.7	156.6	0	0	110.9	E79 N80 K82	E79-E84 CarbonylContact C-O 3.43Å; E79-E84 WeakPolarHBondContact CA-O 3.2Å; N80-E84 VanDerWaalsContact CG-O 3.27Å; N80-E84 PolarHBondContact N-O 3.31Å; N80-E84 PolarHBondContact OD1-N 3.16Å; N80-E84 PolarHBondContact OD1-O 3.17Å; K82-E84 HydrophobicContact CB-CG 4.31Å; K82-E84 PolarHBondContact O-N 2.85Å
85	R	83.1	Confident	82.7	Confident	91 Å²	91	85.1 Å²	85.1	34%	0.343	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-61.3	138.4	173.9	-65.8	-165.7	-72.1	150.1	-11.4	111	E19 L42 T87	E19-R85 IonicContact OE2-CZ 3.55Å; E19-R85 IonicContact OE2-NH1 2.71Å; E19-R85 PolarHBondContact OE2-NH1 3.03Å; E19-R85 IonicContact OE2-NH2 3.44Å; E19-R85 PolarHBondContact OE2-NH2 3.44Å; L42-R85 PolarHBondContact O-NH1 2.96Å; R85-T87 PolarHBondContact O-N 3.38Å; R85-T87 PolarHBondContact O-OG1 3.06Å
86	W	86.1	Confident	83.4	Confident	89 Å²	89	85.2 Å²	85.2	34%	0.337	44%	0.436	S	S	.	.			trans	-54.7	123.9	174.3	-68.7	96.6	0	0	0	111.1	K41 L42 V75 D77 N80 F88	K41-W86 WeakPolarHBondContact CA-O 3.5Å; L42-W86 HydrophobicContact CB-CB 4.41Å; L42-W86 HydrophobicContact CD1-CB 3.7Å; L42-W86 HydrophobicContact CD1-CG 4.12Å; L42-W86 HydrophobicContact CG-CB 3.98Å; L42-W86 PolarHBondContact N-O 2.83Å; L42-W86 VanDerWaalsContact N-O 3.07Å; V75-W86 HydrophobicContact CG1-CG 4.3Å; V75-W86 VanDerWaalsContact CG1-NE1 3.32Å; V75-W86 HydrophobicContact CG2-CD2 4.36Å; V75-W86 HydrophobicContact CG2-CG 4.43Å; D77-W86 PolarHBondContact O-NE1 2.86Å; N80-W86 HydrophobicContact CB-CD2 4.25Å; N80-W86 HydrophobicContact CB-CE3 4.28Å; N80-W86 HydrophobicContact CB-CH2 4.14Å; N80-W86 HydrophobicContact CB-CZ2 4.09Å; N80-W86 HydrophobicContact CB-CZ3 4.23Å; W86-F88 HydrophobicContact CB-CE2 4.45Å
87	T	89.1	Confident	84.3	Confident	60 Å²	60	83.3 Å²	83.3	37%	0.368	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126	179.2	-53	0	0	0	0	108	D21 W40 K41 R85	D21-T87 HydrophobicContact CB-CG2 4.37Å; W40-T87 CarbonylContact O-C 3.57Å; W40-T87 WeakPolarHBondContact O-CA 3.29Å; K41-T87 WeakPolarHBondContact CE-OG1 3.42Å; K41-T87 HydrophobicContact CG-CG2 4.06Å; K41-T87 VanDerWaalsContact CG-OG1 3.31Å; K41-T87 WeakPolarHBondContact CG-OG1 3.43Å; R85-T87 PolarHBondContact O-N 3.38Å; R85-T87 PolarHBondContact O-OG1 3.06Å
88	F	90.3	Very high	85.2	Confident	30 Å²	30	79.9 Å²	79.9	13%	0.132	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.5	174	-59.3	-83.1	0	0	0	108.5	S39 W40 L42 F73 W86	S39-F88 CarbonylContact C-O 3.46Å; S39-F88 WeakPolarHBondContact CA-O 3.49Å; W40-F88 HydrophobicContact CD2-CB 4.02Å; W40-F88 HydrophobicContact CH2-CB 4.23Å; W40-F88 HydrophobicContact CZ2-CB 3.7Å; W40-F88 HydrophobicContact CZ2-CG 4.42Å; W40-F88 PolarHBondContact N-O 2.61Å; W40-F88 AromaticContact NE1-CD2 3.73Å; W40-F88 PolarHBondContact O-N 3.22Å; L42-F88 HydrophobicContact CD1-CE2 4.1Å; L42-F88 HydrophobicContact CD1-CZ 4.45Å; L42-F88 HydrophobicContact CD2-CE2 3.81Å; L42-F88 HydrophobicContact CG-CE2 3.76Å; F73-F88 HydrophobicContact CD1-CD1 4.31Å; F73-F88 AromaticContact CD1-CE1 3.44Å; F73-F88 HydrophobicContact CD1-CE1 3.44Å; F73-F88 VanDerWaalsContact CD1-CE1 3.44Å; F73-F88 HydrophobicContact CD1-CE2 4.34Å; F73-F88 AromaticContact CD1-CZ 3.47Å; F73-F88 HydrophobicContact CD1-CZ 3.47Å; F73-F88 VanDerWaalsContact CD1-CZ 3.47Å; F73-F88 AromaticContact CD2-CZ 3.9Å; F73-F88 HydrophobicContact CD2-CZ 3.9Å; F73-F88 HydrophobicContact CE1-CD1 4.27Å; F73-F88 HydrophobicContact CE1-CD2 4.37Å; F73-F88 AromaticContact CE1-CE1 3.6Å; F73-F88 HydrophobicContact CE1-CE1 3.6Å; F73-F88 AromaticContact CE1-CE2 3.71Å; F73-F88 HydrophobicContact CE1-CE2 3.71Å; F73-F88 AromaticContact CE1-CZ 3.29Å; F73-F88 HydrophobicContact CE1-CZ 3.29Å; F73-F88 HydrophobicContact CE2-CE2 4.18Å; F73-F88 AromaticContact CE2-CZ 3.74Å; F73-F88 HydrophobicContact CE2-CZ 3.74Å; F73-F88 AromaticContact CG-CE1 3.95Å; F73-F88 HydrophobicContact CG-CE1 3.95Å; F73-F88 AromaticContact CG-CZ 3.77Å; F73-F88 HydrophobicContact CG-CZ 3.77Å; F73-F88 HydrophobicContact CZ-CE1 4.23Å; F73-F88 AromaticContact CZ-CE2 3.62Å; F73-F88 HydrophobicContact CZ-CE2 3.62Å; F73-F88 AromaticContact CZ-CZ 3.44Å; F73-F88 HydrophobicContact CZ-CZ 3.44Å; F73-F88 VanDerWaalsContact CZ-CZ 3.44Å; W86-F88 HydrophobicContact CB-CE2 4.45Å
89	S	90.7	Very high	86.5	Confident	78 Å²	78	76.6 Å²	76.6	55%	0.545	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.1	174.9	54.4	0	0	0	0	111.2	V38 S39	V38-S89 CarbonylContact O-C 3.53Å; V38-S89 VanDerWaalsContact O-CA 3.24Å; V38-S89 WeakPolarHBondContact O-CA 3.48Å; S39-S89 WeakPolarHBondContact OG-CB 3.11Å
90	L	90.9	Very high	87.4	Confident	44 Å²	44	72.5 Å²	72.5	23%	0.23	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	128.9	176.7	-174.4	68.9	0	0	0	109.4	V38 W40 I56 E69 V92	V38-L90 PolarHBondContact N-O 3.07Å; V38-L90 PolarHBondContact O-N 3.23Å; W40-L90 HydrophobicContact CH2-CB 4.42Å; W40-L90 HydrophobicContact CZ3-CB 4.29Å; I56-L90 HydrophobicContact CD1-CD2 4.45Å; I56-L90 HydrophobicContact CG2-CD2 3.62Å; E69-L90 HydrophobicContact CB-CD2 4.09Å; E69-L90 HydrophobicContact CG-CD2 4.22Å; L90-V92 HydrophobicContact CD2-CG2 3.72Å; L90-V92 HydrophobicContact CG-CG2 3.79Å
91	A	90.8	Very high	88.4	Confident	61 Å²	61	73.5 Å²	73.5	50%	0.504	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.8	173	0	0	0	0	0	109.6	V35 V36	V35-A91 HydrophobicContact CB-CB 4.49Å; V35-A91 HydrophobicContact CG2-CB 4.44Å; V36-A91 WeakPolarHBondContact O-CA 3.33Å
92	V	90.2	Very high	89.2	Confident	24 Å²	24	67.4 Å²	67.4	15%	0.145	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.6	-177	-178	0	0	0	0	110.1	V35 V36 I58 L90	V35-V92 CarbonylContact C-O 3.55Å; V35-V92 WeakPolarHBondContact CA-O 3.44Å; V35-V92 WeakPolarHBondContact CB-O 3.4Å; V36-V92 PolarHBondContact N-O 3.44Å; V36-V92 PolarHBondContact O-N 2.89Å; I58-V92 HydrophobicContact CD1-CB 3.75Å; I58-V92 HydrophobicContact CD1-CG1 3.91Å; I58-V92 HydrophobicContact CD1-CG2 3.41Å; I58-V92 VanDerWaalsContact CD1-CG2 3.41Å; L90-V92 HydrophobicContact CD2-CG2 3.72Å; L90-V92 HydrophobicContact CG-CG2 3.79Å
93	V	91.8	Very high	89.9	Confident	94 Å²	94	61.5 Å²	61.5	57%	0.57	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.8	178.3	-177.9	0	0	0	0	109.7	V33 V35	V33-V93 HydrophobicContact CB-CG1 4.09Å; V33-V93 HydrophobicContact CG2-CB 4.48Å; V33-V93 HydrophobicContact CG2-CG1 3.9Å; V33-V93 HydrophobicContact CG2-CG2 3.89Å; V35-V93 HydrophobicContact CG1-CG2 4.32Å
94	V	91.5	Very high	90.6	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.024	28%	0.283	C	S	.	.			trans	-137.3	154.3	-177	-68.3	0	0	0	0	111.6	P34 V36 Y100 V123	P34-V94 HydrophobicContact CB-CG2 4.29Å; P34-V94 WeakPolarHBondContact CG-O 3.41Å; P34-V94 PolarHBondContact O-N 3.37Å; P34-V94 VanDerWaalsContact O-N 3.08Å; V36-V94 HydrophobicContact CB-CG1 4.24Å; V36-V94 HydrophobicContact CG2-CB 4.28Å; V36-V94 HydrophobicContact CG2-CG1 3.6Å; V36-V94 HydrophobicContact CG2-CG2 3.83Å; V94-Y100 HydrophobicContact CB-CD2 4.47Å; V94-Y100 HydrophobicContact CB-CE1 4.48Å; V94-Y100 HydrophobicContact CB-CE2 3.75Å; V94-Y100 HydrophobicContact CG1-CD1 4.4Å; V94-Y100 HydrophobicContact CG1-CD2 4.16Å; V94-Y100 HydrophobicContact CG1-CE1 4.08Å; V94-Y100 HydrophobicContact CG1-CE2 3.85Å; V94-Y100 HydrophobicContact CG1-CG 4.43Å; V94-V123 HydrophobicContact CB-CG2 4.01Å; V94-V123 HydrophobicContact CG2-CG1 4.18Å; V94-V123 HydrophobicContact CG2-CG2 3.7Å
95	E	90.9	Very high	91	Very high	94 Å²	94	49 Å²	49	44%	0.439	26%	0.26	S	S	.	.			trans	-86.5	140.6	172.5	-62.9	-61.9	162.2	0	0	112.1	H98 Y100 V123	E95-H98 HydrophobicContact CB-CB 4.48Å; E95-Y100 PolarHBondContact N-OH 2.8Å; E95-V123 WeakPolarHBondContact O-CB 3.46Å
96	P	91.5	Very high	91.2	Very high	19 Å²	19	44.7 Å²	44.7	12%	0.123	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	151.3	171.3	-21.7	33.2	0	0	0	113	P34 H98 I131 L136	P34-P96 HydrophobicContact CG-CG 4.13Å; P96-H98 PolarHBondContact O-CD2 3.1Å; P96-H98 PolarHBondContact O-N 3.01Å; P96-H98 VanDerWaalsContact O-N 3.08Å; P96-I131 HydrophobicContact CB-CD1 4.39Å; P96-I131 HydrophobicContact CG-CD1 4.46Å; P96-L136 HydrophobicContact CG-CD2 3.74Å
97	E	91.1	Very high	91.1	Very high	151 Å²	151	41.2 Å²	41.2	71%	0.706	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	8.6	178.6	-51.9	-172.2	169.4	0	0	115.5	V123	E97-V123 VanDerWaalsContact CA-O 3.32Å; E97-V123 WeakPolarHBondContact CA-O 3.5Å; E97-V123 PolarHBondContact N-O 3.31Å
98	H	92.6	Very high	90.6	Very high	49 Å²	49	39.4 Å²	39.4	23%	0.227	22%	0.22	C	C	.	.			trans	-97.2	153.2	174.2	-73.1	-145.9	0	0	0	111.4	D60 T62 E95 P96 Y100 V123	D60-H98 IonicContact OD1-ND1 2.77Å; D60-H98 IonicContact OD2-CE1 2.68Å; D60-H98 IonicContact OD2-ND1 3.09Å; D60-H98 PolarHBondContact OD2-ND1 3.37Å; T62-H98 PolarHBondContact OG1-CE1 3.28Å; T62-H98 VanDerWaalsContact OG1-CE1 3.29Å; T62-H98 PolarHBondContact OG1-ND1 3.2Å; T62-H98 VanDerWaalsContact OG1-ND1 3.09Å; E95-H98 HydrophobicContact CB-CB 4.48Å; P96-H98 PolarHBondContact O-CD2 3.1Å; P96-H98 PolarHBondContact O-N 3.01Å; P96-H98 VanDerWaalsContact O-N 3.08Å; H98-Y100 HydrophobicContact CB-CD2 4.4Å; H98-Y100 HydrophobicContact CB-CE2 3.51Å; H98-V123 PolarHBondContact O-N 3.41Å
99	T	94.7	Very high	89.8	Confident	27 Å²	27	40.6 Å²	40.6	17%	0.166	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.4	175.6	-57.9	0	0	0	0	109.9	E61 Q120 T122	E61-T99 WeakPolarHBondContact CB-O 3.4Å; E61-T99 PolarHBondContact N-O 3.31Å; E61-T99 WeakPolarHBondContact OE2-CG2 3.34Å; T99-Q120 HydrophobicContact CG2-CG 3.49Å; T99-Q120 VanDerWaalsContact CG2-CG 3.49Å; T99-Q120 VanDerWaalsContact CG2-NE2 3.32Å; T99-T122 WeakPolarHBondContact CG2-OG1 3.39Å; T99-T122 PolarHBondContact OG1-OG1 3.11Å
100	Y	94.2	Very high	88.9	Confident	17 Å²	17	37.9 Å²	37.9	7%	0.067	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.9	-174.7	-62.8	-92.7	0	0	0	111.1	I58 R59 D60 V94 E95 H98 Q120 T121 V123	I58-Y100 HydrophobicContact CG2-CD1 3.96Å; I58-Y100 HydrophobicContact CG2-CG 4.43Å; R59-Y100 CarbonylContact O-C 3.54Å; R59-Y100 WeakPolarHBondContact O-CA 3.49Å; D60-Y100 HydrophobicContact CB-CD1 3.98Å; D60-Y100 HydrophobicContact CB-CE1 3.71Å; V94-Y100 HydrophobicContact CB-CD2 4.47Å; V94-Y100 HydrophobicContact CB-CE1 4.48Å; V94-Y100 HydrophobicContact CB-CE2 3.75Å; V94-Y100 HydrophobicContact CG1-CD1 4.4Å; V94-Y100 HydrophobicContact CG1-CD2 4.16Å; V94-Y100 HydrophobicContact CG1-CE1 4.08Å; V94-Y100 HydrophobicContact CG1-CE2 3.85Å; V94-Y100 HydrophobicContact CG1-CG 4.43Å; E95-Y100 PolarHBondContact N-OH 2.8Å; H98-Y100 HydrophobicContact CB-CD2 4.4Å; H98-Y100 HydrophobicContact CB-CE2 3.51Å; Y100-Q120 WeakPolarHBondContact O-CA 3.34Å; Y100-T121 PolarHBondContact N-O 3.15Å; Y100-T121 PolarHBondContact O-N 3.45Å; Y100-V123 HydrophobicContact CD2-CG2 3.79Å; Y100-V123 HydrophobicContact CE2-CG2 3.58Å
101	N	94.6	Very high	87.6	Confident	57 Å²	57	41 Å²	41	31%	0.305	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.7	168.8	-80	-34.1	0	0	0	110	I58 R59 E61 Q120	I58-N101 WeakPolarHBondContact CA-O 3.35Å; R59-N101 PolarHBondContact N-O 2.86Å; R59-N101 PolarHBondContact O-N 3.32Å; E61-N101 VanDerWaalsContact OE1-CG 3.24Å; E61-N101 PolarHBondContact OE1-ND2 2.71Å; E61-N101 PolarHBondContact OE1-OD1 3.41Å; N101-Q120 WeakPolarHBondContact OD1-CG 3.36Å
102	I	94.5	Very high	86	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126	-175.9	-52.1	171.4	0	0	0	107.7	W20 V23 V36 V38 I56 I58 K118 T119 T121	W20-I102 HydrophobicContact CH2-CB 4.36Å; W20-I102 HydrophobicContact CH2-CG2 3.77Å; W20-I102 HydrophobicContact CZ3-CG2 4.44Å; V23-I102 HydrophobicContact CG1-CD1 3.88Å; V36-I102 HydrophobicContact CG1-CD1 4.07Å; V38-I102 HydrophobicContact CG1-CG2 4.06Å; V38-I102 HydrophobicContact CG2-CD1 3.82Å; V38-I102 HydrophobicContact CG2-CG2 4.31Å; I56-I102 HydrophobicContact CD1-CG2 4.05Å; I56-I102 HydrophobicContact CG1-CG2 4.29Å; I58-I102 HydrophobicContact CG1-CG1 4.2Å; I58-I102 HydrophobicContact CG1-CG2 4.04Å; I58-I102 HydrophobicContact CG2-CG1 4.34Å; I102-K118 CarbonylContact O-C 3.53Å; I102-K118 WeakPolarHBondContact O-CA 3.44Å; I102-T119 HydrophobicContact CB-CG2 3.99Å; I102-T119 HydrophobicContact CD1-CG2 4.37Å; I102-T119 PolarHBondContact N-O 2.97Å; I102-T119 PolarHBondContact O-N 3.47Å; I102-T121 HydrophobicContact CD1-CG2 3.72Å
103	T	92.3	Very high	84.6	Confident	27 Å²	27	56 Å²	56	17%	0.166	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.3	178.8	63.9	0	0	0	0	109.9	I56 N57 I117 K118	I56-T103 CarbonylContact C-O 3.35Å; I56-T103 WeakPolarHBondContact CA-O 3.46Å; N57-T103 WeakPolarHBondContact CB-OG1 3.37Å; N57-T103 PolarHBondContact N-O 2.77Å; N57-T103 PolarHBondContact O-N 3.27Å; N57-T103 PolarHBondContact O-OG1 3.42Å; T103-I117 VanDerWaalsContact CA-O 3.3Å; T103-I117 WeakPolarHBondContact CA-O 3.36Å; T103-K118 HydrophobicContact CG2-CB 4.27Å; T103-K118 HydrophobicContact CG2-CD 4.32Å; T103-K118 HydrophobicContact CG2-CG 3.81Å
104	V	92	Very high	83.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.7	179.2	-176.4	0	0	0	0	109.2	P18 W20 W40 E55 I56 I117	P18-V104 HydrophobicContact CB-CG1 4.17Å; P18-V104 HydrophobicContact CG-CB 4.32Å; P18-V104 HydrophobicContact CG-CG1 4.04Å; P18-V104 WeakPolarHBondContact CG-O 3.21Å; W20-V104 HydrophobicContact CH2-CB 4.43Å; W20-V104 HydrophobicContact CH2-CG2 3.7Å; W20-V104 HydrophobicContact CZ3-CG2 3.96Å; W40-V104 HydrophobicContact CD2-CG1 3.9Å; W40-V104 HydrophobicContact CD2-CG2 4.46Å; W40-V104 HydrophobicContact CE3-CG2 4.35Å; W40-V104 HydrophobicContact CG-CG1 4Å; W40-V104 HydrophobicContact CZ2-CG1 4.33Å; E55-V104 WeakPolarHBondContact O-CA 3.46Å; I56-V104 HydrophobicContact CB-CG2 4.02Å; I56-V104 HydrophobicContact CD1-CG2 3.92Å; I56-V104 HydrophobicContact CG1-CG2 3.79Å; V104-I117 HydrophobicContact CB-CD1 4.09Å; V104-I117 HydrophobicContact CB-CG1 3.78Å; V104-I117 PolarHBondContact N-O 2.9Å; V104-I117 PolarHBondContact O-N 3.39Å
105	F	88.3	Confident	82.8	Confident	13 Å²	13	58.5 Å²	58.5	6%	0.057	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158.3	174.4	69.5	-95.5	0	0	0	112.1	S54 E55 Y115 R116	S54-F105 CarbonylContact C-O 3.55Å; S54-F105 VanDerWaalsContact CA-O 3.27Å; S54-F105 WeakPolarHBondContact CA-O 3.5Å; E55-F105 HydrophobicContact CB-CD1 4.24Å; E55-F105 HydrophobicContact CB-CD2 4.4Å; E55-F105 HydrophobicContact CB-CE1 3.71Å; E55-F105 HydrophobicContact CB-CE2 3.91Å; E55-F105 HydrophobicContact CB-CZ 3.55Å; E55-F105 HydrophobicContact CG-CE1 3.85Å; E55-F105 HydrophobicContact CG-CZ 3.89Å; E55-F105 PolarHBondContact N-O 2.86Å; E55-F105 PolarHBondContact O-N 3.07Å; E55-F105 VanDerWaalsContact OE1-CE1 3.23Å; E55-F105 WeakPolarHBondContact OE1-CE1 3.46Å; E55-F105 VanDerWaalsContact OE1-CZ 3.29Å; E55-F105 WeakPolarHBondContact OE1-CZ 3.32Å; F105-Y115 HydrophobicContact CB-CD2 4.48Å; F105-Y115 HydrophobicContact CB-CE2 3.62Å; F105-Y115 HydrophobicContact CD2-CE2 4.32Å; F105-Y115 WeakPolarHBondContact CD2-OH 3.29Å; F105-Y115 HydrophobicContact CG-CE2 4.39Å; F105-Y115 WeakPolarHBondContact CG-OH 3.21Å; F105-R116 HydrophobicContact CB-CB 4.36Å; F105-R116 HydrophobicContact CB-CG 3.93Å; F105-R116 HydrophobicContact CG-CG 4.5Å
106	H	86.9	Confident	82.6	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	143.1	172.8	-64.4	154.3	0	0	0	110.9	A16 P18 L42 I51 G53 S54 Y115	A16-H106 PolarHBondContact O-ND1 3.38Å; P18-H106 VanDerWaalsContact CA-CE1 3.47Å; P18-H106 WeakPolarHBondContact CA-CE1 3.48Å; L42-H106 WeakPolarHBondContact CD2-CE1 3.07Å; I51-H106 HydrophobicContact CG2-CB 4.12Å; G53-H106 VanDerWaalsContact O-CA 3.28Å; G53-H106 WeakPolarHBondContact O-CA 3.49Å; S54-H106 PolarHBondContact OG-CD2 3.19Å; S54-H106 PolarHBondContact OG-NE2 3.13Å; H106-Y115 WeakPolarHBondContact O-CE2 3.4Å
107	F	84	Confident	82.5	Confident	15 Å²	15	58.5 Å²	58.5	7%	0.066	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	144.7	173.3	55.8	-95	0	0	0	111.3	N52 G53 S54 H72	N52-F107 HydrophobicContact CB-CD2 3.6Å; N52-F107 HydrophobicContact CB-CE2 3.55Å; N52-F107 PolarHBondContact N-O 2.93Å; N52-F107 VanDerWaalsContact O-CE2 3.22Å; N52-F107 WeakPolarHBondContact O-CE2 3.4Å; N52-F107 WeakPolarHBondContact O-CZ 3.31Å; G53-F107 WeakPolarHBondContact O-CD1 3.38Å; G53-F107 PolarHBondContact O-N 2.94Å; S54-F107 VanDerWaalsContact N-CE1 3.33Å; H72-F107 AromaticContact CE1-CE2 3.53Å; H72-F107 AromaticContact CE1-CZ 3.37Å; H72-F107 WeakPolarHBondContact CE1-CZ 3.45Å; H72-F107 AromaticContact CG-CZ 3.85Å; H72-F107 AromaticContact ND1-CE2 3.41Å; H72-F107 WeakPolarHBondContact ND1-CE2 3.15Å; H72-F107 AromaticContact ND1-CZ 3.28Å; H72-F107 VanDerWaalsContact ND1-CZ 3.28Å; H72-F107 WeakPolarHBondContact ND1-CZ 3.42Å; H72-F107 AromaticContact NE2-CZ 3.98Å
108	P	78	Confident	82.5	Confident	23 Å²	23	56.6 Å²	56.6	15%	0.149	26%	0.262	C	S	.	.	S	Bend	cis	-74.1	145.1	6.5	32	-35.2	0	0	0	114.1	P15 A50	P15-P108 WeakPolarHBondContact CD-O 3.48Å; P15-P108 HydrophobicContact CG-CG 4.48Å; P15-P108 WeakPolarHBondContact CG-O 3.5Å; A50-P108 WeakPolarHBondContact O-CD 3.07Å
109	E	74.6	Confident	82.6	Confident	55 Å²	55	56.6 Å²	56.6	26%	0.257	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-70.1	125.5	178.8	173.3	148.9	-142.6	0	0	111	Y115 R116	E109-Y115 WeakPolarHBondContact CA-OH 3.43Å; E109-Y115 HydrophobicContact CB-CE1 4.37Å; E109-Y115 WeakPolarHBondContact CB-OH 3.19Å; E109-Y115 HydrophobicContact CG-CE1 3.55Å; E109-Y115 WeakPolarHBondContact CG-OH 3.4Å; E109-Y115 VanDerWaalsContact OE1-CE1 3.25Å; E109-Y115 WeakPolarHBondContact OE1-CE1 3.42Å; E109-Y115 PolarHBondContact OE1-OH 2.86Å; E109-R116 IonicContact OE1-CZ 3.15Å; E109-R116 IonicContact OE1-NE 3.78Å; E109-R116 PolarHBondContact OE1-NE 2.9Å; E109-R116 IonicContact OE1-NH2 2.68Å; E109-R116 PolarHBondContact OE1-NH2 2.87Å; E109-R116 IonicContact OE2-CZ 3.89Å; E109-R116 IonicContact OE2-NH2 2.87Å; E109-R116 PolarHBondContact OE2-NH2 2.95Å
110	P	70.9	Confident	82.6	Confident	21 Å²	21	60.4 Å²	60.4	14%	0.136	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-72.9	141.8	175.3	29.9	-35.7	0	0	0	112.4	T14 F112 Y115	T14-P110 HydrophobicContact CG2-CB 3.65Å; P110-F112 PolarHBondContact O-N 3.34Å; P110-Y115 VanDerWaalsContact CD-CZ 3.46Å; P110-Y115 HydrophobicContact CG-CD1 3.56Å; P110-Y115 HydrophobicContact CG-CD2 3.99Å; P110-Y115 HydrophobicContact CG-CE1 3.92Å; P110-Y115 HydrophobicContact CG-CE2 4.25Å; P110-Y115 HydrophobicContact CG-CG 3.63Å
111	D	63.4	Low	82.5	Confident	109 Å²	109	60.7 Å²	60.7	58%	0.583	29%	0.285	S	S	*	.	S	Bend	trans	-67.1	-16.6	-177.6	-68.6	-36.2	0	0	0	114.6
112	F	57.4	Low	82.5	Confident	172 Å²	172	61.8 Å²	61.8	75%	0.754	29%	0.294	S	S	*	.	S	Bend	trans	-142.9	92.3	-172	-61.1	-79.7	0	0	0	113.2	P110	P110-F112 PolarHBondContact O-N 3.34Å
113	R	60.4	Low	82.5	Confident	229 Å²	229	61.8 Å²	61.8	86%	0.864	29%	0.294	S	S	*	.	S	Bend	trans	154.8	157	153.5	-94.2	178.1	-113.9	-138.6	0.3	110.6	Y115	R113-Y115 VanDerWaalsContact C-N 3.25Å; R113-Y115 PolarHBondContact O-N 2.76Å
114	D	67.1	Low	82.6	Confident	122 Å²	122	61.5 Å²	61.5	65%	0.652	29%	0.293	S	S	*	.			trans	-75.4	82.3	164.3	-160.1	12	0	0	0	108.7	K118	D114-K118 IonicContact OD1-NZ 2.92Å; D114-K118 PolarHBondContact OD1-NZ 3.5Å; D114-K118 IonicContact OD2-NZ 3.24Å; D114-K118 PolarHBondContact OD2-NZ 3.47Å
115	Y	80.1	Confident	82.5	Confident	27 Å²	27	62.5 Å²	62.5	11%	0.106	30%	0.303	C	S	.	.			trans	-92.3	-3.8	179.4	79.2	-71.2	0	0	0	112.5	F105 H106 E109 P110 R113	F105-Y115 HydrophobicContact CB-CD2 4.48Å; F105-Y115 HydrophobicContact CB-CE2 3.62Å; F105-Y115 HydrophobicContact CD2-CE2 4.32Å; F105-Y115 WeakPolarHBondContact CD2-OH 3.29Å; F105-Y115 HydrophobicContact CG-CE2 4.39Å; F105-Y115 WeakPolarHBondContact CG-OH 3.21Å; H106-Y115 WeakPolarHBondContact O-CE2 3.4Å; E109-Y115 WeakPolarHBondContact CA-OH 3.43Å; E109-Y115 HydrophobicContact CB-CE1 4.37Å; E109-Y115 WeakPolarHBondContact CB-OH 3.19Å; E109-Y115 HydrophobicContact CG-CE1 3.55Å; E109-Y115 WeakPolarHBondContact CG-OH 3.4Å; E109-Y115 VanDerWaalsContact OE1-CE1 3.25Å; E109-Y115 WeakPolarHBondContact OE1-CE1 3.42Å; E109-Y115 PolarHBondContact OE1-OH 2.86Å; P110-Y115 VanDerWaalsContact CD-CZ 3.46Å; P110-Y115 HydrophobicContact CG-CD1 3.56Å; P110-Y115 HydrophobicContact CG-CD2 3.99Å; P110-Y115 HydrophobicContact CG-CE1 3.92Å; P110-Y115 HydrophobicContact CG-CE2 4.25Å; P110-Y115 HydrophobicContact CG-CG 3.63Å; R113-Y115 VanDerWaalsContact C-N 3.25Å; R113-Y115 PolarHBondContact O-N 2.76Å
116	R	86	Confident	82.6	Confident	85 Å²	85	62.8 Å²	62.8	32%	0.321	31%	0.306	S	S	.	.			trans	-79.7	130.1	178.6	-51.9	-174	177.6	-164.8	-2.6	108.7	F105 E109	F105-R116 HydrophobicContact CB-CB 4.36Å; F105-R116 HydrophobicContact CB-CG 3.93Å; F105-R116 HydrophobicContact CG-CG 4.5Å; E109-R116 IonicContact OE1-CZ 3.15Å; E109-R116 IonicContact OE1-NE 3.78Å; E109-R116 PolarHBondContact OE1-NE 2.9Å; E109-R116 IonicContact OE1-NH2 2.68Å; E109-R116 PolarHBondContact OE1-NH2 2.87Å; E109-R116 IonicContact OE2-CZ 3.89Å; E109-R116 IonicContact OE2-NH2 2.87Å; E109-R116 PolarHBondContact OE2-NH2 2.95Å
117	I	89.4	Confident	82.8	Confident	28 Å²	28	69.2 Å²	69.2	14%	0.144	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	136.6	169.3	64.4	-176.9	0	0	0	109.2	P18 W20 W40 T103 V104	P18-I117 HydrophobicContact CB-CD1 3.68Å; P18-I117 HydrophobicContact CB-CG1 4.29Å; P18-I117 HydrophobicContact CG-CB 4.46Å; P18-I117 HydrophobicContact CG-CD1 3.68Å; P18-I117 HydrophobicContact CG-CG1 3.7Å; P18-I117 HydrophobicContact CG-CG2 4.18Å; P18-I117 WeakPolarHBondContact O-CG2 3.42Å; W20-I117 HydrophobicContact CD2-CD1 3.54Å; W20-I117 HydrophobicContact CD2-CG1 4.12Å; W20-I117 HydrophobicContact CE3-CD1 3.78Å; W20-I117 HydrophobicContact CG-CD1 3.99Å; W20-I117 HydrophobicContact CH2-CD1 4.08Å; W20-I117 HydrophobicContact CH2-CG1 4.02Å; W20-I117 HydrophobicContact CZ2-CB 4.05Å; W20-I117 HydrophobicContact CZ2-CD1 3.89Å; W20-I117 HydrophobicContact CZ2-CG1 3.57Å; W20-I117 HydrophobicContact CZ3-CD1 4.03Å; W20-I117 HydrophobicContact CZ3-CG1 4.47Å; W40-I117 HydrophobicContact CB-CD1 4.31Å; T103-I117 VanDerWaalsContact CA-O 3.3Å; T103-I117 WeakPolarHBondContact CA-O 3.36Å; V104-I117 HydrophobicContact CB-CD1 4.09Å; V104-I117 HydrophobicContact CB-CG1 3.78Å; V104-I117 PolarHBondContact N-O 2.9Å; V104-I117 PolarHBondContact O-N 3.39Å
118	K	92.2	Very high	83.2	Confident	111 Å²	111	70.3 Å²	70.3	48%	0.483	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.9	-178.3	-52.9	-179.3	-174.3	132	0	108.5	I102 T103 D114	I102-K118 CarbonylContact O-C 3.53Å; I102-K118 WeakPolarHBondContact O-CA 3.44Å; T103-K118 HydrophobicContact CG2-CB 4.27Å; T103-K118 HydrophobicContact CG2-CD 4.32Å; T103-K118 HydrophobicContact CG2-CG 3.81Å; D114-K118 IonicContact OD1-NZ 2.92Å; D114-K118 PolarHBondContact OD1-NZ 3.5Å; D114-K118 IonicContact OD2-NZ 3.24Å; D114-K118 PolarHBondContact OD2-NZ 3.47Å
119	T	93.5	Very high	83.8	Confident	49 Å²	49	73.8 Å²	73.8	30%	0.301	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	160.1	172.3	-167.6	0	0	0	0	109.5	W20 V23 I102	W20-T119 HydrophobicContact CD2-CG2 4.41Å; W20-T119 HydrophobicContact CH2-CG2 3.69Å; W20-T119 HydrophobicContact CZ2-CG2 3.35Å; W20-T119 HydrophobicContact CZ3-CG2 4.33Å; V23-T119 HydrophobicContact CG2-CG2 4.01Å; I102-T119 HydrophobicContact CB-CG2 3.99Å; I102-T119 HydrophobicContact CD1-CG2 4.37Å; I102-T119 PolarHBondContact N-O 2.97Å; I102-T119 PolarHBondContact O-N 3.47Å
120	Q	94.1	Very high	84.6	Confident	108 Å²	108	77.2 Å²	77.2	51%	0.505	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.1	179.3	-171.6	-172.3	39.1	0	0	108.3	E61 T99 Y100 N101	E61-Q120 VanDerWaalsContact CD-NE2 3.27Å; E61-Q120 PolarHBondContact OE1-NE2 3.43Å; E61-Q120 PolarHBondContact OE2-NE2 3.43Å; E61-Q120 VanDerWaalsContact OE2-NE2 3.15Å; T99-Q120 HydrophobicContact CG2-CG 3.49Å; T99-Q120 VanDerWaalsContact CG2-CG 3.49Å; T99-Q120 VanDerWaalsContact CG2-NE2 3.32Å; Y100-Q120 WeakPolarHBondContact O-CA 3.34Å; N101-Q120 WeakPolarHBondContact OD1-CG 3.36Å
121	T	92.9	Very high	85.7	Confident	22 Å²	22	76.2 Å²	76.2	14%	0.135	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135	175.4	-171.6	0	0	0	0	110.5	V23 V36 Y100 I102	V23-T121 HydrophobicContact CG1-CG2 4.2Å; V36-T121 HydrophobicContact CG1-CG2 4.11Å; V36-T121 HydrophobicContact CG2-CG2 4.1Å; Y100-T121 PolarHBondContact N-O 3.15Å; Y100-T121 PolarHBondContact O-N 3.45Å; I102-T121 HydrophobicContact CD1-CG2 3.72Å
122	T	94.8	Very high	87	Confident	81 Å²	81	74.6 Å²	74.6	50%	0.497	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.5	175	-59.1	0	0	0	0	109.3	T99	T99-T122 WeakPolarHBondContact CG2-OG1 3.39Å; T99-T122 PolarHBondContact OG1-OG1 3.11Å
123	V	94.4	Very high	88.6	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.006	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-80.1	127.2	177.8	-173.2	0	0	0	0	107.9	V25 V36 V94 E95 E97 H98 Y100 I131	V25-V123 HydrophobicContact CG1-CG1 4.08Å; V36-V123 HydrophobicContact CG2-CG2 4.35Å; V94-V123 HydrophobicContact CB-CG2 4.01Å; V94-V123 HydrophobicContact CG2-CG1 4.18Å; V94-V123 HydrophobicContact CG2-CG2 3.7Å; E95-V123 WeakPolarHBondContact O-CB 3.46Å; E97-V123 VanDerWaalsContact CA-O 3.32Å; E97-V123 WeakPolarHBondContact CA-O 3.5Å; E97-V123 PolarHBondContact N-O 3.31Å; H98-V123 PolarHBondContact O-N 3.41Å; Y100-V123 HydrophobicContact CD2-CG2 3.79Å; Y100-V123 HydrophobicContact CE2-CG2 3.58Å; V123-I131 HydrophobicContact CG1-CD1 4.37Å
124	P	93.8	Very high	90.1	Very high	20 Å²	20	59.9 Å²	59.9	13%	0.13	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-68.2	166.1	179.6	34	-38.8	0	0	0	111.1	D128 I131	P124-D128 HydrophobicContact CB-CB 3.58Å; P124-D128 VanDerWaalsContact CB-OD2 3.31Å; P124-D128 WeakPolarHBondContact CB-OD2 3.47Å; P124-D128 HydrophobicContact CG-CB 3.72Å; P124-I131 HydrophobicContact CG-CD1 3.98Å; P124-I131 HydrophobicContact CG-CG1 4.25Å; P124-I131 WeakPolarHBondContact O-CD1 3.21Å
125	G	90.9	Very high	91.2	Very high	21 Å²	21	58.6 Å²	58.6	22%	0.216	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-71	165	171.7	0	0	0	0	0	112.9	K127 D128	G125-K127 PolarHBondContact O-N 2.89Å; G125-D128 WeakPolarHBondContact O-CB 3.37Å; G125-D128 PolarHBondContact O-N 3.13Å
126	C	90.8	Very high	91.7	Very high	19 Å²	19	59.1 Å²	59.1	13%	0.128	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-6.7	-173	-84.3	0	0	0	0	116.2	K132 C137 S142	C126-K132 VanDerWaalsContact O-CA 3.24Å; C126-K132 WeakPolarHBondContact O-CA 3.4Å; C126-K132 VanDerWaalsContact O-CB 3.27Å; C126-K132 WeakPolarHBondContact O-CB 3.28Å; C126-C137 WeakPolarHBondContact CA-SG 3.24Å; C126-C137 HydrophobicContact CB-CB 3.55Å; C126-C137 WeakPolarHBondContact CB-SG 3.29Å; C126-C137 WeakPolarHBondContact SG-CA 3.3Å; C126-C137 WeakPolarHBondContact SG-CB 3.4Å; C126-C137 CovalentContact SG-SG 2.06Å; C126-C137 PolarHBondContact SG-SG 3.5Å; C126-S142 WeakPolarHBondContact O-CB 3.45Å
127	K	89.8	Confident	91.9	Very high	135 Å²	135	55.1 Å²	55.1	59%	0.587	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-14	172.3	-69.8	179.6	170.3	176.8	0	113.5	G125 E228	G125-K127 PolarHBondContact O-N 2.89Å; K127-E228 WeakPolarHBondContact CE-OE2 3.31Å; K127-E228 IonicContact NZ-OE1 3.62Å; K127-E228 PolarHBondContact NZ-OE1 2.88Å; K127-E228 IonicContact NZ-OE2 2.84Å; K127-E228 PolarHBondContact NZ-OE2 3.1Å
128	D	92.9	Very high	92	Very high	39 Å²	39	56.8 Å²	56.8	21%	0.209	29%	0.289	C	S	.	.	S	Bend	trans	-68.2	132.2	-177.9	-173.4	-60.6	0	0	0	111.2	P124 G125 R130 I131 K132	P124-D128 HydrophobicContact CB-CB 3.58Å; P124-D128 VanDerWaalsContact CB-OD2 3.31Å; P124-D128 WeakPolarHBondContact CB-OD2 3.47Å; P124-D128 HydrophobicContact CG-CB 3.72Å; G125-D128 WeakPolarHBondContact O-CB 3.37Å; G125-D128 PolarHBondContact O-N 3.13Å; D128-R130 PolarHBondContact O-N 2.91Å; D128-R130 VanDerWaalsContact OD1-CB 3.27Å; D128-R130 WeakPolarHBondContact OD1-CB 3.24Å; D128-R130 VanDerWaalsContact OD1-CG 3.3Å; D128-R130 WeakPolarHBondContact OD1-CG 3.47Å; D128-R130 IonicContact OD1-CZ 2.6Å; D128-R130 PolarHBondContact OD1-N 3.46Å; D128-R130 IonicContact OD1-NE 2.65Å; D128-R130 PolarHBondContact OD1-NE 3.13Å; D128-R130 IonicContact OD1-NH2 3.62Å; D128-R130 IonicContact OD2-CZ 3.6Å; D128-R130 IonicContact OD2-NE 2.65Å; D128-R130 PolarHBondContact OD2-NE 3.01Å; D128-R130 IonicContact OD2-NH2 2.67Å; D128-R130 PolarHBondContact OD2-NH2 3.23Å; D128-I131 HydrophobicContact CB-CG1 4.4Å; D128-I131 PolarHBondContact O-N 3.23Å; D128-I131 VanDerWaalsContact O-N 3.11Å; D128-K132 VanDerWaalsContact O-CB 3.3Å; D128-K132 WeakPolarHBondContact O-CB 3.34Å; D128-K132 PolarHBondContact O-N 3.3Å
129	P	91.3	Very high	91.8	Very high	96 Å²	96	54.2 Å²	54.2	62%	0.623	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-26.5	-179	-27.6	34.8	0	0	0	115.5
130	R	90.9	Very high	91.5	Very high	126 Å²	126	54.3 Å²	54.3	48%	0.475	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-30.1	-178.2	-65.3	174.6	-73.5	174.2	-3.7	113.5	T27 D128	T27-R130 PolarHBondContact OG1-O 2.91Å; T27-R130 VanDerWaalsContact OG1-O 3.09Å; D128-R130 PolarHBondContact O-N 2.91Å; D128-R130 VanDerWaalsContact OD1-CB 3.27Å; D128-R130 WeakPolarHBondContact OD1-CB 3.24Å; D128-R130 VanDerWaalsContact OD1-CG 3.3Å; D128-R130 WeakPolarHBondContact OD1-CG 3.47Å; D128-R130 IonicContact OD1-CZ 2.6Å; D128-R130 PolarHBondContact OD1-N 3.46Å; D128-R130 IonicContact OD1-NE 2.65Å; D128-R130 PolarHBondContact OD1-NE 3.13Å; D128-R130 IonicContact OD1-NH2 3.62Å; D128-R130 IonicContact OD2-CZ 3.6Å; D128-R130 IonicContact OD2-NE 2.65Å; D128-R130 PolarHBondContact OD2-NE 3.01Å; D128-R130 IonicContact OD2-NH2 2.67Å; D128-R130 PolarHBondContact OD2-NH2 3.23Å
131	I	92.9	Very high	91.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-8.1	-172.1	64.9	166.2	0	0	0	113.9	V25 P34 P96 V123 P124 D128 N133 S134 C137	V25-I131 HydrophobicContact CG1-CG2 3.83Å; P34-I131 HydrophobicContact CB-CB 4.34Å; P34-I131 HydrophobicContact CB-CG2 3.98Å; P96-I131 HydrophobicContact CB-CD1 4.39Å; P96-I131 HydrophobicContact CG-CD1 4.46Å; V123-I131 HydrophobicContact CG1-CD1 4.37Å; P124-I131 HydrophobicContact CG-CD1 3.98Å; P124-I131 HydrophobicContact CG-CG1 4.25Å; P124-I131 WeakPolarHBondContact O-CD1 3.21Å; D128-I131 HydrophobicContact CB-CG1 4.4Å; D128-I131 PolarHBondContact O-N 3.23Å; D128-I131 VanDerWaalsContact O-N 3.11Å; I131-N133 PolarHBondContact O-N 3.14Å; I131-S134 WeakPolarHBondContact O-CB 3.09Å; I131-S134 PolarHBondContact O-N 3.26Å; I131-S134 PolarHBondContact O-OG 3.38Å; I131-C137 WeakPolarHBondContact O-CB 2.97Å; I131-C137 PolarHBondContact O-SG 2.57Å
132	K	91.6	Very high	91.1	Very high	75 Å²	75	49.9 Å²	49.9	33%	0.326	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.8	-177.6	68.1	173.9	-174.4	175.7	0	114.4	C126 D128 S134 S142 L143	C126-K132 VanDerWaalsContact O-CA 3.24Å; C126-K132 WeakPolarHBondContact O-CA 3.4Å; C126-K132 VanDerWaalsContact O-CB 3.27Å; C126-K132 WeakPolarHBondContact O-CB 3.28Å; D128-K132 VanDerWaalsContact O-CB 3.3Å; D128-K132 WeakPolarHBondContact O-CB 3.34Å; D128-K132 PolarHBondContact O-N 3.3Å; K132-S134 VanDerWaalsContact C-N 3.35Å; K132-S142 WeakPolarHBondContact O-CB 3.5Å; K132-S142 PolarHBondContact O-OG 3.06Å; K132-L143 HydrophobicContact CD-CD2 4.45Å
133	N	90.8	Very high	90.8	Very high	92 Å²	92	50.4 Å²	50.4	49%	0.492	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-1.7	-179.2	-66.7	-21	0	0	0	112.8	I131 Q138	I131-N133 PolarHBondContact O-N 3.14Å; N133-Q138 PolarHBondContact O-NE2 2.79Å
134	S	92.3	Very high	90.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-65.4	144.8	174.2	63.9	0	0	0	0	110.6	G31 I131 K132 L136 C137 Q138	G31-S134 CarbonylContact O-C 3.57Å; G31-S134 VanDerWaalsContact O-CA 3.29Å; G31-S134 WeakPolarHBondContact O-CA 3.47Å; I131-S134 WeakPolarHBondContact O-CB 3.09Å; I131-S134 PolarHBondContact O-N 3.26Å; I131-S134 PolarHBondContact O-OG 3.38Å; K132-S134 VanDerWaalsContact C-N 3.35Å; S134-L136 VanDerWaalsContact C-N 3.26Å; S134-L136 PolarHBondContact O-N 3.01Å; S134-C137 PolarHBondContact O-N 2.8Å; S134-C137 VanDerWaalsContact OG-CB 3.25Å; S134-C137 WeakPolarHBondContact OG-CB 3.47Å; S134-C137 PolarHBondContact OG-N 2.87Å; S134-C137 PolarHBondContact OG-SG 3.37Å; S134-C137 VanDerWaalsContact OG-SG 3.33Å; S134-Q138 WeakPolarHBondContact O-CG 3.41Å; S134-Q138 PolarHBondContact O-N 3.25Å
135	Q	90.2	Very high	90.3	Very high	96 Å²	96	56 Å²	56	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-54.8	-44.3	178.3	-174.9	-177.7	-19.2	0	0	111.3	G31 S32 C137 Q138 E139	G31-Q135 PolarHBondContact O-N 2.88Å; S32-Q135 WeakPolarHBondContact O-CB 3.4Å; S32-Q135 PolarHBondContact O-N 3.07Å; S32-Q135 VanDerWaalsContact O-N 3.12Å; Q135-C137 VanDerWaalsContact C-N 3.3Å; Q135-C137 PolarHBondContact O-N 3.04Å; Q135-Q138 PolarHBondContact O-N 3.45Å; Q135-Q138 VanDerWaalsContact O-N 3.14Å; Q135-E139 HydrophobicContact CG-CG 4.4Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.44Å; Q135-E139 PolarHBondContact NE2-OE1 2.82Å; Q135-E139 WeakPolarHBondContact O-CB 3.4Å; Q135-E139 WeakPolarHBondContact O-CG 3.36Å; Q135-E139 PolarHBondContact O-N 3.2Å
136	L	90.3	Very high	90	Very high	38 Å²	38	55.7 Å²	55.7	20%	0.199	28%	0.28	C	S	.	.	H	α-helix	trans	-54.1	-43.7	174.5	-178.4	148.1	0	0	0	112.5	S32 P34 P96 S134 N140	S32-L136 PolarHBondContact O-N 3.19Å; P34-L136 HydrophobicContact CG-CD2 4.43Å; P96-L136 HydrophobicContact CG-CD2 3.74Å; S134-L136 VanDerWaalsContact C-N 3.26Å; S134-L136 PolarHBondContact O-N 3.01Å; L136-N140 PolarHBondContact O-N 2.96Å
137	C	90.6	Very high	89.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-75.1	-33.7	178	-74.9	0	0	0	0	113.4	C126 I131 S134 Q135 E139 N140 G141 S142	C126-C137 WeakPolarHBondContact CA-SG 3.24Å; C126-C137 HydrophobicContact CB-CB 3.55Å; C126-C137 WeakPolarHBondContact CB-SG 3.29Å; C126-C137 WeakPolarHBondContact SG-CA 3.3Å; C126-C137 WeakPolarHBondContact SG-CB 3.4Å; C126-C137 CovalentContact SG-SG 2.06Å; C126-C137 PolarHBondContact SG-SG 3.5Å; I131-C137 WeakPolarHBondContact O-CB 2.97Å; I131-C137 PolarHBondContact O-SG 2.57Å; S134-C137 PolarHBondContact O-N 2.8Å; S134-C137 VanDerWaalsContact OG-CB 3.25Å; S134-C137 WeakPolarHBondContact OG-CB 3.47Å; S134-C137 PolarHBondContact OG-N 2.87Å; S134-C137 PolarHBondContact OG-SG 3.37Å; S134-C137 VanDerWaalsContact OG-SG 3.33Å; Q135-C137 VanDerWaalsContact C-N 3.3Å; Q135-C137 PolarHBondContact O-N 3.04Å; C137-E139 VanDerWaalsContact C-N 3.35Å; C137-N140 CarbonylContact O-C 3.56Å; C137-N140 WeakPolarHBondContact O-CA 3.39Å; C137-N140 WeakPolarHBondContact O-CB 3.48Å; C137-N140 PolarHBondContact O-N 3.49Å; C137-N140 VanDerWaalsContact O-N 3.08Å; C137-G141 PolarHBondContact O-N 2.8Å; C137-S142 WeakPolarHBondContact O-CB 3.31Å; C137-S142 PolarHBondContact O-N 2.61Å; C137-S142 PolarHBondContact O-OG 3.11Å
138	Q	90.3	Very high	89.5	Confident	64 Å²	64	57.4 Å²	57.4	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-64.9	-40.4	174.3	-68.9	-175.2	53.1	0	0	111.5	N133 S134 Q135 N140 G141 S142 L143	N133-Q138 PolarHBondContact O-NE2 2.79Å; S134-Q138 WeakPolarHBondContact O-CG 3.41Å; S134-Q138 PolarHBondContact O-N 3.25Å; Q135-Q138 PolarHBondContact O-N 3.45Å; Q135-Q138 VanDerWaalsContact O-N 3.14Å; Q138-N140 PolarHBondContact O-N 3.31Å; Q138-G141 WeakPolarHBondContact O-CA 3.28Å; Q138-G141 PolarHBondContact O-N 3.06Å; Q138-S142 PolarHBondContact N-OG 3.26Å; Q138-L143 HydrophobicContact CG-CD1 3.78Å; Q138-L143 HydrophobicContact CG-CG 4.14Å
139	E	88.3	Confident	89	Confident	56 Å²	56	57.7 Å²	57.7	26%	0.262	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.3	171.6	-71.3	175.4	-172.2	0	0	112.9	Q135 C137 F220 G222	Q135-E139 HydrophobicContact CG-CG 4.4Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.44Å; Q135-E139 PolarHBondContact NE2-OE1 2.82Å; Q135-E139 WeakPolarHBondContact O-CB 3.4Å; Q135-E139 WeakPolarHBondContact O-CG 3.36Å; Q135-E139 PolarHBondContact O-N 3.2Å; C137-E139 VanDerWaalsContact C-N 3.35Å; E139-F220 WeakPolarHBondContact O-CB 3.45Å; E139-G222 WeakPolarHBondContact O-CA 3.33Å; E139-G222 PolarHBondContact O-N 2.83Å
140	N	88.6	Confident	88.4	Confident	52 Å²	52	54.6 Å²	54.6	28%	0.278	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	3.5	168.7	-74.2	-14.5	0	0	0	113.2	L136 C137 Q138 G222 C223	L136-N140 PolarHBondContact O-N 2.96Å; C137-N140 CarbonylContact O-C 3.56Å; C137-N140 WeakPolarHBondContact O-CA 3.39Å; C137-N140 WeakPolarHBondContact O-CB 3.48Å; C137-N140 PolarHBondContact O-N 3.49Å; C137-N140 VanDerWaalsContact O-N 3.08Å; Q138-N140 PolarHBondContact O-N 3.31Å; N140-G222 WeakPolarHBondContact OD1-CA 3.33Å; N140-C223 PolarHBondContact OD1-N 2.93Å
141	G	87.3	Confident	87.5	Confident	13 Å²	13	51.3 Å²	51.3	13%	0.134	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	22.8	178.4	0	0	0	0	0	115.1	C137 Q138 L143 W144 F220	C137-G141 PolarHBondContact O-N 2.8Å; Q138-G141 WeakPolarHBondContact O-CA 3.28Å; Q138-G141 PolarHBondContact O-N 3.06Å; G141-L143 PolarHBondContact O-N 2.93Å; G141-L143 VanDerWaalsContact O-N 3.12Å; G141-W144 WeakPolarHBondContact O-CB 3.39Å; G141-W144 PolarHBondContact O-N 3.36Å; G141-F220 VanDerWaalsContact CA-CE1 3.49Å; G141-F220 VanDerWaalsContact CA-CZ 3.41Å
142	S	90.1	Very high	86.4	Confident	23 Å²	23	54 Å²	54	16%	0.161	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33	179.8	60.7	0	0	0	0	114.4	C126 K132 C137 Q138	C126-S142 WeakPolarHBondContact O-CB 3.45Å; K132-S142 WeakPolarHBondContact O-CB 3.5Å; K132-S142 PolarHBondContact O-OG 3.06Å; C137-S142 WeakPolarHBondContact O-CB 3.31Å; C137-S142 PolarHBondContact O-N 2.61Å; C137-S142 PolarHBondContact O-OG 3.11Å; Q138-S142 PolarHBondContact N-OG 3.26Å
143	L	89.1	Confident	85.2	Confident	92 Å²	92	52.8 Å²	52.8	48%	0.482	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-2.7	-178.6	-57.9	-176.4	0	0	0	113.2	K132 Q138 G141 N145	K132-L143 HydrophobicContact CD-CD2 4.45Å; Q138-L143 HydrophobicContact CG-CD1 3.78Å; Q138-L143 HydrophobicContact CG-CG 4.14Å; G141-L143 PolarHBondContact O-N 2.93Å; G141-L143 VanDerWaalsContact O-N 3.12Å; L143-N145 PolarHBondContact O-N 2.89Å
144	W	89.7	Confident	83.6	Confident	39 Å²	39	56.3 Å²	56.3	15%	0.148	31%	0.305	C	S	.	.			trans	-72.3	121.9	-176.6	178.1	51.1	0	0	0	111.2	G141 P146 D164 A166 Y172 I216 P218 F220 A230	G141-W144 WeakPolarHBondContact O-CB 3.39Å; G141-W144 PolarHBondContact O-N 3.36Å; W144-P146 HydrophobicContact CD2-CG 4.41Å; W144-P146 HydrophobicContact CH2-CB 4.21Å; W144-P146 HydrophobicContact CH2-CG 4.05Å; W144-P146 HydrophobicContact CZ2-CB 3.52Å; W144-P146 HydrophobicContact CZ2-CG 3.82Å; W144-P146 HydrophobicContact CZ3-CG 4.41Å; W144-D164 PolarHBondContact NE1-O 2.85Å; W144-A166 HydrophobicContact CB-CB 3.93Å; W144-A166 VanDerWaalsContact CD1-CB 3.45Å; W144-A166 HydrophobicContact CG-CB 3.81Å; W144-Y172 HydrophobicContact CZ2-CD1 4.13Å; W144-Y172 AromaticContact CZ2-CE1 3.75Å; W144-Y172 HydrophobicContact CZ2-CE1 3.75Å; W144-I216 HydrophobicContact CH2-CB 4.49Å; W144-I216 HydrophobicContact CH2-CG2 4.02Å; W144-I216 HydrophobicContact CZ2-CG2 4.08Å; W144-P218 HydrophobicContact CE3-CB 4.39Å; W144-P218 HydrophobicContact CE3-CG 3.95Å; W144-P218 HydrophobicContact CH2-CB 3.99Å; W144-P218 HydrophobicContact CH2-CG 3.78Å; W144-P218 HydrophobicContact CZ2-CB 4.39Å; W144-P218 HydrophobicContact CZ3-CB 4.01Å; W144-P218 HydrophobicContact CZ3-CG 3.41Å; W144-P218 VanDerWaalsContact CZ3-CG 3.41Å; W144-F220 HydrophobicContact CB-CE1 4.36Å; W144-F220 HydrophobicContact CB-CE2 4.44Å; W144-F220 HydrophobicContact CB-CZ 3.6Å; W144-F220 HydrophobicContact CD2-CE2 4.29Å; W144-F220 AromaticContact CD2-CZ 3.86Å; W144-F220 HydrophobicContact CD2-CZ 3.86Å; W144-F220 HydrophobicContact CE3-CE2 4.01Å; W144-F220 HydrophobicContact CE3-CZ 4.05Å; W144-F220 AromaticContact CG-CZ 3.72Å; W144-F220 HydrophobicContact CG-CZ 3.72Å; W144-A230 HydrophobicContact CH2-CB 3.93Å; W144-A230 HydrophobicContact CZ3-CB 4.12Å
145	N	88.2	Confident	81.7	Confident	100 Å²	100	65.8 Å²	65.8	54%	0.535	35%	0.347	S	S	.	.			trans	-125.8	102.9	170.3	-178.2	-1.2	0	0	0	108.9	L143 R147	L143-N145 PolarHBondContact O-N 2.89Å; N145-R147 VanDerWaalsContact C-N 3.27Å; N145-R147 PolarHBondContact O-N 2.89Å; N145-R147 PolarHBondContact OD1-N 3.07Å
146	P	84.2	Confident	80	Confident	15 Å²	15	68.2 Å²	68.2	10%	0.097	36%	0.356	C	S	.	.			trans	-73.1	-9.7	-170.5	21.8	-28.9	0	0	0	115.7	W144 I148 F163 D164 A230	W144-P146 HydrophobicContact CD2-CG 4.41Å; W144-P146 HydrophobicContact CH2-CB 4.21Å; W144-P146 HydrophobicContact CH2-CG 4.05Å; W144-P146 HydrophobicContact CZ2-CB 3.52Å; W144-P146 HydrophobicContact CZ2-CG 3.82Å; W144-P146 HydrophobicContact CZ3-CG 4.41Å; P146-I148 HydrophobicContact CB-CG1 3.89Å; P146-I148 HydrophobicContact CG-CD1 4.33Å; P146-I148 HydrophobicContact CG-CG1 4.08Å; P146-I148 PolarHBondContact O-N 2.87Å; P146-F163 HydrophobicContact CB-CB 4.36Å; P146-F163 CarbonylContact O-C 3.5Å; P146-F163 WeakPolarHBondContact O-CA 3.45Å; P146-F163 WeakPolarHBondContact O-CB 3.13Å; P146-D164 PolarHBondContact O-N 3Å; P146-A230 HydrophobicContact CG-CB 3.53Å
147	R	86.3	Confident	78.7	Confident	166 Å²	166	69.6 Å²	69.6	63%	0.626	36%	0.364	S	S	*	.			trans	34.1	55.3	-178.7	-63	-171.5	-69.3	-100.8	-2.2	114.1	N145 A149 D164	N145-R147 VanDerWaalsContact C-N 3.27Å; N145-R147 PolarHBondContact O-N 2.89Å; N145-R147 PolarHBondContact OD1-N 3.07Å; R147-A149 PolarHBondContact O-N 3.4Å; R147-D164 WeakPolarHBondContact CB-OD2 3.4Å; R147-D164 IonicContact CZ-OD2 2.79Å; R147-D164 IonicContact NE-OD2 2.94Å; R147-D164 PolarHBondContact NE-OD2 3.09Å; R147-D164 VanDerWaalsContact NH2-CG 3.31Å; R147-D164 IonicContact NH2-OD1 2.83Å; R147-D164 IonicContact NH2-OD2 3.31Å; R147-D164 PolarHBondContact NH2-OD2 3.39Å
148	I	84.4	Confident	77.5	Confident	24 Å²	24	70.8 Å²	70.8	12%	0.123	37%	0.37	C	S	.	.			trans	-60.5	123.6	-169.9	-53.5	175.4	0	0	0	110.8	P146 V161 E162 F163 L214 I216 A230 K232	P146-I148 HydrophobicContact CB-CG1 3.89Å; P146-I148 HydrophobicContact CG-CD1 4.33Å; P146-I148 HydrophobicContact CG-CG1 4.08Å; P146-I148 PolarHBondContact O-N 2.87Å; I148-V161 HydrophobicContact CG2-CG1 4.39Å; I148-E162 CarbonylContact C-O 3.6Å; I148-E162 WeakPolarHBondContact CA-O 3.26Å; I148-F163 HydrophobicContact CG1-CB 4.4Å; I148-L214 HydrophobicContact CG2-CD2 3.45Å; I148-L214 VanDerWaalsContact CG2-CD2 3.45Å; I148-I216 HydrophobicContact CD1-CD1 3.65Å; I148-I216 HydrophobicContact CD1-CG1 4.14Å; I148-I216 HydrophobicContact CG1-CD1 3.73Å; I148-I216 HydrophobicContact CG2-CD1 4.24Å; I148-A230 HydrophobicContact CD1-CB 3.93Å; I148-K232 HydrophobicContact CB-CB 4.46Å; I148-K232 HydrophobicContact CB-CD 3.92Å; I148-K232 HydrophobicContact CD1-CB 4.27Å; I148-K232 HydrophobicContact CG2-CB 4.19Å; I148-K232 HydrophobicContact CG2-CD 3.73Å; I148-K232 WeakPolarHBondContact O-CD 3.48Å; I148-K232 PolarHBondContact O-NZ 3.08Å
149	A	82.6	Confident	76.6	Confident	44 Å²	44	67.8 Å²	67.8	36%	0.364	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.7	167.6	0	0	0	0	0	109.8	R147 E162	R147-A149 PolarHBondContact O-N 3.4Å; A149-E162 HydrophobicContact CB-CB 4.2Å; A149-E162 PolarHBondContact N-O 2.94Å; A149-E162 PolarHBondContact O-N 3.09Å; A149-E162 VanDerWaalsContact O-O 3.09Å
150	A	78	Confident	75.9	Confident	32 Å²	32	67.6 Å²	67.6	26%	0.264	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	129.5	179.1	0	0	0	0	0	109.7	N160 V161 L214 I234	A150-N160 CarbonylContact C-O 3.59Å; A150-N160 VanDerWaalsContact CA-O 3.26Å; A150-N160 WeakPolarHBondContact CA-O 3.24Å; A150-V161 HydrophobicContact CB-CG2 4.49Å; A150-L214 HydrophobicContact CB-CD2 4.48Å; A150-I234 HydrophobicContact CB-CD1 3.44Å; A150-I234 VanDerWaalsContact CB-CD1 3.44Å; A150-I234 HydrophobicContact CB-CG1 4.03Å
151	A	72.2	Confident	75.5	Confident	57 Å²	57	65.1 Å²	65.1	47%	0.471	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.9	-177.7	0	0	0	0	0	110.9	N160	A151-N160 PolarHBondContact N-O 2.77Å; A151-N160 PolarHBondContact O-N 2.79Å
152	L	69.7	Low	75.2	Confident	56 Å²	56	68.4 Å²	68.4	29%	0.293	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.9	170.7	-84.2	76.5	0	0	0	109	I159 I234 R236	L152-I159 HydrophobicContact CD1-CG1 4.2Å; L152-I159 HydrophobicContact CG-CG1 4.01Å; L152-I234 HydrophobicContact CD1-CG2 3.64Å; L152-R236 HydrophobicContact CD2-CB 4.28Å; L152-R236 HydrophobicContact CD2-CG 4Å
153	S	66.7	Low	74.9	Confident	49 Å²	49	67.5 Å²	67.5	34%	0.343	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.7	173.5	-169.4	0	0	0	0	110.9	K155 K156 L158	S153-K155 PolarHBondContact O-N 2.89Å; S153-K156 PolarHBondContact O-N 2.86Å; S153-L158 PolarHBondContact N-O 2.93Å
154	D	56.1	Low	74.6	Confident	166 Å²	166	64.6 Å²	64.6	89%	0.888	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.8	-176.1	-66.5	-35.2	0	0	0	114.8
155	K	53.5	Low	74.3	Confident	199 Å²	199	64.5 Å²	64.5	87%	0.865	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-8.4	-173.1	-67.1	-174.6	178.6	179.7	0	115	S153	S153-K155 PolarHBondContact O-N 2.89Å
156	K	53.4	Low	74	Confident	148 Å²	148	60.6 Å²	60.6	64%	0.643	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.6	7.9	-169.8	-74.9	-168.9	176.7	-177.6	0	116.1	S153 L158	S153-K156 PolarHBondContact O-N 2.86Å; K156-L158 HydrophobicContact CB-CB 4.18Å; K156-L158 PolarHBondContact O-N 2.82Å; K156-L158 VanDerWaalsContact O-N 3.09Å
157	D	63.8	Low	73.9	Confident	67 Å²	67	67 Å²	67	36%	0.358	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	41.1	-176.3	-85.7	-27.6	0	0	0	111	L201 R236	D157-L201 HydrophobicContact CB-CB 4.15Å; D157-L201 WeakPolarHBondContact O-CB 3.35Å; D157-L201 WeakPolarHBondContact O-CG 2.96Å; D157-L201 PolarHBondContact O-N 3.28Å; D157-R236 IonicContact OD1-CZ 3.54Å; D157-R236 IonicContact OD1-NH1 3.7Å; D157-R236 IonicContact OD1-NH2 2.76Å; D157-R236 PolarHBondContact OD1-NH2 2.98Å
158	L	65.8	Low	73.7	Confident	25 Å²	25	61.6 Å²	61.6	13%	0.131	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.1	-175	-166.9	79.6	0	0	0	109.2	S153 K156 N160 F199	S153-L158 PolarHBondContact N-O 2.93Å; K156-L158 HydrophobicContact CB-CB 4.18Å; K156-L158 PolarHBondContact O-N 2.82Å; K156-L158 VanDerWaalsContact O-N 3.09Å; L158-N160 VanDerWaalsContact CD2-OD1 3.24Å; L158-N160 WeakPolarHBondContact CD2-OD1 3.36Å; L158-F199 VanDerWaalsContact CA-O 3.3Å; L158-F199 WeakPolarHBondContact CA-O 3.1Å; L158-F199 WeakPolarHBondContact CD1-O 3.02Å
159	I	71.4	Confident	73.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.2	170.9	-63.4	172.7	0	0	0	108.5	L152 V161 I176 S198 F199 L201 F212 I234	L152-I159 HydrophobicContact CD1-CG1 4.2Å; L152-I159 HydrophobicContact CG-CG1 4.01Å; I159-V161 HydrophobicContact CG2-CG2 3.9Å; I159-I176 HydrophobicContact CD1-CD1 3.4Å; I159-I176 HydrophobicContact CG2-CD1 4.49Å; I159-S198 WeakPolarHBondContact O-CA 3.37Å; I159-F199 HydrophobicContact CB-CB 4.47Å; I159-F199 PolarHBondContact N-O 3.49Å; I159-F199 PolarHBondContact O-N 2.9Å; I159-L201 HydrophobicContact CD1-CD1 3.89Å; I159-L201 HydrophobicContact CD1-CD2 4.23Å; I159-L201 HydrophobicContact CD1-CG 4.41Å; I159-L201 HydrophobicContact CG1-CD1 4.01Å; I159-F212 HydrophobicContact CD1-CD1 4.41Å; I159-F212 HydrophobicContact CD1-CD2 4.48Å; I159-F212 HydrophobicContact CD1-CG 4.44Å; I159-I234 HydrophobicContact CG2-CD1 4.35Å
160	N	73.4	Confident	73.4	Confident	52 Å²	52	64.5 Å²	64.5	28%	0.278	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.9	170.8	-68.6	-7.4	0	0	0	108.7	A150 A151 L158 V197 S198	A150-N160 CarbonylContact C-O 3.59Å; A150-N160 VanDerWaalsContact CA-O 3.26Å; A150-N160 WeakPolarHBondContact CA-O 3.24Å; A151-N160 PolarHBondContact N-O 2.77Å; A151-N160 PolarHBondContact O-N 2.79Å; L158-N160 VanDerWaalsContact CD2-OD1 3.24Å; L158-N160 WeakPolarHBondContact CD2-OD1 3.36Å; N160-V197 CarbonylContact C-O 3.58Å; N160-V197 WeakPolarHBondContact CA-O 3.47Å; N160-S198 PolarHBondContact OD1-OG 3.09Å
161	V	79.1	Confident	73.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.6	177.5	178.1	0	0	0	0	108.6	I148 A150 I159 V174 C196 V197 F199 L214	I148-V161 HydrophobicContact CG2-CG1 4.39Å; A150-V161 HydrophobicContact CB-CG2 4.49Å; I159-V161 HydrophobicContact CG2-CG2 3.9Å; V161-V174 HydrophobicContact CG1-CG1 4.39Å; V161-C196 CarbonylContact O-C 3.55Å; V161-C196 VanDerWaalsContact O-CA 3.26Å; V161-C196 WeakPolarHBondContact O-CA 3.4Å; V161-V197 HydrophobicContact CB-CB 4.45Å; V161-V197 PolarHBondContact N-O 3.41Å; V161-V197 PolarHBondContact O-N 2.94Å; V161-F199 HydrophobicContact CG2-CD2 4.24Å; V161-F199 HydrophobicContact CG2-CE2 4.07Å; V161-L214 HydrophobicContact CB-CD1 4.5Å; V161-L214 HydrophobicContact CB-CD2 4.25Å; V161-L214 HydrophobicContact CG1-CD1 4.03Å; V161-L214 HydrophobicContact CG1-CD2 3.38Å; V161-L214 HydrophobicContact CG1-CG 4.28Å; V161-L214 HydrophobicContact CG2-CD1 3.79Å; V161-L214 HydrophobicContact CG2-CD2 3.84Å; V161-L214 HydrophobicContact CG2-CG 4.47Å
162	E	81.4	Confident	73.9	Confident	82 Å²	82	62.1 Å²	62.1	38%	0.383	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.3	177	-69.7	174.9	-170.3	0	0	109.6	I148 A149 L194 G195 C196	I148-E162 CarbonylContact C-O 3.6Å; I148-E162 WeakPolarHBondContact CA-O 3.26Å; A149-E162 HydrophobicContact CB-CB 4.2Å; A149-E162 PolarHBondContact N-O 2.94Å; A149-E162 PolarHBondContact O-N 3.09Å; A149-E162 VanDerWaalsContact O-O 3.09Å; E162-L194 HydrophobicContact CB-CD2 4.08Å; E162-L194 HydrophobicContact CB-CG 4.5Å; E162-L194 HydrophobicContact CG-CD2 3.91Å; E162-G195 VanDerWaalsContact CA-O 3.29Å; E162-G195 WeakPolarHBondContact CA-O 3.46Å; E162-C196 HydrophobicContact CG-CB 4.49Å
163	F	84.1	Confident	74.3	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	155.4	177.3	67.3	-82.5	0	0	0	111.6	P146 I148 Y172 V174 G195 I216	P146-F163 HydrophobicContact CB-CB 4.36Å; P146-F163 CarbonylContact O-C 3.5Å; P146-F163 WeakPolarHBondContact O-CA 3.45Å; P146-F163 WeakPolarHBondContact O-CB 3.13Å; I148-F163 HydrophobicContact CG1-CB 4.4Å; F163-Y172 AromaticContact CE2-CD1 3.77Å; F163-Y172 HydrophobicContact CE2-CD1 3.77Å; F163-Y172 HydrophobicContact CE2-CD2 4.03Å; F163-Y172 HydrophobicContact CE2-CE1 4.13Å; F163-Y172 HydrophobicContact CE2-CE2 4.4Å; F163-Y172 AromaticContact CE2-CG 3.71Å; F163-Y172 HydrophobicContact CE2-CG 3.71Å; F163-Y172 HydrophobicContact CZ-CD1 4.42Å; F163-Y172 HydrophobicContact CZ-CD2 4.29Å; F163-Y172 AromaticContact CZ-CG 3.98Å; F163-Y172 HydrophobicContact CZ-CG 3.98Å; F163-V174 HydrophobicContact CE1-CG2 3.72Å; F163-V174 HydrophobicContact CZ-CG2 4.02Å; F163-G195 WeakPolarHBondContact CD1-O 3.4Å; F163-G195 PolarHBondContact N-O 2.89Å; F163-G195 VanDerWaalsContact N-O 3.12Å; F163-G195 PolarHBondContact O-N 3.23Å; F163-I216 HydrophobicContact CB-CD1 3.62Å; F163-I216 HydrophobicContact CD1-CD1 3.75Å; F163-I216 HydrophobicContact CD2-CD1 4.11Å; F163-I216 HydrophobicContact CD2-CG2 4.3Å; F163-I216 HydrophobicContact CE1-CD1 4.44Å; F163-I216 HydrophobicContact CE2-CG2 4.2Å; F163-I216 HydrophobicContact CG-CD1 3.56Å; F163-I216 HydrophobicContact CZ-CG2 4.49Å
164	D	83	Confident	75	Confident	31 Å²	31	58.3 Å²	58.3	17%	0.166	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.8	176.7	-66.9	-45.9	0	0	0	111.2	W144 P146 R147	W144-D164 PolarHBondContact NE1-O 2.85Å; P146-D164 PolarHBondContact O-N 3Å; R147-D164 WeakPolarHBondContact CB-OD2 3.4Å; R147-D164 IonicContact CZ-OD2 2.79Å; R147-D164 IonicContact NE-OD2 2.94Å; R147-D164 PolarHBondContact NE-OD2 3.09Å; R147-D164 VanDerWaalsContact NH2-CG 3.31Å; R147-D164 IonicContact NH2-OD1 2.83Å; R147-D164 IonicContact NH2-OD2 3.31Å; R147-D164 PolarHBondContact NH2-OD2 3.39Å
165	S	82.9	Confident	75.9	Confident	38 Å²	38	50.6 Å²	50.6	27%	0.266	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-79.4	141.7	173.3	64.2	0	0	0	0	110.9	Y172 V192 T193	S165-Y172 WeakPolarHBondContact CA-OH 3.24Å; S165-V192 PolarHBondContact OG-O 2.59Å; S165-T193 PolarHBondContact N-O 3.05Å
166	A	82.8	Confident	76.9	Confident	18 Å²	18	41.3 Å²	41.3	15%	0.149	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-86.7	156.6	162.9	0	0	0	0	0	113.5	W144 Y172 F220	W144-A166 HydrophobicContact CB-CB 3.93Å; W144-A166 VanDerWaalsContact CD1-CB 3.45Å; W144-A166 HydrophobicContact CG-CB 3.81Å; A166-Y172 PolarHBondContact N-OH 3.27Å; A166-Y172 PolarHBondContact O-OH 3.45Å; A166-F220 HydrophobicContact CB-CE1 3.42Å; A166-F220 VanDerWaalsContact CB-CE1 3.42Å; A166-F220 HydrophobicContact CB-CZ 3.8Å
167	E	80.8	Confident	77.7	Confident	150 Å²	150	37.7 Å²	37.7	70%	0.701	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-44	-175.9	-175.3	170.7	-179.4	0	0	113.5	S169	E167-S169 VanDerWaalsContact C-N 3.32Å; E167-S169 PolarHBondContact O-N 3.4Å
168	H	83	Confident	77.6	Confident	51 Å²	51	35.4 Å²	35.4	24%	0.236	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	13.1	-174.9	-56.5	-62.2	0	0	0	114.5	F220 I221	H168-F220 HydrophobicContact CB-CD1 4.13Å; H168-F220 WeakPolarHBondContact O-CA 3.25Å; H168-I221 HydrophobicContact CB-CD1 4.48Å; H168-I221 WeakPolarHBondContact O-CG1 3.34Å; H168-I221 PolarHBondContact O-N 3.03Å; H168-I221 VanDerWaalsContact O-N 3.09Å
169	S	80.7	Confident	77.5	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127	177.2	-163.9	0	0	0	0	110.9	E167 S171 Y172 Y219	E167-S169 VanDerWaalsContact C-N 3.32Å; E167-S169 PolarHBondContact O-N 3.4Å; S169-S171 PolarHBondContact OG-O 2.89Å; S169-Y172 VanDerWaalsContact CB-CZ 3.43Å; S169-Y172 WeakPolarHBondContact CB-OH 3.39Å; S169-Y219 PolarHBondContact OG-N 3.48Å; S169-Y219 PolarHBondContact OG-O 3.19Å
170	E	80.3	Confident	76.3	Confident	127 Å²	127	43.9 Å²	43.9	59%	0.593	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	-38.3	-178.8	-61.7	-174	147.4	0	0	111.8	R189 Y219 I221	E170-R189 WeakPolarHBondContact O-CB 3.34Å; E170-R189 PolarHBondContact O-N 2.89Å; E170-R189 VanDerWaalsContact O-N 3.12Å; E170-Y219 PolarHBondContact N-O 3.32Å; E170-I221 HydrophobicContact CG-CG1 4.15Å
171	S	79.9	Confident	75.3	Confident	30 Å²	30	42.4 Å²	42.4	21%	0.21	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	169.6	179	66	0	0	0	0	111.6	S169 R187 Y219	S169-S171 PolarHBondContact OG-O 2.89Å; S171-R187 CarbonylContact C-O 3.57Å; S171-R187 WeakPolarHBondContact CA-O 3.49Å; S171-R187 WeakPolarHBondContact CB-O 3.47Å; S171-Y219 PolarHBondContact O-N 3.23Å; S171-Y219 VanDerWaalsContact OG-CD2 3.3Å; S171-Y219 WeakPolarHBondContact OG-CD2 3.2Å
172	Y	79.3	Confident	74.1	Confident	9 Å²	9	47.6 Å²	47.6	4%	0.035	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.7	175.1	-59.7	-92.9	0	0	0	109	W144 F163 S165 A166 S169 R187 I216 Q217 P218	W144-Y172 HydrophobicContact CZ2-CD1 4.13Å; W144-Y172 AromaticContact CZ2-CE1 3.75Å; W144-Y172 HydrophobicContact CZ2-CE1 3.75Å; F163-Y172 AromaticContact CE2-CD1 3.77Å; F163-Y172 HydrophobicContact CE2-CD1 3.77Å; F163-Y172 HydrophobicContact CE2-CD2 4.03Å; F163-Y172 HydrophobicContact CE2-CE1 4.13Å; F163-Y172 HydrophobicContact CE2-CE2 4.4Å; F163-Y172 AromaticContact CE2-CG 3.71Å; F163-Y172 HydrophobicContact CE2-CG 3.71Å; F163-Y172 HydrophobicContact CZ-CD1 4.42Å; F163-Y172 HydrophobicContact CZ-CD2 4.29Å; F163-Y172 AromaticContact CZ-CG 3.98Å; F163-Y172 HydrophobicContact CZ-CG 3.98Å; S165-Y172 WeakPolarHBondContact CA-OH 3.24Å; A166-Y172 PolarHBondContact N-OH 3.27Å; A166-Y172 PolarHBondContact O-OH 3.45Å; S169-Y172 VanDerWaalsContact CB-CZ 3.43Å; S169-Y172 WeakPolarHBondContact CB-OH 3.39Å; Y172-R187 PolarHBondContact N-O 3.31Å; Y172-R187 PolarHBondContact O-N 3.02Å; Y172-I216 HydrophobicContact CD1-CG2 4.04Å; Y172-Q217 CarbonylContact C-O 3.58Å; Y172-Q217 WeakPolarHBondContact CA-O 3.32Å; Y172-P218 HydrophobicContact CD1-CB 3.88Å; Y172-P218 HydrophobicContact CE1-CB 3.79Å
173	L	79.9	Confident	72.8	Confident	25 Å²	25	46.1 Å²	46.1	13%	0.131	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	112.7	166.9	163.7	65.6	0	0	0	108.1	Q184 N186 Q217 Y219	L173-Q184 HydrophobicContact CD1-CB 3.91Å; L173-Q184 HydrophobicContact CD1-CG 4.32Å; L173-N186 WeakPolarHBondContact CD1-OD1 3.48Å; L173-Q217 HydrophobicContact CB-CB 4.15Å; L173-Q217 PolarHBondContact N-O 3.17Å; L173-Q217 PolarHBondContact O-N 3.06Å; L173-Y219 HydrophobicContact CB-CE2 3.72Å
174	V	80.3	Confident	71.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.8	176.8	-174.3	0	0	0	0	107.8	V161 F163 E185 V197 F199 L214 I216	V161-V174 HydrophobicContact CG1-CG1 4.39Å; F163-V174 HydrophobicContact CE1-CG2 3.72Å; F163-V174 HydrophobicContact CZ-CG2 4.02Å; V174-E185 PolarHBondContact N-O 3.44Å; V174-E185 PolarHBondContact O-N 2.95Å; V174-V197 HydrophobicContact CB-CG2 4.2Å; V174-V197 HydrophobicContact CG1-CB 4.41Å; V174-V197 HydrophobicContact CG1-CG1 4.41Å; V174-V197 HydrophobicContact CG1-CG2 4.39Å; V174-V197 HydrophobicContact CG2-CG2 3.98Å; V174-F199 HydrophobicContact CB-CZ 4.46Å; V174-F199 HydrophobicContact CG1-CE2 4.01Å; V174-F199 HydrophobicContact CG1-CZ 3.95Å; V174-L214 HydrophobicContact CG1-CD1 3.78Å; V174-I216 HydrophobicContact CG1-CG1 4.39Å; V174-I216 HydrophobicContact CG2-CG1 4.45Å; V174-I216 HydrophobicContact CG2-CG2 4.44Å
175	S	74.9	Confident	70.2	Confident	5 Å²	5	53.2 Å²	53.2	4%	0.035	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.2	-177.3	63.4	0	0	0	0	111.1	Q183 L214 Q215	S175-Q183 VanDerWaalsContact CA-O 3.31Å; S175-Q183 WeakPolarHBondContact CA-O 3.4Å; S175-L214 WeakPolarHBondContact O-CA 3.48Å; S175-Q215 PolarHBondContact N-O 3.05Å; S175-Q215 PolarHBondContact O-N 3.06Å; S175-Q215 PolarHBondContact OG-O 2.83Å
176	I	75.4	Confident	68.7	Low	3 Å²	3	57.2 Å²	57.2	2%	0.015	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.3	174.3	-168.9	169	0	0	0	109	I159 Q183 F199 F212	I159-I176 HydrophobicContact CD1-CD1 3.4Å; I159-I176 HydrophobicContact CG2-CD1 4.49Å; I176-Q183 HydrophobicContact CG2-CB 3.81Å; I176-Q183 PolarHBondContact N-O 3.36Å; I176-Q183 PolarHBondContact O-N 3.27Å; I176-Q183 VanDerWaalsContact O-N 3.07Å; I176-F199 HydrophobicContact CB-CD2 4.49Å; I176-F199 HydrophobicContact CB-CE2 4.43Å; I176-F199 HydrophobicContact CG2-CB 4.45Å; I176-F199 HydrophobicContact CG2-CD1 3.77Å; I176-F199 HydrophobicContact CG2-CD2 4.17Å; I176-F199 HydrophobicContact CG2-CE1 3.97Å; I176-F199 HydrophobicContact CG2-CE2 4.35Å; I176-F199 HydrophobicContact CG2-CG 3.87Å; I176-F199 HydrophobicContact CG2-CZ 4.25Å; I176-F212 HydrophobicContact CD1-CB 4.06Å; I176-F212 HydrophobicContact CD1-CD1 3.81Å; I176-F212 HydrophobicContact CD1-CG 4.16Å; I176-F212 HydrophobicContact CG1-CB 4.08Å; I176-F212 HydrophobicContact CG1-CD1 4.03Å; I176-F212 HydrophobicContact CG1-CG 4.47Å
177	Q	68.8	Low	67.5	Low	72 Å²	72	60.8 Å²	60.8	34%	0.336	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.3	-178.8	-57.5	-175	2.2	0	0	109.6	V181 N182 F212 I213	Q177-V181 CarbonylContact C-O 3.59Å; Q177-V181 WeakPolarHBondContact CA-O 3.4Å; Q177-N182 WeakPolarHBondContact CG-OD1 3.36Å; Q177-F212 CarbonylContact O-C 3.56Å; Q177-F212 WeakPolarHBondContact O-CA 3.37Å; Q177-I213 PolarHBondContact N-O 2.89Å; Q177-I213 PolarHBondContact O-N 2.79Å
178	S	62.2	Low	66.3	Low	20 Å²	20	58.5 Å²	58.5	14%	0.14	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	102.6	171.9	-171.1	0	0	0	0	110.4	S180 V181 H211	S178-S180 PolarHBondContact O-N 3.43Å; S178-V181 PolarHBondContact N-O 3.42Å; S178-V181 PolarHBondContact O-N 3.28Å; S178-H211 WeakPolarHBondContact CB-O 3.48Å; S178-H211 PolarHBondContact OG-O 2.82Å
179	G	64.2	Low	64.8	Low	85 Å²	85	62.5 Å²	62.5	88%	0.876	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	-108.5	-176.6	0	0	0	0	0	111.7
180	S	45.4	Very low	63	Low	117 Å²	117	68 Å²	68	82%	0.818	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-4.6	178.7	56.1	0	0	0	0	115.1	S178	S178-S180 PolarHBondContact O-N 3.43Å
181	V	53.2	Low	61.3	Low	21 Å²	21	69.1 Å²	69.1	13%	0.127	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115	-177.6	-177.1	0	0	0	0	109.7	Q177 S178 Q183 Y204	Q177-V181 CarbonylContact C-O 3.59Å; Q177-V181 WeakPolarHBondContact CA-O 3.4Å; S178-V181 PolarHBondContact N-O 3.42Å; S178-V181 PolarHBondContact O-N 3.28Å; V181-Q183 HydrophobicContact CG1-CG 4.38Å; V181-Y204 HydrophobicContact CG2-CD2 4.43Å; V181-Y204 HydrophobicContact CG2-CG 4.25Å
182	N	54.5	Low	59.6	Low	110 Å²	110	71.6 Å²	71.6	59%	0.588	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.2	169.5	-75.3	-23.6	0	0	0	108.6	Q177	Q177-N182 WeakPolarHBondContact CG-OD1 3.36Å
183	Q	53.8	Low	58.5	Low	50 Å²	50	76.9 Å²	76.9	23%	0.234	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.3	169.5	-67.7	-177.2	4.8	0	0	109.6	S175 I176 V181 F199 H200	S175-Q183 VanDerWaalsContact CA-O 3.31Å; S175-Q183 WeakPolarHBondContact CA-O 3.4Å; I176-Q183 HydrophobicContact CG2-CB 3.81Å; I176-Q183 PolarHBondContact N-O 3.36Å; I176-Q183 PolarHBondContact O-N 3.27Å; I176-Q183 VanDerWaalsContact O-N 3.07Å; V181-Q183 HydrophobicContact CG1-CG 4.38Å; Q183-F199 HydrophobicContact CB-CD1 3.95Å; Q183-F199 HydrophobicContact CB-CE1 4.16Å; Q183-H200 PolarHBondContact NE2-O 2.96Å; Q183-H200 VanDerWaalsContact NE2-O 3.09Å
184	Q	56.2	Low	57.1	Low	130 Å²	130	79.2 Å²	79.2	61%	0.607	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.8	-176.9	-67.4	-172.6	8.4	0	0	108.9	L173	L173-Q184 HydrophobicContact CD1-CB 3.91Å; L173-Q184 HydrophobicContact CD1-CG 4.32Å
185	E	54.7	Low	55.8	Low	55 Å²	55	80.1 Å²	80.1	26%	0.257	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.2	173.2	-165.5	176.6	140.4	0	0	109.1	V174 R187 V197 F199	V174-E185 PolarHBondContact N-O 3.44Å; V174-E185 PolarHBondContact O-N 2.95Å; E185-R187 IonicContact OE1-CZ 3.67Å; E185-R187 IonicContact OE1-NE 2.95Å; E185-R187 PolarHBondContact OE1-NE 3.21Å; E185-R187 IonicContact OE1-NH2 3.57Å; E185-R187 PolarHBondContact OE1-NH2 3.46Å; E185-V197 HydrophobicContact CB-CG1 3.98Å; E185-V197 HydrophobicContact CG-CG1 4.32Å; E185-V197 VanDerWaalsContact OE2-CG1 3.3Å; E185-V197 WeakPolarHBondContact OE2-CG1 3.41Å; E185-F199 HydrophobicContact CB-CE1 4.2Å; E185-F199 HydrophobicContact CB-CZ 4.4Å
186	N	52.8	Low	54.7	Low	121 Å²	121	82.5 Å²	82.5	65%	0.647	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.6	174.6	-75.6	-20.3	0	0	0	109.3	L173	L173-N186 WeakPolarHBondContact CD1-OD1 3.48Å
187	R	56.6	Low	53.8	Low	94 Å²	94	82.3 Å²	82.3	36%	0.355	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	110.5	172.5	-76.6	-69.9	175.4	152	-0.9	109.9	S171 Y172 E185 V197	S171-R187 CarbonylContact C-O 3.57Å; S171-R187 WeakPolarHBondContact CA-O 3.49Å; S171-R187 WeakPolarHBondContact CB-O 3.47Å; Y172-R187 PolarHBondContact N-O 3.31Å; Y172-R187 PolarHBondContact O-N 3.02Å; E185-R187 IonicContact OE1-CZ 3.67Å; E185-R187 IonicContact OE1-NE 2.95Å; E185-R187 PolarHBondContact OE1-NE 3.21Å; E185-R187 IonicContact OE1-NH2 3.57Å; E185-R187 PolarHBondContact OE1-NH2 3.46Å; R187-V197 HydrophobicContact CG-CG2 3.79Å
188	T	57.1	Low	53.4	Low	102 Å²	102	81.4 Å²	81.4	63%	0.626	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	152.1	165.8	50.8	0	0	0	0	109.5	L190	T188-L190 PolarHBondContact O-N 3.1Å
189	R	50.8	Low	53.2	Low	134 Å²	134	80.7 Å²	80.7	51%	0.506	46%	0.459	S	S	.	.			trans	-58.9	106	177.8	-171.5	176	-175.3	-102.2	6.4	110.6	E170	E170-R189 WeakPolarHBondContact O-CB 3.34Å; E170-R189 PolarHBondContact O-N 2.89Å; E170-R189 VanDerWaalsContact O-N 3.12Å
190	L	42.7	Very low	52.9	Low	119 Å²	119	82.1 Å²	82.1	62%	0.623	44%	0.442	S	S	*	.			trans	-92.1	143.5	152.6	-69.7	158.5	0	0	0	105.5	T188 V192	T188-L190 PolarHBondContact O-N 3.1Å; L190-V192 HydrophobicContact CB-CG2 4.13Å; L190-V192 PolarHBondContact O-N 2.75Å
191	N	44.7	Very low	53.5	Low	149 Å²	149	77 Å²	77	80%	0.797	41%	0.406	S	S	*	.	S	Bend	trans	-62.1	66.5	-176.6	-70.3	-21.9	0	0	0	113.3
192	V	44	Very low	53.2	Low	83 Å²	83	80.3 Å²	80.3	50%	0.503	43%	0.43	S	S	.	.			trans	-135.1	121.9	-175.5	-161.7	0	0	0	0	107	S165 L190 L194	S165-V192 PolarHBondContact OG-O 2.59Å; L190-V192 HydrophobicContact CB-CG2 4.13Å; L190-V192 PolarHBondContact O-N 2.75Å; V192-L194 WeakPolarHBondContact CG1-O 3.44Å; V192-L194 PolarHBondContact O-N 3.19Å
193	T	55.5	Low	52.7	Low	119 Å²	119	82.9 Å²	82.9	73%	0.73	44%	0.438	S	S	*	.	S	Bend	trans	-61.9	-20.8	175.6	6.7	0	0	0	0	112.7	S165	S165-T193 PolarHBondContact N-O 3.05Å
194	L	50.8	Low	52.4	Low	75 Å²	75	86.7 Å²	86.7	39%	0.393	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114	-177.7	-157.3	106.2	0	0	0	110.3	E162 V192	E162-L194 HydrophobicContact CB-CD2 4.08Å; E162-L194 HydrophobicContact CB-CG 4.5Å; E162-L194 HydrophobicContact CG-CD2 3.91Å; V192-L194 WeakPolarHBondContact CG1-O 3.44Å; V192-L194 PolarHBondContact O-N 3.19Å
195	G	54.7	Low	51.6	Low	19 Å²	19	89.9 Å²	89.9	20%	0.196	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.5	173.9	0	0	0	0	0	110.6	E162 F163	E162-G195 VanDerWaalsContact CA-O 3.29Å; E162-G195 WeakPolarHBondContact CA-O 3.46Å; F163-G195 WeakPolarHBondContact CD1-O 3.4Å; F163-G195 PolarHBondContact N-O 2.89Å; F163-G195 VanDerWaalsContact N-O 3.12Å; F163-G195 PolarHBondContact O-N 3.23Å
196	C	51.1	Low	51.2	Low	54 Å²	54	89.6 Å²	89.6	37%	0.365	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.5	175.4	-169.8	0	0	0	0	110.8	V161 E162	V161-C196 CarbonylContact O-C 3.55Å; V161-C196 VanDerWaalsContact O-CA 3.26Å; V161-C196 WeakPolarHBondContact O-CA 3.4Å; E162-C196 HydrophobicContact CG-CB 4.49Å
197	V	57.3	Low	50.8	Low	0 Å²	0	89.5 Å²	89.5	0%	0	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139	179.2	179	0	0	0	0	109.2	N160 V161 V174 E185 R187 F199	N160-V197 CarbonylContact C-O 3.58Å; N160-V197 WeakPolarHBondContact CA-O 3.47Å; V161-V197 HydrophobicContact CB-CB 4.45Å; V161-V197 PolarHBondContact N-O 3.41Å; V161-V197 PolarHBondContact O-N 2.94Å; V174-V197 HydrophobicContact CB-CG2 4.2Å; V174-V197 HydrophobicContact CG1-CB 4.41Å; V174-V197 HydrophobicContact CG1-CG1 4.41Å; V174-V197 HydrophobicContact CG1-CG2 4.39Å; V174-V197 HydrophobicContact CG2-CG2 3.98Å; E185-V197 HydrophobicContact CB-CG1 3.98Å; E185-V197 HydrophobicContact CG-CG1 4.32Å; E185-V197 VanDerWaalsContact OE2-CG1 3.3Å; E185-V197 WeakPolarHBondContact OE2-CG1 3.41Å; R187-V197 HydrophobicContact CG-CG2 3.79Å; V197-F199 HydrophobicContact CB-CE2 4.3Å; V197-F199 HydrophobicContact CG1-CD2 4.11Å; V197-F199 HydrophobicContact CG1-CE1 4.15Å; V197-F199 HydrophobicContact CG1-CE2 3.46Å; V197-F199 VanDerWaalsContact CG1-CE2 3.46Å; V197-F199 HydrophobicContact CG1-CZ 3.49Å; V197-F199 VanDerWaalsContact CG1-CZ 3.49Å
198	S	59.2	Low	50.2	Low	52 Å²	52	89.4 Å²	89.4	36%	0.364	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	115.1	-175.1	-56.3	0	0	0	0	110.6	I159 N160	I159-S198 WeakPolarHBondContact O-CA 3.37Å; N160-S198 PolarHBondContact OD1-OG 3.09Å
199	F	57.7	Low	49.7	Very low	6 Å²	6	91.4 Å²	91.4	3%	0.026	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.6	-179.6	-64	-79.2	0	0	0	111.5	L158 I159 V161 V174 I176 Q183 E185 V197	L158-F199 VanDerWaalsContact CA-O 3.3Å; L158-F199 WeakPolarHBondContact CA-O 3.1Å; L158-F199 WeakPolarHBondContact CD1-O 3.02Å; I159-F199 HydrophobicContact CB-CB 4.47Å; I159-F199 PolarHBondContact N-O 3.49Å; I159-F199 PolarHBondContact O-N 2.9Å; V161-F199 HydrophobicContact CG2-CD2 4.24Å; V161-F199 HydrophobicContact CG2-CE2 4.07Å; V174-F199 HydrophobicContact CB-CZ 4.46Å; V174-F199 HydrophobicContact CG1-CE2 4.01Å; V174-F199 HydrophobicContact CG1-CZ 3.95Å; I176-F199 HydrophobicContact CB-CD2 4.49Å; I176-F199 HydrophobicContact CB-CE2 4.43Å; I176-F199 HydrophobicContact CG2-CB 4.45Å; I176-F199 HydrophobicContact CG2-CD1 3.77Å; I176-F199 HydrophobicContact CG2-CD2 4.17Å; I176-F199 HydrophobicContact CG2-CE1 3.97Å; I176-F199 HydrophobicContact CG2-CE2 4.35Å; I176-F199 HydrophobicContact CG2-CG 3.87Å; I176-F199 HydrophobicContact CG2-CZ 4.25Å; Q183-F199 HydrophobicContact CB-CD1 3.95Å; Q183-F199 HydrophobicContact CB-CE1 4.16Å; E185-F199 HydrophobicContact CB-CE1 4.2Å; E185-F199 HydrophobicContact CB-CZ 4.4Å; V197-F199 HydrophobicContact CB-CE2 4.3Å; V197-F199 HydrophobicContact CG1-CD2 4.11Å; V197-F199 HydrophobicContact CG1-CE1 4.15Å; V197-F199 HydrophobicContact CG1-CE2 3.46Å; V197-F199 VanDerWaalsContact CG1-CE2 3.46Å; V197-F199 HydrophobicContact CG1-CZ 3.49Å; V197-F199 VanDerWaalsContact CG1-CZ 3.49Å
200	H	58.2	Low	50.1	Low	114 Å²	114	85.4 Å²	85.4	53%	0.528	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.2	174.7	-78.7	-81.1	0	0	0	111.2	Q183	Q183-H200 PolarHBondContact NE2-O 2.96Å; Q183-H200 VanDerWaalsContact NE2-O 3.09Å
201	L	58.7	Low	51.2	Low	11 Å²	11	86 Å²	86	6%	0.058	47%	0.47	C	S	.	.			trans	-94.4	-2.8	-178.9	-57.8	162.9	0	0	0	113.8	D157 I159 Q203 F212	D157-L201 HydrophobicContact CB-CB 4.15Å; D157-L201 WeakPolarHBondContact O-CB 3.35Å; D157-L201 WeakPolarHBondContact O-CG 2.96Å; D157-L201 PolarHBondContact O-N 3.28Å; I159-L201 HydrophobicContact CD1-CD1 3.89Å; I159-L201 HydrophobicContact CD1-CD2 4.23Å; I159-L201 HydrophobicContact CD1-CG 4.41Å; I159-L201 HydrophobicContact CG1-CD1 4.01Å; L201-Q203 PolarHBondContact O-N 2.83Å; L201-F212 HydrophobicContact CD1-CZ 4.35Å; L201-F212 HydrophobicContact CD2-CE1 3.79Å; L201-F212 HydrophobicContact CD2-CZ 4.11Å
202	S	46.5	Very low	52.5	Low	90 Å²	90	79.1 Å²	79.1	63%	0.629	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	23.6	-164.2	68.9	0	0	0	0	117.2
203	Q	43.2	Very low	54.2	Low	163 Å²	163	78.5 Å²	78.5	76%	0.762	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-0.6	176.6	-86.4	-177	-7	0	0	114.2	L201	L201-Q203 PolarHBondContact O-N 2.83Å
204	Y	47.9	Very low	55.4	Low	130 Å²	130	72.8 Å²	72.8	51%	0.51	39%	0.391	S	S	.	.	S	Bend	trans	-134.8	132.8	-171.2	-62.5	-83.1	0	0	0	111	V181 V206	V181-Y204 HydrophobicContact CG2-CD2 4.43Å; V181-Y204 HydrophobicContact CG2-CG 4.25Å; Y204-V206 VanDerWaalsContact C-N 3.3Å; Y204-V206 PolarHBondContact O-N 2.81Å
205	E	39.4	Very low	57.1	Low	198 Å²	198	71 Å²	71	93%	0.925	38%	0.381	S	S	*	.			trans	-68.2	87.7	171.4	-72.8	-175.2	164.6	0	0	109.1	T207	E205-T207 PolarHBondContact O-N 3.14Å; E205-T207 VanDerWaalsContact O-N 3.15Å
206	V	46.1	Very low	58.5	Low	49 Å²	49	70.1 Å²	70.1	30%	0.297	37%	0.372	S	S	.	.			trans	-76.1	103.2	-179.6	-178.1	0	0	0	0	109.3	Y204 S210	Y204-V206 VanDerWaalsContact C-N 3.3Å; Y204-V206 PolarHBondContact O-N 2.81Å; V206-S210 VanDerWaalsContact CG1-CB 3.42Å
207	T	44.2	Very low	60.2	Low	118 Å²	118	68.8 Å²	68.8	72%	0.724	36%	0.36	S	S	*	.			trans	-61.1	154	171.6	43.3	0	0	0	0	112.5	E205 L209	E205-T207 PolarHBondContact O-N 3.14Å; E205-T207 VanDerWaalsContact O-N 3.15Å; T207-L209 VanDerWaalsContact C-N 3.26Å; T207-L209 PolarHBondContact O-N 3.25Å
208	S	44.8	Very low	61.6	Low	93 Å²	93	68.8 Å²	68.8	65%	0.65	36%	0.36	S	S	*	.	S	Bend	trans	-58.2	7.6	-158.5	48.4	0	0	0	0	120.3
209	L	45.8	Very low	62.8	Low	144 Å²	144	68.9 Å²	68.9	75%	0.754	35%	0.353	S	S	*	.			trans	-145.8	71.2	173.6	-75.9	170.4	0	0	0	110.7	T207 H211	T207-L209 VanDerWaalsContact C-N 3.26Å; T207-L209 PolarHBondContact O-N 3.25Å; L209-H211 PolarHBondContact O-N 2.95Å
210	S	58.9	Low	64.2	Low	8 Å²	8	68.8 Å²	68.8	6%	0.056	35%	0.353	C	S	.	.			trans	-83.3	105.7	179	54.3	0	0	0	0	111.2	V206 F212	V206-S210 VanDerWaalsContact CG1-CB 3.42Å; S210-F212 VanDerWaalsContact CB-CE2 3.45Å; S210-F212 WeakPolarHBondContact OG-CE2 3.44Å
211	H	65.6	Low	65.5	Low	131 Å²	131	67.2 Å²	67.2	61%	0.606	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.9	164	-70.3	-160.3	0	0	0	107.9	S178 L209	S178-H211 WeakPolarHBondContact CB-O 3.48Å; S178-H211 PolarHBondContact OG-O 2.82Å; L209-H211 PolarHBondContact O-N 2.95Å
212	F	72.7	Confident	66.4	Low	5 Å²	5	68.5 Å²	68.5	2%	0.022	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.3	173.4	-57.5	-92	0	0	0	109.2	I159 I176 Q177 L201 S210 N233 I234	I159-F212 HydrophobicContact CD1-CD1 4.41Å; I159-F212 HydrophobicContact CD1-CD2 4.48Å; I159-F212 HydrophobicContact CD1-CG 4.44Å; I176-F212 HydrophobicContact CD1-CB 4.06Å; I176-F212 HydrophobicContact CD1-CD1 3.81Å; I176-F212 HydrophobicContact CD1-CG 4.16Å; I176-F212 HydrophobicContact CG1-CB 4.08Å; I176-F212 HydrophobicContact CG1-CD1 4.03Å; I176-F212 HydrophobicContact CG1-CG 4.47Å; Q177-F212 CarbonylContact O-C 3.56Å; Q177-F212 WeakPolarHBondContact O-CA 3.37Å; L201-F212 HydrophobicContact CD1-CZ 4.35Å; L201-F212 HydrophobicContact CD2-CE1 3.79Å; L201-F212 HydrophobicContact CD2-CZ 4.11Å; S210-F212 VanDerWaalsContact CB-CE2 3.45Å; S210-F212 WeakPolarHBondContact OG-CE2 3.44Å; F212-N233 CarbonylContact O-C 3.6Å; F212-N233 WeakPolarHBondContact O-CA 3.37Å; F212-I234 HydrophobicContact CB-CB 4.23Å; F212-I234 PolarHBondContact N-O 3.5Å; F212-I234 PolarHBondContact O-N 2.81Å
213	I	79.1	Confident	68.1	Low	69 Å²	69	65.4 Å²	65.4	35%	0.354	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.2	169.9	-56	177.4	0	0	0	106.6	Q177	Q177-I213 PolarHBondContact N-O 2.89Å; Q177-I213 PolarHBondContact O-N 2.79Å
214	L	82.5	Confident	70	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	128	170.6	176.4	67.2	0	0	0	108.4	I148 A150 V161 V174 S175 K231 K232 I234	I148-L214 HydrophobicContact CG2-CD2 3.45Å; I148-L214 VanDerWaalsContact CG2-CD2 3.45Å; A150-L214 HydrophobicContact CB-CD2 4.48Å; V161-L214 HydrophobicContact CB-CD1 4.5Å; V161-L214 HydrophobicContact CB-CD2 4.25Å; V161-L214 HydrophobicContact CG1-CD1 4.03Å; V161-L214 HydrophobicContact CG1-CD2 3.38Å; V161-L214 HydrophobicContact CG1-CG 4.28Å; V161-L214 HydrophobicContact CG2-CD1 3.79Å; V161-L214 HydrophobicContact CG2-CD2 3.84Å; V161-L214 HydrophobicContact CG2-CG 4.47Å; V174-L214 HydrophobicContact CG1-CD1 3.78Å; S175-L214 WeakPolarHBondContact O-CA 3.48Å; L214-K231 CarbonylContact O-C 3.53Å; L214-K231 VanDerWaalsContact O-CA 3.24Å; L214-K231 WeakPolarHBondContact O-CA 3.45Å; L214-K232 HydrophobicContact CB-CB 4.48Å; L214-K232 WeakPolarHBondContact CB-O 3.35Å; L214-K232 PolarHBondContact N-O 2.92Å; L214-K232 PolarHBondContact O-N 2.89Å; L214-I234 HydrophobicContact CB-CD1 4.15Å; L214-I234 HydrophobicContact CD2-CD1 4.39Å
215	Q	85	Confident	71.6	Confident	38 Å²	38	62.4 Å²	62.4	18%	0.178	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.3	176.5	175.4	176.8	-27.4	0	0	110	S175 A230 K231	S175-Q215 PolarHBondContact N-O 3.05Å; S175-Q215 PolarHBondContact O-N 3.06Å; S175-Q215 PolarHBondContact OG-O 2.83Å; Q215-A230 CarbonylContact C-O 3.55Å; Q215-A230 WeakPolarHBondContact CA-O 3.08Å; Q215-K231 HydrophobicContact CB-CG 4.23Å; Q215-K231 HydrophobicContact CG-CG 4.16Å
216	I	84.8	Confident	73.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.3	175.9	-54.4	-178.2	0	0	0	107.7	W144 I148 F163 Y172 V174 S229 A230	W144-I216 HydrophobicContact CH2-CB 4.49Å; W144-I216 HydrophobicContact CH2-CG2 4.02Å; W144-I216 HydrophobicContact CZ2-CG2 4.08Å; I148-I216 HydrophobicContact CD1-CD1 3.65Å; I148-I216 HydrophobicContact CD1-CG1 4.14Å; I148-I216 HydrophobicContact CG1-CD1 3.73Å; I148-I216 HydrophobicContact CG2-CD1 4.24Å; F163-I216 HydrophobicContact CB-CD1 3.62Å; F163-I216 HydrophobicContact CD1-CD1 3.75Å; F163-I216 HydrophobicContact CD2-CD1 4.11Å; F163-I216 HydrophobicContact CD2-CG2 4.3Å; F163-I216 HydrophobicContact CE1-CD1 4.44Å; F163-I216 HydrophobicContact CE2-CG2 4.2Å; F163-I216 HydrophobicContact CG-CD1 3.56Å; F163-I216 HydrophobicContact CZ-CG2 4.49Å; Y172-I216 HydrophobicContact CD1-CG2 4.04Å; V174-I216 HydrophobicContact CG1-CG1 4.39Å; V174-I216 HydrophobicContact CG2-CG1 4.45Å; V174-I216 HydrophobicContact CG2-CG2 4.44Å; I216-S229 CarbonylContact O-C 3.59Å; I216-S229 WeakPolarHBondContact O-CA 3.26Å; I216-A230 PolarHBondContact N-O 2.96Å; I216-A230 PolarHBondContact O-N 2.86Å
217	Q	86.6	Confident	75.3	Confident	25 Å²	25	58.3 Å²	58.3	12%	0.117	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	111.2	176	178.6	65.4	32.1	0	0	108.9	Y172 L173 Y219 C227	Y172-Q217 CarbonylContact C-O 3.58Å; Y172-Q217 WeakPolarHBondContact CA-O 3.32Å; L173-Q217 HydrophobicContact CB-CB 4.15Å; L173-Q217 PolarHBondContact N-O 3.17Å; L173-Q217 PolarHBondContact O-N 3.06Å; Q217-Y219 HydrophobicContact CG-CE2 4.3Å; Q217-C227 PolarHBondContact NE2-O 3.09Å
218	P	87.3	Confident	77.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	157.5	173.1	36.4	-37.3	0	0	0	110.9	W144 Y172 F220 C227 E228	W144-P218 HydrophobicContact CE3-CB 4.39Å; W144-P218 HydrophobicContact CE3-CG 3.95Å; W144-P218 HydrophobicContact CH2-CB 3.99Å; W144-P218 HydrophobicContact CH2-CG 3.78Å; W144-P218 HydrophobicContact CZ2-CB 4.39Å; W144-P218 HydrophobicContact CZ3-CB 4.01Å; W144-P218 HydrophobicContact CZ3-CG 3.41Å; W144-P218 VanDerWaalsContact CZ3-CG 3.41Å; Y172-P218 HydrophobicContact CD1-CB 3.88Å; Y172-P218 HydrophobicContact CE1-CB 3.79Å; P218-F220 HydrophobicContact CB-CD2 3.8Å; P218-F220 HydrophobicContact CB-CE2 3.39Å; P218-F220 HydrophobicContact CB-CZ 4.04Å; P218-F220 HydrophobicContact CG-CD2 3.87Å; P218-F220 HydrophobicContact CG-CE2 3.43Å; P218-F220 VanDerWaalsContact CG-CE2 3.43Å; P218-F220 HydrophobicContact CG-CZ 4.4Å; P218-C227 HydrophobicContact CG-CB 3.86Å; P218-C227 WeakPolarHBondContact O-CB 3.48Å; P218-E228 WeakPolarHBondContact CD-O 3.29Å
219	Y	84.6	Confident	79.2	Confident	54 Å²	54	55.7 Å²	55.7	21%	0.212	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	84.3	170.7	-63.1	-87.3	0	0	0	108.3	S169 E170 S171 L173 Q217 K224	S169-Y219 PolarHBondContact OG-N 3.48Å; S169-Y219 PolarHBondContact OG-O 3.19Å; E170-Y219 PolarHBondContact N-O 3.32Å; S171-Y219 PolarHBondContact O-N 3.23Å; S171-Y219 VanDerWaalsContact OG-CD2 3.3Å; S171-Y219 WeakPolarHBondContact OG-CD2 3.2Å; L173-Y219 HydrophobicContact CB-CE2 3.72Å; Q217-Y219 HydrophobicContact CG-CE2 4.3Å; Y219-K224 WeakPolarHBondContact CD1-O 3.48Å
220	F	85.6	Confident	81.2	Confident	5 Å²	5	49.7 Å²	49.7	2%	0.022	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	153.3	176	-61.8	-87.8	0	0	0	112	E139 G141 W144 A166 H168 P218 G222 K224 C227	E139-F220 WeakPolarHBondContact O-CB 3.45Å; G141-F220 VanDerWaalsContact CA-CE1 3.49Å; G141-F220 VanDerWaalsContact CA-CZ 3.41Å; W144-F220 HydrophobicContact CB-CE1 4.36Å; W144-F220 HydrophobicContact CB-CE2 4.44Å; W144-F220 HydrophobicContact CB-CZ 3.6Å; W144-F220 HydrophobicContact CD2-CE2 4.29Å; W144-F220 AromaticContact CD2-CZ 3.86Å; W144-F220 HydrophobicContact CD2-CZ 3.86Å; W144-F220 HydrophobicContact CE3-CE2 4.01Å; W144-F220 HydrophobicContact CE3-CZ 4.05Å; W144-F220 AromaticContact CG-CZ 3.72Å; W144-F220 HydrophobicContact CG-CZ 3.72Å; A166-F220 HydrophobicContact CB-CE1 3.42Å; A166-F220 VanDerWaalsContact CB-CE1 3.42Å; A166-F220 HydrophobicContact CB-CZ 3.8Å; H168-F220 HydrophobicContact CB-CD1 4.13Å; H168-F220 WeakPolarHBondContact O-CA 3.25Å; P218-F220 HydrophobicContact CB-CD2 3.8Å; P218-F220 HydrophobicContact CB-CE2 3.39Å; P218-F220 HydrophobicContact CB-CZ 4.04Å; P218-F220 HydrophobicContact CG-CD2 3.87Å; P218-F220 HydrophobicContact CG-CE2 3.43Å; P218-F220 VanDerWaalsContact CG-CE2 3.43Å; P218-F220 HydrophobicContact CG-CZ 4.4Å; F220-G222 PolarHBondContact O-N 2.92Å; F220-K224 VanDerWaalsContact O-CA 3.31Å; F220-K224 WeakPolarHBondContact O-CA 3.47Å; F220-K224 PolarHBondContact O-N 3.22Å; F220-C227 HydrophobicContact CD2-CB 4.17Å; F220-C227 PolarHBondContact N-SG 2.82Å; F220-C227 VanDerWaalsContact N-SG 3.4Å
221	I	85.5	Confident	82.5	Confident	81 Å²	81	55.7 Å²	55.7	42%	0.415	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-38.1	-178.7	-60.7	162.1	0	0	0	111.6	H168 E170	H168-I221 HydrophobicContact CB-CD1 4.48Å; H168-I221 WeakPolarHBondContact O-CG1 3.34Å; H168-I221 PolarHBondContact O-N 3.03Å; H168-I221 VanDerWaalsContact O-N 3.09Å; E170-I221 HydrophobicContact CG-CG1 4.15Å
222	G	79	Confident	83.5	Confident	38 Å²	38	53 Å²	53	39%	0.392	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-52.8	-178.9	0	0	0	0	0	113.8	E139 N140 F220	E139-G222 WeakPolarHBondContact O-CA 3.33Å; E139-G222 PolarHBondContact O-N 2.83Å; N140-G222 WeakPolarHBondContact OD1-CA 3.33Å; F220-G222 PolarHBondContact O-N 2.92Å
223	C	81.3	Confident	84	Confident	24 Å²	24	58.6 Å²	58.6	16%	0.162	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-15.5	-174.1	50.7	0	0	0	0	114.7	N140 N225 N226 C227	N140-C223 PolarHBondContact OD1-N 2.93Å; C223-N225 PolarHBondContact O-N 2.81Å; C223-N226 PolarHBondContact O-N 3.08Å; C223-C227 VanDerWaalsContact C-SG 3.53Å; C223-C227 HydrophobicContact CB-CB 4.06Å; C223-C227 WeakPolarHBondContact CB-SG 3.13Å; C223-C227 WeakPolarHBondContact SG-CA 3.23Å; C223-C227 WeakPolarHBondContact SG-CB 3.31Å; C223-C227 CovalentContact SG-SG 2.03Å; C223-C227 PolarHBondContact SG-SG 2.82Å
224	K	82.3	Confident	83.8	Confident	142 Å²	142	56.1 Å²	56.1	62%	0.617	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	49	-107.3	179.3	-57.9	-178.7	-179.6	179.9	0	112	Y219 F220 C227	Y219-K224 WeakPolarHBondContact CD1-O 3.48Å; F220-K224 VanDerWaalsContact O-CA 3.31Å; F220-K224 WeakPolarHBondContact O-CA 3.47Å; F220-K224 PolarHBondContact O-N 3.22Å; K224-C227 PolarHBondContact O-SG 2.77Å
225	N	81.8	Confident	83.3	Confident	89 Å²	89	60.1 Å²	60.1	48%	0.476	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-84.9	-15.1	-177	-64	-11.9	0	0	0	113.5	C223 E340	C223-N225 PolarHBondContact O-N 2.81Å; N225-E340 PolarHBondContact ND2-OE1 3.17Å
226	N	79.6	Confident	82.2	Confident	150 Å²	150	62 Å²	62	80%	0.802	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-97.9	15.7	-174.7	-68	-12.2	0	0	0	112.9	C223	C223-N226 PolarHBondContact O-N 3.08Å
227	C	83.3	Confident	80.5	Confident	10 Å²	10	73 Å²	73	7%	0.068	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-68.8	151.6	178.8	-54.4	0	0	0	0	111.7	Q217 P218 F220 C223 K224	Q217-C227 PolarHBondContact NE2-O 3.09Å; P218-C227 HydrophobicContact CG-CB 3.86Å; P218-C227 WeakPolarHBondContact O-CB 3.48Å; F220-C227 HydrophobicContact CD2-CB 4.17Å; F220-C227 PolarHBondContact N-SG 2.82Å; F220-C227 VanDerWaalsContact N-SG 3.4Å; C223-C227 VanDerWaalsContact C-SG 3.53Å; C223-C227 HydrophobicContact CB-CB 4.06Å; C223-C227 WeakPolarHBondContact CB-SG 3.13Å; C223-C227 WeakPolarHBondContact SG-CA 3.23Å; C223-C227 WeakPolarHBondContact SG-CB 3.31Å; C223-C227 CovalentContact SG-SG 2.03Å; C223-C227 PolarHBondContact SG-SG 2.82Å; K224-C227 PolarHBondContact O-SG 2.77Å
228	E	84.3	Confident	78.6	Confident	127 Å²	127	77.5 Å²	77.5	59%	0.593	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-75	131.8	179.3	-166.8	-179.7	147.1	0	0	111.9	K127 P218	K127-E228 WeakPolarHBondContact CE-OE2 3.31Å; K127-E228 IonicContact NZ-OE1 3.62Å; K127-E228 PolarHBondContact NZ-OE1 2.88Å; K127-E228 IonicContact NZ-OE2 2.84Å; K127-E228 PolarHBondContact NZ-OE2 3.1Å; P218-E228 WeakPolarHBondContact CD-O 3.29Å
229	S	87.3	Confident	76	Confident	29 Å²	29	84.6 Å²	84.6	20%	0.203	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-81.8	136.1	179.3	75	0	0	0	0	112.3	I216 K231	I216-S229 CarbonylContact O-C 3.59Å; I216-S229 WeakPolarHBondContact O-CA 3.26Å; S229-K231 WeakPolarHBondContact OG-CE 3.34Å
230	A	87.2	Confident	73.6	Confident	19 Å²	19	89.9 Å²	89.9	16%	0.157	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.7	169.4	0	0	0	0	0	111	W144 P146 I148 Q215 I216	W144-A230 HydrophobicContact CH2-CB 3.93Å; W144-A230 HydrophobicContact CZ3-CB 4.12Å; P146-A230 HydrophobicContact CG-CB 3.53Å; I148-A230 HydrophobicContact CD1-CB 3.93Å; Q215-A230 CarbonylContact C-O 3.55Å; Q215-A230 WeakPolarHBondContact CA-O 3.08Å; I216-A230 PolarHBondContact N-O 2.96Å; I216-A230 PolarHBondContact O-N 2.86Å
231	K	87.5	Confident	71.4	Confident	133 Å²	133	93.7 Å²	93.7	58%	0.578	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.1	-176.8	-62	-179	-177.3	179.5	0	111.9	L214 Q215 S229	L214-K231 CarbonylContact O-C 3.53Å; L214-K231 VanDerWaalsContact O-CA 3.24Å; L214-K231 WeakPolarHBondContact O-CA 3.45Å; Q215-K231 HydrophobicContact CB-CG 4.23Å; Q215-K231 HydrophobicContact CG-CG 4.16Å; S229-K231 WeakPolarHBondContact OG-CE 3.34Å
232	K	85.3	Confident	69.2	Low	76 Å²	76	94.9 Å²	94.9	33%	0.33	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.1	173.8	-173.3	173.2	-175.4	-178.5	0	111.1	I148 L214	I148-K232 HydrophobicContact CB-CB 4.46Å; I148-K232 HydrophobicContact CB-CD 3.92Å; I148-K232 HydrophobicContact CD1-CB 4.27Å; I148-K232 HydrophobicContact CG2-CB 4.19Å; I148-K232 HydrophobicContact CG2-CD 3.73Å; I148-K232 WeakPolarHBondContact O-CD 3.48Å; I148-K232 PolarHBondContact O-NZ 3.08Å; L214-K232 HydrophobicContact CB-CB 4.48Å; L214-K232 WeakPolarHBondContact CB-O 3.35Å; L214-K232 PolarHBondContact N-O 2.92Å; L214-K232 PolarHBondContact O-N 2.89Å
233	N	83.4	Confident	67.2	Low	122 Å²	122	102.9 Å²	102.9	65%	0.652	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	134.5	176.2	-63.4	-20.8	0	0	0	110.5	F212	F212-N233 CarbonylContact O-C 3.6Å; F212-N233 WeakPolarHBondContact O-CA 3.37Å
234	I	76.1	Confident	65	Low	16 Å²	16	109.5 Å²	109.5	8%	0.082	55%	0.55	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.5	177.7	-54	165	0	0	0	108.1	A150 L152 I159 F212 L214	A150-I234 HydrophobicContact CB-CD1 3.44Å; A150-I234 VanDerWaalsContact CB-CD1 3.44Å; A150-I234 HydrophobicContact CB-CG1 4.03Å; L152-I234 HydrophobicContact CD1-CG2 3.64Å; I159-I234 HydrophobicContact CG2-CD1 4.35Å; F212-I234 HydrophobicContact CB-CB 4.23Å; F212-I234 PolarHBondContact N-O 3.5Å; F212-I234 PolarHBondContact O-N 2.81Å; L214-I234 HydrophobicContact CB-CD1 4.15Å; L214-I234 HydrophobicContact CD2-CD1 4.39Å
235	T	70.7	Confident	63.1	Low	84 Å²	84	110 Å²	110	52%	0.515	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.2	127.4	178	54.8	0	0	0	0	110.3	R237	T235-R237 PolarHBondContact O-N 3.46Å
236	R	62.3	Low	61.4	Low	79 Å²	79	113.9 Å²	113.9	30%	0.298	58%	0.579	S	S	.	*			trans	-77.5	108.1	170.7	-169	179.7	-166.4	164	12.4	108.9	L152 D157	L152-R236 HydrophobicContact CD2-CB 4.28Å; L152-R236 HydrophobicContact CD2-CG 4Å; D157-R236 IonicContact OD1-CZ 3.54Å; D157-R236 IonicContact OD1-NH1 3.7Å; D157-R236 IonicContact OD1-NH2 2.76Å; D157-R236 PolarHBondContact OD1-NH2 2.98Å
237	R	50.5	Low	59.4	Low	229 Å²	229	111.7 Å²	111.7	86%	0.864	58%	0.575	S	S	*	*			trans	-84.5	114.5	164.6	-79.8	-172.7	-176.1	-179.7	1.8	108.2	T235	T235-R237 PolarHBondContact O-N 3.46Å
238	Q	45	Very low	57.4	Low	121 Å²	121	119.5 Å²	119.5	57%	0.565	62%	0.615	S	S	*	*			trans	-79.7	128.4	158.8	-71.3	-175.2	-5.3	0	0	107.8	L240	Q238-L240 PolarHBondContact O-N 2.96Å
239	N	33.9	Very low	55.7	Low	148 Å²	148	121.3 Å²	121.3	79%	0.791	63%	0.625	S	S	*	*			trans	-63.8	101.8	163.8	-84	-23.9	0	0	0	107.5	S241	N239-S241 PolarHBondContact O-N 3.18Å
240	L	34.2	Very low	53.9	Low	165 Å²	165	126.9 Å²	126.9	86%	0.864	66%	0.659	S	S	*	*			trans	-77.1	63.1	164	-155.4	86.5	0	0	0	108.2	Q238	Q238-L240 PolarHBondContact O-N 2.96Å
241	S	38.2	Very low	51.9	Low	86 Å²	86	129 Å²	129	60%	0.601	68%	0.683	S	S	*	*			trans	-97	128.6	167.3	55.6	0	0	0	0	108.3	N239	N239-S241 PolarHBondContact O-N 3.18Å
242	S	40.3	Very low	50.4	Low	105 Å²	105	128.3 Å²	128.3	73%	0.734	69%	0.694	S	S	*	*	S	Bend	trans	65.9	91.9	172.4	49.5	0	0	0	0	116.3
243	F	37	Very low	48.7	Very low	207 Å²	207	136 Å²	136	91%	0.908	72%	0.721	S	S	*	*			trans	178.8	65.3	132.4	-108.8	-80.3	0	0	0	109.4
244	L	34.3	Very low	47.4	Very low	162 Å²	162	134.4 Å²	134.4	85%	0.848	72%	0.72	S	S	*	*			trans	-150.9	62.1	167.5	-111.3	153.7	0	0	0	108.4
245	D	42.5	Very low	46.5	Very low	154 Å²	154	139.7 Å²	139.7	82%	0.824	75%	0.747	S	S	*	*			trans	-147.9	139.4	154.8	-100.4	-33.5	0	0	0	108.4
246	I	46	Very low	45.6	Very low	170 Å²	170	144.2 Å²	144.2	87%	0.872	76%	0.759	S	S	*	*	S	Bend	trans	83.9	85.6	178.6	-42.3	164.9	0	0	0	115.1
247	S	38.4	Very low	45.3	Very low	104 Å²	104	146.2 Å²	146.2	73%	0.727	78%	0.775	S	S	*	*				170.4	88.3	115.1	-178.4	0	0	0	0	109.3
248	L	41.9	Very low	45.5	Very low	173 Å²	173	138.9 Å²	138.9	91%	0.906	76%	0.758	S	S	*	*			trans	-118.9	65.9	165.6	-145.5	102.2	0	0	0	109.2
249	M	46.9	Very low	46.1	Very low	165 Å²	165	138.6 Å²	138.6	81%	0.813	76%	0.759	S	S	*	*	S	Bend	trans	-145.8	124.7	157.2	-81.9	-55.5	-140.3	0	0	109.4
250	T	51.3	Low	47.3	Very low	147 Å²	147	135.9 Å²	135.9	90%	0.902	75%	0.748	S	S	*	*			trans	99.1	74	173.3	72.7	0	0	0	0	117.1
251	G	44.6	Very low	48.4	Very low	64 Å²	64	134.8 Å²	134.8	66%	0.66	74%	0.736	S	S	*	*			trans	-140	37.8	169.6	0	0	0	0	0	114.2
252	S	55.3	Low	49.3	Very low	117 Å²	117	135.5 Å²	135.5	82%	0.818	73%	0.733	S	S	*	*	S	Bend	trans	-112.4	28	-177.3	-168	0	0	0	0	114.3
253	R	50.9	Low	49.8	Very low	238 Å²	238	137.9 Å²	137.9	90%	0.898	73%	0.73	S	S	*	*	S	Bend	trans	-138.6	9.4	175.6	-77	-158	156.3	145.8	-1.7	117.7
254	S	55.4	Low	50.7	Low	89 Å²	89	133.6 Å²	133.6	62%	0.622	72%	0.716	S	S	*	*	S	Bend	trans	-103.1	-12.7	-175.3	-33.7	0	0	0	0	114.5	K256	S254-K256 PolarHBondContact O-N 3.07Å
255	I	56	Low	51.5	Low	127 Å²	127	129.8 Å²	129.8	65%	0.651	70%	0.701	S	S	*	*	H	α-helix	trans	-77.8	-23.4	-171.5	-64.7	169.9	0	0	0	112.5
256	K	53.7	Low	51.6	Low	179 Å²	179	127.6 Å²	127.6	78%	0.778	70%	0.697	S	S	*	*	H	α-helix	trans	-79.6	-23.6	-178.8	-66.2	-170.4	-179.8	-174	0	114.1	S254	S254-K256 PolarHBondContact O-N 3.07Å
257	I	55.4	Low	51.5	Low	121 Å²	121	129.6 Å²	129.6	62%	0.621	69%	0.694	S	S	*	*	H	α-helix	trans	-80.8	-32.9	178.1	-65.1	171.7	0	0	0	110.7	L259 V260 F261	I257-L259 PolarHBondContact O-N 3.2Å; I257-V260 PolarHBondContact O-N 3.25Å; I257-F261 PolarHBondContact O-N 3.45Å
258	C	55	Low	51.7	Low	75 Å²	75	133.9 Å²	133.9	51%	0.507	70%	0.699	S	S	.	*	H	α-helix	trans	-68.3	-36	180	-153.5	0	0	0	0	112.5	F261 L262	C258-F261 PolarHBondContact O-N 3.39Å; C258-L262 WeakPolarHBondContact O-CB 3.15Å; C258-L262 WeakPolarHBondContact O-CD1 3.3Å; C258-L262 WeakPolarHBondContact O-CG 3.27Å; C258-L262 PolarHBondContact O-N 3.46Å
259	L	56	Low	51.5	Low	114 Å²	114	136.6 Å²	136.6	60%	0.597	70%	0.698	S	S	*	*	H	α-helix	trans	-69.8	-32.2	178.8	-69.8	170.8	0	0	0	113.2	I257 F263	I257-L259 PolarHBondContact O-N 3.2Å; L259-F263 PolarHBondContact O-N 2.99Å
260	V	60.4	Low	51.1	Low	91 Å²	91	137.1 Å²	137.1	55%	0.552	70%	0.703	S	S	*	*	H	α-helix	trans	-75.4	-36.4	175.9	178.1	0	0	0	0	111.2	I257 F263 I264	I257-V260 PolarHBondContact O-N 3.25Å; V260-F263 PolarHBondContact O-N 3.24Å; V260-I264 HydrophobicContact CG1-CD1 4.17Å; V260-I264 WeakPolarHBondContact O-CG1 3.3Å; V260-I264 PolarHBondContact O-N 3.06Å
261	F	57.5	Low	50.1	Low	143 Å²	143	136.5 Å²	136.5	63%	0.627	70%	0.699	S	S	*	*	H	α-helix	trans	-67.1	-40.1	175.6	-121.3	-89.2	0	0	0	112.6	I257 C258 F263 I264 C265	I257-F261 PolarHBondContact O-N 3.45Å; C258-F261 PolarHBondContact O-N 3.39Å; F261-F263 VanDerWaalsContact C-N 3.32Å; F261-F263 PolarHBondContact O-N 3.12Å; F261-I264 PolarHBondContact O-N 3.39Å; F261-C265 PolarHBondContact O-N 3.04Å; F261-C265 PolarHBondContact O-SG 2.88Å
262	L	55.9	Low	49.2	Very low	100 Å²	100	143.3 Å²	143.3	52%	0.524	71%	0.71	S	S	.	*	H	α-helix	trans	-64	-36.5	175.3	-82.3	159.6	0	0	0	112.1	C258 I264 C265 C266	C258-L262 WeakPolarHBondContact O-CB 3.15Å; C258-L262 WeakPolarHBondContact O-CD1 3.3Å; C258-L262 WeakPolarHBondContact O-CG 3.27Å; C258-L262 PolarHBondContact O-N 3.46Å; L262-I264 VanDerWaalsContact C-N 3.34Å; L262-I264 PolarHBondContact O-N 3.04Å; L262-C265 PolarHBondContact O-N 3.36Å; L262-C266 PolarHBondContact O-N 2.91Å; L262-C266 VanDerWaalsContact O-N 3.15Å; L262-C266 PolarHBondContact O-SG 3.13Å; L262-C266 VanDerWaalsContact O-SG 3.4Å
263	F	51.9	Low	47.9	Very low	155 Å²	155	143.7 Å²	143.7	68%	0.68	71%	0.707	S	S	*	*	H	α-helix	trans	-69.3	-31	178.3	-142.7	-93.9	0	0	0	113.1	L259 V260 F261	L259-F263 PolarHBondContact O-N 2.99Å; V260-F263 PolarHBondContact O-N 3.24Å; F261-F263 VanDerWaalsContact C-N 3.32Å; F261-F263 PolarHBondContact O-N 3.12Å
264	I	56.2	Low	46.7	Very low	118 Å²	118	136.7 Å²	136.7	61%	0.605	70%	0.695	S	S	*	*	H	α-helix	trans	-79.4	-36.8	177.3	-65.2	168.3	0	0	0	111.1	V260 F261 L262	V260-I264 HydrophobicContact CG1-CD1 4.17Å; V260-I264 WeakPolarHBondContact O-CG1 3.3Å; V260-I264 PolarHBondContact O-N 3.06Å; F261-I264 PolarHBondContact O-N 3.39Å; L262-I264 VanDerWaalsContact C-N 3.34Å; L262-I264 PolarHBondContact O-N 3.04Å
265	C	50.2	Low	45.3	Very low	81 Å²	81	141.7 Å²	141.7	55%	0.547	71%	0.706	S	S	.	*	H	α-helix	trans	-71.2	-29.6	177.9	-73.7	0	0	0	0	113.5	F261 L262 R267 K268	F261-C265 PolarHBondContact O-N 3.04Å; F261-C265 PolarHBondContact O-SG 2.88Å; L262-C265 PolarHBondContact O-N 3.36Å; C265-R267 PolarHBondContact O-N 3.29Å; C265-K268 PolarHBondContact O-N 2.96Å
266	C	43.7	Very low	43.9	Very low	109 Å²	109	142.2 Å²	142.2	74%	0.736	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-9	178.8	-77.8	0	0	0	0	114.8	L262	L262-C266 PolarHBondContact O-N 2.91Å; L262-C266 VanDerWaalsContact O-N 3.15Å; L262-C266 PolarHBondContact O-SG 3.13Å; L262-C266 VanDerWaalsContact O-SG 3.4Å
267	R	45.8	Very low	42.6	Very low	212 Å²	212	138.3 Å²	138.3	80%	0.8	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	1	176.3	-77.4	-168.2	173.1	-178.3	-1	115.1	C265	C265-R267 PolarHBondContact O-N 3.29Å
268	K	42.3	Very low	41.2	Very low	194 Å²	194	140 Å²	140	84%	0.843	72%	0.715	S	S	*	*			trans	-129.7	87.2	174.2	-71.1	-170.8	178	-178.1	0	111.1	C265	C265-K268 PolarHBondContact O-N 2.96Å
269	R	37.4	Very low	40	Very low	230 Å²	230	140.6 Å²	140.6	87%	0.868	73%	0.725	S	S	*	*			trans	-148.6	100.6	160.7	-131.6	-178.3	-169.7	-179.8	4.8	111.2
270	L	38.7	Very low	39	Very low	176 Å²	176	142.1 Å²	142.1	92%	0.921	74%	0.738	S	S	*	*			trans	-162.6	73.4	148.5	-110.8	139.5	0	0	0	110.1
271	T	29.2	Very low	38.3	Very low	133 Å²	133	145.6 Å²	145.6	82%	0.816	75%	0.749	S	S	*	*			trans	-155.1	100.4	142.1	38.3	0	0	0	0	107	V273	T271-V273 PolarHBondContact O-N 3.26Å
272	K	26.2	Very low	38.3	Very low	208 Å²	208	146.4 Å²	146.4	90%	0.904	75%	0.754	S	S	*	*			trans	-87.3	88.7	175.3	-154.2	-179.3	-171	-176.4	0	106.4	S274	K272-S274 PolarHBondContact O-N 3.25Å
273	V	28.2	Very low	39.3	Very low	125 Å²	125	150.7 Å²	150.7	76%	0.758	76%	0.763	S	S	*	*			trans	-75.3	106.4	159.9	176.9	0	0	0	0	105.5	T271 F275	T271-V273 PolarHBondContact O-N 3.26Å; V273-F275 PolarHBondContact O-N 3.2Å
274	S	25.8	Very low	41	Very low	90 Å²	90	145.7 Å²	145.7	63%	0.629	74%	0.742	S	S	*	*			trans	-68.5	96.8	167.8	48	0	0	0	0	108.1	K272 L276	K272-S274 PolarHBondContact O-N 3.25Å; S274-L276 VanDerWaalsContact C-N 3.27Å; S274-L276 PolarHBondContact O-N 3.19Å; S274-L276 VanDerWaalsContact O-N 3.07Å
275	F	25.5	Very low	42.6	Very low	194 Å²	194	143.5 Å²	143.5	85%	0.851	73%	0.726	S	S	*	*			trans	-71.8	93.9	157.9	-152.9	-93.8	0	0	0	106	V273 S277	V273-F275 PolarHBondContact O-N 3.2Å; F275-S277 PolarHBondContact O-N 3.22Å; F275-S277 VanDerWaalsContact O-N 3.13Å
276	L	27.2	Very low	44.6	Very low	139 Å²	139	139.7 Å²	139.7	73%	0.728	70%	0.7	S	S	*	*			trans	-64.2	110.4	166.8	-97.6	120.9	0	0	0	106.6	S274 N278	S274-L276 VanDerWaalsContact C-N 3.27Å; S274-L276 PolarHBondContact O-N 3.19Å; S274-L276 VanDerWaalsContact O-N 3.07Å; L276-N278 PolarHBondContact O-N 3.06Å
277	S	26.3	Very low	47	Very low	96 Å²	96	134.7 Å²	134.7	67%	0.671	67%	0.666	S	S	*	*			trans	-52.1	119.6	156.2	53.7	0	0	0	0	107.2	F275 A279	F275-S277 PolarHBondContact O-N 3.22Å; F275-S277 VanDerWaalsContact O-N 3.13Å; S277-A279 VanDerWaalsContact C-N 3.32Å; S277-A279 PolarHBondContact O-N 3.19Å
278	N	26.6	Very low	49.4	Very low	158 Å²	158	124.8 Å²	124.8	85%	0.845	63%	0.629	S	S	*	*			trans	-56.3	99	170.6	-75.5	-27.2	0	0	0	108.1	L276 V280	L276-N278 PolarHBondContact O-N 3.06Å; N278-V280 PolarHBondContact O-N 3.14Å
279	A	29.1	Very low	51.9	Low	87 Å²	87	115.9 Å²	115.9	72%	0.719	59%	0.59	S	S	*	*			trans	-57.5	121.5	157.9	0	0	0	0	0	105.6	S277 Q281	S277-A279 VanDerWaalsContact C-N 3.32Å; S277-A279 PolarHBondContact O-N 3.19Å; A279-Q281 VanDerWaalsContact C-N 3.28Å; A279-Q281 PolarHBondContact O-N 3.35Å
280	V	35.8	Very low	54.7	Low	145 Å²	145	105.1 Å²	105.1	88%	0.879	55%	0.55	S	S	*	.			trans	-59.7	100.6	168.6	173.9	0	0	0	0	105.6	N278 E282	N278-V280 PolarHBondContact O-N 3.14Å; V280-E282 PolarHBondContact O-N 2.94Å; V280-E282 VanDerWaalsContact O-N 3.13Å
281	Q	45.4	Very low	57.5	Low	164 Å²	164	96.7 Å²	96.7	77%	0.766	51%	0.506	S	S	*	.			trans	-65.2	115	178	-172	164.3	-5.2	0	0	107	A279 R283	A279-Q281 VanDerWaalsContact C-N 3.28Å; A279-Q281 PolarHBondContact O-N 3.35Å; Q281-R283 PolarHBondContact O-N 3.48Å; Q281-R283 VanDerWaalsContact O-N 3.08Å
282	E	57.8	Low	60.6	Low	160 Å²	160	90.5 Å²	90.5	75%	0.748	47%	0.467	S	S	*	.			trans	-56	114.6	177.4	-161.9	173.1	-155.7	0	0	108.5	V280 K284	V280-E282 PolarHBondContact O-N 2.94Å; V280-E282 VanDerWaalsContact O-N 3.13Å; E282-K284 PolarHBondContact O-N 2.81Å
283	R	75.6	Confident	63.9	Low	190 Å²	190	80.6 Å²	80.6	72%	0.717	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-67.3	127.3	-177.2	-69	-173.6	-179.9	-178.7	-0.2	108.7	Q281 G313	Q281-R283 PolarHBondContact O-N 3.48Å; Q281-R283 VanDerWaalsContact O-N 3.08Å; R283-G313 WeakPolarHBondContact CD-O 3.35Å; R283-G313 WeakPolarHBondContact CG-O 3.3Å
284	K	87.3	Confident	67.1	Low	51 Å²	51	75.2 Å²	75.2	22%	0.222	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-70.8	139.9	174.3	-63.9	-58.4	-176.1	-171.4	0	109.9	E282 T314 D315 S346 I441 L442	E282-K284 PolarHBondContact O-N 2.81Å; K284-T314 CarbonylContact O-C 3.57Å; K284-T314 WeakPolarHBondContact O-CA 3.43Å; K284-T314 VanDerWaalsContact O-CG2 3.29Å; K284-T314 WeakPolarHBondContact O-CG2 3.42Å; K284-D315 PolarHBondContact O-N 3.25Å; K284-S346 PolarHBondContact NZ-OG 2.96Å; K284-I441 HydrophobicContact CB-CG2 4.15Å; K284-L442 HydrophobicContact CG-CD2 4Å
285	R	89.9	Confident	70.4	Confident	72 Å²	72	78.8 Å²	78.8	27%	0.272	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	144.2	178.3	177.1	-177.8	-71.6	166.5	2.5	111.2	D315 V317 D347 K348	R285-D315 CarbonylContact C-O 3.57Å; R285-D315 WeakPolarHBondContact CA-O 3.41Å; R285-D315 HydrophobicContact CB-CB 4.09Å; R285-D315 HydrophobicContact CG-CB 4.36Å; R285-D315 WeakPolarHBondContact CG-O 3.32Å; R285-D315 IonicContact CZ-OD2 3.59Å; R285-D315 IonicContact NE-OD2 3.71Å; R285-D315 PolarHBondContact NE-OD2 3.2Å; R285-D315 IonicContact NH2-OD2 2.82Å; R285-D315 PolarHBondContact NH2-OD2 3.01Å; R285-V317 HydrophobicContact CG-CG2 3.88Å; R285-D347 HydrophobicContact CB-CB 4.31Å; R285-D347 PolarHBondContact N-OD1 3.24Å; R285-D347 VanDerWaalsContact O-CB 3.29Å; R285-D347 WeakPolarHBondContact O-CB 3.29Å; R285-K348 PolarHBondContact O-N 2.97Å
286	V	93.4	Very high	73.9	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.5	175.8	177.1	0	0	0	0	110.3	V288 T314 D315 V317 K348 L350 I441	V286-V288 HydrophobicContact CG1-CG2 4.23Å; V286-T314 HydrophobicContact CB-CG2 4.07Å; V286-T314 HydrophobicContact CG2-CG2 3.63Å; V286-D315 PolarHBondContact N-O 2.97Å; V286-V317 PolarHBondContact O-N 3.19Å; V286-K348 WeakPolarHBondContact CA-O 3.18Å; V286-L350 HydrophobicContact CG1-CB 3.63Å; V286-L350 HydrophobicContact CG1-CD2 4.47Å; V286-I441 HydrophobicContact CG2-CB 4.16Å; V286-I441 HydrophobicContact CG2-CD1 3.92Å; V286-I441 HydrophobicContact CG2-CG1 3.7Å; V286-I441 HydrophobicContact CG2-CG2 3.44Å; V286-I441 VanDerWaalsContact CG2-CG2 3.44Å
287	L	94.4	Very high	77.2	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123	168	172.5	66.8	0	0	0	109.5	I289 V317 W334 H338 I342 K348 I349 L350	L287-I289 HydrophobicContact CD2-CD1 4.29Å; L287-I289 HydrophobicContact CD2-CG1 4.4Å; L287-I289 HydrophobicContact CG-CG1 4.24Å; L287-V317 HydrophobicContact CB-CB 4.47Å; L287-V317 HydrophobicContact CD1-CB 4.02Å; L287-V317 HydrophobicContact CD1-CG1 3.52Å; L287-W334 HydrophobicContact CD1-CH2 3.63Å; L287-W334 HydrophobicContact CD1-CZ3 3.88Å; L287-H338 HydrophobicContact CD1-CB 4.41Å; L287-H338 HydrophobicContact CD2-CB 4.05Å; L287-I342 HydrophobicContact CB-CD1 3.48Å; L287-I342 VanDerWaalsContact CB-CD1 3.48Å; L287-I342 HydrophobicContact CD2-CD1 4.1Å; L287-I342 HydrophobicContact CG-CD1 4.44Å; L287-K348 PolarHBondContact N-O 3.04Å; L287-I349 HydrophobicContact CB-CG1 4.47Å; L287-I349 HydrophobicContact CD2-CG1 4.36Å; L287-I349 CarbonylContact O-C 3.59Å; L287-I349 WeakPolarHBondContact O-CA 3.39Å; L287-L350 PolarHBondContact O-N 3.45Å
288	V	95.4	Very high	80.5	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.4	179.2	-177.9	0	0	0	0	109.9	V286 Y290 V316 V317 L318 L350 L352	V286-V288 HydrophobicContact CG1-CG2 4.23Å; V288-Y290 HydrophobicContact CG1-CD1 4.37Å; V288-V316 HydrophobicContact CG2-CG1 3.85Å; V288-V317 PolarHBondContact N-O 2.97Å; V288-L318 HydrophobicContact CB-CD1 3.86Å; V288-L318 HydrophobicContact CG1-CD1 4.01Å; V288-L350 WeakPolarHBondContact CA-O 3.45Å; V288-L350 HydrophobicContact CG2-CD2 4.44Å; V288-L352 HydrophobicContact CG1-CD1 3.58Å; V288-L352 HydrophobicContact CG1-CG 4.04Å
289	I	95	Very high	83.8	Confident	8 Å²	8	58.2 Å²	58.2	4%	0.041	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.3	176.5	-61.1	175.9	0	0	0	108.1	L287 I349 L350 I351 L352 L384 L391	L287-I289 HydrophobicContact CD2-CD1 4.29Å; L287-I289 HydrophobicContact CD2-CG1 4.4Å; L287-I289 HydrophobicContact CG-CG1 4.24Å; I289-I349 HydrophobicContact CD1-CG2 3.56Å; I289-I349 HydrophobicContact CG1-CG2 4.19Å; I289-L350 PolarHBondContact N-O 3.21Å; I289-I351 HydrophobicContact CB-CG1 4.5Å; I289-I351 CarbonylContact O-C 3.58Å; I289-I351 WeakPolarHBondContact O-CA 3.09Å; I289-L352 PolarHBondContact O-N 3.15Å; I289-L384 HydrophobicContact CG2-CD1 3.62Å; I289-L391 HydrophobicContact CD1-CD1 3.42Å; I289-L391 VanDerWaalsContact CD1-CD1 3.42Å
290	Y	96.1	Very high	87.1	Confident	3 Å²	3	54 Å²	54	1%	0.012	25%	0.246	C	C	.	.			trans	-156.1	170.3	-172.8	69.5	-73.6	0	0	0	110.2	V288 L292 V301 L318 D319 L320	V288-Y290 HydrophobicContact CG1-CD1 4.37Å; Y290-L292 HydrophobicContact CE2-CD2 3.61Å; Y290-L292 HydrophobicContact CE2-CG 3.9Å; Y290-V301 HydrophobicContact CD1-CG1 3.96Å; Y290-V301 HydrophobicContact CD2-CB 4.25Å; Y290-V301 HydrophobicContact CD2-CG1 3.98Å; Y290-V301 HydrophobicContact CD2-CG2 3.7Å; Y290-V301 HydrophobicContact CE1-CG1 4.1Å; Y290-V301 HydrophobicContact CE2-CB 4.37Å; Y290-V301 HydrophobicContact CE2-CG1 4.06Å; Y290-V301 HydrophobicContact CE2-CG2 4.26Å; Y290-V301 HydrophobicContact CG-CG1 3.94Å; Y290-V301 HydrophobicContact CG-CG2 4.06Å; Y290-L318 HydrophobicContact CD1-CD1 3.78Å; Y290-L318 HydrophobicContact CE1-CD1 3.36Å; Y290-L318 HydrophobicContact CE1-CG 4.23Å; Y290-D319 WeakPolarHBondContact CE1-OD1 3.47Å; Y290-D319 VanDerWaalsContact CZ-OD1 3.31Å; Y290-D319 PolarHBondContact OH-OD1 3.27Å; Y290-D319 PolarHBondContact OH-OD2 2.6Å; Y290-L320 VanDerWaalsContact OH-CD1 3.25Å; Y290-L320 WeakPolarHBondContact OH-CD1 3.42Å; Y290-L320 WeakPolarHBondContact OH-CG 3.26Å
291	S	96.3	Very high	90	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	20%	0.204	C	C	.	.			trans	-103.1	139.4	172.9	-174.5	0	0	0	0	111	D293 Y297	S291-D293 WeakPolarHBondContact CB-OD1 3.48Å; S291-D293 PolarHBondContact O-N 2.81Å; S291-D293 PolarHBondContact OG-OD1 3.29Å; S291-Y297 WeakPolarHBondContact O-CD1 3.29Å; S291-Y297 WeakPolarHBondContact O-CE1 3.28Å
292	L	94.4	Very high	92.4	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	18%	0.182	C	C	.	.			trans	-80.1	69.6	172.3	-74	167.4	0	0	0	110.8	Y290 K298 E374	Y290-L292 HydrophobicContact CE2-CD2 3.61Å; Y290-L292 HydrophobicContact CE2-CG 3.9Å; L292-K298 HydrophobicContact CD2-CB 4.08Å; L292-K298 HydrophobicContact CD2-CD 3.96Å; L292-K298 HydrophobicContact CD2-CG 3.88Å; L292-E374 HydrophobicContact CB-CB 4Å
293	D	95.3	Very high	94.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	16%	0.163	C	C	.	.			trans	-68.9	-37.4	-172.8	-70	4	0	0	0	114.2	S291 Y297 S354 R355 G356 W489 F490	S291-D293 WeakPolarHBondContact CB-OD1 3.48Å; S291-D293 PolarHBondContact O-N 2.81Å; S291-D293 PolarHBondContact OG-OD1 3.29Å; D293-Y297 HydrophobicContact CB-CD1 4.12Å; D293-Y297 HydrophobicContact CB-CG 4.38Å; D293-S354 VanDerWaalsContact CG-OG 3.26Å; D293-S354 PolarHBondContact OD1-OG 2.89Å; D293-S354 WeakPolarHBondContact OD2-CB 3.41Å; D293-S354 PolarHBondContact OD2-OG 3.39Å; D293-R355 PolarHBondContact OD2-N 3.24Å; D293-G356 WeakPolarHBondContact OD1-CA 3.12Å; D293-G356 PolarHBondContact OD1-N 3.36Å; D293-G356 PolarHBondContact OD2-N 3.33Å; D293-W489 HydrophobicContact CB-CH2 4.05Å; D293-W489 HydrophobicContact CB-CZ3 4.06Å; D293-F490 HydrophobicContact CB-CE2 4.5Å
294	H	96.6	Very high	95.3	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.056	13%	0.129	C	C	.	.			trans	-166.7	155.3	-176.4	-179	-116.7	0	0	0	109.2	L296 Y297 K298 F479 Y482 W489 E493	H294-L296 WeakPolarHBondContact ND1-CB 3.25Å; H294-L296 PolarHBondContact ND1-N 3.05Å; H294-L296 PolarHBondContact O-N 3.41Å; H294-Y297 WeakPolarHBondContact O-CB 3.19Å; H294-Y297 PolarHBondContact O-N 3.38Å; H294-K298 PolarHBondContact O-N 3.5Å; H294-F479 HydrophobicContact CB-CE2 4.08Å; H294-F479 HydrophobicContact CB-CZ 4.23Å; H294-F479 AromaticContact ND1-CD2 3.93Å; H294-F479 AromaticContact ND1-CE2 3.54Å; H294-Y482 AromaticContact CE1-CD1 3.77Å; H294-Y482 AromaticContact CE1-CE1 3.44Å; H294-Y482 VanDerWaalsContact CE1-CE1 3.44Å; H294-Y482 WeakPolarHBondContact CE1-CE1 3.37Å; H294-Y482 AromaticContact CE1-CZ 3.89Å; H294-Y482 AromaticContact NE2-CE1 3.67Å; H294-Y482 AromaticContact NE2-CZ 3.87Å; H294-W489 HydrophobicContact CB-CE3 4.11Å; H294-W489 HydrophobicContact CB-CZ3 3.85Å; H294-E493 HydrophobicContact CB-CG 4.47Å; H294-E493 IonicContact CD2-OE1 2.97Å
295	R	95.8	Very high	95.7	Very high	165 Å²	165	27 Å²	27	62%	0.623	12%	0.12	S	C	*	.	H	α-helix	trans	-54.8	-36.5	178.6	-174.4	174.6	61.2	109.3	1.1	113.7	K298 N299	R295-K298 WeakPolarHBondContact O-CB 3.31Å; R295-N299 PolarHBondContact O-N 3.47Å
296	L	97.4	Very high	95.9	Very high	36 Å²	36	25.9 Å²	25.9	19%	0.188	13%	0.126	C	C	.	.	H	α-helix	trans	-72	-36.3	176.9	-63	177.3	0	0	0	112	H294 N299 I300 F479 Y482	H294-L296 WeakPolarHBondContact ND1-CB 3.25Å; H294-L296 PolarHBondContact ND1-N 3.05Å; H294-L296 PolarHBondContact O-N 3.41Å; L296-N299 WeakPolarHBondContact O-CB 3.13Å; L296-N299 PolarHBondContact O-N 2.88Å; L296-I300 PolarHBondContact O-N 3.42Å; L296-I300 VanDerWaalsContact O-N 3.12Å; L296-F479 HydrophobicContact CB-CB 3.92Å; L296-F479 HydrophobicContact CB-CD2 3.55Å; L296-F479 HydrophobicContact CB-CE2 4.33Å; L296-F479 HydrophobicContact CB-CG 3.93Å; L296-F479 HydrophobicContact CD1-CD2 4.04Å; L296-F479 HydrophobicContact CG-CD2 4.42Å; L296-Y482 HydrophobicContact CD1-CD1 4.07Å; L296-Y482 HydrophobicContact CD1-CD2 4.19Å; L296-Y482 HydrophobicContact CD1-CG 3.67Å
297	Y	97.4	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-39.9	174.1	-171.3	-106	0	0	0	111.7	S291 D293 H294 N299 I300 V301 S354 F409 F479	S291-Y297 WeakPolarHBondContact O-CD1 3.29Å; S291-Y297 WeakPolarHBondContact O-CE1 3.28Å; D293-Y297 HydrophobicContact CB-CD1 4.12Å; D293-Y297 HydrophobicContact CB-CG 4.38Å; H294-Y297 WeakPolarHBondContact O-CB 3.19Å; H294-Y297 PolarHBondContact O-N 3.38Å; Y297-N299 PolarHBondContact O-N 2.9Å; Y297-I300 HydrophobicContact CD2-CD1 4.25Å; Y297-I300 WeakPolarHBondContact O-CB 3.34Å; Y297-I300 PolarHBondContact O-N 2.82Å; Y297-V301 HydrophobicContact CD1-CG2 4.3Å; Y297-V301 HydrophobicContact CE1-CG2 3.94Å; Y297-V301 PolarHBondContact O-N 3.25Å; Y297-S354 WeakPolarHBondContact OH-CB 3.4Å; Y297-F409 HydrophobicContact CE2-CD2 4.41Å; Y297-F479 HydrophobicContact CD2-CD1 4.1Å; Y297-F479 AromaticContact CD2-CE1 3.75Å; Y297-F479 HydrophobicContact CD2-CE1 3.75Å; Y297-F479 HydrophobicContact CG-CE1 4.16Å
298	K	95.2	Very high	95.9	Very high	56 Å²	56	25.7 Å²	25.7	24%	0.243	13%	0.125	C	C	.	.	H	α-helix	trans	-54.1	-41.5	170.4	179.9	-178.8	-176.3	169.5	0	112	L292 H294 R295 V301 L302 L320	L292-K298 HydrophobicContact CD2-CB 4.08Å; L292-K298 HydrophobicContact CD2-CD 3.96Å; L292-K298 HydrophobicContact CD2-CG 3.88Å; H294-K298 PolarHBondContact O-N 3.5Å; R295-K298 WeakPolarHBondContact O-CB 3.31Å; K298-V301 PolarHBondContact O-N 2.67Å; K298-L302 HydrophobicContact CG-CD1 4.45Å; K298-L302 WeakPolarHBondContact O-CG 3.45Å; K298-L302 PolarHBondContact O-N 2.83Å; K298-L320 HydrophobicContact CD-CD1 4.49Å; K298-L320 HydrophobicContact CG-CD1 3.86Å
299	N	96.6	Very high	95.7	Very high	62 Å²	62	27.8 Å²	27.8	33%	0.332	14%	0.142	S	C	.	.	H	α-helix	trans	-65.1	-41.5	175.7	-169.5	27.5	0	0	0	111.9	R295 L296 Y297 V301 L302 K303	R295-N299 PolarHBondContact O-N 3.47Å; L296-N299 WeakPolarHBondContact O-CB 3.13Å; L296-N299 PolarHBondContact O-N 2.88Å; Y297-N299 PolarHBondContact O-N 2.9Å; N299-V301 VanDerWaalsContact C-N 3.33Å; N299-V301 PolarHBondContact O-N 2.84Å; N299-L302 PolarHBondContact O-N 2.84Å; N299-K303 VanDerWaalsContact O-CG 3.31Å; N299-K303 WeakPolarHBondContact O-CG 3.44Å; N299-K303 PolarHBondContact O-N 3.29Å; N299-K303 WeakPolarHBondContact OD1-CE 3.33Å
300	I	97.9	Very high	95.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.5	-49.3	173.9	-65.7	170.9	0	0	0	110.5	L296 Y297 L302 K303 F304 F409 V412 L472 A475 I476 F479	L296-I300 PolarHBondContact O-N 3.42Å; L296-I300 VanDerWaalsContact O-N 3.12Å; Y297-I300 HydrophobicContact CD2-CD1 4.25Å; Y297-I300 WeakPolarHBondContact O-CB 3.34Å; Y297-I300 PolarHBondContact O-N 2.82Å; I300-L302 PolarHBondContact O-N 2.78Å; I300-K303 PolarHBondContact O-N 3.26Å; I300-F304 VanDerWaalsContact O-CB 3.28Å; I300-F304 WeakPolarHBondContact O-CB 3.39Å; I300-F304 PolarHBondContact O-N 3.2Å; I300-F409 HydrophobicContact CG2-CD1 4.42Å; I300-F409 HydrophobicContact CG2-CD2 3.92Å; I300-F409 HydrophobicContact CG2-CE1 4.18Å; I300-F409 HydrophobicContact CG2-CE2 3.65Å; I300-F409 HydrophobicContact CG2-CG 4.3Å; I300-F409 HydrophobicContact CG2-CZ 3.79Å; I300-V412 HydrophobicContact CD1-CG2 4.19Å; I300-L472 HydrophobicContact CG2-CD1 4.12Å; I300-A475 HydrophobicContact CG1-CB 4.04Å; I300-I476 HydrophobicContact CD1-CG1 4.16Å; I300-I476 HydrophobicContact CG1-CG1 4.15Å; I300-I476 HydrophobicContact CG2-CG1 3.91Å; I300-F479 HydrophobicContact CD1-CB 3.7Å; I300-F479 HydrophobicContact CD1-CD1 3.67Å; I300-F479 HydrophobicContact CD1-CG 4.11Å
301	V	97.1	Very high	95	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-44.5	-180	175.9	0	0	0	0	111.3	Y290 Y297 K298 N299 F304 S305 L318 L352	Y290-V301 HydrophobicContact CD1-CG1 3.96Å; Y290-V301 HydrophobicContact CD2-CB 4.25Å; Y290-V301 HydrophobicContact CD2-CG1 3.98Å; Y290-V301 HydrophobicContact CD2-CG2 3.7Å; Y290-V301 HydrophobicContact CE1-CG1 4.1Å; Y290-V301 HydrophobicContact CE2-CB 4.37Å; Y290-V301 HydrophobicContact CE2-CG1 4.06Å; Y290-V301 HydrophobicContact CE2-CG2 4.26Å; Y290-V301 HydrophobicContact CG-CG1 3.94Å; Y290-V301 HydrophobicContact CG-CG2 4.06Å; Y297-V301 HydrophobicContact CD1-CG2 4.3Å; Y297-V301 HydrophobicContact CE1-CG2 3.94Å; Y297-V301 PolarHBondContact O-N 3.25Å; K298-V301 PolarHBondContact O-N 2.67Å; N299-V301 VanDerWaalsContact C-N 3.33Å; N299-V301 PolarHBondContact O-N 2.84Å; V301-F304 PolarHBondContact O-N 3.42Å; V301-S305 PolarHBondContact O-N 3.47Å; V301-S305 PolarHBondContact O-OG 2.93Å; V301-S305 VanDerWaalsContact O-OG 3.09Å; V301-L318 HydrophobicContact CG1-CD1 3.79Å; V301-L318 HydrophobicContact CG1-CD2 4.23Å; V301-L352 HydrophobicContact CG1-CD1 4.47Å; V301-L352 HydrophobicContact CG2-CD1 4.2Å
302	L	95.6	Very high	94.5	Very high	60 Å²	60	36 Å²	36	31%	0.314	19%	0.194	S	C	.	.	H	α-helix	trans	-63.6	-43.3	176.6	-74.1	170.9	0	0	0	112.7	K298 N299 I300 F304 S305 A306 L318 L320 L321	K298-L302 HydrophobicContact CG-CD1 4.45Å; K298-L302 WeakPolarHBondContact O-CG 3.45Å; K298-L302 PolarHBondContact O-N 2.83Å; N299-L302 PolarHBondContact O-N 2.84Å; I300-L302 PolarHBondContact O-N 2.78Å; L302-F304 VanDerWaalsContact C-N 3.32Å; L302-S305 PolarHBondContact O-N 2.92Å; L302-A306 WeakPolarHBondContact O-CB 3.22Å; L302-A306 PolarHBondContact O-N 2.83Å; L302-L318 HydrophobicContact CD2-CD2 3.87Å; L302-L320 HydrophobicContact CD1-CD1 4.15Å; L302-L320 HydrophobicContact CD2-CB 4.01Å; L302-L320 HydrophobicContact CD2-CD1 3.71Å; L302-L320 HydrophobicContact CG-CD1 3.8Å; L302-L321 HydrophobicContact CD2-CD2 4.34Å
303	K	96.9	Very high	94.2	Very high	79 Å²	79	37.4 Å²	37.4	34%	0.343	21%	0.209	S	C	.	.	H	α-helix	trans	-67	-35.9	177.1	-65.4	-54.8	-177.8	-174.8	0	111.9	N299 I300 A306 F307 A471 L472 A475	N299-K303 VanDerWaalsContact O-CG 3.31Å; N299-K303 WeakPolarHBondContact O-CG 3.44Å; N299-K303 PolarHBondContact O-N 3.29Å; N299-K303 WeakPolarHBondContact OD1-CE 3.33Å; I300-K303 PolarHBondContact O-N 3.26Å; K303-A306 PolarHBondContact O-N 2.9Å; K303-F307 WeakPolarHBondContact O-CB 3.16Å; K303-F307 PolarHBondContact O-N 3.17Å; K303-A471 HydrophobicContact CD-CB 4.1Å; K303-L472 HydrophobicContact CB-CB 4.16Å; K303-L472 HydrophobicContact CB-CD1 4.14Å; K303-A475 HydrophobicContact CB-CB 4.48Å; K303-A475 HydrophobicContact CG-CB 4.03Å
304	F	97.4	Very high	93.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-43.7	175.2	179.7	-110.8	0	0	0	111.7	I300 V301 L302 A306 F307 L308 L350 L352 F409 L430 M431 F434 L472	I300-F304 VanDerWaalsContact O-CB 3.28Å; I300-F304 WeakPolarHBondContact O-CB 3.39Å; I300-F304 PolarHBondContact O-N 3.2Å; V301-F304 PolarHBondContact O-N 3.42Å; L302-F304 VanDerWaalsContact C-N 3.32Å; F304-A306 VanDerWaalsContact C-N 3.34Å; F304-A306 PolarHBondContact O-N 3.16Å; F304-F307 WeakPolarHBondContact O-CB 3.41Å; F304-F307 PolarHBondContact O-N 3.49Å; F304-F307 VanDerWaalsContact O-N 3.15Å; F304-L308 HydrophobicContact CD1-CD1 4.02Å; F304-L308 HydrophobicContact CE1-CD1 3.5Å; F304-L308 HydrophobicContact CE1-CG 4.19Å; F304-L308 HydrophobicContact CE2-CG 4.41Å; F304-L308 HydrophobicContact CZ-CD1 3.82Å; F304-L308 HydrophobicContact CZ-CD2 4.37Å; F304-L308 HydrophobicContact CZ-CG 4.09Å; F304-L308 PolarHBondContact O-N 3.01Å; F304-L350 HydrophobicContact CE1-CD2 3.55Å; F304-L350 HydrophobicContact CZ-CD2 3.98Å; F304-L352 HydrophobicContact CD1-CD1 4.19Å; F304-L352 HydrophobicContact CE1-CD1 4.45Å; F304-L352 HydrophobicContact CE1-CD2 4.34Å; F304-F409 HydrophobicContact CB-CZ 3.94Å; F304-F409 HydrophobicContact CD1-CZ 4.28Å; F304-F409 HydrophobicContact CD2-CE1 4.21Å; F304-F409 AromaticContact CD2-CZ 3.83Å; F304-F409 HydrophobicContact CD2-CZ 3.83Å; F304-F409 HydrophobicContact CE2-CZ 4.41Å; F304-F409 AromaticContact CG-CZ 3.75Å; F304-F409 HydrophobicContact CG-CZ 3.75Å; F304-L430 HydrophobicContact CE2-CD1 4.2Å; F304-L430 HydrophobicContact CZ-CD1 3.98Å; F304-M431 HydrophobicContact CD2-SD 4.34Å; F304-M431 HydrophobicContact CE2-SD 4.11Å; F304-F434 AromaticContact CE2-CD2 3.92Å; F304-F434 HydrophobicContact CE2-CD2 3.92Å; F304-F434 AromaticContact CE2-CE2 3.62Å; F304-F434 HydrophobicContact CE2-CE2 3.62Å; F304-F434 HydrophobicContact CZ-CD2 4.31Å; F304-F434 AromaticContact CZ-CE2 3.87Å; F304-F434 HydrophobicContact CZ-CE2 3.87Å; F304-L472 HydrophobicContact CB-CD1 3.86Å; F304-L472 HydrophobicContact CB-CD2 4.4Å; F304-L472 HydrophobicContact CD2-CD2 3.85Å
305	S	95.6	Very high	93.7	Very high	4 Å²	4	40 Å²	40	3%	0.028	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-42.2	172.8	-64.9	0	0	0	0	112.2	V301 L302 F307 L308 A309	V301-S305 PolarHBondContact O-N 3.47Å; V301-S305 PolarHBondContact O-OG 2.93Å; V301-S305 VanDerWaalsContact O-OG 3.09Å; L302-S305 PolarHBondContact O-N 2.92Å; S305-F307 VanDerWaalsContact C-N 3.33Å; S305-F307 PolarHBondContact O-N 2.85Å; S305-L308 PolarHBondContact O-N 2.75Å; S305-A309 WeakPolarHBondContact O-CB 3.4Å; S305-A309 PolarHBondContact O-N 2.8Å
306	A	93.3	Very high	93.5	Very high	48 Å²	48	33 Å²	33	40%	0.397	20%	0.199	S	C	.	.	H	α-helix	trans	-64.2	-37.5	174.2	0	0	0	0	0	112.3	L302 K303 F304 A309 A310	L302-A306 WeakPolarHBondContact O-CB 3.22Å; L302-A306 PolarHBondContact O-N 2.83Å; K303-A306 PolarHBondContact O-N 2.9Å; F304-A306 VanDerWaalsContact C-N 3.34Å; F304-A306 PolarHBondContact O-N 3.16Å; A306-A309 PolarHBondContact O-N 3.43Å; A306-A310 WeakPolarHBondContact O-CB 3.37Å; A306-A310 PolarHBondContact O-N 2.59Å
307	F	94.8	Very high	93.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-46.4	174.7	174.6	-103	0	0	0	112	K303 F304 S305 A309 A310 K311 M431 F434 L458 L472	K303-F307 WeakPolarHBondContact O-CB 3.16Å; K303-F307 PolarHBondContact O-N 3.17Å; F304-F307 WeakPolarHBondContact O-CB 3.41Å; F304-F307 PolarHBondContact O-N 3.49Å; F304-F307 VanDerWaalsContact O-N 3.15Å; S305-F307 VanDerWaalsContact C-N 3.33Å; S305-F307 PolarHBondContact O-N 2.85Å; F307-A309 PolarHBondContact O-N 3.43Å; F307-A310 PolarHBondContact O-N 2.92Å; F307-K311 HydrophobicContact CD2-CB 3.89Å; F307-K311 HydrophobicContact CD2-CG 4.39Å; F307-K311 HydrophobicContact CE2-CB 3.76Å; F307-K311 HydrophobicContact CE2-CG 3.75Å; F307-K311 HydrophobicContact CZ-CB 4.29Å; F307-K311 HydrophobicContact CZ-CG 4.07Å; F307-K311 WeakPolarHBondContact O-CA 3.28Å; F307-K311 VanDerWaalsContact O-CB 3.27Å; F307-K311 WeakPolarHBondContact O-CB 3.46Å; F307-K311 PolarHBondContact O-N 3.22Å; F307-M431 HydrophobicContact CD1-CE 4.22Å; F307-M431 HydrophobicContact CE1-CE 3.61Å; F307-M431 HydrophobicContact CZ-CE 4.12Å; F307-F434 HydrophobicContact CD1-CZ 4.2Å; F307-F434 HydrophobicContact CE1-CD1 4.05Å; F307-F434 AromaticContact CE1-CE1 3.5Å; F307-F434 HydrophobicContact CE1-CE1 3.5Å; F307-F434 HydrophobicContact CE1-CE2 4.24Å; F307-F434 AromaticContact CE1-CZ 3.6Å; F307-F434 HydrophobicContact CE1-CZ 3.6Å; F307-F434 HydrophobicContact CZ-CE1 4.18Å; F307-L458 HydrophobicContact CE1-CD2 4.38Å; F307-L458 HydrophobicContact CZ-CD2 3.79Å; F307-L472 HydrophobicContact CB-CD2 4.32Å; F307-L472 HydrophobicContact CD1-CD2 4.3Å; F307-L472 HydrophobicContact CG-CD2 4.31Å
308	L	94.2	Very high	93	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.9	-45	174.2	-76.8	174.7	0	0	0	112.2	F304 S305 C312 G313 T314 V316 F434 I441	F304-L308 HydrophobicContact CD1-CD1 4.02Å; F304-L308 HydrophobicContact CE1-CD1 3.5Å; F304-L308 HydrophobicContact CE1-CG 4.19Å; F304-L308 HydrophobicContact CE2-CG 4.41Å; F304-L308 HydrophobicContact CZ-CD1 3.82Å; F304-L308 HydrophobicContact CZ-CD2 4.37Å; F304-L308 HydrophobicContact CZ-CG 4.09Å; F304-L308 PolarHBondContact O-N 3.01Å; S305-L308 PolarHBondContact O-N 2.75Å; L308-C312 HydrophobicContact CD2-CB 4.43Å; L308-C312 CarbonylContact O-C 3.53Å; L308-C312 WeakPolarHBondContact O-CA 3.2Å; L308-C312 WeakPolarHBondContact O-CB 3.31Å; L308-C312 PolarHBondContact O-N 2.75Å; L308-C312 VanDerWaalsContact O-N 3.16Å; L308-G313 PolarHBondContact O-N 3.05Å; L308-G313 VanDerWaalsContact O-N 3.17Å; L308-T314 PolarHBondContact O-N 3.18Å; L308-T314 VanDerWaalsContact O-N 3.13Å; L308-V316 HydrophobicContact CB-CG2 3.53Å; L308-V316 HydrophobicContact CD1-CG2 4.13Å; L308-F434 HydrophobicContact CD2-CE2 3.83Å; L308-F434 HydrophobicContact CD2-CZ 3.68Å; L308-I441 HydrophobicContact CD2-CD1 4.18Å
309	A	91.3	Very high	92.6	Very high	47 Å²	47	29.5 Å²	29.5	39%	0.388	18%	0.184	S	C	.	.	H	α-helix	trans	-67.3	-48.6	179.1	0	0	0	0	0	112.4	S305 A306 F307 G313 T314	S305-A309 WeakPolarHBondContact O-CB 3.4Å; S305-A309 PolarHBondContact O-N 2.8Å; A306-A309 PolarHBondContact O-N 3.43Å; F307-A309 PolarHBondContact O-N 3.43Å; A309-G313 WeakPolarHBondContact O-CA 3.49Å; A309-G313 PolarHBondContact O-N 3.11Å; A309-T314 WeakPolarHBondContact CA-O 3.32Å
310	A	88.4	Confident	92.1	Very high	79 Å²	79	28.3 Å²	28.3	65%	0.653	18%	0.177	S	C	*	.	H	α-helix	trans	-81.3	-43.6	-171.8	0	0	0	0	0	113.7	A306 F307	A306-A310 WeakPolarHBondContact O-CB 3.37Å; A306-A310 PolarHBondContact O-N 2.59Å; F307-A310 PolarHBondContact O-N 2.92Å
311	K	88.1	Confident	91.5	Very high	89 Å²	89	33.5 Å²	33.5	39%	0.387	20%	0.204	S	C	.	.	H	α-helix	trans	-89.4	-36.9	-177	-176.8	62.6	175.6	-176.7	0	112	F307 L458 C466	F307-K311 HydrophobicContact CD2-CB 3.89Å; F307-K311 HydrophobicContact CD2-CG 4.39Å; F307-K311 HydrophobicContact CE2-CB 3.76Å; F307-K311 HydrophobicContact CE2-CG 3.75Å; F307-K311 HydrophobicContact CZ-CB 4.29Å; F307-K311 HydrophobicContact CZ-CG 4.07Å; F307-K311 WeakPolarHBondContact O-CA 3.28Å; F307-K311 VanDerWaalsContact O-CB 3.27Å; F307-K311 WeakPolarHBondContact O-CB 3.46Å; F307-K311 PolarHBondContact O-N 3.22Å; K311-L458 HydrophobicContact CG-CD2 3.78Å; K311-C466 HydrophobicContact CD-CB 4.31Å
312	C	86.2	Confident	90.7	Very high	16 Å²	16	35 Å²	35	11%	0.108	21%	0.212	C	C	.	.	H	α-helix	trans	-102.1	-4.3	-172.6	-50.3	0	0	0	0	113.3	L308 T314 F438	L308-C312 HydrophobicContact CD2-CB 4.43Å; L308-C312 CarbonylContact O-C 3.53Å; L308-C312 WeakPolarHBondContact O-CA 3.2Å; L308-C312 WeakPolarHBondContact O-CB 3.31Å; L308-C312 PolarHBondContact O-N 2.75Å; L308-C312 VanDerWaalsContact O-N 3.16Å; C312-T314 PolarHBondContact O-N 2.96Å; C312-T314 VanDerWaalsContact O-N 3.15Å; C312-T314 PolarHBondContact O-OG1 2.86Å; C312-F438 HydrophobicContact CB-CD2 3.97Å; C312-F438 HydrophobicContact CB-CE2 3.47Å; C312-F438 VanDerWaalsContact CB-CE2 3.47Å; C312-F438 HydrophobicContact CB-CZ 3.78Å
313	G	87.4	Confident	89.6	Confident	31 Å²	31	34.9 Å²	34.9	32%	0.32	22%	0.216	S	C	.	.			trans	60.3	23.8	-180	0	0	0	0	0	113.8	R283 L308 A309	R283-G313 WeakPolarHBondContact CD-O 3.35Å; R283-G313 WeakPolarHBondContact CG-O 3.3Å; L308-G313 PolarHBondContact O-N 3.05Å; L308-G313 VanDerWaalsContact O-N 3.17Å; A309-G313 WeakPolarHBondContact O-CA 3.49Å; A309-G313 PolarHBondContact O-N 3.11Å
314	T	89.6	Confident	88.4	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.031	23%	0.233	C	C	.	.			trans	-88.4	136.4	-175.3	-55.2	0	0	0	0	110.1	K284 V286 L308 A309 C312 V316 I441	K284-T314 CarbonylContact O-C 3.57Å; K284-T314 WeakPolarHBondContact O-CA 3.43Å; K284-T314 VanDerWaalsContact O-CG2 3.29Å; K284-T314 WeakPolarHBondContact O-CG2 3.42Å; V286-T314 HydrophobicContact CB-CG2 4.07Å; V286-T314 HydrophobicContact CG2-CG2 3.63Å; L308-T314 PolarHBondContact O-N 3.18Å; L308-T314 VanDerWaalsContact O-N 3.13Å; A309-T314 WeakPolarHBondContact CA-O 3.32Å; C312-T314 PolarHBondContact O-N 2.96Å; C312-T314 VanDerWaalsContact O-N 3.15Å; C312-T314 PolarHBondContact O-OG1 2.86Å; T314-V316 HydrophobicContact CG2-CG2 4.39Å; T314-V316 PolarHBondContact O-N 2.65Å; T314-I441 HydrophobicContact CG2-CG2 4.1Å
315	D	91.4	Very high	87.2	Confident	63 Å²	63	41.5 Å²	41.5	34%	0.337	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	105	171	-175.6	24.8	0	0	0	109	K284 R285 V286	K284-D315 PolarHBondContact O-N 3.25Å; R285-D315 CarbonylContact C-O 3.57Å; R285-D315 WeakPolarHBondContact CA-O 3.41Å; R285-D315 HydrophobicContact CB-CB 4.09Å; R285-D315 HydrophobicContact CG-CB 4.36Å; R285-D315 WeakPolarHBondContact CG-O 3.32Å; R285-D315 IonicContact CZ-OD2 3.59Å; R285-D315 IonicContact NE-OD2 3.71Å; R285-D315 PolarHBondContact NE-OD2 3.2Å; R285-D315 IonicContact NH2-OD2 2.82Å; R285-D315 PolarHBondContact NH2-OD2 3.01Å; V286-D315 PolarHBondContact N-O 2.97Å
316	V	92.4	Very high	86.1	Confident	17 Å²	17	41.5 Å²	41.5	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119	-173.9	-175.4	0	0	0	0	110.1	V288 L308 T314	V288-V316 HydrophobicContact CG2-CG1 3.85Å; L308-V316 HydrophobicContact CB-CG2 3.53Å; L308-V316 HydrophobicContact CD1-CG2 4.13Å; T314-V316 HydrophobicContact CG2-CG2 4.39Å; T314-V316 PolarHBondContact O-N 2.65Å
317	V	91.9	Very high	84.9	Confident	14 Å²	14	42.1 Å²	42.1	9%	0.085	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.7	170.5	178	0	0	0	0	108.8	R285 V286 L287 V288 W334 H338	R285-V317 HydrophobicContact CG-CG2 3.88Å; V286-V317 PolarHBondContact O-N 3.19Å; L287-V317 HydrophobicContact CB-CB 4.47Å; L287-V317 HydrophobicContact CD1-CB 4.02Å; L287-V317 HydrophobicContact CD1-CG1 3.52Å; V288-V317 PolarHBondContact N-O 2.97Å; V317-W334 HydrophobicContact CG1-CH2 3.72Å; V317-W334 HydrophobicContact CG1-CZ2 3.59Å; V317-H338 WeakPolarHBondContact CG1-CE1 3.33Å; V317-H338 WeakPolarHBondContact CG1-ND1 3.33Å; V317-H338 WeakPolarHBondContact CG1-NE2 3.36Å
318	L	91.1	Very high	83.8	Confident	1 Å²	1	48 Å²	48	1%	0.005	30%	0.298	C	S	.	.			trans	-144	138	-179.5	-172.8	75.3	0	0	0	108.6	V288 Y290 V301 L302 L320 L321 D322	V288-L318 HydrophobicContact CB-CD1 3.86Å; V288-L318 HydrophobicContact CG1-CD1 4.01Å; Y290-L318 HydrophobicContact CD1-CD1 3.78Å; Y290-L318 HydrophobicContact CE1-CD1 3.36Å; Y290-L318 HydrophobicContact CE1-CG 4.23Å; V301-L318 HydrophobicContact CG1-CD1 3.79Å; V301-L318 HydrophobicContact CG1-CD2 4.23Å; L302-L318 HydrophobicContact CD2-CD2 3.87Å; L318-L320 VanDerWaalsContact C-N 3.26Å; L318-L320 HydrophobicContact CD2-CB 3.99Å; L318-L320 HydrophobicContact CD2-CD1 4.19Å; L318-L320 HydrophobicContact CD2-CG 4.35Å; L318-L320 HydrophobicContact CG-CB 4.32Å; L318-L320 PolarHBondContact O-N 3.21Å; L318-L321 HydrophobicContact CB-CB 4.33Å; L318-L321 HydrophobicContact CB-CD1 3.99Å; L318-L321 HydrophobicContact CB-CG 4Å; L318-L321 HydrophobicContact CD2-CD1 4.33Å; L318-L321 HydrophobicContact CD2-CG 4.09Å; L318-L321 PolarHBondContact O-N 3.46Å; L318-D322 PolarHBondContact O-N 3.2Å
319	D	87.5	Confident	82.8	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.027	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-53.9	-40.3	178.2	59.9	-8.1	0	0	0	113.1	Y290 L321 D322 S323 L326 W334 T383	Y290-D319 WeakPolarHBondContact CE1-OD1 3.47Å; Y290-D319 VanDerWaalsContact CZ-OD1 3.31Å; Y290-D319 PolarHBondContact OH-OD1 3.27Å; Y290-D319 PolarHBondContact OH-OD2 2.6Å; D319-L321 PolarHBondContact O-N 3.08Å; D319-D322 CarbonylContact O-C 3.58Å; D319-D322 PolarHBondContact O-N 3.43Å; D319-S323 PolarHBondContact O-N 2.84Å; D319-L326 HydrophobicContact CB-CD1 3.6Å; D319-W334 HydrophobicContact CB-CH2 4.38Å; D319-T383 HydrophobicContact CB-CG2 4.14Å; D319-T383 WeakPolarHBondContact OD2-CB 3.5Å; D319-T383 VanDerWaalsContact OD2-CG2 3.3Å; D319-T383 WeakPolarHBondContact OD2-CG2 3.1Å; D319-T383 PolarHBondContact OD2-OG1 2.67Å
320	L	86.3	Confident	82.1	Confident	37 Å²	37	50.2 Å²	50.2	19%	0.194	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-64.7	-23.9	177.4	-58.5	174.7	0	0	0	113.4	Y290 K298 L302 L318	Y290-L320 VanDerWaalsContact OH-CD1 3.25Å; Y290-L320 WeakPolarHBondContact OH-CD1 3.42Å; Y290-L320 WeakPolarHBondContact OH-CG 3.26Å; K298-L320 HydrophobicContact CD-CD1 4.49Å; K298-L320 HydrophobicContact CG-CD1 3.86Å; L302-L320 HydrophobicContact CD1-CD1 4.15Å; L302-L320 HydrophobicContact CD2-CB 4.01Å; L302-L320 HydrophobicContact CD2-CD1 3.71Å; L302-L320 HydrophobicContact CG-CD1 3.8Å; L318-L320 VanDerWaalsContact C-N 3.26Å; L318-L320 HydrophobicContact CD2-CB 3.99Å; L318-L320 HydrophobicContact CD2-CD1 4.19Å; L318-L320 HydrophobicContact CD2-CG 4.35Å; L318-L320 HydrophobicContact CG-CB 4.32Å; L318-L320 PolarHBondContact O-N 3.21Å
321	L	84.8	Confident	81.6	Confident	109 Å²	109	47.5 Å²	47.5	57%	0.571	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-94.5	-12.7	179.7	-58.2	178.9	0	0	0	112.4	L302 L318 D319	L302-L321 HydrophobicContact CD2-CD2 4.34Å; L318-L321 HydrophobicContact CB-CB 4.33Å; L318-L321 HydrophobicContact CB-CD1 3.99Å; L318-L321 HydrophobicContact CB-CG 4Å; L318-L321 HydrophobicContact CD2-CD1 4.33Å; L318-L321 HydrophobicContact CD2-CG 4.09Å; L318-L321 PolarHBondContact O-N 3.46Å; D319-L321 PolarHBondContact O-N 3.08Å
322	D	80	Confident	81.1	Confident	32 Å²	32	47.9 Å²	47.9	17%	0.171	29%	0.293	C	S	.	.	S	Bend	trans	-125.3	31	-176.4	-158.7	13.2	0	0	0	112.8	L318 D319 T324 R325 L326 W334 H338	L318-D322 PolarHBondContact O-N 3.2Å; D319-D322 CarbonylContact O-C 3.58Å; D319-D322 PolarHBondContact O-N 3.43Å; D322-T324 VanDerWaalsContact C-N 3.27Å; D322-T324 PolarHBondContact O-N 3.44Å; D322-R325 PolarHBondContact O-N 3.32Å; D322-R325 VanDerWaalsContact OD1-CB 3.28Å; D322-R325 WeakPolarHBondContact OD1-CB 3.25Å; D322-R325 WeakPolarHBondContact OD1-CD 3.43Å; D322-R325 VanDerWaalsContact OD1-CG 3.29Å; D322-R325 WeakPolarHBondContact OD1-CG 3.15Å; D322-R325 IonicContact OD2-NE 3.86Å; D322-L326 WeakPolarHBondContact O-CB 3.4Å; D322-L326 PolarHBondContact O-N 3.28Å; D322-W334 HydrophobicContact CB-CZ2 4.04Å; D322-W334 PolarHBondContact OD2-NE1 2.95Å; D322-H338 IonicContact OD2-NE2 3.4Å
323	S	73.7	Confident	80.9	Confident	57 Å²	57	52.8 Å²	52.8	40%	0.399	31%	0.314	S	S	.	.	H	α-helix	trans	-58.9	-33.4	-172.8	58.1	0	0	0	0	113.9	D319 G327	D319-S323 PolarHBondContact O-N 2.84Å; S323-G327 PolarHBondContact O-N 2.98Å
324	T	71.9	Confident	80.8	Confident	112 Å²	112	51.6 Å²	51.6	69%	0.687	30%	0.3	S	S	*	.	H	α-helix	trans	-65.9	-47.6	177.4	-49.6	0	0	0	0	111.8	D322 V328	D322-T324 VanDerWaalsContact C-N 3.27Å; D322-T324 PolarHBondContact O-N 3.44Å; T324-V328 WeakPolarHBondContact O-CG2 3.36Å; T324-V328 PolarHBondContact O-N 2.84Å
325	R	70.2	Confident	80.4	Confident	105 Å²	105	51.7 Å²	51.7	40%	0.396	30%	0.301	S	S	.	.	H	α-helix	trans	-71	-38.1	179	-67.8	179.2	56.9	168.9	-6	110.9	D322 V328 L329 W337	D322-R325 PolarHBondContact O-N 3.32Å; D322-R325 VanDerWaalsContact OD1-CB 3.28Å; D322-R325 WeakPolarHBondContact OD1-CB 3.25Å; D322-R325 WeakPolarHBondContact OD1-CD 3.43Å; D322-R325 VanDerWaalsContact OD1-CG 3.29Å; D322-R325 WeakPolarHBondContact OD1-CG 3.15Å; D322-R325 IonicContact OD2-NE 3.86Å; R325-V328 PolarHBondContact O-N 2.9Å; R325-L329 WeakPolarHBondContact O-CB 3.46Å; R325-L329 WeakPolarHBondContact O-CG 3.34Å; R325-L329 PolarHBondContact O-N 2.75Å; R325-W337 VanDerWaalsContact NH2-CZ2 3.27Å
326	L	72.5	Confident	80	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-42.9	178.1	-157.9	163.5	0	0	0	111	D319 D322 V328 L329 G330 W334 I380 T383	D319-L326 HydrophobicContact CB-CD1 3.6Å; D322-L326 WeakPolarHBondContact O-CB 3.4Å; D322-L326 PolarHBondContact O-N 3.28Å; L326-V328 PolarHBondContact O-N 3.38Å; L326-L329 PolarHBondContact O-N 3.21Å; L326-G330 WeakPolarHBondContact O-CA 3.44Å; L326-G330 PolarHBondContact O-N 2.86Å; L326-W334 HydrophobicContact CB-CG 4.12Å; L326-W334 HydrophobicContact CD1-CD2 3.86Å; L326-W334 HydrophobicContact CD1-CE3 4.04Å; L326-W334 HydrophobicContact CD1-CG 4.13Å; L326-W334 HydrophobicContact CG-CB 4.03Å; L326-W334 HydrophobicContact CG-CD2 4.13Å; L326-W334 HydrophobicContact CG-CG 3.83Å; L326-I380 HydrophobicContact CB-CD1 4.47Å; L326-I380 HydrophobicContact CD1-CD1 4.25Å; L326-I380 HydrophobicContact CD1-CG2 3.84Å; L326-I380 HydrophobicContact CD2-CB 4.17Å; L326-I380 HydrophobicContact CD2-CD1 4.46Å; L326-I380 HydrophobicContact CD2-CG1 4.08Å; L326-I380 HydrophobicContact CD2-CG2 3.19Å; L326-I380 HydrophobicContact CG-CG2 4.11Å; L326-T383 HydrophobicContact CD1-CG2 4.22Å
327	G	68.9	Low	79.5	Confident	62 Å²	62	56.5 Å²	56.5	64%	0.639	32%	0.316	S	S	*	.	H	α-helix	trans	-61.8	-27.3	175.4	0	0	0	0	0	114.5	S323	S323-G327 PolarHBondContact O-N 2.98Å
328	V	72.5	Confident	79.1	Confident	123 Å²	123	56.2 Å²	56.2	75%	0.745	31%	0.314	S	S	*	.	H	α-helix	trans	-85.8	-40.2	178.1	174.6	0	0	0	0	112.3	T324 R325 L326	T324-V328 WeakPolarHBondContact O-CG2 3.36Å; T324-V328 PolarHBondContact O-N 2.84Å; R325-V328 PolarHBondContact O-N 2.9Å; L326-V328 PolarHBondContact O-N 3.38Å
329	L	71.8	Confident	78.6	Confident	59 Å²	59	56.6 Å²	56.6	31%	0.309	32%	0.315	S	S	.	.	H	α-helix	trans	-88.3	-24.9	-175.5	-64.8	173.2	0	0	0	113.1	R325 L326 Q333	R325-L329 WeakPolarHBondContact O-CB 3.46Å; R325-L329 WeakPolarHBondContact O-CG 3.34Å; R325-L329 PolarHBondContact O-N 2.75Å; L326-L329 PolarHBondContact O-N 3.21Å; L329-Q333 HydrophobicContact CB-CB 4.22Å; L329-Q333 WeakPolarHBondContact O-CB 3.11Å; L329-Q333 WeakPolarHBondContact O-CG 2.94Å; L329-Q333 PolarHBondContact O-OE1 3.43Å
330	G	77.9	Confident	78.3	Confident	34 Å²	34	59 Å²	59	35%	0.351	33%	0.327	S	S	.	.			trans	76.9	156.6	-165.9	0	0	0	0	0	112.7	L326 I332 Q333 W334	L326-G330 WeakPolarHBondContact O-CA 3.44Å; L326-G330 PolarHBondContact O-N 2.86Å; G330-I332 PolarHBondContact O-N 3.23Å; G330-Q333 PolarHBondContact O-N 3.35Å; G330-W334 WeakPolarHBondContact O-CB 3.37Å; G330-W334 PolarHBondContact O-N 2.81Å
331	S	76.3	Confident	77.9	Confident	23 Å²	23	60.6 Å²	60.6	16%	0.161	33%	0.333	C	S	.	.	H	α-helix	trans	-59.3	-40.8	-170.6	-49	0	0	0	0	113.4	L335	S331-L335 WeakPolarHBondContact O-CB 3.36Å; S331-L335 VanDerWaalsContact O-CD1 3.25Å; S331-L335 WeakPolarHBondContact O-CD1 3.43Å; S331-L335 WeakPolarHBondContact O-CG 3.4Å; S331-L335 PolarHBondContact O-N 3.43Å; S331-L335 VanDerWaalsContact O-N 3.08Å
332	I	79.6	Confident	77.7	Confident	96 Å²	96	55.6 Å²	55.6	49%	0.492	31%	0.307	S	S	.	.	H	α-helix	trans	-67.2	-51	-178.5	-66.6	176.1	0	0	0	111.4	G330 W334 L335 E336 P386	G330-I332 PolarHBondContact O-N 3.23Å; I332-W334 VanDerWaalsContact C-N 3.3Å; I332-W334 PolarHBondContact O-N 3.45Å; I332-L335 PolarHBondContact O-N 3.3Å; I332-L335 VanDerWaalsContact O-N 3.17Å; I332-E336 HydrophobicContact CG2-CG 4.41Å; I332-E336 PolarHBondContact O-N 2.85Å; I332-P386 HydrophobicContact CG1-CB 3.92Å
333	Q	81	Confident	77.7	Confident	119 Å²	119	58.9 Å²	58.9	56%	0.556	32%	0.321	S	S	*	.	H	α-helix	trans	-66.6	-35.3	-177.6	-59.6	178.4	21.8	0	0	111.5	L329 G330 W337	L329-Q333 HydrophobicContact CB-CB 4.22Å; L329-Q333 WeakPolarHBondContact O-CB 3.11Å; L329-Q333 WeakPolarHBondContact O-CG 2.94Å; L329-Q333 PolarHBondContact O-OE1 3.43Å; G330-Q333 PolarHBondContact O-N 3.35Å; Q333-W337 VanDerWaalsContact O-CB 3.31Å; Q333-W337 WeakPolarHBondContact O-CB 3.47Å; Q333-W337 PolarHBondContact O-N 3.02Å
334	W	84.8	Confident	77.8	Confident	6 Å²	6	64.3 Å²	64.3	2%	0.023	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-44.8	173.3	-176.8	90.2	0	0	0	111.6	L287 V317 D319 D322 L326 G330 I332 W337 H338	L287-W334 HydrophobicContact CD1-CH2 3.63Å; L287-W334 HydrophobicContact CD1-CZ3 3.88Å; V317-W334 HydrophobicContact CG1-CH2 3.72Å; V317-W334 HydrophobicContact CG1-CZ2 3.59Å; D319-W334 HydrophobicContact CB-CH2 4.38Å; D322-W334 HydrophobicContact CB-CZ2 4.04Å; D322-W334 PolarHBondContact OD2-NE1 2.95Å; L326-W334 HydrophobicContact CB-CG 4.12Å; L326-W334 HydrophobicContact CD1-CD2 3.86Å; L326-W334 HydrophobicContact CD1-CE3 4.04Å; L326-W334 HydrophobicContact CD1-CG 4.13Å; L326-W334 HydrophobicContact CG-CB 4.03Å; L326-W334 HydrophobicContact CG-CD2 4.13Å; L326-W334 HydrophobicContact CG-CG 3.83Å; G330-W334 WeakPolarHBondContact O-CB 3.37Å; G330-W334 PolarHBondContact O-N 2.81Å; I332-W334 VanDerWaalsContact C-N 3.3Å; I332-W334 PolarHBondContact O-N 3.45Å; W334-W337 PolarHBondContact O-N 3.33Å; W334-H338 AromaticContact CD1-NE2 3.98Å; W334-H338 AromaticContact CD2-CD2 3.56Å; W334-H338 AromaticContact CD2-NE2 3.9Å; W334-H338 AromaticContact CE2-CD2 3.29Å; W334-H338 AromaticContact CE2-NE2 3.15Å; W334-H338 AromaticContact CE3-CD2 3.94Å; W334-H338 AromaticContact CH2-CD2 3.88Å; W334-H338 AromaticContact CZ2-CD2 3.48Å; W334-H338 VanDerWaalsContact CZ2-CD2 3.48Å; W334-H338 WeakPolarHBondContact CZ2-CD2 3.08Å; W334-H338 AromaticContact CZ2-NE2 3.27Å; W334-H338 VanDerWaalsContact CZ2-NE2 3.27Å; W334-H338 WeakPolarHBondContact CZ2-NE2 3.14Å; W334-H338 AromaticContact NE1-CD2 3.68Å; W334-H338 AromaticContact NE1-NE2 3.22Å; W334-H338 PolarHBondContact NE1-NE2 3Å; W334-H338 PolarHBondContact O-CD2 2.68Å; W334-H338 PolarHBondContact O-N 3.48Å; W334-H338 VanDerWaalsContact O-N 3.16Å
335	L	82	Confident	78.3	Confident	8 Å²	8	60.9 Å²	60.9	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-67	-43.9	177.6	-72	162.4	0	0	0	112.4	S331 I332 W337 H338 K339 P386 S387 L390	S331-L335 WeakPolarHBondContact O-CB 3.36Å; S331-L335 VanDerWaalsContact O-CD1 3.25Å; S331-L335 WeakPolarHBondContact O-CD1 3.43Å; S331-L335 WeakPolarHBondContact O-CG 3.4Å; S331-L335 PolarHBondContact O-N 3.43Å; S331-L335 VanDerWaalsContact O-N 3.08Å; I332-L335 PolarHBondContact O-N 3.3Å; I332-L335 VanDerWaalsContact O-N 3.17Å; L335-W337 VanDerWaalsContact C-N 3.33Å; L335-W337 PolarHBondContact O-N 2.82Å; L335-H338 PolarHBondContact O-N 3.36Å; L335-K339 WeakPolarHBondContact O-CB 3.34Å; L335-K339 PolarHBondContact O-N 3.21Å; L335-P386 HydrophobicContact CD1-CB 4.18Å; L335-S387 WeakPolarHBondContact CD1-OG 3.06Å; L335-S387 VanDerWaalsContact CD2-OG 3.23Å; L335-S387 WeakPolarHBondContact CD2-OG 3.37Å; L335-L390 HydrophobicContact CB-CD2 4.09Å
336	E	82.1	Confident	78.8	Confident	87 Å²	87	57.7 Å²	57.7	41%	0.407	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-43.7	175.8	-77.2	-178	147.4	0	0	111.1	I332 H338 K339 E340 L390	I332-E336 HydrophobicContact CG2-CG 4.41Å; I332-E336 PolarHBondContact O-N 2.85Å; E336-H338 PolarHBondContact O-N 3.02Å; E336-K339 PolarHBondContact O-N 3.45Å; E336-E340 VanDerWaalsContact O-CB 3.25Å; E336-E340 WeakPolarHBondContact O-CB 3.36Å; E336-E340 PolarHBondContact O-N 3.08Å; E336-L390 HydrophobicContact CG-CD1 3.58Å; E336-L390 HydrophobicContact CG-CD2 3.89Å; E336-L390 HydrophobicContact CG-CG 4.39Å
337	W	82.9	Confident	79.6	Confident	93 Å²	93	58.5 Å²	58.5	35%	0.352	31%	0.311	S	S	.	.	H	α-helix	trans	-57.8	-52	176.7	-175.9	80.8	0	0	0	112.1	R325 Q333 W334 L335 E340 Q341	R325-W337 VanDerWaalsContact NH2-CZ2 3.27Å; Q333-W337 VanDerWaalsContact O-CB 3.31Å; Q333-W337 WeakPolarHBondContact O-CB 3.47Å; Q333-W337 PolarHBondContact O-N 3.02Å; W334-W337 PolarHBondContact O-N 3.33Å; L335-W337 VanDerWaalsContact C-N 3.33Å; L335-W337 PolarHBondContact O-N 2.82Å; W337-E340 PolarHBondContact O-N 2.94Å; W337-Q341 HydrophobicContact CZ2-CG 4.38Å; W337-Q341 WeakPolarHBondContact O-CG 3.11Å; W337-Q341 PolarHBondContact O-N 3.39Å
338	H	82.7	Confident	80.6	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-40	-179.8	-77	-71.2	0	0	0	112.3	L287 V317 D322 W334 L335 E336 E340 Q341 I342	L287-H338 HydrophobicContact CD1-CB 4.41Å; L287-H338 HydrophobicContact CD2-CB 4.05Å; V317-H338 WeakPolarHBondContact CG1-CE1 3.33Å; V317-H338 WeakPolarHBondContact CG1-ND1 3.33Å; V317-H338 WeakPolarHBondContact CG1-NE2 3.36Å; D322-H338 IonicContact OD2-NE2 3.4Å; W334-H338 AromaticContact CD1-NE2 3.98Å; W334-H338 AromaticContact CD2-CD2 3.56Å; W334-H338 AromaticContact CD2-NE2 3.9Å; W334-H338 AromaticContact CE2-CD2 3.29Å; W334-H338 AromaticContact CE2-NE2 3.15Å; W334-H338 AromaticContact CE3-CD2 3.94Å; W334-H338 AromaticContact CH2-CD2 3.88Å; W334-H338 AromaticContact CZ2-CD2 3.48Å; W334-H338 VanDerWaalsContact CZ2-CD2 3.48Å; W334-H338 WeakPolarHBondContact CZ2-CD2 3.08Å; W334-H338 AromaticContact CZ2-NE2 3.27Å; W334-H338 VanDerWaalsContact CZ2-NE2 3.27Å; W334-H338 WeakPolarHBondContact CZ2-NE2 3.14Å; W334-H338 AromaticContact NE1-CD2 3.68Å; W334-H338 AromaticContact NE1-NE2 3.22Å; W334-H338 PolarHBondContact NE1-NE2 3Å; W334-H338 PolarHBondContact O-CD2 2.68Å; W334-H338 PolarHBondContact O-N 3.48Å; W334-H338 VanDerWaalsContact O-N 3.16Å; L335-H338 PolarHBondContact O-N 3.36Å; E336-H338 PolarHBondContact O-N 3.02Å; H338-E340 VanDerWaalsContact C-N 3.35Å; H338-E340 PolarHBondContact O-N 2.93Å; H338-Q341 PolarHBondContact O-N 2.87Å; H338-I342 VanDerWaalsContact O-CG1 3.28Å; H338-I342 WeakPolarHBondContact O-CG1 3.03Å; H338-I342 PolarHBondContact O-N 3.42Å
339	K	80.7	Confident	81.6	Confident	10 Å²	10	50 Å²	50	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-47.5	175.4	175.3	175.8	172.3	150.2	0	111.3	L335 E336 Q341 I342 E343 L390 L391 Y394	L335-K339 WeakPolarHBondContact O-CB 3.34Å; L335-K339 PolarHBondContact O-N 3.21Å; E336-K339 PolarHBondContact O-N 3.45Å; K339-Q341 VanDerWaalsContact C-N 3.26Å; K339-Q341 PolarHBondContact O-N 3.06Å; K339-I342 PolarHBondContact O-N 2.8Å; K339-E343 WeakPolarHBondContact CE-OE1 3.31Å; K339-E343 HydrophobicContact CG-CG 4.44Å; K339-E343 IonicContact NZ-OE1 2.75Å; K339-E343 WeakPolarHBondContact O-CG 3.33Å; K339-E343 PolarHBondContact O-N 2.89Å; K339-L390 HydrophobicContact CD-CD2 3.92Å; K339-L390 HydrophobicContact CD-CG 4.49Å; K339-L391 HydrophobicContact CD-CD2 4.06Å; K339-Y394 VanDerWaalsContact NZ-CG 3.26Å
340	E	81.8	Confident	82.7	Confident	56 Å²	56	47.1 Å²	47.1	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-60.2	-33	177.9	-94.8	-159.1	-147.2	0	0	113.4	N225 E336 W337 H338 R344	N225-E340 PolarHBondContact ND2-OE1 3.17Å; E336-E340 VanDerWaalsContact O-CB 3.25Å; E336-E340 WeakPolarHBondContact O-CB 3.36Å; E336-E340 PolarHBondContact O-N 3.08Å; W337-E340 PolarHBondContact O-N 2.94Å; H338-E340 VanDerWaalsContact C-N 3.35Å; H338-E340 PolarHBondContact O-N 2.93Å; E340-R344 WeakPolarHBondContact O-CG 3.47Å; E340-R344 PolarHBondContact O-NH1 2.87Å; E340-R344 IonicContact OE2-CZ 2.75Å; E340-R344 IonicContact OE2-NH1 3.9Å; E340-R344 PolarHBondContact OE2-NH1 3.25Å; E340-R344 IonicContact OE2-NH2 2.59Å; E340-R344 PolarHBondContact OE2-NH2 2.59Å
341	Q	78.8	Confident	83.5	Confident	70 Å²	70	45.5 Å²	45.5	33%	0.327	22%	0.215	S	C	.	.	H	α-helix	trans	-70.7	-41.9	172.8	-63.2	-54.1	-62.1	0	0	111.3	W337 H338 K339 R344 S345	W337-Q341 HydrophobicContact CZ2-CG 4.38Å; W337-Q341 WeakPolarHBondContact O-CG 3.11Å; W337-Q341 PolarHBondContact O-N 3.39Å; H338-Q341 PolarHBondContact O-N 2.87Å; K339-Q341 VanDerWaalsContact C-N 3.26Å; K339-Q341 PolarHBondContact O-N 3.06Å; Q341-R344 PolarHBondContact O-N 3.12Å; Q341-S345 PolarHBondContact O-N 2.68Å; Q341-S345 PolarHBondContact O-OG 2.77Å
342	I	80.1	Confident	84.5	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-69	-33.4	-178.4	-67.8	166.1	0	0	0	112.4	L287 H338 K339 R344 S345 D347 I349 K403	L287-I342 HydrophobicContact CB-CD1 3.48Å; L287-I342 VanDerWaalsContact CB-CD1 3.48Å; L287-I342 HydrophobicContact CD2-CD1 4.1Å; L287-I342 HydrophobicContact CG-CD1 4.44Å; H338-I342 VanDerWaalsContact O-CG1 3.28Å; H338-I342 WeakPolarHBondContact O-CG1 3.03Å; H338-I342 PolarHBondContact O-N 3.42Å; K339-I342 PolarHBondContact O-N 2.8Å; I342-R344 VanDerWaalsContact C-N 3.3Å; I342-R344 PolarHBondContact O-N 2.81Å; I342-S345 PolarHBondContact O-N 3.09Å; I342-D347 HydrophobicContact CB-CB 4.32Å; I342-D347 HydrophobicContact CG1-CB 3.9Å; I342-D347 HydrophobicContact CG2-CB 4.14Å; I342-D347 WeakPolarHBondContact CG2-O 3.46Å; I342-I349 HydrophobicContact CD1-CD1 4.34Å; I342-I349 HydrophobicContact CD1-CG1 3.66Å; I342-I349 HydrophobicContact CG2-CD1 4.49Å; I342-I349 HydrophobicContact CG2-CG1 4.09Å; I342-K403 PolarHBondContact O-NZ 2.95Å
343	E	79.3	Confident	85.3	Confident	100 Å²	100	39.9 Å²	39.9	47%	0.467	18%	0.184	S	C	.	.	H	α-helix	trans	-65.3	-35.2	174.9	-75.2	-177.9	172.1	0	0	112	K339	K339-E343 WeakPolarHBondContact CE-OE1 3.31Å; K339-E343 HydrophobicContact CG-CG 4.44Å; K339-E343 IonicContact NZ-OE1 2.75Å; K339-E343 WeakPolarHBondContact O-CG 3.33Å; K339-E343 PolarHBondContact O-N 2.89Å
344	R	77.1	Confident	86.1	Confident	171 Å²	171	34.2 Å²	34.2	65%	0.645	16%	0.158	S	C	*	.	H	α-helix	trans	-84.5	-10.4	-179.2	-64.6	-179.5	-175.7	106.5	-6.6	114	E340 Q341 I342	E340-R344 WeakPolarHBondContact O-CG 3.47Å; E340-R344 PolarHBondContact O-NH1 2.87Å; E340-R344 IonicContact OE2-CZ 2.75Å; E340-R344 IonicContact OE2-NH1 3.9Å; E340-R344 PolarHBondContact OE2-NH1 3.25Å; E340-R344 IonicContact OE2-NH2 2.59Å; E340-R344 PolarHBondContact OE2-NH2 2.59Å; Q341-R344 PolarHBondContact O-N 3.12Å; I342-R344 VanDerWaalsContact C-N 3.3Å; I342-R344 PolarHBondContact O-N 2.81Å
345	S	81.9	Confident	86.6	Confident	41 Å²	41	38.4 Å²	38.4	29%	0.287	17%	0.174	S	C	.	.	S	Bend	trans	-119.6	-174.1	-177.6	75.3	0	0	0	0	112	Q341 I342 D347 K403	Q341-S345 PolarHBondContact O-N 2.68Å; Q341-S345 PolarHBondContact O-OG 2.77Å; I342-S345 PolarHBondContact O-N 3.09Å; S345-D347 VanDerWaalsContact C-N 3.27Å; S345-D347 WeakPolarHBondContact CB-OD2 3.44Å; S345-D347 WeakPolarHBondContact OG-CB 3.3Å; S345-D347 PolarHBondContact OG-N 3.29Å; S345-D347 VanDerWaalsContact OG-N 3.11Å; S345-D347 PolarHBondContact OG-OD2 3.14Å; S345-K403 PolarHBondContact O-NZ 3.24Å
346	S	79.8	Confident	87.3	Confident	38 Å²	38	38 Å²	38	27%	0.266	17%	0.172	S	C	.	.	S	Bend	trans	-87.2	8	170.5	65.1	0	0	0	0	113.7	K284 K348	K284-S346 PolarHBondContact NZ-OG 2.96Å; S346-K348 PolarHBondContact O-NZ 3.5Å
347	D	89.6	Confident	87.9	Confident	20 Å²	20	33.9 Å²	33.9	11%	0.107	15%	0.152	C	C	.	.			trans	-68.8	169.2	-171.9	-62.4	-33.3	0	0	0	112.1	R285 I342 S345	R285-D347 HydrophobicContact CB-CB 4.31Å; R285-D347 PolarHBondContact N-OD1 3.24Å; R285-D347 VanDerWaalsContact O-CB 3.29Å; R285-D347 WeakPolarHBondContact O-CB 3.29Å; I342-D347 HydrophobicContact CB-CB 4.32Å; I342-D347 HydrophobicContact CG1-CB 3.9Å; I342-D347 HydrophobicContact CG2-CB 4.14Å; I342-D347 WeakPolarHBondContact CG2-O 3.46Å; S345-D347 VanDerWaalsContact C-N 3.27Å; S345-D347 WeakPolarHBondContact CB-OD2 3.44Å; S345-D347 WeakPolarHBondContact OG-CB 3.3Å; S345-D347 PolarHBondContact OG-N 3.29Å; S345-D347 VanDerWaalsContact OG-N 3.11Å; S345-D347 PolarHBondContact OG-OD2 3.14Å
348	K	90.9	Very high	88.5	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.6	-171.7	-60.3	-65.7	-175.1	-83.1	0	112	R285 V286 L287 S346 E402 K403 I405 R440 N443	R285-K348 PolarHBondContact O-N 2.97Å; V286-K348 WeakPolarHBondContact CA-O 3.18Å; L287-K348 PolarHBondContact N-O 3.04Å; S346-K348 PolarHBondContact O-NZ 3.5Å; K348-E402 VanDerWaalsContact CD-O 3.31Å; K348-E402 WeakPolarHBondContact CD-O 3.32Å; K348-E402 WeakPolarHBondContact CE-O 3.48Å; K348-K403 WeakPolarHBondContact CA-O 3.33Å; K348-I405 HydrophobicContact CB-CD1 3.87Å; K348-I405 HydrophobicContact CB-CG1 4.36Å; K348-I405 HydrophobicContact CG-CD1 4.05Å; K348-R440 VanDerWaalsContact CE-O 3.25Å; K348-R440 WeakPolarHBondContact CE-O 3.25Å; K348-N443 WeakPolarHBondContact CE-OD1 3.21Å; K348-N443 PolarHBondContact NZ-OD1 3.01Å
349	I	92.1	Very high	89.1	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.6	169.4	-60.6	174.1	0	0	0	107.3	L287 I289 I342 I351 L391 K403 Y404 I405	L287-I349 HydrophobicContact CB-CG1 4.47Å; L287-I349 HydrophobicContact CD2-CG1 4.36Å; L287-I349 CarbonylContact O-C 3.59Å; L287-I349 WeakPolarHBondContact O-CA 3.39Å; I289-I349 HydrophobicContact CD1-CG2 3.56Å; I289-I349 HydrophobicContact CG1-CG2 4.19Å; I342-I349 HydrophobicContact CD1-CD1 4.34Å; I342-I349 HydrophobicContact CD1-CG1 3.66Å; I342-I349 HydrophobicContact CG2-CD1 4.49Å; I342-I349 HydrophobicContact CG2-CG1 4.09Å; I349-I351 HydrophobicContact CG2-CG1 4.24Å; I349-L391 HydrophobicContact CD1-CD2 4.42Å; I349-L391 HydrophobicContact CG2-CD1 4.48Å; I349-K403 PolarHBondContact N-O 3.09Å; I349-Y404 HydrophobicContact CB-CD1 3.91Å; I349-Y404 HydrophobicContact CB-CE1 4.24Å; I349-Y404 HydrophobicContact CD1-CD1 4.2Å; I349-Y404 HydrophobicContact CD1-CE1 3.64Å; I349-Y404 HydrophobicContact CG1-CE1 4.45Å; I349-Y404 HydrophobicContact CG2-CD1 4.18Å; I349-Y404 HydrophobicContact CG2-CE1 4.45Å; I349-Y404 WeakPolarHBondContact O-CA 3.3Å; I349-I405 PolarHBondContact O-N 3.22Å
350	L	94.9	Very high	89.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.5	176.4	177.7	61.6	0	0	0	109.6	V286 L287 V288 I289 F304 L352 I405 A407	V286-L350 HydrophobicContact CG1-CB 3.63Å; V286-L350 HydrophobicContact CG1-CD2 4.47Å; L287-L350 PolarHBondContact O-N 3.45Å; V288-L350 WeakPolarHBondContact CA-O 3.45Å; V288-L350 HydrophobicContact CG2-CD2 4.44Å; I289-L350 PolarHBondContact N-O 3.21Å; F304-L350 HydrophobicContact CE1-CD2 3.55Å; F304-L350 HydrophobicContact CZ-CD2 3.98Å; L350-L352 HydrophobicContact CD1-CD2 4.45Å; L350-L352 HydrophobicContact CD2-CD2 4.21Å; L350-L352 HydrophobicContact CG-CD2 4.16Å; L350-L352 HydrophobicContact CG-CG 4.41Å; L350-I405 CarbonylContact C-O 3.48Å; L350-I405 WeakPolarHBondContact CA-O 3.34Å; L350-I405 HydrophobicContact CD1-CB 3.82Å; L350-I405 HydrophobicContact CD1-CG2 3.61Å; L350-A407 HydrophobicContact CD1-CB 3.87Å
351	I	95	Very high	90.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	112.2	176.1	-55.4	174.7	0	0	0	107.9	I289 I349 C353 L391 F395 Y404 I405 A407 F422	I289-I351 HydrophobicContact CB-CG1 4.5Å; I289-I351 CarbonylContact O-C 3.58Å; I289-I351 WeakPolarHBondContact O-CA 3.09Å; I349-I351 HydrophobicContact CG2-CG1 4.24Å; I351-C353 PolarHBondContact O-N 3.32Å; I351-L391 HydrophobicContact CD1-CD1 4.43Å; I351-F395 HydrophobicContact CD1-CE2 4.09Å; I351-F395 HydrophobicContact CD1-CZ 3.72Å; I351-Y404 HydrophobicContact CD1-CD1 4.48Å; I351-I405 PolarHBondContact N-O 3.08Å; I351-A407 PolarHBondContact O-N 3.05Å; I351-A407 VanDerWaalsContact O-O 3.13Å; I351-F422 HydrophobicContact CD1-CE1 4.2Å; I351-F422 HydrophobicContact CD1-CE2 4.3Å; I351-F422 HydrophobicContact CD1-CZ 4.06Å; I351-F422 HydrophobicContact CG2-CE2 4.4Å
352	L	97.6	Very high	90.6	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	98.7	174.9	-65	177.7	0	0	0	109.5	V288 I289 V301 F304 L350 V357 A407 F409 L430	V288-L352 HydrophobicContact CG1-CD1 3.58Å; V288-L352 HydrophobicContact CG1-CG 4.04Å; I289-L352 PolarHBondContact O-N 3.15Å; V301-L352 HydrophobicContact CG1-CD1 4.47Å; V301-L352 HydrophobicContact CG2-CD1 4.2Å; F304-L352 HydrophobicContact CD1-CD1 4.19Å; F304-L352 HydrophobicContact CE1-CD1 4.45Å; F304-L352 HydrophobicContact CE1-CD2 4.34Å; L350-L352 HydrophobicContact CD1-CD2 4.45Å; L350-L352 HydrophobicContact CD2-CD2 4.21Å; L350-L352 HydrophobicContact CG-CD2 4.16Å; L350-L352 HydrophobicContact CG-CG 4.41Å; L352-V357 WeakPolarHBondContact O-CG2 3.1Å; L352-A407 CarbonylContact C-O 3.58Å; L352-A407 WeakPolarHBondContact CA-O 3.44Å; L352-A407 HydrophobicContact CD2-CB 4.38Å; L352-F409 HydrophobicContact CD1-CE2 4.28Å; L352-F409 HydrophobicContact CD2-CE2 4.25Å; L352-L430 HydrophobicContact CD2-CD1 3.7Å
353	C	96.9	Very high	91.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.151	C	C	.	.			trans	-75.7	133.5	179.1	-65.9	0	0	0	0	111.2	I351 A407 Y408 I418	I351-C353 PolarHBondContact O-N 3.32Å; C353-A407 PolarHBondContact N-O 2.9Å; C353-Y408 VanDerWaalsContact O-CB 3.24Å; C353-Y408 WeakPolarHBondContact O-CB 3.36Å; C353-I418 HydrophobicContact CB-CB 4.44Å; C353-I418 HydrophobicContact CB-CG1 3.7Å
354	S	97.3	Very high	91.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.144	C	C	.	.			trans	-150.7	174.2	178.7	67.7	0	0	0	0	109.7	D293 Y297 G356 V357 Q358	D293-S354 VanDerWaalsContact CG-OG 3.26Å; D293-S354 PolarHBondContact OD1-OG 2.89Å; D293-S354 WeakPolarHBondContact OD2-CB 3.41Å; D293-S354 PolarHBondContact OD2-OG 3.39Å; Y297-S354 WeakPolarHBondContact OH-CB 3.4Å; S354-G356 PolarHBondContact O-N 3.41Å; S354-V357 WeakPolarHBondContact O-CA 3.39Å; S354-V357 WeakPolarHBondContact O-CB 3.43Å; S354-V357 PolarHBondContact O-N 3.36Å; S354-Q358 PolarHBondContact O-N 3.04Å
355	R	95.9	Very high	91.8	Very high	95 Å²	95	27.7 Å²	27.7	36%	0.358	14%	0.141	S	C	.	.	H	α-helix	trans	-55.6	-37.8	-174.5	-167.9	166.1	177.9	151.3	-1.6	113.1	D293 Q358 A359 D417 F490	D293-R355 PolarHBondContact OD2-N 3.24Å; R355-Q358 PolarHBondContact O-N 2.94Å; R355-A359 WeakPolarHBondContact O-CB 3.19Å; R355-A359 PolarHBondContact O-N 3.24Å; R355-D417 WeakPolarHBondContact CA-OD1 3.5Å; R355-F490 HydrophobicContact CB-CD2 4.03Å; R355-F490 HydrophobicContact CB-CE2 4.12Å; R355-F490 HydrophobicContact CB-CG 4.37Å; R355-F490 HydrophobicContact CG-CB 4.5Å; R355-F490 HydrophobicContact CG-CD1 3.84Å; R355-F490 HydrophobicContact CG-CD2 3.93Å; R355-F490 HydrophobicContact CG-CE1 4.01Å; R355-F490 HydrophobicContact CG-CE2 4.11Å; R355-F490 HydrophobicContact CG-CG 3.8Å; R355-F490 HydrophobicContact CG-CZ 4.16Å
356	G	95.8	Very high	91.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-72	-28.3	175.4	0	0	0	0	0	114.2	D293 S354 A359 K360	D293-G356 WeakPolarHBondContact OD1-CA 3.12Å; D293-G356 PolarHBondContact OD1-N 3.36Å; D293-G356 PolarHBondContact OD2-N 3.33Å; S354-G356 PolarHBondContact O-N 3.41Å; G356-A359 PolarHBondContact O-N 3.12Å; G356-K360 VanDerWaalsContact O-CB 3.32Å; G356-K360 WeakPolarHBondContact O-CB 3.45Å; G356-K360 WeakPolarHBondContact O-CG 3.47Å; G356-K360 PolarHBondContact O-N 3.24Å
357	V	95.8	Very high	91.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-48	172.2	179.4	0	0	0	0	110.8	L352 S354 W361 L384 P419	L352-V357 WeakPolarHBondContact O-CG2 3.1Å; S354-V357 WeakPolarHBondContact O-CA 3.39Å; S354-V357 WeakPolarHBondContact O-CB 3.43Å; S354-V357 PolarHBondContact O-N 3.36Å; V357-W361 VanDerWaalsContact O-CB 3.28Å; V357-W361 WeakPolarHBondContact O-CB 3.45Å; V357-W361 PolarHBondContact O-N 3.07Å; V357-L384 HydrophobicContact CB-CD2 4.1Å; V357-L384 HydrophobicContact CG1-CD2 4.27Å; V357-L384 HydrophobicContact CG2-CD1 4.4Å; V357-L384 HydrophobicContact CG2-CD2 3.83Å; V357-P419 HydrophobicContact CG1-CG 3.8Å
358	Q	94.7	Very high	91.6	Very high	21 Å²	21	36.9 Å²	36.9	10%	0.098	20%	0.203	C	C	.	.	H	α-helix	trans	-66.7	-39.4	177.8	-177.3	67.5	-33.2	0	0	112.4	S354 R355 W361 R362 E416	S354-Q358 PolarHBondContact O-N 3.04Å; R355-Q358 PolarHBondContact O-N 2.94Å; Q358-W361 PolarHBondContact O-N 3.16Å; Q358-R362 WeakPolarHBondContact O-CB 3.42Å; Q358-R362 VanDerWaalsContact O-CG 3.3Å; Q358-R362 WeakPolarHBondContact O-CG 3.48Å; Q358-R362 PolarHBondContact O-N 3.31Å; Q358-E416 PolarHBondContact NE2-O 3.08Å
359	A	94.1	Very high	91.3	Very high	17 Å²	17	43.1 Å²	43.1	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-48	178.5	0	0	0	0	0	111.7	R355 G356 R362 A363 V370 F490	R355-A359 WeakPolarHBondContact O-CB 3.19Å; R355-A359 PolarHBondContact O-N 3.24Å; G356-A359 PolarHBondContact O-N 3.12Å; A359-R362 PolarHBondContact O-N 3.3Å; A359-A363 PolarHBondContact O-N 3.49Å; A359-V370 HydrophobicContact CB-CG1 4.3Å; A359-V370 HydrophobicContact CB-CG2 3.98Å; A359-F490 HydrophobicContact CB-CE1 3.9Å; A359-F490 HydrophobicContact CB-CZ 3.72Å
360	K	93.8	Very high	91.2	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-40.5	176.1	-73.6	175.1	170	179.3	0	111.9	G356 R362 A363 M364 V370 D375 D382 L384	G356-K360 VanDerWaalsContact O-CB 3.32Å; G356-K360 WeakPolarHBondContact O-CB 3.45Å; G356-K360 WeakPolarHBondContact O-CG 3.47Å; G356-K360 PolarHBondContact O-N 3.24Å; K360-R362 PolarHBondContact O-N 2.93Å; K360-A363 WeakPolarHBondContact O-CB 3.34Å; K360-A363 PolarHBondContact O-N 3.06Å; K360-M364 WeakPolarHBondContact O-CG 3.41Å; K360-M364 PolarHBondContact O-N 3.39Å; K360-V370 HydrophobicContact CG-CB 4.39Å; K360-V370 HydrophobicContact CG-CG1 4.13Å; K360-D375 WeakPolarHBondContact CE-OD2 3.15Å; K360-D375 VanDerWaalsContact NZ-CG 3.26Å; K360-D375 IonicContact NZ-OD1 2.96Å; K360-D375 PolarHBondContact NZ-OD1 2.99Å; K360-D375 VanDerWaalsContact NZ-OD1 3.09Å; K360-D375 IonicContact NZ-OD2 3.35Å; K360-D375 PolarHBondContact NZ-OD2 3.4Å; K360-D382 IonicContact NZ-OD1 2.86Å; K360-D382 PolarHBondContact NZ-OD1 3Å; K360-D382 IonicContact NZ-OD2 4Å; K360-L384 HydrophobicContact CB-CD2 4.17Å; K360-L384 HydrophobicContact CD-CB 4.19Å; K360-L384 HydrophobicContact CD-CD2 3.61Å; K360-L384 HydrophobicContact CD-CG 4.4Å; K360-L384 HydrophobicContact CG-CD2 4.49Å
361	W	90.2	Very high	90.9	Very high	27 Å²	27	48.4 Å²	48.4	10%	0.102	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-45.7	173.3	178.6	-106.3	0	0	0	112.3	V357 Q358 A363 M364 C365 L388 A392 P419 P421	V357-W361 VanDerWaalsContact O-CB 3.28Å; V357-W361 WeakPolarHBondContact O-CB 3.45Å; V357-W361 PolarHBondContact O-N 3.07Å; Q358-W361 PolarHBondContact O-N 3.16Å; W361-A363 VanDerWaalsContact C-N 3.29Å; W361-A363 PolarHBondContact O-N 2.82Å; W361-M364 HydrophobicContact CE3-CE 4.47Å; W361-M364 HydrophobicContact CE3-SD 4.21Å; W361-M364 HydrophobicContact CZ3-CE 4.24Å; W361-M364 WeakPolarHBondContact O-CB 3.49Å; W361-M364 PolarHBondContact O-N 2.03Å; W361-C365 VanDerWaalsContact CE2-SG 3.59Å; W361-C365 PolarHBondContact O-N 3.4Å; W361-C365 PolarHBondContact O-SG 2.99Å; W361-C365 VanDerWaalsContact O-SG 3.4Å; W361-L388 HydrophobicContact CB-CD1 4.43Å; W361-L388 HydrophobicContact CE3-CB 4.39Å; W361-L388 HydrophobicContact CE3-CD1 4.3Å; W361-A392 HydrophobicContact CH2-CB 3.89Å; W361-A392 HydrophobicContact CZ3-CB 3.87Å; W361-P419 HydrophobicContact CB-CB 4.18Å; W361-P419 HydrophobicContact CB-CG 3.85Å; W361-P419 HydrophobicContact CD2-CB 3.97Å; W361-P419 HydrophobicContact CD2-CG 4.47Å; W361-P419 HydrophobicContact CG-CB 3.65Å; W361-P419 HydrophobicContact CG-CG 3.89Å; W361-P421 HydrophobicContact CH2-CG 3.63Å; W361-P421 HydrophobicContact CZ2-CG 3.21Å
362	R	90.4	Very high	90.8	Very high	150 Å²	150	48.4 Å²	48.4	57%	0.566	26%	0.257	S	S	*	.	H	α-helix	trans	-60.3	-39.6	175.2	-74.9	174.6	-177	172.4	2.8	111.8	Q358 A359 K360 C365 G367	Q358-R362 WeakPolarHBondContact O-CB 3.42Å; Q358-R362 VanDerWaalsContact O-CG 3.3Å; Q358-R362 WeakPolarHBondContact O-CG 3.48Å; Q358-R362 PolarHBondContact O-N 3.31Å; A359-R362 PolarHBondContact O-N 3.3Å; K360-R362 PolarHBondContact O-N 2.93Å; R362-C365 CarbonylContact O-C 3.47Å; R362-C365 PolarHBondContact O-N 3.18Å; R362-G367 WeakPolarHBondContact O-CA 3.34Å; R362-G367 PolarHBondContact O-N 2.9Å
363	A	89.9	Confident	90.5	Very high	11 Å²	11	53.4 Å²	53.4	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-44	174.8	0	0	0	0	0	111.9	A359 K360 W361 C365 G366 K368 V370	A359-A363 PolarHBondContact O-N 3.49Å; K360-A363 WeakPolarHBondContact O-CB 3.34Å; K360-A363 PolarHBondContact O-N 3.06Å; W361-A363 VanDerWaalsContact C-N 3.29Å; W361-A363 PolarHBondContact O-N 2.82Å; A363-C365 PolarHBondContact O-N 2.76Å; A363-G366 PolarHBondContact O-N 3.3Å; A363-G366 VanDerWaalsContact O-N 3.15Å; A363-K368 VanDerWaalsContact CB-O 3.3Å; A363-K368 WeakPolarHBondContact CB-O 3.43Å; A363-V370 HydrophobicContact CB-CG2 4.26Å
364	M	87.5	Confident	90.3	Very high	67 Å²	67	54.5 Å²	54.5	33%	0.33	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-31.2	174.6	-68	175.6	62.3	0	0	112.9	K360 W361 G366 T385 L388 T389	K360-M364 WeakPolarHBondContact O-CG 3.41Å; K360-M364 PolarHBondContact O-N 3.39Å; W361-M364 HydrophobicContact CE3-CE 4.47Å; W361-M364 HydrophobicContact CE3-SD 4.21Å; W361-M364 HydrophobicContact CZ3-CE 4.24Å; W361-M364 WeakPolarHBondContact O-CB 3.49Å; W361-M364 PolarHBondContact O-N 2.03Å; M364-G366 VanDerWaalsContact C-N 3.27Å; M364-G366 PolarHBondContact O-N 2.97Å; M364-T385 HydrophobicContact CG-CG2 3.99Å; M364-T385 HydrophobicContact SD-CG2 4.01Å; M364-L388 HydrophobicContact CE-CB 4.06Å; M364-L388 HydrophobicContact SD-CB 3.7Å; M364-L388 HydrophobicContact SD-CD1 4.19Å; M364-T389 WeakPolarHBondContact CE-OG1 3.32Å
365	C	82.7	Confident	89.9	Confident	85 Å²	85	55 Å²	55	57%	0.574	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	22.2	177.4	-60.8	0	0	0	0	114	W361 R362 A363	W361-C365 VanDerWaalsContact CE2-SG 3.59Å; W361-C365 PolarHBondContact O-N 3.4Å; W361-C365 PolarHBondContact O-SG 2.99Å; W361-C365 VanDerWaalsContact O-SG 3.4Å; R362-C365 CarbonylContact O-C 3.47Å; R362-C365 PolarHBondContact O-N 3.18Å; A363-C365 PolarHBondContact O-N 2.76Å
366	G	80.1	Confident	89.5	Confident	76 Å²	76	53.9 Å²	53.9	78%	0.784	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	10.1	176.9	0	0	0	0	0	115.1	A363 M364	A363-G366 PolarHBondContact O-N 3.3Å; A363-G366 VanDerWaalsContact O-N 3.15Å; M364-G366 VanDerWaalsContact C-N 3.27Å; M364-G366 PolarHBondContact O-N 2.97Å
367	G	83.8	Confident	89.1	Confident	38 Å²	38	59.7 Å²	59.7	39%	0.392	33%	0.325	S	S	.	.	S	Bend	trans	-77	-177.3	170.9	0	0	0	0	0	113.6	R362 Q369	R362-G367 WeakPolarHBondContact O-CA 3.34Å; R362-G367 PolarHBondContact O-N 2.9Å; G367-Q369 PolarHBondContact O-N 3.38Å
368	K	84.5	Confident	88.5	Confident	179 Å²	179	60.3 Å²	60.3	78%	0.778	33%	0.329	S	S	*	.			trans	-59.5	130.8	175.8	-172.5	179.1	178.7	-179.1	0	109.9	A363	A363-K368 VanDerWaalsContact CB-O 3.3Å; A363-K368 WeakPolarHBondContact CB-O 3.43Å
369	Q	84.9	Confident	87.6	Confident	132 Å²	132	65.4 Å²	65.4	62%	0.617	36%	0.364	S	S	*	.			trans	-56.6	140.4	173.4	-72.6	-74.7	-19.9	0	0	110.8	G367 F371	G367-Q369 PolarHBondContact O-N 3.38Å; Q369-F371 HydrophobicContact CB-CE2 3.81Å; Q369-F371 HydrophobicContact CB-CZ 4.32Å
370	V	88.9	Confident	86.8	Confident	21 Å²	21	66 Å²	66	13%	0.127	36%	0.364	C	S	.	.			trans	-121	121	-174.7	171.7	0	0	0	0	108.3	A359 K360 A363 L372 L494	A359-V370 HydrophobicContact CB-CG1 4.3Å; A359-V370 HydrophobicContact CB-CG2 3.98Å; K360-V370 HydrophobicContact CG-CB 4.39Å; K360-V370 HydrophobicContact CG-CG1 4.13Å; A363-V370 HydrophobicContact CB-CG2 4.26Å; V370-L372 HydrophobicContact CG1-CD2 4.28Å; V370-L372 HydrophobicContact CG1-CG 4.17Å; V370-L494 HydrophobicContact CG1-CD2 3.68Å
371	F	89.4	Confident	86.5	Confident	94 Å²	94	66.9 Å²	66.9	41%	0.412	38%	0.375	S	S	.	.			trans	-123.4	111.3	173.7	-60.5	-79.1	0	0	0	108	Q369 L494 L495	Q369-F371 HydrophobicContact CB-CE2 3.81Å; Q369-F371 HydrophobicContact CB-CZ 4.32Å; F371-L494 WeakPolarHBondContact O-CA 3.31Å; F371-L495 HydrophobicContact CB-CB 4.38Å; F371-L495 PolarHBondContact O-N 2.98Å
372	L	92.4	Very high	86.4	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-89.3	143	179.2	-60.1	166.5	0	0	0	109.8	V370 E374 D375 A376 F490 L494	V370-L372 HydrophobicContact CG1-CD2 4.28Å; V370-L372 HydrophobicContact CG1-CG 4.17Å; L372-E374 VanDerWaalsContact C-N 3.3Å; L372-E374 PolarHBondContact O-N 3.34Å; L372-D375 WeakPolarHBondContact CB-OD2 3.4Å; L372-D375 WeakPolarHBondContact O-CB 3.5Å; L372-D375 PolarHBondContact O-N 2.72Å; L372-D375 VanDerWaalsContact O-N 3.15Å; L372-A376 PolarHBondContact O-N 3.03Å; L372-F490 HydrophobicContact CD2-CE2 3.91Å; L372-F490 HydrophobicContact CD2-CZ 4.05Å; L372-L494 HydrophobicContact CD2-CD2 3.85Å
373	R	91.8	Very high	86.3	Confident	105 Å²	105	61.1 Å²	61.1	40%	0.396	36%	0.357	S	S	.	.	H	α-helix	trans	-56	-43.9	177.5	-178.7	-176.6	-71.3	157.5	-1.3	112.1	D375 A376 L377 E492 E493 L495	R373-D375 VanDerWaalsContact C-N 3.31Å; R373-D375 PolarHBondContact O-N 3.31Å; R373-A376 PolarHBondContact O-N 2.65Å; R373-A376 VanDerWaalsContact O-N 3.17Å; R373-L377 HydrophobicContact CG-CD1 3.95Å; R373-L377 HydrophobicContact CG-CG 4.38Å; R373-L377 WeakPolarHBondContact O-CG 3.46Å; R373-L377 PolarHBondContact O-N 2.98Å; R373-E492 PolarHBondContact NH2-O 3.19Å; R373-E493 PolarHBondContact N-O 3.3Å; R373-E493 IonicContact NH1-OE1 2.86Å; R373-E493 PolarHBondContact NH1-OE1 2.88Å; R373-L495 HydrophobicContact CB-CD2 4.23Å; R373-L495 HydrophobicContact CB-CG 4.36Å
374	E	91.4	Very high	86.4	Confident	22 Å²	22	60.6 Å²	60.6	10%	0.103	35%	0.353	C	S	.	.	H	α-helix	trans	-67.9	-27.8	-180	-70.1	-68.9	131.4	0	0	113.4	L292 L372 S378	L292-E374 HydrophobicContact CB-CB 4Å; L372-E374 VanDerWaalsContact C-N 3.3Å; L372-E374 PolarHBondContact O-N 3.34Å; E374-S378 WeakPolarHBondContact O-CB 3.12Å; E374-S378 PolarHBondContact O-N 3.21Å; E374-S378 VanDerWaalsContact O-N 3.07Å
375	D	90.1	Very high	86.6	Confident	11 Å²	11	59.2 Å²	59.2	6%	0.059	35%	0.349	C	S	.	.	H	α-helix	trans	-67.4	-43.6	170.7	-66.2	-44	0	0	0	110.2	K360 L372 R373 L377 S378 G381 D382	K360-D375 WeakPolarHBondContact CE-OD2 3.15Å; K360-D375 VanDerWaalsContact NZ-CG 3.26Å; K360-D375 IonicContact NZ-OD1 2.96Å; K360-D375 PolarHBondContact NZ-OD1 2.99Å; K360-D375 VanDerWaalsContact NZ-OD1 3.09Å; K360-D375 IonicContact NZ-OD2 3.35Å; K360-D375 PolarHBondContact NZ-OD2 3.4Å; L372-D375 WeakPolarHBondContact CB-OD2 3.4Å; L372-D375 WeakPolarHBondContact O-CB 3.5Å; L372-D375 PolarHBondContact O-N 2.72Å; L372-D375 VanDerWaalsContact O-N 3.15Å; R373-D375 VanDerWaalsContact C-N 3.31Å; R373-D375 PolarHBondContact O-N 3.31Å; D375-L377 VanDerWaalsContact C-N 3.33Å; D375-L377 PolarHBondContact O-N 2.92Å; D375-S378 WeakPolarHBondContact O-CB 3.31Å; D375-S378 PolarHBondContact O-N 2.65Å; D375-S378 VanDerWaalsContact O-N 3.14Å; D375-G381 WeakPolarHBondContact O-CA 3.37Å; D375-D382 HydrophobicContact CB-CB 4.31Å
376	A	87.7	Confident	86.8	Confident	72 Å²	72	56.7 Å²	56.7	60%	0.595	33%	0.331	S	S	*	.	H	α-helix	trans	-67.3	-32.8	179.4	0	0	0	0	0	113	L372 R373 S378 L495	L372-A376 PolarHBondContact O-N 3.03Å; R373-A376 PolarHBondContact O-N 2.65Å; R373-A376 VanDerWaalsContact O-N 3.17Å; A376-S378 VanDerWaalsContact C-N 3.3Å; A376-L495 HydrophobicContact CB-CD1 3.75Å
377	L	86.9	Confident	87.3	Confident	122 Å²	122	53.2 Å²	53.2	64%	0.639	30%	0.295	S	S	*	.	H	α-helix	trans	-78.7	-15.3	174.2	-66.4	175.6	0	0	0	112.8	R373 D375	R373-L377 HydrophobicContact CG-CD1 3.95Å; R373-L377 HydrophobicContact CG-CG 4.38Å; R373-L377 WeakPolarHBondContact O-CG 3.46Å; R373-L377 PolarHBondContact O-N 2.98Å; D375-L377 VanDerWaalsContact C-N 3.33Å; D375-L377 PolarHBondContact O-N 2.92Å
378	S	83.9	Confident	87.4	Confident	12 Å²	12	51.4 Å²	51.4	8%	0.084	28%	0.276	C	S	.	.	S	Bend	trans	-77.3	129.9	177.7	-178.3	0	0	0	0	110	E374 D375 A376 I380 G381	E374-S378 WeakPolarHBondContact O-CB 3.12Å; E374-S378 PolarHBondContact O-N 3.21Å; E374-S378 VanDerWaalsContact O-N 3.07Å; D375-S378 WeakPolarHBondContact O-CB 3.31Å; D375-S378 PolarHBondContact O-N 2.65Å; D375-S378 VanDerWaalsContact O-N 3.14Å; A376-S378 VanDerWaalsContact C-N 3.3Å; S378-I380 PolarHBondContact O-N 3.5Å; S378-I380 PolarHBondContact OG-N 3.21Å; S378-G381 PolarHBondContact O-N 2.56Å; S378-G381 VanDerWaalsContact O-N 3.07Å
379	P	75.3	Confident	87.5	Confident	129 Å²	129	46.8 Å²	46.8	84%	0.838	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.8	174.7	26.9	-34.1	0	0	0	112.8
380	I	78.1	Confident	87.4	Confident	28 Å²	28	42.1 Å²	42.1	14%	0.144	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-18.4	-178.2	-65.1	164.9	0	0	0	111.5	L326 S378 T383	L326-I380 HydrophobicContact CB-CD1 4.47Å; L326-I380 HydrophobicContact CD1-CD1 4.25Å; L326-I380 HydrophobicContact CD1-CG2 3.84Å; L326-I380 HydrophobicContact CD2-CB 4.17Å; L326-I380 HydrophobicContact CD2-CD1 4.46Å; L326-I380 HydrophobicContact CD2-CG1 4.08Å; L326-I380 HydrophobicContact CD2-CG2 3.19Å; L326-I380 HydrophobicContact CG-CG2 4.11Å; S378-I380 PolarHBondContact O-N 3.5Å; S378-I380 PolarHBondContact OG-N 3.21Å; I380-T383 HydrophobicContact CG2-CG2 3.3Å
381	G	85.9	Confident	86.9	Confident	23 Å²	23	41.3 Å²	41.3	24%	0.237	24%	0.237	C	C	.	.			trans	69.9	-156.9	-172.6	0	0	0	0	0	113.5	D375 S378 T383	D375-G381 WeakPolarHBondContact O-CA 3.37Å; S378-G381 PolarHBondContact O-N 2.56Å; S378-G381 VanDerWaalsContact O-N 3.07Å; G381-T383 PolarHBondContact O-N 3.17Å
382	D	88.9	Confident	86.3	Confident	44 Å²	44	37.4 Å²	37.4	24%	0.235	22%	0.222	C	C	.	.			trans	-74.9	107	179.4	-179.8	11.4	0	0	0	111.6	K360 D375 L384 T385 P386	K360-D382 IonicContact NZ-OD1 2.86Å; K360-D382 PolarHBondContact NZ-OD1 3Å; K360-D382 IonicContact NZ-OD2 4Å; D375-D382 HydrophobicContact CB-CB 4.31Å; D382-L384 WeakPolarHBondContact OD1-CB 3.44Å; D382-L384 PolarHBondContact OD1-N 3.31Å; D382-T385 PolarHBondContact OD1-N 3.12Å; D382-T385 VanDerWaalsContact OD1-N 3.17Å; D382-T385 WeakPolarHBondContact OD2-CB 3.19Å; D382-T385 PolarHBondContact OD2-OG1 3.24Å; D382-P386 WeakPolarHBondContact O-CD 3.35Å; D382-P386 WeakPolarHBondContact O-CG 3.32Å
383	T	88.9	Confident	85.4	Confident	11 Å²	11	40.1 Å²	40.1	7%	0.067	24%	0.24	C	C	.	.	S	Bend	trans	-86.3	-21.6	175.3	55.9	0	0	0	0	113.1	D319 L326 I380 G381 S387	D319-T383 HydrophobicContact CB-CG2 4.14Å; D319-T383 WeakPolarHBondContact OD2-CB 3.5Å; D319-T383 VanDerWaalsContact OD2-CG2 3.3Å; D319-T383 WeakPolarHBondContact OD2-CG2 3.1Å; D319-T383 PolarHBondContact OD2-OG1 2.67Å; L326-T383 HydrophobicContact CD1-CG2 4.22Å; I380-T383 HydrophobicContact CG2-CG2 3.3Å; G381-T383 PolarHBondContact O-N 3.17Å; T383-S387 WeakPolarHBondContact O-CB 3.3Å; T383-S387 PolarHBondContact O-N 3.23Å; T383-S387 PolarHBondContact O-OG 3.39Å
384	L	91.8	Very high	84.3	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-74.2	-48.3	-174.4	-178.6	72.2	0	0	0	111.9	I289 V357 K360 D382 S387 L388	I289-L384 HydrophobicContact CG2-CD1 3.62Å; V357-L384 HydrophobicContact CB-CD2 4.1Å; V357-L384 HydrophobicContact CG1-CD2 4.27Å; V357-L384 HydrophobicContact CG2-CD1 4.4Å; V357-L384 HydrophobicContact CG2-CD2 3.83Å; K360-L384 HydrophobicContact CB-CD2 4.17Å; K360-L384 HydrophobicContact CD-CB 4.19Å; K360-L384 HydrophobicContact CD-CD2 3.61Å; K360-L384 HydrophobicContact CD-CG 4.4Å; K360-L384 HydrophobicContact CG-CD2 4.49Å; D382-L384 WeakPolarHBondContact OD1-CB 3.44Å; D382-L384 PolarHBondContact OD1-N 3.31Å; L384-S387 CarbonylContact O-C 3.56Å; L384-S387 WeakPolarHBondContact O-CA 3.31Å; L384-S387 VanDerWaalsContact O-CB 3.26Å; L384-S387 WeakPolarHBondContact O-CB 3.27Å; L384-S387 PolarHBondContact O-N 2.81Å; L384-L388 HydrophobicContact CD1-CD1 4.14Å; L384-L388 HydrophobicContact CD1-CD2 4.33Å; L384-L388 HydrophobicContact CD1-CG 3.96Å; L384-L388 HydrophobicContact CD2-CD1 4Å; L384-L388 HydrophobicContact CG-CD1 3.79Å; L384-L388 HydrophobicContact CG-CG 3.99Å; L384-L388 WeakPolarHBondContact O-CG 3.38Å; L384-L388 PolarHBondContact O-N 2.9Å
385	T	90.3	Very high	83.1	Confident	39 Å²	39	39.1 Å²	39.1	24%	0.239	24%	0.236	C	C	.	.	H	α-helix	trans	-58.9	-45.5	-177	-62.3	0	0	0	0	111.9	M364 D382 S387 L388 T389	M364-T385 HydrophobicContact CG-CG2 3.99Å; M364-T385 HydrophobicContact SD-CG2 4.01Å; D382-T385 PolarHBondContact OD1-N 3.12Å; D382-T385 VanDerWaalsContact OD1-N 3.17Å; D382-T385 WeakPolarHBondContact OD2-CB 3.19Å; D382-T385 PolarHBondContact OD2-OG1 3.24Å; T385-S387 VanDerWaalsContact C-N 3.34Å; T385-S387 PolarHBondContact O-N 3.23Å; T385-L388 PolarHBondContact O-N 2.87Å; T385-T389 WeakPolarHBondContact O-CB 3.02Å; T385-T389 PolarHBondContact O-N 3.35Å; T385-T389 PolarHBondContact O-OG1 3.14Å
386	P	88.8	Confident	81.8	Confident	31 Å²	31	44.7 Å²	44.7	20%	0.201	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-41.8	169.5	-24.9	34.7	0	0	0	113.3	I332 L335 D382 T389 L390	I332-P386 HydrophobicContact CG1-CB 3.92Å; L335-P386 HydrophobicContact CD1-CB 4.18Å; D382-P386 WeakPolarHBondContact O-CD 3.35Å; D382-P386 WeakPolarHBondContact O-CG 3.32Å; P386-T389 PolarHBondContact O-N 3.07Å; P386-L390 WeakPolarHBondContact O-CB 3.41Å; P386-L390 PolarHBondContact O-N 3.46Å
387	S	89.1	Confident	80.3	Confident	4 Å²	4	52 Å²	52	3%	0.028	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-49.5	176.8	-60	0	0	0	0	112.4	L335 T383 L384 T385 T389 L390 L391	L335-S387 WeakPolarHBondContact CD1-OG 3.06Å; L335-S387 VanDerWaalsContact CD2-OG 3.23Å; L335-S387 WeakPolarHBondContact CD2-OG 3.37Å; T383-S387 WeakPolarHBondContact O-CB 3.3Å; T383-S387 PolarHBondContact O-N 3.23Å; T383-S387 PolarHBondContact O-OG 3.39Å; L384-S387 CarbonylContact O-C 3.56Å; L384-S387 WeakPolarHBondContact O-CA 3.31Å; L384-S387 VanDerWaalsContact O-CB 3.26Å; L384-S387 WeakPolarHBondContact O-CB 3.27Å; L384-S387 PolarHBondContact O-N 2.81Å; T385-S387 VanDerWaalsContact C-N 3.34Å; T385-S387 PolarHBondContact O-N 3.23Å; S387-T389 VanDerWaalsContact C-N 3.31Å; S387-T389 PolarHBondContact O-N 2.93Å; S387-L390 PolarHBondContact O-N 2.63Å; S387-L391 VanDerWaalsContact O-CB 3.31Å; S387-L391 WeakPolarHBondContact O-CB 3.17Å; S387-L391 WeakPolarHBondContact O-CG 3.27Å; S387-L391 PolarHBondContact O-N 3.21Å
388	L	86.8	Confident	78.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-37.1	178.9	-66.7	177.8	0	0	0	111.3	W361 M364 L384 T385 L391 A392 F422	W361-L388 HydrophobicContact CB-CD1 4.43Å; W361-L388 HydrophobicContact CE3-CB 4.39Å; W361-L388 HydrophobicContact CE3-CD1 4.3Å; M364-L388 HydrophobicContact CE-CB 4.06Å; M364-L388 HydrophobicContact SD-CB 3.7Å; M364-L388 HydrophobicContact SD-CD1 4.19Å; L384-L388 HydrophobicContact CD1-CD1 4.14Å; L384-L388 HydrophobicContact CD1-CD2 4.33Å; L384-L388 HydrophobicContact CD1-CG 3.96Å; L384-L388 HydrophobicContact CD2-CD1 4Å; L384-L388 HydrophobicContact CG-CD1 3.79Å; L384-L388 HydrophobicContact CG-CG 3.99Å; L384-L388 WeakPolarHBondContact O-CG 3.38Å; L384-L388 PolarHBondContact O-N 2.9Å; T385-L388 PolarHBondContact O-N 2.87Å; L388-L391 PolarHBondContact O-N 3.2Å; L388-A392 WeakPolarHBondContact O-CB 3.3Å; L388-A392 PolarHBondContact O-N 3.44Å; L388-F422 HydrophobicContact CD2-CE2 3.68Å; L388-F422 HydrophobicContact CD2-CZ 3.65Å
389	T	85.6	Confident	77.1	Confident	82 Å²	82	52.5 Å²	52.5	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-44.5	176.6	-55.6	0	0	0	0	111.2	M364 T385 P386 S387 P393	M364-T389 WeakPolarHBondContact CE-OG1 3.32Å; T385-T389 WeakPolarHBondContact O-CB 3.02Å; T385-T389 PolarHBondContact O-N 3.35Å; T385-T389 PolarHBondContact O-OG1 3.14Å; P386-T389 PolarHBondContact O-N 3.07Å; S387-T389 VanDerWaalsContact C-N 3.31Å; S387-T389 PolarHBondContact O-N 2.93Å; T389-P393 WeakPolarHBondContact O-CD 3.13Å
390	L	83.6	Confident	76.4	Confident	33 Å²	33	48.9 Å²	48.9	17%	0.173	28%	0.275	C	S	.	.	H	α-helix	trans	-67.5	-38.2	177.8	-170.1	79.6	0	0	0	112.1	L335 E336 K339 P386 S387 Y394	L335-L390 HydrophobicContact CB-CD2 4.09Å; E336-L390 HydrophobicContact CG-CD1 3.58Å; E336-L390 HydrophobicContact CG-CD2 3.89Å; E336-L390 HydrophobicContact CG-CG 4.39Å; K339-L390 HydrophobicContact CD-CD2 3.92Å; K339-L390 HydrophobicContact CD-CG 4.49Å; P386-L390 WeakPolarHBondContact O-CB 3.41Å; P386-L390 PolarHBondContact O-N 3.46Å; S387-L390 PolarHBondContact O-N 2.63Å; L390-Y394 WeakPolarHBondContact O-CD2 3.45Å; L390-Y394 VanDerWaalsContact O-CE2 3.22Å; L390-Y394 WeakPolarHBondContact O-CE2 3.19Å
391	L	78.8	Confident	76	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-87	-33.9	-172.2	-67.8	-175.8	0	0	0	113.7	I289 K339 I349 I351 S387 L388 Y394 F395 Y404	I289-L391 HydrophobicContact CD1-CD1 3.42Å; I289-L391 VanDerWaalsContact CD1-CD1 3.42Å; K339-L391 HydrophobicContact CD-CD2 4.06Å; I349-L391 HydrophobicContact CD1-CD2 4.42Å; I349-L391 HydrophobicContact CG2-CD1 4.48Å; I351-L391 HydrophobicContact CD1-CD1 4.43Å; S387-L391 VanDerWaalsContact O-CB 3.31Å; S387-L391 WeakPolarHBondContact O-CB 3.17Å; S387-L391 WeakPolarHBondContact O-CG 3.27Å; S387-L391 PolarHBondContact O-N 3.21Å; L388-L391 PolarHBondContact O-N 3.2Å; L391-Y394 WeakPolarHBondContact O-CB 3.24Å; L391-Y394 PolarHBondContact O-N 2.95Å; L391-F395 HydrophobicContact CB-CD2 4.26Å; L391-F395 HydrophobicContact CB-CE2 4.02Å; L391-F395 WeakPolarHBondContact O-CD2 3.46Å; L391-F395 PolarHBondContact O-N 2.63Å; L391-Y404 HydrophobicContact CD1-CE1 4.28Å; L391-Y404 HydrophobicContact CD2-CE1 3.89Å
392	A	76.2	Confident	75.5	Confident	11 Å²	11	55.2 Å²	55.2	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-53.3	-44.2	-172.4	0	0	0	0	0	114.8	W361 L388 Y394 F395 I396	W361-A392 HydrophobicContact CH2-CB 3.89Å; W361-A392 HydrophobicContact CZ3-CB 3.87Å; L388-A392 WeakPolarHBondContact O-CB 3.3Å; L388-A392 PolarHBondContact O-N 3.44Å; A392-Y394 PolarHBondContact O-N 3.17Å; A392-F395 PolarHBondContact O-N 3.23Å; A392-I396 WeakPolarHBondContact O-CG1 3.43Å; A392-I396 PolarHBondContact O-N 2.69Å
393	P	72.9	Confident	75.4	Confident	59 Å²	59	55.2 Å²	55.2	38%	0.383	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-30.7	178.2	-23.9	34.6	0	0	0	113.5	T389 I396 R397	T389-P393 WeakPolarHBondContact O-CD 3.13Å; P393-I396 PolarHBondContact O-N 3.15Å; P393-R397 WeakPolarHBondContact O-CB 3.48Å; P393-R397 WeakPolarHBondContact O-CG 3.08Å; P393-R397 PolarHBondContact O-N 2.95Å; P393-R397 VanDerWaalsContact O-N 3.08Å
394	Y	69.4	Low	75.3	Confident	101 Å²	101	55.2 Å²	55.2	40%	0.396	29%	0.293	S	S	.	.	H	α-helix	trans	-75.3	-36	-178.1	-66.1	-97.2	0	0	0	112	K339 L390 L391 A392 I396 R397 S398	K339-Y394 VanDerWaalsContact NZ-CG 3.26Å; L390-Y394 WeakPolarHBondContact O-CD2 3.45Å; L390-Y394 VanDerWaalsContact O-CE2 3.22Å; L390-Y394 WeakPolarHBondContact O-CE2 3.19Å; L391-Y394 WeakPolarHBondContact O-CB 3.24Å; L391-Y394 PolarHBondContact O-N 2.95Å; A392-Y394 PolarHBondContact O-N 3.17Å; Y394-I396 VanDerWaalsContact C-N 3.25Å; Y394-I396 PolarHBondContact O-N 2.76Å; Y394-R397 PolarHBondContact O-N 2.84Å; Y394-S398 WeakPolarHBondContact O-CB 3.5Å; Y394-S398 PolarHBondContact O-N 2.98Å
395	F	66	Low	75.3	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.022	29%	0.293	C	S	.	.	H	α-helix	trans	-68.2	-27.4	174.2	-78.1	-86.5	0	0	0	112.8	I351 L391 A392 F401 Y404 P421 F422	I351-F395 HydrophobicContact CD1-CE2 4.09Å; I351-F395 HydrophobicContact CD1-CZ 3.72Å; L391-F395 HydrophobicContact CB-CD2 4.26Å; L391-F395 HydrophobicContact CB-CE2 4.02Å; L391-F395 WeakPolarHBondContact O-CD2 3.46Å; L391-F395 PolarHBondContact O-N 2.63Å; A392-F395 PolarHBondContact O-N 3.23Å; F395-F401 HydrophobicContact CD1-CD1 4.39Å; F395-F401 HydrophobicContact CD1-CE1 4.19Å; F395-Y404 HydrophobicContact CE1-CD1 4.12Å; F395-Y404 HydrophobicContact CE1-CD2 4Å; F395-Y404 AromaticContact CE1-CG 3.7Å; F395-Y404 HydrophobicContact CE1-CG 3.7Å; F395-Y404 AromaticContact CE2-CD1 3.66Å; F395-Y404 HydrophobicContact CE2-CD1 3.66Å; F395-Y404 HydrophobicContact CE2-CD2 4.43Å; F395-Y404 AromaticContact CE2-CE1 3.64Å; F395-Y404 HydrophobicContact CE2-CE1 3.64Å; F395-Y404 HydrophobicContact CE2-CE2 4.44Å; F395-Y404 HydrophobicContact CE2-CG 4.05Å; F395-Y404 AromaticContact CZ-CD1 3.21Å; F395-Y404 HydrophobicContact CZ-CD1 3.21Å; F395-Y404 AromaticContact CZ-CD2 3.85Å; F395-Y404 HydrophobicContact CZ-CD2 3.85Å; F395-Y404 AromaticContact CZ-CE1 3.71Å; F395-Y404 HydrophobicContact CZ-CE1 3.71Å; F395-Y404 HydrophobicContact CZ-CE2 4.3Å; F395-Y404 AromaticContact CZ-CG 3.26Å; F395-Y404 HydrophobicContact CZ-CG 3.26Å; F395-P421 HydrophobicContact CB-CB 4.42Å; F395-F422 HydrophobicContact CB-CE1 4.47Å; F395-F422 AromaticContact CD1-CD1 3.73Å; F395-F422 HydrophobicContact CD1-CD1 3.73Å; F395-F422 AromaticContact CD1-CE1 3.98Å; F395-F422 HydrophobicContact CD1-CE1 3.98Å; F395-F422 HydrophobicContact CD2-CD1 4.08Å; F395-F422 AromaticContact CD2-CE1 3.44Å; F395-F422 HydrophobicContact CD2-CE1 3.44Å; F395-F422 VanDerWaalsContact CD2-CE1 3.44Å; F395-F422 HydrophobicContact CD2-CZ 4.47Å; F395-F422 AromaticContact CE1-CD1 3.68Å; F395-F422 HydrophobicContact CE1-CD1 3.68Å; F395-F422 AromaticContact CE1-CE1 3.95Å; F395-F422 HydrophobicContact CE1-CE1 3.95Å; F395-F422 HydrophobicContact CE2-CD1 4.03Å; F395-F422 AromaticContact CE2-CE1 3.4Å; F395-F422 HydrophobicContact CE2-CE1 3.4Å; F395-F422 HydrophobicContact CE2-CZ 4.26Å; F395-F422 AromaticContact CG-CD1 3.91Å; F395-F422 HydrophobicContact CG-CD1 3.91Å; F395-F422 AromaticContact CG-CE1 3.71Å; F395-F422 HydrophobicContact CG-CE1 3.71Å; F395-F422 AromaticContact CZ-CD1 3.8Å; F395-F422 HydrophobicContact CZ-CD1 3.8Å; F395-F422 AromaticContact CZ-CE1 3.64Å; F395-F422 HydrophobicContact CZ-CE1 3.64Å
396	I	62.3	Low	75.5	Confident	128 Å²	128	53.3 Å²	53.3	66%	0.656	28%	0.282	S	S	*	.	H	α-helix	trans	-84.1	-29.8	179.4	-61.9	166.7	0	0	0	111.4	A392 P393 Y394	A392-I396 WeakPolarHBondContact O-CG1 3.43Å; A392-I396 PolarHBondContact O-N 2.69Å; P393-I396 PolarHBondContact O-N 3.15Å; Y394-I396 VanDerWaalsContact C-N 3.25Å; Y394-I396 PolarHBondContact O-N 2.76Å
397	R	56.5	Low	75.9	Confident	225 Å²	225	51.9 Å²	51.9	85%	0.849	27%	0.272	S	S	*	.	H	α-helix	trans	-110.2	-16.2	-170.4	-64.4	-179.9	179.3	-174.4	0.1	115.7	P393 Y394	P393-R397 WeakPolarHBondContact O-CB 3.48Å; P393-R397 WeakPolarHBondContact O-CG 3.08Å; P393-R397 PolarHBondContact O-N 2.95Å; P393-R397 VanDerWaalsContact O-N 3.08Å; Y394-R397 PolarHBondContact O-N 2.84Å
398	S	54	Low	76.3	Confident	44 Å²	44	51.8 Å²	51.8	31%	0.308	27%	0.271	S	S	.	.			trans	-110.1	146	-170.1	-172.1	0	0	0	0	114.3	Y394 S400	Y394-S398 WeakPolarHBondContact O-CB 3.5Å; Y394-S398 PolarHBondContact O-N 2.98Å; S398-S400 VanDerWaalsContact C-N 3.3Å; S398-S400 PolarHBondContact OG-N 3Å; S398-S400 VanDerWaalsContact OG-N 3.1Å; S398-S400 PolarHBondContact OG-OG 2.75Å
399	A	50.8	Low	76.8	Confident	101 Å²	101	51.9 Å²	51.9	84%	0.835	27%	0.271	S	S	*	.	S	Bend	trans	-81.6	1.3	168.2	0	0	0	0	0	113.9	F401	A399-F401 PolarHBondContact O-N 2.86Å
400	S	59.9	Low	77.2	Confident	53 Å²	53	50 Å²	50	37%	0.371	26%	0.258	S	S	.	.			trans	-90.9	46.3	-172.1	66.8	0	0	0	0	115.3	S398 E402 K403	S398-S400 VanDerWaalsContact C-N 3.3Å; S398-S400 PolarHBondContact OG-N 3Å; S398-S400 VanDerWaalsContact OG-N 3.1Å; S398-S400 PolarHBondContact OG-OG 2.75Å; S400-E402 PolarHBondContact O-N 2.76Å; S400-K403 PolarHBondContact O-N 2.9Å
401	F	69.1	Low	77.7	Confident	67 Å²	67	51 Å²	51	29%	0.294	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-57.8	-17.7	173.5	-64.1	-66.4	0	0	0	113.9	F395 A399 K403 Y404 I424 R440	F395-F401 HydrophobicContact CD1-CD1 4.39Å; F395-F401 HydrophobicContact CD1-CE1 4.19Å; A399-F401 PolarHBondContact O-N 2.86Å; F401-K403 PolarHBondContact O-N 3.44Å; F401-Y404 PolarHBondContact O-N 2.65Å; F401-Y404 VanDerWaalsContact O-O 3.12Å; F401-I424 HydrophobicContact CE1-CD1 3.45Å; F401-I424 VanDerWaalsContact CE1-CD1 3.45Å; F401-I424 HydrophobicContact CE1-CG1 3.65Å; F401-I424 HydrophobicContact CE2-CD1 4.49Å; F401-I424 HydrophobicContact CZ-CD1 3.34Å; F401-I424 HydrophobicContact CZ-CG1 3.82Å; F401-R440 PolarHBondContact O-NH2 2.78Å
402	E	76.8	Confident	78.5	Confident	117 Å²	117	51.3 Å²	51.3	55%	0.547	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-56.4	-35.1	179.1	-167.2	-177.2	169.7	0	0	112.6	K348 S400 Y404 R440 N443	K348-E402 VanDerWaalsContact CD-O 3.31Å; K348-E402 WeakPolarHBondContact CD-O 3.32Å; K348-E402 WeakPolarHBondContact CE-O 3.48Å; S400-E402 PolarHBondContact O-N 2.76Å; E402-Y404 PolarHBondContact O-N 3.15Å; E402-R440 PolarHBondContact O-NH2 2.85Å; E402-N443 PolarHBondContact OE1-OD1 3.29Å
403	K	85.4	Confident	79.5	Confident	44 Å²	44	51.5 Å²	51.5	19%	0.191	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-75	-22.2	-177.7	-62.5	-65.9	-172.5	169.1	0	114.1	I342 S345 K348 I349 S400 F401	I342-K403 PolarHBondContact O-NZ 2.95Å; S345-K403 PolarHBondContact O-NZ 3.24Å; K348-K403 WeakPolarHBondContact CA-O 3.33Å; I349-K403 PolarHBondContact N-O 3.09Å; S400-K403 PolarHBondContact O-N 2.9Å; F401-K403 PolarHBondContact O-N 3.44Å
404	Y	87.8	Confident	80.4	Confident	10 Å²	10	50.8 Å²	50.8	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.9	-171.7	-59.9	-85.1	0	0	0	111.2	I349 I351 L391 F395 F401 E402 R440	I349-Y404 HydrophobicContact CB-CD1 3.91Å; I349-Y404 HydrophobicContact CB-CE1 4.24Å; I349-Y404 HydrophobicContact CD1-CD1 4.2Å; I349-Y404 HydrophobicContact CD1-CE1 3.64Å; I349-Y404 HydrophobicContact CG1-CE1 4.45Å; I349-Y404 HydrophobicContact CG2-CD1 4.18Å; I349-Y404 HydrophobicContact CG2-CE1 4.45Å; I349-Y404 WeakPolarHBondContact O-CA 3.3Å; I351-Y404 HydrophobicContact CD1-CD1 4.48Å; L391-Y404 HydrophobicContact CD1-CE1 4.28Å; L391-Y404 HydrophobicContact CD2-CE1 3.89Å; F395-Y404 HydrophobicContact CE1-CD1 4.12Å; F395-Y404 HydrophobicContact CE1-CD2 4Å; F395-Y404 AromaticContact CE1-CG 3.7Å; F395-Y404 HydrophobicContact CE1-CG 3.7Å; F395-Y404 AromaticContact CE2-CD1 3.66Å; F395-Y404 HydrophobicContact CE2-CD1 3.66Å; F395-Y404 HydrophobicContact CE2-CD2 4.43Å; F395-Y404 AromaticContact CE2-CE1 3.64Å; F395-Y404 HydrophobicContact CE2-CE1 3.64Å; F395-Y404 HydrophobicContact CE2-CE2 4.44Å; F395-Y404 HydrophobicContact CE2-CG 4.05Å; F395-Y404 AromaticContact CZ-CD1 3.21Å; F395-Y404 HydrophobicContact CZ-CD1 3.21Å; F395-Y404 AromaticContact CZ-CD2 3.85Å; F395-Y404 HydrophobicContact CZ-CD2 3.85Å; F395-Y404 AromaticContact CZ-CE1 3.71Å; F395-Y404 HydrophobicContact CZ-CE1 3.71Å; F395-Y404 HydrophobicContact CZ-CE2 4.3Å; F395-Y404 AromaticContact CZ-CG 3.26Å; F395-Y404 HydrophobicContact CZ-CG 3.26Å; F401-Y404 PolarHBondContact O-N 2.65Å; F401-Y404 VanDerWaalsContact O-O 3.12Å; E402-Y404 PolarHBondContact O-N 3.15Å; Y404-R440 VanDerWaalsContact O-CZ 3.28Å; Y404-R440 PolarHBondContact O-NH1 2.87Å; Y404-R440 PolarHBondContact O-NH2 3.27Å
405	I	92.2	Very high	81.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.1	174.4	-54	174.1	0	0	0	107.1	K348 I349 L350 I351 Y428 V437 R440 I441	K348-I405 HydrophobicContact CB-CD1 3.87Å; K348-I405 HydrophobicContact CB-CG1 4.36Å; K348-I405 HydrophobicContact CG-CD1 4.05Å; I349-I405 PolarHBondContact O-N 3.22Å; L350-I405 CarbonylContact C-O 3.48Å; L350-I405 WeakPolarHBondContact CA-O 3.34Å; L350-I405 HydrophobicContact CD1-CB 3.82Å; L350-I405 HydrophobicContact CD1-CG2 3.61Å; I351-I405 PolarHBondContact N-O 3.08Å; I405-Y428 HydrophobicContact CG2-CD2 3.89Å; I405-Y428 HydrophobicContact CG2-CE2 4.2Å; I405-V437 HydrophobicContact CG2-CG1 4.15Å; I405-V437 HydrophobicContact CG2-CG2 4.22Å; I405-R440 HydrophobicContact CD1-CB 3.7Å; I405-R440 HydrophobicContact CG1-CB 4.15Å; I405-I441 HydrophobicContact CD1-CG1 3.69Å
406	V	93.8	Very high	82.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.8	179.6	178.1	0	0	0	0	108	I418 F422 T425 R427 Y428	V406-I418 HydrophobicContact CG1-CD1 4.47Å; V406-I418 HydrophobicContact CG1-CG2 3.96Å; V406-F422 HydrophobicContact CG1-CB 4.23Å; V406-F422 HydrophobicContact CG2-CB 4.06Å; V406-F422 HydrophobicContact CG2-CG 4.45Å; V406-T425 HydrophobicContact CB-CG2 4.15Å; V406-T425 HydrophobicContact CG2-CG2 3.53Å; V406-R427 WeakPolarHBondContact O-CA 3.48Å; V406-Y428 WeakPolarHBondContact O-CD2 3.41Å; V406-Y428 PolarHBondContact O-N 3.4Å
407	A	96.7	Very high	84.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	160.1	-174.6	0	0	0	0	0	111.6	L350 I351 L352 C353 Y428 L430	L350-A407 HydrophobicContact CD1-CB 3.87Å; I351-A407 PolarHBondContact O-N 3.05Å; I351-A407 VanDerWaalsContact O-O 3.13Å; L352-A407 CarbonylContact C-O 3.58Å; L352-A407 WeakPolarHBondContact CA-O 3.44Å; L352-A407 HydrophobicContact CD2-CB 4.38Å; C353-A407 PolarHBondContact N-O 2.9Å; A407-Y428 WeakPolarHBondContact CA-O 3.42Å; A407-L430 HydrophobicContact CB-CD1 3.8Å; A407-L430 HydrophobicContact CB-CD2 4.43Å; A407-L430 HydrophobicContact CB-CG 3.92Å
408	Y	97.6	Very high	86.1	Confident	3 Å²	3	40.4 Å²	40.4	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	153.2	174.9	70.8	-82.9	0	0	0	110.2	C353 D410 C413 E415 I418 Y428 K429 L430	C353-Y408 VanDerWaalsContact O-CB 3.24Å; C353-Y408 WeakPolarHBondContact O-CB 3.36Å; Y408-D410 HydrophobicContact CE2-CB 3.99Å; Y408-D410 WeakPolarHBondContact CE2-OD1 3.35Å; Y408-D410 PolarHBondContact O-N 2.98Å; Y408-D410 PolarHBondContact OH-OD1 2.06Å; Y408-C413 HydrophobicContact CD2-CB 4.11Å; Y408-E415 HydrophobicContact CE1-CB 4.38Å; Y408-I418 HydrophobicContact CD1-CD1 3.85Å; Y408-I418 HydrophobicContact CE1-CD1 4.16Å; Y408-Y428 PolarHBondContact N-O 3.38Å; Y408-K429 HydrophobicContact CE1-CG 3.97Å; Y408-K429 WeakPolarHBondContact OH-CD 3.46Å; Y408-K429 WeakPolarHBondContact OH-CE 3.43Å; Y408-K429 WeakPolarHBondContact OH-CG 3.28Å; Y408-K429 PolarHBondContact OH-NZ 2.79Å; Y408-L430 WeakPolarHBondContact O-CB 3.16Å; Y408-L430 PolarHBondContact O-N 2.92Å
409	F	97.3	Very high	87.8	Confident	1 Å²	1	38.3 Å²	38.3	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	105.4	176.5	-69.6	-80.8	0	0	0	110.2	Y297 I300 F304 L352 D411 V412 C413 L430 M431 L472 I476	Y297-F409 HydrophobicContact CE2-CD2 4.41Å; I300-F409 HydrophobicContact CG2-CD1 4.42Å; I300-F409 HydrophobicContact CG2-CD2 3.92Å; I300-F409 HydrophobicContact CG2-CE1 4.18Å; I300-F409 HydrophobicContact CG2-CE2 3.65Å; I300-F409 HydrophobicContact CG2-CG 4.3Å; I300-F409 HydrophobicContact CG2-CZ 3.79Å; F304-F409 HydrophobicContact CB-CZ 3.94Å; F304-F409 HydrophobicContact CD1-CZ 4.28Å; F304-F409 HydrophobicContact CD2-CE1 4.21Å; F304-F409 AromaticContact CD2-CZ 3.83Å; F304-F409 HydrophobicContact CD2-CZ 3.83Å; F304-F409 HydrophobicContact CE2-CZ 4.41Å; F304-F409 AromaticContact CG-CZ 3.75Å; F304-F409 HydrophobicContact CG-CZ 3.75Å; L352-F409 HydrophobicContact CD1-CE2 4.28Å; L352-F409 HydrophobicContact CD2-CE2 4.25Å; F409-D411 PolarHBondContact O-N 3.33Å; F409-D411 VanDerWaalsContact O-N 3.09Å; F409-V412 HydrophobicContact CB-CG2 3.58Å; F409-V412 PolarHBondContact O-N 3.49Å; F409-V412 VanDerWaalsContact O-N 3.08Å; F409-C413 WeakPolarHBondContact O-CA 3.36Å; F409-C413 WeakPolarHBondContact O-CB 3.4Å; F409-C413 PolarHBondContact O-N 2.94Å; F409-L430 WeakPolarHBondContact CA-O 3.29Å; F409-L430 HydrophobicContact CD1-CB 3.67Å; F409-L430 HydrophobicContact CE1-CB 3.83Å; F409-L430 HydrophobicContact CE1-CD1 4.12Å; F409-L430 HydrophobicContact CE2-CD1 4.34Å; F409-L430 HydrophobicContact CG-CB 4.25Å; F409-L430 HydrophobicContact CZ-CD1 4.01Å; F409-M431 HydrophobicContact CE1-SD 4.28Å; F409-L472 HydrophobicContact CE1-CD1 4.36Å; F409-I476 HydrophobicContact CD1-CD1 3.7Å; F409-I476 HydrophobicContact CD1-CG1 4.31Å; F409-I476 HydrophobicContact CE1-CD1 3.9Å
410	D	94.3	Very high	89.4	Confident	43 Å²	43	37.2 Å²	37.2	23%	0.23	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.5	-170.1	-165.2	65	0	0	0	113.6	Y408 K429 L430 K432	Y408-D410 HydrophobicContact CE2-CB 3.99Å; Y408-D410 WeakPolarHBondContact CE2-OD1 3.35Å; Y408-D410 PolarHBondContact O-N 2.98Å; Y408-D410 PolarHBondContact OH-OD1 2.06Å; D410-K429 HydrophobicContact CB-CB 4.23Å; D410-K429 IonicContact OD1-NZ 2.9Å; D410-L430 PolarHBondContact N-O 2.82Å; D410-L430 VanDerWaalsContact N-O 3.08Å; D410-K432 IonicContact OD2-NZ 2.74Å; D410-K432 PolarHBondContact OD2-NZ 2.83Å
411	D	93.5	Very high	90.5	Very high	54 Å²	54	35.5 Å²	35.5	29%	0.289	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-20.3	177.1	-74.6	-50.6	0	0	0	114.6	F409 I476 R480	F409-D411 PolarHBondContact O-N 3.33Å; F409-D411 VanDerWaalsContact O-N 3.09Å; D411-I476 HydrophobicContact CB-CG2 3.73Å; D411-R480 IonicContact OD1-CZ 3.33Å; D411-R480 IonicContact OD1-NH1 2.93Å; D411-R480 PolarHBondContact OD1-NH1 3.14Å
412	V	96.4	Very high	91.1	Very high	12 Å²	12	32.3 Å²	32.3	7%	0.073	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-9.7	-173.2	-64.8	0	0	0	0	113.8	I300 F409 I476 F479 R480 Q483	I300-V412 HydrophobicContact CD1-CG2 4.19Å; F409-V412 HydrophobicContact CB-CG2 3.58Å; F409-V412 PolarHBondContact O-N 3.49Å; F409-V412 VanDerWaalsContact O-N 3.08Å; V412-I476 HydrophobicContact CG1-CG2 4.21Å; V412-F479 HydrophobicContact CB-CD1 3.78Å; V412-F479 HydrophobicContact CB-CE1 4.19Å; V412-F479 HydrophobicContact CG1-CB 4.26Å; V412-F479 HydrophobicContact CG1-CD1 3.82Å; V412-F479 HydrophobicContact CG1-CG 4.38Å; V412-F479 HydrophobicContact CG2-CD1 4.16Å; V412-R480 HydrophobicContact CG1-CB 3.87Å; V412-Q483 PolarHBondContact O-NE2 2.88Å; V412-Q483 PolarHBondContact O-OE1 2.97Å
413	C	96.2	Very high	91.3	Very high	14 Å²	14	31.6 Å²	31.6	10%	0.095	17%	0.166	C	C	.	.			trans	-136.6	165	-179.7	-61.7	0	0	0	0	109.6	Y408 F409	Y408-C413 HydrophobicContact CD2-CB 4.11Å; F409-C413 WeakPolarHBondContact O-CA 3.36Å; F409-C413 WeakPolarHBondContact O-CB 3.4Å; F409-C413 PolarHBondContact O-N 2.94Å
414	S	93.6	Very high	91	Very high	44 Å²	44	34.7 Å²	34.7	31%	0.308	18%	0.184	S	C	.	.			trans	-124.6	163.1	-176.3	71.2	0	0	0	0	112.1	E416 D417	S414-E416 PolarHBondContact O-N 3.41Å; S414-E416 PolarHBondContact OG-N 3.2Å; S414-D417 PolarHBondContact N-OD2 3.02Å; S414-D417 VanDerWaalsContact O-CB 3.29Å; S414-D417 WeakPolarHBondContact O-CB 3.25Å; S414-D417 PolarHBondContact O-N 2.65Å; S414-D417 VanDerWaalsContact O-N 3.14Å; S414-D417 VanDerWaalsContact OG-CG 3.29Å; S414-D417 PolarHBondContact OG-OD2 2.94Å
415	E	92.6	Very high	90.5	Very high	76 Å²	76	35 Å²	35	36%	0.355	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-64.6	-22	174.1	-167.8	178.4	131.9	0	0	112.8	Y408 D417 I418 R427	Y408-E415 HydrophobicContact CE1-CB 4.38Å; E415-D417 PolarHBondContact O-N 3.22Å; E415-I418 HydrophobicContact CG-CD1 4.19Å; E415-I418 WeakPolarHBondContact O-CB 3.32Å; E415-I418 PolarHBondContact O-N 2.95Å; E415-R427 VanDerWaalsContact CD-CZ 3.49Å; E415-R427 VanDerWaalsContact CG-NH1 3.3Å; E415-R427 IonicContact OE1-CZ 2.77Å; E415-R427 IonicContact OE1-NH1 3.86Å; E415-R427 PolarHBondContact OE1-NH1 2.96Å; E415-R427 IonicContact OE1-NH2 2.98Å; E415-R427 PolarHBondContact OE1-NH2 3.09Å; E415-R427 IonicContact OE2-NH2 3.96Å
416	E	92.4	Very high	90.3	Very high	144 Å²	144	39.1 Å²	39.1	67%	0.673	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-70.4	-20.9	176.4	-59.5	-174.5	-173.7	0	0	113.1	Q358 S414 I418	Q358-E416 PolarHBondContact NE2-O 3.08Å; S414-E416 PolarHBondContact O-N 3.41Å; S414-E416 PolarHBondContact OG-N 3.2Å; E416-I418 PolarHBondContact O-N 3.3Å
417	D	94.2	Very high	90.2	Very high	21 Å²	21	42.9 Å²	42.9	11%	0.112	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-75.4	-2.3	177.1	-61.9	-45.4	0	0	0	112.7	R355 S414 E415 P419	R355-D417 WeakPolarHBondContact CA-OD1 3.5Å; S414-D417 PolarHBondContact N-OD2 3.02Å; S414-D417 VanDerWaalsContact O-CB 3.29Å; S414-D417 WeakPolarHBondContact O-CB 3.25Å; S414-D417 PolarHBondContact O-N 2.65Å; S414-D417 VanDerWaalsContact O-N 3.14Å; S414-D417 VanDerWaalsContact OG-CG 3.29Å; S414-D417 PolarHBondContact OG-OD2 2.94Å; E415-D417 PolarHBondContact O-N 3.22Å; D417-P419 WeakPolarHBondContact O-CD 3.39Å
418	I	92.7	Very high	90.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-89.1	118.9	177.4	-57	172.3	0	0	0	109.6	C353 V406 Y408 E415 E416 F422 K423 R427	C353-I418 HydrophobicContact CB-CB 4.44Å; C353-I418 HydrophobicContact CB-CG1 3.7Å; V406-I418 HydrophobicContact CG1-CD1 4.47Å; V406-I418 HydrophobicContact CG1-CG2 3.96Å; Y408-I418 HydrophobicContact CD1-CD1 3.85Å; Y408-I418 HydrophobicContact CE1-CD1 4.16Å; E415-I418 HydrophobicContact CG-CD1 4.19Å; E415-I418 WeakPolarHBondContact O-CB 3.32Å; E415-I418 PolarHBondContact O-N 2.95Å; E416-I418 PolarHBondContact O-N 3.3Å; I418-F422 HydrophobicContact CG2-CB 3.81Å; I418-K423 HydrophobicContact CG2-CG 4.22Å; I418-K423 WeakPolarHBondContact O-CE 3.38Å; I418-R427 HydrophobicContact CD1-CB 3.95Å; I418-R427 HydrophobicContact CD1-CG 3.83Å
419	P	90.2	Very high	90	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.			trans	-52.3	147.1	172.7	-32.7	37.4	0	0	0	114.4	V357 W361 D417 F422 K423	V357-P419 HydrophobicContact CG1-CG 3.8Å; W361-P419 HydrophobicContact CB-CB 4.18Å; W361-P419 HydrophobicContact CB-CG 3.85Å; W361-P419 HydrophobicContact CD2-CB 3.97Å; W361-P419 HydrophobicContact CD2-CG 4.47Å; W361-P419 HydrophobicContact CG-CB 3.65Å; W361-P419 HydrophobicContact CG-CG 3.89Å; D417-P419 WeakPolarHBondContact O-CD 3.39Å; P419-F422 HydrophobicContact CB-CD2 3.71Å; P419-F422 HydrophobicContact CB-CE2 3.94Å; P419-F422 HydrophobicContact CB-CG 4.48Å; P419-F422 HydrophobicContact CG-CD2 3.81Å; P419-F422 HydrophobicContact CG-CE2 3.87Å; P419-F422 PolarHBondContact O-N 2.92Å; P419-K423 PolarHBondContact O-N 3.15Å
420	S	85	Confident	89.9	Confident	78 Å²	78	47.1 Å²	47.1	55%	0.545	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-55.2	-38.6	-177.7	49.9	0	0	0	0	115.1	F422 K423	S420-F422 PolarHBondContact O-N 2.87Å; S420-K423 PolarHBondContact O-N 3.38Å
421	P	82	Confident	89.9	Confident	18 Å²	18	45.3 Å²	45.3	12%	0.117	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-65.5	-21.2	178.1	-18.6	32.1	0	0	0	113.4	W361 F395 I424	W361-P421 HydrophobicContact CH2-CG 3.63Å; W361-P421 HydrophobicContact CZ2-CG 3.21Å; F395-P421 HydrophobicContact CB-CB 4.42Å; P421-I424 WeakPolarHBondContact O-CD1 3.29Å; P421-I424 WeakPolarHBondContact O-CG1 3.45Å
422	F	82.6	Confident	89.9	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-94	-5.8	-178.5	-53.9	-32.2	0	0	0	112.8	I351 L388 F395 V406 I418 P419 S420 I424 T425	I351-F422 HydrophobicContact CD1-CE1 4.2Å; I351-F422 HydrophobicContact CD1-CE2 4.3Å; I351-F422 HydrophobicContact CD1-CZ 4.06Å; I351-F422 HydrophobicContact CG2-CE2 4.4Å; L388-F422 HydrophobicContact CD2-CE2 3.68Å; L388-F422 HydrophobicContact CD2-CZ 3.65Å; F395-F422 HydrophobicContact CB-CE1 4.47Å; F395-F422 AromaticContact CD1-CD1 3.73Å; F395-F422 HydrophobicContact CD1-CD1 3.73Å; F395-F422 AromaticContact CD1-CE1 3.98Å; F395-F422 HydrophobicContact CD1-CE1 3.98Å; F395-F422 HydrophobicContact CD2-CD1 4.08Å; F395-F422 AromaticContact CD2-CE1 3.44Å; F395-F422 HydrophobicContact CD2-CE1 3.44Å; F395-F422 VanDerWaalsContact CD2-CE1 3.44Å; F395-F422 HydrophobicContact CD2-CZ 4.47Å; F395-F422 AromaticContact CE1-CD1 3.68Å; F395-F422 HydrophobicContact CE1-CD1 3.68Å; F395-F422 AromaticContact CE1-CE1 3.95Å; F395-F422 HydrophobicContact CE1-CE1 3.95Å; F395-F422 HydrophobicContact CE2-CD1 4.03Å; F395-F422 AromaticContact CE2-CE1 3.4Å; F395-F422 HydrophobicContact CE2-CE1 3.4Å; F395-F422 HydrophobicContact CE2-CZ 4.26Å; F395-F422 AromaticContact CG-CD1 3.91Å; F395-F422 HydrophobicContact CG-CD1 3.91Å; F395-F422 AromaticContact CG-CE1 3.71Å; F395-F422 HydrophobicContact CG-CE1 3.71Å; F395-F422 AromaticContact CZ-CD1 3.8Å; F395-F422 HydrophobicContact CZ-CD1 3.8Å; F395-F422 AromaticContact CZ-CE1 3.64Å; F395-F422 HydrophobicContact CZ-CE1 3.64Å; V406-F422 HydrophobicContact CG1-CB 4.23Å; V406-F422 HydrophobicContact CG2-CB 4.06Å; V406-F422 HydrophobicContact CG2-CG 4.45Å; I418-F422 HydrophobicContact CG2-CB 3.81Å; P419-F422 HydrophobicContact CB-CD2 3.71Å; P419-F422 HydrophobicContact CB-CE2 3.94Å; P419-F422 HydrophobicContact CB-CG 4.48Å; P419-F422 HydrophobicContact CG-CD2 3.81Å; P419-F422 HydrophobicContact CG-CE2 3.87Å; P419-F422 PolarHBondContact O-N 2.92Å; S420-F422 PolarHBondContact O-N 2.87Å; F422-I424 PolarHBondContact O-N 3.29Å; F422-T425 WeakPolarHBondContact O-CG2 3.41Å; F422-T425 PolarHBondContact O-N 3.19Å
423	K	81.9	Confident	89.7	Confident	101 Å²	101	49.8 Å²	49.8	44%	0.439	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-13.5	178.6	-66.5	-171.2	-179.4	-171	0	113.8	I418 P419 S420 T425	I418-K423 HydrophobicContact CG2-CG 4.22Å; I418-K423 WeakPolarHBondContact O-CE 3.38Å; P419-K423 PolarHBondContact O-N 3.15Å; S420-K423 PolarHBondContact O-N 3.38Å; K423-T425 VanDerWaalsContact C-N 3.32Å
424	I	77.7	Confident	89.6	Confident	110 Å²	110	49.2 Å²	49.2	56%	0.564	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.6	177.7	65.5	-171.1	0	0	0	113.4	F401 P421 F422	F401-I424 HydrophobicContact CE1-CD1 3.45Å; F401-I424 VanDerWaalsContact CE1-CD1 3.45Å; F401-I424 HydrophobicContact CE1-CG1 3.65Å; F401-I424 HydrophobicContact CE2-CD1 4.49Å; F401-I424 HydrophobicContact CZ-CD1 3.34Å; F401-I424 HydrophobicContact CZ-CG1 3.82Å; P421-I424 WeakPolarHBondContact O-CD1 3.29Å; P421-I424 WeakPolarHBondContact O-CG1 3.45Å; F422-I424 PolarHBondContact O-N 3.29Å
425	T	78.6	Confident	89.4	Confident	17 Å²	17	48.2 Å²	48.2	10%	0.104	24%	0.237	C	C	.	.	S	Bend	trans	-103.3	167.2	177.4	179.1	0	0	0	0	111.5	V406 F422 K423	V406-T425 HydrophobicContact CB-CG2 4.15Å; V406-T425 HydrophobicContact CG2-CG2 3.53Å; F422-T425 WeakPolarHBondContact O-CG2 3.41Å; F422-T425 PolarHBondContact O-N 3.19Å; K423-T425 VanDerWaalsContact C-N 3.32Å
426	V	86.5	Confident	89.3	Confident	86 Å²	86	47.3 Å²	47.3	52%	0.521	23%	0.233	S	C	.	.			trans	-66.6	133.5	175.6	-174.5	0	0	0	0	109.6	Y428	V426-Y428 HydrophobicContact CB-CE2 3.86Å; V426-Y428 WeakPolarHBondContact CB-OH 3.08Å; V426-Y428 HydrophobicContact CG1-CD2 4.47Å; V426-Y428 HydrophobicContact CG1-CE1 3.92Å; V426-Y428 HydrophobicContact CG1-CE2 3.75Å; V426-Y428 VanDerWaalsContact CG1-CZ 3.42Å; V426-Y428 WeakPolarHBondContact CG1-OH 3.3Å; V426-Y428 WeakPolarHBondContact O-CE2 3.42Å
427	R	92.1	Very high	89.3	Confident	78 Å²	78	40.4 Å²	40.4	29%	0.294	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.3	-174.6	-59.4	162.9	-62.7	160.8	12.8	108.7	V406 E415 I418	V406-R427 WeakPolarHBondContact O-CA 3.48Å; E415-R427 VanDerWaalsContact CD-CZ 3.49Å; E415-R427 VanDerWaalsContact CG-NH1 3.3Å; E415-R427 IonicContact OE1-CZ 2.77Å; E415-R427 IonicContact OE1-NH1 3.86Å; E415-R427 PolarHBondContact OE1-NH1 2.96Å; E415-R427 IonicContact OE1-NH2 2.98Å; E415-R427 PolarHBondContact OE1-NH2 3.09Å; E415-R427 IonicContact OE2-NH2 3.96Å; I418-R427 HydrophobicContact CD1-CB 3.95Å; I418-R427 HydrophobicContact CD1-CG 3.83Å
428	Y	94.6	Very high	89.1	Confident	24 Å²	24	40.2 Å²	40.2	9%	0.094	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.7	-172.5	-61.9	-88.4	0	0	0	111.4	I405 V406 A407 Y408 V426 Q433 E436 V437 R440	I405-Y428 HydrophobicContact CG2-CD2 3.89Å; I405-Y428 HydrophobicContact CG2-CE2 4.2Å; V406-Y428 WeakPolarHBondContact O-CD2 3.41Å; V406-Y428 PolarHBondContact O-N 3.4Å; A407-Y428 WeakPolarHBondContact CA-O 3.42Å; Y408-Y428 PolarHBondContact N-O 3.38Å; V426-Y428 HydrophobicContact CB-CE2 3.86Å; V426-Y428 WeakPolarHBondContact CB-OH 3.08Å; V426-Y428 HydrophobicContact CG1-CD2 4.47Å; V426-Y428 HydrophobicContact CG1-CE1 3.92Å; V426-Y428 HydrophobicContact CG1-CE2 3.75Å; V426-Y428 VanDerWaalsContact CG1-CZ 3.42Å; V426-Y428 WeakPolarHBondContact CG1-OH 3.3Å; V426-Y428 WeakPolarHBondContact O-CE2 3.42Å; Y428-Q433 HydrophobicContact CD1-CB 4.29Å; Y428-E436 HydrophobicContact CD1-CB 3.93Å; Y428-E436 HydrophobicContact CE1-CB 3.65Å; Y428-V437 HydrophobicContact CD1-CG2 3.68Å; Y428-V437 HydrophobicContact CD2-CG2 4.02Å; Y428-V437 HydrophobicContact CG-CG2 3.37Å; Y428-R440 WeakPolarHBondContact OH-CD 3.39Å
429	K	95.8	Very high	89	Confident	69 Å²	69	40.6 Å²	40.6	30%	0.3	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	111	174.3	-57.5	-167	179	-148.9	0	109.8	Y408 D410 K432 Q433	Y408-K429 HydrophobicContact CE1-CG 3.97Å; Y408-K429 WeakPolarHBondContact OH-CD 3.46Å; Y408-K429 WeakPolarHBondContact OH-CE 3.43Å; Y408-K429 WeakPolarHBondContact OH-CG 3.28Å; Y408-K429 PolarHBondContact OH-NZ 2.79Å; D410-K429 HydrophobicContact CB-CB 4.23Å; D410-K429 IonicContact OD1-NZ 2.9Å; K429-K432 HydrophobicContact CB-CB 4.31Å; K429-K432 PolarHBondContact O-N 2.86Å; K429-Q433 HydrophobicContact CB-CG 4.48Å; K429-Q433 PolarHBondContact O-N 2.83Å
430	L	95.9	Very high	88.9	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.6	174.6	-60.3	179.4	0	0	0	109.7	F304 L352 A407 Y408 F409 D410 F434 V437	F304-L430 HydrophobicContact CE2-CD1 4.2Å; F304-L430 HydrophobicContact CZ-CD1 3.98Å; L352-L430 HydrophobicContact CD2-CD1 3.7Å; A407-L430 HydrophobicContact CB-CD1 3.8Å; A407-L430 HydrophobicContact CB-CD2 4.43Å; A407-L430 HydrophobicContact CB-CG 3.92Å; Y408-L430 WeakPolarHBondContact O-CB 3.16Å; Y408-L430 PolarHBondContact O-N 2.92Å; F409-L430 WeakPolarHBondContact CA-O 3.29Å; F409-L430 HydrophobicContact CD1-CB 3.67Å; F409-L430 HydrophobicContact CE1-CB 3.83Å; F409-L430 HydrophobicContact CE1-CD1 4.12Å; F409-L430 HydrophobicContact CE2-CD1 4.34Å; F409-L430 HydrophobicContact CG-CB 4.25Å; F409-L430 HydrophobicContact CZ-CD1 4.01Å; D410-L430 PolarHBondContact N-O 2.82Å; D410-L430 VanDerWaalsContact N-O 3.08Å; L430-F434 HydrophobicContact CD2-CB 4.14Å; L430-F434 HydrophobicContact CD2-CD2 3.85Å; L430-V437 HydrophobicContact CD2-CG2 4.03Å
431	M	93.9	Very high	89.2	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.025	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.7	7.4	1	-69	-63.4	-70.9	0	0	114.5	F304 F307 F409 Q433 F434 Y463 L472	F304-M431 HydrophobicContact CD2-SD 4.34Å; F304-M431 HydrophobicContact CE2-SD 4.11Å; F307-M431 HydrophobicContact CD1-CE 4.22Å; F307-M431 HydrophobicContact CE1-CE 3.61Å; F307-M431 HydrophobicContact CZ-CE 4.12Å; F409-M431 HydrophobicContact CE1-SD 4.28Å; M431-Q433 PolarHBondContact O-N 2.94Å; M431-F434 HydrophobicContact CE-CB 3.76Å; M431-F434 HydrophobicContact CE-CD1 3.82Å; M431-F434 HydrophobicContact CE-CD2 3.81Å; M431-F434 HydrophobicContact CE-CE1 4.47Å; M431-F434 HydrophobicContact CE-CE2 4.42Å; M431-F434 HydrophobicContact CE-CG 3.47Å; M431-F434 VanDerWaalsContact CE-CG 3.47Å; M431-F434 WeakPolarHBondContact O-CB 3.43Å; M431-F434 PolarHBondContact O-N 2.87Å; M431-F434 HydrophobicContact SD-CB 4.12Å; M431-F434 HydrophobicContact SD-CD2 4.04Å; M431-F434 HydrophobicContact SD-CG 4.11Å; M431-Y463 HydrophobicContact CB-CD1 3.93Å; M431-Y463 HydrophobicContact CB-CE1 3.69Å; M431-Y463 HydrophobicContact CB-CG 4.48Å; M431-Y463 HydrophobicContact CE-CD1 4.44Å; M431-Y463 HydrophobicContact CE-CD2 3.87Å; M431-Y463 HydrophobicContact CE-CE2 4.42Å; M431-Y463 HydrophobicContact CE-CG 3.89Å; M431-Y463 HydrophobicContact CG-CD1 4.32Å; M431-Y463 HydrophobicContact CG-CD2 4.33Å; M431-Y463 HydrophobicContact CG-CE1 3.99Å; M431-Y463 HydrophobicContact CG-CE2 3.99Å; M431-Y463 HydrophobicContact CG-CG 4.49Å; M431-L472 HydrophobicContact CE-CD2 4.14Å; M431-L472 HydrophobicContact CG-CD2 4.41Å; M431-L472 HydrophobicContact SD-CD2 3.94Å
432	K	92.6	Very high	89.4	Confident	90 Å²	90	40.3 Å²	40.3	39%	0.391	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-42.6	-176	-49	-162.4	168.3	153.2	0	114	D410 K429 E460	D410-K432 IonicContact OD2-NZ 2.74Å; D410-K432 PolarHBondContact OD2-NZ 2.83Å; K429-K432 HydrophobicContact CB-CB 4.31Å; K429-K432 PolarHBondContact O-N 2.86Å; K432-E460 WeakPolarHBondContact CE-OE1 3Å; K432-E460 WeakPolarHBondContact CG-OE2 3.02Å
433	Q	92.8	Very high	89.5	Confident	70 Å²	70	43.9 Å²	43.9	33%	0.327	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	27.7	-177.2	-60	177.5	-60.7	0	0	111.7	Y428 K429 M431 E435 E436 V437	Y428-Q433 HydrophobicContact CD1-CB 4.29Å; K429-Q433 HydrophobicContact CB-CG 4.48Å; K429-Q433 PolarHBondContact O-N 2.83Å; M431-Q433 PolarHBondContact O-N 2.94Å; Q433-E435 VanDerWaalsContact C-N 3.28Å; Q433-E435 PolarHBondContact O-N 3.31Å; Q433-E436 WeakPolarHBondContact CA-OE2 3.08Å; Q433-E436 PolarHBondContact O-N 3.11Å; Q433-V437 PolarHBondContact O-N 2.83Å
434	F	93.1	Very high	89.5	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-31.9	-178.6	177.4	-99.4	0	0	0	112.1	F304 F307 L308 L430 M431 E436 V437 F438 L458	F304-F434 AromaticContact CE2-CD2 3.92Å; F304-F434 HydrophobicContact CE2-CD2 3.92Å; F304-F434 AromaticContact CE2-CE2 3.62Å; F304-F434 HydrophobicContact CE2-CE2 3.62Å; F304-F434 HydrophobicContact CZ-CD2 4.31Å; F304-F434 AromaticContact CZ-CE2 3.87Å; F304-F434 HydrophobicContact CZ-CE2 3.87Å; F307-F434 HydrophobicContact CD1-CZ 4.2Å; F307-F434 HydrophobicContact CE1-CD1 4.05Å; F307-F434 AromaticContact CE1-CE1 3.5Å; F307-F434 HydrophobicContact CE1-CE1 3.5Å; F307-F434 HydrophobicContact CE1-CE2 4.24Å; F307-F434 AromaticContact CE1-CZ 3.6Å; F307-F434 HydrophobicContact CE1-CZ 3.6Å; F307-F434 HydrophobicContact CZ-CE1 4.18Å; L308-F434 HydrophobicContact CD2-CE2 3.83Å; L308-F434 HydrophobicContact CD2-CZ 3.68Å; L430-F434 HydrophobicContact CD2-CB 4.14Å; L430-F434 HydrophobicContact CD2-CD2 3.85Å; M431-F434 HydrophobicContact CE-CB 3.76Å; M431-F434 HydrophobicContact CE-CD1 3.82Å; M431-F434 HydrophobicContact CE-CD2 3.81Å; M431-F434 HydrophobicContact CE-CE1 4.47Å; M431-F434 HydrophobicContact CE-CE2 4.42Å; M431-F434 HydrophobicContact CE-CG 3.47Å; M431-F434 VanDerWaalsContact CE-CG 3.47Å; M431-F434 WeakPolarHBondContact O-CB 3.43Å; M431-F434 PolarHBondContact O-N 2.87Å; M431-F434 HydrophobicContact SD-CB 4.12Å; M431-F434 HydrophobicContact SD-CD2 4.04Å; M431-F434 HydrophobicContact SD-CG 4.11Å; F434-E436 VanDerWaalsContact C-N 3.32Å; F434-E436 PolarHBondContact O-N 3.09Å; F434-V437 HydrophobicContact CD2-CB 4.5Å; F434-V437 WeakPolarHBondContact O-CB 3.32Å; F434-V437 PolarHBondContact O-N 2.94Å; F434-F438 HydrophobicContact CE1-CB 4.19Å; F434-F438 HydrophobicContact CZ-CB 4.34Å; F434-F438 PolarHBondContact O-N 3.06Å; F434-L458 HydrophobicContact CD1-CB 4.09Å; F434-L458 HydrophobicContact CD1-CD2 4.37Å; F434-L458 HydrophobicContact CE1-CB 4.3Å; F434-L458 HydrophobicContact CE1-CD1 4.03Å; F434-L458 HydrophobicContact CE1-CD2 3.86Å; F434-L458 HydrophobicContact CE1-CG 4.28Å
435	E	90	Very high	89.3	Confident	24 Å²	24	43.5 Å²	43.5	11%	0.112	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-43.4	177.7	-171.3	-176.9	-140	0	0	111.3	Q433 F438 F439 K446 Q454 I455	Q433-E435 VanDerWaalsContact C-N 3.28Å; Q433-E435 PolarHBondContact O-N 3.31Å; E435-F438 PolarHBondContact O-N 2.94Å; E435-F439 HydrophobicContact CG-CD2 3.97Å; E435-F439 HydrophobicContact CG-CE2 3.64Å; E435-F439 WeakPolarHBondContact O-CD2 3.01Å; E435-F439 PolarHBondContact O-N 2.88Å; E435-K446 WeakPolarHBondContact OE2-CE 3.23Å; E435-K446 IonicContact OE2-NZ 2.61Å; E435-K446 PolarHBondContact OE2-NZ 2.77Å; E435-Q454 VanDerWaalsContact OE1-CA 3.24Å; E435-Q454 WeakPolarHBondContact OE1-CA 3.29Å; E435-I455 PolarHBondContact OE1-N 3.08Å
436	E	90.3	Very high	88.9	Confident	56 Å²	56	44.3 Å²	44.3	26%	0.262	21%	0.211	S	C	.	.	H	α-helix	trans	-63.8	-40.8	175	-65.8	74.7	-167.5	0	0	111.8	Y428 Q433 F434 F438 F439 R440 K446	Y428-E436 HydrophobicContact CD1-CB 3.93Å; Y428-E436 HydrophobicContact CE1-CB 3.65Å; Q433-E436 WeakPolarHBondContact CA-OE2 3.08Å; Q433-E436 PolarHBondContact O-N 3.11Å; F434-E436 VanDerWaalsContact C-N 3.32Å; F434-E436 PolarHBondContact O-N 3.09Å; E436-F438 VanDerWaalsContact C-N 3.29Å; E436-F438 PolarHBondContact O-N 2.99Å; E436-F439 PolarHBondContact O-N 2.74Å; E436-R440 WeakPolarHBondContact O-CG 3.05Å; E436-R440 PolarHBondContact O-N 3.29Å; E436-K446 HydrophobicContact CG-CD 4.27Å; E436-K446 IonicContact OE1-NZ 3.63Å; E436-K446 PolarHBondContact OE1-NZ 2.96Å
437	V	92.2	Very high	88.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-44.1	173.3	169.2	0	0	0	0	110.4	I405 Y428 L430 Q433 F434 R440 I441	I405-V437 HydrophobicContact CG2-CG1 4.15Å; I405-V437 HydrophobicContact CG2-CG2 4.22Å; Y428-V437 HydrophobicContact CD1-CG2 3.68Å; Y428-V437 HydrophobicContact CD2-CG2 4.02Å; Y428-V437 HydrophobicContact CG-CG2 3.37Å; L430-V437 HydrophobicContact CD2-CG2 4.03Å; Q433-V437 PolarHBondContact O-N 2.83Å; F434-V437 HydrophobicContact CD2-CB 4.5Å; F434-V437 WeakPolarHBondContact O-CB 3.32Å; F434-V437 PolarHBondContact O-N 2.94Å; V437-R440 WeakPolarHBondContact O-CB 3.44Å; V437-R440 PolarHBondContact O-N 3.14Å; V437-I441 HydrophobicContact CG1-CD1 3.97Å; V437-I441 WeakPolarHBondContact O-CG1 3.47Å; V437-I441 PolarHBondContact O-N 3.28Å
438	F	91.1	Very high	86.7	Confident	16 Å²	16	46.3 Å²	46.3	7%	0.07	22%	0.217	C	C	.	.	H	α-helix	trans	-68.2	-39.4	-179.4	-172.1	-127.9	0	0	0	112.4	C312 F434 E435 E436 R440 I441 L442 I455 L458	C312-F438 HydrophobicContact CB-CD2 3.97Å; C312-F438 HydrophobicContact CB-CE2 3.47Å; C312-F438 VanDerWaalsContact CB-CE2 3.47Å; C312-F438 HydrophobicContact CB-CZ 3.78Å; F434-F438 HydrophobicContact CE1-CB 4.19Å; F434-F438 HydrophobicContact CZ-CB 4.34Å; F434-F438 PolarHBondContact O-N 3.06Å; E435-F438 PolarHBondContact O-N 2.94Å; E436-F438 VanDerWaalsContact C-N 3.29Å; E436-F438 PolarHBondContact O-N 2.99Å; F438-R440 VanDerWaalsContact C-N 3.28Å; F438-R440 PolarHBondContact O-N 2.89Å; F438-I441 HydrophobicContact CD2-CB 4.36Å; F438-I441 HydrophobicContact CD2-CD1 4.48Å; F438-I441 WeakPolarHBondContact O-CB 3.45Å; F438-I441 PolarHBondContact O-N 2.97Å; F438-I441 VanDerWaalsContact O-N 3.13Å; F438-L442 HydrophobicContact CD1-CD1 4.07Å; F438-L442 HydrophobicContact CD2-CG 4.41Å; F438-L442 HydrophobicContact CE1-CD1 3.63Å; F438-L442 HydrophobicContact CE1-CG 4.26Å; F438-L442 HydrophobicContact CE2-CD1 4.27Å; F438-L442 HydrophobicContact CE2-CD2 4.06Å; F438-L442 HydrophobicContact CE2-CG 4Å; F438-L442 HydrophobicContact CZ-CD1 3.74Å; F438-L442 HydrophobicContact CZ-CD2 3.97Å; F438-L442 HydrophobicContact CZ-CG 3.94Å; F438-L442 WeakPolarHBondContact O-CG 3.35Å; F438-L442 PolarHBondContact O-N 3.23Å; F438-I455 HydrophobicContact CD1-CD1 3.4Å; F438-I455 VanDerWaalsContact CD1-CD1 3.4Å; F438-I455 HydrophobicContact CD1-CG2 4.49Å; F438-I455 HydrophobicContact CE1-CD1 3.67Å; F438-I455 HydrophobicContact CE1-CG2 4.37Å; F438-L458 HydrophobicContact CB-CD1 4.22Å; F438-L458 HydrophobicContact CD1-CD1 3.29Å; F438-L458 HydrophobicContact CE1-CD1 3.85Å; F438-L458 HydrophobicContact CG-CD1 3.94Å
439	F	89.3	Confident	84.5	Confident	9 Å²	9	52 Å²	52	4%	0.039	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-38.6	171.1	-81.9	-60.7	0	0	0	112.7	E435 E436 L442 N443 T444 K446 K453 I455	E435-F439 HydrophobicContact CG-CD2 3.97Å; E435-F439 HydrophobicContact CG-CE2 3.64Å; E435-F439 WeakPolarHBondContact O-CD2 3.01Å; E435-F439 PolarHBondContact O-N 2.88Å; E436-F439 PolarHBondContact O-N 2.74Å; F439-L442 CarbonylContact O-C 3.35Å; F439-L442 PolarHBondContact O-N 3.07Å; F439-N443 PolarHBondContact O-N 3.32Å; F439-N443 VanDerWaalsContact O-N 3.11Å; F439-T444 WeakPolarHBondContact CB-O 3.29Å; F439-T444 HydrophobicContact CD1-CG2 4.4Å; F439-T444 PolarHBondContact O-N 2.97Å; F439-K446 HydrophobicContact CD2-CB 3.75Å; F439-K446 HydrophobicContact CD2-CD 3.98Å; F439-K446 HydrophobicContact CD2-CG 3.94Å; F439-K446 HydrophobicContact CE2-CB 4.02Å; F439-K446 HydrophobicContact CE2-CD 4.01Å; F439-K446 HydrophobicContact CE2-CG 3.8Å; F439-K446 HydrophobicContact CG-CB 4.13Å; F439-K453 HydrophobicContact CE1-CB 3.75Å; F439-K453 HydrophobicContact CE1-CD 4.35Å; F439-K453 WeakPolarHBondContact CE2-O 3.49Å; F439-K453 HydrophobicContact CZ-CB 3.55Å; F439-K453 VanDerWaalsContact CZ-O 3.28Å; F439-K453 WeakPolarHBondContact CZ-O 3.14Å; F439-I455 HydrophobicContact CD1-CD1 4.2Å; F439-I455 HydrophobicContact CE1-CD1 3.67Å; F439-I455 HydrophobicContact CE1-CG1 4.12Å; F439-I455 HydrophobicContact CE2-CD1 4.12Å; F439-I455 HydrophobicContact CE2-CG1 4.29Å; F439-I455 HydrophobicContact CZ-CD1 3.63Å; F439-I455 HydrophobicContact CZ-CG1 3.68Å
440	R	89.9	Confident	82.4	Confident	45 Å²	45	53 Å²	53	17%	0.17	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-41.4	172.6	-74.3	-160.1	64.6	-165.3	2.6	112.9	K348 F401 E402 Y404 I405 Y428 E436 V437 F438 L442 N443	K348-R440 VanDerWaalsContact CE-O 3.25Å; K348-R440 WeakPolarHBondContact CE-O 3.25Å; F401-R440 PolarHBondContact O-NH2 2.78Å; E402-R440 PolarHBondContact O-NH2 2.85Å; Y404-R440 VanDerWaalsContact O-CZ 3.28Å; Y404-R440 PolarHBondContact O-NH1 2.87Å; Y404-R440 PolarHBondContact O-NH2 3.27Å; I405-R440 HydrophobicContact CD1-CB 3.7Å; I405-R440 HydrophobicContact CG1-CB 4.15Å; Y428-R440 WeakPolarHBondContact OH-CD 3.39Å; E436-R440 WeakPolarHBondContact O-CG 3.05Å; E436-R440 PolarHBondContact O-N 3.29Å; V437-R440 WeakPolarHBondContact O-CB 3.44Å; V437-R440 PolarHBondContact O-N 3.14Å; F438-R440 VanDerWaalsContact C-N 3.28Å; F438-R440 PolarHBondContact O-N 2.89Å; R440-L442 VanDerWaalsContact C-N 3.26Å; R440-L442 PolarHBondContact O-N 3.3Å; R440-N443 PolarHBondContact O-N 3.02Å; R440-N443 VanDerWaalsContact O-N 3.1Å
441	I	90.7	Very high	80.9	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-41.1	174.2	-68.2	167	0	0	0	110.5	K284 V286 L308 T314 I405 V437 F438 N443	K284-I441 HydrophobicContact CB-CG2 4.15Å; V286-I441 HydrophobicContact CG2-CB 4.16Å; V286-I441 HydrophobicContact CG2-CD1 3.92Å; V286-I441 HydrophobicContact CG2-CG1 3.7Å; V286-I441 HydrophobicContact CG2-CG2 3.44Å; V286-I441 VanDerWaalsContact CG2-CG2 3.44Å; L308-I441 HydrophobicContact CD2-CD1 4.18Å; T314-I441 HydrophobicContact CG2-CG2 4.1Å; I405-I441 HydrophobicContact CD1-CG1 3.69Å; V437-I441 HydrophobicContact CG1-CD1 3.97Å; V437-I441 WeakPolarHBondContact O-CG1 3.47Å; V437-I441 PolarHBondContact O-N 3.28Å; F438-I441 HydrophobicContact CD2-CB 4.36Å; F438-I441 HydrophobicContact CD2-CD1 4.48Å; F438-I441 WeakPolarHBondContact O-CB 3.45Å; F438-I441 PolarHBondContact O-N 2.97Å; F438-I441 VanDerWaalsContact O-N 3.13Å; I441-N443 PolarHBondContact O-N 2.83Å
442	L	86.8	Confident	79.8	Confident	44 Å²	44	64.9 Å²	64.9	23%	0.23	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.3	178	-65.1	-179.4	0	0	0	114.5	K284 F438 F439 R440 T444 I455	K284-L442 HydrophobicContact CG-CD2 4Å; F438-L442 HydrophobicContact CD1-CD1 4.07Å; F438-L442 HydrophobicContact CD2-CG 4.41Å; F438-L442 HydrophobicContact CE1-CD1 3.63Å; F438-L442 HydrophobicContact CE1-CG 4.26Å; F438-L442 HydrophobicContact CE2-CD1 4.27Å; F438-L442 HydrophobicContact CE2-CD2 4.06Å; F438-L442 HydrophobicContact CE2-CG 4Å; F438-L442 HydrophobicContact CZ-CD1 3.74Å; F438-L442 HydrophobicContact CZ-CD2 3.97Å; F438-L442 HydrophobicContact CZ-CG 3.94Å; F438-L442 WeakPolarHBondContact O-CG 3.35Å; F438-L442 PolarHBondContact O-N 3.23Å; F439-L442 CarbonylContact O-C 3.35Å; F439-L442 PolarHBondContact O-N 3.07Å; R440-L442 VanDerWaalsContact C-N 3.26Å; R440-L442 PolarHBondContact O-N 3.3Å; L442-T444 PolarHBondContact O-N 3.24Å; L442-T444 PolarHBondContact O-OG1 2.83Å; L442-I455 HydrophobicContact CD1-CD1 4.28Å
443	N	84.8	Confident	78.7	Confident	74 Å²	74	63.4 Å²	63.4	40%	0.396	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	40.2	-171.2	-145	61.9	0	0	0	113.1	K348 E402 F439 R440 I441	K348-N443 WeakPolarHBondContact CE-OD1 3.21Å; K348-N443 PolarHBondContact NZ-OD1 3.01Å; E402-N443 PolarHBondContact OE1-OD1 3.29Å; F439-N443 PolarHBondContact O-N 3.32Å; F439-N443 VanDerWaalsContact O-N 3.11Å; R440-N443 PolarHBondContact O-N 3.02Å; R440-N443 VanDerWaalsContact O-N 3.1Å; I441-N443 PolarHBondContact O-N 2.83Å
444	T	80.9	Confident	77.5	Confident	53 Å²	53	67.7 Å²	67.7	33%	0.325	35%	0.354	S	S	.	.			trans	-124.1	136.2	-175.7	-57.4	0	0	0	0	109.8	F439 L442 K453	F439-T444 WeakPolarHBondContact CB-O 3.29Å; F439-T444 HydrophobicContact CD1-CG2 4.4Å; F439-T444 PolarHBondContact O-N 2.97Å; L442-T444 PolarHBondContact O-N 3.24Å; L442-T444 PolarHBondContact O-OG1 2.83Å; T444-K453 HydrophobicContact CG2-CD 4.1Å
445	E	74.6	Confident	76.6	Confident	150 Å²	150	70 Å²	70	70%	0.701	37%	0.366	S	S	*	.			trans	-74.1	132.8	174.7	-64.3	-175	167.9	0	0	111.1	H447	E445-H447 VanDerWaalsContact C-N 3.31Å
446	K	69.4	Low	75.6	Confident	35 Å²	35	74 Å²	74	15%	0.152	40%	0.397	C	S	.	.	S	Bend	trans	-67.8	-33.3	174.9	177.6	168.5	172.9	164.5	0	111.8	E435 E436 F439 V452 K453	E435-K446 WeakPolarHBondContact OE2-CE 3.23Å; E435-K446 IonicContact OE2-NZ 2.61Å; E435-K446 PolarHBondContact OE2-NZ 2.77Å; E436-K446 HydrophobicContact CG-CD 4.27Å; E436-K446 IonicContact OE1-NZ 3.63Å; E436-K446 PolarHBondContact OE1-NZ 2.96Å; F439-K446 HydrophobicContact CD2-CB 3.75Å; F439-K446 HydrophobicContact CD2-CD 3.98Å; F439-K446 HydrophobicContact CD2-CG 3.94Å; F439-K446 HydrophobicContact CE2-CB 4.02Å; F439-K446 HydrophobicContact CE2-CD 4.01Å; F439-K446 HydrophobicContact CE2-CG 3.8Å; F439-K446 HydrophobicContact CG-CB 4.13Å; K446-V452 HydrophobicContact CG-CG1 4.19Å; K446-K453 PolarHBondContact O-N 2.82Å
447	H	68.6	Low	74.9	Confident	123 Å²	123	71.9 Å²	71.9	57%	0.569	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	109	-176.9	-60.7	-77.9	0	0	0	109.8	E445	E445-H447 VanDerWaalsContact C-N 3.31Å
448	E	63.5	Low	74.4	Confident	83 Å²	83	72.1 Å²	72.1	39%	0.388	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	156.5	166.2	-71.1	178.4	162.5	0	0	109	G450 R451 K453	E448-G450 PolarHBondContact O-N 2.82Å; E448-R451 PolarHBondContact N-O 2.96Å; E448-R451 PolarHBondContact O-N 2.88Å; E448-R451 VanDerWaalsContact O-O 3.06Å; E448-K453 VanDerWaalsContact CD-NZ 3.27Å; E448-K453 WeakPolarHBondContact OE1-CE 3.27Å; E448-K453 IonicContact OE1-NZ 3.84Å; E448-K453 PolarHBondContact OE1-NZ 2.9Å; E448-K453 WeakPolarHBondContact OE2-CE 3.36Å; E448-K453 IonicContact OE2-NZ 3.45Å
449	P	48.3	Very low	74	Confident	143 Å²	143	73.5 Å²	73.5	93%	0.929	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	108.6	177.5	-25.1	33.6	0	0	0	111.7
450	G	51.1	Low	73.8	Confident	91 Å²	91	76.9 Å²	76.9	94%	0.938	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	2.6	179.3	0	0	0	0	0	116.8	E448	E448-G450 PolarHBondContact O-N 2.82Å
451	R	65.4	Low	73.6	Confident	176 Å²	176	80.7 Å²	80.7	66%	0.664	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.9	126.7	179.6	-168.5	177.4	-176.9	-179.9	0.7	112.1	E448	E448-R451 PolarHBondContact N-O 2.96Å; E448-R451 PolarHBondContact O-N 2.88Å; E448-R451 VanDerWaalsContact O-O 3.06Å
452	V	70.3	Confident	73.5	Confident	78 Å²	78	85.6 Å²	85.6	47%	0.473	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.1	168.2	-175.5	0	0	0	0	108.1	K446	K446-V452 HydrophobicContact CG-CG1 4.19Å
453	K	69.1	Low	73.6	Confident	60 Å²	60	84.1 Å²	84.1	26%	0.261	46%	0.455	S	S	.	.			trans	-74.9	129.4	171.5	-68.3	178.6	-177.8	163	0	108.1	F439 T444 K446 E448	F439-K453 HydrophobicContact CE1-CB 3.75Å; F439-K453 HydrophobicContact CE1-CD 4.35Å; F439-K453 WeakPolarHBondContact CE2-O 3.49Å; F439-K453 HydrophobicContact CZ-CB 3.55Å; F439-K453 VanDerWaalsContact CZ-O 3.28Å; F439-K453 WeakPolarHBondContact CZ-O 3.14Å; T444-K453 HydrophobicContact CG2-CD 4.1Å; K446-K453 PolarHBondContact O-N 2.82Å; E448-K453 VanDerWaalsContact CD-NZ 3.27Å; E448-K453 WeakPolarHBondContact OE1-CE 3.27Å; E448-K453 IonicContact OE1-NZ 3.84Å; E448-K453 PolarHBondContact OE1-NZ 2.9Å; E448-K453 WeakPolarHBondContact OE2-CE 3.36Å; E448-K453 IonicContact OE2-NZ 3.45Å
454	Q	69.3	Low	73.9	Confident	160 Å²	160	83.5 Å²	83.5	75%	0.748	45%	0.45	S	S	*	.			trans	-122.3	142.6	171.7	-81	-175.6	-15.4	0	0	109.5	E435	E435-Q454 VanDerWaalsContact OE1-CA 3.24Å; E435-Q454 WeakPolarHBondContact OE1-CA 3.29Å
455	I	72.6	Confident	74.4	Confident	48 Å²	48	87.6 Å²	87.6	25%	0.246	47%	0.465	C	S	.	.			trans	-111.8	111.4	178.2	-57.9	171.8	0	0	0	108	E435 F438 F439 L442 G457 L458	E435-I455 PolarHBondContact OE1-N 3.08Å; F438-I455 HydrophobicContact CD1-CD1 3.4Å; F438-I455 VanDerWaalsContact CD1-CD1 3.4Å; F438-I455 HydrophobicContact CD1-CG2 4.49Å; F438-I455 HydrophobicContact CE1-CD1 3.67Å; F438-I455 HydrophobicContact CE1-CG2 4.37Å; F439-I455 HydrophobicContact CD1-CD1 4.2Å; F439-I455 HydrophobicContact CE1-CD1 3.67Å; F439-I455 HydrophobicContact CE1-CG1 4.12Å; F439-I455 HydrophobicContact CE2-CD1 4.12Å; F439-I455 HydrophobicContact CE2-CG1 4.29Å; F439-I455 HydrophobicContact CZ-CD1 3.63Å; F439-I455 HydrophobicContact CZ-CG1 3.68Å; L442-I455 HydrophobicContact CD1-CD1 4.28Å; I455-G457 PolarHBondContact O-N 2.87Å; I455-L458 HydrophobicContact CB-CD1 3.92Å; I455-L458 HydrophobicContact CB-CG 4.44Å; I455-L458 HydrophobicContact CG2-CD1 3.42Å; I455-L458 VanDerWaalsContact CG2-CD1 3.42Å; I455-L458 HydrophobicContact CG2-CG 3.89Å
456	S	70.1	Confident	75.1	Confident	109 Å²	109	81.4 Å²	81.4	76%	0.762	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	128.9	-175.4	57.1	0	0	0	0	112.1
457	G	74.9	Confident	76.2	Confident	12 Å²	12	85.5 Å²	85.5	12%	0.124	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	19.2	173.3	0	0	0	0	0	115.1	I455 Y463	I455-G457 PolarHBondContact O-N 2.87Å; G457-Y463 WeakPolarHBondContact O-CA 3.43Å
458	L	82.3	Confident	77.3	Confident	4 Å²	4	80.8 Å²	80.8	2%	0.021	45%	0.449	C	S	.	.			trans	-113.7	-2.1	174.3	-64.2	-171.3	0	0	0	114.1	F307 K311 F434 F438 I455	F307-L458 HydrophobicContact CE1-CD2 4.38Å; F307-L458 HydrophobicContact CZ-CD2 3.79Å; K311-L458 HydrophobicContact CG-CD2 3.78Å; F434-L458 HydrophobicContact CD1-CB 4.09Å; F434-L458 HydrophobicContact CD1-CD2 4.37Å; F434-L458 HydrophobicContact CE1-CB 4.3Å; F434-L458 HydrophobicContact CE1-CD1 4.03Å; F434-L458 HydrophobicContact CE1-CD2 3.86Å; F434-L458 HydrophobicContact CE1-CG 4.28Å; F438-L458 HydrophobicContact CB-CD1 4.22Å; F438-L458 HydrophobicContact CD1-CD1 3.29Å; F438-L458 HydrophobicContact CE1-CD1 3.85Å; F438-L458 HydrophobicContact CG-CD1 3.94Å; I455-L458 HydrophobicContact CB-CD1 3.92Å; I455-L458 HydrophobicContact CB-CG 4.44Å; I455-L458 HydrophobicContact CG2-CD1 3.42Å; I455-L458 VanDerWaalsContact CG2-CD1 3.42Å; I455-L458 HydrophobicContact CG2-CG 3.89Å
459	S	82.6	Confident	78.8	Confident	45 Å²	45	76.8 Å²	76.8	32%	0.315	43%	0.431	S	S	.	.	S	Bend	trans	-71.7	158.7	175.7	58.8	0	0	0	0	111.8	D461 K462 Y463	S459-D461 PolarHBondContact O-N 2.84Å; S459-K462 PolarHBondContact O-N 2.97Å; S459-K462 WeakPolarHBondContact OG-CB 3.49Å; S459-K462 WeakPolarHBondContact OG-CG 3.15Å; S459-Y463 PolarHBondContact O-N 2.84Å
460	E	85.6	Confident	81	Confident	81 Å²	81	70.5 Å²	70.5	38%	0.379	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-45.7	176.1	-172.6	173.3	-172.8	0	0	112.7	K432 K462 Y463	K432-E460 WeakPolarHBondContact CE-OE1 3Å; K432-E460 WeakPolarHBondContact CG-OE2 3.02Å; E460-K462 VanDerWaalsContact C-N 3.28Å; E460-K462 PolarHBondContact O-N 3.12Å; E460-Y463 WeakPolarHBondContact O-CD1 3.24Å; E460-Y463 WeakPolarHBondContact O-CE1 3.34Å
461	D	85.4	Confident	83.1	Confident	124 Å²	124	67.7 Å²	67.7	66%	0.663	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.8	-177.5	-54.4	-47.5	0	0	0	114.5	S459 H464	S459-D461 PolarHBondContact O-N 2.84Å; D461-H464 VanDerWaalsContact C-CE1 3.45Å; D461-H464 PolarHBondContact O-CE1 2.68Å
462	K	88.1	Confident	84.7	Confident	104 Å²	104	59.3 Å²	59.3	45%	0.452	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-17.2	-169.2	-59.1	-174.1	179.8	-179.4	0	114.7	S459 E460 H464 E465	S459-K462 PolarHBondContact O-N 2.97Å; S459-K462 WeakPolarHBondContact OG-CB 3.49Å; S459-K462 WeakPolarHBondContact OG-CG 3.15Å; E460-K462 VanDerWaalsContact C-N 3.28Å; E460-K462 PolarHBondContact O-N 3.12Å; K462-H464 PolarHBondContact O-N 3Å; K462-H464 VanDerWaalsContact O-N 3.12Å; K462-E465 WeakPolarHBondContact O-CB 3.49Å; K462-E465 WeakPolarHBondContact O-CG 3.07Å; K462-E465 PolarHBondContact O-N 3.45Å
463	Y	89.4	Confident	86	Confident	13 Å²	13	59.1 Å²	59.1	5%	0.051	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-59.2	-30.3	-178.2	79.9	-87.9	0	0	0	111.6	M431 G457 S459 E460 E465 C466 G469 L472 R473	M431-Y463 HydrophobicContact CB-CD1 3.93Å; M431-Y463 HydrophobicContact CB-CE1 3.69Å; M431-Y463 HydrophobicContact CB-CG 4.48Å; M431-Y463 HydrophobicContact CE-CD1 4.44Å; M431-Y463 HydrophobicContact CE-CD2 3.87Å; M431-Y463 HydrophobicContact CE-CE2 4.42Å; M431-Y463 HydrophobicContact CE-CG 3.89Å; M431-Y463 HydrophobicContact CG-CD1 4.32Å; M431-Y463 HydrophobicContact CG-CD2 4.33Å; M431-Y463 HydrophobicContact CG-CE1 3.99Å; M431-Y463 HydrophobicContact CG-CE2 3.99Å; M431-Y463 HydrophobicContact CG-CG 4.49Å; G457-Y463 WeakPolarHBondContact O-CA 3.43Å; S459-Y463 PolarHBondContact O-N 2.84Å; E460-Y463 WeakPolarHBondContact O-CD1 3.24Å; E460-Y463 WeakPolarHBondContact O-CE1 3.34Å; Y463-E465 VanDerWaalsContact C-N 3.29Å; Y463-E465 PolarHBondContact O-N 3.19Å; Y463-C466 PolarHBondContact O-SG 2.87Å; Y463-C466 VanDerWaalsContact O-SG 3.33Å; Y463-G469 WeakPolarHBondContact CE2-O 3.28Å; Y463-G469 WeakPolarHBondContact O-CA 2.8Å; Y463-L472 HydrophobicContact CD2-CD2 4.43Å; Y463-L472 HydrophobicContact CE2-CD2 4.19Å; Y463-L472 HydrophobicContact CE2-CG 4.33Å; Y463-R473 HydrophobicContact CE2-CB 4.04Å; Y463-R473 WeakPolarHBondContact OH-CB 3.37Å
464	H	90.8	Very high	87.3	Confident	62 Å²	62	60.1 Å²	60.1	29%	0.287	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-77.5	-7.4	-179.4	65	-100.5	0	0	0	114.7	D461 K462 C466 R473	D461-H464 VanDerWaalsContact C-CE1 3.45Å; D461-H464 PolarHBondContact O-CE1 2.68Å; K462-H464 PolarHBondContact O-N 3Å; K462-H464 VanDerWaalsContact O-N 3.12Å; H464-C466 VanDerWaalsContact C-N 3.25Å; H464-C466 PolarHBondContact O-N 2.99Å; H464-R473 HydrophobicContact CB-CB 4.2Å; H464-R473 PolarHBondContact CD2-NH1 3.29Å; H464-R473 VanDerWaalsContact CG-NH1 3.29Å
465	E	91.1	Very high	88.7	Confident	138 Å²	138	52.8 Å²	52.8	65%	0.645	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-68.5	-24.9	177.5	-66.4	175.3	177.3	0	0	112.2	K462 Y463	K462-E465 WeakPolarHBondContact O-CB 3.49Å; K462-E465 WeakPolarHBondContact O-CG 3.07Å; K462-E465 PolarHBondContact O-N 3.45Å; Y463-E465 VanDerWaalsContact C-N 3.29Å; Y463-E465 PolarHBondContact O-N 3.19Å
466	C	89.6	Confident	89.9	Confident	21 Å²	21	50.7 Å²	50.7	14%	0.142	28%	0.283	C	S	.	.	S	Bend	trans	-90.1	152.1	173.4	71.8	0	0	0	0	111.7	K311 Y463 H464 S468 G469 G470	K311-C466 HydrophobicContact CD-CB 4.31Å; Y463-C466 PolarHBondContact O-SG 2.87Å; Y463-C466 VanDerWaalsContact O-SG 3.33Å; H464-C466 VanDerWaalsContact C-N 3.25Å; H464-C466 PolarHBondContact O-N 2.99Å; C466-S468 VanDerWaalsContact C-N 3.31Å; C466-S468 PolarHBondContact O-N 2.71Å; C466-G469 PolarHBondContact O-N 2.77Å; C466-G469 PolarHBondContact SG-N 3.49Å; C466-G469 VanDerWaalsContact SG-N 3.38Å; C466-G470 PolarHBondContact O-N 2.99Å
467	P	92.4	Very high	91.2	Very high	121 Å²	121	50.4 Å²	50.4	79%	0.786	27%	0.27	S	S	*	.	H	α-helix	trans	-56.6	-40.3	-176.5	-27.2	34.6	0	0	0	114.3	A471	P467-A471 WeakPolarHBondContact O-CB 3.22Å; P467-A471 PolarHBondContact O-N 3.44Å
468	S	92.6	Very high	92.3	Very high	23 Å²	23	52.1 Å²	52.1	16%	0.161	28%	0.283	C	S	.	.	H	α-helix	trans	-69.2	-34.8	178.6	53.1	0	0	0	0	112.7	C466 L472	C466-S468 VanDerWaalsContact C-N 3.31Å; C466-S468 PolarHBondContact O-N 2.71Å; S468-L472 PolarHBondContact O-N 2.95Å; S468-L472 VanDerWaalsContact O-N 3.14Å
469	G	93.5	Very high	93.1	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-77.6	-35.7	177.4	0	0	0	0	0	112.9	Y463 C466 L472 R473	Y463-G469 WeakPolarHBondContact CE2-O 3.28Å; Y463-G469 WeakPolarHBondContact O-CA 2.8Å; C466-G469 PolarHBondContact O-N 2.77Å; C466-G469 PolarHBondContact SG-N 3.49Å; C466-G469 VanDerWaalsContact SG-N 3.38Å; G469-L472 WeakPolarHBondContact O-CB 3.46Å; G469-L472 PolarHBondContact O-N 2.85Å; G469-R473 PolarHBondContact O-N 2.9Å
470	G	95.4	Very high	93.8	Very high	10 Å²	10	55.5 Å²	55.5	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-58.7	-48.8	169.9	0	0	0	0	0	110.9	C466 L472 R473 D474	C466-G470 PolarHBondContact O-N 2.99Å; G470-L472 VanDerWaalsContact C-N 3.26Å; G470-L472 PolarHBondContact O-N 3.16Å; G470-R473 PolarHBondContact O-N 2.92Å; G470-R473 VanDerWaalsContact O-N 3.13Å; G470-D474 PolarHBondContact O-N 2.58Å
471	A	95.9	Very high	94.4	Very high	32 Å²	32	57.7 Å²	57.7	26%	0.264	30%	0.296	S	S	.	.	H	α-helix	trans	-61.2	-32.1	176	0	0	0	0	0	113.6	K303 P467 A475	K303-A471 HydrophobicContact CD-CB 4.1Å; P467-A471 WeakPolarHBondContact O-CB 3.22Å; P467-A471 PolarHBondContact O-N 3.44Å; A471-A475 WeakPolarHBondContact O-CB 3.46Å; A471-A475 PolarHBondContact O-N 2.95Å
472	L	97.4	Very high	94.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.9	-47.2	172.8	172	61.2	0	0	0	111.5	I300 K303 F304 F307 F409 M431 Y463 S468 G469 G470 D474 A475 I476	I300-L472 HydrophobicContact CG2-CD1 4.12Å; K303-L472 HydrophobicContact CB-CB 4.16Å; K303-L472 HydrophobicContact CB-CD1 4.14Å; F304-L472 HydrophobicContact CB-CD1 3.86Å; F304-L472 HydrophobicContact CB-CD2 4.4Å; F304-L472 HydrophobicContact CD2-CD2 3.85Å; F307-L472 HydrophobicContact CB-CD2 4.32Å; F307-L472 HydrophobicContact CD1-CD2 4.3Å; F307-L472 HydrophobicContact CG-CD2 4.31Å; F409-L472 HydrophobicContact CE1-CD1 4.36Å; M431-L472 HydrophobicContact CE-CD2 4.14Å; M431-L472 HydrophobicContact CG-CD2 4.41Å; M431-L472 HydrophobicContact SD-CD2 3.94Å; Y463-L472 HydrophobicContact CD2-CD2 4.43Å; Y463-L472 HydrophobicContact CE2-CD2 4.19Å; Y463-L472 HydrophobicContact CE2-CG 4.33Å; S468-L472 PolarHBondContact O-N 2.95Å; S468-L472 VanDerWaalsContact O-N 3.14Å; G469-L472 WeakPolarHBondContact O-CB 3.46Å; G469-L472 PolarHBondContact O-N 2.85Å; G470-L472 VanDerWaalsContact C-N 3.26Å; G470-L472 PolarHBondContact O-N 3.16Å; L472-D474 VanDerWaalsContact C-N 3.34Å; L472-D474 PolarHBondContact O-N 3.18Å; L472-A475 PolarHBondContact O-N 2.65Å; L472-I476 HydrophobicContact CD1-CD1 3.89Å; L472-I476 HydrophobicContact CD1-CG1 4.19Å; L472-I476 HydrophobicContact CG-CD1 3.95Å; L472-I476 WeakPolarHBondContact O-CG1 3.26Å; L472-I476 PolarHBondContact O-N 2.72Å
473	R	97.2	Very high	95.4	Very high	74 Å²	74	50.9 Å²	50.9	28%	0.279	26%	0.261	S	S	.	.	H	α-helix	trans	-57.5	-48.3	176.7	-173.8	-164.9	63.6	-145.6	-11.5	110.7	Y463 H464 G469 G470 A475 I476 E477	Y463-R473 HydrophobicContact CE2-CB 4.04Å; Y463-R473 WeakPolarHBondContact OH-CB 3.37Å; H464-R473 HydrophobicContact CB-CB 4.2Å; H464-R473 PolarHBondContact CD2-NH1 3.29Å; H464-R473 VanDerWaalsContact CG-NH1 3.29Å; G469-R473 PolarHBondContact O-N 2.9Å; G470-R473 PolarHBondContact O-N 2.92Å; G470-R473 VanDerWaalsContact O-N 3.13Å; R473-A475 VanDerWaalsContact C-N 3.27Å; R473-A475 PolarHBondContact O-N 2.87Å; R473-I476 PolarHBondContact O-N 3.44Å; R473-I476 VanDerWaalsContact O-N 3.1Å; R473-E477 WeakPolarHBondContact CD-OE1 3.42Å; R473-E477 HydrophobicContact CG-CG 4.41Å; R473-E477 WeakPolarHBondContact CG-OE1 3.18Å; R473-E477 IonicContact NE-OE1 2.7Å; R473-E477 WeakPolarHBondContact O-CG 3.32Å; R473-E477 PolarHBondContact O-N 2.87Å
474	D	97.7	Very high	95.7	Very high	82 Å²	82	56.7 Å²	56.7	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-61.8	-36	-179.6	-58.6	-12.5	0	0	0	111.5	G470 L472 A478	G470-D474 PolarHBondContact O-N 2.58Å; L472-D474 VanDerWaalsContact C-N 3.34Å; L472-D474 PolarHBondContact O-N 3.18Å; D474-A478 VanDerWaalsContact O-CB 3.24Å; D474-A478 WeakPolarHBondContact O-CB 3.31Å; D474-A478 PolarHBondContact O-N 2.83Å
475	A	98.1	Very high	96	Very high	6 Å²	6	59.3 Å²	59.3	5%	0.05	30%	0.304	C	S	.	.	H	α-helix	trans	-68.2	-39.3	174.7	0	0	0	0	0	112.9	I300 K303 A471 L472 R473 F479	I300-A475 HydrophobicContact CG1-CB 4.04Å; K303-A475 HydrophobicContact CB-CB 4.48Å; K303-A475 HydrophobicContact CG-CB 4.03Å; A471-A475 WeakPolarHBondContact O-CB 3.46Å; A471-A475 PolarHBondContact O-N 2.95Å; L472-A475 PolarHBondContact O-N 2.65Å; R473-A475 VanDerWaalsContact C-N 3.27Å; R473-A475 PolarHBondContact O-N 2.87Å; A475-F479 PolarHBondContact O-N 3.23Å; A475-F479 VanDerWaalsContact O-N 3.17Å
476	I	97.8	Very high	96.2	Very high	4 Å²	4	56 Å²	56	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-65	-48.2	175.7	-67.6	166.3	0	0	0	110	I300 F409 D411 V412 L472 R473 A478 F479 R480	I300-I476 HydrophobicContact CD1-CG1 4.16Å; I300-I476 HydrophobicContact CG1-CG1 4.15Å; I300-I476 HydrophobicContact CG2-CG1 3.91Å; F409-I476 HydrophobicContact CD1-CD1 3.7Å; F409-I476 HydrophobicContact CD1-CG1 4.31Å; F409-I476 HydrophobicContact CE1-CD1 3.9Å; D411-I476 HydrophobicContact CB-CG2 3.73Å; V412-I476 HydrophobicContact CG1-CG2 4.21Å; L472-I476 HydrophobicContact CD1-CD1 3.89Å; L472-I476 HydrophobicContact CD1-CG1 4.19Å; L472-I476 HydrophobicContact CG-CD1 3.95Å; L472-I476 WeakPolarHBondContact O-CG1 3.26Å; L472-I476 PolarHBondContact O-N 2.72Å; R473-I476 PolarHBondContact O-N 3.44Å; R473-I476 VanDerWaalsContact O-N 3.1Å; I476-A478 PolarHBondContact O-N 2.9Å; I476-F479 PolarHBondContact O-N 3.18Å; I476-R480 WeakPolarHBondContact O-CB 3.43Å; I476-R480 PolarHBondContact O-N 2.95Å
477	E	97.7	Very high	96.4	Very high	103 Å²	103	59.2 Å²	59.2	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-42.3	178.2	-73.3	175.6	-171	0	0	112	R473 F479 R480 K481	R473-E477 WeakPolarHBondContact CD-OE1 3.42Å; R473-E477 HydrophobicContact CG-CG 4.41Å; R473-E477 WeakPolarHBondContact CG-OE1 3.18Å; R473-E477 IonicContact NE-OE1 2.7Å; R473-E477 WeakPolarHBondContact O-CG 3.32Å; R473-E477 PolarHBondContact O-N 2.87Å; E477-F479 VanDerWaalsContact C-N 3.34Å; E477-F479 PolarHBondContact O-N 3.43Å; E477-R480 PolarHBondContact O-N 3.43Å; E477-K481 WeakPolarHBondContact O-CB 3.2Å; E477-K481 PolarHBondContact O-N 3.25Å
478	A	98.1	Very high	96.5	Very high	48 Å²	48	61.1 Å²	61.1	40%	0.397	30%	0.302	S	S	.	.	H	α-helix	trans	-60.3	-43.1	176.8	0	0	0	0	0	112	D474 I476 Y482	D474-A478 VanDerWaalsContact O-CB 3.24Å; D474-A478 WeakPolarHBondContact O-CB 3.31Å; D474-A478 PolarHBondContact O-N 2.83Å; I476-A478 PolarHBondContact O-N 2.9Å; A478-Y482 PolarHBondContact O-N 2.97Å; A478-Y482 VanDerWaalsContact O-N 3.14Å
479	F	98.1	Very high	96.7	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-71.6	-41.5	177.8	-171.7	-143.1	0	0	0	112.1	H294 L296 Y297 I300 V412 A475 I476 E477 K481 Y482 Q483 W489	H294-F479 HydrophobicContact CB-CE2 4.08Å; H294-F479 HydrophobicContact CB-CZ 4.23Å; H294-F479 AromaticContact ND1-CD2 3.93Å; H294-F479 AromaticContact ND1-CE2 3.54Å; L296-F479 HydrophobicContact CB-CB 3.92Å; L296-F479 HydrophobicContact CB-CD2 3.55Å; L296-F479 HydrophobicContact CB-CE2 4.33Å; L296-F479 HydrophobicContact CB-CG 3.93Å; L296-F479 HydrophobicContact CD1-CD2 4.04Å; L296-F479 HydrophobicContact CG-CD2 4.42Å; Y297-F479 HydrophobicContact CD2-CD1 4.1Å; Y297-F479 AromaticContact CD2-CE1 3.75Å; Y297-F479 HydrophobicContact CD2-CE1 3.75Å; Y297-F479 HydrophobicContact CG-CE1 4.16Å; I300-F479 HydrophobicContact CD1-CB 3.7Å; I300-F479 HydrophobicContact CD1-CD1 3.67Å; I300-F479 HydrophobicContact CD1-CG 4.11Å; V412-F479 HydrophobicContact CB-CD1 3.78Å; V412-F479 HydrophobicContact CB-CE1 4.19Å; V412-F479 HydrophobicContact CG1-CB 4.26Å; V412-F479 HydrophobicContact CG1-CD1 3.82Å; V412-F479 HydrophobicContact CG1-CG 4.38Å; V412-F479 HydrophobicContact CG2-CD1 4.16Å; A475-F479 PolarHBondContact O-N 3.23Å; A475-F479 VanDerWaalsContact O-N 3.17Å; I476-F479 PolarHBondContact O-N 3.18Å; E477-F479 VanDerWaalsContact C-N 3.34Å; E477-F479 PolarHBondContact O-N 3.43Å; F479-K481 VanDerWaalsContact C-N 3.31Å; F479-K481 PolarHBondContact O-N 2.82Å; F479-Y482 HydrophobicContact CD2-CD1 4.26Å; F479-Y482 HydrophobicContact CE2-CD1 4.25Å; F479-Y482 WeakPolarHBondContact O-CB 3.47Å; F479-Y482 PolarHBondContact O-N 3.26Å; F479-Y482 VanDerWaalsContact O-N 3.13Å; F479-Q483 HydrophobicContact CD2-CG 4.13Å; F479-Q483 HydrophobicContact CE1-CG 4.45Å; F479-Q483 HydrophobicContact CE2-CG 3.92Å; F479-Q483 HydrophobicContact CZ-CG 4.1Å; F479-Q483 WeakPolarHBondContact O-CG 3.28Å; F479-Q483 PolarHBondContact O-N 3.04Å; F479-W489 HydrophobicContact CE1-CH2 4.41Å; F479-W489 HydrophobicContact CE2-CD2 4.4Å; F479-W489 HydrophobicContact CE2-CE3 4.21Å; F479-W489 HydrophobicContact CE2-CZ3 4.27Å; F479-W489 HydrophobicContact CZ-CD2 4.33Å; F479-W489 HydrophobicContact CZ-CE3 4.08Å; F479-W489 AromaticContact CZ-CH2 3.61Å; F479-W489 HydrophobicContact CZ-CH2 3.61Å; F479-W489 AromaticContact CZ-CZ2 3.87Å; F479-W489 HydrophobicContact CZ-CZ2 3.87Å; F479-W489 AromaticContact CZ-CZ3 3.72Å; F479-W489 HydrophobicContact CZ-CZ3 3.72Å
480	R	97.6	Very high	96.8	Very high	118 Å²	118	61.2 Å²	61.2	45%	0.445	30%	0.299	S	S	.	.	H	α-helix	trans	-57.1	-46	175.5	-176.7	-177.7	-176.4	159.5	9.3	111.5	D411 V412 I476 E477 Y482 Q483 L484	D411-R480 IonicContact OD1-CZ 3.33Å; D411-R480 IonicContact OD1-NH1 2.93Å; D411-R480 PolarHBondContact OD1-NH1 3.14Å; V412-R480 HydrophobicContact CG1-CB 3.87Å; I476-R480 WeakPolarHBondContact O-CB 3.43Å; I476-R480 PolarHBondContact O-N 2.95Å; E477-R480 PolarHBondContact O-N 3.43Å; R480-Y482 VanDerWaalsContact C-N 3.32Å; R480-Y482 PolarHBondContact O-N 3.07Å; R480-Q483 PolarHBondContact O-N 2.89Å; R480-L484 WeakPolarHBondContact O-CG 3.41Å; R480-L484 PolarHBondContact O-N 2.83Å; R480-L484 VanDerWaalsContact O-N 3.07Å
481	K	97.9	Very high	96.7	Very high	128 Å²	128	64.8 Å²	64.8	56%	0.557	31%	0.313	S	S	*	.	H	α-helix	trans	-58.8	-45.9	175.8	-176.4	179.5	173.6	-177.6	0	111.2	E477 F479 Q483 L484 E485	E477-K481 WeakPolarHBondContact O-CB 3.2Å; E477-K481 PolarHBondContact O-N 3.25Å; F479-K481 VanDerWaalsContact C-N 3.31Å; F479-K481 PolarHBondContact O-N 2.82Å; K481-Q483 PolarHBondContact O-N 3.2Å; K481-L484 WeakPolarHBondContact O-CB 3.47Å; K481-L484 PolarHBondContact O-N 3.16Å; K481-E485 WeakPolarHBondContact CE-OE1 3.33Å; K481-E485 IonicContact NZ-OE1 3.64Å; K481-E485 WeakPolarHBondContact O-CG 3.22Å; K481-E485 PolarHBondContact O-N 3.19Å
482	Y	97.6	Very high	96.5	Very high	50 Å²	50	67.8 Å²	67.8	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-41.9	176.5	-178.9	-98	0	0	0	112.7	H294 L296 A478 F479 R480 L484 E485 H486 W489	H294-Y482 AromaticContact CE1-CD1 3.77Å; H294-Y482 AromaticContact CE1-CE1 3.44Å; H294-Y482 VanDerWaalsContact CE1-CE1 3.44Å; H294-Y482 WeakPolarHBondContact CE1-CE1 3.37Å; H294-Y482 AromaticContact CE1-CZ 3.89Å; H294-Y482 AromaticContact NE2-CE1 3.67Å; H294-Y482 AromaticContact NE2-CZ 3.87Å; L296-Y482 HydrophobicContact CD1-CD1 4.07Å; L296-Y482 HydrophobicContact CD1-CD2 4.19Å; L296-Y482 HydrophobicContact CD1-CG 3.67Å; A478-Y482 PolarHBondContact O-N 2.97Å; A478-Y482 VanDerWaalsContact O-N 3.14Å; F479-Y482 HydrophobicContact CD2-CD1 4.26Å; F479-Y482 HydrophobicContact CE2-CD1 4.25Å; F479-Y482 WeakPolarHBondContact O-CB 3.47Å; F479-Y482 PolarHBondContact O-N 3.26Å; F479-Y482 VanDerWaalsContact O-N 3.13Å; R480-Y482 VanDerWaalsContact C-N 3.32Å; R480-Y482 PolarHBondContact O-N 3.07Å; Y482-L484 VanDerWaalsContact C-N 3.3Å; Y482-L484 PolarHBondContact O-N 2.82Å; Y482-E485 PolarHBondContact O-N 3.22Å; Y482-H486 AromaticContact CD2-CD2 3.58Å; Y482-H486 HydrophobicContact CE1-CB 4.38Å; Y482-H486 AromaticContact CE2-CD2 3.31Å; Y482-H486 WeakPolarHBondContact CE2-CD2 3.45Å; Y482-H486 AromaticContact CE2-CG 3.99Å; Y482-H486 AromaticContact CE2-NE2 3.64Å; Y482-H486 AromaticContact CZ-CD2 3.8Å; Y482-H486 WeakPolarHBondContact O-CB 3.08Å; Y482-H486 PolarHBondContact O-N 3Å; Y482-W489 HydrophobicContact CD1-CB 4.45Å; Y482-W489 HydrophobicContact CE1-CB 3.82Å
483	Q	97.2	Very high	96.3	Very high	35 Å²	35	68.2 Å²	68.2	16%	0.164	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-32.9	176.7	-67.9	179.9	-40.8	0	0	112.9	V412 F479 R480 K481 H486 W489	V412-Q483 PolarHBondContact O-NE2 2.88Å; V412-Q483 PolarHBondContact O-OE1 2.97Å; F479-Q483 HydrophobicContact CD2-CG 4.13Å; F479-Q483 HydrophobicContact CE1-CG 4.45Å; F479-Q483 HydrophobicContact CE2-CG 3.92Å; F479-Q483 HydrophobicContact CZ-CG 4.1Å; F479-Q483 WeakPolarHBondContact O-CG 3.28Å; F479-Q483 PolarHBondContact O-N 3.04Å; R480-Q483 PolarHBondContact O-N 2.89Å; K481-Q483 PolarHBondContact O-N 3.2Å; Q483-H486 CarbonylContact O-C 3.6Å; Q483-W489 HydrophobicContact CG-CD2 4.43Å; Q483-W489 HydrophobicContact CG-CG 4.4Å; Q483-W489 VanDerWaalsContact NE2-CZ2 3.28Å
484	L	96.4	Very high	96.1	Very high	134 Å²	134	67.5 Å²	67.5	70%	0.702	33%	0.325	S	S	*	.	H	α-helix	trans	-70.5	-37.7	174.6	-68.8	170.6	0	0	0	111.9	R480 K481 Y482	R480-L484 WeakPolarHBondContact O-CG 3.41Å; R480-L484 PolarHBondContact O-N 2.83Å; R480-L484 VanDerWaalsContact O-N 3.07Å; K481-L484 WeakPolarHBondContact O-CB 3.47Å; K481-L484 PolarHBondContact O-N 3.16Å; Y482-L484 VanDerWaalsContact C-N 3.3Å; Y482-L484 PolarHBondContact O-N 2.82Å
485	E	97.2	Very high	95.6	Very high	117 Å²	117	67 Å²	67	55%	0.547	32%	0.322	S	S	.	.	H	α-helix	trans	-74.5	-29.8	176.8	-69.7	172.6	-179.8	0	0	112.1	K481 Y482	K481-E485 WeakPolarHBondContact CE-OE1 3.33Å; K481-E485 IonicContact NZ-OE1 3.64Å; K481-E485 WeakPolarHBondContact O-CG 3.22Å; K481-E485 PolarHBondContact O-N 3.19Å; Y482-E485 PolarHBondContact O-N 3.22Å
486	H	95.4	Very high	94.6	Very high	69 Å²	69	75.5 Å²	75.5	32%	0.319	36%	0.36	S	S	.	.			trans	-127.1	81.6	-176.9	-62.8	-89.6	0	0	0	112	Y482 Q483 Y488 W489	Y482-H486 AromaticContact CD2-CD2 3.58Å; Y482-H486 HydrophobicContact CE1-CB 4.38Å; Y482-H486 AromaticContact CE2-CD2 3.31Å; Y482-H486 WeakPolarHBondContact CE2-CD2 3.45Å; Y482-H486 AromaticContact CE2-CG 3.99Å; Y482-H486 AromaticContact CE2-NE2 3.64Å; Y482-H486 AromaticContact CZ-CD2 3.8Å; Y482-H486 WeakPolarHBondContact O-CB 3.08Å; Y482-H486 PolarHBondContact O-N 3Å; Q483-H486 CarbonylContact O-C 3.6Å; H486-Y488 PolarHBondContact O-N 3.23Å; H486-Y488 VanDerWaalsContact O-N 3.11Å; H486-W489 HydrophobicContact CB-CB 4.05Å; H486-W489 VanDerWaalsContact O-CB 3.29Å; H486-W489 WeakPolarHBondContact O-CB 3.37Å; H486-W489 VanDerWaalsContact O-CD1 3.23Å; H486-W489 PolarHBondContact O-N 3.23Å
487	P	93.9	Very high	92.5	Very high	88 Å²	88	85 Å²	85	57%	0.571	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25	-177.2	-26.1	35.2	0	0	0	115
488	Y	94.4	Very high	89.9	Confident	162 Å²	162	85.4 Å²	85.4	64%	0.635	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	15.9	179.4	-59.2	-75.1	0	0	0	113.4	H486 F490 Q491 E492	H486-Y488 PolarHBondContact O-N 3.23Å; H486-Y488 VanDerWaalsContact O-N 3.11Å; Y488-F490 PolarHBondContact O-N 2.91Å; Y488-Q491 PolarHBondContact O-N 2.91Å; Y488-Q491 PolarHBondContact O-OE1 3.22Å; Y488-E492 PolarHBondContact O-N 3.2Å; Y488-E492 VanDerWaalsContact O-N 3.14Å
489	W	95.7	Very high	86.8	Confident	13 Å²	13	95.3 Å²	95.3	5%	0.049	45%	0.448	C	S	.	.	H	α-helix	trans	-47.7	-40.2	-177.1	69.6	-87.5	0	0	0	113.3	D293 H294 F479 Y482 Q483 H486 Q491 E492 E493	D293-W489 HydrophobicContact CB-CH2 4.05Å; D293-W489 HydrophobicContact CB-CZ3 4.06Å; H294-W489 HydrophobicContact CB-CE3 4.11Å; H294-W489 HydrophobicContact CB-CZ3 3.85Å; F479-W489 HydrophobicContact CE1-CH2 4.41Å; F479-W489 HydrophobicContact CE2-CD2 4.4Å; F479-W489 HydrophobicContact CE2-CE3 4.21Å; F479-W489 HydrophobicContact CE2-CZ3 4.27Å; F479-W489 HydrophobicContact CZ-CD2 4.33Å; F479-W489 HydrophobicContact CZ-CE3 4.08Å; F479-W489 AromaticContact CZ-CH2 3.61Å; F479-W489 HydrophobicContact CZ-CH2 3.61Å; F479-W489 AromaticContact CZ-CZ2 3.87Å; F479-W489 HydrophobicContact CZ-CZ2 3.87Å; F479-W489 AromaticContact CZ-CZ3 3.72Å; F479-W489 HydrophobicContact CZ-CZ3 3.72Å; Y482-W489 HydrophobicContact CD1-CB 4.45Å; Y482-W489 HydrophobicContact CE1-CB 3.82Å; Q483-W489 HydrophobicContact CG-CD2 4.43Å; Q483-W489 HydrophobicContact CG-CG 4.4Å; Q483-W489 VanDerWaalsContact NE2-CZ2 3.28Å; H486-W489 HydrophobicContact CB-CB 4.05Å; H486-W489 VanDerWaalsContact O-CB 3.29Å; H486-W489 WeakPolarHBondContact O-CB 3.37Å; H486-W489 VanDerWaalsContact O-CD1 3.23Å; H486-W489 PolarHBondContact O-N 3.23Å; W489-Q491 PolarHBondContact O-N 3.06Å; W489-E492 PolarHBondContact O-N 2.84Å; W489-E493 WeakPolarHBondContact O-CG 3.04Å; W489-E493 PolarHBondContact O-N 3.33Å
490	F	95.1	Very high	86.3	Confident	12 Å²	12	100.1 Å²	100.1	5%	0.053	47%	0.471	C	S	.	.	H	α-helix	trans	-70.4	-35.8	-176.1	-174.2	-101.5	0	0	0	111.9	D293 R355 A359 L372 Y488 E493	D293-F490 HydrophobicContact CB-CE2 4.5Å; R355-F490 HydrophobicContact CB-CD2 4.03Å; R355-F490 HydrophobicContact CB-CE2 4.12Å; R355-F490 HydrophobicContact CB-CG 4.37Å; R355-F490 HydrophobicContact CG-CB 4.5Å; R355-F490 HydrophobicContact CG-CD1 3.84Å; R355-F490 HydrophobicContact CG-CD2 3.93Å; R355-F490 HydrophobicContact CG-CE1 4.01Å; R355-F490 HydrophobicContact CG-CE2 4.11Å; R355-F490 HydrophobicContact CG-CG 3.8Å; R355-F490 HydrophobicContact CG-CZ 4.16Å; A359-F490 HydrophobicContact CB-CE1 3.9Å; A359-F490 HydrophobicContact CB-CZ 3.72Å; L372-F490 HydrophobicContact CD2-CE2 3.91Å; L372-F490 HydrophobicContact CD2-CZ 4.05Å; Y488-F490 PolarHBondContact O-N 2.91Å; F490-E493 PolarHBondContact O-N 3.39Å
491	Q	94.1	Very high	85.7	Confident	85 Å²	85	99.1 Å²	99.1	40%	0.397	47%	0.472	S	S	.	.	H	α-helix	trans	-70.3	-35	175.5	-69.8	84.5	-14.4	0	0	111.5	Y488 W489 E493 L494	Y488-Q491 PolarHBondContact O-N 2.91Å; Y488-Q491 PolarHBondContact O-OE1 3.22Å; W489-Q491 PolarHBondContact O-N 3.06Å; Q491-E493 PolarHBondContact O-N 2.85Å; Q491-L494 WeakPolarHBondContact O-CB 3.33Å; Q491-L494 PolarHBondContact O-N 2.97Å
492	E	92.7	Very high	85	Confident	94 Å²	94	97.5 Å²	97.5	44%	0.439	47%	0.467	S	S	.	.	H	α-helix	trans	-67.8	-23.2	176.8	-66.4	171.9	-166.5	0	0	113	R373 Y488 W489	R373-E492 PolarHBondContact NH2-O 3.19Å; Y488-E492 PolarHBondContact O-N 3.2Å; Y488-E492 VanDerWaalsContact O-N 3.14Å; W489-E492 PolarHBondContact O-N 2.84Å
493	E	92.8	Very high	84.3	Confident	9 Å²	9	100.3 Å²	100.3	4%	0.042	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-11	175.1	-72	-60.7	124.9	0	0	113.7	H294 R373 W489 F490 Q491	H294-E493 HydrophobicContact CB-CG 4.47Å; H294-E493 IonicContact CD2-OE1 2.97Å; R373-E493 PolarHBondContact N-O 3.3Å; R373-E493 IonicContact NH1-OE1 2.86Å; R373-E493 PolarHBondContact NH1-OE1 2.88Å; W489-E493 WeakPolarHBondContact O-CG 3.04Å; W489-E493 PolarHBondContact O-N 3.33Å; F490-E493 PolarHBondContact O-N 3.39Å; Q491-E493 PolarHBondContact O-N 2.85Å
494	L	91.9	Very high	83.5	Confident	59 Å²	59	104.4 Å²	104.4	31%	0.309	50%	0.503	S	S	.	.	B	Isolated β-bridge	trans	-78	128.1	175.5	-63.7	171.6	0	0	0	110.4	V370 F371 L372 Q491	V370-L494 HydrophobicContact CG1-CD2 3.68Å; F371-L494 WeakPolarHBondContact O-CA 3.31Å; L372-L494 HydrophobicContact CD2-CD2 3.85Å; Q491-L494 WeakPolarHBondContact O-CB 3.33Å; Q491-L494 PolarHBondContact O-N 2.97Å
495	L	88.3	Confident	82.6	Confident	73 Å²	73	102.4 Å²	102.4	38%	0.382	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-85.9	128.4	170.8	-60.3	178.9	0	0	0	109.8	F371 R373 A376	F371-L495 HydrophobicContact CB-CB 4.38Å; F371-L495 PolarHBondContact O-N 2.98Å; R373-L495 HydrophobicContact CB-CD2 4.23Å; R373-L495 HydrophobicContact CB-CG 4.36Å; A376-L495 HydrophobicContact CB-CD1 3.75Å
496	E	75.6	Confident	81.5	Confident	183 Å²	183	101.4 Å²	101.4	86%	0.855	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-77.6	132.5	168.5	-63.9	-170.2	158.6	0	0	109.2	S498	E496-S498 PolarHBondContact O-N 2.89Å
497	R	54.5	Low	80.5	Confident	204 Å²	204	103.8 Å²	103.8	77%	0.77	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-72.4	116.5	174.9	-159.3	-179.9	-174.2	-177.8	2.2	107.4	E499	R497-E499 PolarHBondContact O-N 3.41Å
498	S	43.3	Very low	79.4	Confident	112 Å²	112	105.2 Å²	105.2	78%	0.783	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-64.8	116.6	156.1	54.8	0	0	0	0	106.5	E496	E496-S498 PolarHBondContact O-N 2.89Å
499	E	34	Very low	78	Confident	256 Å²	256	100 Å²	100	100%	1.196	48%	0.48	S	S	*	.			trans	-50.7	0	177.1	-71.6	-176.9	152	0	0	113.2	R497	R497-E499 PolarHBondContact O-N 3.41Å

Retrieved 499 of 499 residues in 1230.3 ms (Link to these results)

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