A0A087XUR4_POEFO Loading...

Serine peptidase inhibitor, Kunitz type 1 a

AlphaFold DB , UniProt , Accession A0A087XUR4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 481 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	33.6	Very low	223 Å²	223	147.1 Å²	147.1	100%	1.099	81%	0.811	S	S	*	*				0	119	0	-164	153.5	67.4	0	0	106.5
2	N	28.9	Very low	33.8	Very low	143 Å²	143	147.8 Å²	147.8	77%	0.765	81%	0.812	S	S	*	*			trans	76.5	98	171.7	-51.3	-12.1	0	0	0	114.1
3	L	38.7	Very low	33.9	Very low	163 Å²	163	147.1 Å²	147.1	85%	0.853	81%	0.805	S	S	*	*			cis	54.1	114.4	47.2	-114.5	145.4	0	0	0	109.9
4	L	33.9	Very low	33.9	Very low	162 Å²	162	148.6 Å²	148.6	85%	0.848	80%	0.8	S	S	*	*			trans	104.2	70	-179.2	-60.9	152.4	0	0	0	115.9
5	F	32.7	Very low	34	Very low	226 Å²	226	148.3 Å²	148.3	99%	0.991	80%	0.797	S	S	*	*	S	Bend	trans	-154.8	27.1	154.7	-111.2	-73.6	0	0	0	114.5
6	G	33.1	Very low	34	Very low	80 Å²	80	143 Å²	143	83%	0.825	79%	0.788	S	S	*	*	S	Bend	trans	-134.2	19.7	-174.2	0	0	0	0	0	116.1
7	C	31.1	Very low	34.1	Very low	114 Å²	114	144 Å²	144	77%	0.77	78%	0.783	S	S	*	*	S	Bend	trans	-123.4	22.2	-173.3	-135	0	0	0	0	115.2
8	H	31.7	Very low	33.9	Very low	171 Å²	171	143.4 Å²	143.4	79%	0.792	78%	0.779	S	S	*	*	S	Bend	trans	-116.5	2.5	179	-93.7	-48.8	0	0	0	116.3
9	F	33.3	Very low	34.2	Very low	205 Å²	205	145.7 Å²	145.7	90%	0.899	78%	0.783	S	S	*	*	S	Bend	trans	-106.4	0.5	174.4	-108.6	-87.9	0	0	0	115
10	A	35.1	Very low	34.4	Very low	73 Å²	73	145.3 Å²	145.3	60%	0.603	78%	0.78	S	S	*	*	S	Bend	trans	-99.8	-7.9	176.4	0	0	0	0	0	114
11	A	35.5	Very low	34.6	Very low	58 Å²	58	142.3 Å²	142.3	48%	0.479	77%	0.767	S	S	.	*	S	Bend	trans	-90.4	-7.4	-174.1	0	0	0	0	0	114.7
12	L	35.8	Very low	34.6	Very low	156 Å²	156	136.2 Å²	136.2	82%	0.817	75%	0.752	S	S	*	*	S	Bend	trans	-103.3	-4.7	179.2	-89.7	155.6	0	0	0	114.3
13	L	35.8	Very low	35	Very low	138 Å²	138	131.9 Å²	131.9	72%	0.723	74%	0.741	S	S	*	*	S	Bend	trans	-97.7	-6.9	171.7	-94.8	158.1	0	0	0	113.6
14	F	34.2	Very low	34.7	Very low	169 Å²	169	130.4 Å²	130.4	74%	0.741	73%	0.73	S	S	*	*	S	Bend	trans	-101.2	-4.6	-179.7	-106.9	-83.6	0	0	0	115
15	L	34.5	Very low	34.8	Very low	143 Å²	143	127.1 Å²	127.1	75%	0.749	72%	0.719	S	S	*	*	S	Bend	trans	-98.8	-1.4	176.5	-85.7	153.5	0	0	0	113.6
16	G	34.5	Very low	35.6	Very low	64 Å²	64	120.8 Å²	120.8	66%	0.66	70%	0.699	S	S	*	*	S	Bend	trans	-98.6	-6.5	174.6	0	0	0	0	0	115.2
17	F	35	Very low	36.4	Very low	160 Å²	160	117.9 Å²	117.9	70%	0.702	67%	0.668	S	S	*	*	S	Bend	trans	-108.9	6.7	-175.1	-99.9	-80.9	0	0	0	114.7
18	L	31.7	Very low	37.8	Very low	134 Å²	134	118.2 Å²	118.2	70%	0.702	66%	0.662	S	S	*	*	S	Bend	trans	-96.3	7.3	179.8	-93.6	156.8	0	0	0	114.4
19	H	38.3	Very low	40	Very low	187 Å²	187	114.1 Å²	114.1	87%	0.866	65%	0.649	S	S	*	*	S	Bend	trans	-115.1	12.3	177.6	-97	-40.1	0	0	0	116.2
20	L	39.3	Very low	42.5	Very low	136 Å²	136	105 Å²	105	71%	0.712	61%	0.611	S	S	*	*	S	Bend	trans	-123.4	-3.1	176.5	-101.7	92.4	0	0	0	117.4
21	T	38.1	Very low	44.9	Very low	84 Å²	84	103.9 Å²	103.9	52%	0.515	59%	0.594	S	S	.	*	S	Bend	trans	-104.9	8.3	-169.8	53.6	0	0	0	0	116
22	A	35	Very low	47.4	Very low	94 Å²	94	103.9 Å²	103.9	78%	0.777	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-21.1	172.7	0	0	0	0	0	113.4
23	G	36.9	Very low	50	Low	53 Å²	53	102.7 Å²	102.7	55%	0.546	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.2	-19.5	-177	0	0	0	0	0	115.4	T26	G23-T26 PolarHBondContact O-OG1 3.42Å
24	Q	33.8	Very low	52.7	Low	131 Å²	131	96.7 Å²	96.7	61%	0.612	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-29.1	-176.7	-89.5	166.9	-35.9	0	0	113.6	T26 A27	Q24-T26 VanDerWaalsContact C-N 3.28Å; Q24-T26 PolarHBondContact O-N 3.48Å; Q24-A27 PolarHBondContact O-N 3.07Å
25	C	35.7	Very low	55.3	Low	93 Å²	93	90.8 Å²	90.8	63%	0.628	53%	0.527	S	S	*	.	H	α-helix	trans	-71.2	-19	179.9	-66.7	0	0	0	0	114.2	T29	C25-T29 PolarHBondContact O-OG1 2.91Å
26	T	49	Very low	57.9	Low	93 Å²	93	86.7 Å²	86.7	57%	0.571	51%	0.513	S	S	*	.	H	α-helix	trans	-87.4	-27	177.5	51.1	0	0	0	0	113.4	G23 Q24 T29 C30	G23-T26 PolarHBondContact O-OG1 3.42Å; Q24-T26 VanDerWaalsContact C-N 3.28Å; Q24-T26 PolarHBondContact O-N 3.48Å; T26-T29 WeakPolarHBondContact CA-OG1 3.36Å; T26-T29 PolarHBondContact O-OG1 2.85Å; T26-T29 VanDerWaalsContact O-OG1 3.1Å; T26-C30 PolarHBondContact O-N 2.76Å
27	A	49.8	Very low	60.3	Low	20 Å²	20	84.4 Å²	84.4	17%	0.165	49%	0.49	C	S	.	.	H	α-helix	trans	-73.8	-45.9	-178.6	0	0	0	0	0	111.9	Q24 T29 C30 L31 E69	Q24-A27 PolarHBondContact O-N 3.07Å; A27-T29 VanDerWaalsContact C-N 3.29Å; A27-T29 PolarHBondContact O-N 2.89Å; A27-C30 PolarHBondContact O-N 3.16Å; A27-L31 PolarHBondContact O-N 3.11Å; A27-E69 WeakPolarHBondContact CB-OE1 3.38Å
28	D	60.9	Low	62.7	Low	120 Å²	120	80.6 Å²	80.6	64%	0.642	47%	0.473	S	S	*	.	H	α-helix	trans	-66.6	-30	180	-72.7	-20.8	0	0	0	112.8	A32	D28-A32 PolarHBondContact O-N 2.93Å
29	T	78	Confident	65.4	Low	85 Å²	85	78.1 Å²	78.1	52%	0.521	46%	0.458	S	S	.	.	H	α-helix	trans	-78.4	-28.3	176.9	45.5	0	0	0	0	113.3	C25 T26 A27	C25-T29 PolarHBondContact O-OG1 2.91Å; T26-T29 WeakPolarHBondContact CA-OG1 3.36Å; T26-T29 PolarHBondContact O-OG1 2.85Å; T26-T29 VanDerWaalsContact O-OG1 3.1Å; A27-T29 VanDerWaalsContact C-N 3.29Å; A27-T29 PolarHBondContact O-N 2.89Å
30	C	84.8	Confident	67.7	Low	14 Å²	14	72.8 Å²	72.8	10%	0.095	44%	0.436	C	S	.	.	H	α-helix	trans	-69.7	-52.9	174.8	151.4	0	0	0	0	111.1	T26 A27 A32 K33 C72	T26-C30 PolarHBondContact O-N 2.76Å; A27-C30 PolarHBondContact O-N 3.16Å; C30-A32 PolarHBondContact O-N 3.17Å; C30-K33 WeakPolarHBondContact O-CB 3.21Å; C30-K33 PolarHBondContact O-N 2.63Å; C30-C72 HydrophobicContact CB-CB 3.84Å; C30-C72 WeakPolarHBondContact CB-SG 3.25Å; C30-C72 WeakPolarHBondContact SG-CB 3.4Å; C30-C72 CovalentContact SG-SG 2.02Å; C30-C72 PolarHBondContact SG-SG 3.41Å
31	L	85.9	Confident	70	Confident	49 Å²	49	66.5 Å²	66.5	26%	0.257	40%	0.403	S	S	.	.	H	α-helix	trans	-58.4	-36.2	-178.6	-69.6	160.1	0	0	0	111.9	A27 K33 F34 T65 V68	A27-L31 PolarHBondContact O-N 3.11Å; L31-K33 PolarHBondContact O-N 3.27Å; L31-K33 VanDerWaalsContact O-N 3.09Å; L31-F34 PolarHBondContact O-N 3.07Å; L31-T65 HydrophobicContact CD1-CG2 3.67Å; L31-T65 HydrophobicContact CD2-CG2 4.1Å; L31-T65 HydrophobicContact CG-CG2 4.4Å; L31-V68 HydrophobicContact CD2-CB 3.8Å; L31-V68 HydrophobicContact CD2-CG1 3.85Å; L31-V68 HydrophobicContact CD2-CG2 4.33Å
32	A	88.4	Confident	72.4	Confident	58 Å²	58	62.5 Å²	62.5	48%	0.479	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.2	177.4	0	0	0	0	0	114.1	D28 C30 K120	D28-A32 PolarHBondContact O-N 2.93Å; C30-A32 PolarHBondContact O-N 3.17Å; A32-K120 WeakPolarHBondContact O-CD 3.38Å; A32-K120 VanDerWaalsContact O-CE 3.32Å; A32-K120 WeakPolarHBondContact O-CE 3.41Å; A32-K120 PolarHBondContact O-NZ 3.05Å
33	K	91	Very high	74.9	Confident	131 Å²	131	58 Å²	58	57%	0.57	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-13.2	176.6	-61.3	-178.2	-176.8	178.3	0	113.5	C30 L31 L119 K120	C30-K33 WeakPolarHBondContact O-CB 3.21Å; C30-K33 PolarHBondContact O-N 2.63Å; L31-K33 PolarHBondContact O-N 3.27Å; L31-K33 VanDerWaalsContact O-N 3.09Å; K33-L119 HydrophobicContact CB-CD1 3.96Å; K33-K120 WeakPolarHBondContact O-CB 3.41Å; K33-K120 VanDerWaalsContact O-CG 3.3Å; K33-K120 WeakPolarHBondContact O-CG 3.46Å; K33-K120 PolarHBondContact O-N 2.82Å
34	F	91.3	Very high	77.3	Confident	12 Å²	12	55.7 Å²	55.7	5%	0.053	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.5	-179.4	-74.1	-100.6	0	0	0	110.4	L31 V68 C71 Y117 I118 L119	L31-F34 PolarHBondContact O-N 3.07Å; F34-V68 HydrophobicContact CB-CG1 4.09Å; F34-V68 HydrophobicContact CD1-CG1 4.36Å; F34-V68 HydrophobicContact CD2-CG1 3.76Å; F34-V68 HydrophobicContact CE2-CG1 4.32Å; F34-V68 HydrophobicContact CG-CG1 3.8Å; F34-C71 HydrophobicContact CZ-CB 4.34Å; F34-C71 VanDerWaalsContact CZ-SG 3.57Å; F34-Y117 HydrophobicContact CB-CD1 4.29Å; F34-I118 CarbonylContact C-O 3.6Å; F34-I118 WeakPolarHBondContact CA-O 3.49Å; F34-I118 VanDerWaalsContact CD1-C 3.46Å; F34-L119 HydrophobicContact CD1-CB 4.38Å; F34-L119 HydrophobicContact CD2-CD1 4.18Å; F34-L119 HydrophobicContact CE1-CB 3.99Å; F34-L119 HydrophobicContact CE1-CD1 4.34Å; F34-L119 HydrophobicContact CE2-CD1 3.72Å; F34-L119 HydrophobicContact CZ-CB 4.24Å; F34-L119 HydrophobicContact CZ-CD1 3.81Å
35	D	89.6	Confident	79.8	Confident	45 Å²	45	49.6 Å²	49.6	24%	0.241	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	144.7	166.9	-84.7	-18.2	0	0	0	109.2	G37 Y117 I118 K120 R426	D35-G37 PolarHBondContact O-N 3.04Å; D35-Y117 WeakPolarHBondContact O-CA 3.2Å; D35-I118 PolarHBondContact N-O 2.79Å; D35-I118 PolarHBondContact O-N 2.75Å; D35-K120 HydrophobicContact CB-CG 4.34Å; D35-K120 VanDerWaalsContact CG-CE 3.42Å; D35-K120 WeakPolarHBondContact OD1-CE 3.23Å; D35-K120 IonicContact OD1-NZ 2.81Å; D35-R426 IonicContact OD2-NH1 3.54Å; D35-R426 PolarHBondContact OD2-NH1 3.43Å; D35-R426 VanDerWaalsContact OD2-NH1 3.16Å
36	A	88.8	Confident	82.2	Confident	57 Å²	57	48.3 Å²	48.3	47%	0.471	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	128.7	168.5	0	0	0	0	0	109.1	Y117	A36-Y117 HydrophobicContact CB-CD1 4.44Å; A36-Y117 HydrophobicContact CB-CE1 4.03Å
37	G	85.5	Confident	84	Confident	17 Å²	17	45.2 Å²	45.2	18%	0.175	26%	0.259	C	S	.	.			trans	-74.2	179.2	172.5	0	0	0	0	0	112.2	D35 E39 S116	D35-G37 PolarHBondContact O-N 3.04Å; G37-E39 PolarHBondContact O-N 2.85Å; G37-S116 PolarHBondContact N-O 3.37Å
38	K	84.6	Confident	85.9	Confident	79 Å²	79	44.3 Å²	44.3	34%	0.343	25%	0.252	S	S	.	.			trans	-66.5	134.4	177.8	-167.2	171.3	176.4	-175.5	0	110.7	F41 I423 F424	K38-F41 HydrophobicContact CB-CD2 3.85Å; K38-F41 HydrophobicContact CB-CE2 4.28Å; K38-F41 HydrophobicContact CB-CG 4.44Å; K38-F41 HydrophobicContact CD-CD2 3.8Å; K38-F41 HydrophobicContact CD-CE2 3.33Å; K38-F41 HydrophobicContact CD-CZ 3.86Å; K38-F41 VanDerWaalsContact CE-CE2 3.43Å; K38-F41 HydrophobicContact CG-CD2 3.64Å; K38-F41 HydrophobicContact CG-CE2 3.64Å; K38-I423 PolarHBondContact NZ-O 2.64Å; K38-F424 HydrophobicContact CB-CD2 3.96Å; K38-F424 HydrophobicContact CB-CE2 3.93Å
39	E	87.9	Confident	87.3	Confident	83 Å²	83	38.6 Å²	38.6	39%	0.388	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	145.8	179.4	-73.8	-68.9	-169.3	0	0	112.5	G37 F41 K84	G37-E39 PolarHBondContact O-N 2.85Å; E39-F41 VanDerWaalsContact C-N 3.32Å; E39-F41 WeakPolarHBondContact O-CD2 3.39Å; E39-K84 IonicContact OE1-NZ 2.96Å; E39-K84 PolarHBondContact OE1-NZ 2.64Å; E39-K84 WeakPolarHBondContact OE2-CE 3.47Å; E39-K84 IonicContact OE2-NZ 3.03Å; E39-K84 PolarHBondContact OE2-NZ 3.3Å
40	N	87.5	Confident	87.9	Confident	74 Å²	74	37.5 Å²	37.5	40%	0.396	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	37.1	-175.3	-53.5	-64.5	0	0	0	113.4	K110 K111 S112 G113 Y114	N40-K110 CarbonylContact O-C 3Å; N40-K110 WeakPolarHBondContact O-CA 3.18Å; N40-K111 CarbonylContact C-O 3.55Å; N40-K111 WeakPolarHBondContact CA-O 3.39Å; N40-K111 CarbonylContact O-C 3.15Å; N40-K111 PolarHBondContact O-N 3.49Å; N40-K111 VanDerWaalsContact O-O 3.04Å; N40-S112 WeakPolarHBondContact OD1-CA 3.34Å; N40-G113 PolarHBondContact OD1-N 2.68Å; N40-Y114 WeakPolarHBondContact CA-O 3.48Å; N40-Y114 PolarHBondContact N-O 2.69Å
41	F	87.6	Confident	88.1	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.9	168.6	-78.7	-102.1	0	0	0	110	K38 E39 F108 V109 K110 Y114 D422 I423 F424	K38-F41 HydrophobicContact CB-CD2 3.85Å; K38-F41 HydrophobicContact CB-CE2 4.28Å; K38-F41 HydrophobicContact CB-CG 4.44Å; K38-F41 HydrophobicContact CD-CD2 3.8Å; K38-F41 HydrophobicContact CD-CE2 3.33Å; K38-F41 HydrophobicContact CD-CZ 3.86Å; K38-F41 VanDerWaalsContact CE-CE2 3.43Å; K38-F41 HydrophobicContact CG-CD2 3.64Å; K38-F41 HydrophobicContact CG-CE2 3.64Å; E39-F41 VanDerWaalsContact C-N 3.32Å; E39-F41 WeakPolarHBondContact O-CD2 3.39Å; F41-F108 HydrophobicContact CD1-CB 4.32Å; F41-V109 CarbonylContact C-O 3.59Å; F41-V109 WeakPolarHBondContact CA-O 3.4Å; F41-K110 HydrophobicContact CD1-CB 4.47Å; F41-K110 HydrophobicContact CE1-CB 4.07Å; F41-K110 HydrophobicContact CZ-CB 4.16Å; F41-K110 HydrophobicContact CZ-CG 4.4Å; F41-Y114 WeakPolarHBondContact O-CB 3.14Å; F41-D422 WeakPolarHBondContact CE1-O 3.08Å; F41-I423 WeakPolarHBondContact CZ-O 3.42Å; F41-F424 HydrophobicContact CB-CD2 3.57Å; F41-F424 HydrophobicContact CB-CE2 3.73Å; F41-F424 HydrophobicContact CD1-CB 4.02Å; F41-F424 AromaticContact CD1-CD2 3.6Å; F41-F424 HydrophobicContact CD1-CD2 3.6Å; F41-F424 HydrophobicContact CD1-CG 4.29Å; F41-F424 HydrophobicContact CD2-CD2 4.29Å; F41-F424 HydrophobicContact CE1-CB 4.1Å; F41-F424 HydrophobicContact CE1-CD2 4.35Å; F41-F424 AromaticContact CG-CD2 3.55Å; F41-F424 HydrophobicContact CG-CD2 3.55Å; F41-F424 HydrophobicContact CG-CE2 4.18Å
42	M	87.8	Confident	88.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.8	177.3	175	166.8	178	0	0	109.2	N44 V45 L81 F108 V109 K111 Y114 L353 L356	M42-N44 PolarHBondContact O-N 2.8Å; M42-V45 HydrophobicContact CE-CG2 4.48Å; M42-L81 HydrophobicContact CE-CD2 4.24Å; M42-L81 HydrophobicContact CG-CD1 4.49Å; M42-L81 HydrophobicContact CG-CD2 4.2Å; M42-F108 CarbonylContact O-C 3.54Å; M42-F108 WeakPolarHBondContact O-CA 3.5Å; M42-V109 PolarHBondContact N-O 3.14Å; M42-V109 VanDerWaalsContact O-CG2 3.26Å; M42-V109 WeakPolarHBondContact O-CG2 3.05Å; M42-V109 PolarHBondContact O-N 2.9Å; M42-K111 HydrophobicContact CB-CB 3.77Å; M42-K111 HydrophobicContact CB-CD 4.24Å; M42-K111 HydrophobicContact CB-CG 4.48Å; M42-K111 HydrophobicContact SD-CD 3.77Å; M42-Y114 HydrophobicContact CB-CD1 4.35Å; M42-Y114 HydrophobicContact CB-CD2 4.16Å; M42-Y114 HydrophobicContact CB-CG 3.92Å; M42-Y114 HydrophobicContact CE-CE1 4.32Å; M42-Y114 HydrophobicContact CG-CD1 4.19Å; M42-Y114 HydrophobicContact CG-CE1 4.45Å; M42-Y114 HydrophobicContact CG-CG 4.23Å; M42-Y114 HydrophobicContact SD-CD1 3.98Å; M42-Y114 HydrophobicContact SD-CD2 4.1Å; M42-Y114 HydrophobicContact SD-CE1 3.68Å; M42-Y114 HydrophobicContact SD-CE2 3.83Å; M42-Y114 HydrophobicContact SD-CG 4.17Å; M42-Y114 VanDerWaalsContact SD-CZ 3.59Å; M42-L353 HydrophobicContact CE-CD2 3.57Å; M42-L356 HydrophobicContact CE-CD1 3.2Å; M42-L356 HydrophobicContact SD-CD1 3.38Å; M42-L356 WeakPolarHBondContact SD-CD1 3.04Å
43	L	88.1	Confident	88.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	125.5	169.9	-168.8	73	0	0	0	110.4	V45 S48 L81 F96 C106 R107 F108	L43-V45 VanDerWaalsContact C-N 3.29Å; L43-V45 HydrophobicContact CD2-CG2 4.41Å; L43-V45 PolarHBondContact O-N 2.94Å; L43-S48 WeakPolarHBondContact CD1-OG 3.19Å; L43-L81 HydrophobicContact CB-CD2 4.03Å; L43-F96 HydrophobicContact CD2-CB 4.44Å; L43-F96 HydrophobicContact CD2-CD1 3.66Å; L43-F96 HydrophobicContact CD2-CD2 3.87Å; L43-F96 HydrophobicContact CD2-CE1 3.72Å; L43-F96 HydrophobicContact CD2-CE2 3.92Å; L43-F96 HydrophobicContact CD2-CG 3.73Å; L43-F96 HydrophobicContact CD2-CZ 3.84Å; L43-C106 HydrophobicContact CD1-CB 3.46Å; L43-C106 VanDerWaalsContact CD1-CB 3.46Å; L43-C106 VanDerWaalsContact CD1-SG 3.52Å; L43-R107 CarbonylContact C-O 3.55Å; L43-R107 WeakPolarHBondContact CA-O 3.37Å; L43-R107 WeakPolarHBondContact CD1-O 3.47Å; L43-F108 HydrophobicContact CB-CE1 4.42Å; L43-F108 HydrophobicContact CD1-CD2 4.44Å; L43-F108 HydrophobicContact CD1-CE1 4.23Å; L43-F108 HydrophobicContact CD1-CE2 4.17Å; L43-F108 HydrophobicContact CD1-CZ 4.05Å
44	N	87.2	Confident	88.7	Confident	5 Å²	5	29.1 Å²	29.1	3%	0.027	17%	0.17	C	C	.	.			trans	-71.6	89.1	165.8	-176.8	-4.4	0	0	0	108.3	M42 S46 E47 S48 R107 V109 L358 N361	M42-N44 PolarHBondContact O-N 2.8Å; N44-S46 VanDerWaalsContact C-N 3.28Å; N44-S46 PolarHBondContact O-N 3.22Å; N44-S46 PolarHBondContact OD1-N 3.37Å; N44-E47 HydrophobicContact CB-CB 4.34Å; N44-E47 WeakPolarHBondContact ND2-CB 3.48Å; N44-E47 PolarHBondContact ND2-OE2 3.18Å; N44-E47 PolarHBondContact O-N 3.07Å; N44-S48 VanDerWaalsContact O-CB 3.23Å; N44-S48 WeakPolarHBondContact O-CB 3.48Å; N44-S48 PolarHBondContact O-N 3.41Å; N44-S48 PolarHBondContact O-OG 3.16Å; N44-R107 HydrophobicContact CB-CB 4.3Å; N44-R107 PolarHBondContact N-O 3.48Å; N44-V109 HydrophobicContact CB-CG1 3.88Å; N44-V109 HydrophobicContact CB-CG2 3.98Å; N44-L358 HydrophobicContact CB-CD1 4.35Å; N44-N361 PolarHBondContact ND2-ND2 2.96Å
45	V	87.3	Confident	88.8	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-37.1	-172.4	178.4	0	0	0	0	112.1	M42 L43 V49 F96 F350 L353 L354	M42-V45 HydrophobicContact CE-CG2 4.48Å; L43-V45 VanDerWaalsContact C-N 3.29Å; L43-V45 HydrophobicContact CD2-CG2 4.41Å; L43-V45 PolarHBondContact O-N 2.94Å; V45-V49 HydrophobicContact CG1-CG2 3.96Å; V45-V49 VanDerWaalsContact O-CB 3.28Å; V45-V49 WeakPolarHBondContact O-CB 3.3Å; V45-V49 WeakPolarHBondContact O-CG2 3.46Å; V45-V49 PolarHBondContact O-N 3.4Å; V45-F96 HydrophobicContact CG1-CE1 4.35Å; V45-F96 HydrophobicContact CG2-CE1 4.32Å; V45-F96 HydrophobicContact CG2-CZ 3.94Å; V45-F350 HydrophobicContact CG1-CD2 4.44Å; V45-F350 HydrophobicContact CG1-CE2 3.52Å; V45-F350 HydrophobicContact CG1-CZ 3.79Å; V45-L353 HydrophobicContact CG2-CB 3.99Å; V45-L353 HydrophobicContact CG2-CD1 4.38Å; V45-L353 HydrophobicContact CG2-CD2 4.41Å; V45-L354 HydrophobicContact CG1-CD2 4.13Å
46	S	85.6	Confident	88.8	Confident	66 Å²	66	27.3 Å²	27.3	46%	0.462	16%	0.161	S	C	.	.	H	α-helix	trans	-64.8	-51.3	-178	-171.9	0	0	0	0	111.4	N44 S50 F251	N44-S46 VanDerWaalsContact C-N 3.28Å; N44-S46 PolarHBondContact O-N 3.22Å; N44-S46 PolarHBondContact OD1-N 3.37Å; S46-S50 WeakPolarHBondContact O-CB 3.47Å; S46-S50 PolarHBondContact O-N 3.41Å; S46-F251 WeakPolarHBondContact O-CE1 3.06Å
47	E	85.9	Confident	88.9	Confident	29 Å²	29	26.1 Å²	26.1	14%	0.136	15%	0.15	C	C	.	.	H	α-helix	trans	-68.4	-43.1	-179.7	-166.8	175.5	-174.8	0	0	110.8	N44 V49 S50 D51 R107	N44-E47 HydrophobicContact CB-CB 4.34Å; N44-E47 WeakPolarHBondContact ND2-CB 3.48Å; N44-E47 PolarHBondContact ND2-OE2 3.18Å; N44-E47 PolarHBondContact O-N 3.07Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 3.28Å; E47-S50 WeakPolarHBondContact O-CA 2.87Å; E47-S50 VanDerWaalsContact O-CB 3.29Å; E47-S50 WeakPolarHBondContact O-CB 3.41Å; E47-S50 PolarHBondContact O-N 3.22Å; E47-S50 VanDerWaalsContact O-N 3.11Å; E47-D51 PolarHBondContact O-N 3.23Å; E47-R107 HydrophobicContact CB-CG 4.4Å; E47-R107 HydrophobicContact CG-CB 4.44Å; E47-R107 HydrophobicContact CG-CG 3.88Å
48	S	89.9	Confident	89.1	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.2	-43.3	-179.5	-53.8	0	0	0	0	112.3	L43 N44 D51 G52 A53 A105 R107	L43-S48 WeakPolarHBondContact CD1-OG 3.19Å; N44-S48 VanDerWaalsContact O-CB 3.23Å; N44-S48 WeakPolarHBondContact O-CB 3.48Å; N44-S48 PolarHBondContact O-N 3.41Å; N44-S48 PolarHBondContact O-OG 3.16Å; S48-D51 CarbonylContact O-C 3.59Å; S48-D51 PolarHBondContact O-N 3.24Å; S48-G52 PolarHBondContact O-N 3.4Å; S48-A53 WeakPolarHBondContact O-CA 3.31Å; S48-A53 WeakPolarHBondContact O-CB 3.37Å; S48-A53 PolarHBondContact O-N 3.22Å; S48-A105 WeakPolarHBondContact CA-O 3.42Å; S48-R107 PolarHBondContact OG-N 3.45Å; S48-R107 PolarHBondContact OG-O 2.76Å
49	V	91.4	Very high	89.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-73	-31	178.5	176.7	0	0	0	0	111.4	V45 E47 D51 G52 A53 F251 R253 F350	V45-V49 HydrophobicContact CG1-CG2 3.96Å; V45-V49 VanDerWaalsContact O-CB 3.28Å; V45-V49 WeakPolarHBondContact O-CB 3.3Å; V45-V49 WeakPolarHBondContact O-CG2 3.46Å; V45-V49 PolarHBondContact O-N 3.4Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 3.28Å; V49-D51 VanDerWaalsContact C-N 3.28Å; V49-D51 PolarHBondContact O-N 3.17Å; V49-G52 PolarHBondContact O-N 2.92Å; V49-A53 WeakPolarHBondContact CA-O 3.21Å; V49-A53 WeakPolarHBondContact CG2-O 3.29Å; V49-F251 HydrophobicContact CB-CD1 4.22Å; V49-F251 HydrophobicContact CB-CD2 4.4Å; V49-F251 HydrophobicContact CB-CE1 3.86Å; V49-F251 HydrophobicContact CB-CE2 4.04Å; V49-F251 HydrophobicContact CB-CG 4.48Å; V49-F251 HydrophobicContact CB-CZ 3.74Å; V49-F251 HydrophobicContact CG1-CD1 3.99Å; V49-F251 HydrophobicContact CG1-CD2 3.51Å; V49-F251 HydrophobicContact CG1-CE1 3.99Å; V49-F251 HydrophobicContact CG1-CE2 3.48Å; V49-F251 VanDerWaalsContact CG1-CE2 3.48Å; V49-F251 HydrophobicContact CG1-CG 3.76Å; V49-F251 HydrophobicContact CG1-CZ 3.73Å; V49-F251 HydrophobicContact CG2-CZ 4.47Å; V49-R253 PolarHBondContact O-NH2 2.99Å; V49-F350 HydrophobicContact CG2-CZ 4.34Å
50	S	90	Very high	89.6	Confident	62 Å²	62	28.6 Å²	28.6	43%	0.434	16%	0.159	S	C	.	.	H	α-helix	trans	-59.7	-42.7	170.1	-167.7	0	0	0	0	111.1	S46 E47 G52	S46-S50 WeakPolarHBondContact O-CB 3.47Å; S46-S50 PolarHBondContact O-N 3.41Å; E47-S50 WeakPolarHBondContact O-CA 2.87Å; E47-S50 VanDerWaalsContact O-CB 3.29Å; E47-S50 WeakPolarHBondContact O-CB 3.41Å; E47-S50 PolarHBondContact O-N 3.22Å; E47-S50 VanDerWaalsContact O-N 3.11Å; S50-G52 PolarHBondContact O-N 3.38Å
51	D	88.9	Confident	89.8	Confident	62 Å²	62	26.7 Å²	26.7	33%	0.332	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-3	177.7	-73.2	-0.1	0	0	0	113.7	E47 S48 V49 A105 R107 I279	E47-D51 PolarHBondContact O-N 3.23Å; S48-D51 CarbonylContact O-C 3.59Å; S48-D51 PolarHBondContact O-N 3.24Å; V49-D51 VanDerWaalsContact C-N 3.28Å; V49-D51 PolarHBondContact O-N 3.17Å; D51-A105 HydrophobicContact CB-CB 3.92Å; D51-A105 VanDerWaalsContact O-CB 3.28Å; D51-A105 WeakPolarHBondContact O-CB 3.02Å; D51-R107 IonicContact OD2-CZ 3.64Å; D51-R107 IonicContact OD2-NE 3.64Å; D51-R107 PolarHBondContact OD2-NE 2.7Å; D51-R107 IonicContact OD2-NH2 3.14Å; D51-I279 WeakPolarHBondContact O-CD1 3.13Å
52	G	92.3	Very high	90	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.3	-1.1	172.8	0	0	0	0	0	116.2	S48 V49 S50 I279	S48-G52 PolarHBondContact O-N 3.4Å; V49-G52 PolarHBondContact O-N 2.92Å; S50-G52 PolarHBondContact O-N 3.38Å; G52-I279 VanDerWaalsContact CA-CD1 3.47Å
53	A	94.1	Very high	90.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.188	C	C	.	.			trans	-60.5	144.9	173.8	0	0	0	0	0	110.6	S48 V49 D97 A105	S48-A53 WeakPolarHBondContact O-CA 3.31Å; S48-A53 WeakPolarHBondContact O-CB 3.37Å; S48-A53 PolarHBondContact O-N 3.22Å; V49-A53 WeakPolarHBondContact CA-O 3.21Å; V49-A53 WeakPolarHBondContact CG2-O 3.29Å; A53-D97 CarbonylContact C-O 3.57Å; A53-D97 WeakPolarHBondContact CA-O 3.49Å; A53-D97 WeakPolarHBondContact CB-O 3.1Å; A53-A105 HydrophobicContact CB-CB 4.05Å
54	T	92	Very high	90.4	Very high	13 Å²	13	33 Å²	33	8%	0.08	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.9	-176.2	-62.3	0	0	0	0	110.3	L56 F96 D97 E273	T54-L56 HydrophobicContact CG2-CD2 4.1Å; T54-L56 PolarHBondContact O-N 2.82Å; T54-F96 WeakPolarHBondContact O-CA 3Å; T54-D97 PolarHBondContact N-O 3.17Å; T54-D97 PolarHBondContact O-N 3.28Å; T54-E273 WeakPolarHBondContact CG2-OE2 3.11Å
55	F	92.4	Very high	90.7	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.3	169	175.2	-111.3	0	0	0	109.9	S57 Y94 F96 C271 F346 F350 L353	F55-S57 VanDerWaalsContact CE2-O 3.25Å; F55-S57 WeakPolarHBondContact CE2-O 3.45Å; F55-S57 VanDerWaalsContact CZ-C 3.48Å; F55-Y94 AromaticContact CE2-CD1 3.92Å; F55-Y94 HydrophobicContact CE2-CD1 3.92Å; F55-Y94 HydrophobicContact CZ-CD1 4.36Å; F55-F96 HydrophobicContact CB-CD1 4.24Å; F55-F96 HydrophobicContact CB-CE1 3.91Å; F55-F96 HydrophobicContact CD2-CD1 4.34Å; F55-F96 AromaticContact CD2-CE1 3.82Å; F55-F96 HydrophobicContact CD2-CE1 3.82Å; F55-F96 HydrophobicContact CD2-CE2 4.28Å; F55-F96 AromaticContact CD2-CZ 3.79Å; F55-F96 HydrophobicContact CD2-CZ 3.79Å; F55-F96 HydrophobicContact CG-CE1 4.34Å; F55-C271 HydrophobicContact CB-CB 4.13Å; F55-C271 HydrophobicContact CD1-CB 3.91Å; F55-F346 HydrophobicContact CD1-CD1 4.29Å; F55-F346 AromaticContact CE1-CD1 3.9Å; F55-F346 HydrophobicContact CE1-CD1 3.9Å; F55-F350 HydrophobicContact CB-CD2 3.92Å; F55-F350 HydrophobicContact CB-CE2 3.8Å; F55-F350 AromaticContact CD1-CD2 3.85Å; F55-F350 HydrophobicContact CD1-CD2 3.85Å; F55-F350 HydrophobicContact CD2-CD2 4.43Å; F55-F350 HydrophobicContact CE1-CD2 4.5Å; F55-F350 AromaticContact CG-CD2 3.79Å; F55-F350 HydrophobicContact CG-CD2 3.79Å; F55-F350 HydrophobicContact CG-CE2 4.19Å; F55-L353 HydrophobicContact CD2-CD1 4.42Å; F55-L353 HydrophobicContact CE2-CD1 4.3Å
56	L	90.7	Very high	91	Very high	17 Å²	17	36.8 Å²	36.8	9%	0.089	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-52.1	-173.2	-61.1	174.8	0	0	0	112	T54 K76 C77 L95 D97 F346	T54-L56 HydrophobicContact CG2-CD2 4.1Å; T54-L56 PolarHBondContact O-N 2.82Å; L56-K76 HydrophobicContact CD1-CB 4.05Å; L56-K76 HydrophobicContact CD2-CB 3.99Å; L56-K76 HydrophobicContact CD2-CD 4.48Å; L56-C77 VanDerWaalsContact CD1-CA 3.43Å; L56-C77 HydrophobicContact CD1-CB 3.63Å; L56-L95 HydrophobicContact CB-CB 4.27Å; L56-L95 PolarHBondContact N-O 2.99Å; L56-D97 HydrophobicContact CD1-CB 4.17Å; L56-D97 HydrophobicContact CD2-CB 4.14Å; L56-D97 HydrophobicContact CG-CB 4.28Å; L56-F346 WeakPolarHBondContact O-CE1 3.37Å
57	S	89.4	Confident	91.4	Very high	33 Å²	33	33.7 Å²	33.7	23%	0.231	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	173.4	179.6	64.4	0	0	0	0	112.1	F55 L95	F55-S57 VanDerWaalsContact CE2-O 3.25Å; F55-S57 WeakPolarHBondContact CE2-O 3.45Å; F55-S57 VanDerWaalsContact CZ-C 3.48Å; S57-L95 PolarHBondContact O-N 3.23Å
58	S	91.3	Very high	91.8	Very high	13 Å²	13	32.3 Å²	32.3	9%	0.091	19%	0.192	C	C	.	.			trans	-133.9	91.1	171	173	0	0	0	0	110.2	C93 K349	S58-C93 VanDerWaalsContact CA-O 3.22Å; S58-C93 WeakPolarHBondContact CA-O 3.46Å; S58-C93 VanDerWaalsContact CB-O 3.25Å; S58-C93 WeakPolarHBondContact CB-O 3.49Å; S58-C93 PolarHBondContact OG-O 3.43Å; S58-K349 VanDerWaalsContact CB-CD 3.46Å; S58-K349 PolarHBondContact O-NZ 3.31Å; S58-K349 WeakPolarHBondContact OG-CD 3.16Å
59	P	91.4	Very high	92	Very high	31 Å²	31	35.1 Å²	35.1	20%	0.201	21%	0.205	C	C	.	.			trans	-70.3	144.6	-177.3	29	-34.5	0	0	0	111.2	V61 C93 L95	P59-V61 VanDerWaalsContact C-N 3.35Å; P59-V61 HydrophobicContact CB-CG1 4.41Å; P59-V61 HydrophobicContact CG-CG2 4.29Å; P59-V61 PolarHBondContact O-N 3.26Å; P59-C93 HydrophobicContact CG-CB 4.17Å; P59-C93 WeakPolarHBondContact CG-SG 3.37Å; P59-L95 HydrophobicContact CG-CD1 4.13Å; P59-L95 HydrophobicContact CG-CG 4.28Å
60	K	90.1	Very high	92.1	Very high	186 Å²	186	36.2 Å²	36.2	81%	0.809	21%	0.213	S	C	*	.			trans	-82.4	78.6	179.4	-64.7	-179	-176.8	175.2	0	110.3
61	V	93.2	Very high	92.4	Very high	35 Å²	35	33.2 Å²	33.2	21%	0.212	19%	0.192	C	C	.	.			trans	-126.6	147.2	-179.2	-66	0	0	0	0	110.8	P59 A66 C67 I90 C93	P59-V61 VanDerWaalsContact C-N 3.35Å; P59-V61 HydrophobicContact CB-CG1 4.41Å; P59-V61 HydrophobicContact CG-CG2 4.29Å; P59-V61 PolarHBondContact O-N 3.26Å; V61-A66 HydrophobicContact CB-CB 3.89Å; V61-A66 HydrophobicContact CG1-CB 3.97Å; V61-C67 HydrophobicContact CG2-CB 3.82Å; V61-I90 HydrophobicContact CG2-CD1 4.33Å; V61-C93 HydrophobicContact CG2-CB 3.64Å
62	G	91.7	Very high	92.5	Very high	41 Å²	41	32.8 Å²	32.8	42%	0.423	19%	0.193	S	C	.	.	S	Bend	trans	-106.9	-4.8	-174.7	0	0	0	0	0	115.5	T89 I90	G62-T89 WeakPolarHBondContact O-CA 3.42Å; G62-I90 PolarHBondContact O-N 3.32Å
63	T	92.8	Very high	92.4	Very high	65 Å²	65	40.9 Å²	40.9	40%	0.399	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-122.8	151.6	-179	66.5	0	0	0	0	111	T65 A66 C67 I90	T63-T65 VanDerWaalsContact C-N 3.31Å; T63-T65 PolarHBondContact O-N 3.05Å; T63-A66 PolarHBondContact O-N 3.36Å; T63-A66 VanDerWaalsContact OG1-CB 3.26Å; T63-A66 WeakPolarHBondContact OG1-CB 3.49Å; T63-A66 PolarHBondContact OG1-N 3.46Å; T63-C67 PolarHBondContact O-N 3.03Å; T63-I90 WeakPolarHBondContact O-CD1 3.5Å
64	K	91.4	Very high	92.2	Very high	29 Å²	29	42 Å²	42	13%	0.126	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-47.1	177.2	-60.9	174.7	-171.4	155.1	0	111.3	A66 C67 V68 M82 E87 D88 I90 Y117	K64-A66 PolarHBondContact O-N 2.78Å; K64-C67 WeakPolarHBondContact O-CB 3.33Å; K64-C67 PolarHBondContact O-N 3.34Å; K64-C67 VanDerWaalsContact O-N 3.14Å; K64-V68 PolarHBondContact O-N 3.32Å; K64-V68 VanDerWaalsContact O-N 3.11Å; K64-M82 HydrophobicContact CB-CE 4.43Å; K64-M82 HydrophobicContact CB-SD 3.89Å; K64-M82 HydrophobicContact CG-SD 3.97Å; K64-M82 WeakPolarHBondContact O-CE 2.99Å; K64-E87 VanDerWaalsContact CE-O 3.29Å; K64-E87 WeakPolarHBondContact CE-O 3.36Å; K64-E87 PolarHBondContact NZ-O 2.69Å; K64-D88 IonicContact NZ-OD1 3.85Å; K64-D88 PolarHBondContact NZ-OD1 2.81Å; K64-I90 HydrophobicContact CG-CG2 3.74Å; K64-Y117 HydrophobicContact CB-CE2 4.44Å
65	T	92.1	Very high	92.1	Very high	65 Å²	65	45 Å²	45	40%	0.399	25%	0.254	S	S	.	.	H	α-helix	trans	-57.1	-48.5	-179.8	-54.5	0	0	0	0	112.3	L31 T63 C67 V68 E69	L31-T65 HydrophobicContact CD1-CG2 3.67Å; L31-T65 HydrophobicContact CD2-CG2 4.1Å; L31-T65 HydrophobicContact CG-CG2 4.4Å; T63-T65 VanDerWaalsContact C-N 3.31Å; T63-T65 PolarHBondContact O-N 3.05Å; T65-C67 PolarHBondContact O-N 3.14Å; T65-V68 PolarHBondContact O-N 3.4Å; T65-E69 HydrophobicContact CG2-CG 4.46Å; T65-E69 WeakPolarHBondContact O-CG 3.23Å; T65-E69 PolarHBondContact O-N 2.83Å
66	A	93.7	Very high	92	Very high	23 Å²	23	47.8 Å²	47.8	19%	0.19	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-28.6	-179.8	0	0	0	0	0	112.8	V61 T63 K64 S70	V61-A66 HydrophobicContact CB-CB 3.89Å; V61-A66 HydrophobicContact CG1-CB 3.97Å; T63-A66 PolarHBondContact O-N 3.36Å; T63-A66 VanDerWaalsContact OG1-CB 3.26Å; T63-A66 WeakPolarHBondContact OG1-CB 3.49Å; T63-A66 PolarHBondContact OG1-N 3.46Å; K64-A66 PolarHBondContact O-N 2.78Å; A66-S70 WeakPolarHBondContact O-CB 3.19Å; A66-S70 PolarHBondContact O-N 2.76Å; A66-S70 PolarHBondContact O-OG 2.89Å
67	C	94.9	Very high	92.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70	-45	174	179.6	0	0	0	0	111.7	V61 T63 K64 T65 S70 C71 M82 I90 C93	V61-C67 HydrophobicContact CG2-CB 3.82Å; T63-C67 PolarHBondContact O-N 3.03Å; K64-C67 WeakPolarHBondContact O-CB 3.33Å; K64-C67 PolarHBondContact O-N 3.34Å; K64-C67 VanDerWaalsContact O-N 3.14Å; T65-C67 PolarHBondContact O-N 3.14Å; C67-S70 WeakPolarHBondContact O-CB 3.49Å; C67-S70 PolarHBondContact O-N 3.31Å; C67-C71 PolarHBondContact O-N 3.32Å; C67-M82 HydrophobicContact CB-CE 3.67Å; C67-M82 HydrophobicContact CB-CG 4.37Å; C67-M82 HydrophobicContact CB-SD 4.08Å; C67-M82 VanDerWaalsContact SG-CE 3.57Å; C67-I90 HydrophobicContact CB-CD1 3.69Å; C67-C93 VanDerWaalsContact CA-SG 3.56Å; C67-C93 HydrophobicContact CB-CB 3.72Å; C67-C93 WeakPolarHBondContact CB-SG 3.37Å; C67-C93 WeakPolarHBondContact SG-CB 3.23Å; C67-C93 CovalentContact SG-SG 2.01Å; C67-C93 PolarHBondContact SG-SG 3.47Å
68	V	94.4	Very high	92.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-40.6	175.2	-176.5	0	0	0	0	111.5	L31 F34 K64 T65 S70 C71 C72 M82 Y117	L31-V68 HydrophobicContact CD2-CB 3.8Å; L31-V68 HydrophobicContact CD2-CG1 3.85Å; L31-V68 HydrophobicContact CD2-CG2 4.33Å; F34-V68 HydrophobicContact CB-CG1 4.09Å; F34-V68 HydrophobicContact CD1-CG1 4.36Å; F34-V68 HydrophobicContact CD2-CG1 3.76Å; F34-V68 HydrophobicContact CE2-CG1 4.32Å; F34-V68 HydrophobicContact CG-CG1 3.8Å; K64-V68 PolarHBondContact O-N 3.32Å; K64-V68 VanDerWaalsContact O-N 3.11Å; T65-V68 PolarHBondContact O-N 3.4Å; V68-S70 PolarHBondContact O-N 3.21Å; V68-C71 WeakPolarHBondContact O-CA 3.33Å; V68-C71 VanDerWaalsContact O-CB 3.25Å; V68-C71 WeakPolarHBondContact O-CB 3.26Å; V68-C71 PolarHBondContact O-N 2.88Å; V68-C71 VanDerWaalsContact O-N 3.07Å; V68-C72 PolarHBondContact O-N 3.25Å; V68-M82 HydrophobicContact CG2-CE 3.65Å; V68-Y117 HydrophobicContact CG2-CD1 3.91Å; V68-Y117 HydrophobicContact CG2-CD2 3.96Å; V68-Y117 HydrophobicContact CG2-CE1 4.45Å; V68-Y117 HydrophobicContact CG2-CE2 4.49Å; V68-Y117 HydrophobicContact CG2-CG 3.63Å
69	E	93.8	Very high	92.7	Very high	60 Å²	60	45.5 Å²	45.5	28%	0.28	25%	0.251	S	S	.	.	H	α-helix	trans	-60.5	-35.5	173.8	-73.9	175	-177.5	0	0	112.5	A27 T65 C72 K73	A27-E69 WeakPolarHBondContact CB-OE1 3.38Å; T65-E69 HydrophobicContact CG2-CG 4.46Å; T65-E69 WeakPolarHBondContact O-CG 3.23Å; T65-E69 PolarHBondContact O-N 2.83Å; E69-C72 PolarHBondContact O-N 2.78Å; E69-K73 WeakPolarHBondContact O-CG 3.34Å; E69-K73 PolarHBondContact O-N 3.45Å
70	S	94.3	Very high	92.9	Very high	22 Å²	22	44 Å²	44	15%	0.154	24%	0.241	C	C	.	.	H	α-helix	trans	-67.2	-38.7	174.2	-59	0	0	0	0	111.3	A66 C67 V68 K73	A66-S70 WeakPolarHBondContact O-CB 3.19Å; A66-S70 PolarHBondContact O-N 2.76Å; A66-S70 PolarHBondContact O-OG 2.89Å; C67-S70 WeakPolarHBondContact O-CB 3.49Å; C67-S70 PolarHBondContact O-N 3.31Å; V68-S70 PolarHBondContact O-N 3.21Å; S70-K73 PolarHBondContact O-N 2.84Å
71	C	95.1	Very high	93.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-47	171.9	-169.8	0	0	0	0	111.5	F34 C67 V68 K73 D74 C77 A80 L95	F34-C71 HydrophobicContact CZ-CB 4.34Å; F34-C71 VanDerWaalsContact CZ-SG 3.57Å; C67-C71 PolarHBondContact O-N 3.32Å; V68-C71 WeakPolarHBondContact O-CA 3.33Å; V68-C71 VanDerWaalsContact O-CB 3.25Å; V68-C71 WeakPolarHBondContact O-CB 3.26Å; V68-C71 PolarHBondContact O-N 2.88Å; V68-C71 VanDerWaalsContact O-N 3.07Å; C71-K73 PolarHBondContact O-N 2.95Å; C71-D74 PolarHBondContact O-N 3.3Å; C71-C77 WeakPolarHBondContact CA-SG 3.42Å; C71-C77 HydrophobicContact CB-CB 4Å; C71-C77 WeakPolarHBondContact CB-SG 3.04Å; C71-C77 WeakPolarHBondContact O-CB 3.38Å; C71-C77 VanDerWaalsContact SG-C 3.57Å; C71-C77 WeakPolarHBondContact SG-CB 3.38Å; C71-C77 CovalentContact SG-SG 2.03Å; C71-C77 PolarHBondContact SG-SG 2.83Å; C71-A80 HydrophobicContact CB-CB 4.22Å; C71-L95 HydrophobicContact CB-CD2 3.81Å
72	C	92.1	Very high	93.1	Very high	52 Å²	52	33.5 Å²	33.5	35%	0.351	19%	0.193	S	C	.	.	H	α-helix	trans	-60.8	-20.7	178.6	-73.4	0	0	0	0	115.1	C30 V68 E69	C30-C72 HydrophobicContact CB-CB 3.84Å; C30-C72 WeakPolarHBondContact CB-SG 3.25Å; C30-C72 WeakPolarHBondContact SG-CB 3.4Å; C30-C72 CovalentContact SG-SG 2.02Å; C30-C72 PolarHBondContact SG-SG 3.41Å; V68-C72 PolarHBondContact O-N 3.25Å; E69-C72 PolarHBondContact O-N 2.78Å
73	K	90.3	Very high	93	Very high	171 Å²	171	33.4 Å²	33.4	74%	0.743	18%	0.181	S	C	*	.	H	α-helix	trans	-80.1	-22.3	175.9	-69.5	170.9	-174	173.9	0	112.4	E69 S70 C71	E69-K73 WeakPolarHBondContact O-CG 3.34Å; E69-K73 PolarHBondContact O-N 3.45Å; S70-K73 PolarHBondContact O-N 2.84Å; C71-K73 PolarHBondContact O-N 2.95Å
74	D	89.9	Confident	92.9	Very high	24 Å²	24	33.4 Å²	33.4	13%	0.128	18%	0.175	C	C	.	.	S	Bend	trans	-97.6	118.8	175.9	-162.6	-53	0	0	0	109.8	C71 K76 C77 R324	C71-D74 PolarHBondContact O-N 3.3Å; D74-K76 PolarHBondContact O-N 2.03Å; D74-K76 PolarHBondContact OD1-N 3.15Å; D74-C77 HydrophobicContact CB-CB 3.95Å; D74-C77 PolarHBondContact O-N 3.05Å; D74-C77 VanDerWaalsContact O-N 3.09Å; D74-R324 IonicContact OD1-CZ 2.78Å; D74-R324 IonicContact OD1-NH1 3.36Å; D74-R324 PolarHBondContact OD1-NH1 3.38Å; D74-R324 VanDerWaalsContact OD1-NH1 3.14Å; D74-R324 IonicContact OD1-NH2 3.87Å; D74-R324 IonicContact OD2-CZ 2.82Å; D74-R324 IonicContact OD2-NH1 3.43Å; D74-R324 PolarHBondContact OD2-NH1 2.91Å; D74-R324 IonicContact OD2-NH2 2.7Å; D74-R324 PolarHBondContact OD2-NH2 3.04Å
75	P	89.6	Confident	92.7	Very high	76 Å²	76	38.6 Å²	38.6	49%	0.494	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.6	-177.9	31.4	-43.5	0	0	0	113.9	P311	P75-P311 HydrophobicContact CB-CB 3.6Å; P75-P311 HydrophobicContact CG-CB 3.39Å; P75-P311 WeakPolarHBondContact CG-O 3.37Å
76	K	90.8	Very high	92.1	Very high	60 Å²	60	38.2 Å²	38.2	26%	0.261	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-14.8	-179.7	-64.6	-165.3	176.9	-169.4	0	112.2	L56 D74 N78 D97 D312	L56-K76 HydrophobicContact CD1-CB 4.05Å; L56-K76 HydrophobicContact CD2-CB 3.99Å; L56-K76 HydrophobicContact CD2-CD 4.48Å; D74-K76 PolarHBondContact O-N 2.03Å; D74-K76 PolarHBondContact OD1-N 3.15Å; K76-N78 PolarHBondContact O-N 3.37Å; K76-D97 HydrophobicContact CB-CB 4.28Å; K76-D97 VanDerWaalsContact O-CB 3.31Å; K76-D97 WeakPolarHBondContact O-CB 3.44Å; K76-D97 VanDerWaalsContact O-CG 3.29Å; K76-D312 WeakPolarHBondContact CE-OD1 3.01Å
77	C	94.8	Very high	91.2	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.061	23%	0.233	C	C	.	.			trans	-74.9	120.6	-176	-172.9	0	0	0	0	111.4	L56 C71 D74	L56-C77 VanDerWaalsContact CD1-CA 3.43Å; L56-C77 HydrophobicContact CD1-CB 3.63Å; C71-C77 WeakPolarHBondContact CA-SG 3.42Å; C71-C77 HydrophobicContact CB-CB 4Å; C71-C77 WeakPolarHBondContact CB-SG 3.04Å; C71-C77 WeakPolarHBondContact O-CB 3.38Å; C71-C77 VanDerWaalsContact SG-C 3.57Å; C71-C77 WeakPolarHBondContact SG-CB 3.38Å; C71-C77 CovalentContact SG-SG 2.03Å; C71-C77 PolarHBondContact SG-SG 2.83Å; D74-C77 HydrophobicContact CB-CB 3.95Å; D74-C77 PolarHBondContact O-N 3.05Å; D74-C77 VanDerWaalsContact O-N 3.09Å
78	N	94.4	Very high	90.5	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.037	26%	0.262	C	S	.	.			trans	-126	-11	176.6	55	31.9	0	0	0	112.6	K76 F96 D97 C98 L119 L122	K76-N78 PolarHBondContact O-N 3.37Å; N78-F96 PolarHBondContact N-O 2.58Å; N78-F96 VanDerWaalsContact N-O 3.13Å; N78-F96 PolarHBondContact OD1-O 2.75Å; N78-D97 PolarHBondContact ND2-OD1 2.93Å; N78-D97 WeakPolarHBondContact OD1-CA 3.41Å; N78-C98 PolarHBondContact ND2-N 2.96Å; N78-C98 WeakPolarHBondContact OD1-CB 3.34Å; N78-C98 PolarHBondContact OD1-N 2.81Å; N78-L119 HydrophobicContact CB-CB 4.2Å; N78-L119 HydrophobicContact CB-CD2 4.28Å; N78-L119 PolarHBondContact O-N 2.98Å; N78-L122 HydrophobicContact CB-CD2 4.08Å
79	V	95.2	Very high	90.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.2	173.3	175.2	0	0	0	0	111.4	F96 C98 F108 Y117 I118 L122	V79-F96 HydrophobicContact CB-CB 4.35Å; V79-F96 PolarHBondContact N-O 2.78Å; V79-F96 PolarHBondContact O-N 2.98Å; V79-C98 HydrophobicContact CG2-CB 4.06Å; V79-C98 WeakPolarHBondContact CG2-SG 3.25Å; V79-F108 HydrophobicContact CG1-CZ 4.09Å; V79-Y117 WeakPolarHBondContact CA-O 3.5Å; V79-I118 HydrophobicContact CG2-CG1 4.11Å; V79-I118 HydrophobicContact CG2-CG2 4.22Å; V79-L122 HydrophobicContact CG2-CD2 4.02Å
80	A	95.7	Very high	90.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.4	171.6	0	0	0	0	0	109.9	C71 M82 Y94 L95 S116 Y117	C71-A80 HydrophobicContact CB-CB 4.22Å; A80-M82 HydrophobicContact CB-CE 4.19Å; A80-Y94 CarbonylContact C-O 3.51Å; A80-Y94 WeakPolarHBondContact CA-O 3.36Å; A80-L95 HydrophobicContact CB-CD2 3.92Å; A80-S116 CarbonylContact O-C 3.37Å; A80-S116 VanDerWaalsContact O-CA 3.25Å; A80-S116 WeakPolarHBondContact O-CA 3.23Å; A80-Y117 PolarHBondContact N-O 3.31Å; A80-Y117 PolarHBondContact O-N 2.78Å
81	L	94.3	Very high	89.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.8	178.7	176.4	70.7	0	0	0	110.4	M42 L43 Y94 F96 Y114 L353	M42-L81 HydrophobicContact CE-CD2 4.24Å; M42-L81 HydrophobicContact CG-CD1 4.49Å; M42-L81 HydrophobicContact CG-CD2 4.2Å; L43-L81 HydrophobicContact CB-CD2 4.03Å; L81-Y94 HydrophobicContact CD2-CD2 4.4Å; L81-Y94 PolarHBondContact N-O 3.06Å; L81-Y94 PolarHBondContact O-N 2.02Å; L81-F96 HydrophobicContact CB-CD2 4.44Å; L81-F96 HydrophobicContact CB-CE2 4.25Å; L81-F96 HydrophobicContact CD2-CE2 4.17Å; L81-Y114 HydrophobicContact CD1-CD1 4.19Å; L81-Y114 HydrophobicContact CG-CD1 4.42Å; L81-L353 HydrophobicContact CD2-CD2 4.29Å
82	M	93	Very high	89.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.8	-174.6	-51.9	175.3	-160	0	0	111.5	K64 C67 V68 A80 I90 T92 Y114 S115 Y117	K64-M82 HydrophobicContact CB-CE 4.43Å; K64-M82 HydrophobicContact CB-SD 3.89Å; K64-M82 HydrophobicContact CG-SD 3.97Å; K64-M82 WeakPolarHBondContact O-CE 2.99Å; C67-M82 HydrophobicContact CB-CE 3.67Å; C67-M82 HydrophobicContact CB-CG 4.37Å; C67-M82 HydrophobicContact CB-SD 4.08Å; C67-M82 VanDerWaalsContact SG-CE 3.57Å; V68-M82 HydrophobicContact CG2-CE 3.65Å; A80-M82 HydrophobicContact CB-CE 4.19Å; M82-I90 HydrophobicContact CB-CB 4.37Å; M82-I90 HydrophobicContact CB-CD1 4.33Å; M82-I90 HydrophobicContact CB-CG2 3.93Å; M82-I90 HydrophobicContact CG-CD1 4.07Å; M82-I90 HydrophobicContact CG-CG2 4.43Å; M82-I90 HydrophobicContact SD-CD1 4.02Å; M82-I90 HydrophobicContact SD-CG2 4.01Å; M82-T92 WeakPolarHBondContact CA-O 3.47Å; M82-Y114 WeakPolarHBondContact O-CA 3.47Å; M82-Y114 WeakPolarHBondContact O-CD1 3.39Å; M82-S115 PolarHBondContact N-O 2.02Å; M82-S115 PolarHBondContact O-N 2.83Å; M82-Y117 HydrophobicContact CE-CD2 3.44Å; M82-Y117 VanDerWaalsContact CE-CD2 3.44Å; M82-Y117 HydrophobicContact CE-CE2 3.94Å; M82-Y117 HydrophobicContact CE-CG 4.26Å; M82-Y117 HydrophobicContact SD-CD2 4.32Å; M82-Y117 HydrophobicContact SD-CE2 4.41Å
83	E	91.6	Very high	89.8	Confident	39 Å²	39	54.6 Å²	54.6	18%	0.182	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.3	167.1	-170.5	-172	178.5	0	0	108.4	I90 K91 T92 Y114	E83-I90 CarbonylContact O-C 3.55Å; E83-I90 WeakPolarHBondContact O-CA 3.48Å; E83-I90 WeakPolarHBondContact O-CB 3.43Å; E83-K91 HydrophobicContact CB-CB 4.42Å; E83-K91 HydrophobicContact CG-CB 4.48Å; E83-K91 PolarHBondContact O-N 2.8Å; E83-K91 IonicContact OE1-NZ 2.76Å; E83-K91 PolarHBondContact OE1-NZ 2.67Å; E83-K91 WeakPolarHBondContact OE2-CD 3.35Å; E83-K91 WeakPolarHBondContact OE2-CE 3.41Å; E83-K91 IonicContact OE2-NZ 2.89Å; E83-K91 PolarHBondContact OE2-NZ 3.02Å; E83-T92 WeakPolarHBondContact CB-OG1 3.02Å; E83-T92 PolarHBondContact N-O 2.96Å; E83-T92 PolarHBondContact OE2-OG1 2.64Å; E83-Y114 HydrophobicContact CB-CD1 4.3Å; E83-Y114 HydrophobicContact CB-CE1 3.89Å; E83-Y114 HydrophobicContact CG-CE1 4.11Å
84	K	89.1	Confident	89.9	Confident	64 Å²	64	47 Å²	47	28%	0.278	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	140.8	-178.7	-66.6	-171.1	169.6	-168.7	0	111.4	E39 G113 S115	E39-K84 IonicContact OE1-NZ 2.96Å; E39-K84 PolarHBondContact OE1-NZ 2.64Å; E39-K84 WeakPolarHBondContact OE2-CE 3.47Å; E39-K84 IonicContact OE2-NZ 3.03Å; E39-K84 PolarHBondContact OE2-NZ 3.3Å; K84-G113 WeakPolarHBondContact CB-O 3.45Å; K84-G113 PolarHBondContact N-O 3.28Å; K84-S115 WeakPolarHBondContact CE-OG 3.37Å
85	Q	87.1	Confident	90.2	Very high	139 Å²	139	46 Å²	46	65%	0.65	24%	0.238	S	C	*	.	S	Bend	trans	-113	-47.5	169.1	-171	174.2	14	0	0	111.4	T89 K91	Q85-T89 PolarHBondContact N-O 2.97Å; Q85-K91 HydrophobicContact CB-CB 4.26Å
86	A	81	Confident	90.4	Very high	56 Å²	56	42.3 Å²	42.3	46%	0.463	21%	0.214	S	C	.	.	S	Bend	trans	-143.3	-171	171.3	0	0	0	0	0	109.7	D88 T89	A86-D88 VanDerWaalsContact C-N 3.27Å; A86-D88 PolarHBondContact O-N 3.03Å; A86-D88 VanDerWaalsContact O-N 3.15Å; A86-T89 VanDerWaalsContact CB-OG1 3.29Å; A86-T89 WeakPolarHBondContact CB-OG1 3.19Å; A86-T89 PolarHBondContact N-O 3.49Å; A86-T89 PolarHBondContact N-OG1 3.15Å; A86-T89 PolarHBondContact O-N 3.04Å
87	E	74.9	Confident	90.6	Very high	175 Å²	175	40.6 Å²	40.6	82%	0.818	21%	0.208	S	C	*	.	S	Bend	trans	-54.6	-39.2	-170.6	-156.5	157.3	-163.1	0	0	113.2	K64	K64-E87 VanDerWaalsContact CE-O 3.29Å; K64-E87 WeakPolarHBondContact CE-O 3.36Å; K64-E87 PolarHBondContact NZ-O 2.69Å
88	D	78.6	Confident	90.6	Very high	112 Å²	112	40.1 Å²	40.1	60%	0.599	21%	0.205	S	C	*	.	S	Bend	trans	-126.8	7.8	177.5	-78.1	-32.5	0	0	0	116	K64 A86	K64-D88 IonicContact NZ-OD1 3.85Å; K64-D88 PolarHBondContact NZ-OD1 2.81Å; A86-D88 VanDerWaalsContact C-N 3.27Å; A86-D88 PolarHBondContact O-N 3.03Å; A86-D88 VanDerWaalsContact O-N 3.15Å
89	T	89	Confident	90.5	Very high	59 Å²	59	42.2 Å²	42.2	36%	0.362	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-110.2	141.1	176.3	57.2	0	0	0	0	110.9	G62 Q85 A86	G62-T89 WeakPolarHBondContact O-CA 3.42Å; Q85-T89 PolarHBondContact N-O 2.97Å; A86-T89 VanDerWaalsContact CB-OG1 3.29Å; A86-T89 WeakPolarHBondContact CB-OG1 3.19Å; A86-T89 PolarHBondContact N-O 3.49Å; A86-T89 PolarHBondContact N-OG1 3.15Å; A86-T89 PolarHBondContact O-N 3.04Å
90	I	92	Very high	90.3	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.9	179.5	64.2	171.8	0	0	0	109.3	V61 G62 T63 K64 C67 M82 E83 C93	V61-I90 HydrophobicContact CG2-CD1 4.33Å; G62-I90 PolarHBondContact O-N 3.32Å; T63-I90 WeakPolarHBondContact O-CD1 3.5Å; K64-I90 HydrophobicContact CG-CG2 3.74Å; C67-I90 HydrophobicContact CB-CD1 3.69Å; M82-I90 HydrophobicContact CB-CB 4.37Å; M82-I90 HydrophobicContact CB-CD1 4.33Å; M82-I90 HydrophobicContact CB-CG2 3.93Å; M82-I90 HydrophobicContact CG-CD1 4.07Å; M82-I90 HydrophobicContact CG-CG2 4.43Å; M82-I90 HydrophobicContact SD-CD1 4.02Å; M82-I90 HydrophobicContact SD-CG2 4.01Å; E83-I90 CarbonylContact O-C 3.55Å; E83-I90 WeakPolarHBondContact O-CA 3.48Å; E83-I90 WeakPolarHBondContact O-CB 3.43Å; I90-C93 HydrophobicContact CD1-CB 3.94Å
91	K	90.4	Very high	89.9	Confident	121 Å²	121	46 Å²	46	53%	0.526	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-41.4	176.5	-177.7	176.7	152.3	-138	0	111	E83 Q85	E83-K91 HydrophobicContact CB-CB 4.42Å; E83-K91 HydrophobicContact CG-CB 4.48Å; E83-K91 PolarHBondContact O-N 2.8Å; E83-K91 IonicContact OE1-NZ 2.76Å; E83-K91 PolarHBondContact OE1-NZ 2.67Å; E83-K91 WeakPolarHBondContact OE2-CD 3.35Å; E83-K91 WeakPolarHBondContact OE2-CE 3.41Å; E83-K91 IonicContact OE2-NZ 2.89Å; E83-K91 PolarHBondContact OE2-NZ 3.02Å; Q85-K91 HydrophobicContact CB-CB 4.26Å
92	T	90.5	Very high	89.4	Confident	31 Å²	31	48.8 Å²	48.8	19%	0.19	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.3	180	56.9	0	0	0	0	111.4	M82 E83 Y94	M82-T92 WeakPolarHBondContact CA-O 3.47Å; E83-T92 WeakPolarHBondContact CB-OG1 3.02Å; E83-T92 PolarHBondContact N-O 2.96Å; E83-T92 PolarHBondContact OE2-OG1 2.64Å; T92-Y94 WeakPolarHBondContact OG1-CE2 2.93Å; T92-Y94 PolarHBondContact OG1-OH 2.85Å
93	C	93.4	Very high	89	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.3	173.9	172.4	0	0	0	0	109.3	S58 P59 V61 C67 I90	S58-C93 VanDerWaalsContact CA-O 3.22Å; S58-C93 WeakPolarHBondContact CA-O 3.46Å; S58-C93 VanDerWaalsContact CB-O 3.25Å; S58-C93 WeakPolarHBondContact CB-O 3.49Å; S58-C93 PolarHBondContact OG-O 3.43Å; P59-C93 HydrophobicContact CG-CB 4.17Å; P59-C93 WeakPolarHBondContact CG-SG 3.37Å; V61-C93 HydrophobicContact CG2-CB 3.64Å; C67-C93 VanDerWaalsContact CA-SG 3.56Å; C67-C93 HydrophobicContact CB-CB 3.72Å; C67-C93 WeakPolarHBondContact CB-SG 3.37Å; C67-C93 WeakPolarHBondContact SG-CB 3.23Å; C67-C93 CovalentContact SG-SG 2.01Å; C67-C93 PolarHBondContact SG-SG 3.47Å; I90-C93 HydrophobicContact CD1-CB 3.94Å
94	Y	93.6	Very high	88.8	Confident	10 Å²	10	52.4 Å²	52.4	4%	0.039	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.9	177.3	-54.6	-80.4	0	0	0	109.6	F55 A80 L81 T92 K349 L353	F55-Y94 AromaticContact CE2-CD1 3.92Å; F55-Y94 HydrophobicContact CE2-CD1 3.92Å; F55-Y94 HydrophobicContact CZ-CD1 4.36Å; A80-Y94 CarbonylContact C-O 3.51Å; A80-Y94 WeakPolarHBondContact CA-O 3.36Å; L81-Y94 HydrophobicContact CD2-CD2 4.4Å; L81-Y94 PolarHBondContact N-O 3.06Å; L81-Y94 PolarHBondContact O-N 2.02Å; T92-Y94 WeakPolarHBondContact OG1-CE2 2.93Å; T92-Y94 PolarHBondContact OG1-OH 2.85Å; Y94-K349 HydrophobicContact CE1-CB 4.47Å; Y94-L353 HydrophobicContact CD1-CD1 3.6Å; Y94-L353 HydrophobicContact CD1-CD2 4.22Å; Y94-L353 HydrophobicContact CD1-CG 4.11Å; Y94-L353 HydrophobicContact CD2-CD2 3.86Å; Y94-L353 HydrophobicContact CE1-CD1 3.85Å; Y94-L353 HydrophobicContact CE1-CD2 4.1Å; Y94-L353 HydrophobicContact CE1-CG 3.9Å; Y94-L353 HydrophobicContact CE2-CD2 3.72Å; Y94-L353 HydrophobicContact CE2-CG 4.42Å; Y94-L353 HydrophobicContact CG-CD1 4.01Å; Y94-L353 HydrophobicContact CG-CD2 4.1Å; Y94-L353 HydrophobicContact CG-CG 4.46Å
95	L	94.6	Very high	88.9	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.9	-177.9	-56.9	-172.1	0	0	0	109.6	L56 S57 P59 C71 A80	L56-L95 HydrophobicContact CB-CB 4.27Å; L56-L95 PolarHBondContact N-O 2.99Å; S57-L95 PolarHBondContact O-N 3.23Å; P59-L95 HydrophobicContact CG-CD1 4.13Å; P59-L95 HydrophobicContact CG-CG 4.28Å; C71-L95 HydrophobicContact CB-CD2 3.81Å; A80-L95 HydrophobicContact CB-CD2 3.92Å
96	F	95	Very high	89	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.7	-177.9	-69.6	-91.4	0	0	0	111.5	L43 V45 T54 F55 N78 V79 L81 L353	L43-F96 HydrophobicContact CD2-CB 4.44Å; L43-F96 HydrophobicContact CD2-CD1 3.66Å; L43-F96 HydrophobicContact CD2-CD2 3.87Å; L43-F96 HydrophobicContact CD2-CE1 3.72Å; L43-F96 HydrophobicContact CD2-CE2 3.92Å; L43-F96 HydrophobicContact CD2-CG 3.73Å; L43-F96 HydrophobicContact CD2-CZ 3.84Å; V45-F96 HydrophobicContact CG1-CE1 4.35Å; V45-F96 HydrophobicContact CG2-CE1 4.32Å; V45-F96 HydrophobicContact CG2-CZ 3.94Å; T54-F96 WeakPolarHBondContact O-CA 3Å; F55-F96 HydrophobicContact CB-CD1 4.24Å; F55-F96 HydrophobicContact CB-CE1 3.91Å; F55-F96 HydrophobicContact CD2-CD1 4.34Å; F55-F96 AromaticContact CD2-CE1 3.82Å; F55-F96 HydrophobicContact CD2-CE1 3.82Å; F55-F96 HydrophobicContact CD2-CE2 4.28Å; F55-F96 AromaticContact CD2-CZ 3.79Å; F55-F96 HydrophobicContact CD2-CZ 3.79Å; F55-F96 HydrophobicContact CG-CE1 4.34Å; N78-F96 PolarHBondContact N-O 2.58Å; N78-F96 VanDerWaalsContact N-O 3.13Å; N78-F96 PolarHBondContact OD1-O 2.75Å; V79-F96 HydrophobicContact CB-CB 4.35Å; V79-F96 PolarHBondContact N-O 2.78Å; V79-F96 PolarHBondContact O-N 2.98Å; L81-F96 HydrophobicContact CB-CD2 4.44Å; L81-F96 HydrophobicContact CB-CE2 4.25Å; L81-F96 HydrophobicContact CD2-CE2 4.17Å; F96-L353 HydrophobicContact CZ-CD1 3.86Å
97	D	94.6	Very high	89.2	Confident	23 Å²	23	42.9 Å²	42.9	12%	0.123	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.3	157.8	-173.4	-2.2	0	0	0	108.2	A53 T54 L56 K76 N78 L99	A53-D97 CarbonylContact C-O 3.57Å; A53-D97 WeakPolarHBondContact CA-O 3.49Å; A53-D97 WeakPolarHBondContact CB-O 3.1Å; T54-D97 PolarHBondContact N-O 3.17Å; T54-D97 PolarHBondContact O-N 3.28Å; L56-D97 HydrophobicContact CD1-CB 4.17Å; L56-D97 HydrophobicContact CD2-CB 4.14Å; L56-D97 HydrophobicContact CG-CB 4.28Å; K76-D97 HydrophobicContact CB-CB 4.28Å; K76-D97 VanDerWaalsContact O-CB 3.31Å; K76-D97 WeakPolarHBondContact O-CB 3.44Å; K76-D97 VanDerWaalsContact O-CG 3.29Å; N78-D97 PolarHBondContact ND2-OD1 2.93Å; N78-D97 WeakPolarHBondContact OD1-CA 3.41Å; D97-L99 VanDerWaalsContact C-N 3.35Å; D97-L99 PolarHBondContact OD1-N 3.49Å
98	C	94.3	Very high	89.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.			trans	-95.2	15.2	179.8	-69.9	0	0	0	0	113.3	N78 V79 Y104 A105 C106 L122	N78-C98 PolarHBondContact ND2-N 2.96Å; N78-C98 WeakPolarHBondContact OD1-CB 3.34Å; N78-C98 PolarHBondContact OD1-N 2.81Å; V79-C98 HydrophobicContact CG2-CB 4.06Å; V79-C98 WeakPolarHBondContact CG2-SG 3.25Å; C98-Y104 HydrophobicContact CB-CD2 4.27Å; C98-Y104 HydrophobicContact CB-CE2 3.99Å; C98-Y104 WeakPolarHBondContact O-CA 3.39Å; C98-A105 PolarHBondContact O-N 3.3Å; C98-C106 WeakPolarHBondContact CA-SG 3.49Å; C98-C106 HydrophobicContact CB-CB 3.51Å; C98-C106 WeakPolarHBondContact CB-SG 3.41Å; C98-C106 WeakPolarHBondContact SG-CB 3.25Å; C98-C106 CovalentContact SG-SG 2Å; C98-C106 PolarHBondContact SG-SG 3.5Å; C98-L122 HydrophobicContact CB-CD2 4.12Å
99	L	91.6	Very high	90	Very high	50 Å²	50	30.3 Å²	30.3	26%	0.262	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.8	177.3	-69.1	173.7	0	0	0	110.7	D97 K103 L122 Y126	D97-L99 VanDerWaalsContact C-N 3.35Å; D97-L99 PolarHBondContact OD1-N 3.49Å; L99-K103 WeakPolarHBondContact CA-O 3.2Å; L99-L122 HydrophobicContact CD1-CD1 3.66Å; L99-L122 HydrophobicContact CD2-CD1 3.44Å; L99-L122 VanDerWaalsContact CD2-CD1 3.44Å; L99-L122 HydrophobicContact CG-CD1 3.47Å; L99-L122 VanDerWaalsContact CG-CD1 3.47Å; L99-Y126 HydrophobicContact CD2-CD2 4.14Å; L99-Y126 HydrophobicContact CD2-CE2 3.68Å
100	Y	91.1	Very high	89.8	Confident	31 Å²	31	32.8 Å²	32.8	12%	0.122	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.3	167	177.7	-96	0	0	0	108.5	K102 K103 I279 E283	Y100-K102 VanDerWaalsContact C-N 3.26Å; Y100-K102 PolarHBondContact O-N 3.05Å; Y100-K103 PolarHBondContact N-O 3.42Å; Y100-K103 WeakPolarHBondContact O-CA 3.22Å; Y100-K103 WeakPolarHBondContact O-CB 3.04Å; Y100-K103 PolarHBondContact O-N 2.95Å; Y100-I279 HydrophobicContact CD1-CD1 3.39Å; Y100-I279 HydrophobicContact CD1-CG1 4.23Å; Y100-I279 HydrophobicContact CD2-CD1 3.83Å; Y100-I279 HydrophobicContact CD2-CG1 4.32Å; Y100-I279 HydrophobicContact CE1-CB 4.12Å; Y100-I279 HydrophobicContact CE1-CD1 3.44Å; Y100-I279 VanDerWaalsContact CE1-CD1 3.44Å; Y100-I279 HydrophobicContact CE1-CG1 3.78Å; Y100-I279 HydrophobicContact CE2-CD1 3.87Å; Y100-I279 HydrophobicContact CE2-CG1 3.88Å; Y100-I279 HydrophobicContact CG-CD1 3.58Å; Y100-I279 HydrophobicContact CG-CG1 4.47Å; Y100-I279 PolarHBondContact OH-N 2.78Å; Y100-I279 VanDerWaalsContact OH-N 3.13Å; Y100-E283 WeakPolarHBondContact CE1-OE2 3.29Å; Y100-E283 PolarHBondContact OH-OE2 3.42Å
101	N	88.1	Confident	89.4	Confident	50 Å²	50	34.7 Å²	34.7	27%	0.267	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	46.1	-177.4	-65.3	-18.7	0	0	0	112.9	K103 S147 D148	N101-K103 PolarHBondContact O-N 2.93Å; N101-S147 CarbonylContact O-C 3.55Å; N101-S147 WeakPolarHBondContact O-CA 3.11Å; N101-S147 VanDerWaalsContact O-CB 3.28Å; N101-S147 WeakPolarHBondContact O-CB 3.44Å; N101-D148 HydrophobicContact CB-CB 4.03Å; N101-D148 PolarHBondContact O-N 3.11Å
102	K	83.8	Confident	89.3	Confident	58 Å²	58	33.4 Å²	33.4	25%	0.252	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	14.3	-174.1	-71	-166.6	174.7	-176.8	0	116.5	Y100 Y126 D148 T223 N225	Y100-K102 VanDerWaalsContact C-N 3.26Å; Y100-K102 PolarHBondContact O-N 3.05Å; K102-Y126 WeakPolarHBondContact O-CE1 3.15Å; K102-Y126 VanDerWaalsContact O-CZ 3.27Å; K102-Y126 PolarHBondContact O-OH 3.15Å; K102-D148 WeakPolarHBondContact CD-OD1 3.35Å; K102-T223 PolarHBondContact NZ-O 2.89Å; K102-T223 PolarHBondContact NZ-OG1 3.34Å; K102-N225 WeakPolarHBondContact CE-ND2 3.29Å; K102-N225 PolarHBondContact NZ-ND2 3.34Å
103	K	84.8	Confident	89.2	Confident	80 Å²	80	33.3 Å²	33.3	35%	0.348	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.7	166.1	-167.9	172.5	-179.2	177.1	0	109.6	L99 Y100 N101	L99-K103 WeakPolarHBondContact CA-O 3.2Å; Y100-K103 PolarHBondContact N-O 3.42Å; Y100-K103 WeakPolarHBondContact O-CA 3.22Å; Y100-K103 WeakPolarHBondContact O-CB 3.04Å; Y100-K103 PolarHBondContact O-N 2.95Å; N101-K103 PolarHBondContact O-N 2.93Å
104	Y	87.6	Confident	89	Confident	35 Å²	35	34.1 Å²	34.1	14%	0.137	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	128.3	174.3	-179.8	-106.6	0	0	0	110.6	C98 C106 F108 L122 Y126 I127	C98-Y104 HydrophobicContact CB-CD2 4.27Å; C98-Y104 HydrophobicContact CB-CE2 3.99Å; C98-Y104 WeakPolarHBondContact O-CA 3.39Å; Y104-C106 HydrophobicContact CE1-CB 4.42Å; Y104-C106 WeakPolarHBondContact CE1-O 3.02Å; Y104-C106 HydrophobicContact CE2-CB 3.9Å; Y104-C106 WeakPolarHBondContact OH-CB 3Å; Y104-C106 PolarHBondContact OH-O 2.97Å; Y104-F108 WeakPolarHBondContact OH-CE2 3.4Å; Y104-L122 HydrophobicContact CD2-CD1 4.18Å; Y104-L122 HydrophobicContact CD2-CD2 4.19Å; Y104-L122 HydrophobicContact CD2-CG 4.22Å; Y104-L122 HydrophobicContact CE2-CD2 3.9Å; Y104-L122 HydrophobicContact CE2-CG 4.32Å; Y104-Y126 HydrophobicContact CG-CG 4.34Å; Y104-I127 HydrophobicContact CE1-CG1 4.37Å; Y104-I127 HydrophobicContact CE2-CD1 3.98Å; Y104-I127 HydrophobicContact CE2-CG1 4.18Å
105	A	90.3	Very high	88.9	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.008	17%	0.171	C	C	.	.			trans	-116.4	-9	-171.4	0	0	0	0	0	113.7	S48 D51 A53 C98	S48-A105 WeakPolarHBondContact CA-O 3.42Å; D51-A105 HydrophobicContact CB-CB 3.92Å; D51-A105 VanDerWaalsContact O-CB 3.28Å; D51-A105 WeakPolarHBondContact O-CB 3.02Å; A53-A105 HydrophobicContact CB-CB 4.05Å; C98-A105 PolarHBondContact O-N 3.3Å
106	C	89.6	Confident	88.8	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.014	17%	0.171	C	C	.	.			trans	-90.2	126.4	-170.1	-83.8	0	0	0	0	114	L43 C98 Y104 F108	L43-C106 HydrophobicContact CD1-CB 3.46Å; L43-C106 VanDerWaalsContact CD1-CB 3.46Å; L43-C106 VanDerWaalsContact CD1-SG 3.52Å; C98-C106 WeakPolarHBondContact CA-SG 3.49Å; C98-C106 HydrophobicContact CB-CB 3.51Å; C98-C106 WeakPolarHBondContact CB-SG 3.41Å; C98-C106 WeakPolarHBondContact SG-CB 3.25Å; C98-C106 CovalentContact SG-SG 2Å; C98-C106 PolarHBondContact SG-SG 3.5Å; Y104-C106 HydrophobicContact CE1-CB 4.42Å; Y104-C106 WeakPolarHBondContact CE1-O 3.02Å; Y104-C106 HydrophobicContact CE2-CB 3.9Å; Y104-C106 WeakPolarHBondContact OH-CB 3Å; Y104-C106 PolarHBondContact OH-O 2.97Å; C106-F108 HydrophobicContact CB-CE2 4.36Å
107	R	85.8	Confident	88.7	Confident	55 Å²	55	36.5 Å²	36.5	21%	0.208	18%	0.182	C	C	.	.			trans	-107.7	130.5	177.1	-57.3	-64.9	173	-175.4	-5.3	110.4	L43 N44 E47 S48 D51 D367	L43-R107 CarbonylContact C-O 3.55Å; L43-R107 WeakPolarHBondContact CA-O 3.37Å; L43-R107 WeakPolarHBondContact CD1-O 3.47Å; N44-R107 HydrophobicContact CB-CB 4.3Å; N44-R107 PolarHBondContact N-O 3.48Å; E47-R107 HydrophobicContact CB-CG 4.4Å; E47-R107 HydrophobicContact CG-CB 4.44Å; E47-R107 HydrophobicContact CG-CG 3.88Å; S48-R107 PolarHBondContact OG-N 3.45Å; S48-R107 PolarHBondContact OG-O 2.76Å; D51-R107 IonicContact OD2-CZ 3.64Å; D51-R107 IonicContact OD2-NE 3.64Å; D51-R107 PolarHBondContact OD2-NE 2.7Å; D51-R107 IonicContact OD2-NH2 3.14Å; R107-D367 IonicContact CZ-OD1 2.58Å; R107-D367 IonicContact NE-OD1 3.93Å; R107-D367 IonicContact NH1-OD1 2.64Å; R107-D367 PolarHBondContact NH1-OD1 2.68Å; R107-D367 IonicContact NH1-OD2 2.75Å
108	F	86.3	Confident	88.6	Confident	12 Å²	12	35.5 Å²	35.5	5%	0.053	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	138	180	-75.1	-88.6	0	0	0	111	F41 M42 L43 V79 Y104 C106 I118 F424	F41-F108 HydrophobicContact CD1-CB 4.32Å; M42-F108 CarbonylContact O-C 3.54Å; M42-F108 WeakPolarHBondContact O-CA 3.5Å; L43-F108 HydrophobicContact CB-CE1 4.42Å; L43-F108 HydrophobicContact CD1-CD2 4.44Å; L43-F108 HydrophobicContact CD1-CE1 4.23Å; L43-F108 HydrophobicContact CD1-CE2 4.17Å; L43-F108 HydrophobicContact CD1-CZ 4.05Å; V79-F108 HydrophobicContact CG1-CZ 4.09Å; Y104-F108 WeakPolarHBondContact OH-CE2 3.4Å; C106-F108 HydrophobicContact CB-CE2 4.36Å; F108-I118 HydrophobicContact CE2-CD1 4.08Å; F108-I118 HydrophobicContact CZ-CD1 3.96Å; F108-I118 HydrophobicContact CZ-CG1 4.43Å; F108-F424 HydrophobicContact CB-CB 3.67Å; F108-F424 HydrophobicContact CB-CD1 3.85Å; F108-F424 HydrophobicContact CB-CD2 3.47Å; F108-F424 VanDerWaalsContact CB-CD2 3.47Å; F108-F424 HydrophobicContact CB-CE1 4.35Å; F108-F424 HydrophobicContact CB-CE2 4.02Å; F108-F424 HydrophobicContact CB-CG 3.36Å; F108-F424 HydrophobicContact CB-CZ 4.42Å; F108-F424 HydrophobicContact CD1-CD2 4.02Å; F108-F424 HydrophobicContact CD1-CE1 4.27Å; F108-F424 AromaticContact CD1-CE2 3.64Å; F108-F424 HydrophobicContact CD1-CE2 3.64Å; F108-F424 HydrophobicContact CD1-CG 4.47Å; F108-F424 AromaticContact CD1-CZ 3.79Å; F108-F424 HydrophobicContact CD1-CZ 3.79Å; F108-F424 AromaticContact CD2-CD1 3.5Å; F108-F424 HydrophobicContact CD2-CD1 3.5Å; F108-F424 HydrophobicContact CD2-CD2 4.3Å; F108-F424 AromaticContact CD2-CE1 3.4Å; F108-F424 HydrophobicContact CD2-CE1 3.4Å; F108-F424 VanDerWaalsContact CD2-CE1 3.4Å; F108-F424 HydrophobicContact CD2-CE2 4.22Å; F108-F424 AromaticContact CD2-CG 3.96Å; F108-F424 HydrophobicContact CD2-CG 3.96Å; F108-F424 AromaticContact CD2-CZ 3.79Å; F108-F424 HydrophobicContact CD2-CZ 3.79Å; F108-F424 HydrophobicContact CE1-CE1 4.46Å; F108-F424 HydrophobicContact CE1-CE2 4.12Å; F108-F424 AromaticContact CE1-CZ 3.89Å; F108-F424 HydrophobicContact CE1-CZ 3.89Å; F108-F424 HydrophobicContact CE2-CD1 4.18Å; F108-F424 AromaticContact CE2-CE1 3.62Å; F108-F424 HydrophobicContact CE2-CE1 3.62Å; F108-F424 AromaticContact CE2-CZ 3.88Å; F108-F424 HydrophobicContact CE2-CZ 3.88Å; F108-F424 HydrophobicContact CG-CB 4.49Å; F108-F424 AromaticContact CG-CD1 3.75Å; F108-F424 HydrophobicContact CG-CD1 3.75Å; F108-F424 AromaticContact CG-CD2 3.68Å; F108-F424 HydrophobicContact CG-CD2 3.68Å; F108-F424 AromaticContact CG-CE1 3.76Å; F108-F424 HydrophobicContact CG-CE1 3.76Å; F108-F424 AromaticContact CG-CE2 3.7Å; F108-F424 HydrophobicContact CG-CE2 3.7Å; F108-F424 AromaticContact CG-CG 3.7Å; F108-F424 HydrophobicContact CG-CG 3.7Å; F108-F424 AromaticContact CG-CZ 3.73Å; F108-F424 HydrophobicContact CG-CZ 3.73Å; F108-F424 HydrophobicContact CZ-CE1 4.15Å; F108-F424 AromaticContact CZ-CZ 3.93Å; F108-F424 HydrophobicContact CZ-CZ 3.93Å
109	V	83.9	Confident	88.5	Confident	12 Å²	12	37.3 Å²	37.3	7%	0.073	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.8	-177.7	-71.7	0	0	0	0	110	F41 M42 N44 K111 L358 A363	F41-V109 CarbonylContact C-O 3.59Å; F41-V109 WeakPolarHBondContact CA-O 3.4Å; M42-V109 PolarHBondContact N-O 3.14Å; M42-V109 VanDerWaalsContact O-CG2 3.26Å; M42-V109 WeakPolarHBondContact O-CG2 3.05Å; M42-V109 PolarHBondContact O-N 2.9Å; N44-V109 HydrophobicContact CB-CG1 3.88Å; N44-V109 HydrophobicContact CB-CG2 3.98Å; V109-K111 PolarHBondContact O-N 3.41Å; V109-L358 HydrophobicContact CB-CD2 4.4Å; V109-L358 HydrophobicContact CG2-CD1 3.98Å; V109-L358 HydrophobicContact CG2-CD2 3.44Å; V109-L358 VanDerWaalsContact CG2-CD2 3.44Å; V109-L358 HydrophobicContact CG2-CG 4.29Å; V109-A363 HydrophobicContact CG1-CB 3.21Å
110	K	84.1	Confident	88.3	Confident	111 Å²	111	39 Å²	39	48%	0.483	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	122	179.6	-172.2	179.8	-175.6	-177.9	0	110.7	N40 F41 D422	N40-K110 CarbonylContact O-C 3Å; N40-K110 WeakPolarHBondContact O-CA 3.18Å; F41-K110 HydrophobicContact CD1-CB 4.47Å; F41-K110 HydrophobicContact CE1-CB 4.07Å; F41-K110 HydrophobicContact CZ-CB 4.16Å; F41-K110 HydrophobicContact CZ-CG 4.4Å; K110-D422 WeakPolarHBondContact CD-OD1 3.29Å; K110-D422 IonicContact NZ-OD1 2.79Å; K110-D422 PolarHBondContact NZ-OD1 2.79Å
111	K	84.9	Confident	88	Confident	43 Å²	43	40.7 Å²	40.7	19%	0.187	21%	0.208	C	C	.	.			trans	-155.9	121.1	175.9	-171.1	161.6	-176.5	152.3	0	110.9	N40 M42 V109 Y114 L356 L358	N40-K111 CarbonylContact C-O 3.55Å; N40-K111 WeakPolarHBondContact CA-O 3.39Å; N40-K111 CarbonylContact O-C 3.15Å; N40-K111 PolarHBondContact O-N 3.49Å; N40-K111 VanDerWaalsContact O-O 3.04Å; M42-K111 HydrophobicContact CB-CB 3.77Å; M42-K111 HydrophobicContact CB-CD 4.24Å; M42-K111 HydrophobicContact CB-CG 4.48Å; M42-K111 HydrophobicContact SD-CD 3.77Å; V109-K111 PolarHBondContact O-N 3.41Å; K111-Y114 HydrophobicContact CB-CD2 4.3Å; K111-Y114 HydrophobicContact CD-CD2 4.13Å; K111-Y114 HydrophobicContact CD-CE2 3.89Å; K111-Y114 HydrophobicContact CG-CD2 3.86Å; K111-Y114 HydrophobicContact CG-CE2 4Å; K111-L356 VanDerWaalsContact NZ-CB 3.28Å; K111-L358 HydrophobicContact CD-CD2 3.92Å
112	S	87	Confident	87.7	Confident	95 Å²	95	38.5 Å²	38.5	66%	0.664	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	147.4	179.4	53.9	0	0	0	0	112.3	N40 Y114	N40-S112 WeakPolarHBondContact OD1-CA 3.34Å; S112-Y114 WeakPolarHBondContact O-CD2 3.44Å
113	G	88.6	Confident	87.4	Confident	28 Å²	28	37.1 Å²	37.1	29%	0.289	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	8.8	177	0	0	0	0	0	114.9	N40 K84	N40-G113 PolarHBondContact OD1-N 2.68Å; K84-G113 WeakPolarHBondContact CB-O 3.45Å; K84-G113 PolarHBondContact N-O 3.28Å
114	Y	90.4	Very high	87	Confident	17 Å²	17	41 Å²	41	7%	0.067	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.7	173.7	-69.2	-94.4	0	0	0	111.7	N40 F41 M42 L81 M82 E83 K111 S112	N40-Y114 WeakPolarHBondContact CA-O 3.48Å; N40-Y114 PolarHBondContact N-O 2.69Å; F41-Y114 WeakPolarHBondContact O-CB 3.14Å; M42-Y114 HydrophobicContact CB-CD1 4.35Å; M42-Y114 HydrophobicContact CB-CD2 4.16Å; M42-Y114 HydrophobicContact CB-CG 3.92Å; M42-Y114 HydrophobicContact CE-CE1 4.32Å; M42-Y114 HydrophobicContact CG-CD1 4.19Å; M42-Y114 HydrophobicContact CG-CE1 4.45Å; M42-Y114 HydrophobicContact CG-CG 4.23Å; M42-Y114 HydrophobicContact SD-CD1 3.98Å; M42-Y114 HydrophobicContact SD-CD2 4.1Å; M42-Y114 HydrophobicContact SD-CE1 3.68Å; M42-Y114 HydrophobicContact SD-CE2 3.83Å; M42-Y114 HydrophobicContact SD-CG 4.17Å; M42-Y114 VanDerWaalsContact SD-CZ 3.59Å; L81-Y114 HydrophobicContact CD1-CD1 4.19Å; L81-Y114 HydrophobicContact CG-CD1 4.42Å; M82-Y114 WeakPolarHBondContact O-CA 3.47Å; M82-Y114 WeakPolarHBondContact O-CD1 3.39Å; E83-Y114 HydrophobicContact CB-CD1 4.3Å; E83-Y114 HydrophobicContact CB-CE1 3.89Å; E83-Y114 HydrophobicContact CG-CE1 4.11Å; K111-Y114 HydrophobicContact CB-CD2 4.3Å; K111-Y114 HydrophobicContact CD-CD2 4.13Å; K111-Y114 HydrophobicContact CD-CE2 3.89Å; K111-Y114 HydrophobicContact CG-CD2 3.86Å; K111-Y114 HydrophobicContact CG-CE2 4Å; S112-Y114 WeakPolarHBondContact O-CD2 3.44Å
115	S	91.3	Very high	86.2	Confident	4 Å²	4	44.5 Å²	44.5	3%	0.028	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	148.7	170.9	52	0	0	0	0	109.6	M82 K84	M82-S115 PolarHBondContact N-O 2.02Å; M82-S115 PolarHBondContact O-N 2.83Å; K84-S115 WeakPolarHBondContact CE-OG 3.37Å
116	S	92.6	Very high	85.2	Confident	1 Å²	1	47 Å²	47	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.9	175.7	59.9	0	0	0	0	111.7	G37 A80	G37-S116 PolarHBondContact N-O 3.37Å; A80-S116 CarbonylContact O-C 3.37Å; A80-S116 VanDerWaalsContact O-CA 3.25Å; A80-S116 WeakPolarHBondContact O-CA 3.23Å
117	Y	92.9	Very high	84.1	Confident	59 Å²	59	47 Å²	47	23%	0.231	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.1	164.4	-80.2	-103.3	0	0	0	108.2	F34 D35 A36 K64 V68 V79 A80 M82	F34-Y117 HydrophobicContact CB-CD1 4.29Å; D35-Y117 WeakPolarHBondContact O-CA 3.2Å; A36-Y117 HydrophobicContact CB-CD1 4.44Å; A36-Y117 HydrophobicContact CB-CE1 4.03Å; K64-Y117 HydrophobicContact CB-CE2 4.44Å; V68-Y117 HydrophobicContact CG2-CD1 3.91Å; V68-Y117 HydrophobicContact CG2-CD2 3.96Å; V68-Y117 HydrophobicContact CG2-CE1 4.45Å; V68-Y117 HydrophobicContact CG2-CE2 4.49Å; V68-Y117 HydrophobicContact CG2-CG 3.63Å; V79-Y117 WeakPolarHBondContact CA-O 3.5Å; A80-Y117 PolarHBondContact N-O 3.31Å; A80-Y117 PolarHBondContact O-N 2.78Å; M82-Y117 HydrophobicContact CE-CD2 3.44Å; M82-Y117 VanDerWaalsContact CE-CD2 3.44Å; M82-Y117 HydrophobicContact CE-CE2 3.94Å; M82-Y117 HydrophobicContact CE-CG 4.26Å; M82-Y117 HydrophobicContact SD-CD2 4.32Å; M82-Y117 HydrophobicContact SD-CE2 4.41Å
118	I	92	Very high	83.2	Confident	1 Å²	1	49 Å²	49	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.6	-174	-58.5	167.9	0	0	0	109	F34 D35 V79 F108 K120 L122 I127 F424	F34-I118 CarbonylContact C-O 3.6Å; F34-I118 WeakPolarHBondContact CA-O 3.49Å; F34-I118 VanDerWaalsContact CD1-C 3.46Å; D35-I118 PolarHBondContact N-O 2.79Å; D35-I118 PolarHBondContact O-N 2.75Å; V79-I118 HydrophobicContact CG2-CG1 4.11Å; V79-I118 HydrophobicContact CG2-CG2 4.22Å; F108-I118 HydrophobicContact CE2-CD1 4.08Å; F108-I118 HydrophobicContact CZ-CD1 3.96Å; F108-I118 HydrophobicContact CZ-CG1 4.43Å; I118-K120 PolarHBondContact O-N 2.96Å; I118-L122 HydrophobicContact CG2-CB 4.4Å; I118-L122 HydrophobicContact CG2-CD2 3.9Å; I118-I127 HydrophobicContact CD1-CD1 4.08Å; I118-I127 HydrophobicContact CG2-CD1 4Å; I118-F424 HydrophobicContact CD1-CE1 3.54Å; I118-F424 HydrophobicContact CD1-CZ 3.51Å
119	L	91.6	Very high	81.9	Confident	38 Å²	38	52 Å²	52	20%	0.199	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	129	176.6	-171.7	69.6	0	0	0	110.5	K33 F34 N78 S121 L122 Y123	K33-L119 HydrophobicContact CB-CD1 3.96Å; F34-L119 HydrophobicContact CD1-CB 4.38Å; F34-L119 HydrophobicContact CD2-CD1 4.18Å; F34-L119 HydrophobicContact CE1-CB 3.99Å; F34-L119 HydrophobicContact CE1-CD1 4.34Å; F34-L119 HydrophobicContact CE2-CD1 3.72Å; F34-L119 HydrophobicContact CZ-CB 4.24Å; F34-L119 HydrophobicContact CZ-CD1 3.81Å; N78-L119 HydrophobicContact CB-CB 4.2Å; N78-L119 HydrophobicContact CB-CD2 4.28Å; N78-L119 PolarHBondContact O-N 2.98Å; L119-S121 VanDerWaalsContact C-N 3.27Å; L119-S121 WeakPolarHBondContact CD2-OG 3.29Å; L119-S121 WeakPolarHBondContact CG-OG 3.28Å; L119-S121 PolarHBondContact O-N 2.87Å; L119-L122 HydrophobicContact CB-CB 4.17Å; L119-L122 WeakPolarHBondContact O-CB 3.43Å; L119-L122 PolarHBondContact O-N 2.93Å; L119-Y123 PolarHBondContact O-N 2.92Å
120	K	87.7	Confident	80.4	Confident	86 Å²	86	55.5 Å²	55.5	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-56.9	-36.9	-176.7	-77.6	174.6	175.7	173.4	0	113.7	A32 K33 D35 I118 Y123 K124	A32-K120 WeakPolarHBondContact O-CD 3.38Å; A32-K120 VanDerWaalsContact O-CE 3.32Å; A32-K120 WeakPolarHBondContact O-CE 3.41Å; A32-K120 PolarHBondContact O-NZ 3.05Å; K33-K120 WeakPolarHBondContact O-CB 3.41Å; K33-K120 VanDerWaalsContact O-CG 3.3Å; K33-K120 WeakPolarHBondContact O-CG 3.46Å; K33-K120 PolarHBondContact O-N 2.82Å; D35-K120 HydrophobicContact CB-CG 4.34Å; D35-K120 VanDerWaalsContact CG-CE 3.42Å; D35-K120 WeakPolarHBondContact OD1-CE 3.23Å; D35-K120 IonicContact OD1-NZ 2.81Å; I118-K120 PolarHBondContact O-N 2.96Å; K120-Y123 PolarHBondContact O-N 3.42Å; K120-K124 WeakPolarHBondContact O-CB 3.39Å; K120-K124 PolarHBondContact O-N 3.45Å
121	S	84.5	Confident	78.5	Confident	67 Å²	67	53 Å²	53	47%	0.469	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-45.6	176.8	53.3	0	0	0	0	111.1	L119 K124 E125	L119-S121 VanDerWaalsContact C-N 3.27Å; L119-S121 WeakPolarHBondContact CD2-OG 3.29Å; L119-S121 WeakPolarHBondContact CG-OG 3.28Å; L119-S121 PolarHBondContact O-N 2.87Å; S121-K124 PolarHBondContact O-N 2.86Å; S121-E125 WeakPolarHBondContact O-CB 3.33Å; S121-E125 PolarHBondContact O-N 2.9Å
122	L	83.1	Confident	76.7	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-47.9	175	-170.9	79.7	0	0	0	110.9	N78 V79 C98 L99 Y104 I118 L119 K124 E125 Y126	N78-L122 HydrophobicContact CB-CD2 4.08Å; V79-L122 HydrophobicContact CG2-CD2 4.02Å; C98-L122 HydrophobicContact CB-CD2 4.12Å; L99-L122 HydrophobicContact CD1-CD1 3.66Å; L99-L122 HydrophobicContact CD2-CD1 3.44Å; L99-L122 VanDerWaalsContact CD2-CD1 3.44Å; L99-L122 HydrophobicContact CG-CD1 3.47Å; L99-L122 VanDerWaalsContact CG-CD1 3.47Å; Y104-L122 HydrophobicContact CD2-CD1 4.18Å; Y104-L122 HydrophobicContact CD2-CD2 4.19Å; Y104-L122 HydrophobicContact CD2-CG 4.22Å; Y104-L122 HydrophobicContact CE2-CD2 3.9Å; Y104-L122 HydrophobicContact CE2-CG 4.32Å; I118-L122 HydrophobicContact CG2-CB 4.4Å; I118-L122 HydrophobicContact CG2-CD2 3.9Å; L119-L122 HydrophobicContact CB-CB 4.17Å; L119-L122 WeakPolarHBondContact O-CB 3.43Å; L119-L122 PolarHBondContact O-N 2.93Å; L122-K124 VanDerWaalsContact C-N 3.35Å; L122-K124 PolarHBondContact O-N 3.38Å; L122-E125 PolarHBondContact O-N 2.69Å; L122-Y126 HydrophobicContact CD1-CD2 3.72Å; L122-Y126 HydrophobicContact CD1-CE2 4.07Å; L122-Y126 HydrophobicContact CG-CD2 4.3Å; L122-Y126 PolarHBondContact O-N 2.64Å
123	Y	77.7	Confident	74.5	Confident	29 Å²	29	56.3 Å²	56.3	11%	0.114	28%	0.284	C	S	.	.	I	π-helix	trans	-58.7	-46.7	179.9	-171.3	-80.8	0	0	0	111.8	L119 K120 E125 I127 K128 R426	L119-Y123 PolarHBondContact O-N 2.92Å; K120-Y123 PolarHBondContact O-N 3.42Å; Y123-E125 PolarHBondContact O-N 2.92Å; Y123-I127 HydrophobicContact CD2-CB 3.83Å; Y123-I127 HydrophobicContact CD2-CD1 3.92Å; Y123-I127 HydrophobicContact CD2-CG1 4.4Å; Y123-I127 HydrophobicContact CD2-CG2 3.81Å; Y123-I127 HydrophobicContact CE2-CB 3.84Å; Y123-I127 HydrophobicContact CE2-CD1 4.46Å; Y123-I127 HydrophobicContact CE2-CG2 3.36Å; Y123-I127 HydrophobicContact CG-CB 4.19Å; Y123-I127 CarbonylContact O-C 3.55Å; Y123-I127 WeakPolarHBondContact O-CA 3.35Å; Y123-I127 WeakPolarHBondContact O-CB 3.49Å; Y123-I127 PolarHBondContact O-N 2.89Å; Y123-K128 HydrophobicContact CE1-CB 4.19Å; Y123-K128 PolarHBondContact O-N 2.8Å; Y123-R426 HydrophobicContact CE2-CB 4.32Å; Y123-R426 WeakPolarHBondContact OH-CB 3.41Å; Y123-R426 PolarHBondContact OH-N 2.92Å; Y123-R426 VanDerWaalsContact OH-N 3.15Å
124	K	74.6	Confident	72.7	Confident	163 Å²	163	62 Å²	62	71%	0.709	30%	0.303	S	S	*	.	I	π-helix	trans	-65.6	-38.7	-178.3	-174.6	-175.1	174.5	-166.2	0	112.4	K120 S121 L122	K120-K124 WeakPolarHBondContact O-CB 3.39Å; K120-K124 PolarHBondContact O-N 3.45Å; S121-K124 PolarHBondContact O-N 2.86Å; L122-K124 VanDerWaalsContact C-N 3.35Å; L122-K124 PolarHBondContact O-N 3.38Å
125	E	70.9	Confident	71	Confident	107 Å²	107	69.9 Å²	69.9	50%	0.5	34%	0.341	S	S	.	.	I	π-helix	trans	-82.2	-33.9	-173.5	-170.7	170.1	-173.9	0	0	112.4	S121 L122 Y123	S121-E125 WeakPolarHBondContact O-CB 3.33Å; S121-E125 PolarHBondContact O-N 2.9Å; L122-E125 PolarHBondContact O-N 2.69Å; Y123-E125 PolarHBondContact O-N 2.92Å
126	Y	69.3	Low	69.4	Low	54 Å²	54	77.7 Å²	77.7	21%	0.212	38%	0.382	C	S	.	.	I	π-helix	trans	-125.7	-16.5	-169	-58.9	-79.4	0	0	0	116.1	L99 K102 Y104 L122	L99-Y126 HydrophobicContact CD2-CD2 4.14Å; L99-Y126 HydrophobicContact CD2-CE2 3.68Å; K102-Y126 WeakPolarHBondContact O-CE1 3.15Å; K102-Y126 VanDerWaalsContact O-CZ 3.27Å; K102-Y126 PolarHBondContact O-OH 3.15Å; Y104-Y126 HydrophobicContact CG-CG 4.34Å; L122-Y126 HydrophobicContact CD1-CD2 3.72Å; L122-Y126 HydrophobicContact CD1-CE2 4.07Å; L122-Y126 HydrophobicContact CG-CD2 4.3Å; L122-Y126 PolarHBondContact O-N 2.64Å
127	I	67.7	Low	68.3	Low	3 Å²	3	85.1 Å²	85.1	2%	0.015	41%	0.414	C	S	.	.	I	π-helix	trans	-114.6	-20.2	-173.4	-50.5	-179.6	0	0	0	111.2	Y104 I118 Y123 H129 D425	Y104-I127 HydrophobicContact CE1-CG1 4.37Å; Y104-I127 HydrophobicContact CE2-CD1 3.98Å; Y104-I127 HydrophobicContact CE2-CG1 4.18Å; I118-I127 HydrophobicContact CD1-CD1 4.08Å; I118-I127 HydrophobicContact CG2-CD1 4Å; Y123-I127 HydrophobicContact CD2-CB 3.83Å; Y123-I127 HydrophobicContact CD2-CD1 3.92Å; Y123-I127 HydrophobicContact CD2-CG1 4.4Å; Y123-I127 HydrophobicContact CD2-CG2 3.81Å; Y123-I127 HydrophobicContact CE2-CB 3.84Å; Y123-I127 HydrophobicContact CE2-CD1 4.46Å; Y123-I127 HydrophobicContact CE2-CG2 3.36Å; Y123-I127 HydrophobicContact CG-CB 4.19Å; Y123-I127 CarbonylContact O-C 3.55Å; Y123-I127 WeakPolarHBondContact O-CA 3.35Å; Y123-I127 WeakPolarHBondContact O-CB 3.49Å; Y123-I127 PolarHBondContact O-N 2.89Å; I127-H129 PolarHBondContact O-N 3.36Å; I127-D425 WeakPolarHBondContact CG2-OD1 3.43Å
128	K	65.8	Low	67.7	Low	95 Å²	95	84.1 Å²	84.1	41%	0.413	41%	0.413	S	S	.	.			trans	-81	90	179.7	-171	-170.2	169.8	-106	0	110.4	Y123 D130	Y123-K128 HydrophobicContact CE1-CB 4.19Å; Y123-K128 PolarHBondContact O-N 2.8Å; K128-D130 WeakPolarHBondContact CE-OD1 3.49Å; K128-D130 IonicContact NZ-OD1 3.58Å; K128-D130 PolarHBondContact NZ-OD1 2.85Å; K128-D130 IonicContact NZ-OD2 3.47Å; K128-D130 PolarHBondContact NZ-OD2 2.92Å
129	H	60	Low	67.2	Low	75 Å²	75	85.2 Å²	85.2	35%	0.347	42%	0.421	S	S	.	.			trans	-76.1	123.1	162.6	-64.8	-86	0	0	0	109.6	I127 T131 E368 D425 K427	I127-H129 PolarHBondContact O-N 3.36Å; H129-T131 VanDerWaalsContact C-N 3.34Å; H129-T131 PolarHBondContact O-N 2.97Å; H129-E368 IonicContact CD2-OE1 3.39Å; H129-E368 IonicContact CE1-OE1 3.6Å; H129-E368 PolarHBondContact CE1-OE1 2.76Å; H129-E368 IonicContact CE1-OE2 2.8Å; H129-E368 PolarHBondContact CE1-OE2 3.36Å; H129-E368 IonicContact CG-OE1 3.63Å; H129-E368 VanDerWaalsContact CG-OE1 3.28Å; H129-E368 IonicContact ND1-OE1 2.7Å; H129-E368 PolarHBondContact ND1-OE1 3.42Å; H129-E368 IonicContact ND1-OE2 2.64Å; H129-E368 PolarHBondContact ND1-OE2 3.07Å; H129-E368 VanDerWaalsContact ND1-OE2 3.12Å; H129-E368 IonicContact NE2-OE1 3.48Å; H129-E368 IonicContact NE2-OE2 3.74Å; H129-D425 IonicContact CD2-OD2 2.86Å; H129-D425 PolarHBondContact CD2-OD2 3.15Å; H129-K427 PolarHBondContact O-NZ 2.79Å
130	D	50.8	Low	67	Low	86 Å²	86	86.7 Å²	86.7	46%	0.46	43%	0.433	S	S	.	.			trans	-71.8	91.7	172.7	-89.5	-37.8	0	0	0	109.5	K128 I132 K427	K128-D130 WeakPolarHBondContact CE-OD1 3.49Å; K128-D130 IonicContact NZ-OD1 3.58Å; K128-D130 PolarHBondContact NZ-OD1 2.85Å; K128-D130 IonicContact NZ-OD2 3.47Å; K128-D130 PolarHBondContact NZ-OD2 2.92Å; D130-I132 PolarHBondContact O-N 3.45Å; D130-I132 VanDerWaalsContact O-N 3.12Å; D130-K427 IonicContact OD1-NZ 3.92Å; D130-K427 PolarHBondContact OD1-NZ 2.84Å
131	T	44.8	Very low	67.1	Low	60 Å²	60	82.7 Å²	82.7	37%	0.368	42%	0.416	S	S	.	.			trans	-52.7	121.7	163.4	57.7	0	0	0	0	109.7	H129 T133 K427	H129-T131 VanDerWaalsContact C-N 3.34Å; H129-T131 PolarHBondContact O-N 2.97Å; T131-T133 PolarHBondContact O-N 3.49Å; T131-K427 HydrophobicContact CG2-CB 3.97Å; T131-K427 HydrophobicContact CG2-CD 3.54Å; T131-K427 HydrophobicContact CG2-CG 4.28Å; T131-K427 WeakPolarHBondContact OG1-CD 3.42Å; T131-K427 WeakPolarHBondContact OG1-CE 3.33Å; T131-K427 PolarHBondContact OG1-NZ 2.9Å
132	I	47.2	Very low	67.3	Low	119 Å²	119	84 Å²	84	61%	0.61	42%	0.421	S	S	*	.			trans	-32.2	104	161.6	-56.7	164.8	0	0	0	109.7	D130	D130-I132 PolarHBondContact O-N 3.45Å; D130-I132 VanDerWaalsContact O-N 3.12Å
133	T	41.9	Very low	67.7	Low	88 Å²	88	84.3 Å²	84.3	54%	0.54	42%	0.423	S	S	.	.			trans	-95.6	110.2	168.1	45.1	0	0	0	0	108.3	T131	T131-T133 PolarHBondContact O-N 3.49Å
134	E	49.6	Very low	68.3	Low	147 Å²	147	85.5 Å²	85.5	69%	0.687	43%	0.432	S	S	*	.	S	Bend	trans	64	129.6	170.8	-56.2	-68.9	128	0	0	114.4	N136	E134-N136 PolarHBondContact O-N 3.01Å; E134-N136 VanDerWaalsContact O-N 3.14Å
135	E	55.2	Low	69.1	Low	183 Å²	183	77.8 Å²	77.8	86%	0.855	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	122.5	173.2	-67.5	175.9	166.1	0	0	109.5
136	N	56.7	Low	70.1	Confident	168 Å²	168	74.3 Å²	74.3	90%	0.898	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	100	17.7	173.6	-51.5	-67.8	0	0	0	119.6	E134	E134-N136 PolarHBondContact O-N 3.01Å; E134-N136 VanDerWaalsContact O-N 3.14Å
137	K	69.6	Low	71.1	Confident	156 Å²	156	73.5 Å²	73.5	68%	0.678	39%	0.393	S	S	*	.			trans	-114.8	112	168.1	-164.1	178.2	179.4	-172.3	0	112.2	S139	K137-S139 PolarHBondContact O-N 2.75Å
138	D	81.3	Confident	72.4	Confident	38 Å²	38	74.9 Å²	74.9	20%	0.203	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-63.3	125.6	173.5	-160.9	37.6	0	0	0	110.5	H168 A216 Q218	D138-H168 IonicContact OD1-CE1 3.16Å; D138-H168 PolarHBondContact OD1-CE1 2Å; D138-H168 IonicContact OD1-CG 2.69Å; D138-H168 IonicContact OD1-ND1 2.84Å; D138-H168 PolarHBondContact OD1-ND1 2.8Å; D138-A216 WeakPolarHBondContact OD2-CB 3.35Å; D138-Q218 PolarHBondContact O-NE2 2.03Å; D138-Q218 PolarHBondContact O-OE1 3.29Å; D138-Q218 PolarHBondContact OD2-NE2 2.96Å
139	S	81.9	Confident	73.7	Confident	24 Å²	24	71.7 Å²	71.7	17%	0.168	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-91.5	154.2	174.4	-65.2	0	0	0	0	109.9	K137 E167 Q218	K137-S139 PolarHBondContact O-N 2.75Å; S139-E167 WeakPolarHBondContact CB-OE1 3.06Å; S139-E167 PolarHBondContact OG-OE1 3.4Å; S139-Q218 PolarHBondContact O-NE2 3.27Å; S139-Q218 VanDerWaalsContact O-NE2 3.15Å
140	P	86	Confident	75.4	Confident	69 Å²	69	69.2 Å²	69.2	45%	0.448	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-60.2	150.3	170.9	-20.8	32.3	0	0	0	111.7	Q218	P140-Q218 HydrophobicContact CB-CB 4.03Å; P140-Q218 HydrophobicContact CG-CB 4.33Å
141	P	90.7	Very high	77.5	Confident	3 Å²	3	65.2 Å²	65.2	2%	0.019	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-63.4	160.6	174.2	29.2	-36	0	0	0	110.8	R165 D166 L172 V212 D214 D220	P141-R165 CarbonylContact C-O 3.59Å; P141-R165 WeakPolarHBondContact CA-O 3.36Å; P141-D166 HydrophobicContact CB-CB 4.24Å; P141-L172 HydrophobicContact CB-CD2 4.02Å; P141-V212 HydrophobicContact CB-CG1 4.16Å; P141-V212 HydrophobicContact CG-CG1 4.31Å; P141-D214 HydrophobicContact CG-CB 4.32Å; P141-D220 WeakPolarHBondContact O-CB 3.35Å
142	V	87.9	Confident	79.8	Confident	95 Å²	95	63.3 Å²	63.3	58%	0.576	34%	0.344	S	S	*	.	B	Isolated β-bridge	trans	-103	116.7	172.2	-179.3	0	0	0	0	108.6	S164 R165	V142-S164 VanDerWaalsContact O-CA 3.27Å; V142-S164 WeakPolarHBondContact O-CA 3.37Å; V142-S164 WeakPolarHBondContact O-CB 3.41Å; V142-R165 PolarHBondContact N-O 2.79Å; V142-R165 PolarHBondContact O-N 2.9Å
143	A	91.2	Very high	81.8	Confident	8 Å²	8	60 Å²	60	7%	0.066	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-84.9	125.7	-179.7	0	0	0	0	0	111.2	V212 D220 T222	A143-V212 HydrophobicContact CB-CB 4.06Å; A143-V212 HydrophobicContact CB-CG2 3.64Å; A143-D220 HydrophobicContact CB-CB 4.12Å; A143-D220 PolarHBondContact N-OD2 2.75Å; A143-T222 HydrophobicContact CB-CG2 3.9Å; A143-T222 WeakPolarHBondContact O-CB 3.19Å; A143-T222 VanDerWaalsContact O-CG2 3.26Å; A143-T222 WeakPolarHBondContact O-CG2 3.49Å
144	D	90.9	Very high	83.8	Confident	54 Å²	54	64.9 Å²	64.9	29%	0.289	34%	0.344	S	S	.	.			trans	-125.6	116.2	174.5	-168.8	-20.7	0	0	0	109.8	G146 G161 Q163 S164 L210	D144-G146 WeakPolarHBondContact OD1-CA 3.42Å; D144-G146 PolarHBondContact OD1-N 3.25Å; D144-G161 CarbonylContact O-C 3.54Å; D144-G161 VanDerWaalsContact O-CA 3.28Å; D144-G161 WeakPolarHBondContact O-CA 2.85Å; D144-Q163 HydrophobicContact CB-CB 4.02Å; D144-Q163 WeakPolarHBondContact OD2-CB 3.36Å; D144-S164 PolarHBondContact N-OG 3.14Å; D144-S164 PolarHBondContact O-OG 2.81Å; D144-L210 WeakPolarHBondContact O-CD2 3.17Å
145	A	92.4	Very high	85.6	Confident	2 Å²	2	61.2 Å²	61.2	2%	0.017	33%	0.327	C	S	.	.			trans	-96	3	-179.7	0	0	0	0	0	113.3	S160 W176 L210 T222 I224	A145-S160 CarbonylContact C-O 3.56Å; A145-W176 HydrophobicContact CB-CH2 3.61Å; A145-W176 HydrophobicContact CB-CZ3 4.07Å; A145-L210 HydrophobicContact CB-CB 3.98Å; A145-L210 HydrophobicContact CB-CD2 4.15Å; A145-T222 HydrophobicContact CB-CG2 3.55Å; A145-I224 HydrophobicContact CB-CB 4.04Å; A145-I224 HydrophobicContact CB-CG2 4.16Å; A145-I224 VanDerWaalsContact O-CD1 3.24Å; A145-I224 WeakPolarHBondContact O-CD1 3.01Å
146	G	90.3	Very high	87.4	Confident	34 Å²	34	55.5 Å²	55.5	35%	0.351	31%	0.307	S	S	.	.			trans	79.2	-174.5	-172.1	0	0	0	0	0	113.8	D144	D144-G146 WeakPolarHBondContact OD1-CA 3.42Å; D144-G146 PolarHBondContact OD1-N 3.25Å
147	S	90.8	Very high	89.2	Confident	36 Å²	36	47.6 Å²	47.6	25%	0.252	27%	0.265	S	S	.	.	S	Bend	trans	-81.5	150.9	-177.5	-53.9	0	0	0	0	112.8	N101 I149 I224	N101-S147 CarbonylContact O-C 3.55Å; N101-S147 WeakPolarHBondContact O-CA 3.11Å; N101-S147 VanDerWaalsContact O-CB 3.28Å; N101-S147 WeakPolarHBondContact O-CB 3.44Å; S147-I149 WeakPolarHBondContact O-CG1 3.2Å; S147-I149 PolarHBondContact O-N 3.43Å; S147-I224 WeakPolarHBondContact O-CD1 3.35Å
148	D	94.4	Very high	90.4	Very high	32 Å²	32	43.1 Å²	43.1	17%	0.171	25%	0.25	C	S	.	.			trans	-52.7	137	172.7	-79.9	-3.8	0	0	0	110.8	N101 K102 N225	N101-D148 HydrophobicContact CB-CB 4.03Å; N101-D148 PolarHBondContact O-N 3.11Å; K102-D148 WeakPolarHBondContact CD-OD1 3.35Å; D148-N225 WeakPolarHBondContact CA-O 3.37Å; D148-N225 HydrophobicContact CB-CB 4.48Å; D148-N225 WeakPolarHBondContact OD1-CB 3.38Å; D148-N225 PolarHBondContact OD1-N 3.3Å; D148-N225 PolarHBondContact OD1-ND2 2.9Å; D148-N225 PolarHBondContact OD2-ND2 3.39Å
149	I	94.6	Very high	91	Very high	28 Å²	28	41.3 Å²	41.3	14%	0.144	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.9	-173.9	-55.3	178.4	0	0	0	109.5	S147 V151 V157 L159 I224 N225 V226 L227	S147-I149 WeakPolarHBondContact O-CG1 3.2Å; S147-I149 PolarHBondContact O-N 3.43Å; I149-V151 HydrophobicContact CG2-CG1 3.59Å; I149-V157 HydrophobicContact CG2-CG1 4.24Å; I149-L159 HydrophobicContact CD1-CD2 3.63Å; I149-I224 HydrophobicContact CD1-CD1 4.37Å; I149-I224 HydrophobicContact CG1-CD1 4.25Å; I149-N225 PolarHBondContact N-O 3.43Å; I149-V226 CarbonylContact O-C 3.55Å; I149-V226 WeakPolarHBondContact O-CA 3.42Å; I149-L227 PolarHBondContact O-N 2.83Å
150	V	95.5	Very high	91.6	Very high	24 Å²	24	41.8 Å²	41.8	15%	0.145	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.2	171.3	-176.5	0	0	0	0	108.6	L227 L229 A287	V150-L227 WeakPolarHBondContact CA-O 3.34Å; V150-L227 HydrophobicContact CG1-CD2 4.46Å; V150-L227 HydrophobicContact CG2-CB 4.39Å; V150-L227 HydrophobicContact CG2-CD2 4.44Å; V150-L229 HydrophobicContact CG1-CD1 3.75Å; V150-L229 HydrophobicContact CG1-CD2 3.59Å; V150-L229 HydrophobicContact CG1-CG 3.66Å; V150-A287 HydrophobicContact CB-CB 4.3Å; V150-A287 HydrophobicContact CG1-CB 4.06Å; V150-A287 WeakPolarHBondContact O-CA 3.05Å; V150-A287 PolarHBondContact O-N 3.3Å
151	V	95.3	Very high	92	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.5	-178.6	-62.2	0	0	0	0	113.3	I149 E155 V157 V226 L227 V228 L229 K286	I149-V151 HydrophobicContact CG2-CG1 3.59Å; V151-E155 HydrophobicContact CB-CB 4.3Å; V151-V157 HydrophobicContact CB-CG1 4.29Å; V151-V157 HydrophobicContact CG1-CG1 3.53Å; V151-V157 HydrophobicContact CG2-CG1 3.84Å; V151-V226 HydrophobicContact CG2-CG1 4.37Å; V151-L227 PolarHBondContact N-O 2.97Å; V151-V228 HydrophobicContact CG2-CB 4.44Å; V151-V228 HydrophobicContact CG2-CG2 3.87Å; V151-V228 WeakPolarHBondContact O-CA 3.46Å; V151-L229 PolarHBondContact O-N 3.49Å; V151-K286 VanDerWaalsContact CA-O 3.32Å; V151-K286 WeakPolarHBondContact CA-O 3.45Å; V151-K286 HydrophobicContact CG1-CB 4.16Å
152	Q	92.7	Very high	92	Very high	19 Å²	19	41.3 Å²	41.3	9%	0.089	24%	0.235	C	C	.	.			trans	-72.7	156.6	165.7	-72.9	-61.8	-34	0	0	112.4	E155 S234 K286 A287 H289 T291	Q152-E155 HydrophobicContact CB-CG 4.28Å; Q152-E155 PolarHBondContact O-N 3.3Å; Q152-S234 PolarHBondContact NE2-OG 3.29Å; Q152-S234 VanDerWaalsContact NE2-OG 3.12Å; Q152-S234 PolarHBondContact OE1-OG 2.03Å; Q152-K286 PolarHBondContact N-O 3.4Å; Q152-A287 VanDerWaalsContact CG-O 3.28Å; Q152-A287 WeakPolarHBondContact CG-O 3.36Å; Q152-A287 PolarHBondContact NE2-O 2.98Å; Q152-H289 WeakPolarHBondContact CG-O 3.29Å; Q152-T291 HydrophobicContact CG-CG2 3.91Å
153	P	89.3	Confident	92.1	Very high	50 Å²	50	38.5 Å²	38.5	33%	0.325	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	144.4	170.9	-23.3	33.6	0	0	0	112.1	E155 V228 L229	P153-E155 PolarHBondContact O-N 3.31Å; P153-V228 HydrophobicContact CB-CG1 4.18Å; P153-V228 HydrophobicContact CG-CG1 4.1Å; P153-L229 WeakPolarHBondContact CG-O 3.13Å
154	K	82.6	Confident	92	Very high	191 Å²	191	38.7 Å²	38.7	83%	0.83	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	-7.9	-179.6	-48.5	169.8	-178.6	171.4	0	116
155	E	88.4	Confident	91.8	Very high	70 Å²	70	40.9 Å²	40.9	33%	0.327	22%	0.221	S	C	.	.			trans	-70.7	144.3	169.7	-69.2	-60.5	165.5	0	0	111	V151 Q152 P153 H289	V151-E155 HydrophobicContact CB-CB 4.3Å; Q152-E155 HydrophobicContact CB-CG 4.28Å; Q152-E155 PolarHBondContact O-N 3.3Å; P153-E155 PolarHBondContact O-N 3.31Å; E155-H289 IonicContact OE1-CD2 2.94Å
156	S	92.4	Very high	91.4	Very high	63 Å²	63	42.3 Å²	42.3	44%	0.441	23%	0.228	S	C	.	.			trans	-84.8	146.7	169.8	55.6	0	0	0	0	110.2	V198	S156-V198 CarbonylContact C-O 3.59Å; S156-V198 WeakPolarHBondContact CA-O 3.41Å
157	V	94.4	Very high	90.7	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.9	176.8	-61.3	0	0	0	0	109.8	I149 V151 L159 I197 V198 L201 V226	I149-V157 HydrophobicContact CG2-CG1 4.24Å; V151-V157 HydrophobicContact CB-CG1 4.29Å; V151-V157 HydrophobicContact CG1-CG1 3.53Å; V151-V157 HydrophobicContact CG2-CG1 3.84Å; V157-L159 HydrophobicContact CG2-CD2 4.4Å; V157-I197 CarbonylContact O-C 3.56Å; V157-I197 WeakPolarHBondContact O-CA 3.25Å; V157-V198 HydrophobicContact CG2-CB 3.7Å; V157-V198 HydrophobicContact CG2-CG2 4.38Å; V157-V198 PolarHBondContact N-O 3.31Å; V157-V198 PolarHBondContact O-N 2.88Å; V157-L201 HydrophobicContact CG2-CD1 4.22Å; V157-V226 HydrophobicContact CG1-CG1 3.96Å; V157-V226 HydrophobicContact CG2-CG1 4.19Å; V157-V226 HydrophobicContact CG2-CG2 4.28Å
158	T	94.8	Very high	89.8	Confident	61 Å²	61	46.5 Å²	46.5	37%	0.374	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	121.4	170.1	-54.8	0	0	0	0	108.2	E195 I196	T158-E195 HydrophobicContact CG2-CG 4.31Å; T158-I196 WeakPolarHBondContact CA-O 3.45Å
159	L	95.5	Very high	88.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.3	172.8	-49.9	179.5	0	0	0	108	I149 V157 W176 E195 I196 V198 F208 I224 V226	I149-L159 HydrophobicContact CD1-CD2 3.63Å; V157-L159 HydrophobicContact CG2-CD2 4.4Å; L159-W176 HydrophobicContact CB-CE3 4.41Å; L159-W176 HydrophobicContact CB-CH2 3.66Å; L159-W176 HydrophobicContact CB-CZ2 3.92Å; L159-W176 HydrophobicContact CB-CZ3 3.93Å; L159-W176 HydrophobicContact CD1-CE3 4.24Å; L159-W176 HydrophobicContact CD1-CZ3 4Å; L159-E195 VanDerWaalsContact O-CA 3.28Å; L159-E195 WeakPolarHBondContact O-CA 3.39Å; L159-I196 HydrophobicContact CB-CD1 4.5Å; L159-I196 HydrophobicContact CB-CG1 3.92Å; L159-I196 HydrophobicContact CD1-CD1 4.01Å; L159-I196 HydrophobicContact CD1-CG1 4.3Å; L159-I196 HydrophobicContact CG-CG1 4.38Å; L159-I196 PolarHBondContact N-O 3.36Å; L159-I196 PolarHBondContact O-N 2.78Å; L159-V198 HydrophobicContact CD1-CG2 4.11Å; L159-V198 HydrophobicContact CG-CG2 4.5Å; L159-F208 HydrophobicContact CD1-CB 3.89Å; L159-F208 HydrophobicContact CD1-CD1 3.8Å; L159-F208 HydrophobicContact CD1-CD2 3.74Å; L159-F208 HydrophobicContact CD1-CE1 4.25Å; L159-F208 HydrophobicContact CD1-CE2 4.22Å; L159-F208 HydrophobicContact CD1-CG 3.53Å; L159-F208 HydrophobicContact CD1-CZ 4.45Å; L159-I224 HydrophobicContact CD1-CG2 4.36Å; L159-I224 HydrophobicContact CD2-CD1 4.09Å; L159-I224 HydrophobicContact CD2-CG2 4.45Å; L159-V226 HydrophobicContact CD2-CG2 3.94Å
160	S	94.3	Very high	87.1	Confident	34 Å²	34	53.2 Å²	53.2	24%	0.238	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.4	-174.7	178.7	0	0	0	0	111.2	A145 F162 D194	A145-S160 CarbonylContact C-O 3.56Å; S160-F162 VanDerWaalsContact C-N 3.32Å; S160-F162 WeakPolarHBondContact OG-CB 3.25Å; S160-F162 PolarHBondContact OG-N 2.8Å; S160-F162 VanDerWaalsContact OG-N 3.17Å; S160-D194 PolarHBondContact OG-OD2 2.01Å
161	G	93.3	Very high	86.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.301	C	S	.	.			trans	-91.1	9.2	172.3	0	0	0	0	0	113.6	D144 Q163 S164 F174 D194	D144-G161 CarbonylContact O-C 3.54Å; D144-G161 VanDerWaalsContact O-CA 3.28Å; D144-G161 WeakPolarHBondContact O-CA 2.85Å; G161-Q163 PolarHBondContact O-N 3.4Å; G161-Q163 VanDerWaalsContact O-N 3.08Å; G161-S164 VanDerWaalsContact O-CB 3.26Å; G161-S164 WeakPolarHBondContact O-CB 3.44Å; G161-S164 PolarHBondContact O-N 2.91Å; G161-S164 PolarHBondContact O-OG 2.84Å; G161-F174 WeakPolarHBondContact O-CE1 3.48Å; G161-D194 PolarHBondContact N-O 3.11Å
162	F	91.2	Very high	86.4	Confident	62 Å²	62	57.9 Å²	57.9	27%	0.272	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.1	-165.8	179.6	-108.9	0	0	0	114.5	S160 S164 D194 T371 C374 R375	S160-F162 VanDerWaalsContact C-N 3.32Å; S160-F162 WeakPolarHBondContact OG-CB 3.25Å; S160-F162 PolarHBondContact OG-N 2.8Å; S160-F162 VanDerWaalsContact OG-N 3.17Å; F162-S164 VanDerWaalsContact C-N 3.29Å; F162-S164 PolarHBondContact O-N 2.89Å; F162-D194 WeakPolarHBondContact CA-OD2 3.49Å; F162-D194 WeakPolarHBondContact CB-OD2 3.26Å; F162-D194 PolarHBondContact N-OD2 3.43Å; F162-T371 HydrophobicContact CE1-CG2 4.33Å; F162-C374 VanDerWaalsContact CE1-O 3.29Å; F162-C374 WeakPolarHBondContact CE1-O 3.36Å; F162-R375 HydrophobicContact CD2-CG 4.24Å; F162-R375 HydrophobicContact CE1-CG 4.5Å; F162-R375 HydrophobicContact CE2-CG 3.86Å; F162-R375 HydrophobicContact CZ-CG 3.99Å
163	Q	88.8	Confident	86.5	Confident	36 Å²	36	61.1 Å²	61.1	17%	0.168	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	3.4	-179.9	-63.9	-163.6	-17.7	0	0	114	D144 G161 R165 G372	D144-Q163 HydrophobicContact CB-CB 4.02Å; D144-Q163 WeakPolarHBondContact OD2-CB 3.36Å; G161-Q163 PolarHBondContact O-N 3.4Å; G161-Q163 VanDerWaalsContact O-N 3.08Å; Q163-R165 WeakPolarHBondContact O-CG 3.31Å; Q163-G372 PolarHBondContact NE2-O 2.81Å; Q163-G372 VanDerWaalsContact NE2-O 3.07Å
164	S	90.7	Very high	86.8	Confident	12 Å²	12	60.9 Å²	60.9	8%	0.084	32%	0.323	C	S	.	.			trans	-67	139.4	173.7	-55.2	0	0	0	0	110.5	V142 D144 G161 F162	V142-S164 VanDerWaalsContact O-CA 3.27Å; V142-S164 WeakPolarHBondContact O-CA 3.37Å; V142-S164 WeakPolarHBondContact O-CB 3.41Å; D144-S164 PolarHBondContact N-OG 3.14Å; D144-S164 PolarHBondContact O-OG 2.81Å; G161-S164 VanDerWaalsContact O-CB 3.26Å; G161-S164 WeakPolarHBondContact O-CB 3.44Å; G161-S164 PolarHBondContact O-N 2.91Å; G161-S164 PolarHBondContact O-OG 2.84Å; F162-S164 VanDerWaalsContact C-N 3.29Å; F162-S164 PolarHBondContact O-N 2.89Å
165	R	85.6	Confident	87.5	Confident	100 Å²	100	56.4 Å²	56.4	38%	0.377	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-132.8	156.3	-171.1	-61.6	178.9	-170.8	-144.8	5.2	111.8	P141 V142 Q163 P369 D370	P141-R165 CarbonylContact C-O 3.59Å; P141-R165 WeakPolarHBondContact CA-O 3.36Å; V142-R165 PolarHBondContact N-O 2.79Å; V142-R165 PolarHBondContact O-N 2.9Å; Q163-R165 WeakPolarHBondContact O-CG 3.31Å; R165-P369 PolarHBondContact NH1-O 2.87Å; R165-D370 IonicContact NH2-OD1 3.44Å
166	D	84.3	Confident	87.9	Confident	32 Å²	32	54.8 Å²	54.8	17%	0.171	30%	0.299	C	S	.	.			trans	-141	152.8	171.2	-177	19.1	0	0	0	108.6	P141 H168 L172	P141-D166 HydrophobicContact CB-CB 4.24Å; D166-H168 PolarHBondContact O-N 3.48Å; D166-L172 HydrophobicContact CB-CD2 3.99Å
167	E	75.8	Confident	88.1	Confident	75 Å²	75	54 Å²	54	35%	0.35	30%	0.296	S	S	.	.	S	Bend	trans	-64.7	-32.5	-177.5	-66	-178.2	-168	0	0	111.6	S139	S139-E167 WeakPolarHBondContact CB-OE1 3.06Å; S139-E167 PolarHBondContact OG-OE1 3.4Å
168	H	71.8	Confident	88.2	Confident	82 Å²	82	55.8 Å²	55.8	38%	0.38	31%	0.305	S	S	.	.	S	Bend	trans	-100.8	141.9	178.3	-62.9	102.1	0	0	0	110.5	D138 D166 Q170	D138-H168 IonicContact OD1-CE1 3.16Å; D138-H168 PolarHBondContact OD1-CE1 2Å; D138-H168 IonicContact OD1-CG 2.69Å; D138-H168 IonicContact OD1-ND1 2.84Å; D138-H168 PolarHBondContact OD1-ND1 2.8Å; D166-H168 PolarHBondContact O-N 3.48Å; H168-Q170 HydrophobicContact CB-CG 3.7Å; H168-Q170 VanDerWaalsContact CB-NE2 3.33Å; H168-Q170 PolarHBondContact O-N 2.91Å
169	P	63.6	Low	88.3	Confident	143 Å²	143	56.7 Å²	56.7	93%	0.929	31%	0.31	S	S	*	.			trans	-71.6	70.2	173.6	30.2	-34.1	0	0	0	110.1
170	Q	68.8	Low	88.2	Confident	58 Å²	58	59.2 Å²	59.2	27%	0.271	33%	0.326	S	S	.	.			trans	-107	157.5	177.9	-60.6	-176.9	38.3	0	0	109.8	H168 L172 T215	H168-Q170 HydrophobicContact CB-CG 3.7Å; H168-Q170 VanDerWaalsContact CB-NE2 3.33Å; H168-Q170 PolarHBondContact O-N 2.91Å; Q170-L172 PolarHBondContact O-N 2.82Å; Q170-T215 HydrophobicContact CB-CG2 4.13Å; Q170-T215 PolarHBondContact OE1-OG1 3.42Å
171	S	83.6	Confident	88.1	Confident	94 Å²	94	65 Å²	65	66%	0.657	35%	0.352	S	S	*	.			trans	-74.4	121.1	174.4	-175	0	0	0	0	109.6
172	L	91.9	Very high	88.1	Confident	30 Å²	30	67.1 Å²	67.1	16%	0.157	36%	0.361	C	S	.	.			trans	-85.6	145.6	174	-62.7	177.1	0	0	0	111.5	P141 D166 Q170 F174 V212 D214	P141-L172 HydrophobicContact CB-CD2 4.02Å; D166-L172 HydrophobicContact CB-CD2 3.99Å; Q170-L172 PolarHBondContact O-N 2.82Å; L172-F174 HydrophobicContact CB-CE2 3.83Å; L172-F174 HydrophobicContact CB-CZ 3.78Å; L172-F174 HydrophobicContact CD1-CZ 4.37Å; L172-F174 WeakPolarHBondContact O-CE2 2.94Å; L172-V212 HydrophobicContact CB-CG1 4Å; L172-V212 HydrophobicContact CD1-CG1 3.96Å; L172-V212 HydrophobicContact CD2-CG1 4.06Å; L172-V212 HydrophobicContact CG-CG1 4.22Å; L172-D214 HydrophobicContact CD2-CB 4.32Å
173	T	94.9	Very high	88.2	Confident	88 Å²	88	69.3 Å²	69.3	54%	0.54	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.3	171.3	-59.7	0	0	0	0	110	V212 T213	T173-V212 CarbonylContact O-C 3.53Å; T173-V212 WeakPolarHBondContact O-CA 3.47Å; T173-T213 PolarHBondContact N-O 3.08Å; T173-T213 PolarHBondContact O-N 2.61Å
174	F	96.2	Very high	88.4	Confident	44 Å²	44	74.9 Å²	74.9	19%	0.193	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.9	-175.4	-57.2	-95	0	0	0	110.6	G161 L172 D194 L210 V212	G161-F174 WeakPolarHBondContact O-CE1 3.48Å; L172-F174 HydrophobicContact CB-CE2 3.83Å; L172-F174 HydrophobicContact CB-CZ 3.78Å; L172-F174 HydrophobicContact CD1-CZ 4.37Å; L172-F174 WeakPolarHBondContact O-CE2 2.94Å; F174-D194 HydrophobicContact CD1-CB 3.72Å; F174-D194 HydrophobicContact CD2-CB 3.69Å; F174-D194 HydrophobicContact CE1-CB 3.74Å; F174-D194 HydrophobicContact CE2-CB 3.72Å; F174-D194 HydrophobicContact CG-CB 3.71Å; F174-D194 HydrophobicContact CZ-CB 3.74Å; F174-L210 HydrophobicContact CB-CD1 4.17Å; F174-L210 HydrophobicContact CD1-CD1 4.17Å; F174-V212 HydrophobicContact CD1-CG2 3.97Å; F174-V212 HydrophobicContact CE1-CG1 4.37Å; F174-V212 HydrophobicContact CE1-CG2 4.16Å
175	N	96.9	Very high	88.6	Confident	98 Å²	98	75.3 Å²	75.3	52%	0.524	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	114.4	176.7	-178.3	38	0	0	0	110.7	T211	N175-T211 PolarHBondContact N-O 2.9Å; N175-T211 PolarHBondContact O-N 2.91Å
176	W	97.3	Very high	89.1	Confident	35 Å²	35	74.3 Å²	74.3	13%	0.133	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134	178.4	-74.7	97.4	0	0	0	111.4	A145 L159 D194 I196 F208 S209 L210 I224	A145-W176 HydrophobicContact CB-CH2 3.61Å; A145-W176 HydrophobicContact CB-CZ3 4.07Å; L159-W176 HydrophobicContact CB-CE3 4.41Å; L159-W176 HydrophobicContact CB-CH2 3.66Å; L159-W176 HydrophobicContact CB-CZ2 3.92Å; L159-W176 HydrophobicContact CB-CZ3 3.93Å; L159-W176 HydrophobicContact CD1-CE3 4.24Å; L159-W176 HydrophobicContact CD1-CZ3 4Å; W176-D194 PolarHBondContact NE1-O 3.31Å; W176-D194 VanDerWaalsContact NE1-O 3.08Å; W176-I196 HydrophobicContact CB-CD1 3.54Å; W176-I196 HydrophobicContact CB-CG1 4.22Å; W176-I196 HydrophobicContact CB-CG2 4.2Å; W176-I196 HydrophobicContact CD2-CD1 3.88Å; W176-I196 HydrophobicContact CD2-CG1 4Å; W176-I196 HydrophobicContact CE3-CD1 4.16Å; W176-I196 HydrophobicContact CG-CD1 3.64Å; W176-I196 HydrophobicContact CG-CG1 3.84Å; W176-I196 HydrophobicContact CG-CG2 4.07Å; W176-F208 HydrophobicContact CE3-CB 4.21Å; W176-F208 HydrophobicContact CZ3-CB 4.2Å; W176-S209 CarbonylContact C-O 3.59Å; W176-S209 WeakPolarHBondContact CA-O 3.45Å; W176-L210 HydrophobicContact CD2-CB 4.22Å; W176-L210 HydrophobicContact CD2-CD1 4.02Å; W176-L210 HydrophobicContact CE3-CB 4.02Å; W176-L210 HydrophobicContact CG-CD1 4.25Å; W176-L210 HydrophobicContact CH2-CB 3.97Å; W176-L210 HydrophobicContact CH2-CD2 4.28Å; W176-L210 HydrophobicContact CZ2-CB 4.15Å; W176-L210 HydrophobicContact CZ2-CD1 4.13Å; W176-L210 HydrophobicContact CZ2-CD2 3.94Å; W176-L210 HydrophobicContact CZ2-CG 4.29Å; W176-L210 HydrophobicContact CZ3-CB 3.89Å; W176-I224 HydrophobicContact CH2-CG2 4.26Å; W176-I224 HydrophobicContact CZ3-CG2 3.77Å
177	A	96.1	Very high	89.7	Confident	47 Å²	47	76.7 Å²	76.7	39%	0.388	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.7	175.9	0	0	0	0	0	111.5	V179 F208 S209	A177-V179 PolarHBondContact O-N 3.28Å; A177-F208 CarbonylContact O-C 3.57Å; A177-F208 WeakPolarHBondContact O-CA 3.25Å; A177-S209 PolarHBondContact N-O 3.3Å; A177-S209 PolarHBondContact O-N 2.98Å
178	M	95.9	Very high	90.6	Very high	40 Å²	40	78.3 Å²	78.3	20%	0.197	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.4	170	177.1	178.1	-82	0	0	109.5	T180 A185 I187 V198 L201 F208	M178-T180 WeakPolarHBondContact CG-O 3.44Å; M178-A185 HydrophobicContact CE-CB 3.43Å; M178-A185 VanDerWaalsContact CE-CB 3.43Å; M178-A185 HydrophobicContact SD-CB 4.21Å; M178-I187 HydrophobicContact CB-CD1 4.25Å; M178-I187 HydrophobicContact CE-CD1 4.34Å; M178-V198 HydrophobicContact CE-CG1 4.5Å; M178-L201 HydrophobicContact CE-CD2 4.38Å; M178-F208 HydrophobicContact CB-CD1 4.08Å; M178-F208 HydrophobicContact CB-CE1 3.99Å; M178-F208 HydrophobicContact CE-CE1 3.39Å; M178-F208 HydrophobicContact CE-CZ 3.4Å; M178-F208 VanDerWaalsContact CE-CZ 3.4Å; M178-F208 HydrophobicContact CG-CE1 4.16Å
179	V	96.9	Very high	91.7	Very high	79 Å²	79	83.7 Å²	83.7	48%	0.479	45%	0.449	S	S	.	.	S	Bend	trans	-85.1	-42.4	179.1	-177.4	0	0	0	0	110.5	A177 I181 K207	A177-V179 PolarHBondContact O-N 3.28Å; V179-I181 PolarHBondContact O-N 2.79Å; V179-K207 WeakPolarHBondContact CA-O 3.35Å; V179-K207 HydrophobicContact CB-CB 4.11Å; V179-K207 HydrophobicContact CB-CD 4.29Å; V179-K207 HydrophobicContact CB-CG 4.1Å; V179-K207 WeakPolarHBondContact CB-O 3.5Å; V179-K207 HydrophobicContact CG1-CD 4.21Å; V179-K207 HydrophobicContact CG2-CG 4.32Å; V179-K207 PolarHBondContact N-O 3.01Å
180	T	95.1	Very high	93.2	Very high	54 Å²	54	78.3 Å²	78.3	33%	0.331	41%	0.414	S	S	.	.	S	Bend	trans	-81.9	97.7	173	-55.8	0	0	0	0	109.3	M178 Y182 Y206 K207	M178-T180 WeakPolarHBondContact CG-O 3.44Å; T180-Y182 PolarHBondContact O-N 2.76Å; T180-Y182 VanDerWaalsContact O-N 3.16Å; T180-Y206 HydrophobicContact CG2-CD1 4.28Å; T180-K207 PolarHBondContact N-O 2.82Å; T180-K207 PolarHBondContact OG1-N 2.83Å
181	I	91.3	Very high	94.3	Very high	156 Å²	156	81.7 Å²	81.7	80%	0.8	44%	0.44	S	S	*	.			trans	-60.5	118.6	-176.1	-57.8	171.9	0	0	0	110.6	V179	V179-I181 PolarHBondContact O-N 2.79Å
182	Y	94.4	Very high	94.8	Very high	45 Å²	45	81.1 Å²	81.1	18%	0.176	43%	0.425	C	S	.	.			trans	-138.5	109.1	172.9	179.1	-110.1	0	0	0	109.9	T180 Y184 A185 N200 L201 T202 Y206	T180-Y182 PolarHBondContact O-N 2.76Å; T180-Y182 VanDerWaalsContact O-N 3.16Å; Y182-Y184 HydrophobicContact CD2-CD2 4.33Å; Y182-Y184 HydrophobicContact CE1-CD2 4.35Å; Y182-Y184 AromaticContact CE2-CD2 3.66Å; Y182-Y184 HydrophobicContact CE2-CD2 3.66Å; Y182-Y184 HydrophobicContact CE2-CE2 4.49Å; Y182-Y184 AromaticContact CZ-CD2 3.67Å; Y182-Y184 PolarHBondContact O-N 3.49Å; Y182-Y184 VanDerWaalsContact O-N 3.15Å; Y182-A185 HydrophobicContact CD1-CB 3.84Å; Y182-A185 PolarHBondContact O-N 3.17Å; Y182-N200 WeakPolarHBondContact CE1-O 3.46Å; Y182-L201 HydrophobicContact CD1-CD2 4.2Å; Y182-T202 WeakPolarHBondContact OH-CG2 3.33Å; Y182-T202 PolarHBondContact OH-OG1 3.35Å; Y182-Y206 AromaticContact CD1-CE1 3.96Å; Y182-Y206 HydrophobicContact CD1-CE1 3.96Å; Y182-Y206 HydrophobicContact CD2-CE1 4.17Å; Y182-Y206 AromaticContact CG-CE1 3.68Å; Y182-Y206 HydrophobicContact CG-CE1 3.68Å
183	P	92.5	Very high	94.8	Very high	107 Å²	107	84.8 Å²	84.8	70%	0.695	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.4	-166.3	28.2	-35.8	0	0	0	114.3
184	Y	93.9	Very high	94.8	Very high	154 Å²	154	81 Å²	81	60%	0.604	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-6.8	-179.1	-48.4	-74.1	0	0	0	113.1	Y182 I186 N200	Y182-Y184 HydrophobicContact CD2-CD2 4.33Å; Y182-Y184 HydrophobicContact CE1-CD2 4.35Å; Y182-Y184 AromaticContact CE2-CD2 3.66Å; Y182-Y184 HydrophobicContact CE2-CD2 3.66Å; Y182-Y184 HydrophobicContact CE2-CE2 4.49Å; Y182-Y184 AromaticContact CZ-CD2 3.67Å; Y182-Y184 PolarHBondContact O-N 3.49Å; Y182-Y184 VanDerWaalsContact O-N 3.15Å; Y184-I186 PolarHBondContact O-N 2.81Å; Y184-N200 PolarHBondContact O-ND2 3.38Å
185	A	94.5	Very high	94.7	Very high	21 Å²	21	80.3 Å²	80.3	17%	0.174	43%	0.425	C	S	.	.			trans	-63.9	135.5	174.7	0	0	0	0	0	110.5	M178 Y182 V198 L201	M178-A185 HydrophobicContact CE-CB 3.43Å; M178-A185 VanDerWaalsContact CE-CB 3.43Å; M178-A185 HydrophobicContact SD-CB 4.21Å; Y182-A185 HydrophobicContact CD1-CB 3.84Å; Y182-A185 PolarHBondContact O-N 3.17Å; A185-V198 HydrophobicContact CB-CG1 4.36Å; A185-L201 HydrophobicContact CB-CD2 3.85Å
186	I	95.6	Very high	94.7	Very high	78 Å²	78	76.4 Å²	76.4	40%	0.4	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.5	173	-58	172.9	0	0	0	106.6	Y184 E188 V198 S199 N200	Y184-I186 PolarHBondContact O-N 2.81Å; I186-E188 HydrophobicContact CG2-CG 3.99Å; I186-V198 CarbonylContact O-C 3.6Å; I186-V198 WeakPolarHBondContact O-CA 3.4Å; I186-S199 PolarHBondContact N-O 2.78Å; I186-S199 PolarHBondContact O-N 2.71Å; I186-N200 HydrophobicContact CD1-CB 4.02Å; I186-N200 HydrophobicContact CG1-CB 4.1Å
187	I	96	Very high	94.7	Very high	82 Å²	82	77.1 Å²	77.1	42%	0.421	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.8	179.5	-54.8	175.6	0	0	0	108	M178 I196 I197 V198 F208	M178-I187 HydrophobicContact CB-CD1 4.25Å; M178-I187 HydrophobicContact CE-CD1 4.34Å; I187-I196 HydrophobicContact CG2-CB 4.22Å; I187-I196 HydrophobicContact CG2-CD1 3.91Å; I187-I196 HydrophobicContact CG2-CG2 4.49Å; I187-I197 WeakPolarHBondContact CA-O 3.03Å; I187-V198 HydrophobicContact CG1-CG1 4.19Å; I187-V198 HydrophobicContact CG1-CG2 4.26Å; I187-V198 HydrophobicContact CG2-CG2 4.45Å; I187-F208 HydrophobicContact CD1-CE1 4.47Å
188	E	96.5	Very high	94.8	Very high	110 Å²	110	74.9 Å²	74.9	51%	0.514	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	148.1	-179.6	-60.7	-177	152.7	0	0	110.2	I186 I196 I197	I186-E188 HydrophobicContact CG2-CG 3.99Å; E188-I196 WeakPolarHBondContact O-CA 3.18Å; E188-I197 PolarHBondContact N-O 3.33Å; E188-I197 PolarHBondContact O-N 2.96Å
189	K	94.3	Very high	94.7	Very high	195 Å²	195	74.3 Å²	74.3	85%	0.848	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	137.9	172.1	-67.8	-173.5	175.1	-172.5	0	109.5
190	S	93.8	Very high	94.6	Very high	29 Å²	29	74.5 Å²	74.5	20%	0.203	39%	0.389	C	S	.	.			trans	-75.9	179.3	170.6	-177.2	0	0	0	0	110.9	F192 E195	S190-F192 PolarHBondContact O-N 3.17Å; S190-E195 WeakPolarHBondContact CB-O 3.43Å; S190-E195 PolarHBondContact N-O 3.33Å; S190-E195 PolarHBondContact OG-OE2 3.34Å
191	T	93.1	Very high	94.6	Very high	130 Å²	130	72.1 Å²	72.1	80%	0.798	38%	0.375	S	S	*	.	S	Bend	trans	-65.6	-21.7	165.7	49.9	0	0	0	0	112.4
192	F	93.2	Very high	94.7	Very high	81 Å²	81	67.9 Å²	67.9	36%	0.355	36%	0.356	S	S	.	.	S	Bend	trans	-100.4	138.1	179.1	-57.8	-75	0	0	0	111.3	S190 D194 E195 R375	S190-F192 PolarHBondContact O-N 3.17Å; F192-D194 PolarHBondContact O-N 3.31Å; F192-E195 HydrophobicContact CB-CB 4.22Å; F192-E195 HydrophobicContact CB-CG 4.36Å; F192-E195 WeakPolarHBondContact CD2-OE2 3.42Å; F192-E195 PolarHBondContact O-N 2.93Å; F192-R375 VanDerWaalsContact CB-NH2 3.34Å; F192-R375 VanDerWaalsContact CD1-CZ 3.46Å; F192-R375 VanDerWaalsContact CD1-NH1 3.29Å; F192-R375 VanDerWaalsContact CE1-CD 3.49Å; F192-R375 VanDerWaalsContact CZ-CD 3.48Å
193	P	92.9	Very high	94.7	Very high	107 Å²	107	68.8 Å²	68.8	70%	0.695	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.6	-176.3	28.2	-35.3	0	0	0	113.3
194	D	93.6	Very high	94.8	Very high	8 Å²	8	64.9 Å²	64.9	4%	0.043	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.8	179.4	63.8	-80.9	0	0	0	113.5	S160 G161 F162 F174 W176 F192 R375	S160-D194 PolarHBondContact OG-OD2 2.01Å; G161-D194 PolarHBondContact N-O 3.11Å; F162-D194 WeakPolarHBondContact CA-OD2 3.49Å; F162-D194 WeakPolarHBondContact CB-OD2 3.26Å; F162-D194 PolarHBondContact N-OD2 3.43Å; F174-D194 HydrophobicContact CD1-CB 3.72Å; F174-D194 HydrophobicContact CD2-CB 3.69Å; F174-D194 HydrophobicContact CE1-CB 3.74Å; F174-D194 HydrophobicContact CE2-CB 3.72Å; F174-D194 HydrophobicContact CG-CB 3.71Å; F174-D194 HydrophobicContact CZ-CB 3.74Å; W176-D194 PolarHBondContact NE1-O 3.31Å; W176-D194 VanDerWaalsContact NE1-O 3.08Å; F192-D194 PolarHBondContact O-N 3.31Å; D194-R375 IonicContact OD1-CZ 3.32Å; D194-R375 IonicContact OD1-NH1 3.28Å; D194-R375 PolarHBondContact OD1-NH1 3.4Å; D194-R375 IonicContact OD1-NH2 2.83Å; D194-R375 PolarHBondContact OD1-NH2 3.4Å; D194-R375 IonicContact OD2-CZ 3.12Å; D194-R375 IonicContact OD2-NH1 3.91Å; D194-R375 IonicContact OD2-NH2 3.96Å; D194-R375 PolarHBondContact OD2-NH2 3.17Å
195	E	95.7	Very high	94.8	Very high	31 Å²	31	64 Å²	64	15%	0.145	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.8	-174.9	-82.3	176.1	-160.4	0	0	114.1	T158 L159 S190 F192 R375	T158-E195 HydrophobicContact CG2-CG 4.31Å; L159-E195 VanDerWaalsContact O-CA 3.28Å; L159-E195 WeakPolarHBondContact O-CA 3.39Å; S190-E195 WeakPolarHBondContact CB-O 3.43Å; S190-E195 PolarHBondContact N-O 3.33Å; S190-E195 PolarHBondContact OG-OE2 3.34Å; F192-E195 HydrophobicContact CB-CB 4.22Å; F192-E195 HydrophobicContact CB-CG 4.36Å; F192-E195 WeakPolarHBondContact CD2-OE2 3.42Å; F192-E195 PolarHBondContact O-N 2.93Å; E195-R375 VanDerWaalsContact CD-NH2 3.26Å; E195-R375 IonicContact OE1-CZ 3.01Å; E195-R375 IonicContact OE1-NE 2.94Å; E195-R375 PolarHBondContact OE1-NE 2.61Å; E195-R375 IonicContact OE1-NH2 3.79Å; E195-R375 PolarHBondContact OE1-NH2 2.78Å
196	I	97.1	Very high	94.9	Very high	15 Å²	15	63.5 Å²	63.5	8%	0.077	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150	167.6	59	163.6	0	0	0	110.8	T158 L159 W176 I187 E188 V198	T158-I196 WeakPolarHBondContact CA-O 3.45Å; L159-I196 HydrophobicContact CB-CD1 4.5Å; L159-I196 HydrophobicContact CB-CG1 3.92Å; L159-I196 HydrophobicContact CD1-CD1 4.01Å; L159-I196 HydrophobicContact CD1-CG1 4.3Å; L159-I196 HydrophobicContact CG-CG1 4.38Å; L159-I196 PolarHBondContact N-O 3.36Å; L159-I196 PolarHBondContact O-N 2.78Å; W176-I196 HydrophobicContact CB-CD1 3.54Å; W176-I196 HydrophobicContact CB-CG1 4.22Å; W176-I196 HydrophobicContact CB-CG2 4.2Å; W176-I196 HydrophobicContact CD2-CD1 3.88Å; W176-I196 HydrophobicContact CD2-CG1 4Å; W176-I196 HydrophobicContact CE3-CD1 4.16Å; W176-I196 HydrophobicContact CG-CD1 3.64Å; W176-I196 HydrophobicContact CG-CG1 3.84Å; W176-I196 HydrophobicContact CG-CG2 4.07Å; I187-I196 HydrophobicContact CG2-CB 4.22Å; I187-I196 HydrophobicContact CG2-CD1 3.91Å; I187-I196 HydrophobicContact CG2-CG2 4.49Å; E188-I196 WeakPolarHBondContact O-CA 3.18Å; I196-V198 HydrophobicContact CD1-CG2 3.96Å; I196-V198 HydrophobicContact CG1-CG2 4.43Å
197	I	97.1	Very high	95	Very high	50 Å²	50	63.7 Å²	63.7	26%	0.256	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.6	173.7	-57.2	171.2	0	0	0	107.3	V157 I187 E188	V157-I197 CarbonylContact O-C 3.56Å; V157-I197 WeakPolarHBondContact O-CA 3.25Å; I187-I197 WeakPolarHBondContact CA-O 3.03Å; E188-I197 PolarHBondContact N-O 3.33Å; E188-I197 PolarHBondContact O-N 2.96Å
198	V	96.6	Very high	95.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.5	177.5	-170.1	0	0	0	0	109.3	S156 V157 L159 M178 A185 I186 I187 I196 L201 F208	S156-V198 CarbonylContact C-O 3.59Å; S156-V198 WeakPolarHBondContact CA-O 3.41Å; V157-V198 HydrophobicContact CG2-CB 3.7Å; V157-V198 HydrophobicContact CG2-CG2 4.38Å; V157-V198 PolarHBondContact N-O 3.31Å; V157-V198 PolarHBondContact O-N 2.88Å; L159-V198 HydrophobicContact CD1-CG2 4.11Å; L159-V198 HydrophobicContact CG-CG2 4.5Å; M178-V198 HydrophobicContact CE-CG1 4.5Å; A185-V198 HydrophobicContact CB-CG1 4.36Å; I186-V198 CarbonylContact O-C 3.6Å; I186-V198 WeakPolarHBondContact O-CA 3.4Å; I187-V198 HydrophobicContact CG1-CG1 4.19Å; I187-V198 HydrophobicContact CG1-CG2 4.26Å; I187-V198 HydrophobicContact CG2-CG2 4.45Å; I196-V198 HydrophobicContact CD1-CG2 3.96Å; I196-V198 HydrophobicContact CG1-CG2 4.43Å; V198-L201 HydrophobicContact CG1-CD1 4.09Å; V198-L201 HydrophobicContact CG1-CD2 4.01Å; V198-L201 HydrophobicContact CG1-CG 4.13Å; V198-F208 HydrophobicContact CB-CZ 4.38Å; V198-F208 HydrophobicContact CG1-CE1 4.19Å; V198-F208 HydrophobicContact CG1-CZ 3.91Å; V198-F208 HydrophobicContact CG2-CE1 3.81Å; V198-F208 HydrophobicContact CG2-CZ 4.05Å
199	S	95.3	Very high	95.1	Very high	28 Å²	28	55.7 Å²	55.7	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	177.7	179.7	66.2	0	0	0	0	111.8	I186 L201	I186-S199 PolarHBondContact N-O 2.78Å; I186-S199 PolarHBondContact O-N 2.71Å; S199-L201 VanDerWaalsContact C-N 3.25Å; S199-L201 PolarHBondContact O-N 3.04Å
200	N	94.3	Very high	95.2	Very high	84 Å²	84	46.4 Å²	46.4	45%	0.449	26%	0.262	S	S	.	.			trans	60.8	30.2	-179	-161.5	39.4	0	0	0	114.3	Y182 Y184 I186	Y182-N200 WeakPolarHBondContact CE1-O 3.46Å; Y184-N200 PolarHBondContact O-ND2 3.38Å; I186-N200 HydrophobicContact CD1-CB 4.02Å; I186-N200 HydrophobicContact CG1-CB 4.1Å
201	L	94.1	Very high	95.4	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-78.9	140.5	173.2	-58.6	177.2	0	0	0	110.5	V157 M178 Y182 A185 V198 S199 Y206 V226 V228	V157-L201 HydrophobicContact CG2-CD1 4.22Å; M178-L201 HydrophobicContact CE-CD2 4.38Å; Y182-L201 HydrophobicContact CD1-CD2 4.2Å; A185-L201 HydrophobicContact CB-CD2 3.85Å; V198-L201 HydrophobicContact CG1-CD1 4.09Å; V198-L201 HydrophobicContact CG1-CD2 4.01Å; V198-L201 HydrophobicContact CG1-CG 4.13Å; S199-L201 VanDerWaalsContact C-N 3.25Å; S199-L201 PolarHBondContact O-N 3.04Å; L201-Y206 HydrophobicContact CB-CD2 4.48Å; L201-Y206 HydrophobicContact CB-CE2 3.89Å; L201-Y206 HydrophobicContact CD1-CD2 4.12Å; L201-Y206 HydrophobicContact CD1-CE2 4.36Å; L201-Y206 HydrophobicContact CD2-CD1 4.28Å; L201-Y206 HydrophobicContact CD2-CD2 4.19Å; L201-Y206 HydrophobicContact CD2-CE1 4.17Å; L201-Y206 HydrophobicContact CD2-CE2 4.06Å; L201-Y206 HydrophobicContact CD2-CG 4.28Å; L201-Y206 HydrophobicContact CG-CE2 4.33Å; L201-V226 HydrophobicContact CD1-CG1 4.05Å; L201-V228 HydrophobicContact CB-CG2 3.73Å; L201-V228 HydrophobicContact CD1-CG2 4.04Å
202	T	94	Very high	95.5	Very high	67 Å²	67	40.5 Å²	40.5	41%	0.411	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-99.3	170.2	171.7	46.9	0	0	0	0	109.7	Y182 G204 Y206 V228	Y182-T202 WeakPolarHBondContact OH-CG2 3.33Å; Y182-T202 PolarHBondContact OH-OG1 3.35Å; T202-G204 PolarHBondContact O-N 3.2Å; T202-Y206 PolarHBondContact N-OH 3.04Å; T202-Y206 VanDerWaalsContact O-CE2 3.26Å; T202-Y206 WeakPolarHBondContact O-CE2 3.06Å; T202-Y206 PolarHBondContact O-OH 3.2Å; T202-Y206 PolarHBondContact OG1-OH 3.35Å; T202-V228 VanDerWaalsContact O-CB 3.27Å; T202-V228 WeakPolarHBondContact O-CB 3.39Å; T202-V228 WeakPolarHBondContact O-CG1 3.43Å
203	S	94.6	Very high	95.6	Very high	64 Å²	64	38.6 Å²	38.6	45%	0.448	22%	0.219	S	C	.	.	S	Bend	trans	-55.9	125.1	179.1	54.7	0	0	0	0	111.2	V228	S203-V228 CarbonylContact C-O 3.49Å; S203-V228 WeakPolarHBondContact CA-O 3.41Å
204	G	94.4	Very high	95.6	Very high	24 Å²	24	33.8 Å²	33.8	25%	0.247	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.7	171.7	-174	0	0	0	0	0	113.1	T202 V228	T202-G204 PolarHBondContact O-N 3.2Å; G204-V228 PolarHBondContact N-O 2.66Å; G204-V228 PolarHBondContact O-N 3.34Å
205	K	95.3	Very high	95.4	Very high	136 Å²	136	38.3 Å²	38.3	59%	0.591	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.7	179	-168.7	174.1	-174.8	169.1	0	110.5	L227	K205-L227 HydrophobicContact CB-CD1 4.29Å
206	Y	96.6	Very high	95.1	Very high	11 Å²	11	40 Å²	40	4%	0.043	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.8	179.6	-55.2	-83.9	0	0	0	110.4	T180 Y182 L201 T202 N225 V226 V228	T180-Y206 HydrophobicContact CG2-CD1 4.28Å; Y182-Y206 AromaticContact CD1-CE1 3.96Å; Y182-Y206 HydrophobicContact CD1-CE1 3.96Å; Y182-Y206 HydrophobicContact CD2-CE1 4.17Å; Y182-Y206 AromaticContact CG-CE1 3.68Å; Y182-Y206 HydrophobicContact CG-CE1 3.68Å; L201-Y206 HydrophobicContact CB-CD2 4.48Å; L201-Y206 HydrophobicContact CB-CE2 3.89Å; L201-Y206 HydrophobicContact CD1-CD2 4.12Å; L201-Y206 HydrophobicContact CD1-CE2 4.36Å; L201-Y206 HydrophobicContact CD2-CD1 4.28Å; L201-Y206 HydrophobicContact CD2-CD2 4.19Å; L201-Y206 HydrophobicContact CD2-CE1 4.17Å; L201-Y206 HydrophobicContact CD2-CE2 4.06Å; L201-Y206 HydrophobicContact CD2-CG 4.28Å; L201-Y206 HydrophobicContact CG-CE2 4.33Å; T202-Y206 PolarHBondContact N-OH 3.04Å; T202-Y206 VanDerWaalsContact O-CE2 3.26Å; T202-Y206 WeakPolarHBondContact O-CE2 3.06Å; T202-Y206 PolarHBondContact O-OH 3.2Å; T202-Y206 PolarHBondContact OG1-OH 3.35Å; Y206-N225 CarbonylContact O-C 3.6Å; Y206-N225 WeakPolarHBondContact O-CA 3.37Å; Y206-V226 PolarHBondContact N-O 2.91Å; Y206-V226 PolarHBondContact O-N 3.19Å; Y206-V228 HydrophobicContact CD2-CG2 3.98Å; Y206-V228 HydrophobicContact CE2-CB 4.28Å; Y206-V228 HydrophobicContact CE2-CG2 3.72Å
207	K	97	Very high	94.8	Very high	81 Å²	81	41.9 Å²	41.9	35%	0.352	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134	175.8	-174.5	179.6	-63.3	-174.1	0	109.6	V179 T180 T223 I224	V179-K207 WeakPolarHBondContact CA-O 3.35Å; V179-K207 HydrophobicContact CB-CB 4.11Å; V179-K207 HydrophobicContact CB-CD 4.29Å; V179-K207 HydrophobicContact CB-CG 4.1Å; V179-K207 WeakPolarHBondContact CB-O 3.5Å; V179-K207 HydrophobicContact CG1-CD 4.21Å; V179-K207 HydrophobicContact CG2-CG 4.32Å; V179-K207 PolarHBondContact N-O 3.01Å; T180-K207 PolarHBondContact N-O 2.82Å; T180-K207 PolarHBondContact OG1-N 2.83Å; K207-T223 HydrophobicContact CD-CG2 4.4Å; K207-I224 WeakPolarHBondContact CA-O 3.33Å
208	F	97.1	Very high	94.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.5	174.1	-59.7	-98.1	0	0	0	109.3	L159 W176 A177 M178 I187 V198 T223 I224 V226	L159-F208 HydrophobicContact CD1-CB 3.89Å; L159-F208 HydrophobicContact CD1-CD1 3.8Å; L159-F208 HydrophobicContact CD1-CD2 3.74Å; L159-F208 HydrophobicContact CD1-CE1 4.25Å; L159-F208 HydrophobicContact CD1-CE2 4.22Å; L159-F208 HydrophobicContact CD1-CG 3.53Å; L159-F208 HydrophobicContact CD1-CZ 4.45Å; W176-F208 HydrophobicContact CE3-CB 4.21Å; W176-F208 HydrophobicContact CZ3-CB 4.2Å; A177-F208 CarbonylContact O-C 3.57Å; A177-F208 WeakPolarHBondContact O-CA 3.25Å; M178-F208 HydrophobicContact CB-CD1 4.08Å; M178-F208 HydrophobicContact CB-CE1 3.99Å; M178-F208 HydrophobicContact CE-CE1 3.39Å; M178-F208 HydrophobicContact CE-CZ 3.4Å; M178-F208 VanDerWaalsContact CE-CZ 3.4Å; M178-F208 HydrophobicContact CG-CE1 4.16Å; I187-F208 HydrophobicContact CD1-CE1 4.47Å; V198-F208 HydrophobicContact CB-CZ 4.38Å; V198-F208 HydrophobicContact CG1-CE1 4.19Å; V198-F208 HydrophobicContact CG1-CZ 3.91Å; V198-F208 HydrophobicContact CG2-CE1 3.81Å; V198-F208 HydrophobicContact CG2-CZ 4.05Å; F208-T223 CarbonylContact O-C 3.46Å; F208-T223 WeakPolarHBondContact O-CA 3.36Å; F208-T223 WeakPolarHBondContact O-CB 3.48Å; F208-I224 HydrophobicContact CB-CG2 3.8Å; F208-I224 PolarHBondContact N-O 3.4Å; F208-I224 PolarHBondContact O-N 3.19Å; F208-V226 HydrophobicContact CD2-CG2 3.85Å; F208-V226 HydrophobicContact CE2-CB 4.06Å; F208-V226 HydrophobicContact CE2-CG2 3.63Å
209	S	97.1	Very high	94.3	Very high	25 Å²	25	45.4 Å²	45.4	18%	0.175	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.8	174.8	-167.3	0	0	0	0	108.5	W176 A177 T222	W176-S209 CarbonylContact C-O 3.59Å; W176-S209 WeakPolarHBondContact CA-O 3.45Å; A177-S209 PolarHBondContact N-O 3.3Å; A177-S209 PolarHBondContact O-N 2.98Å; S209-T222 CarbonylContact C-O 3.59Å; S209-T222 WeakPolarHBondContact CA-O 2.94Å
210	L	97.3	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.2	167.4	172.5	59.7	0	0	0	107.9	D144 A145 F174 W176 V212 S221 T222	D144-L210 WeakPolarHBondContact O-CD2 3.17Å; A145-L210 HydrophobicContact CB-CB 3.98Å; A145-L210 HydrophobicContact CB-CD2 4.15Å; F174-L210 HydrophobicContact CB-CD1 4.17Å; F174-L210 HydrophobicContact CD1-CD1 4.17Å; W176-L210 HydrophobicContact CD2-CB 4.22Å; W176-L210 HydrophobicContact CD2-CD1 4.02Å; W176-L210 HydrophobicContact CE3-CB 4.02Å; W176-L210 HydrophobicContact CG-CD1 4.25Å; W176-L210 HydrophobicContact CH2-CB 3.97Å; W176-L210 HydrophobicContact CH2-CD2 4.28Å; W176-L210 HydrophobicContact CZ2-CB 4.15Å; W176-L210 HydrophobicContact CZ2-CD1 4.13Å; W176-L210 HydrophobicContact CZ2-CD2 3.94Å; W176-L210 HydrophobicContact CZ2-CG 4.29Å; W176-L210 HydrophobicContact CZ3-CB 3.89Å; L210-V212 HydrophobicContact CD1-CG2 4.18Å; L210-V212 HydrophobicContact CD2-CG2 3.95Å; L210-V212 HydrophobicContact CG-CG2 3.85Å; L210-S221 CarbonylContact O-C 3.53Å; L210-S221 WeakPolarHBondContact O-CA 3.45Å; L210-T222 HydrophobicContact CB-CG2 4.22Å; L210-T222 PolarHBondContact N-O 3.33Å; L210-T222 PolarHBondContact O-N 3.36Å
211	T	96.9	Very high	94.2	Very high	34 Å²	34	45.9 Å²	45.9	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.6	167.8	-59.8	0	0	0	0	108.7	N175 D220 S221	N175-T211 PolarHBondContact N-O 2.9Å; N175-T211 PolarHBondContact O-N 2.91Å; T211-D220 WeakPolarHBondContact CA-O 3.41Å; T211-S221 WeakPolarHBondContact CB-OG 3.1Å; T211-S221 WeakPolarHBondContact CG2-OG 3.48Å; T211-S221 PolarHBondContact OG1-OG 3.05Å
212	V	95.4	Very high	94.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.9	178.2	-176.4	0	0	0	0	108.5	P141 A143 L172 T173 F174 L210 S219 D220	P141-V212 HydrophobicContact CB-CG1 4.16Å; P141-V212 HydrophobicContact CG-CG1 4.31Å; A143-V212 HydrophobicContact CB-CB 4.06Å; A143-V212 HydrophobicContact CB-CG2 3.64Å; L172-V212 HydrophobicContact CB-CG1 4Å; L172-V212 HydrophobicContact CD1-CG1 3.96Å; L172-V212 HydrophobicContact CD2-CG1 4.06Å; L172-V212 HydrophobicContact CG-CG1 4.22Å; T173-V212 CarbonylContact O-C 3.53Å; T173-V212 WeakPolarHBondContact O-CA 3.47Å; F174-V212 HydrophobicContact CD1-CG2 3.97Å; F174-V212 HydrophobicContact CE1-CG1 4.37Å; F174-V212 HydrophobicContact CE1-CG2 4.16Å; L210-V212 HydrophobicContact CD1-CG2 4.18Å; L210-V212 HydrophobicContact CD2-CG2 3.95Å; L210-V212 HydrophobicContact CG-CG2 3.85Å; V212-S219 WeakPolarHBondContact O-CA 3.38Å; V212-S219 WeakPolarHBondContact O-CB 2.98Å; V212-D220 PolarHBondContact N-O 3Å; V212-D220 PolarHBondContact O-N 2.85Å; V212-D220 VanDerWaalsContact O-N 3.1Å
213	T	94.4	Very high	94.1	Very high	41 Å²	41	46.1 Å²	46.1	25%	0.252	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.9	-178	-50.7	0	0	0	0	110.5	T173 Q218	T173-T213 PolarHBondContact N-O 3.08Å; T173-T213 PolarHBondContact O-N 2.61Å; T213-Q218 VanDerWaalsContact CA-O 3.29Å; T213-Q218 WeakPolarHBondContact CA-O 3.38Å; T213-Q218 WeakPolarHBondContact CG2-O 3.28Å
214	D	92.9	Very high	94.1	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.037	27%	0.267	C	S	.	.			trans	-81.4	-178.5	175.8	69.5	18.3	0	0	0	111.9	P141 L172 A216 G217 Q218	P141-D214 HydrophobicContact CG-CB 4.32Å; L172-D214 HydrophobicContact CD2-CB 4.32Å; D214-A216 VanDerWaalsContact C-N 3.31Å; D214-A216 VanDerWaalsContact OD1-C 3.25Å; D214-A216 VanDerWaalsContact OD1-CA 3.31Å; D214-A216 WeakPolarHBondContact OD1-CA 3.26Å; D214-A216 WeakPolarHBondContact OD1-CB 3.39Å; D214-A216 PolarHBondContact OD1-N 3.46Å; D214-G217 PolarHBondContact O-N 3.01Å; D214-G217 PolarHBondContact OD1-N 3.37Å; D214-Q218 PolarHBondContact N-O 2.71Å; D214-Q218 PolarHBondContact OD1-N 3.33Å; D214-Q218 WeakPolarHBondContact OD2-CB 3.4Å; D214-Q218 WeakPolarHBondContact OD2-CG 3.15Å; D214-Q218 PolarHBondContact OD2-NE2 2.96Å
215	T	90.1	Very high	94.2	Very high	102 Å²	102	42.9 Å²	42.9	63%	0.626	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-14.1	178.3	78.1	0	0	0	0	113.6	Q170 G217	Q170-T215 HydrophobicContact CB-CG2 4.13Å; Q170-T215 PolarHBondContact OE1-OG1 3.42Å; T215-G217 VanDerWaalsContact C-N 3.3Å
216	A	89.6	Confident	94.2	Very high	67 Å²	67	36.4 Å²	36.4	55%	0.554	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.8	172.2	0	0	0	0	0	113	D138 D214 Q218	D138-A216 WeakPolarHBondContact OD2-CB 3.35Å; D214-A216 VanDerWaalsContact C-N 3.31Å; D214-A216 VanDerWaalsContact OD1-C 3.25Å; D214-A216 VanDerWaalsContact OD1-CA 3.31Å; D214-A216 WeakPolarHBondContact OD1-CA 3.26Å; D214-A216 WeakPolarHBondContact OD1-CB 3.39Å; D214-A216 PolarHBondContact OD1-N 3.46Å; A216-Q218 HydrophobicContact CB-CG 4.41Å
217	G	90.1	Very high	94.2	Very high	55 Å²	55	37.4 Å²	37.4	57%	0.567	24%	0.238	S	C	*	.	S	Bend	trans	85	10.6	-178.5	0	0	0	0	0	114.4	D214 T215	D214-G217 PolarHBondContact O-N 3.01Å; D214-G217 PolarHBondContact OD1-N 3.37Å; T215-G217 VanDerWaalsContact C-N 3.3Å
218	Q	91.5	Very high	94.2	Very high	57 Å²	57	33.6 Å²	33.6	27%	0.266	22%	0.221	S	C	.	.			trans	-79	150.8	170.6	-43.2	177.8	89.2	0	0	109.4	D138 S139 P140 T213 D214 A216	D138-Q218 PolarHBondContact O-NE2 2.03Å; D138-Q218 PolarHBondContact O-OE1 3.29Å; D138-Q218 PolarHBondContact OD2-NE2 2.96Å; S139-Q218 PolarHBondContact O-NE2 3.27Å; S139-Q218 VanDerWaalsContact O-NE2 3.15Å; P140-Q218 HydrophobicContact CB-CB 4.03Å; P140-Q218 HydrophobicContact CG-CB 4.33Å; T213-Q218 VanDerWaalsContact CA-O 3.29Å; T213-Q218 WeakPolarHBondContact CA-O 3.38Å; T213-Q218 WeakPolarHBondContact CG2-O 3.28Å; D214-Q218 PolarHBondContact N-O 2.71Å; D214-Q218 PolarHBondContact OD1-N 3.33Å; D214-Q218 WeakPolarHBondContact OD2-CB 3.4Å; D214-Q218 WeakPolarHBondContact OD2-CG 3.15Å; D214-Q218 PolarHBondContact OD2-NE2 2.96Å; A216-Q218 HydrophobicContact CB-CG 4.41Å
219	S	93.4	Very high	94	Very high	66 Å²	66	33.6 Å²	33.6	46%	0.462	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	153	-176.7	58.4	0	0	0	0	112.5	V212	V212-S219 WeakPolarHBondContact O-CA 3.38Å; V212-S219 WeakPolarHBondContact O-CB 2.98Å
220	D	92.7	Very high	93.8	Very high	63 Å²	63	34.7 Å²	34.7	34%	0.337	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	159.6	168.9	-176.4	37.9	0	0	0	109.6	P141 A143 T211 V212	P141-D220 WeakPolarHBondContact O-CB 3.35Å; A143-D220 HydrophobicContact CB-CB 4.12Å; A143-D220 PolarHBondContact N-OD2 2.75Å; T211-D220 WeakPolarHBondContact CA-O 3.41Å; V212-D220 PolarHBondContact N-O 3Å; V212-D220 PolarHBondContact O-N 2.85Å; V212-D220 VanDerWaalsContact O-N 3.1Å
221	S	93.6	Very high	93.4	Very high	60 Å²	60	38.4 Å²	38.4	42%	0.42	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	136.5	-179	-63	0	0	0	0	112.5	L210 T211	L210-S221 CarbonylContact O-C 3.53Å; L210-S221 WeakPolarHBondContact O-CA 3.45Å; T211-S221 WeakPolarHBondContact CB-OG 3.1Å; T211-S221 WeakPolarHBondContact CG2-OG 3.48Å; T211-S221 PolarHBondContact OG1-OG 3.05Å
222	T	93	Very high	92.9	Very high	29 Å²	29	42.9 Å²	42.9	18%	0.178	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	166.1	178.4	-172.3	0	0	0	0	111.1	A143 A145 S209 L210	A143-T222 HydrophobicContact CB-CG2 3.9Å; A143-T222 WeakPolarHBondContact O-CB 3.19Å; A143-T222 VanDerWaalsContact O-CG2 3.26Å; A143-T222 WeakPolarHBondContact O-CG2 3.49Å; A145-T222 HydrophobicContact CB-CG2 3.55Å; S209-T222 CarbonylContact C-O 3.59Å; S209-T222 WeakPolarHBondContact CA-O 2.94Å; L210-T222 HydrophobicContact CB-CG2 4.22Å; L210-T222 PolarHBondContact N-O 3.33Å; L210-T222 PolarHBondContact O-N 3.36Å
223	T	93.8	Very high	92.7	Very high	46 Å²	46	45.7 Å²	45.7	28%	0.282	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138	-177.8	61.6	0	0	0	0	113.2	K102 K207 F208	K102-T223 PolarHBondContact NZ-O 2.89Å; K102-T223 PolarHBondContact NZ-OG1 3.34Å; K207-T223 HydrophobicContact CD-CG2 4.4Å; F208-T223 CarbonylContact O-C 3.46Å; F208-T223 WeakPolarHBondContact O-CA 3.36Å; F208-T223 WeakPolarHBondContact O-CB 3.48Å
224	I	94.7	Very high	92.5	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	144.4	175.7	-176.1	166.8	0	0	0	110	A145 S147 I149 L159 W176 K207 F208	A145-I224 HydrophobicContact CB-CB 4.04Å; A145-I224 HydrophobicContact CB-CG2 4.16Å; A145-I224 VanDerWaalsContact O-CD1 3.24Å; A145-I224 WeakPolarHBondContact O-CD1 3.01Å; S147-I224 WeakPolarHBondContact O-CD1 3.35Å; I149-I224 HydrophobicContact CD1-CD1 4.37Å; I149-I224 HydrophobicContact CG1-CD1 4.25Å; L159-I224 HydrophobicContact CD1-CG2 4.36Å; L159-I224 HydrophobicContact CD2-CD1 4.09Å; L159-I224 HydrophobicContact CD2-CG2 4.45Å; W176-I224 HydrophobicContact CH2-CG2 4.26Å; W176-I224 HydrophobicContact CZ3-CG2 3.77Å; K207-I224 WeakPolarHBondContact CA-O 3.33Å; F208-I224 HydrophobicContact CB-CG2 3.8Å; F208-I224 PolarHBondContact N-O 3.4Å; F208-I224 PolarHBondContact O-N 3.19Å
225	N	95.6	Very high	92.3	Very high	17 Å²	17	45.9 Å²	45.9	9%	0.091	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.5	172.8	-48.5	-85.5	0	0	0	110.2	K102 D148 I149 Y206	K102-N225 WeakPolarHBondContact CE-ND2 3.29Å; K102-N225 PolarHBondContact NZ-ND2 3.34Å; D148-N225 WeakPolarHBondContact CA-O 3.37Å; D148-N225 HydrophobicContact CB-CB 4.48Å; D148-N225 WeakPolarHBondContact OD1-CB 3.38Å; D148-N225 PolarHBondContact OD1-N 3.3Å; D148-N225 PolarHBondContact OD1-ND2 2.9Å; D148-N225 PolarHBondContact OD2-ND2 3.39Å; I149-N225 PolarHBondContact N-O 3.43Å; Y206-N225 CarbonylContact O-C 3.6Å; Y206-N225 WeakPolarHBondContact O-CA 3.37Å
226	V	96.4	Very high	92.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.1	169.1	179.9	0	0	0	0	107.2	I149 V151 V157 L159 L201 Y206 F208 V228	I149-V226 CarbonylContact O-C 3.55Å; I149-V226 WeakPolarHBondContact O-CA 3.42Å; V151-V226 HydrophobicContact CG2-CG1 4.37Å; V157-V226 HydrophobicContact CG1-CG1 3.96Å; V157-V226 HydrophobicContact CG2-CG1 4.19Å; V157-V226 HydrophobicContact CG2-CG2 4.28Å; L159-V226 HydrophobicContact CD2-CG2 3.94Å; L201-V226 HydrophobicContact CD1-CG1 4.05Å; Y206-V226 PolarHBondContact N-O 2.91Å; Y206-V226 PolarHBondContact O-N 3.19Å; F208-V226 HydrophobicContact CD2-CG2 3.85Å; F208-V226 HydrophobicContact CE2-CB 4.06Å; F208-V226 HydrophobicContact CE2-CG2 3.63Å; V226-V228 HydrophobicContact CG1-CG2 4.27Å
227	L	95.8	Very high	92.5	Very high	33 Å²	33	40 Å²	40	17%	0.173	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	111.8	173.4	179.4	62.8	0	0	0	108.9	I149 V150 V151 K205 L229	I149-L227 PolarHBondContact O-N 2.83Å; V150-L227 WeakPolarHBondContact CA-O 3.34Å; V150-L227 HydrophobicContact CG1-CD2 4.46Å; V150-L227 HydrophobicContact CG2-CB 4.39Å; V150-L227 HydrophobicContact CG2-CD2 4.44Å; V151-L227 PolarHBondContact N-O 2.97Å; K205-L227 HydrophobicContact CB-CD1 4.29Å; L227-L229 HydrophobicContact CD2-CD2 3.94Å; L227-L229 HydrophobicContact CG-CD2 4.17Å
228	V	95.8	Very high	92.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.3	169.8	-174.7	0	0	0	0	107.5	V151 P153 L201 T202 S203 G204 Y206 V226	V151-V228 HydrophobicContact CG2-CB 4.44Å; V151-V228 HydrophobicContact CG2-CG2 3.87Å; V151-V228 WeakPolarHBondContact O-CA 3.46Å; P153-V228 HydrophobicContact CB-CG1 4.18Å; P153-V228 HydrophobicContact CG-CG1 4.1Å; L201-V228 HydrophobicContact CB-CG2 3.73Å; L201-V228 HydrophobicContact CD1-CG2 4.04Å; T202-V228 VanDerWaalsContact O-CB 3.27Å; T202-V228 WeakPolarHBondContact O-CB 3.39Å; T202-V228 WeakPolarHBondContact O-CG1 3.43Å; S203-V228 CarbonylContact C-O 3.49Å; S203-V228 WeakPolarHBondContact CA-O 3.41Å; G204-V228 PolarHBondContact N-O 2.66Å; G204-V228 PolarHBondContact O-N 3.34Å; Y206-V228 HydrophobicContact CD2-CG2 3.98Å; Y206-V228 HydrophobicContact CE2-CB 4.28Å; Y206-V228 HydrophobicContact CE2-CG2 3.72Å; V226-V228 HydrophobicContact CG1-CG2 4.27Å
229	L	94.3	Very high	92.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.218	C	C	.	.			trans	-64.4	136.5	-168.8	-64.7	173	0	0	0	112.2	V150 V151 P153 L227 E233 S234 H237 A287	V150-L229 HydrophobicContact CG1-CD1 3.75Å; V150-L229 HydrophobicContact CG1-CD2 3.59Å; V150-L229 HydrophobicContact CG1-CG 3.66Å; V151-L229 PolarHBondContact O-N 3.49Å; P153-L229 WeakPolarHBondContact CG-O 3.13Å; L227-L229 HydrophobicContact CD2-CD2 3.94Å; L227-L229 HydrophobicContact CG-CD2 4.17Å; L229-E233 HydrophobicContact CB-CB 4.37Å; L229-E233 HydrophobicContact CD2-CB 3.62Å; L229-S234 WeakPolarHBondContact CB-OG 3.34Å; L229-H237 HydrophobicContact CD1-CB 3.83Å; L229-H237 HydrophobicContact CD2-CB 4.38Å; L229-H237 VanDerWaalsContact CD2-CD2 3.44Å; L229-H237 WeakPolarHBondContact CD2-CD2 3.44Å; L229-A287 VanDerWaalsContact CD1-O 3.31Å; L229-A287 WeakPolarHBondContact CD1-O 3.44Å
230	T	92.2	Very high	92.4	Very high	47 Å²	47	35.3 Å²	35.3	29%	0.288	20%	0.2	S	C	.	.			trans	-73.1	171	160.9	59.6	0	0	0	0	110.6	E232 E233 S234	T230-E232 VanDerWaalsContact C-N 3.29Å; T230-E232 PolarHBondContact O-N 3.07Å; T230-E233 WeakPolarHBondContact CB-OE2 3.48Å; T230-E233 WeakPolarHBondContact CG2-OE2 3.25Å; T230-E233 PolarHBondContact N-OE2 2.81Å; T230-E233 PolarHBondContact O-N 2.75Å; T230-E233 VanDerWaalsContact OG1-CG 3.28Å; T230-E233 WeakPolarHBondContact OG1-CG 3.5Å; T230-E233 PolarHBondContact OG1-N 2.79Å; T230-E233 VanDerWaalsContact OG1-N 3.15Å; T230-E233 PolarHBondContact OG1-OE2 3.28Å; T230-S234 WeakPolarHBondContact O-CB 3.28Å; T230-S234 PolarHBondContact O-N 3.21Å; T230-S234 PolarHBondContact O-OG 3.47Å
231	A	88.6	Confident	92.3	Very high	79 Å²	79	37.4 Å²	37.4	65%	0.653	22%	0.217	S	C	*	.	H	α-helix	trans	-59.8	-40.8	173	0	0	0	0	0	111.8	S234 E235	A231-S234 WeakPolarHBondContact O-CB 3.35Å; A231-S234 PolarHBondContact O-N 3.18Å; A231-E235 PolarHBondContact O-N 2.86Å
232	E	87	Confident	92.3	Very high	128 Å²	128	38.9 Å²	38.9	60%	0.598	22%	0.216	S	C	*	.	H	α-helix	trans	-66.7	-45	178	-176.6	179.8	174.1	0	0	111.9	T230 S234 E235 H236	T230-E232 VanDerWaalsContact C-N 3.29Å; T230-E232 PolarHBondContact O-N 3.07Å; E232-S234 VanDerWaalsContact C-N 3.27Å; E232-S234 PolarHBondContact O-N 3.04Å; E232-E235 WeakPolarHBondContact O-CB 3.2Å; E232-E235 PolarHBondContact O-N 2.93Å; E232-E235 VanDerWaalsContact O-N 3.17Å; E232-H236 PolarHBondContact O-CD2 2.89Å
233	E	90.9	Very high	92.4	Very high	58 Å²	58	38 Å²	38	27%	0.271	21%	0.209	S	C	.	.	H	α-helix	trans	-66.7	-32.9	176.8	-65.5	162.2	132.4	0	0	111.6	L229 T230 E235 H236 H237	L229-E233 HydrophobicContact CB-CB 4.37Å; L229-E233 HydrophobicContact CD2-CB 3.62Å; T230-E233 WeakPolarHBondContact CB-OE2 3.48Å; T230-E233 WeakPolarHBondContact CG2-OE2 3.25Å; T230-E233 PolarHBondContact N-OE2 2.81Å; T230-E233 PolarHBondContact O-N 2.75Å; T230-E233 VanDerWaalsContact OG1-CG 3.28Å; T230-E233 WeakPolarHBondContact OG1-CG 3.5Å; T230-E233 PolarHBondContact OG1-N 2.79Å; T230-E233 VanDerWaalsContact OG1-N 3.15Å; T230-E233 PolarHBondContact OG1-OE2 3.28Å; E233-E235 VanDerWaalsContact C-N 3.25Å; E233-E235 PolarHBondContact O-N 2.83Å; E233-H236 PolarHBondContact O-N 3.26Å; E233-H236 VanDerWaalsContact O-N 3.12Å; E233-H237 WeakPolarHBondContact O-CB 3.32Å; E233-H237 PolarHBondContact O-CD2 3.13Å; E233-H237 VanDerWaalsContact O-CD2 3.29Å; E233-H237 PolarHBondContact O-N 3.48Å
234	S	91.4	Very high	92.4	Very high	11 Å²	11	40.8 Å²	40.8	8%	0.077	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-31.2	174.3	-62.1	0	0	0	0	112.4	Q152 L229 T230 A231 E232 C238 M239	Q152-S234 PolarHBondContact NE2-OG 3.29Å; Q152-S234 VanDerWaalsContact NE2-OG 3.12Å; Q152-S234 PolarHBondContact OE1-OG 2.03Å; L229-S234 WeakPolarHBondContact CB-OG 3.34Å; T230-S234 WeakPolarHBondContact O-CB 3.28Å; T230-S234 PolarHBondContact O-N 3.21Å; T230-S234 PolarHBondContact O-OG 3.47Å; A231-S234 WeakPolarHBondContact O-CB 3.35Å; A231-S234 PolarHBondContact O-N 3.18Å; E232-S234 VanDerWaalsContact C-N 3.27Å; E232-S234 PolarHBondContact O-N 3.04Å; S234-C238 WeakPolarHBondContact O-CA 3.11Å; S234-C238 VanDerWaalsContact O-CB 3.29Å; S234-C238 WeakPolarHBondContact O-CB 3.2Å; S234-C238 PolarHBondContact O-N 3.4Å; S234-M239 PolarHBondContact O-N 2.97Å
235	E	88.6	Confident	92.2	Very high	42 Å²	42	41.5 Å²	41.5	20%	0.196	23%	0.23	C	C	.	.	I	π-helix	trans	-59.5	-48.3	171.7	-66.7	-67.6	164	0	0	110.4	A231 E232 E233 M239 V240 L299 I301	A231-E235 PolarHBondContact O-N 2.86Å; E232-E235 WeakPolarHBondContact O-CB 3.2Å; E232-E235 PolarHBondContact O-N 2.93Å; E232-E235 VanDerWaalsContact O-N 3.17Å; E233-E235 VanDerWaalsContact C-N 3.25Å; E233-E235 PolarHBondContact O-N 2.83Å; E235-M239 CarbonylContact O-C 3.56Å; E235-M239 WeakPolarHBondContact O-CA 3.35Å; E235-M239 WeakPolarHBondContact O-CB 3.43Å; E235-M239 PolarHBondContact O-N 2.78Å; E235-M239 WeakPolarHBondContact OE2-CB 3.43Å; E235-M239 WeakPolarHBondContact OE2-CG 3.4Å; E235-V240 WeakPolarHBondContact O-CG1 3.46Å; E235-V240 PolarHBondContact O-N 3.32Å; E235-L299 HydrophobicContact CG-CD1 4.31Å; E235-I301 HydrophobicContact CB-CD1 4.24Å
236	H	90.1	Very high	92	Very high	22 Å²	22	41.3 Å²	41.3	10%	0.102	23%	0.23	C	C	.	.	I	π-helix	trans	-74.2	-31.4	-178.8	-67.9	-78.3	0	0	0	114.6	E232 E233 V240 K275 N276	E232-H236 PolarHBondContact O-CD2 2.89Å; E233-H236 PolarHBondContact O-N 3.26Å; E233-H236 VanDerWaalsContact O-N 3.12Å; H236-V240 WeakPolarHBondContact O-CG2 3.25Å; H236-K275 HydrophobicContact CB-CB 4.44Å; H236-K275 HydrophobicContact CB-CD 3.93Å; H236-K275 HydrophobicContact CB-CG 4.48Å; H236-K275 CarbonylContact O-C 3.56Å; H236-K275 WeakPolarHBondContact O-CB 3.46Å; H236-N276 PolarHBondContact O-N 3.12Å
237	H	93.2	Very high	91.7	Very high	24 Å²	24	41.5 Å²	41.5	11%	0.111	23%	0.231	C	C	.	.	I	π-helix	trans	-86.4	-29.5	-178.7	-84.1	-84.6	0	0	0	113	L229 E233 K275 N276 Y278	L229-H237 HydrophobicContact CD1-CB 3.83Å; L229-H237 HydrophobicContact CD2-CB 4.38Å; L229-H237 VanDerWaalsContact CD2-CD2 3.44Å; L229-H237 WeakPolarHBondContact CD2-CD2 3.44Å; E233-H237 WeakPolarHBondContact O-CB 3.32Å; E233-H237 PolarHBondContact O-CD2 3.13Å; E233-H237 VanDerWaalsContact O-CD2 3.29Å; E233-H237 PolarHBondContact O-N 3.48Å; H237-K275 PolarHBondContact ND1-O 2.95Å; H237-N276 WeakPolarHBondContact O-CA 3.4Å; H237-N276 WeakPolarHBondContact O-CB 3.23Å; H237-N276 PolarHBondContact O-OD1 3.29Å; H237-Y278 PolarHBondContact O-OH 2.84Å; H237-Y278 VanDerWaalsContact O-OH 3.05Å
238	C	93.1	Very high	91.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	I	π-helix	trans	-127.4	-35.3	-169.3	-54.8	0	0	0	0	113.9	S234 Y256 N276 A287 C288 T291	S234-C238 WeakPolarHBondContact O-CA 3.11Å; S234-C238 VanDerWaalsContact O-CB 3.29Å; S234-C238 WeakPolarHBondContact O-CB 3.2Å; S234-C238 PolarHBondContact O-N 3.4Å; C238-Y256 HydrophobicContact CB-CD1 3.9Å; C238-Y256 HydrophobicContact CB-CG 4.42Å; C238-Y256 WeakPolarHBondContact O-CD1 3.49Å; C238-N276 PolarHBondContact O-ND2 3.13Å; C238-A287 PolarHBondContact SG-O 2.78Å; C238-C288 WeakPolarHBondContact CA-SG 3.42Å; C238-C288 HydrophobicContact CB-CB 3.75Å; C238-C288 WeakPolarHBondContact CB-SG 3.37Å; C238-C288 WeakPolarHBondContact SG-CA 3.41Å; C238-C288 WeakPolarHBondContact SG-CB 3.29Å; C238-C288 CovalentContact SG-SG 2.04Å; C238-C288 PolarHBondContact SG-SG 2.82Å; C238-T291 HydrophobicContact CB-CG2 4.41Å
239	M	89.6	Confident	90.9	Very high	66 Å²	66	48.5 Å²	48.5	33%	0.325	26%	0.26	S	S	.	.	I	π-helix	trans	-93.9	-26.7	-171.3	-55.7	-59.1	-178.1	0	0	113.8	S234 E235 A258	S234-M239 PolarHBondContact O-N 2.97Å; E235-M239 CarbonylContact O-C 3.56Å; E235-M239 WeakPolarHBondContact O-CA 3.35Å; E235-M239 WeakPolarHBondContact O-CB 3.43Å; E235-M239 PolarHBondContact O-N 2.78Å; E235-M239 WeakPolarHBondContact OE2-CB 3.43Å; E235-M239 WeakPolarHBondContact OE2-CG 3.4Å; M239-A258 HydrophobicContact SD-CB 3.63Å
240	V	89.4	Confident	90.7	Very high	13 Å²	13	51.9 Å²	51.9	8%	0.079	29%	0.287	C	S	.	.	S	Bend	trans	-61.8	140.8	174.2	-65.8	0	0	0	0	110.5	E235 H236 N274 N276 I301	E235-V240 WeakPolarHBondContact O-CG1 3.46Å; E235-V240 PolarHBondContact O-N 3.32Å; H236-V240 WeakPolarHBondContact O-CG2 3.25Å; V240-N274 HydrophobicContact CG2-CB 4.41Å; V240-N274 WeakPolarHBondContact CG2-ND2 2.84Å; V240-N276 HydrophobicContact CG2-CB 3.58Å; V240-N276 PolarHBondContact O-ND2 2.02Å; V240-I301 HydrophobicContact CG1-CD1 3.96Å
241	P	91.5	Very high	90.7	Very high	106 Å²	106	50 Å²	50	69%	0.688	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-57.7	158	175.7	-23.3	33.3	0	0	0	112.2	K243 N274	P241-K243 PolarHBondContact O-N 2.96Å; P241-N274 PolarHBondContact O-ND2 3.34Å
242	K	93.9	Very high	91	Very high	92 Å²	92	53.5 Å²	53.5	40%	0.4	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-56.4	137.4	166.8	48.7	160.6	163.8	-87	0	110.7	H255 F266	K242-H255 HydrophobicContact CB-CB 4.14Å; K242-H255 WeakPolarHBondContact CD-NE2 3.04Å; K242-H255 PolarHBondContact NZ-NE2 2.76Å; K242-F266 HydrophobicContact CB-CD1 4.43Å; K242-F266 HydrophobicContact CB-CD2 3.97Å; K242-F266 HydrophobicContact CB-CE2 4.13Å; K242-F266 HydrophobicContact CB-CG 4.12Å; K242-F266 HydrophobicContact CB-CZ 4.43Å; K242-F266 HydrophobicContact CD-CB 3.65Å; K242-F266 HydrophobicContact CD-CD2 3.99Å; K242-F266 HydrophobicContact CD-CG 3.93Å
243	K	94.1	Very high	91.5	Very high	9 Å²	9	47.7 Å²	47.7	4%	0.039	25%	0.248	C	C	.	.			trans	-118.1	113.6	179	-175.3	179	-179.8	-164	0	110.6	P241 G245 F266 L272 N274 G325 K327 C328 D329	P241-K243 PolarHBondContact O-N 2.96Å; K243-G245 VanDerWaalsContact C-N 3.3Å; K243-F266 WeakPolarHBondContact O-CE2 3.44Å; K243-L272 WeakPolarHBondContact CD-O 3.44Å; K243-L272 WeakPolarHBondContact CE-O 3.48Å; K243-L272 PolarHBondContact NZ-O 2.83Å; K243-N274 HydrophobicContact CB-CB 4.36Å; K243-N274 WeakPolarHBondContact CB-ND2 3.33Å; K243-N274 HydrophobicContact CD-CB 4.14Å; K243-G325 WeakPolarHBondContact CD-O 3.27Å; K243-G325 PolarHBondContact NZ-O 3.07Å; K243-K327 WeakPolarHBondContact CE-O 3.45Å; K243-K327 PolarHBondContact NZ-O 2.92Å; K243-C328 WeakPolarHBondContact CE-O 3.04Å; K243-D329 HydrophobicContact CD-CB 4.15Å
244	I	93.8	Very high	91.8	Very high	105 Å²	105	47 Å²	47	54%	0.538	24%	0.243	S	C	.	.			trans	-68.3	-36.7	174.8	-59.6	175.4	0	0	0	109.7	F268 G269	I244-F268 WeakPolarHBondContact O-CD2 3.41Å; I244-G269 VanDerWaalsContact O-CA 3.29Å; I244-G269 WeakPolarHBondContact O-CA 3.39Å; I244-G269 PolarHBondContact O-N 2.94Å
245	G	91.5	Very high	92.1	Very high	18 Å²	18	46.7 Å²	46.7	19%	0.186	24%	0.241	C	C	.	.			trans	78.5	169.5	-175.4	0	0	0	0	0	112	K243 C247	K243-G245 VanDerWaalsContact C-N 3.3Å; G245-C247 VanDerWaalsContact C-N 3.32Å; G245-C247 PolarHBondContact O-N 3.38Å
246	P	90.8	Very high	92.4	Very high	14 Å²	14	45.4 Å²	45.4	9%	0.091	23%	0.234	C	C	.	.	S	Bend	trans	-75.8	-19	-174.7	29.2	-33.9	0	0	0	113	L272 C328 C343 F346 Q347	P246-L272 HydrophobicContact CG-CD1 3.76Å; P246-L272 HydrophobicContact CG-CG 4.38Å; P246-C328 HydrophobicContact CG-CB 4.28Å; P246-C343 HydrophobicContact CB-CB 4.24Å; P246-C343 WeakPolarHBondContact CB-O 3.28Å; P246-F346 HydrophobicContact CB-CB 4.3Å; P246-F346 HydrophobicContact CG-CB 3.83Å; P246-F346 HydrophobicContact CG-CD2 4.34Å; P246-F346 HydrophobicContact CG-CG 4.18Å; P246-Q347 HydrophobicContact CB-CG 4.48Å; P246-Q347 WeakPolarHBondContact O-CG 3.49Å
247	C	90.2	Very high	92.6	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.027	24%	0.239	C	C	.	.			trans	-69.4	152.8	179.2	-71.2	0	0	0	0	112.3	G245 G269 C271 F350	G245-C247 VanDerWaalsContact C-N 3.32Å; G245-C247 PolarHBondContact O-N 3.38Å; C247-G269 CarbonylContact C-O 3.45Å; C247-G269 WeakPolarHBondContact CB-O 3.09Å; C247-G269 WeakPolarHBondContact O-CA 3.04Å; C247-C271 HydrophobicContact CB-CB 3.94Å; C247-C271 WeakPolarHBondContact CB-SG 3.42Å; C247-C271 PolarHBondContact N-SG 2.91Å; C247-C271 WeakPolarHBondContact SG-CB 3.48Å; C247-C271 CovalentContact SG-SG 2.02Å; C247-C271 PolarHBondContact SG-SG 3.32Å; C247-F350 HydrophobicContact CB-CB 4.35Å; C247-F350 HydrophobicContact CB-CD1 3.56Å; C247-F350 HydrophobicContact CB-CE1 3.93Å; C247-F350 HydrophobicContact CB-CG 4.02Å; C247-F350 VanDerWaalsContact SG-CB 3.59Å; C247-F350 VanDerWaalsContact SG-CG 3.57Å
248	R	87	Confident	92.4	Very high	165 Å²	165	47.2 Å²	47.2	62%	0.623	25%	0.251	S	S	*	.			trans	-108.9	28.1	-175.6	-66.3	179.7	93.1	-171.4	12.1	113.7	R351	R248-R351 VanDerWaalsContact CD-NE 3.27Å; R248-R351 VanDerWaalsContact NH1-NH1 3.19Å
249	G	86.8	Confident	92.1	Very high	16 Å²	16	51.9 Å²	51.9	17%	0.165	29%	0.29	C	S	.	.			trans	-72.6	176.6	165	0	0	0	0	0	111.7	G269	G249-G269 VanDerWaalsContact CA-O 3.23Å; G249-G269 WeakPolarHBondContact CA-O 3.27Å; G249-G269 PolarHBondContact N-O 3.16Å
250	A	90.7	Very high	92.2	Very high	70 Å²	70	50.7 Å²	50.7	58%	0.579	29%	0.289	S	S	*	.			trans	-140.1	76.5	-177	0	0	0	0	0	108.9	M267	A250-M267 HydrophobicContact CB-CE 3.55Å; A250-M267 WeakPolarHBondContact O-CE 3.01Å
251	F	92.6	Very high	92.2	Very high	9 Å²	9	56 Å²	56	4%	0.039	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.3	-177.8	-54.4	-73.5	0	0	0	109.7	S46 V49 R253 F268 F350 L354	S46-F251 WeakPolarHBondContact O-CE1 3.06Å; V49-F251 HydrophobicContact CB-CD1 4.22Å; V49-F251 HydrophobicContact CB-CD2 4.4Å; V49-F251 HydrophobicContact CB-CE1 3.86Å; V49-F251 HydrophobicContact CB-CE2 4.04Å; V49-F251 HydrophobicContact CB-CG 4.48Å; V49-F251 HydrophobicContact CB-CZ 3.74Å; V49-F251 HydrophobicContact CG1-CD1 3.99Å; V49-F251 HydrophobicContact CG1-CD2 3.51Å; V49-F251 HydrophobicContact CG1-CE1 3.99Å; V49-F251 HydrophobicContact CG1-CE2 3.48Å; V49-F251 VanDerWaalsContact CG1-CE2 3.48Å; V49-F251 HydrophobicContact CG1-CG 3.76Å; V49-F251 HydrophobicContact CG1-CZ 3.73Å; V49-F251 HydrophobicContact CG2-CZ 4.47Å; F251-R253 PolarHBondContact O-N 3.34Å; F251-F268 HydrophobicContact CB-CB 4.44Å; F251-F268 WeakPolarHBondContact CD2-O 3.01Å; F251-F268 PolarHBondContact N-O 2.84Å; F251-F268 PolarHBondContact O-N 3.32Å; F251-F350 HydrophobicContact CE2-CE1 4.17Å; F251-F350 HydrophobicContact CE2-CZ 4.07Å; F251-F350 HydrophobicContact CZ-CZ 4.36Å; F251-L354 HydrophobicContact CZ-CD2 4.25Å
252	K	95.4	Very high	92.3	Very high	151 Å²	151	57.5 Å²	57.5	66%	0.657	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	129.4	176.1	-67.7	-175.9	-179.5	-175.3	0	109.4	M267	K252-M267 HydrophobicContact CG-CE 4.34Å; K252-M267 HydrophobicContact CG-SD 3.84Å
253	R	97.1	Very high	92.4	Very high	6 Å²	6	53.9 Å²	53.9	2%	0.023	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	164.1	177.3	-64.7	-65.2	-178.4	79.2	-1.5	109.5	V49 F251 E265 F266 F268 N277 Y278	V49-R253 PolarHBondContact O-NH2 2.99Å; F251-R253 PolarHBondContact O-N 3.34Å; R253-E265 CarbonylContact O-C 3.4Å; R253-E265 WeakPolarHBondContact O-CA 3.48Å; R253-F266 HydrophobicContact CB-CD1 4Å; R253-F266 HydrophobicContact CB-CE1 3.46Å; R253-F266 VanDerWaalsContact CB-CE1 3.46Å; R253-F266 HydrophobicContact CB-CZ 3.94Å; R253-F266 PolarHBondContact N-O 2.86Å; R253-F266 WeakPolarHBondContact O-CD1 3.46Å; R253-F266 PolarHBondContact O-N 3.05Å; R253-F268 HydrophobicContact CB-CB 4.27Å; R253-F268 HydrophobicContact CG-CB 3.6Å; R253-F268 HydrophobicContact CG-CD1 4.35Å; R253-F268 HydrophobicContact CG-CG 4.32Å; R253-N277 WeakPolarHBondContact CB-OD1 3.15Å; R253-N277 VanDerWaalsContact CD-OD1 3.28Å; R253-N277 WeakPolarHBondContact CD-OD1 3.4Å; R253-N277 WeakPolarHBondContact CG-OD1 3.21Å; R253-N277 PolarHBondContact NH1-ND2 3.07Å; R253-N277 PolarHBondContact NH1-OD1 3.19Å; R253-Y278 CarbonylContact C-O 3.59Å; R253-Y278 WeakPolarHBondContact CA-O 3.41Å
254	W	97.7	Very high	92.6	Very high	44 Å²	44	56.4 Å²	56.4	17%	0.167	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	143	174.4	-66.7	85	0	0	0	109.8	C263 E264 E265 Y278 E281 C284	W254-C263 HydrophobicContact CE3-CB 4.06Å; W254-E264 WeakPolarHBondContact CA-O 3.28Å; W254-E265 HydrophobicContact CD2-CG 3.91Å; W254-E265 HydrophobicContact CE3-CG 3.91Å; W254-E265 HydrophobicContact CH2-CG 3.46Å; W254-E265 VanDerWaalsContact CH2-CG 3.46Å; W254-E265 HydrophobicContact CZ2-CG 3.4Å; W254-E265 WeakPolarHBondContact CZ2-OE1 3.22Å; W254-E265 HydrophobicContact CZ3-CG 3.72Å; W254-Y278 PolarHBondContact N-O 3.15Å; W254-Y278 PolarHBondContact O-N 3.37Å; W254-E281 HydrophobicContact CD2-CB 3.67Å; W254-E281 HydrophobicContact CD2-CG 3.98Å; W254-E281 HydrophobicContact CE3-CB 3.92Å; W254-E281 HydrophobicContact CE3-CG 3.67Å; W254-E281 HydrophobicContact CG-CB 4.22Å; W254-E281 HydrophobicContact CH2-CB 3.95Å; W254-E281 HydrophobicContact CH2-CG 3.83Å; W254-E281 WeakPolarHBondContact CH2-OE2 3.47Å; W254-E281 HydrophobicContact CZ2-CB 3.74Å; W254-E281 HydrophobicContact CZ2-CG 4.16Å; W254-E281 HydrophobicContact CZ3-CB 4.04Å; W254-E281 HydrophobicContact CZ3-CG 3.58Å; W254-C284 HydrophobicContact CB-CB 4.12Å
255	H	96.6	Very high	92.8	Very high	5 Å²	5	57 Å²	57	2%	0.023	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150	169.7	78.4	93.6	0	0	0	109.3	K242 C263 E264 F266 N276 C284	K242-H255 HydrophobicContact CB-CB 4.14Å; K242-H255 WeakPolarHBondContact CD-NE2 3.04Å; K242-H255 PolarHBondContact NZ-NE2 2.76Å; H255-C263 CarbonylContact O-C 3.56Å; H255-C263 WeakPolarHBondContact O-CA 3.18Å; H255-E264 PolarHBondContact CD2-O 3.44Å; H255-E264 VanDerWaalsContact CD2-O 3.28Å; H255-E264 PolarHBondContact N-O 2.79Å; H255-E264 PolarHBondContact O-N 2.81Å; H255-F266 HydrophobicContact CB-CD1 3.98Å; H255-F266 HydrophobicContact CB-CE1 3.84Å; H255-F266 AromaticContact CD2-CD1 3.57Å; H255-F266 AromaticContact CD2-CG 3.93Å; H255-N276 WeakPolarHBondContact CA-OD1 2.98Å; H255-N276 WeakPolarHBondContact CB-O 3.33Å; H255-C284 VanDerWaalsContact C-SG 3.58Å
256	Y	96.2	Very high	93	Very high	14 Å²	14	56.9 Å²	56.9	6%	0.055	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.1	168.4	-169.3	-107.9	0	0	0	109.4	C238 A258 E261 N276 C284 C288 T291	C238-Y256 HydrophobicContact CB-CD1 3.9Å; C238-Y256 HydrophobicContact CB-CG 4.42Å; C238-Y256 WeakPolarHBondContact O-CD1 3.49Å; Y256-A258 HydrophobicContact CD1-CB 4.44Å; Y256-A258 HydrophobicContact CE1-CB 4.27Å; Y256-E261 WeakPolarHBondContact OH-CA 3.34Å; Y256-N276 PolarHBondContact N-OD1 2.83Å; Y256-N276 PolarHBondContact O-ND2 3.32Å; Y256-C284 PolarHBondContact N-SG 3.2Å; Y256-C284 VanDerWaalsContact N-SG 3.44Å; Y256-C288 HydrophobicContact CD1-CB 3.87Å; Y256-C288 HydrophobicContact CD2-CB 3.43Å; Y256-C288 VanDerWaalsContact CD2-CB 3.43Å; Y256-C288 HydrophobicContact CE1-CB 4.34Å; Y256-C288 HydrophobicContact CE2-CB 3.96Å; Y256-C288 HydrophobicContact CG-CB 3.37Å; Y256-T291 WeakPolarHBondContact CE1-OG1 3.4Å; Y256-T291 PolarHBondContact OH-OG1 3.25Å
257	N	93.3	Very high	93.3	Very high	40 Å²	40	60.5 Å²	60.5	21%	0.214	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	102.2	172.1	-177.9	-18.6	0	0	0	108.2	A259 S260 E261 K262 E264	N257-A259 PolarHBondContact O-N 2.91Å; N257-A259 VanDerWaalsContact O-N 3.15Å; N257-A259 WeakPolarHBondContact OD1-CB 3.38Å; N257-A259 PolarHBondContact OD1-N 2.89Å; N257-S260 VanDerWaalsContact CB-OG 3.32Å; N257-S260 WeakPolarHBondContact CB-OG 2.93Å; N257-S260 VanDerWaalsContact CG-OG 3.31Å; N257-S260 PolarHBondContact O-N 3.15Å; N257-S260 PolarHBondContact OD1-N 3.33Å; N257-E261 WeakPolarHBondContact O-CA 3.43Å; N257-E261 PolarHBondContact O-N 2.83Å; N257-K262 PolarHBondContact N-O 2.94Å; N257-K262 PolarHBondContact O-N 2.6Å; N257-E264 HydrophobicContact CB-CG 4.25Å; N257-E264 VanDerWaalsContact ND2-CD 3.33Å; N257-E264 PolarHBondContact ND2-OE1 3.13Å; N257-E264 PolarHBondContact ND2-OE2 3.42Å
258	A	88.3	Confident	93.5	Very high	44 Å²	44	60.3 Å²	60.3	36%	0.364	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21	-179.3	0	0	0	0	0	113.8	M239 Y256	M239-A258 HydrophobicContact SD-CB 3.63Å; Y256-A258 HydrophobicContact CD1-CB 4.44Å; Y256-A258 HydrophobicContact CE1-CB 4.27Å
259	A	88.1	Confident	93.7	Very high	98 Å²	98	52.4 Å²	52.4	81%	0.81	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-33.5	177.4	0	0	0	0	0	112.8	N257	N257-A259 PolarHBondContact O-N 2.91Å; N257-A259 VanDerWaalsContact O-N 3.15Å; N257-A259 WeakPolarHBondContact OD1-CB 3.38Å; N257-A259 PolarHBondContact OD1-N 2.89Å
260	S	90.8	Very high	93.9	Very high	42 Å²	42	51.7 Å²	51.7	29%	0.294	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-7	175.9	67.5	0	0	0	0	113.4	N257 K262 E264	N257-S260 VanDerWaalsContact CB-OG 3.32Å; N257-S260 WeakPolarHBondContact CB-OG 2.93Å; N257-S260 VanDerWaalsContact CG-OG 3.31Å; N257-S260 PolarHBondContact O-N 3.15Å; N257-S260 PolarHBondContact OD1-N 3.33Å; S260-K262 WeakPolarHBondContact O-CG 3.32Å; S260-K262 PolarHBondContact O-N 3.32Å; S260-E264 WeakPolarHBondContact CB-OE1 3.4Å; S260-E264 PolarHBondContact OG-OE1 3.32Å
261	E	90.4	Very high	93.9	Very high	124 Å²	124	48.3 Å²	48.3	58%	0.579	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	32.3	-174.2	-60.4	-178.5	174.6	0	0	113.4	Y256 N257	Y256-E261 WeakPolarHBondContact OH-CA 3.34Å; N257-E261 WeakPolarHBondContact O-CA 3.43Å; N257-E261 PolarHBondContact O-N 2.83Å
262	K	93.1	Very high	93.8	Very high	138 Å²	138	48.8 Å²	48.8	60%	0.6	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.3	-174.5	-71.3	174.8	-173.5	-176.8	0	112.1	N257 S260 E264	N257-K262 PolarHBondContact N-O 2.94Å; N257-K262 PolarHBondContact O-N 2.6Å; S260-K262 WeakPolarHBondContact O-CG 3.32Å; S260-K262 PolarHBondContact O-N 3.32Å; K262-E264 HydrophobicContact CB-CG 4.5Å
263	C	96.8	Very high	93.6	Very high	15 Å²	15	43.6 Å²	43.6	10%	0.101	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	124.5	163.5	-68.2	0	0	0	0	109	W254 H255 E281 C284 Q285	W254-C263 HydrophobicContact CE3-CB 4.06Å; H255-C263 CarbonylContact O-C 3.56Å; H255-C263 WeakPolarHBondContact O-CA 3.18Å; C263-E281 HydrophobicContact CB-CG 4.13Å; C263-C284 HydrophobicContact CB-CB 3.85Å; C263-C284 WeakPolarHBondContact CB-SG 3.33Å; C263-C284 WeakPolarHBondContact SG-CB 3.35Å; C263-C284 CovalentContact SG-SG 2.04Å; C263-C284 PolarHBondContact SG-SG 2.04Å; C263-Q285 HydrophobicContact CB-CG 4.37Å; C263-Q285 PolarHBondContact SG-N 3.31Å
264	E	97.1	Very high	93.5	Very high	62 Å²	62	44 Å²	44	29%	0.29	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.6	-177.7	-68	177.1	-179.4	0	0	110.2	W254 H255 N257 S260 K262	W254-E264 WeakPolarHBondContact CA-O 3.28Å; H255-E264 PolarHBondContact CD2-O 3.44Å; H255-E264 VanDerWaalsContact CD2-O 3.28Å; H255-E264 PolarHBondContact N-O 2.79Å; H255-E264 PolarHBondContact O-N 2.81Å; N257-E264 HydrophobicContact CB-CG 4.25Å; N257-E264 VanDerWaalsContact ND2-CD 3.33Å; N257-E264 PolarHBondContact ND2-OE1 3.13Å; N257-E264 PolarHBondContact ND2-OE2 3.42Å; S260-E264 WeakPolarHBondContact CB-OE1 3.4Å; S260-E264 PolarHBondContact OG-OE1 3.32Å; K262-E264 HydrophobicContact CB-CG 4.5Å
265	E	97.9	Very high	93.3	Very high	118 Å²	118	45.6 Å²	45.6	55%	0.551	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72	143.8	174.9	-62.9	-173.6	166.3	0	0	111.4	R253 W254	R253-E265 CarbonylContact O-C 3.4Å; R253-E265 WeakPolarHBondContact O-CA 3.48Å; W254-E265 HydrophobicContact CD2-CG 3.91Å; W254-E265 HydrophobicContact CE3-CG 3.91Å; W254-E265 HydrophobicContact CH2-CG 3.46Å; W254-E265 VanDerWaalsContact CH2-CG 3.46Å; W254-E265 HydrophobicContact CZ2-CG 3.4Å; W254-E265 WeakPolarHBondContact CZ2-OE1 3.22Å; W254-E265 HydrophobicContact CZ3-CG 3.72Å
266	F	96.9	Very high	93.2	Very high	16 Å²	16	45.3 Å²	45.3	7%	0.07	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	167.8	169.4	80.5	-69.5	0	0	0	111.8	K242 K243 R253 H255 F268 N277	K242-F266 HydrophobicContact CB-CD1 4.43Å; K242-F266 HydrophobicContact CB-CD2 3.97Å; K242-F266 HydrophobicContact CB-CE2 4.13Å; K242-F266 HydrophobicContact CB-CG 4.12Å; K242-F266 HydrophobicContact CB-CZ 4.43Å; K242-F266 HydrophobicContact CD-CB 3.65Å; K242-F266 HydrophobicContact CD-CD2 3.99Å; K242-F266 HydrophobicContact CD-CG 3.93Å; K243-F266 WeakPolarHBondContact O-CE2 3.44Å; R253-F266 HydrophobicContact CB-CD1 4Å; R253-F266 HydrophobicContact CB-CE1 3.46Å; R253-F266 VanDerWaalsContact CB-CE1 3.46Å; R253-F266 HydrophobicContact CB-CZ 3.94Å; R253-F266 PolarHBondContact N-O 2.86Å; R253-F266 WeakPolarHBondContact O-CD1 3.46Å; R253-F266 PolarHBondContact O-N 3.05Å; H255-F266 HydrophobicContact CB-CD1 3.98Å; H255-F266 HydrophobicContact CB-CE1 3.84Å; H255-F266 AromaticContact CD2-CD1 3.57Å; H255-F266 AromaticContact CD2-CG 3.93Å; F266-F268 HydrophobicContact CE2-CB 4.08Å; F266-F268 HydrophobicContact CZ-CB 4.25Å; F266-N277 HydrophobicContact CZ-CB 4.39Å
267	M	96.4	Very high	93.2	Very high	89 Å²	89	45.2 Å²	45.2	44%	0.438	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	110.7	176.9	-59.3	-56	-71	0	0	109.9	A250 K252	A250-M267 HydrophobicContact CB-CE 3.55Å; A250-M267 WeakPolarHBondContact O-CE 3.01Å; K252-M267 HydrophobicContact CG-CE 4.34Å; K252-M267 HydrophobicContact CG-SD 3.84Å
268	F	95.2	Very high	93.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138.3	171.8	175.3	-127.1	0	0	0	110.8	I244 F251 R253 F266 G270 C271 E273 N277	I244-F268 WeakPolarHBondContact O-CD2 3.41Å; F251-F268 HydrophobicContact CB-CB 4.44Å; F251-F268 WeakPolarHBondContact CD2-O 3.01Å; F251-F268 PolarHBondContact N-O 2.84Å; F251-F268 PolarHBondContact O-N 3.32Å; R253-F268 HydrophobicContact CB-CB 4.27Å; R253-F268 HydrophobicContact CG-CB 3.6Å; R253-F268 HydrophobicContact CG-CD1 4.35Å; R253-F268 HydrophobicContact CG-CG 4.32Å; F266-F268 HydrophobicContact CE2-CB 4.08Å; F266-F268 HydrophobicContact CZ-CB 4.25Å; F268-G270 VanDerWaalsContact C-N 3.34Å; F268-G270 VanDerWaalsContact CE1-C 3.49Å; F268-G270 VanDerWaalsContact CZ-C 3.48Å; F268-G270 PolarHBondContact O-N 2.69Å; F268-C271 WeakPolarHBondContact CE2-O 3.49Å; F268-E273 HydrophobicContact CE1-CB 4.42Å; F268-E273 HydrophobicContact CE2-CB 3.81Å; F268-E273 HydrophobicContact CZ-CB 3.64Å; F268-N277 WeakPolarHBondContact CD2-ND2 3.27Å; F268-N277 WeakPolarHBondContact CG-ND2 3.37Å
269	G	91.3	Very high	93.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.			trans	-74.8	-17.7	-178.1	0	0	0	0	0	114.7	I244 C247 G249 F350	I244-G269 VanDerWaalsContact O-CA 3.29Å; I244-G269 WeakPolarHBondContact O-CA 3.39Å; I244-G269 PolarHBondContact O-N 2.94Å; C247-G269 CarbonylContact C-O 3.45Å; C247-G269 WeakPolarHBondContact CB-O 3.09Å; C247-G269 WeakPolarHBondContact O-CA 3.04Å; G249-G269 VanDerWaalsContact CA-O 3.23Å; G249-G269 WeakPolarHBondContact CA-O 3.27Å; G249-G269 PolarHBondContact N-O 3.16Å; G269-F350 WeakPolarHBondContact O-CE1 3.41Å
270	G	89.8	Confident	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	104.5	3	174.3	0	0	0	0	0	116.4	F268	F268-G270 VanDerWaalsContact C-N 3.34Å; F268-G270 VanDerWaalsContact CE1-C 3.49Å; F268-G270 VanDerWaalsContact CZ-C 3.48Å; F268-G270 PolarHBondContact O-N 2.69Å
271	C	90.9	Very high	94	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-154.1	159.8	172.8	71.2	0	0	0	0	112.4	F55 C247 F268 E273	F55-C271 HydrophobicContact CB-CB 4.13Å; F55-C271 HydrophobicContact CD1-CB 3.91Å; C247-C271 HydrophobicContact CB-CB 3.94Å; C247-C271 WeakPolarHBondContact CB-SG 3.42Å; C247-C271 PolarHBondContact N-SG 2.91Å; C247-C271 WeakPolarHBondContact SG-CB 3.48Å; C247-C271 CovalentContact SG-SG 2.02Å; C247-C271 PolarHBondContact SG-SG 3.32Å; F268-C271 WeakPolarHBondContact CE2-O 3.49Å; C271-E273 VanDerWaalsContact C-N 3.32Å; C271-E273 PolarHBondContact O-N 3.12Å
272	L	89.9	Confident	94.1	Very high	18 Å²	18	43.1 Å²	43.1	9%	0.094	20%	0.201	C	C	.	.	S	Bend	trans	52.7	46.8	-179.8	-56.1	-175.8	0	0	0	113	K243 P246 C328 F346	K243-L272 WeakPolarHBondContact CD-O 3.44Å; K243-L272 WeakPolarHBondContact CE-O 3.48Å; K243-L272 PolarHBondContact NZ-O 2.83Å; P246-L272 HydrophobicContact CG-CD1 3.76Å; P246-L272 HydrophobicContact CG-CG 4.38Å; L272-C328 HydrophobicContact CD1-CB 3.95Å; L272-F346 HydrophobicContact CD1-CD1 4.45Å; L272-F346 HydrophobicContact CD1-CD2 4.09Å; L272-F346 HydrophobicContact CD1-CE1 4.3Å; L272-F346 HydrophobicContact CD1-CE2 3.94Å; L272-F346 HydrophobicContact CD1-CG 4.36Å; L272-F346 HydrophobicContact CD1-CZ 4.05Å; L272-F346 HydrophobicContact CD2-CE1 4.16Å; L272-F346 HydrophobicContact CD2-CZ 4.22Å; L272-F346 HydrophobicContact CG-CD1 4.44Å; L272-F346 HydrophobicContact CG-CE1 4.27Å; L272-F346 HydrophobicContact CG-CZ 4.43Å
273	E	92.8	Very high	94.1	Very high	42 Å²	42	38.6 Å²	38.6	20%	0.196	18%	0.183	C	C	.	.			trans	-55.9	152.3	168.5	72.2	-65.5	162.6	0	0	111.9	T54 F268 C271 N277	T54-E273 WeakPolarHBondContact CG2-OE2 3.11Å; F268-E273 HydrophobicContact CE1-CB 4.42Å; F268-E273 HydrophobicContact CE2-CB 3.81Å; F268-E273 HydrophobicContact CZ-CB 3.64Å; C271-E273 VanDerWaalsContact C-N 3.32Å; C271-E273 PolarHBondContact O-N 3.12Å; E273-N277 HydrophobicContact CB-CB 4.29Å
274	N	93.4	Very high	94.1	Very high	15 Å²	15	37.9 Å²	37.9	8%	0.08	18%	0.178	C	C	.	.			trans	-96.1	177.5	158.8	63.2	7	0	0	0	109.5	V240 P241 K243 N276 N277	V240-N274 HydrophobicContact CG2-CB 4.41Å; V240-N274 WeakPolarHBondContact CG2-ND2 2.84Å; P241-N274 PolarHBondContact O-ND2 3.34Å; K243-N274 HydrophobicContact CB-CB 4.36Å; K243-N274 WeakPolarHBondContact CB-ND2 3.33Å; K243-N274 HydrophobicContact CD-CB 4.14Å; N274-N276 VanDerWaalsContact C-N 3.27Å; N274-N276 PolarHBondContact O-N 3.35Å; N274-N276 PolarHBondContact OD1-O 2.97Å; N274-N277 WeakPolarHBondContact O-CB 2.97Å
275	K	94.1	Very high	93.9	Very high	77 Å²	77	39.2 Å²	39.2	34%	0.335	18%	0.184	S	C	.	.	S	Bend	trans	-75.8	-14.4	-175.8	-54.1	-179.5	-167.8	151.4	0	113.5	H236 H237 N277 D323	H236-K275 HydrophobicContact CB-CB 4.44Å; H236-K275 HydrophobicContact CB-CD 3.93Å; H236-K275 HydrophobicContact CB-CG 4.48Å; H236-K275 CarbonylContact O-C 3.56Å; H236-K275 WeakPolarHBondContact O-CB 3.46Å; H237-K275 PolarHBondContact ND1-O 2.95Å; K275-N277 PolarHBondContact O-N 2.92Å; K275-N277 VanDerWaalsContact O-N 3.14Å; K275-D323 WeakPolarHBondContact CE-OD2 3.41Å; K275-D323 IonicContact NZ-OD2 2.68Å; K275-D323 PolarHBondContact NZ-OD2 3.3Å
276	N	95.6	Very high	93.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-85.6	57.9	171	-166.7	2.9	0	0	0	111.2	H236 H237 C238 V240 H255 Y256 N274	H236-N276 PolarHBondContact O-N 3.12Å; H237-N276 WeakPolarHBondContact O-CA 3.4Å; H237-N276 WeakPolarHBondContact O-CB 3.23Å; H237-N276 PolarHBondContact O-OD1 3.29Å; C238-N276 PolarHBondContact O-ND2 3.13Å; V240-N276 HydrophobicContact CG2-CB 3.58Å; V240-N276 PolarHBondContact O-ND2 2.02Å; H255-N276 WeakPolarHBondContact CA-OD1 2.98Å; H255-N276 WeakPolarHBondContact CB-O 3.33Å; Y256-N276 PolarHBondContact N-OD1 2.83Å; Y256-N276 PolarHBondContact O-ND2 3.32Å; N274-N276 VanDerWaalsContact C-N 3.27Å; N274-N276 PolarHBondContact O-N 3.35Å; N274-N276 PolarHBondContact OD1-O 2.97Å
277	N	95.9	Very high	93.6	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.059	17%	0.169	C	C	.	.			trans	-149.5	106.8	-177.5	-176.2	-26	0	0	0	108.9	R253 F266 F268 E273 N274 K275	R253-N277 WeakPolarHBondContact CB-OD1 3.15Å; R253-N277 VanDerWaalsContact CD-OD1 3.28Å; R253-N277 WeakPolarHBondContact CD-OD1 3.4Å; R253-N277 WeakPolarHBondContact CG-OD1 3.21Å; R253-N277 PolarHBondContact NH1-ND2 3.07Å; R253-N277 PolarHBondContact NH1-OD1 3.19Å; F266-N277 HydrophobicContact CZ-CB 4.39Å; F268-N277 WeakPolarHBondContact CD2-ND2 3.27Å; F268-N277 WeakPolarHBondContact CG-ND2 3.37Å; E273-N277 HydrophobicContact CB-CB 4.29Å; N274-N277 WeakPolarHBondContact O-CB 2.97Å; K275-N277 PolarHBondContact O-N 2.92Å; K275-N277 VanDerWaalsContact O-N 3.14Å
278	Y	96	Very high	93.4	Very high	10 Å²	10	32.1 Å²	32.1	4%	0.039	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-119	144.7	-173.4	-56.4	-86.6	0	0	0	110.4	H237 R253 W254 E283 C284 A287	H237-Y278 PolarHBondContact O-OH 2.84Å; H237-Y278 VanDerWaalsContact O-OH 3.05Å; R253-Y278 CarbonylContact C-O 3.59Å; R253-Y278 WeakPolarHBondContact CA-O 3.41Å; W254-Y278 PolarHBondContact N-O 3.15Å; W254-Y278 PolarHBondContact O-N 3.37Å; Y278-E283 HydrophobicContact CD1-CB 4Å; Y278-C284 HydrophobicContact CD2-CB 3.51Å; Y278-C284 HydrophobicContact CE2-CB 4.12Å; Y278-C284 HydrophobicContact CG-CB 3.75Å; Y278-A287 HydrophobicContact CE1-CB 3.63Å; Y278-A287 VanDerWaalsContact OH-CB 3.24Å; Y278-A287 WeakPolarHBondContact OH-CB 2.9Å
279	I	93.5	Very high	93	Very high	43 Å²	43	37.9 Å²	37.9	22%	0.221	18%	0.175	C	C	.	.	S	Bend	trans	-74.7	-39.7	175.4	-64.9	178.6	0	0	0	110.3	D51 G52 Y100	D51-I279 WeakPolarHBondContact O-CD1 3.13Å; G52-I279 VanDerWaalsContact CA-CD1 3.47Å; Y100-I279 HydrophobicContact CD1-CD1 3.39Å; Y100-I279 HydrophobicContact CD1-CG1 4.23Å; Y100-I279 HydrophobicContact CD2-CD1 3.83Å; Y100-I279 HydrophobicContact CD2-CG1 4.32Å; Y100-I279 HydrophobicContact CE1-CB 4.12Å; Y100-I279 HydrophobicContact CE1-CD1 3.44Å; Y100-I279 VanDerWaalsContact CE1-CD1 3.44Å; Y100-I279 HydrophobicContact CE1-CG1 3.78Å; Y100-I279 HydrophobicContact CE2-CD1 3.87Å; Y100-I279 HydrophobicContact CE2-CG1 3.88Å; Y100-I279 HydrophobicContact CG-CD1 3.58Å; Y100-I279 HydrophobicContact CG-CG1 4.47Å; Y100-I279 PolarHBondContact OH-N 2.78Å; Y100-I279 VanDerWaalsContact OH-N 3.13Å
280	K	92.6	Very high	92.4	Very high	63 Å²	63	41 Å²	41	27%	0.274	21%	0.207	S	C	.	.	S	Bend	trans	-113	146.8	-176.9	-61.9	-179.6	173.6	-172.2	0	111.9	E282 E283 C284 D399	K280-E282 VanDerWaalsContact C-N 3.3Å; K280-E282 PolarHBondContact O-N 3.49Å; K280-E283 HydrophobicContact CB-CB 4.43Å; K280-E283 HydrophobicContact CB-CG 4.01Å; K280-E283 PolarHBondContact O-N 2.87Å; K280-C284 PolarHBondContact O-N 2.8Å; K280-D399 VanDerWaalsContact CE-OD1 3.23Å; K280-D399 WeakPolarHBondContact CE-OD1 3.2Å; K280-D399 IonicContact NZ-OD1 3.97Å; K280-D399 PolarHBondContact NZ-OD1 2.96Å; K280-D399 IonicContact NZ-OD2 3.34Å; K280-D399 PolarHBondContact NZ-OD2 3.02Å
281	E	94.7	Very high	91.5	Very high	79 Å²	79	42 Å²	42	37%	0.369	21%	0.213	S	C	.	.	H	α-helix	trans	-59.3	-43.3	173.9	-170.5	-178.4	174.9	0	0	111.3	W254 C263 E283 C284 Q285	W254-E281 HydrophobicContact CD2-CB 3.67Å; W254-E281 HydrophobicContact CD2-CG 3.98Å; W254-E281 HydrophobicContact CE3-CB 3.92Å; W254-E281 HydrophobicContact CE3-CG 3.67Å; W254-E281 HydrophobicContact CG-CB 4.22Å; W254-E281 HydrophobicContact CH2-CB 3.95Å; W254-E281 HydrophobicContact CH2-CG 3.83Å; W254-E281 WeakPolarHBondContact CH2-OE2 3.47Å; W254-E281 HydrophobicContact CZ2-CB 3.74Å; W254-E281 HydrophobicContact CZ2-CG 4.16Å; W254-E281 HydrophobicContact CZ3-CB 4.04Å; W254-E281 HydrophobicContact CZ3-CG 3.58Å; C263-E281 HydrophobicContact CB-CG 4.13Å; E281-E283 VanDerWaalsContact C-N 3.28Å; E281-E283 PolarHBondContact O-N 2.75Å; E281-C284 WeakPolarHBondContact O-CB 3.29Å; E281-C284 PolarHBondContact O-N 3.37Å; E281-C284 VanDerWaalsContact O-N 3.12Å; E281-Q285 HydrophobicContact CG-CG 4.26Å; E281-Q285 WeakPolarHBondContact O-CG 3.39Å; E281-Q285 PolarHBondContact O-N 2.53Å; E281-Q285 PolarHBondContact OE1-NE2 2.86Å
282	E	92.1	Very high	89.9	Confident	109 Å²	109	44.3 Å²	44.3	51%	0.509	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-36.8	-178.9	-169.5	-173.1	165.7	0	0	112.4	K280 Q285 K286	K280-E282 VanDerWaalsContact C-N 3.3Å; K280-E282 PolarHBondContact O-N 3.49Å; E282-Q285 PolarHBondContact O-N 3.06Å; E282-K286 HydrophobicContact CG-CD 4.22Å; E282-K286 WeakPolarHBondContact O-CB 3.12Å; E282-K286 WeakPolarHBondContact O-CG 3.23Å; E282-K286 PolarHBondContact O-N 2.93Å; E282-K286 VanDerWaalsContact OE1-CE 3.26Å; E282-K286 WeakPolarHBondContact OE1-CE 3.36Å; E282-K286 IonicContact OE1-NZ 3.94Å; E282-K286 PolarHBondContact OE1-NZ 2.04Å
283	E	94.1	Very high	88	Confident	44 Å²	44	46 Å²	46	21%	0.206	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-45.4	175.2	-68.5	171.9	-174.5	0	0	111	Y100 Y278 K280 E281 K286 A287	Y100-E283 WeakPolarHBondContact CE1-OE2 3.29Å; Y100-E283 PolarHBondContact OH-OE2 3.42Å; Y278-E283 HydrophobicContact CD1-CB 4Å; K280-E283 HydrophobicContact CB-CB 4.43Å; K280-E283 HydrophobicContact CB-CG 4.01Å; K280-E283 PolarHBondContact O-N 2.87Å; E281-E283 VanDerWaalsContact C-N 3.28Å; E281-E283 PolarHBondContact O-N 2.75Å; E283-K286 PolarHBondContact O-N 3.09Å; E283-A287 VanDerWaalsContact O-CB 3.26Å; E283-A287 WeakPolarHBondContact O-CB 3.09Å; E283-A287 PolarHBondContact O-N 3.37Å
284	C	95.8	Very high	86.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-45.1	175.2	171.8	0	0	0	0	111.5	W254 H255 Y256 C263 Y278 K280 E281 A287 C288	W254-C284 HydrophobicContact CB-CB 4.12Å; H255-C284 VanDerWaalsContact C-SG 3.58Å; Y256-C284 PolarHBondContact N-SG 3.2Å; Y256-C284 VanDerWaalsContact N-SG 3.44Å; C263-C284 HydrophobicContact CB-CB 3.85Å; C263-C284 WeakPolarHBondContact CB-SG 3.33Å; C263-C284 WeakPolarHBondContact SG-CB 3.35Å; C263-C284 CovalentContact SG-SG 2.04Å; C263-C284 PolarHBondContact SG-SG 2.04Å; Y278-C284 HydrophobicContact CD2-CB 3.51Å; Y278-C284 HydrophobicContact CE2-CB 4.12Å; Y278-C284 HydrophobicContact CG-CB 3.75Å; K280-C284 PolarHBondContact O-N 2.8Å; E281-C284 WeakPolarHBondContact O-CB 3.29Å; E281-C284 PolarHBondContact O-N 3.37Å; E281-C284 VanDerWaalsContact O-N 3.12Å; C284-A287 PolarHBondContact O-N 2.9Å; C284-C288 WeakPolarHBondContact O-CB 3.09Å; C284-C288 PolarHBondContact O-N 3.22Å
285	Q	93.7	Very high	83.8	Confident	89 Å²	89	54.8 Å²	54.8	42%	0.416	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-50.8	179.6	-71	-180	3.3	0	0	110.3	C263 E281 E282 A287 C288 H289	C263-Q285 HydrophobicContact CB-CG 4.37Å; C263-Q285 PolarHBondContact SG-N 3.31Å; E281-Q285 HydrophobicContact CG-CG 4.26Å; E281-Q285 WeakPolarHBondContact O-CG 3.39Å; E281-Q285 PolarHBondContact O-N 2.53Å; E281-Q285 PolarHBondContact OE1-NE2 2.86Å; E282-Q285 PolarHBondContact O-N 3.06Å; Q285-A287 VanDerWaalsContact C-N 3.28Å; Q285-A287 PolarHBondContact O-N 3.26Å; Q285-C288 PolarHBondContact O-N 2.87Å; Q285-H289 WeakPolarHBondContact O-CB 3.39Å; Q285-H289 PolarHBondContact O-N 3.26Å
286	K	92.5	Very high	81.2	Confident	74 Å²	74	55.4 Å²	55.4	32%	0.322	35%	0.351	S	S	.	.	H	α-helix	trans	-57.4	-40.8	177.1	-77.5	172.6	171	169.3	0	112.5	V151 Q152 E282 E283	V151-K286 VanDerWaalsContact CA-O 3.32Å; V151-K286 WeakPolarHBondContact CA-O 3.45Å; V151-K286 HydrophobicContact CG1-CB 4.16Å; Q152-K286 PolarHBondContact N-O 3.4Å; E282-K286 HydrophobicContact CG-CD 4.22Å; E282-K286 WeakPolarHBondContact O-CB 3.12Å; E282-K286 WeakPolarHBondContact O-CG 3.23Å; E282-K286 PolarHBondContact O-N 2.93Å; E282-K286 VanDerWaalsContact OE1-CE 3.26Å; E282-K286 WeakPolarHBondContact OE1-CE 3.36Å; E282-K286 IonicContact OE1-NZ 3.94Å; E282-K286 PolarHBondContact OE1-NZ 2.04Å; E283-K286 PolarHBondContact O-N 3.09Å
287	A	94.4	Very high	78.5	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-73.6	-25.6	-178.6	0	0	0	0	0	114.1	V150 Q152 L229 C238 Y278 E283 C284 Q285	V150-A287 HydrophobicContact CB-CB 4.3Å; V150-A287 HydrophobicContact CG1-CB 4.06Å; V150-A287 WeakPolarHBondContact O-CA 3.05Å; V150-A287 PolarHBondContact O-N 3.3Å; Q152-A287 VanDerWaalsContact CG-O 3.28Å; Q152-A287 WeakPolarHBondContact CG-O 3.36Å; Q152-A287 PolarHBondContact NE2-O 2.98Å; L229-A287 VanDerWaalsContact CD1-O 3.31Å; L229-A287 WeakPolarHBondContact CD1-O 3.44Å; C238-A287 PolarHBondContact SG-O 2.78Å; Y278-A287 HydrophobicContact CE1-CB 3.63Å; Y278-A287 VanDerWaalsContact OH-CB 3.24Å; Y278-A287 WeakPolarHBondContact OH-CB 2.9Å; E283-A287 VanDerWaalsContact O-CB 3.26Å; E283-A287 WeakPolarHBondContact O-CB 3.09Å; E283-A287 PolarHBondContact O-N 3.37Å; C284-A287 PolarHBondContact O-N 2.9Å; Q285-A287 VanDerWaalsContact C-N 3.28Å; Q285-A287 PolarHBondContact O-N 3.26Å
288	C	93.6	Very high	76.1	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-131.7	-3.9	-168	-60.9	0	0	0	0	116.2	C238 Y256 C284 Q285 G290 T291	C238-C288 WeakPolarHBondContact CA-SG 3.42Å; C238-C288 HydrophobicContact CB-CB 3.75Å; C238-C288 WeakPolarHBondContact CB-SG 3.37Å; C238-C288 WeakPolarHBondContact SG-CA 3.41Å; C238-C288 WeakPolarHBondContact SG-CB 3.29Å; C238-C288 CovalentContact SG-SG 2.04Å; C238-C288 PolarHBondContact SG-SG 2.82Å; Y256-C288 HydrophobicContact CD1-CB 3.87Å; Y256-C288 HydrophobicContact CD2-CB 3.43Å; Y256-C288 VanDerWaalsContact CD2-CB 3.43Å; Y256-C288 HydrophobicContact CE1-CB 4.34Å; Y256-C288 HydrophobicContact CE2-CB 3.96Å; Y256-C288 HydrophobicContact CG-CB 3.37Å; C284-C288 WeakPolarHBondContact O-CB 3.09Å; C284-C288 PolarHBondContact O-N 3.22Å; Q285-C288 PolarHBondContact O-N 2.87Å; C288-G290 PolarHBondContact O-N 3.34Å; C288-T291 WeakPolarHBondContact O-CB 3.5Å; C288-T291 VanDerWaalsContact O-CG2 3.24Å; C288-T291 WeakPolarHBondContact O-CG2 3.11Å; C288-T291 PolarHBondContact O-N 3.35Å; C288-T291 PolarHBondContact O-OG1 3.33Å
289	H	86.5	Confident	74	Confident	122 Å²	122	76.1 Å²	76.1	57%	0.565	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	136.1	178.3	-168.6	80.8	0	0	0	111.6	Q152 E155 Q285 T291	Q152-H289 WeakPolarHBondContact CG-O 3.29Å; E155-H289 IonicContact OE1-CD2 2.94Å; Q285-H289 WeakPolarHBondContact O-CB 3.39Å; Q285-H289 PolarHBondContact O-N 3.26Å; H289-T291 VanDerWaalsContact C-N 3.3Å; H289-T291 PolarHBondContact O-N 3.23Å
290	G	78.6	Confident	72.3	Confident	64 Å²	64	79.8 Å²	79.8	66%	0.66	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	10.1	177.7	0	0	0	0	0	115.6	C288 G292	C288-G290 PolarHBondContact O-N 3.34Å; G290-G292 PolarHBondContact O-N 3.45Å
291	T	70.7	Confident	71.1	Confident	21 Å²	21	79.1 Å²	79.1	13%	0.129	47%	0.465	C	S	.	.			trans	-71.3	-4.5	173.6	53.2	0	0	0	0	113.9	Q152 C238 Y256 C288 H289 G293	Q152-T291 HydrophobicContact CG-CG2 3.91Å; C238-T291 HydrophobicContact CB-CG2 4.41Å; Y256-T291 WeakPolarHBondContact CE1-OG1 3.4Å; Y256-T291 PolarHBondContact OH-OG1 3.25Å; C288-T291 WeakPolarHBondContact O-CB 3.5Å; C288-T291 VanDerWaalsContact O-CG2 3.24Å; C288-T291 WeakPolarHBondContact O-CG2 3.11Å; C288-T291 PolarHBondContact O-N 3.35Å; C288-T291 PolarHBondContact O-OG1 3.33Å; H289-T291 VanDerWaalsContact C-N 3.3Å; H289-T291 PolarHBondContact O-N 3.23Å; T291-G293 VanDerWaalsContact C-N 3.33Å; T291-G293 PolarHBondContact O-N 3.07Å
292	G	56.6	Low	70.1	Confident	49 Å²	49	77.3 Å²	77.3	51%	0.505	47%	0.467	S	S	.	.			trans	-70.9	76.6	174.1	0	0	0	0	0	113.1	G290	G290-G292 PolarHBondContact O-N 3.45Å
293	G	49.9	Very low	69.9	Low	54 Å²	54	74 Å²	74	56%	0.557	45%	0.451	S	S	*	.			trans	-132.3	136.8	171.1	0	0	0	0	0	111.7	T291 S295	T291-G293 VanDerWaalsContact C-N 3.33Å; T291-G293 PolarHBondContact O-N 3.07Å; G293-S295 PolarHBondContact O-N 2.74Å
294	P	53.1	Low	69.6	Low	132 Å²	132	78 Å²	78	86%	0.857	47%	0.47	S	S	*	.			trans	-78.9	107	-178.4	31.5	-30.7	0	0	0	110
295	S	44.9	Very low	69.4	Low	109 Å²	109	81.6 Å²	81.6	76%	0.762	50%	0.495	S	S	*	.			trans	-153.7	79.8	160	-87.4	0	0	0	0	111.2	G293 R297	G293-S295 PolarHBondContact O-N 2.74Å; S295-R297 PolarHBondContact O-N 3.14Å
296	G	40.9	Very low	69.1	Low	90 Å²	90	81.5 Å²	81.5	93%	0.928	52%	0.518	S	S	*	.				49	3.1	101.4	0	0	0	0	0	120.8
297	R	39.3	Very low	68.8	Low	214 Å²	214	80.5 Å²	80.5	81%	0.808	52%	0.523	S	S	*	.			trans	-130.7	86.8	161.8	-80.6	-174.4	174.1	-179.3	-2	106.1	S295 L299	S295-R297 PolarHBondContact O-N 3.14Å; R297-L299 PolarHBondContact O-N 3.02Å
298	H	44.5	Very low	68.6	Low	154 Å²	154	86.4 Å²	86.4	71%	0.713	56%	0.562	S	S	*	*			trans	-53.8	97.3	153.3	-175.6	73.4	0	0	0	105.7	T300	H298-T300 PolarHBondContact O-N 3.18Å
299	L	51.8	Low	68.4	Low	88 Å²	88	88.1 Å²	88.1	46%	0.461	57%	0.573	S	S	.	*			trans	-56.5	114	164.9	-84.8	149.9	0	0	0	103.8	E235 R297 I301	E235-L299 HydrophobicContact CG-CD1 4.31Å; R297-L299 PolarHBondContact O-N 3.02Å; L299-I301 WeakPolarHBondContact O-CG1 3.45Å; L299-I301 PolarHBondContact O-N 3.09Å
300	T	57	Low	68.4	Low	121 Å²	121	85.7 Å²	85.7	74%	0.742	57%	0.567	S	S	*	*			trans	-63.3	97.7	173.1	45.9	0	0	0	0	106.1	H298 G302	H298-T300 PolarHBondContact O-N 3.18Å; T300-G302 PolarHBondContact O-N 2.96Å; T300-G302 VanDerWaalsContact O-N 3.08Å
301	I	68.6	Low	68.6	Low	49 Å²	49	86.6 Å²	86.6	25%	0.251	56%	0.561	S	S	.	*			trans	-68.4	106.7	174.5	-50.7	-179	0	0	0	105.4	E235 V240 L299 L326	E235-I301 HydrophobicContact CB-CD1 4.24Å; V240-I301 HydrophobicContact CG1-CD1 3.96Å; L299-I301 WeakPolarHBondContact O-CG1 3.45Å; L299-I301 PolarHBondContact O-N 3.09Å; I301-L326 HydrophobicContact CG2-CD1 3.31Å; I301-L326 HydrophobicContact CG2-CD2 4.18Å; I301-L326 HydrophobicContact CG2-CG 4.32Å
302	G	74.1	Confident	69.2	Low	41 Å²	41	89.8 Å²	89.8	42%	0.423	58%	0.577	S	S	.	*			trans	-152.4	173.8	-173.3	0	0	0	0	0	111	T300	T300-G302 PolarHBondContact O-N 2.96Å; T300-G302 VanDerWaalsContact O-N 3.08Å
303	E	86.6	Confident	70.7	Confident	38 Å²	38	89.9 Å²	89.9	18%	0.178	57%	0.565	C	S	.	*			trans	-63	141.7	-179.1	70.8	-179.4	-177.5	0	0	112.4	N318 C320 C321 C334 S335	E303-N318 PolarHBondContact OE1-ND2 3.03Å; E303-N318 PolarHBondContact OE2-ND2 2.81Å; E303-C320 HydrophobicContact CB-CB 3.85Å; E303-C320 HydrophobicContact CG-CB 3.97Å; E303-C321 CarbonylContact C-O 3.59Å; E303-C321 WeakPolarHBondContact CA-O 3.37Å; E303-C334 WeakPolarHBondContact OE2-CA 3.19Å; E303-S335 VanDerWaalsContact CD-N 3.28Å; E303-S335 WeakPolarHBondContact OE1-CB 3.33Å; E303-S335 PolarHBondContact OE1-N 3.06Å; E303-S335 PolarHBondContact OE1-OG 3.49Å; E303-S335 PolarHBondContact OE2-N 3.38Å
304	Q	89.4	Confident	72.6	Confident	129 Å²	129	88.9 Å²	88.9	60%	0.603	55%	0.545	S	S	*	.	B	Isolated β-bridge	trans	-111.1	119.1	173.4	-172.1	176.9	-1.3	0	0	109.7	C321	Q304-C321 PolarHBondContact N-O 3.06Å; Q304-C321 PolarHBondContact O-N 3.35Å
305	C	91.5	Very high	74.5	Confident	75 Å²	75	86.2 Å²	86.2	51%	0.507	53%	0.526	S	S	.	.			trans	-104.9	155.9	-176.6	-50.1	0	0	0	0	112	C320	C305-C320 HydrophobicContact CB-CB 4.04Å; C305-C320 WeakPolarHBondContact CB-SG 3.48Å; C305-C320 WeakPolarHBondContact SG-CB 3.5Å; C305-C320 CovalentContact SG-SG 2.03Å; C305-C320 PolarHBondContact SG-SG 2.93Å
306	G	86.3	Confident	76.7	Confident	88 Å²	88	81.1 Å²	81.1	91%	0.907	49%	0.491	S	S	*	.	S	Bend	trans	95.8	0.7	170.9	0	0	0	0	0	115.9
307	A	87.6	Confident	79.2	Confident	53 Å²	53	82.8 Å²	82.8	44%	0.438	48%	0.479	S	S	.	.	S	Bend	trans	-128.4	152.7	171.4	0	0	0	0	0	110.1	C321	A307-C321 PolarHBondContact O-SG 2.02Å
308	P	88.6	Confident	81.7	Confident	124 Å²	124	76 Å²	76	81%	0.805	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-66.4	137.3	171.3	28.9	-33.6	0	0	0	109.9
309	C	89.2	Confident	83.9	Confident	36 Å²	36	70.7 Å²	70.7	24%	0.243	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-65.6	142.8	-177.9	-52.5	0	0	0	0	111.5	Q313 T315 C321	C309-Q313 HydrophobicContact CB-CB 4.01Å; C309-T315 PolarHBondContact SG-OG1 3.42Å; C309-T315 VanDerWaalsContact SG-OG1 3.34Å; C309-C321 WeakPolarHBondContact CA-SG 3.36Å; C309-C321 HydrophobicContact CB-CB 3.79Å; C309-C321 WeakPolarHBondContact CB-SG 3.3Å; C309-C321 PolarHBondContact N-SG 2.86Å; C309-C321 WeakPolarHBondContact SG-CA 3.42Å; C309-C321 WeakPolarHBondContact SG-CB 3.31Å; C309-C321 CovalentContact SG-SG 2.04Å; C309-C321 PolarHBondContact SG-SG 3.41Å
310	T	88.1	Confident	86	Confident	70 Å²	70	67 Å²	67	43%	0.429	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-71.4	161.5	171.6	68.8	0	0	0	0	110	D312 Q313	T310-D312 PolarHBondContact O-N 2.97Å; T310-D312 VanDerWaalsContact O-N 3.12Å; T310-Q313 PolarHBondContact O-N 3.22Å; T310-Q313 WeakPolarHBondContact OG1-CG 3.25Å; T310-Q313 PolarHBondContact OG1-OE1 3.46Å
311	P	83.1	Confident	87.7	Confident	83 Å²	83	61.5 Å²	61.5	54%	0.539	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.5	-179.8	-21.4	33	0	0	0	113.9	P75 Q313	P75-P311 HydrophobicContact CB-CB 3.6Å; P75-P311 HydrophobicContact CG-CB 3.39Å; P75-P311 WeakPolarHBondContact CG-O 3.37Å; P311-Q313 VanDerWaalsContact C-N 3.35Å
312	D	81.4	Confident	88.8	Confident	88 Å²	88	59.2 Å²	59.2	47%	0.471	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	0.8	177.4	-65.7	-53.9	0	0	0	113.9	K76 T310 R324	K76-D312 WeakPolarHBondContact CE-OD1 3.01Å; T310-D312 PolarHBondContact O-N 2.97Å; T310-D312 VanDerWaalsContact O-N 3.12Å; D312-R324 WeakPolarHBondContact O-CB 3.22Å; D312-R324 PolarHBondContact O-N 2.88Å
313	Q	89.3	Confident	89.6	Confident	51 Å²	51	58.5 Å²	58.5	24%	0.238	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	146.5	179.3	-74.8	173.9	-29.1	0	0	112	C309 T310 P311 C321 L322	C309-Q313 HydrophobicContact CB-CB 4.01Å; T310-Q313 PolarHBondContact O-N 3.22Å; T310-Q313 WeakPolarHBondContact OG1-CG 3.25Å; T310-Q313 PolarHBondContact OG1-OE1 3.46Å; P311-Q313 VanDerWaalsContact C-N 3.35Å; Q313-C321 HydrophobicContact CB-CB 4.33Å; Q313-L322 CarbonylContact C-O 3.59Å; Q313-L322 VanDerWaalsContact CA-O 3.25Å; Q313-L322 WeakPolarHBondContact CA-O 3.32Å; Q313-L322 WeakPolarHBondContact CB-O 3.32Å
314	F	90	Very high	89.7	Confident	34 Å²	34	59.6 Å²	59.6	15%	0.149	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	139.1	164.9	173.2	-112.2	0	0	0	109.9	C321 L322 K327 D339	F314-C321 WeakPolarHBondContact O-CA 3.17Å; F314-L322 HydrophobicContact CD1-CB 4.31Å; F314-L322 HydrophobicContact CD1-CD2 4.32Å; F314-L322 PolarHBondContact N-O 3.01Å; F314-L322 PolarHBondContact O-N 2.91Å; F314-K327 HydrophobicContact CD1-CD 4.49Å; F314-K327 HydrophobicContact CD2-CD 3.71Å; F314-K327 HydrophobicContact CE2-CD 3.87Å; F314-K327 HydrophobicContact CG-CB 4.43Å; F314-K327 HydrophobicContact CG-CD 4.04Å; F314-K327 HydrophobicContact CG-CG 4.47Å; F314-K327 HydrophobicContact CZ-CD 4.32Å; F314-D339 HydrophobicContact CD1-CB 4.48Å; F314-D339 HydrophobicContact CE1-CB 4.11Å
315	T	91.9	Very high	89.7	Confident	75 Å²	75	53.7 Å²	53.7	46%	0.46	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	115.2	174.2	-50.5	0	0	0	0	109	C309 C320	C309-T315 PolarHBondContact SG-OG1 3.42Å; C309-T315 VanDerWaalsContact SG-OG1 3.34Å; T315-C320 WeakPolarHBondContact CA-O 3.47Å
316	C	92.6	Very high	89.7	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.02	32%	0.323	C	S	.	.			trans	-63.6	159.6	171.6	-56.3	0	0	0	0	110.5	N318 G319 C320 C334 S338	C316-N318 WeakPolarHBondContact CB-OD1 3.4Å; C316-N318 PolarHBondContact O-N 2.85Å; C316-G319 WeakPolarHBondContact O-CA 3.37Å; C316-G319 PolarHBondContact O-N 3.46Å; C316-C320 PolarHBondContact N-O 3.5Å; C316-C334 HydrophobicContact CB-CB 3.78Å; C316-C334 WeakPolarHBondContact CB-SG 3.35Å; C316-C334 WeakPolarHBondContact SG-CB 3.38Å; C316-C334 CovalentContact SG-SG 2.04Å; C316-C334 PolarHBondContact SG-SG 2.92Å; C316-S338 WeakPolarHBondContact CA-OG 3.02Å; C316-S338 WeakPolarHBondContact CB-OG 3.49Å
317	D	93.1	Very high	90	Very high	125 Å²	125	48.2 Å²	48.2	67%	0.668	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.7	-179	-65	-29.3	0	0	0	112.3	G319 D336 S338	D317-G319 PolarHBondContact O-N 2.96Å; D317-D336 WeakPolarHBondContact CA-OD2 3.26Å; D317-D336 VanDerWaalsContact CB-OD2 3.28Å; D317-D336 WeakPolarHBondContact CB-OD2 3.11Å; D317-D336 PolarHBondContact N-OD2 3.3Å; D317-D336 VanDerWaalsContact N-OD2 3.09Å; D317-S338 PolarHBondContact N-OG 2.96Å; D317-S338 VanDerWaalsContact OD2-CB 3.25Å; D317-S338 WeakPolarHBondContact OD2-CB 2.96Å
318	N	91.2	Very high	90.2	Very high	71 Å²	71	46.1 Å²	46.1	38%	0.38	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-3.4	173.1	68.4	4.5	0	0	0	114	E303 C316 C320 D336	E303-N318 PolarHBondContact OE1-ND2 3.03Å; E303-N318 PolarHBondContact OE2-ND2 2.81Å; C316-N318 WeakPolarHBondContact CB-OD1 3.4Å; C316-N318 PolarHBondContact O-N 2.85Å; N318-C320 VanDerWaalsContact OD1-CB 3.29Å; N318-C320 WeakPolarHBondContact OD1-CB 3.22Å; N318-C320 PolarHBondContact OD1-N 3.09Å; N318-C320 PolarHBondContact OD1-SG 2.75Å; N318-C320 VanDerWaalsContact OD1-SG 3.4Å; N318-D336 WeakPolarHBondContact CB-OD2 3.18Å; N318-D336 PolarHBondContact N-OD2 2.81Å
319	G	91.3	Very high	90.3	Very high	43 Å²	43	42.3 Å²	42.3	44%	0.443	24%	0.242	S	C	.	.	S	Bend	trans	84	7.2	-179.9	0	0	0	0	0	115.2	C316 D317	C316-G319 WeakPolarHBondContact O-CA 3.37Å; C316-G319 PolarHBondContact O-N 3.46Å; D317-G319 PolarHBondContact O-N 2.96Å
320	C	94.4	Very high	90.3	Very high	10 Å²	10	49.4 Å²	49.4	7%	0.068	27%	0.272	C	S	.	.			trans	-82.3	160.5	173.3	-56.4	0	0	0	0	111.4	E303 C305 T315 C316 N318	E303-C320 HydrophobicContact CB-CB 3.85Å; E303-C320 HydrophobicContact CG-CB 3.97Å; C305-C320 HydrophobicContact CB-CB 4.04Å; C305-C320 WeakPolarHBondContact CB-SG 3.48Å; C305-C320 WeakPolarHBondContact SG-CB 3.5Å; C305-C320 CovalentContact SG-SG 2.03Å; C305-C320 PolarHBondContact SG-SG 2.93Å; T315-C320 WeakPolarHBondContact CA-O 3.47Å; C316-C320 PolarHBondContact N-O 3.5Å; N318-C320 VanDerWaalsContact OD1-CB 3.29Å; N318-C320 WeakPolarHBondContact OD1-CB 3.22Å; N318-C320 PolarHBondContact OD1-N 3.09Å; N318-C320 PolarHBondContact OD1-SG 2.75Å; N318-C320 VanDerWaalsContact OD1-SG 3.4Å
321	C	93.4	Very high	90.4	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.034	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.9	-173.8	-52.2	0	0	0	0	110.5	E303 Q304 A307 C309 Q313 F314	E303-C321 CarbonylContact C-O 3.59Å; E303-C321 WeakPolarHBondContact CA-O 3.37Å; Q304-C321 PolarHBondContact N-O 3.06Å; Q304-C321 PolarHBondContact O-N 3.35Å; A307-C321 PolarHBondContact O-SG 2.02Å; C309-C321 WeakPolarHBondContact CA-SG 3.36Å; C309-C321 HydrophobicContact CB-CB 3.79Å; C309-C321 WeakPolarHBondContact CB-SG 3.3Å; C309-C321 PolarHBondContact N-SG 2.86Å; C309-C321 WeakPolarHBondContact SG-CA 3.42Å; C309-C321 WeakPolarHBondContact SG-CB 3.31Å; C309-C321 CovalentContact SG-SG 2.04Å; C309-C321 PolarHBondContact SG-SG 3.41Å; Q313-C321 HydrophobicContact CB-CB 4.33Å; F314-C321 WeakPolarHBondContact O-CA 3.17Å
322	L	91.6	Very high	90.9	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.7	179	-172.7	68.2	0	0	0	109	Q313 F314 R324 L326 Q333 D339	Q313-L322 CarbonylContact C-O 3.59Å; Q313-L322 VanDerWaalsContact CA-O 3.25Å; Q313-L322 WeakPolarHBondContact CA-O 3.32Å; Q313-L322 WeakPolarHBondContact CB-O 3.32Å; F314-L322 HydrophobicContact CD1-CB 4.31Å; F314-L322 HydrophobicContact CD1-CD2 4.32Å; F314-L322 PolarHBondContact N-O 3.01Å; F314-L322 PolarHBondContact O-N 2.91Å; L322-R324 PolarHBondContact O-N 2.88Å; L322-L326 HydrophobicContact CD1-CB 4.35Å; L322-L326 HydrophobicContact CD1-CD1 3.6Å; L322-L326 HydrophobicContact CD2-CB 3.97Å; L322-L326 HydrophobicContact CG-CB 4.05Å; L322-L326 HydrophobicContact CG-CD1 4Å; L322-Q333 HydrophobicContact CD1-CB 3.68Å; L322-Q333 HydrophobicContact CD2-CB 4.23Å; L322-D339 HydrophobicContact CD2-CB 3.79Å
323	D	90.1	Very high	91.4	Very high	26 Å²	26	47.4 Å²	47.4	14%	0.139	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	131.2	171.2	-174.2	-80.4	0	0	0	109.5	K275 G325 L326	K275-D323 WeakPolarHBondContact CE-OD2 3.41Å; K275-D323 IonicContact NZ-OD2 2.68Å; K275-D323 PolarHBondContact NZ-OD2 3.3Å; D323-G325 PolarHBondContact O-N 3.32Å; D323-G325 VanDerWaalsContact O-N 3.07Å; D323-G325 WeakPolarHBondContact OD1-CA 3.25Å; D323-G325 PolarHBondContact OD1-N 3.14Å; D323-L326 HydrophobicContact CB-CD1 3.96Å; D323-L326 HydrophobicContact CB-CG 4.27Å; D323-L326 WeakPolarHBondContact O-CB 3.47Å; D323-L326 PolarHBondContact O-N 3.22Å
324	R	89.6	Confident	91.5	Very high	61 Å²	61	45.2 Å²	45.2	23%	0.23	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.1	-176.3	179.1	178.1	-93.1	-166.5	-16.2	112.3	D74 D312 L322 L326 K327	D74-R324 IonicContact OD1-CZ 2.78Å; D74-R324 IonicContact OD1-NH1 3.36Å; D74-R324 PolarHBondContact OD1-NH1 3.38Å; D74-R324 VanDerWaalsContact OD1-NH1 3.14Å; D74-R324 IonicContact OD1-NH2 3.87Å; D74-R324 IonicContact OD2-CZ 2.82Å; D74-R324 IonicContact OD2-NH1 3.43Å; D74-R324 PolarHBondContact OD2-NH1 2.91Å; D74-R324 IonicContact OD2-NH2 2.7Å; D74-R324 PolarHBondContact OD2-NH2 3.04Å; D312-R324 WeakPolarHBondContact O-CB 3.22Å; D312-R324 PolarHBondContact O-N 2.88Å; L322-R324 PolarHBondContact O-N 2.88Å; R324-L326 PolarHBondContact O-N 2.96Å; R324-K327 PolarHBondContact O-N 3.49Å
325	G	89.8	Confident	91.6	Very high	5 Å²	5	48.7 Å²	48.7	5%	0.052	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.3	176.5	0	0	0	0	0	114.7	K243 D323	K243-G325 WeakPolarHBondContact CD-O 3.27Å; K243-G325 PolarHBondContact NZ-O 3.07Å; D323-G325 PolarHBondContact O-N 3.32Å; D323-G325 VanDerWaalsContact O-N 3.07Å; D323-G325 WeakPolarHBondContact OD1-CA 3.25Å; D323-G325 PolarHBondContact OD1-N 3.14Å
326	L	91	Very high	91.7	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.063	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-21.1	-179.1	-58.5	166.8	0	0	0	112.8	I301 L322 D323 R324 C328 D329	I301-L326 HydrophobicContact CG2-CD1 3.31Å; I301-L326 HydrophobicContact CG2-CD2 4.18Å; I301-L326 HydrophobicContact CG2-CG 4.32Å; L322-L326 HydrophobicContact CD1-CB 4.35Å; L322-L326 HydrophobicContact CD1-CD1 3.6Å; L322-L326 HydrophobicContact CD2-CB 3.97Å; L322-L326 HydrophobicContact CG-CB 4.05Å; L322-L326 HydrophobicContact CG-CD1 4Å; D323-L326 HydrophobicContact CB-CD1 3.96Å; D323-L326 HydrophobicContact CB-CG 4.27Å; D323-L326 WeakPolarHBondContact O-CB 3.47Å; D323-L326 PolarHBondContact O-N 3.22Å; R324-L326 PolarHBondContact O-N 2.96Å; L326-C328 PolarHBondContact O-N 3.09Å; L326-D329 VanDerWaalsContact O-CB 3.29Å; L326-D329 WeakPolarHBondContact O-CB 3.39Å; L326-D329 PolarHBondContact O-N 2.97Å
327	K	91.9	Very high	91.6	Very high	35 Å²	35	47.9 Å²	47.9	15%	0.152	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	127.8	178.4	-177.5	-174	-177.2	172.7	0	112	K243 F314 R324 D339	K243-K327 WeakPolarHBondContact CE-O 3.45Å; K243-K327 PolarHBondContact NZ-O 2.92Å; F314-K327 HydrophobicContact CD1-CD 4.49Å; F314-K327 HydrophobicContact CD2-CD 3.71Å; F314-K327 HydrophobicContact CE2-CD 3.87Å; F314-K327 HydrophobicContact CG-CB 4.43Å; F314-K327 HydrophobicContact CG-CD 4.04Å; F314-K327 HydrophobicContact CG-CG 4.47Å; F314-K327 HydrophobicContact CZ-CD 4.32Å; R324-K327 PolarHBondContact O-N 3.49Å; K327-D339 WeakPolarHBondContact CG-O 3.24Å
328	C	92.4	Very high	91.7	Very high	9 Å²	9	42.3 Å²	42.3	6%	0.061	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	46.2	-178.1	-57.4	0	0	0	0	112.6	K243 P246 L272 L326 D339 E340 C343	K243-C328 WeakPolarHBondContact CE-O 3.04Å; P246-C328 HydrophobicContact CG-CB 4.28Å; L272-C328 HydrophobicContact CD1-CB 3.95Å; L326-C328 PolarHBondContact O-N 3.09Å; C328-D339 PolarHBondContact N-O 3.22Å; C328-E340 WeakPolarHBondContact CA-OE1 3.49Å; C328-E340 WeakPolarHBondContact CA-OE2 3.33Å; C328-E340 PolarHBondContact N-OE1 2.7Å; C328-C343 WeakPolarHBondContact CA-SG 3.19Å; C328-C343 HydrophobicContact CB-CB 3.77Å; C328-C343 WeakPolarHBondContact CB-SG 3.18Å; C328-C343 WeakPolarHBondContact SG-CA 3.26Å; C328-C343 WeakPolarHBondContact SG-CB 3.1Å; C328-C343 CovalentContact SG-SG 2.03Å; C328-C343 PolarHBondContact SG-SG 3.48Å
329	D	90.8	Very high	91.7	Very high	45 Å²	45	38.9 Å²	38.9	24%	0.241	23%	0.229	C	C	.	.	S	Bend	trans	-108.2	13.4	175.4	80.5	-1.6	0	0	0	113.9	K243 L326 T331 Q333 E340	K243-D329 HydrophobicContact CD-CB 4.15Å; L326-D329 VanDerWaalsContact O-CB 3.29Å; L326-D329 WeakPolarHBondContact O-CB 3.39Å; L326-D329 PolarHBondContact O-N 2.97Å; D329-T331 PolarHBondContact O-N 2.04Å; D329-T331 WeakPolarHBondContact OD1-CB 3.36Å; D329-T331 PolarHBondContact OD1-N 3.05Å; D329-T331 VanDerWaalsContact OD1-O 3.04Å; D329-Q333 PolarHBondContact OD1-NE2 3.34Å; D329-Q333 PolarHBondContact OD2-NE2 3.41Å; D329-E340 PolarHBondContact N-OE1 2.92Å; D329-E340 PolarHBondContact N-OE2 2.82Å
330	E	90.3	Very high	91.8	Very high	184 Å²	184	39.2 Å²	39.2	86%	0.86	22%	0.219	S	C	*	.	S	Bend	trans	71.5	2.5	-179.4	-49.5	178.2	-175.8	0	0	114.5	E340	E330-E340 WeakPolarHBondContact CA-OE2 3.46Å; E330-E340 PolarHBondContact N-OE2 3.08Å
331	T	89.9	Confident	91.6	Very high	78 Å²	78	45.1 Å²	45.1	48%	0.479	24%	0.243	S	C	.	.	S	Bend	trans	-120.5	126.8	176.7	-56.9	0	0	0	0	109.6	D329 Q333	D329-T331 PolarHBondContact O-N 2.04Å; D329-T331 WeakPolarHBondContact OD1-CB 3.36Å; D329-T331 PolarHBondContact OD1-N 3.05Å; D329-T331 VanDerWaalsContact OD1-O 3.04Å; T331-Q333 PolarHBondContact O-N 2.71Å; T331-Q333 PolarHBondContact O-NE2 3.18Å; T331-Q333 PolarHBondContact O-OE1 2.81Å
332	P	92.2	Very high	91.2	Very high	92 Å²	92	48.5 Å²	48.5	60%	0.597	27%	0.267	S	S	*	.			trans	-77.3	115.5	175.3	29	-31.9	0	0	0	110.7
333	Q	92.1	Very high	90.9	Very high	30 Å²	30	49.2 Å²	49.2	14%	0.14	27%	0.272	C	S	.	.			trans	-106.7	-25.8	171.8	-54.4	88.9	12.6	0	0	113.4	L322 D329 T331 D339	L322-Q333 HydrophobicContact CD1-CB 3.68Å; L322-Q333 HydrophobicContact CD2-CB 4.23Å; D329-Q333 PolarHBondContact OD1-NE2 3.34Å; D329-Q333 PolarHBondContact OD2-NE2 3.41Å; T331-Q333 PolarHBondContact O-N 2.71Å; T331-Q333 PolarHBondContact O-NE2 3.18Å; T331-Q333 PolarHBondContact O-OE1 2.81Å; Q333-D339 WeakPolarHBondContact CA-OD2 3.34Å; Q333-D339 PolarHBondContact N-OD2 2.97Å; Q333-D339 PolarHBondContact OE1-OD2 2.81Å
334	C	92.3	Very high	90.5	Very high	5 Å²	5	53 Å²	53	3%	0.034	29%	0.293	C	S	.	.	S	Bend	trans	-68.3	136	166.1	-63.3	0	0	0	0	109.2	E303 C316 D336 G337 S338 D339	E303-C334 WeakPolarHBondContact OE2-CA 3.19Å; C316-C334 HydrophobicContact CB-CB 3.78Å; C316-C334 WeakPolarHBondContact CB-SG 3.35Å; C316-C334 WeakPolarHBondContact SG-CB 3.38Å; C316-C334 CovalentContact SG-SG 2.04Å; C316-C334 PolarHBondContact SG-SG 2.92Å; C334-D336 WeakPolarHBondContact CB-OD1 2.77Å; C334-D336 PolarHBondContact O-N 2.95Å; C334-D336 VanDerWaalsContact O-N 3.08Å; C334-G337 PolarHBondContact O-N 2.86Å; C334-S338 PolarHBondContact SG-OG 3.48Å; C334-D339 HydrophobicContact CB-CB 4.48Å; C334-D339 PolarHBondContact N-OD2 2.86Å
335	S	92.8	Very high	89.9	Confident	106 Å²	106	53.4 Å²	53.4	74%	0.741	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.1	179.4	-64.9	0	0	0	0	112.9	E303	E303-S335 VanDerWaalsContact CD-N 3.28Å; E303-S335 WeakPolarHBondContact OE1-CB 3.33Å; E303-S335 PolarHBondContact OE1-N 3.06Å; E303-S335 PolarHBondContact OE1-OG 3.49Å; E303-S335 PolarHBondContact OE2-N 3.38Å
336	D	92.8	Very high	89.3	Confident	45 Å²	45	54 Å²	54	24%	0.241	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-2.8	175.3	63.8	9.6	0	0	0	114	D317 N318 C334 S338 K341	D317-D336 WeakPolarHBondContact CA-OD2 3.26Å; D317-D336 VanDerWaalsContact CB-OD2 3.28Å; D317-D336 WeakPolarHBondContact CB-OD2 3.11Å; D317-D336 PolarHBondContact N-OD2 3.3Å; D317-D336 VanDerWaalsContact N-OD2 3.09Å; N318-D336 WeakPolarHBondContact CB-OD2 3.18Å; N318-D336 PolarHBondContact N-OD2 2.81Å; C334-D336 WeakPolarHBondContact CB-OD1 2.77Å; C334-D336 PolarHBondContact O-N 2.95Å; C334-D336 VanDerWaalsContact O-N 3.08Å; D336-S338 VanDerWaalsContact C-N 3.25Å; D336-S338 PolarHBondContact O-N 3.01Å; D336-S338 WeakPolarHBondContact OD1-CB 3.11Å; D336-S338 PolarHBondContact OD1-N 3.33Å; D336-S338 PolarHBondContact OD1-OG 3.22Å; D336-S338 PolarHBondContact OD2-OG 3.42Å; D336-K341 WeakPolarHBondContact O-CE 3.43Å; D336-K341 PolarHBondContact O-NZ 3.04Å
337	G	91.7	Very high	88.4	Confident	17 Å²	17	55.9 Å²	55.9	18%	0.175	31%	0.309	C	S	.	.			trans	62.2	23.7	-176.6	0	0	0	0	0	114.7	C334 D339 E340 K341	C334-G337 PolarHBondContact O-N 2.86Å; G337-D339 VanDerWaalsContact C-N 3.3Å; G337-D339 WeakPolarHBondContact CA-OD1 3.41Å; G337-E340 PolarHBondContact O-N 3Å; G337-K341 WeakPolarHBondContact O-CG 3.36Å
338	S	93.6	Very high	87.4	Confident	7 Å²	7	58.8 Å²	58.8	5%	0.049	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24.4	-177.3	53.9	0	0	0	0	114.3	C316 D317 C334 D336 E340	C316-S338 WeakPolarHBondContact CA-OG 3.02Å; C316-S338 WeakPolarHBondContact CB-OG 3.49Å; D317-S338 PolarHBondContact N-OG 2.96Å; D317-S338 VanDerWaalsContact OD2-CB 3.25Å; D317-S338 WeakPolarHBondContact OD2-CB 2.96Å; C334-S338 PolarHBondContact SG-OG 3.48Å; D336-S338 VanDerWaalsContact C-N 3.25Å; D336-S338 PolarHBondContact O-N 3.01Å; D336-S338 WeakPolarHBondContact OD1-CB 3.11Å; D336-S338 PolarHBondContact OD1-N 3.33Å; D336-S338 PolarHBondContact OD1-OG 3.22Å; D336-S338 PolarHBondContact OD2-OG 3.42Å; S338-E340 VanDerWaalsContact C-N 3.26Å; S338-E340 PolarHBondContact O-N 3.12Å
339	D	92.6	Very high	86.6	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-35.2	171.1	46.4	-4.6	0	0	0	113.6	F314 L322 K327 C328 Q333 C334 G337	F314-D339 HydrophobicContact CD1-CB 4.48Å; F314-D339 HydrophobicContact CE1-CB 4.11Å; L322-D339 HydrophobicContact CD2-CB 3.79Å; K327-D339 WeakPolarHBondContact CG-O 3.24Å; C328-D339 PolarHBondContact N-O 3.22Å; Q333-D339 WeakPolarHBondContact CA-OD2 3.34Å; Q333-D339 PolarHBondContact N-OD2 2.97Å; Q333-D339 PolarHBondContact OE1-OD2 2.81Å; C334-D339 HydrophobicContact CB-CB 4.48Å; C334-D339 PolarHBondContact N-OD2 2.86Å; G337-D339 VanDerWaalsContact C-N 3.3Å; G337-D339 WeakPolarHBondContact CA-OD1 3.41Å
340	E	92.9	Very high	85.9	Confident	50 Å²	50	58 Å²	58	23%	0.234	32%	0.319	C	S	.	.	S	Bend	trans	-102.4	-4.9	-175	-61.6	-54.5	116.8	0	0	114.7	C328 D329 E330 G337 S338	C328-E340 WeakPolarHBondContact CA-OE1 3.49Å; C328-E340 WeakPolarHBondContact CA-OE2 3.33Å; C328-E340 PolarHBondContact N-OE1 2.7Å; D329-E340 PolarHBondContact N-OE1 2.92Å; D329-E340 PolarHBondContact N-OE2 2.82Å; E330-E340 WeakPolarHBondContact CA-OE2 3.46Å; E330-E340 PolarHBondContact N-OE2 3.08Å; G337-E340 PolarHBondContact O-N 3Å; S338-E340 VanDerWaalsContact C-N 3.26Å; S338-E340 PolarHBondContact O-N 3.12Å
341	K	90.4	Very high	85	Confident	133 Å²	133	52.7 Å²	52.7	58%	0.578	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-27.4	-172.1	-79.7	172.8	-161.3	161	0	115.7	D336 G337	D336-K341 WeakPolarHBondContact O-CE 3.43Å; D336-K341 PolarHBondContact O-NZ 3.04Å; G337-K341 WeakPolarHBondContact O-CG 3.36Å
342	S	84.3	Confident	84.1	Confident	76 Å²	76	52.2 Å²	52.2	53%	0.531	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	31.3	-167.4	-63.9	0	0	0	0	113.9
343	C	86.3	Confident	83.3	Confident	18 Å²	18	48 Å²	48	12%	0.122	26%	0.264	C	S	.	.			trans	-76.8	-29.5	-175.1	-56.7	0	0	0	0	113.5	P246 C328 D345 F346	P246-C343 HydrophobicContact CB-CB 4.24Å; P246-C343 WeakPolarHBondContact CB-O 3.28Å; C328-C343 WeakPolarHBondContact CA-SG 3.19Å; C328-C343 HydrophobicContact CB-CB 3.77Å; C328-C343 WeakPolarHBondContact CB-SG 3.18Å; C328-C343 WeakPolarHBondContact SG-CA 3.26Å; C328-C343 WeakPolarHBondContact SG-CB 3.1Å; C328-C343 CovalentContact SG-SG 2.03Å; C328-C343 PolarHBondContact SG-SG 3.48Å; C343-D345 VanDerWaalsContact C-N 3.29Å; C343-D345 PolarHBondContact O-N 2.82Å; C343-F346 PolarHBondContact O-N 2.71Å
344	D	80.8	Confident	82.4	Confident	106 Å²	106	49.1 Å²	49.1	57%	0.567	27%	0.271	S	S	*	.	H	α-helix	trans	-70.1	-19.6	-178.3	-71	-30.3	0	0	0	114.3	F346 Q347	D344-F346 PolarHBondContact O-N 2.7Å; D344-Q347 WeakPolarHBondContact O-CB 3.38Å; D344-Q347 PolarHBondContact O-N 3.4Å; D344-Q347 PolarHBondContact OD1-NE2 3.43Å
345	D	78.3	Confident	80.9	Confident	69 Å²	69	55.3 Å²	55.3	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-63.6	-28.8	177.1	-168.7	60.1	0	0	0	111.5	C343 K349	C343-D345 VanDerWaalsContact C-N 3.29Å; C343-D345 PolarHBondContact O-N 2.82Å; D345-K349 WeakPolarHBondContact O-CG 3.41Å; D345-K349 WeakPolarHBondContact OD1-CE 3.07Å; D345-K349 IonicContact OD1-NZ 2.69Å; D345-K349 PolarHBondContact OD1-NZ 3.43Å; D345-K349 WeakPolarHBondContact OD2-CE 3.07Å; D345-K349 IonicContact OD2-NZ 2.64Å; D345-K349 PolarHBondContact OD2-NZ 2.81Å
346	F	75.7	Confident	79.3	Confident	18 Å²	18	52.2 Å²	52.2	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-73.1	-37.3	176	-66	-89.9	0	0	0	111.9	F55 L56 P246 L272 C343 D344 F350	F55-F346 HydrophobicContact CD1-CD1 4.29Å; F55-F346 AromaticContact CE1-CD1 3.9Å; F55-F346 HydrophobicContact CE1-CD1 3.9Å; L56-F346 WeakPolarHBondContact O-CE1 3.37Å; P246-F346 HydrophobicContact CB-CB 4.3Å; P246-F346 HydrophobicContact CG-CB 3.83Å; P246-F346 HydrophobicContact CG-CD2 4.34Å; P246-F346 HydrophobicContact CG-CG 4.18Å; L272-F346 HydrophobicContact CD1-CD1 4.45Å; L272-F346 HydrophobicContact CD1-CD2 4.09Å; L272-F346 HydrophobicContact CD1-CE1 4.3Å; L272-F346 HydrophobicContact CD1-CE2 3.94Å; L272-F346 HydrophobicContact CD1-CG 4.36Å; L272-F346 HydrophobicContact CD1-CZ 4.05Å; L272-F346 HydrophobicContact CD2-CE1 4.16Å; L272-F346 HydrophobicContact CD2-CZ 4.22Å; L272-F346 HydrophobicContact CG-CD1 4.44Å; L272-F346 HydrophobicContact CG-CE1 4.27Å; L272-F346 HydrophobicContact CG-CZ 4.43Å; C343-F346 PolarHBondContact O-N 2.71Å; D344-F346 PolarHBondContact O-N 2.7Å; F346-F350 VanDerWaalsContact O-CB 3.25Å; F346-F350 WeakPolarHBondContact O-CB 3.33Å; F346-F350 PolarHBondContact O-N 2.04Å
347	Q	72.7	Confident	77.6	Confident	50 Å²	50	59.5 Å²	59.5	23%	0.234	31%	0.308	C	S	.	.	H	α-helix	trans	-60.2	-50.7	-177.3	-80.2	-176.5	33.7	0	0	113.2	P246 D344 R351	P246-Q347 HydrophobicContact CB-CG 4.48Å; P246-Q347 WeakPolarHBondContact O-CG 3.49Å; D344-Q347 WeakPolarHBondContact O-CB 3.38Å; D344-Q347 PolarHBondContact O-N 3.4Å; D344-Q347 PolarHBondContact OD1-NE2 3.43Å; Q347-R351 VanDerWaalsContact O-CG 3.31Å; Q347-R351 WeakPolarHBondContact O-CG 3.45Å; Q347-R351 PolarHBondContact O-N 3.14Å; Q347-R351 VanDerWaalsContact OE1-NH2 3.13Å
348	N	70.7	Confident	75.8	Confident	97 Å²	97	60.3 Å²	60.3	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-74.1	-32.8	-171.6	-66.8	-42.1	0	0	0	111.9	S352	N348-S352 PolarHBondContact O-OG 3.33Å; N348-S352 VanDerWaalsContact O-OG 3.07Å
349	K	76.1	Confident	73.6	Confident	36 Å²	36	64 Å²	64	16%	0.157	34%	0.339	C	S	.	.	H	α-helix	trans	-81.6	-38.8	-176.9	-62.3	-176.1	-174.5	164.8	0	112.3	S58 Y94 D345 S352	S58-K349 VanDerWaalsContact CB-CD 3.46Å; S58-K349 PolarHBondContact O-NZ 3.31Å; S58-K349 WeakPolarHBondContact OG-CD 3.16Å; Y94-K349 HydrophobicContact CE1-CB 4.47Å; D345-K349 WeakPolarHBondContact O-CG 3.41Å; D345-K349 WeakPolarHBondContact OD1-CE 3.07Å; D345-K349 IonicContact OD1-NZ 2.69Å; D345-K349 PolarHBondContact OD1-NZ 3.43Å; D345-K349 WeakPolarHBondContact OD2-CE 3.07Å; D345-K349 IonicContact OD2-NZ 2.64Å; D345-K349 PolarHBondContact OD2-NZ 2.81Å; K349-S352 PolarHBondContact O-N 2.03Å
350	F	75.7	Confident	71.8	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-70	-36.5	177	-168.1	-108	0	0	0	112.7	V45 V49 F55 C247 F251 G269 F346 S352 L353 L354	V45-F350 HydrophobicContact CG1-CD2 4.44Å; V45-F350 HydrophobicContact CG1-CE2 3.52Å; V45-F350 HydrophobicContact CG1-CZ 3.79Å; V49-F350 HydrophobicContact CG2-CZ 4.34Å; F55-F350 HydrophobicContact CB-CD2 3.92Å; F55-F350 HydrophobicContact CB-CE2 3.8Å; F55-F350 AromaticContact CD1-CD2 3.85Å; F55-F350 HydrophobicContact CD1-CD2 3.85Å; F55-F350 HydrophobicContact CD2-CD2 4.43Å; F55-F350 HydrophobicContact CE1-CD2 4.5Å; F55-F350 AromaticContact CG-CD2 3.79Å; F55-F350 HydrophobicContact CG-CD2 3.79Å; F55-F350 HydrophobicContact CG-CE2 4.19Å; C247-F350 HydrophobicContact CB-CB 4.35Å; C247-F350 HydrophobicContact CB-CD1 3.56Å; C247-F350 HydrophobicContact CB-CE1 3.93Å; C247-F350 HydrophobicContact CB-CG 4.02Å; C247-F350 VanDerWaalsContact SG-CB 3.59Å; C247-F350 VanDerWaalsContact SG-CG 3.57Å; F251-F350 HydrophobicContact CE2-CE1 4.17Å; F251-F350 HydrophobicContact CE2-CZ 4.07Å; F251-F350 HydrophobicContact CZ-CZ 4.36Å; G269-F350 WeakPolarHBondContact O-CE1 3.41Å; F346-F350 VanDerWaalsContact O-CB 3.25Å; F346-F350 WeakPolarHBondContact O-CB 3.33Å; F346-F350 PolarHBondContact O-N 2.04Å; F350-S352 VanDerWaalsContact C-N 3.28Å; F350-S352 PolarHBondContact O-N 3.01Å; F350-L353 HydrophobicContact CD2-CD1 4.38Å; F350-L353 WeakPolarHBondContact O-CB 3.03Å; F350-L353 PolarHBondContact O-N 3.29Å; F350-L354 HydrophobicContact CD1-CD1 3.65Å; F350-L354 HydrophobicContact CD1-CG 4.05Å; F350-L354 HydrophobicContact CE1-CD1 3.44Å; F350-L354 VanDerWaalsContact CE1-CD1 3.44Å; F350-L354 HydrophobicContact CE1-CD2 4.09Å; F350-L354 HydrophobicContact CE1-CG 3.83Å; F350-L354 HydrophobicContact CZ-CD1 4.36Å; F350-L354 HydrophobicContact CZ-CD2 4.21Å; F350-L354 HydrophobicContact CZ-CG 4.33Å; F350-L354 PolarHBondContact O-N 3.31Å; F350-L354 VanDerWaalsContact O-N 3.14Å
351	R	71.8	Confident	70.4	Confident	73 Å²	73	73.1 Å²	73.1	28%	0.275	38%	0.384	S	S	.	.	H	α-helix	trans	-58.8	-39.8	173.5	-76.6	-177.7	-141.5	167.6	8.1	112.9	R248 Q347 L353 L354 D355	R248-R351 VanDerWaalsContact CD-NE 3.27Å; R248-R351 VanDerWaalsContact NH1-NH1 3.19Å; Q347-R351 VanDerWaalsContact O-CG 3.31Å; Q347-R351 WeakPolarHBondContact O-CG 3.45Å; Q347-R351 PolarHBondContact O-N 3.14Å; Q347-R351 VanDerWaalsContact OE1-NH2 3.13Å; R351-L353 PolarHBondContact O-N 2.86Å; R351-L353 VanDerWaalsContact O-N 3.16Å; R351-L354 PolarHBondContact O-N 3.37Å; R351-L354 VanDerWaalsContact O-N 3.11Å; R351-D355 WeakPolarHBondContact O-CB 3.14Å; R351-D355 PolarHBondContact O-N 3.1Å
352	S	70.8	Confident	69.7	Low	69 Å²	69	70.9 Å²	70.9	48%	0.483	37%	0.372	S	S	.	.	H	α-helix	trans	-60.8	-24.7	177.4	-57.4	0	0	0	0	112.7	N348 K349 F350 L356	N348-S352 PolarHBondContact O-OG 3.33Å; N348-S352 VanDerWaalsContact O-OG 3.07Å; K349-S352 PolarHBondContact O-N 2.03Å; F350-S352 VanDerWaalsContact C-N 3.28Å; F350-S352 PolarHBondContact O-N 3.01Å; S352-L356 WeakPolarHBondContact O-CG 3.38Å
353	L	75.1	Confident	69.3	Low	4 Å²	4	67.8 Å²	67.8	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-83.8	-36.6	175	-68.3	167.6	0	0	0	112.8	M42 V45 F55 L81 Y94 F96 F350 R351	M42-L353 HydrophobicContact CE-CD2 3.57Å; V45-L353 HydrophobicContact CG2-CB 3.99Å; V45-L353 HydrophobicContact CG2-CD1 4.38Å; V45-L353 HydrophobicContact CG2-CD2 4.41Å; F55-L353 HydrophobicContact CD2-CD1 4.42Å; F55-L353 HydrophobicContact CE2-CD1 4.3Å; L81-L353 HydrophobicContact CD2-CD2 4.29Å; Y94-L353 HydrophobicContact CD1-CD1 3.6Å; Y94-L353 HydrophobicContact CD1-CD2 4.22Å; Y94-L353 HydrophobicContact CD1-CG 4.11Å; Y94-L353 HydrophobicContact CD2-CD2 3.86Å; Y94-L353 HydrophobicContact CE1-CD1 3.85Å; Y94-L353 HydrophobicContact CE1-CD2 4.1Å; Y94-L353 HydrophobicContact CE1-CG 3.9Å; Y94-L353 HydrophobicContact CE2-CD2 3.72Å; Y94-L353 HydrophobicContact CE2-CG 4.42Å; Y94-L353 HydrophobicContact CG-CD1 4.01Å; Y94-L353 HydrophobicContact CG-CD2 4.1Å; Y94-L353 HydrophobicContact CG-CG 4.46Å; F96-L353 HydrophobicContact CZ-CD1 3.86Å; F350-L353 HydrophobicContact CD2-CD1 4.38Å; F350-L353 WeakPolarHBondContact O-CB 3.03Å; F350-L353 PolarHBondContact O-N 3.29Å; R351-L353 PolarHBondContact O-N 2.86Å; R351-L353 VanDerWaalsContact O-N 3.16Å
354	L	73.4	Confident	69.3	Low	53 Å²	53	68.8 Å²	68.8	28%	0.277	35%	0.352	S	S	.	.	H	α-helix	trans	-77	-35.2	179.9	-67.6	178.2	0	0	0	113.5	V45 F251 F350 R351 L356	V45-L354 HydrophobicContact CG1-CD2 4.13Å; F251-L354 HydrophobicContact CZ-CD2 4.25Å; F350-L354 HydrophobicContact CD1-CD1 3.65Å; F350-L354 HydrophobicContact CD1-CG 4.05Å; F350-L354 HydrophobicContact CE1-CD1 3.44Å; F350-L354 VanDerWaalsContact CE1-CD1 3.44Å; F350-L354 HydrophobicContact CE1-CD2 4.09Å; F350-L354 HydrophobicContact CE1-CG 3.83Å; F350-L354 HydrophobicContact CZ-CD1 4.36Å; F350-L354 HydrophobicContact CZ-CD2 4.21Å; F350-L354 HydrophobicContact CZ-CG 4.33Å; F350-L354 PolarHBondContact O-N 3.31Å; F350-L354 VanDerWaalsContact O-N 3.14Å; R351-L354 PolarHBondContact O-N 3.37Å; R351-L354 VanDerWaalsContact O-N 3.11Å; L354-L356 PolarHBondContact O-N 3.44Å; L354-L356 VanDerWaalsContact O-N 3.17Å
355	D	60.5	Low	69.7	Low	134 Å²	134	63.7 Å²	63.7	72%	0.717	33%	0.325	S	S	*	.	S	Bend	trans	-74.2	-1	-178.5	-93.4	-21.7	0	0	0	113.8	R351 K357	R351-D355 WeakPolarHBondContact O-CB 3.14Å; R351-D355 PolarHBondContact O-N 3.1Å; D355-K357 VanDerWaalsContact C-N 3.26Å; D355-K357 PolarHBondContact O-N 2.99Å
356	L	60	Low	70.1	Confident	41 Å²	41	62 Å²	62	22%	0.215	32%	0.317	C	S	.	.			trans	-70.8	93.6	168.9	-70.1	169	0	0	0	106.7	M42 K111 S352 L354 L358	M42-L356 HydrophobicContact CE-CD1 3.2Å; M42-L356 HydrophobicContact SD-CD1 3.38Å; M42-L356 WeakPolarHBondContact SD-CD1 3.04Å; K111-L356 VanDerWaalsContact NZ-CB 3.28Å; S352-L356 WeakPolarHBondContact O-CG 3.38Å; L354-L356 PolarHBondContact O-N 3.44Å; L354-L356 VanDerWaalsContact O-N 3.17Å; L356-L358 PolarHBondContact O-N 3.37Å
357	K	55.6	Low	70.6	Confident	198 Å²	198	62 Å²	62	86%	0.861	32%	0.318	S	S	*	.			trans	-52.9	80.4	159	-68.7	-177.9	179.3	-178.9	0	107.5	D355 A359	D355-K357 VanDerWaalsContact C-N 3.26Å; D355-K357 PolarHBondContact O-N 2.99Å; K357-A359 VanDerWaalsContact C-N 3.26Å; K357-A359 PolarHBondContact O-N 3.4Å
358	L	55.8	Low	71.2	Confident	34 Å²	34	64.3 Å²	64.3	18%	0.178	33%	0.329	C	S	.	.			trans	-62	100.2	167.5	-75.7	160.9	0	0	0	102.8	N44 V109 K111 L356 E360	N44-L358 HydrophobicContact CB-CD1 4.35Å; V109-L358 HydrophobicContact CB-CD2 4.4Å; V109-L358 HydrophobicContact CG2-CD1 3.98Å; V109-L358 HydrophobicContact CG2-CD2 3.44Å; V109-L358 VanDerWaalsContact CG2-CD2 3.44Å; V109-L358 HydrophobicContact CG2-CG 4.29Å; K111-L358 HydrophobicContact CD-CD2 3.92Å; L356-L358 PolarHBondContact O-N 3.37Å; L358-E360 PolarHBondContact O-N 3.44Å
359	A	45.9	Very low	72.1	Confident	85 Å²	85	60.9 Å²	60.9	70%	0.702	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	129.4	-170.1	0	0	0	0	0	109.5	K357 N361	K357-A359 VanDerWaalsContact C-N 3.26Å; K357-A359 PolarHBondContact O-N 3.4Å; A359-N361 VanDerWaalsContact C-N 3.3Å; A359-N361 PolarHBondContact O-N 2.89Å; A359-N361 VanDerWaalsContact O-N 3.07Å
360	E	55.2	Low	72.7	Confident	171 Å²	171	60.3 Å²	60.3	80%	0.799	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.3	57.7	164.4	-64.3	174.1	165.6	0	0	112.3	L358 R362	L358-E360 PolarHBondContact O-N 3.44Å; E360-R362 WeakPolarHBondContact O-CG 3.42Å; E360-R362 PolarHBondContact O-N 3.49Å
361	N	63.8	Low	73.4	Confident	71 Å²	71	62.1 Å²	62.1	38%	0.38	32%	0.322	S	S	.	.			trans	-54.8	93.8	-162.7	-168.8	28.9	0	0	0	113.1	N44 A359 A363 Y364	N44-N361 PolarHBondContact ND2-ND2 2.96Å; A359-N361 VanDerWaalsContact C-N 3.3Å; A359-N361 PolarHBondContact O-N 2.89Å; A359-N361 VanDerWaalsContact O-N 3.07Å; N361-A363 WeakPolarHBondContact OD1-CB 3.36Å; N361-Y364 WeakPolarHBondContact O-CE1 3.5Å
362	R	74.9	Confident	74.2	Confident	86 Å²	86	58.7 Å²	58.7	33%	0.325	31%	0.309	S	S	.	.			trans	-107	26.2	173.7	-69.1	167.2	-175.2	-158.6	-13.5	111.4	E360 Y364 C365 E414 Q416 V418	E360-R362 WeakPolarHBondContact O-CG 3.42Å; E360-R362 PolarHBondContact O-N 3.49Å; R362-Y364 PolarHBondContact O-N 3.04Å; R362-C365 HydrophobicContact CB-CB 4.48Å; R362-C365 VanDerWaalsContact O-CB 3.23Å; R362-C365 WeakPolarHBondContact O-CB 3.42Å; R362-C365 PolarHBondContact O-N 3.08Å; R362-E414 WeakPolarHBondContact CD-O 3.3Å; R362-E414 WeakPolarHBondContact CG-O 3.28Å; R362-E414 PolarHBondContact NE-O 3.28Å; R362-E414 PolarHBondContact NH2-O 2.83Å; R362-Q416 PolarHBondContact NH1-O 3.47Å; R362-V418 HydrophobicContact CB-CG2 3.82Å
363	A	77.3	Confident	75	Confident	11 Å²	11	58.8 Å²	58.8	9%	0.091	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-52.3	-43.8	177.6	0	0	0	0	0	111.6	V109 N361 C365 T366	V109-A363 HydrophobicContact CG1-CB 3.21Å; N361-A363 WeakPolarHBondContact OD1-CB 3.36Å; A363-C365 PolarHBondContact O-N 3Å; A363-C365 VanDerWaalsContact O-N 3.15Å; A363-T366 PolarHBondContact O-N 3.36Å; A363-T366 PolarHBondContact O-OG1 3.3Å
364	Y	84.6	Confident	75.8	Confident	38 Å²	38	60.8 Å²	60.8	15%	0.149	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-55.5	-32.3	178.3	62.3	-94	0	0	0	113	N361 R362 T366 D367 D402 N403 F405 E414	N361-Y364 WeakPolarHBondContact O-CE1 3.5Å; R362-Y364 PolarHBondContact O-N 3.04Å; Y364-T366 PolarHBondContact O-N 2.9Å; Y364-D367 WeakPolarHBondContact CA-OD2 3.42Å; Y364-D367 WeakPolarHBondContact O-CB 3.5Å; Y364-D367 PolarHBondContact O-N 3.34Å; Y364-D402 VanDerWaalsContact CB-CB 3.48Å; Y364-D402 HydrophobicContact CD1-CB 4.28Å; Y364-D402 HydrophobicContact CD2-CB 3.93Å; Y364-D402 VanDerWaalsContact CD2-O 3.25Å; Y364-D402 WeakPolarHBondContact CD2-O 3.32Å; Y364-D402 HydrophobicContact CG-CB 3.68Å; Y364-N403 WeakPolarHBondContact O-CB 3.47Å; Y364-F405 HydrophobicContact CD2-CZ 4.24Å; Y364-F405 AromaticContact CE2-CE1 3.92Å; Y364-F405 HydrophobicContact CE2-CE1 3.92Å; Y364-F405 AromaticContact CE2-CZ 3.71Å; Y364-F405 HydrophobicContact CE2-CZ 3.71Å; Y364-E414 PolarHBondContact OH-OE2 2.81Å
365	C	89.7	Confident	76.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-61.5	-14.2	176.3	-61.6	0	0	0	0	113.9	R362 A363 Y383 P385 N403 C415 V418	R362-C365 HydrophobicContact CB-CB 4.48Å; R362-C365 VanDerWaalsContact O-CB 3.23Å; R362-C365 WeakPolarHBondContact O-CB 3.42Å; R362-C365 PolarHBondContact O-N 3.08Å; A363-C365 PolarHBondContact O-N 3Å; A363-C365 VanDerWaalsContact O-N 3.15Å; C365-Y383 HydrophobicContact CB-CD1 4.08Å; C365-Y383 WeakPolarHBondContact O-CD1 3.47Å; C365-P385 WeakPolarHBondContact O-CG 3.26Å; C365-N403 PolarHBondContact O-ND2 3.12Å; C365-C415 HydrophobicContact CB-CB 3.64Å; C365-C415 WeakPolarHBondContact CB-SG 3.2Å; C365-C415 WeakPolarHBondContact SG-CA 3.38Å; C365-C415 WeakPolarHBondContact SG-CB 3.33Å; C365-C415 CovalentContact SG-SG 2.03Å; C365-C415 PolarHBondContact SG-SG 2.98Å; C365-V418 HydrophobicContact CB-CB 4.26Å; C365-V418 HydrophobicContact CB-CG1 4.06Å; C365-V418 HydrophobicContact CB-CG2 3.94Å
366	T	86.9	Confident	78	Confident	32 Å²	32	61 Å²	61	20%	0.196	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-96	-6.9	176.4	65.4	0	0	0	0	113.8	A363 Y364 P385 V418 D422 I423	A363-T366 PolarHBondContact O-N 3.36Å; A363-T366 PolarHBondContact O-OG1 3.3Å; Y364-T366 PolarHBondContact O-N 2.9Å; T366-P385 HydrophobicContact CG2-CG 4.1Å; T366-V418 HydrophobicContact CG2-CG1 3.59Å; T366-D422 HydrophobicContact CG2-CB 4.28Å; T366-I423 HydrophobicContact CG2-CG1 4.46Å
367	D	85.8	Confident	79.5	Confident	20 Å²	20	63 Å²	63	11%	0.107	33%	0.334	C	S	.	.	S	Bend	trans	-75.6	146.7	178.6	-69.5	-42.6	0	0	0	111.6	R107 Y364 N403	R107-D367 IonicContact CZ-OD1 2.58Å; R107-D367 IonicContact NE-OD1 3.93Å; R107-D367 IonicContact NH1-OD1 2.64Å; R107-D367 PolarHBondContact NH1-OD1 2.68Å; R107-D367 IonicContact NH1-OD2 2.75Å; Y364-D367 WeakPolarHBondContact CA-OD2 3.42Å; Y364-D367 WeakPolarHBondContact O-CB 3.5Å; Y364-D367 PolarHBondContact O-N 3.34Å; D367-N403 HydrophobicContact CB-CB 4.43Å; D367-N403 PolarHBondContact O-ND2 2.94Å
368	E	86.4	Confident	81.3	Confident	98 Å²	98	55.4 Å²	55.4	46%	0.458	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-66.6	152.4	171	-66.1	-165.7	156.9	0	0	111.8	H129 D370 N401	H129-E368 IonicContact CD2-OE1 3.39Å; H129-E368 IonicContact CE1-OE1 3.6Å; H129-E368 PolarHBondContact CE1-OE1 2.76Å; H129-E368 IonicContact CE1-OE2 2.8Å; H129-E368 PolarHBondContact CE1-OE2 3.36Å; H129-E368 IonicContact CG-OE1 3.63Å; H129-E368 VanDerWaalsContact CG-OE1 3.28Å; H129-E368 IonicContact ND1-OE1 2.7Å; H129-E368 PolarHBondContact ND1-OE1 3.42Å; H129-E368 IonicContact ND1-OE2 2.64Å; H129-E368 PolarHBondContact ND1-OE2 3.07Å; H129-E368 VanDerWaalsContact ND1-OE2 3.12Å; H129-E368 IonicContact NE2-OE1 3.48Å; H129-E368 IonicContact NE2-OE2 3.74Å; E368-D370 PolarHBondContact O-N 2.97Å; E368-N401 PolarHBondContact O-ND2 3.31Å
369	P	89.2	Confident	83.2	Confident	25 Å²	25	57.5 Å²	57.5	16%	0.162	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-62.8	121.8	177.3	25.5	-33.9	0	0	0	111.7	R165 Y382 F393	R165-P369 PolarHBondContact NH1-O 2.87Å; P369-Y382 HydrophobicContact CB-CD1 3.79Å; P369-Y382 HydrophobicContact CB-CD2 4.04Å; P369-Y382 HydrophobicContact CB-CE1 4.15Å; P369-Y382 HydrophobicContact CB-CE2 4.41Å; P369-Y382 HydrophobicContact CB-CG 3.72Å; P369-Y382 HydrophobicContact CG-CD1 3.99Å; P369-Y382 HydrophobicContact CG-CD2 3.92Å; P369-Y382 HydrophobicContact CG-CE1 3.85Å; P369-Y382 HydrophobicContact CG-CE2 3.8Å; P369-Y382 HydrophobicContact CG-CG 4.02Å; P369-F393 HydrophobicContact CB-CB 4.2Å; P369-F393 HydrophobicContact CB-CD1 4.15Å; P369-F393 HydrophobicContact CB-CD2 3.76Å; P369-F393 HydrophobicContact CB-CE1 4.42Å; P369-F393 HydrophobicContact CB-CE2 4.08Å; P369-F393 HydrophobicContact CB-CG 3.78Å; P369-F393 HydrophobicContact CB-CZ 4.38Å
370	D	88.6	Confident	85.7	Confident	23 Å²	23	54.8 Å²	54.8	12%	0.123	30%	0.295	C	S	.	.			trans	-104.6	110.3	177.7	-175.1	7.9	0	0	0	111.3	R165 E368 G372 G400	R165-D370 IonicContact NH2-OD1 3.44Å; E368-D370 PolarHBondContact O-N 2.97Å; D370-G372 PolarHBondContact O-N 3.25Å; D370-G372 PolarHBondContact OD1-N 2.89Å; D370-G400 WeakPolarHBondContact OD2-CA 3.21Å
371	T	89.6	Confident	87.7	Confident	38 Å²	38	49.1 Å²	49.1	23%	0.233	27%	0.267	C	S	.	.			trans	-64.3	-23.7	174.8	-61.8	0	0	0	0	112.2	F162 N394 Y395 G396	F162-T371 HydrophobicContact CE1-CG2 4.33Å; T371-N394 WeakPolarHBondContact CG2-O 3.13Å; T371-N394 PolarHBondContact OG1-O 2.75Å; T371-Y395 WeakPolarHBondContact O-CD2 3.43Å; T371-G396 VanDerWaalsContact O-CA 3.23Å; T371-G396 WeakPolarHBondContact O-CA 3.44Å; T371-G396 PolarHBondContact O-N 3.37Å
372	G	89	Confident	89.2	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.01	26%	0.258	C	S	.	.			trans	76.6	-171.9	-173	0	0	0	0	0	113.1	Q163 D370 C398	Q163-G372 PolarHBondContact NE2-O 2.81Å; Q163-G372 VanDerWaalsContact NE2-O 3.07Å; D370-G372 PolarHBondContact O-N 3.25Å; D370-G372 PolarHBondContact OD1-N 2.89Å; G372-C398 WeakPolarHBondContact CA-O 3.24Å
373	T	87.6	Confident	90.1	Very high	71 Å²	71	44.4 Å²	44.4	44%	0.436	24%	0.244	S	C	.	.	S	Bend	trans	-94.9	-12.3	-176.1	59.2	0	0	0	0	113.6	D399	T373-D399 PolarHBondContact OG1-OD2 2.93Å; T373-D399 VanDerWaalsContact OG1-OD2 3.13Å
374	C	91.1	Very high	90.8	Very high	47 Å²	47	45.5 Å²	45.5	32%	0.318	25%	0.248	S	C	.	.			trans	-81.9	156.6	-179.5	-68.5	0	0	0	0	111.7	F162 G396 C398	F162-C374 VanDerWaalsContact CE1-O 3.29Å; F162-C374 WeakPolarHBondContact CE1-O 3.36Å; C374-G396 CarbonylContact C-O 3.59Å; C374-G396 WeakPolarHBondContact CB-O 3.44Å; C374-G396 CarbonylContact O-C 3.54Å; C374-G396 WeakPolarHBondContact O-CA 3.39Å; C374-C398 HydrophobicContact CB-CB 3.87Å; C374-C398 WeakPolarHBondContact CB-SG 3.48Å; C374-C398 PolarHBondContact N-SG 2.95Å; C374-C398 WeakPolarHBondContact SG-CB 3.26Å; C374-C398 CovalentContact SG-SG 2.02Å; C374-C398 PolarHBondContact SG-SG 2.76Å
375	R	89.2	Confident	91.1	Very high	81 Å²	81	44 Å²	44	31%	0.306	24%	0.243	S	C	.	.			trans	-106.4	16	-173.6	-58.7	-175.9	-178.9	-105	1	113.9	F162 F192 D194 E195 G396	F162-R375 HydrophobicContact CD2-CG 4.24Å; F162-R375 HydrophobicContact CE1-CG 4.5Å; F162-R375 HydrophobicContact CE2-CG 3.86Å; F162-R375 HydrophobicContact CZ-CG 3.99Å; F192-R375 VanDerWaalsContact CB-NH2 3.34Å; F192-R375 VanDerWaalsContact CD1-CZ 3.46Å; F192-R375 VanDerWaalsContact CD1-NH1 3.29Å; F192-R375 VanDerWaalsContact CE1-CD 3.49Å; F192-R375 VanDerWaalsContact CZ-CD 3.48Å; D194-R375 IonicContact OD1-CZ 3.32Å; D194-R375 IonicContact OD1-NH1 3.28Å; D194-R375 PolarHBondContact OD1-NH1 3.4Å; D194-R375 IonicContact OD1-NH2 2.83Å; D194-R375 PolarHBondContact OD1-NH2 3.4Å; D194-R375 IonicContact OD2-CZ 3.12Å; D194-R375 IonicContact OD2-NH1 3.91Å; D194-R375 IonicContact OD2-NH2 3.96Å; D194-R375 PolarHBondContact OD2-NH2 3.17Å; E195-R375 VanDerWaalsContact CD-NH2 3.26Å; E195-R375 IonicContact OE1-CZ 3.01Å; E195-R375 IonicContact OE1-NE 2.94Å; E195-R375 PolarHBondContact OE1-NE 2.61Å; E195-R375 IonicContact OE1-NH2 3.79Å; E195-R375 PolarHBondContact OE1-NH2 2.78Å; R375-G396 PolarHBondContact N-O 3.36Å
376	D	91.4	Very high	91	Very high	109 Å²	109	50.4 Å²	50.4	58%	0.583	27%	0.268	S	S	*	.			trans	-67.6	165.3	169	-161.8	8.6	0	0	0	109.7	G396	D376-G396 WeakPolarHBondContact CA-O 3.41Å; D376-G396 WeakPolarHBondContact CB-O 3.35Å; D376-G396 PolarHBondContact N-O 3.46Å; D376-G396 VanDerWaalsContact O-CA 3.29Å; D376-G396 WeakPolarHBondContact O-CA 3.32Å
377	S	91.8	Very high	91.1	Very high	85 Å²	85	53 Å²	53	59%	0.594	28%	0.283	S	S	*	.			trans	-130.7	93	179.2	-170.9	0	0	0	0	109.8
378	S	93.9	Very high	91.5	Very high	37 Å²	37	57 Å²	57	26%	0.259	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.3	175.7	-73.1	0	0	0	0	110.2	K380 Y395	S378-K380 PolarHBondContact O-N 2.99Å; S378-Y395 PolarHBondContact N-O 3.24Å; S378-Y395 PolarHBondContact O-N 2.8Å
379	S	95.7	Very high	91.9	Very high	79 Å²	79	54.3 Å²	54.3	55%	0.552	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	122	173.7	-56.3	0	0	0	0	110.4	F393	S379-F393 WeakPolarHBondContact CA-O 3.31Å
380	K	97.1	Very high	92.2	Very high	28 Å²	28	53.5 Å²	53.5	12%	0.122	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	161.6	177	-60.6	-66.5	174.7	-179.5	0	109.9	S378 L392 F393 Y395 R404 E406	S378-K380 PolarHBondContact O-N 2.99Å; K380-L392 CarbonylContact O-C 3.59Å; K380-L392 VanDerWaalsContact O-CA 3.31Å; K380-L392 WeakPolarHBondContact O-CA 3.36Å; K380-L392 WeakPolarHBondContact O-CD2 3.2Å; K380-F393 HydrophobicContact CB-CD1 4.09Å; K380-F393 HydrophobicContact CB-CE1 3.59Å; K380-F393 HydrophobicContact CB-CZ 4.09Å; K380-F393 PolarHBondContact N-O 2.88Å; K380-F393 VanDerWaalsContact O-CD1 3.32Å; K380-F393 WeakPolarHBondContact O-CD1 3.28Å; K380-F393 PolarHBondContact O-N 3.21Å; K380-Y395 HydrophobicContact CG-CD1 4.31Å; K380-Y395 HydrophobicContact CG-CG 4.27Å; K380-R404 HydrophobicContact CB-CG 3.78Å; K380-R404 HydrophobicContact CD-CG 4.37Å; K380-R404 HydrophobicContact CG-CG 3.88Å; K380-E406 IonicContact NZ-OE1 3.9Å; K380-E406 PolarHBondContact NZ-OE1 3.46Å; K380-E406 IonicContact NZ-OE2 3.34Å; K380-E406 PolarHBondContact NZ-OE2 3.39Å
381	W	97.4	Very high	92.6	Very high	52 Å²	52	54.7 Å²	54.7	20%	0.197	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	140.9	175.6	-65.5	85.3	0	0	0	110.4	C390 T391 L392 R404 F405 S407 E408 C411	W381-C390 HydrophobicContact CE3-CB 3.86Å; W381-C390 HydrophobicContact CZ3-CB 4.46Å; W381-C390 WeakPolarHBondContact CZ3-O 3.46Å; W381-T391 WeakPolarHBondContact CA-O 3.42Å; W381-L392 HydrophobicContact CD2-CD2 3.69Å; W381-L392 HydrophobicContact CD2-CG 4.11Å; W381-L392 VanDerWaalsContact CE2-CD2 3.41Å; W381-L392 HydrophobicContact CE3-CD2 4.29Å; W381-L392 HydrophobicContact CE3-CG 4.22Å; W381-L392 HydrophobicContact CG-CD2 3.98Å; W381-L392 HydrophobicContact CH2-CD1 4.44Å; W381-L392 HydrophobicContact CH2-CD2 4.46Å; W381-L392 HydrophobicContact CH2-CG 4.07Å; W381-L392 HydrophobicContact CZ2-CD1 4.22Å; W381-L392 HydrophobicContact CZ2-CD2 3.84Å; W381-L392 HydrophobicContact CZ2-CG 3.9Å; W381-L392 HydrophobicContact CZ3-CG 4.22Å; W381-R404 CarbonylContact O-C 3.46Å; W381-R404 WeakPolarHBondContact O-CA 3.4Å; W381-F405 HydrophobicContact CB-CB 4.27Å; W381-F405 PolarHBondContact N-O 3.15Å; W381-F405 WeakPolarHBondContact O-CD2 3.28Å; W381-F405 PolarHBondContact O-N 2.79Å; W381-S407 VanDerWaalsContact CD1-C 3.47Å; W381-E408 HydrophobicContact CD2-CB 3.82Å; W381-E408 HydrophobicContact CD2-CG 4.37Å; W381-E408 HydrophobicContact CE3-CB 3.83Å; W381-E408 HydrophobicContact CE3-CG 3.86Å; W381-E408 HydrophobicContact CH2-CB 3.74Å; W381-E408 HydrophobicContact CH2-CG 3.88Å; W381-E408 WeakPolarHBondContact CH2-OE2 3.21Å; W381-E408 HydrophobicContact CZ2-CB 3.76Å; W381-E408 HydrophobicContact CZ2-CG 4.41Å; W381-E408 HydrophobicContact CZ3-CB 3.78Å; W381-E408 HydrophobicContact CZ3-CG 3.58Å; W381-C411 HydrophobicContact CB-CB 4.23Å
382	Y	95.9	Very high	92.8	Very high	51 Å²	51	57.5 Å²	57.5	20%	0.2	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	153.9	166.9	79.4	-81.3	0	0	0	109.9	P369 D384 C390 T391 F393 N403	P369-Y382 HydrophobicContact CB-CD1 3.79Å; P369-Y382 HydrophobicContact CB-CD2 4.04Å; P369-Y382 HydrophobicContact CB-CE1 4.15Å; P369-Y382 HydrophobicContact CB-CE2 4.41Å; P369-Y382 HydrophobicContact CB-CG 3.72Å; P369-Y382 HydrophobicContact CG-CD1 3.99Å; P369-Y382 HydrophobicContact CG-CD2 3.92Å; P369-Y382 HydrophobicContact CG-CE1 3.85Å; P369-Y382 HydrophobicContact CG-CE2 3.8Å; P369-Y382 HydrophobicContact CG-CG 4.02Å; Y382-D384 HydrophobicContact CE2-CB 4.21Å; Y382-C390 CarbonylContact O-C 3.36Å; Y382-C390 VanDerWaalsContact O-CA 3.23Å; Y382-C390 WeakPolarHBondContact O-CA 3.38Å; Y382-T391 VanDerWaalsContact CD1-O 3.25Å; Y382-T391 WeakPolarHBondContact CD1-O 3.01Å; Y382-T391 WeakPolarHBondContact CE1-OG1 3.45Å; Y382-T391 PolarHBondContact N-O 3.44Å; Y382-T391 PolarHBondContact O-N 3.12Å; Y382-T391 PolarHBondContact OH-OG1 2.81Å; Y382-F393 HydrophobicContact CD1-CB 3.98Å; Y382-F393 AromaticContact CD1-CD1 3.72Å; Y382-F393 HydrophobicContact CD1-CD1 3.72Å; Y382-F393 HydrophobicContact CD1-CG 4.12Å; Y382-F393 HydrophobicContact CE1-CB 4.21Å; Y382-F393 HydrophobicContact CG-CD1 4.27Å; Y382-N403 WeakPolarHBondContact CA-O 3.38Å; Y382-N403 WeakPolarHBondContact CB-O 3.27Å
383	Y	95	Very high	93	Very high	7 Å²	7	58.5 Å²	58.5	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131	177.9	-173.6	-101.9	0	0	0	110.9	C365 P385 Q388 N403 C415 V418	C365-Y383 HydrophobicContact CB-CD1 4.08Å; C365-Y383 WeakPolarHBondContact O-CD1 3.47Å; Y383-P385 HydrophobicContact CD1-CG 4.16Å; Y383-P385 HydrophobicContact CE1-CB 4.18Å; Y383-P385 HydrophobicContact CE1-CG 4.23Å; Y383-Q388 WeakPolarHBondContact OH-CA 3.37Å; Y383-Q388 WeakPolarHBondContact OH-CB 3.29Å; Y383-N403 WeakPolarHBondContact CB-OD1 3.31Å; Y383-N403 PolarHBondContact N-OD1 3.2Å; Y383-N403 PolarHBondContact O-ND2 2.83Å; Y383-C415 HydrophobicContact CD1-CB 3.63Å; Y383-C415 HydrophobicContact CD2-CB 3.53Å; Y383-C415 HydrophobicContact CE1-CB 4.02Å; Y383-C415 HydrophobicContact CE2-CB 3.96Å; Y383-C415 HydrophobicContact CG-CB 3.35Å; Y383-V418 HydrophobicContact CE1-CB 3.83Å; Y383-V418 HydrophobicContact CE1-CG1 4.13Å; Y383-V418 PolarHBondContact OH-O 2.83Å
384	D	91.6	Very high	93.3	Very high	34 Å²	34	59.7 Å²	59.7	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.7	170.3	170.1	16.8	0	0	0	110.1	Y382 W386 T387 Q388 S389	Y382-D384 HydrophobicContact CE2-CB 4.21Å; D384-W386 VanDerWaalsContact C-N 3.26Å; D384-W386 PolarHBondContact O-N 3.12Å; D384-W386 WeakPolarHBondContact OD1-CB 3.35Å; D384-W386 PolarHBondContact OD1-N 3.29Å; D384-T387 WeakPolarHBondContact CB-OG1 3.46Å; D384-T387 VanDerWaalsContact CG-OG1 3.27Å; D384-T387 WeakPolarHBondContact OD2-CB 3.43Å; D384-T387 WeakPolarHBondContact OD2-CG2 3.44Å; D384-T387 PolarHBondContact OD2-N 2.77Å; D384-T387 PolarHBondContact OD2-OG1 2.91Å; D384-Q388 WeakPolarHBondContact O-CA 3.48Å; D384-Q388 PolarHBondContact O-N 2.92Å; D384-S389 PolarHBondContact N-O 3.37Å; D384-S389 PolarHBondContact O-N 3.38Å
385	P	90.3	Very high	93.4	Very high	7 Å²	7	58.7 Å²	58.7	5%	0.045	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.9	179.6	-15.6	27	0	0	0	115.3	C365 T366 Y383 Q388 V418 T419 E420 I423	C365-P385 WeakPolarHBondContact O-CG 3.26Å; T366-P385 HydrophobicContact CG2-CG 4.1Å; Y383-P385 HydrophobicContact CD1-CG 4.16Å; Y383-P385 HydrophobicContact CE1-CB 4.18Å; Y383-P385 HydrophobicContact CE1-CG 4.23Å; P385-Q388 WeakPolarHBondContact O-CG 3.24Å; P385-V418 HydrophobicContact CB-CG1 4.17Å; P385-V418 HydrophobicContact CG-CG1 4.17Å; P385-T419 CarbonylContact O-C 3.59Å; P385-E420 PolarHBondContact O-N 3.32Å; P385-I423 HydrophobicContact CB-CD1 3.96Å; P385-I423 HydrophobicContact CB-CG1 4.09Å; P385-I423 HydrophobicContact CG-CD1 4.1Å; P385-I423 HydrophobicContact CG-CG1 4.09Å
386	W	87.7	Confident	93.5	Very high	134 Å²	134	54.8 Å²	54.8	51%	0.508	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-51.5	176.6	-69.8	97.7	0	0	0	110.9	D384 Q388 E420 I423	D384-W386 VanDerWaalsContact C-N 3.26Å; D384-W386 PolarHBondContact O-N 3.12Å; D384-W386 WeakPolarHBondContact OD1-CB 3.35Å; D384-W386 PolarHBondContact OD1-N 3.29Å; W386-Q388 VanDerWaalsContact C-N 3.32Å; W386-E420 HydrophobicContact CD2-CB 4.06Å; W386-E420 HydrophobicContact CE3-CB 3.72Å; W386-E420 HydrophobicContact CZ3-CB 3.97Å; W386-E420 WeakPolarHBondContact CZ3-OE2 3.27Å; W386-I423 HydrophobicContact CD2-CD1 4.33Å; W386-I423 HydrophobicContact CG-CD1 4.24Å; W386-I423 HydrophobicContact CZ2-CD1 4.33Å
387	T	89.7	Confident	93.5	Very high	85 Å²	85	51.4 Å²	51.4	52%	0.521	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.1	176.8	59.2	0	0	0	0	113	D384 S389	D384-T387 WeakPolarHBondContact CB-OG1 3.46Å; D384-T387 VanDerWaalsContact CG-OG1 3.27Å; D384-T387 WeakPolarHBondContact OD2-CB 3.43Å; D384-T387 WeakPolarHBondContact OD2-CG2 3.44Å; D384-T387 PolarHBondContact OD2-N 2.77Å; D384-T387 PolarHBondContact OD2-OG1 2.91Å; T387-S389 WeakPolarHBondContact CB-OG 3.47Å; T387-S389 PolarHBondContact O-N 3.31Å; T387-S389 PolarHBondContact OG1-OG 3.3Å
388	Q	93.3	Very high	93.4	Very high	105 Å²	105	49 Å²	49	49%	0.491	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	34.4	-174.1	-61.7	174.3	33.7	0	0	112.5	Y383 D384 P385 W386	Y383-Q388 WeakPolarHBondContact OH-CA 3.37Å; Y383-Q388 WeakPolarHBondContact OH-CB 3.29Å; D384-Q388 WeakPolarHBondContact O-CA 3.48Å; D384-Q388 PolarHBondContact O-N 2.92Å; P385-Q388 WeakPolarHBondContact O-CG 3.24Å; W386-Q388 VanDerWaalsContact C-N 3.32Å
389	S	94.9	Very high	93.1	Very high	42 Å²	42	49.6 Å²	49.6	29%	0.294	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.7	-173.6	73.2	0	0	0	0	111	D384 T387	D384-S389 PolarHBondContact N-O 3.37Å; D384-S389 PolarHBondContact O-N 3.38Å; T387-S389 WeakPolarHBondContact CB-OG 3.47Å; T387-S389 PolarHBondContact O-N 3.31Å; T387-S389 PolarHBondContact OG1-OG 3.3Å
390	C	96.5	Very high	92.7	Very high	8 Å²	8	47.1 Å²	47.1	5%	0.054	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.6	175.4	-63.9	0	0	0	0	109.7	W381 Y382 E408 C411 L412	W381-C390 HydrophobicContact CE3-CB 3.86Å; W381-C390 HydrophobicContact CZ3-CB 4.46Å; W381-C390 WeakPolarHBondContact CZ3-O 3.46Å; Y382-C390 CarbonylContact O-C 3.36Å; Y382-C390 VanDerWaalsContact O-CA 3.23Å; Y382-C390 WeakPolarHBondContact O-CA 3.38Å; C390-E408 HydrophobicContact CB-CG 4.04Å; C390-C411 HydrophobicContact CB-CB 3.78Å; C390-C411 WeakPolarHBondContact CB-SG 3.31Å; C390-C411 VanDerWaalsContact SG-C 3.51Å; C390-C411 WeakPolarHBondContact SG-CB 3.42Å; C390-C411 CovalentContact SG-SG 2.02Å; C390-C411 PolarHBondContact SG-SG 3.32Å; C390-L412 HydrophobicContact CB-CD2 4.44Å; C390-L412 HydrophobicContact CB-CG 4.44Å; C390-L412 PolarHBondContact SG-N 2.84Å; C390-L412 VanDerWaalsContact SG-N 3.41Å
391	T	95.1	Very high	92.3	Very high	47 Å²	47	46.6 Å²	46.6	29%	0.288	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	156	178.1	63.4	0	0	0	0	111.1	W381 Y382	W381-T391 WeakPolarHBondContact CA-O 3.42Å; Y382-T391 VanDerWaalsContact CD1-O 3.25Å; Y382-T391 WeakPolarHBondContact CD1-O 3.01Å; Y382-T391 WeakPolarHBondContact CE1-OG1 3.45Å; Y382-T391 PolarHBondContact N-O 3.44Å; Y382-T391 PolarHBondContact O-N 3.12Å; Y382-T391 PolarHBondContact OH-OG1 2.81Å
392	L	95.7	Very high	91.9	Very high	98 Å²	98	49 Å²	49	51%	0.513	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	140.9	-179	-75.1	170.1	0	0	0	111.1	K380 W381	K380-L392 CarbonylContact O-C 3.59Å; K380-L392 VanDerWaalsContact O-CA 3.31Å; K380-L392 WeakPolarHBondContact O-CA 3.36Å; K380-L392 WeakPolarHBondContact O-CD2 3.2Å; W381-L392 HydrophobicContact CD2-CD2 3.69Å; W381-L392 HydrophobicContact CD2-CG 4.11Å; W381-L392 VanDerWaalsContact CE2-CD2 3.41Å; W381-L392 HydrophobicContact CE3-CD2 4.29Å; W381-L392 HydrophobicContact CE3-CG 4.22Å; W381-L392 HydrophobicContact CG-CD2 3.98Å; W381-L392 HydrophobicContact CH2-CD1 4.44Å; W381-L392 HydrophobicContact CH2-CD2 4.46Å; W381-L392 HydrophobicContact CH2-CG 4.07Å; W381-L392 HydrophobicContact CZ2-CD1 4.22Å; W381-L392 HydrophobicContact CZ2-CD2 3.84Å; W381-L392 HydrophobicContact CZ2-CG 3.9Å; W381-L392 HydrophobicContact CZ3-CG 4.22Å
393	F	93.3	Very high	91.8	Very high	22 Å²	22	46.5 Å²	46.5	10%	0.096	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	161.8	167.6	80.6	-72.9	0	0	0	110.7	P369 S379 K380 Y382 R404	P369-F393 HydrophobicContact CB-CB 4.2Å; P369-F393 HydrophobicContact CB-CD1 4.15Å; P369-F393 HydrophobicContact CB-CD2 3.76Å; P369-F393 HydrophobicContact CB-CE1 4.42Å; P369-F393 HydrophobicContact CB-CE2 4.08Å; P369-F393 HydrophobicContact CB-CG 3.78Å; P369-F393 HydrophobicContact CB-CZ 4.38Å; S379-F393 WeakPolarHBondContact CA-O 3.31Å; K380-F393 HydrophobicContact CB-CD1 4.09Å; K380-F393 HydrophobicContact CB-CE1 3.59Å; K380-F393 HydrophobicContact CB-CZ 4.09Å; K380-F393 PolarHBondContact N-O 2.88Å; K380-F393 VanDerWaalsContact O-CD1 3.32Å; K380-F393 WeakPolarHBondContact O-CD1 3.28Å; K380-F393 PolarHBondContact O-N 3.21Å; Y382-F393 HydrophobicContact CD1-CB 3.98Å; Y382-F393 AromaticContact CD1-CD1 3.72Å; Y382-F393 HydrophobicContact CD1-CD1 3.72Å; Y382-F393 HydrophobicContact CD1-CG 4.12Å; Y382-F393 HydrophobicContact CE1-CB 4.21Å; Y382-F393 HydrophobicContact CG-CD1 4.27Å; F393-R404 HydrophobicContact CE1-CB 4.38Å; F393-R404 HydrophobicContact CE1-CG 4.06Å; F393-R404 HydrophobicContact CZ-CB 4.15Å; F393-R404 HydrophobicContact CZ-CG 3.8Å
394	N	92	Very high	91.8	Very high	95 Å²	95	49.5 Å²	49.5	51%	0.508	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.5	175.7	-64.6	-34.1	0	0	0	109.5	T371	T371-N394 WeakPolarHBondContact CG2-O 3.13Å; T371-N394 PolarHBondContact OG1-O 2.75Å
395	Y	93.9	Very high	92	Very high	26 Å²	26	48 Å²	48	10%	0.102	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.9	174	175.1	-118.8	0	0	0	110.7	T371 S378 K380 G397 C398 D399 R404	T371-Y395 WeakPolarHBondContact O-CD2 3.43Å; S378-Y395 PolarHBondContact N-O 3.24Å; S378-Y395 PolarHBondContact O-N 2.8Å; K380-Y395 HydrophobicContact CG-CD1 4.31Å; K380-Y395 HydrophobicContact CG-CG 4.27Å; Y395-G397 VanDerWaalsContact C-N 3.28Å; Y395-G397 VanDerWaalsContact CE1-CA 3.41Å; Y395-G397 PolarHBondContact O-N 3.42Å; Y395-C398 VanDerWaalsContact CE2-O 3.27Å; Y395-C398 WeakPolarHBondContact CE2-O 3.26Å; Y395-C398 WeakPolarHBondContact OH-CA 3.04Å; Y395-C398 PolarHBondContact OH-N 3.25Å; Y395-C398 PolarHBondContact OH-O 3.46Å; Y395-D399 PolarHBondContact OH-O 2.64Å; Y395-D399 VanDerWaalsContact OH-O 3.04Å; Y395-R404 VanDerWaalsContact CZ-NH1 3.31Å; Y395-R404 PolarHBondContact OH-NH1 2.95Å
396	G	91.6	Very high	92.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.287	C	S	.	.			trans	-73.7	-10.8	-173.8	0	0	0	0	0	115.4	T371 C374 R375 D376	T371-G396 VanDerWaalsContact O-CA 3.23Å; T371-G396 WeakPolarHBondContact O-CA 3.44Å; T371-G396 PolarHBondContact O-N 3.37Å; C374-G396 CarbonylContact C-O 3.59Å; C374-G396 WeakPolarHBondContact CB-O 3.44Å; C374-G396 CarbonylContact O-C 3.54Å; C374-G396 WeakPolarHBondContact O-CA 3.39Å; R375-G396 PolarHBondContact N-O 3.36Å; D376-G396 WeakPolarHBondContact CA-O 3.41Å; D376-G396 WeakPolarHBondContact CB-O 3.35Å; D376-G396 PolarHBondContact N-O 3.46Å; D376-G396 VanDerWaalsContact O-CA 3.29Å; D376-G396 WeakPolarHBondContact O-CA 3.32Å
397	G	91.2	Very high	92.8	Very high	38 Å²	38	49 Å²	49	39%	0.392	28%	0.275	S	S	.	.	S	Bend	trans	98.8	-9.8	177.3	0	0	0	0	0	115.6	Y395	Y395-G397 VanDerWaalsContact C-N 3.28Å; Y395-G397 VanDerWaalsContact CE1-CA 3.41Å; Y395-G397 PolarHBondContact O-N 3.42Å
398	C	90.1	Very high	93.1	Very high	33 Å²	33	48.8 Å²	48.8	22%	0.223	27%	0.268	C	S	.	.	S	Bend	trans	-143.8	167.1	171.6	71.8	0	0	0	0	111.6	G372 C374 Y395	G372-C398 WeakPolarHBondContact CA-O 3.24Å; C374-C398 HydrophobicContact CB-CB 3.87Å; C374-C398 WeakPolarHBondContact CB-SG 3.48Å; C374-C398 PolarHBondContact N-SG 2.95Å; C374-C398 WeakPolarHBondContact SG-CB 3.26Å; C374-C398 CovalentContact SG-SG 2.02Å; C374-C398 PolarHBondContact SG-SG 2.76Å; Y395-C398 VanDerWaalsContact CE2-O 3.27Å; Y395-C398 WeakPolarHBondContact CE2-O 3.26Å; Y395-C398 WeakPolarHBondContact OH-CA 3.04Å; Y395-C398 PolarHBondContact OH-N 3.25Å; Y395-C398 PolarHBondContact OH-O 3.46Å
399	D	87.4	Confident	93.3	Very high	51 Å²	51	49 Å²	49	27%	0.273	27%	0.269	S	S	.	.			trans	56.7	-134.7	-175.6	-60.9	-27	0	0	0	112.8	K280 T373 Y395 R404	K280-D399 VanDerWaalsContact CE-OD1 3.23Å; K280-D399 WeakPolarHBondContact CE-OD1 3.2Å; K280-D399 IonicContact NZ-OD1 3.97Å; K280-D399 PolarHBondContact NZ-OD1 2.96Å; K280-D399 IonicContact NZ-OD2 3.34Å; K280-D399 PolarHBondContact NZ-OD2 3.02Å; T373-D399 PolarHBondContact OG1-OD2 2.93Å; T373-D399 VanDerWaalsContact OG1-OD2 3.13Å; Y395-D399 PolarHBondContact OH-O 2.64Å; Y395-D399 VanDerWaalsContact OH-O 3.04Å; D399-R404 PolarHBondContact O-NH1 3.47Å
400	G	86.8	Confident	93.4	Very high	26 Å²	26	49.7 Å²	49.7	27%	0.268	27%	0.268	S	S	.	.			trans	81.6	-169.2	-173.8	0	0	0	0	0	113.3	D370	D370-G400 WeakPolarHBondContact OD2-CA 3.21Å
401	N	88	Confident	93.4	Very high	18 Å²	18	49.3 Å²	49.3	10%	0.096	27%	0.265	C	S	.	.			trans	-124.3	-179	172.9	59	43.3	0	0	0	110.6	E368 N403	E368-N401 PolarHBondContact O-ND2 3.31Å; N401-N403 VanDerWaalsContact C-N 3.28Å; N401-N403 PolarHBondContact O-N 3.17Å; N401-N403 WeakPolarHBondContact OD1-CB 3.26Å; N401-N403 PolarHBondContact OD1-N 3.19Å
402	D	90.1	Very high	93.4	Very high	101 Å²	101	50.4 Å²	50.4	54%	0.54	27%	0.269	S	S	.	.	S	Bend	trans	-79.6	-6.8	-176.7	-72.6	-18.8	0	0	0	113.1	Y364 R404	Y364-D402 VanDerWaalsContact CB-CB 3.48Å; Y364-D402 HydrophobicContact CD1-CB 4.28Å; Y364-D402 HydrophobicContact CD2-CB 3.93Å; Y364-D402 VanDerWaalsContact CD2-O 3.25Å; Y364-D402 WeakPolarHBondContact CD2-O 3.32Å; Y364-D402 HydrophobicContact CG-CB 3.68Å; D402-R404 PolarHBondContact O-N 2.88Å
403	N	93.2	Very high	93.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.			trans	-74.9	49.6	169.9	-155.2	-0.7	0	0	0	112.1	Y364 C365 D367 Y382 Y383 N401 F405	Y364-N403 WeakPolarHBondContact O-CB 3.47Å; C365-N403 PolarHBondContact O-ND2 3.12Å; D367-N403 HydrophobicContact CB-CB 4.43Å; D367-N403 PolarHBondContact O-ND2 2.94Å; Y382-N403 WeakPolarHBondContact CA-O 3.38Å; Y382-N403 WeakPolarHBondContact CB-O 3.27Å; Y383-N403 WeakPolarHBondContact CB-OD1 3.31Å; Y383-N403 PolarHBondContact N-OD1 3.2Å; Y383-N403 PolarHBondContact O-ND2 2.83Å; N401-N403 VanDerWaalsContact C-N 3.28Å; N401-N403 PolarHBondContact O-N 3.17Å; N401-N403 WeakPolarHBondContact OD1-CB 3.26Å; N401-N403 PolarHBondContact OD1-N 3.19Å; N403-F405 WeakPolarHBondContact OD1-CE2 3.49Å
404	R	95.4	Very high	93.3	Very high	69 Å²	69	55 Å²	55	26%	0.26	28%	0.281	S	S	.	.			trans	-144.2	112.5	-172.1	-178.1	-175.3	62.7	-130.6	-9.5	109.9	K380 W381 F393 Y395 D399 D402	K380-R404 HydrophobicContact CB-CG 3.78Å; K380-R404 HydrophobicContact CD-CG 4.37Å; K380-R404 HydrophobicContact CG-CG 3.88Å; W381-R404 CarbonylContact O-C 3.46Å; W381-R404 WeakPolarHBondContact O-CA 3.4Å; F393-R404 HydrophobicContact CE1-CB 4.38Å; F393-R404 HydrophobicContact CE1-CG 4.06Å; F393-R404 HydrophobicContact CZ-CB 4.15Å; F393-R404 HydrophobicContact CZ-CG 3.8Å; Y395-R404 VanDerWaalsContact CZ-NH1 3.31Å; Y395-R404 PolarHBondContact OH-NH1 2.95Å; D399-R404 PolarHBondContact O-NH1 3.47Å; D402-R404 PolarHBondContact O-N 2.88Å
405	F	96.5	Very high	93.3	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.018	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-122.7	153.9	-174.8	-46.2	-83.9	0	0	0	111.7	Y364 W381 N403 Q410 C411 E414 C415	Y364-F405 HydrophobicContact CD2-CZ 4.24Å; Y364-F405 AromaticContact CE2-CE1 3.92Å; Y364-F405 HydrophobicContact CE2-CE1 3.92Å; Y364-F405 AromaticContact CE2-CZ 3.71Å; Y364-F405 HydrophobicContact CE2-CZ 3.71Å; W381-F405 HydrophobicContact CB-CB 4.27Å; W381-F405 PolarHBondContact N-O 3.15Å; W381-F405 WeakPolarHBondContact O-CD2 3.28Å; W381-F405 PolarHBondContact O-N 2.79Å; N403-F405 WeakPolarHBondContact OD1-CE2 3.49Å; F405-Q410 HydrophobicContact CB-CB 4.44Å; F405-Q410 HydrophobicContact CB-CG 4.41Å; F405-Q410 HydrophobicContact CD1-CG 4.11Å; F405-C411 HydrophobicContact CB-CB 3.84Å; F405-C411 HydrophobicContact CD1-CB 4.46Å; F405-C411 HydrophobicContact CD2-CB 3.27Å; F405-C411 WeakPolarHBondContact CD2-SG 3.34Å; F405-C411 HydrophobicContact CE2-CB 3.89Å; F405-C411 HydrophobicContact CG-CB 3.6Å; F405-E414 HydrophobicContact CE1-CB 3.88Å; F405-E414 HydrophobicContact CE1-CG 4.37Å; F405-E414 WeakPolarHBondContact CE1-OE2 3.39Å; F405-E414 HydrophobicContact CZ-CB 4.43Å; F405-C415 WeakPolarHBondContact CZ-SG 3.39Å
406	E	96.3	Very high	93.1	Very high	125 Å²	125	55.8 Å²	55.8	58%	0.584	28%	0.283	S	S	*	.	S	Bend	trans	-78.1	-28.7	178.3	-62.9	-60.3	153.7	0	0	112.4	K380	K380-E406 IonicContact NZ-OE1 3.9Å; K380-E406 PolarHBondContact NZ-OE1 3.46Å; K380-E406 IonicContact NZ-OE2 3.34Å; K380-E406 PolarHBondContact NZ-OE2 3.39Å
407	S	97.3	Very high	93	Very high	36 Å²	36	58.7 Å²	58.7	25%	0.252	31%	0.312	S	S	.	.	S	Bend	trans	-137.7	152.7	-178.7	100.2	0	0	0	0	112.5	W381 E409 Q410 C411	W381-S407 VanDerWaalsContact CD1-C 3.47Å; S407-E409 VanDerWaalsContact C-N 3.27Å; S407-E409 VanDerWaalsContact CB-OE2 3.3Å; S407-E409 WeakPolarHBondContact CB-OE2 3.26Å; S407-E409 PolarHBondContact O-N 2.7Å; S407-E409 PolarHBondContact OG-N 2.8Å; S407-E409 PolarHBondContact OG-OE2 2.68Å; S407-Q410 PolarHBondContact O-N 3.01Å; S407-Q410 PolarHBondContact OG-N 2.94Å; S407-Q410 VanDerWaalsContact OG-N 3.16Å; S407-C411 PolarHBondContact O-N 3.45Å
408	E	97.3	Very high	92.9	Very high	81 Å²	81	57.4 Å²	57.4	38%	0.379	30%	0.297	S	S	.	.	H	α-helix	trans	-57.6	-42.1	176.2	-168.7	-179.7	171.5	0	0	111.2	W381 C390 Q410 C411 L412	W381-E408 HydrophobicContact CD2-CB 3.82Å; W381-E408 HydrophobicContact CD2-CG 4.37Å; W381-E408 HydrophobicContact CE3-CB 3.83Å; W381-E408 HydrophobicContact CE3-CG 3.86Å; W381-E408 HydrophobicContact CH2-CB 3.74Å; W381-E408 HydrophobicContact CH2-CG 3.88Å; W381-E408 WeakPolarHBondContact CH2-OE2 3.21Å; W381-E408 HydrophobicContact CZ2-CB 3.76Å; W381-E408 HydrophobicContact CZ2-CG 4.41Å; W381-E408 HydrophobicContact CZ3-CB 3.78Å; W381-E408 HydrophobicContact CZ3-CG 3.58Å; C390-E408 HydrophobicContact CB-CG 4.04Å; E408-Q410 VanDerWaalsContact C-N 3.34Å; E408-Q410 PolarHBondContact O-N 3.39Å; E408-C411 WeakPolarHBondContact O-CB 3.49Å; E408-C411 PolarHBondContact O-N 2.83Å; E408-L412 HydrophobicContact CG-CD1 4.18Å; E408-L412 WeakPolarHBondContact O-CG 3.49Å; E408-L412 PolarHBondContact O-N 3.35Å
409	E	96.8	Very high	92.9	Very high	108 Å²	108	57.3 Å²	57.3	51%	0.505	30%	0.296	S	S	.	.	H	α-helix	trans	-69.9	-33.2	-178.2	-50.2	79.8	-178	0	0	112	S407 R413	S407-E409 VanDerWaalsContact C-N 3.27Å; S407-E409 VanDerWaalsContact CB-OE2 3.3Å; S407-E409 WeakPolarHBondContact CB-OE2 3.26Å; S407-E409 PolarHBondContact O-N 2.7Å; S407-E409 PolarHBondContact OG-N 2.8Å; S407-E409 PolarHBondContact OG-OE2 2.68Å; E409-R413 WeakPolarHBondContact O-CB 3.33Å; E409-R413 WeakPolarHBondContact O-CG 3.32Å; E409-R413 VanDerWaalsContact O-CZ 3.25Å; E409-R413 PolarHBondContact O-N 2.9Å; E409-R413 VanDerWaalsContact O-N 3.17Å; E409-R413 PolarHBondContact O-NE 3.08Å; E409-R413 PolarHBondContact O-NH1 3.39Å
410	Q	96.4	Very high	92.8	Very high	58 Å²	58	59.2 Å²	59.2	27%	0.271	30%	0.303	S	S	.	.	H	α-helix	trans	-63.8	-50.8	171.8	-177.4	-175.5	6	0	0	110.1	F405 S407 E408 L412 R413 E414	F405-Q410 HydrophobicContact CB-CB 4.44Å; F405-Q410 HydrophobicContact CB-CG 4.41Å; F405-Q410 HydrophobicContact CD1-CG 4.11Å; S407-Q410 PolarHBondContact O-N 3.01Å; S407-Q410 PolarHBondContact OG-N 2.94Å; S407-Q410 VanDerWaalsContact OG-N 3.16Å; E408-Q410 VanDerWaalsContact C-N 3.34Å; E408-Q410 PolarHBondContact O-N 3.39Å; Q410-L412 PolarHBondContact O-N 2.54Å; Q410-R413 PolarHBondContact O-N 3.47Å; Q410-E414 HydrophobicContact CG-CG 4.35Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.28Å; Q410-E414 PolarHBondContact NE2-OE1 3.47Å; Q410-E414 WeakPolarHBondContact O-CB 3.28Å; Q410-E414 WeakPolarHBondContact O-CG 3.42Å; Q410-E414 PolarHBondContact O-N 3.24Å
411	C	96.3	Very high	92.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-53.7	-51.3	178.6	173.8	0	0	0	0	112.1	W381 C390 F405 S407 E408 R413 E414 C415	W381-C411 HydrophobicContact CB-CB 4.23Å; C390-C411 HydrophobicContact CB-CB 3.78Å; C390-C411 WeakPolarHBondContact CB-SG 3.31Å; C390-C411 VanDerWaalsContact SG-C 3.51Å; C390-C411 WeakPolarHBondContact SG-CB 3.42Å; C390-C411 CovalentContact SG-SG 2.02Å; C390-C411 PolarHBondContact SG-SG 3.32Å; F405-C411 HydrophobicContact CB-CB 3.84Å; F405-C411 HydrophobicContact CD1-CB 4.46Å; F405-C411 HydrophobicContact CD2-CB 3.27Å; F405-C411 WeakPolarHBondContact CD2-SG 3.34Å; F405-C411 HydrophobicContact CE2-CB 3.89Å; F405-C411 HydrophobicContact CG-CB 3.6Å; S407-C411 PolarHBondContact O-N 3.45Å; E408-C411 WeakPolarHBondContact O-CB 3.49Å; E408-C411 PolarHBondContact O-N 2.83Å; C411-R413 PolarHBondContact O-N 3.33Å; C411-E414 PolarHBondContact O-N 3.46Å; C411-C415 WeakPolarHBondContact O-CB 3.29Å; C411-C415 PolarHBondContact O-N 3.48Å
412	L	95.3	Very high	92.6	Very high	69 Å²	69	65.2 Å²	65.2	36%	0.361	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-37.2	-179.3	-70.4	173.8	0	0	0	113	C390 E408 Q410 Q416	C390-L412 HydrophobicContact CB-CD2 4.44Å; C390-L412 HydrophobicContact CB-CG 4.44Å; C390-L412 PolarHBondContact SG-N 2.84Å; C390-L412 VanDerWaalsContact SG-N 3.41Å; E408-L412 HydrophobicContact CG-CD1 4.18Å; E408-L412 WeakPolarHBondContact O-CG 3.49Å; E408-L412 PolarHBondContact O-N 3.35Å; Q410-L412 PolarHBondContact O-N 2.54Å; L412-Q416 WeakPolarHBondContact O-CA 3.37Å; L412-Q416 WeakPolarHBondContact O-CB 3.35Å; L412-Q416 PolarHBondContact O-N 3.47Å
413	R	94.1	Very high	92.3	Very high	153 Å²	153	61.1 Å²	61.1	58%	0.577	30%	0.3	S	S	*	.	H	α-helix	trans	-69.5	-42.7	177.8	-76	-172.4	-50.8	-95.5	-0.1	112	E409 Q410 C411	E409-R413 WeakPolarHBondContact O-CB 3.33Å; E409-R413 WeakPolarHBondContact O-CG 3.32Å; E409-R413 VanDerWaalsContact O-CZ 3.25Å; E409-R413 PolarHBondContact O-N 2.9Å; E409-R413 VanDerWaalsContact O-N 3.17Å; E409-R413 PolarHBondContact O-NE 3.08Å; E409-R413 PolarHBondContact O-NH1 3.39Å; Q410-R413 PolarHBondContact O-N 3.47Å; C411-R413 PolarHBondContact O-N 3.33Å
414	E	92.4	Very high	91.6	Very high	64 Å²	64	62 Å²	62	30%	0.299	30%	0.304	S	S	.	.	H	α-helix	trans	-72.7	-38.5	-177.5	-72.5	-168.2	-147.9	0	0	112.1	R362 Y364 F405 Q410 C411	R362-E414 WeakPolarHBondContact CD-O 3.3Å; R362-E414 WeakPolarHBondContact CG-O 3.28Å; R362-E414 PolarHBondContact NE-O 3.28Å; R362-E414 PolarHBondContact NH2-O 2.83Å; Y364-E414 PolarHBondContact OH-OE2 2.81Å; F405-E414 HydrophobicContact CE1-CB 3.88Å; F405-E414 HydrophobicContact CE1-CG 4.37Å; F405-E414 WeakPolarHBondContact CE1-OE2 3.39Å; F405-E414 HydrophobicContact CZ-CB 4.43Å; Q410-E414 HydrophobicContact CG-CG 4.35Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.28Å; Q410-E414 PolarHBondContact NE2-OE1 3.47Å; Q410-E414 WeakPolarHBondContact O-CB 3.28Å; Q410-E414 WeakPolarHBondContact O-CG 3.42Å; Q410-E414 PolarHBondContact O-N 3.24Å; C411-E414 PolarHBondContact O-N 3.46Å
415	C	92.8	Very high	90.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-98.5	10.5	-177.5	-63.6	0	0	0	0	114.9	C365 Y383 F405 C411 G417 V418	C365-C415 HydrophobicContact CB-CB 3.64Å; C365-C415 WeakPolarHBondContact CB-SG 3.2Å; C365-C415 WeakPolarHBondContact SG-CA 3.38Å; C365-C415 WeakPolarHBondContact SG-CB 3.33Å; C365-C415 CovalentContact SG-SG 2.03Å; C365-C415 PolarHBondContact SG-SG 2.98Å; Y383-C415 HydrophobicContact CD1-CB 3.63Å; Y383-C415 HydrophobicContact CD2-CB 3.53Å; Y383-C415 HydrophobicContact CE1-CB 4.02Å; Y383-C415 HydrophobicContact CE2-CB 3.96Å; Y383-C415 HydrophobicContact CG-CB 3.35Å; F405-C415 WeakPolarHBondContact CZ-SG 3.39Å; C411-C415 WeakPolarHBondContact O-CB 3.29Å; C411-C415 PolarHBondContact O-N 3.48Å; C415-G417 PolarHBondContact O-N 2.92Å; C415-V418 WeakPolarHBondContact O-CB 3.35Å; C415-V418 WeakPolarHBondContact O-CG2 3.32Å; C415-V418 PolarHBondContact O-N 2.86Å; C415-V418 VanDerWaalsContact O-N 3.14Å
416	Q	90.7	Very high	88.4	Confident	138 Å²	138	68.6 Å²	68.6	65%	0.645	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	124.9	-176.9	-169.3	177.9	-1.9	0	0	112.7	R362 L412 V418	R362-Q416 PolarHBondContact NH1-O 3.47Å; L412-Q416 WeakPolarHBondContact O-CA 3.37Å; L412-Q416 WeakPolarHBondContact O-CB 3.35Å; L412-Q416 PolarHBondContact O-N 3.47Å; Q416-V418 VanDerWaalsContact C-N 3.32Å; Q416-V418 PolarHBondContact O-N 3.3Å
417	G	88	Confident	85.7	Confident	60 Å²	60	65.6 Å²	65.6	62%	0.619	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	2.3	175.5	0	0	0	0	0	115.2	C415	C415-G417 PolarHBondContact O-N 2.92Å
418	V	89.6	Confident	82.6	Confident	12 Å²	12	69.8 Å²	69.8	7%	0.073	34%	0.342	C	S	.	.			trans	-73.6	136.4	162.6	179.5	0	0	0	0	108.3	R362 C365 T366 Y383 P385 C415 Q416 D422	R362-V418 HydrophobicContact CB-CG2 3.82Å; C365-V418 HydrophobicContact CB-CB 4.26Å; C365-V418 HydrophobicContact CB-CG1 4.06Å; C365-V418 HydrophobicContact CB-CG2 3.94Å; T366-V418 HydrophobicContact CG2-CG1 3.59Å; Y383-V418 HydrophobicContact CE1-CB 3.83Å; Y383-V418 HydrophobicContact CE1-CG1 4.13Å; Y383-V418 PolarHBondContact OH-O 2.83Å; P385-V418 HydrophobicContact CB-CG1 4.17Å; P385-V418 HydrophobicContact CG-CG1 4.17Å; C415-V418 WeakPolarHBondContact O-CB 3.35Å; C415-V418 WeakPolarHBondContact O-CG2 3.32Å; C415-V418 PolarHBondContact O-N 2.86Å; C415-V418 VanDerWaalsContact O-N 3.14Å; Q416-V418 VanDerWaalsContact C-N 3.32Å; Q416-V418 PolarHBondContact O-N 3.3Å; V418-D422 HydrophobicContact CG1-CB 4.36Å
419	T	89.7	Confident	79.6	Confident	31 Å²	31	74 Å²	74	19%	0.19	36%	0.359	C	S	.	.			trans	-138.1	171.2	-174.6	64.8	0	0	0	0	111.5	P385 K421 D422	P385-T419 CarbonylContact O-C 3.59Å; T419-K421 PolarHBondContact O-N 3.48Å; T419-K421 PolarHBondContact OG1-N 2.9Å; T419-D422 PolarHBondContact N-OD2 2.71Å; T419-D422 WeakPolarHBondContact O-CB 3.4Å; T419-D422 PolarHBondContact O-N 3.41Å; T419-D422 PolarHBondContact OG1-OD2 3.22Å
420	E	86.3	Confident	76.5	Confident	90 Å²	90	72.7 Å²	72.7	42%	0.421	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-48	-26.6	170.3	66.1	-179.5	-163	0	0	114.4	P385 W386 D422 I423	P385-E420 PolarHBondContact O-N 3.32Å; W386-E420 HydrophobicContact CD2-CB 4.06Å; W386-E420 HydrophobicContact CE3-CB 3.72Å; W386-E420 HydrophobicContact CZ3-CB 3.97Å; W386-E420 WeakPolarHBondContact CZ3-OE2 3.27Å; E420-D422 PolarHBondContact O-N 2.99Å; E420-I423 PolarHBondContact O-N 3.43Å
421	K	84.4	Confident	73.5	Confident	139 Å²	139	78.7 Å²	78.7	60%	0.604	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-71.6	-18.5	179.4	-64.8	178.8	-177.1	171.2	0	112.7	T419	T419-K421 PolarHBondContact O-N 3.48Å; T419-K421 PolarHBondContact OG1-N 2.9Å
422	D	85.5	Confident	70.5	Confident	32 Å²	32	89 Å²	89	17%	0.171	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-95.2	-7	-177.1	-49.3	-54.4	0	0	0	111.8	F41 K110 T366 V418 T419 E420	F41-D422 WeakPolarHBondContact CE1-O 3.08Å; K110-D422 WeakPolarHBondContact CD-OD1 3.29Å; K110-D422 IonicContact NZ-OD1 2.79Å; K110-D422 PolarHBondContact NZ-OD1 2.79Å; T366-D422 HydrophobicContact CG2-CB 4.28Å; V418-D422 HydrophobicContact CG1-CB 4.36Å; T419-D422 PolarHBondContact N-OD2 2.71Å; T419-D422 WeakPolarHBondContact O-CB 3.4Å; T419-D422 PolarHBondContact O-N 3.41Å; T419-D422 PolarHBondContact OG1-OD2 3.22Å; E420-D422 PolarHBondContact O-N 2.99Å
423	I	83.8	Confident	67.6	Low	15 Å²	15	94.3 Å²	94.3	8%	0.077	46%	0.463	C	S	.	.			trans	-73.8	134.7	171.8	-61.4	176.8	0	0	0	110.1	K38 F41 T366 P385 W386 E420 D425	K38-I423 PolarHBondContact NZ-O 2.64Å; F41-I423 WeakPolarHBondContact CZ-O 3.42Å; T366-I423 HydrophobicContact CG2-CG1 4.46Å; P385-I423 HydrophobicContact CB-CD1 3.96Å; P385-I423 HydrophobicContact CB-CG1 4.09Å; P385-I423 HydrophobicContact CG-CD1 4.1Å; P385-I423 HydrophobicContact CG-CG1 4.09Å; W386-I423 HydrophobicContact CD2-CD1 4.33Å; W386-I423 HydrophobicContact CG-CD1 4.24Å; W386-I423 HydrophobicContact CZ2-CD1 4.33Å; E420-I423 PolarHBondContact O-N 3.43Å; I423-D425 HydrophobicContact CG2-CB 4.07Å
424	F	79.1	Confident	64.8	Low	17 Å²	17	94 Å²	94	8%	0.075	47%	0.468	C	S	.	.			trans	-78.7	-34.4	177.1	-178.4	-110.9	0	0	0	113.3	K38 F41 F108 I118	K38-F424 HydrophobicContact CB-CD2 3.96Å; K38-F424 HydrophobicContact CB-CE2 3.93Å; F41-F424 HydrophobicContact CB-CD2 3.57Å; F41-F424 HydrophobicContact CB-CE2 3.73Å; F41-F424 HydrophobicContact CD1-CB 4.02Å; F41-F424 AromaticContact CD1-CD2 3.6Å; F41-F424 HydrophobicContact CD1-CD2 3.6Å; F41-F424 HydrophobicContact CD1-CG 4.29Å; F41-F424 HydrophobicContact CD2-CD2 4.29Å; F41-F424 HydrophobicContact CE1-CB 4.1Å; F41-F424 HydrophobicContact CE1-CD2 4.35Å; F41-F424 AromaticContact CG-CD2 3.55Å; F41-F424 HydrophobicContact CG-CD2 3.55Å; F41-F424 HydrophobicContact CG-CE2 4.18Å; F108-F424 HydrophobicContact CB-CB 3.67Å; F108-F424 HydrophobicContact CB-CD1 3.85Å; F108-F424 HydrophobicContact CB-CD2 3.47Å; F108-F424 VanDerWaalsContact CB-CD2 3.47Å; F108-F424 HydrophobicContact CB-CE1 4.35Å; F108-F424 HydrophobicContact CB-CE2 4.02Å; F108-F424 HydrophobicContact CB-CG 3.36Å; F108-F424 HydrophobicContact CB-CZ 4.42Å; F108-F424 HydrophobicContact CD1-CD2 4.02Å; F108-F424 HydrophobicContact CD1-CE1 4.27Å; F108-F424 AromaticContact CD1-CE2 3.64Å; F108-F424 HydrophobicContact CD1-CE2 3.64Å; F108-F424 HydrophobicContact CD1-CG 4.47Å; F108-F424 AromaticContact CD1-CZ 3.79Å; F108-F424 HydrophobicContact CD1-CZ 3.79Å; F108-F424 AromaticContact CD2-CD1 3.5Å; F108-F424 HydrophobicContact CD2-CD1 3.5Å; F108-F424 HydrophobicContact CD2-CD2 4.3Å; F108-F424 AromaticContact CD2-CE1 3.4Å; F108-F424 HydrophobicContact CD2-CE1 3.4Å; F108-F424 VanDerWaalsContact CD2-CE1 3.4Å; F108-F424 HydrophobicContact CD2-CE2 4.22Å; F108-F424 AromaticContact CD2-CG 3.96Å; F108-F424 HydrophobicContact CD2-CG 3.96Å; F108-F424 AromaticContact CD2-CZ 3.79Å; F108-F424 HydrophobicContact CD2-CZ 3.79Å; F108-F424 HydrophobicContact CE1-CE1 4.46Å; F108-F424 HydrophobicContact CE1-CE2 4.12Å; F108-F424 AromaticContact CE1-CZ 3.89Å; F108-F424 HydrophobicContact CE1-CZ 3.89Å; F108-F424 HydrophobicContact CE2-CD1 4.18Å; F108-F424 AromaticContact CE2-CE1 3.62Å; F108-F424 HydrophobicContact CE2-CE1 3.62Å; F108-F424 AromaticContact CE2-CZ 3.88Å; F108-F424 HydrophobicContact CE2-CZ 3.88Å; F108-F424 HydrophobicContact CG-CB 4.49Å; F108-F424 AromaticContact CG-CD1 3.75Å; F108-F424 HydrophobicContact CG-CD1 3.75Å; F108-F424 AromaticContact CG-CD2 3.68Å; F108-F424 HydrophobicContact CG-CD2 3.68Å; F108-F424 AromaticContact CG-CE1 3.76Å; F108-F424 HydrophobicContact CG-CE1 3.76Å; F108-F424 AromaticContact CG-CE2 3.7Å; F108-F424 HydrophobicContact CG-CE2 3.7Å; F108-F424 AromaticContact CG-CG 3.7Å; F108-F424 HydrophobicContact CG-CG 3.7Å; F108-F424 AromaticContact CG-CZ 3.73Å; F108-F424 HydrophobicContact CG-CZ 3.73Å; F108-F424 HydrophobicContact CZ-CE1 4.15Å; F108-F424 AromaticContact CZ-CZ 3.93Å; F108-F424 HydrophobicContact CZ-CZ 3.93Å; I118-F424 HydrophobicContact CD1-CE1 3.54Å; I118-F424 HydrophobicContact CD1-CZ 3.51Å
425	D	71.1	Confident	61.8	Low	57 Å²	57	96.5 Å²	96.5	31%	0.305	49%	0.487	S	S	.	.	S	Bend	trans	-60.5	136.3	-168.8	-67.5	-20.4	0	0	0	114.2	I127 H129 I423 K427	I127-D425 WeakPolarHBondContact CG2-OD1 3.43Å; H129-D425 IonicContact CD2-OD2 2.86Å; H129-D425 PolarHBondContact CD2-OD2 3.15Å; I423-D425 HydrophobicContact CG2-CB 4.07Å; D425-K427 VanDerWaalsContact C-N 3.35Å; D425-K427 PolarHBondContact O-N 2.77Å
426	R	52.9	Low	59	Low	155 Å²	155	103.4 Å²	103.4	59%	0.585	52%	0.524	S	S	*	.	S	Bend	trans	-79.7	79.9	-175.5	-167.3	-176.1	124.6	-170.6	4.7	110.2	D35 Y123	D35-R426 IonicContact OD2-NH1 3.54Å; D35-R426 PolarHBondContact OD2-NH1 3.43Å; D35-R426 VanDerWaalsContact OD2-NH1 3.16Å; Y123-R426 HydrophobicContact CE2-CB 4.32Å; Y123-R426 WeakPolarHBondContact OH-CB 3.41Å; Y123-R426 PolarHBondContact OH-N 2.92Å; Y123-R426 VanDerWaalsContact OH-N 3.15Å
427	K	40.3	Very low	56.6	Low	63 Å²	63	100 Å²	100	27%	0.274	52%	0.515	S	S	.	.			trans	-144.1	92.2	145.7	-74.2	-166.4	-179.1	162.4	0	111.3	H129 D130 T131 D425	H129-K427 PolarHBondContact O-NZ 2.79Å; D130-K427 IonicContact OD1-NZ 3.92Å; D130-K427 PolarHBondContact OD1-NZ 2.84Å; T131-K427 HydrophobicContact CG2-CB 3.97Å; T131-K427 HydrophobicContact CG2-CD 3.54Å; T131-K427 HydrophobicContact CG2-CG 4.28Å; T131-K427 WeakPolarHBondContact OG1-CD 3.42Å; T131-K427 WeakPolarHBondContact OG1-CE 3.33Å; T131-K427 PolarHBondContact OG1-NZ 2.9Å; D425-K427 VanDerWaalsContact C-N 3.35Å; D425-K427 PolarHBondContact O-N 2.77Å
428	T	32.7	Very low	54.7	Low	123 Å²	123	100.8 Å²	100.8	76%	0.755	51%	0.505	S	S	*	.			trans	-71.7	115.4	137.8	36.9	0	0	0	0	107.4	A430	T428-A430 WeakPolarHBondContact CB-O 3.47Å; T428-A430 PolarHBondContact O-N 2.88Å; T428-A430 PolarHBondContact OG1-O 2.88Å
429	K	33.2	Very low	53	Low	171 Å²	171	105 Å²	105	74%	0.743	53%	0.532	S	S	*	.	S	Bend	trans	-48.5	125	145.1	-113.8	171.8	171	175.2	0	106
430	A	32.7	Very low	51.4	Low	79 Å²	79	106.8 Å²	106.8	65%	0.653	55%	0.545	S	S	*	.			trans	75.1	108.8	-166.1	0	0	0	0	0	113	T428	T428-A430 WeakPolarHBondContact CB-O 3.47Å; T428-A430 PolarHBondContact O-N 2.88Å; T428-A430 PolarHBondContact OG1-O 2.88Å
431	E	33.5	Very low	50.3	Low	185 Å²	185	106.9 Å²	106.9	86%	0.864	55%	0.552	S	S	*	*			cis	-139.2	100.9	47.2	-68.8	163	150.7	0	0	110.2
432	K	31.6	Very low	49.6	Very low	216 Å²	216	105 Å²	105	94%	0.939	55%	0.547	S	S	*	.	S	Bend	trans	-121.6	51.8	153.6	-161.1	-176.4	-176.9	-179	0	108.6
433	Q	35.7	Very low	49	Very low	181 Å²	181	105.7 Å²	105.7	85%	0.846	56%	0.557	S	S	*	*	S	Bend	trans	-165.3	88.6	170.3	-167.1	163.5	-0.5	0	0	107.1
434	E	34.9	Very low	48.7	Very low	146 Å²	146	109.7 Å²	109.7	68%	0.682	58%	0.578	S	S	*	*	S	Bend	trans	163	72.4	140.3	-155.7	166.3	-150.4	0	0	110.5
435	T	28.4	Very low	48.8	Very low	116 Å²	116	111.7 Å²	111.7	71%	0.712	60%	0.597	S	S	*	*	S	Bend	trans	-157	-17.4	160.7	10.9	0	0	0	0	114.7	T439	T435-T439 PolarHBondContact O-OG1 2.82Å
436	D	35.5	Very low	49.4	Very low	146 Å²	146	113.7 Å²	113.7	78%	0.781	61%	0.607	S	S	*	*	H	α-helix	trans	-94.2	-13.5	177.2	-83.4	-24.6	0	0	0	115.2	S440	D436-S440 PolarHBondContact O-OG 2.91Å; D436-S440 VanDerWaalsContact O-OG 3.09Å
437	S	38.9	Very low	51	Low	65 Å²	65	111.6 Å²	111.6	46%	0.455	61%	0.606	S	S	.	*	H	α-helix	trans	-82.3	-36.6	175.3	64.6	0	0	0	0	112.7	V441	S437-V441 VanDerWaalsContact O-CB 3.26Å; S437-V441 WeakPolarHBondContact O-CB 3.34Å; S437-V441 WeakPolarHBondContact O-CG2 3.16Å; S437-V441 PolarHBondContact O-N 2.83Å
438	N	48	Very low	53.4	Low	77 Å²	77	113.4 Å²	113.4	41%	0.412	62%	0.618	S	S	.	*	H	α-helix	trans	-75.3	-39.3	-169.9	-68	-15.1	0	0	0	111.7	I442	N438-I442 WeakPolarHBondContact O-CB 3.39Å; N438-I442 VanDerWaalsContact O-CD1 3.27Å; N438-I442 WeakPolarHBondContact O-CD1 3.46Å; N438-I442 WeakPolarHBondContact O-CG1 2.97Å; N438-I442 PolarHBondContact O-N 3.37Å
439	T	55.7	Low	56.1	Low	102 Å²	102	109.1 Å²	109.1	63%	0.626	60%	0.599	S	S	*	*	H	α-helix	trans	-67.7	-40	178	-36.2	0	0	0	0	111.9	T435 A443	T435-T439 PolarHBondContact O-OG1 2.82Å; T439-A443 VanDerWaalsContact O-CB 3.25Å; T439-A443 WeakPolarHBondContact O-CB 3.43Å; T439-A443 PolarHBondContact O-N 3.26Å
440	S	54.8	Low	58.9	Low	67 Å²	67	105.6 Å²	105.6	47%	0.469	59%	0.587	S	S	.	*	H	α-helix	trans	-71.6	-41	179.3	-56.1	0	0	0	0	112.2	D436 A443 I444	D436-S440 PolarHBondContact O-OG 2.91Å; D436-S440 VanDerWaalsContact O-OG 3.09Å; S440-A443 PolarHBondContact O-N 2.8Å; S440-I444 WeakPolarHBondContact O-CB 3.18Å; S440-I444 WeakPolarHBondContact O-CD1 3.35Å; S440-I444 WeakPolarHBondContact O-CG1 3.28Å; S440-I444 PolarHBondContact O-N 3.33Å
441	V	64	Low	61.6	Low	92 Å²	92	104 Å²	104	56%	0.558	57%	0.574	S	S	*	*	H	α-helix	trans	-70.7	-39.7	177.2	174.3	0	0	0	0	111.3	S437 I444 A445	S437-V441 VanDerWaalsContact O-CB 3.26Å; S437-V441 WeakPolarHBondContact O-CB 3.34Å; S437-V441 WeakPolarHBondContact O-CG2 3.16Å; S437-V441 PolarHBondContact O-N 2.83Å; V441-I444 PolarHBondContact O-N 2.86Å; V441-A445 VanDerWaalsContact O-CB 3.27Å; V441-A445 WeakPolarHBondContact O-CB 3.15Å; V441-A445 PolarHBondContact O-N 2.82Å
442	I	69.7	Low	64.4	Low	100 Å²	100	100.1 Å²	100.1	51%	0.513	56%	0.558	S	S	.	*	H	α-helix	trans	-65.1	-42.2	174.9	-68	165.8	0	0	0	110.5	N438 A445 I446	N438-I442 WeakPolarHBondContact O-CB 3.39Å; N438-I442 VanDerWaalsContact O-CD1 3.27Å; N438-I442 WeakPolarHBondContact O-CD1 3.46Å; N438-I442 WeakPolarHBondContact O-CG1 2.97Å; N438-I442 PolarHBondContact O-N 3.37Å; I442-A445 PolarHBondContact O-N 2.93Å; I442-I446 HydrophobicContact CG2-CD1 3.68Å; I442-I446 HydrophobicContact CG2-CG1 4.35Å; I442-I446 WeakPolarHBondContact O-CB 3.1Å; I442-I446 VanDerWaalsContact O-CG1 3.22Å; I442-I446 WeakPolarHBondContact O-CG1 3.35Å; I442-I446 PolarHBondContact O-N 2.95Å
443	A	72.1	Confident	67.3	Low	46 Å²	46	94.4 Å²	94.4	38%	0.38	54%	0.541	S	S	.	.	H	α-helix	trans	-62.1	-44.8	175.8	0	0	0	0	0	112.1	T439 S440 I446 I447	T439-A443 VanDerWaalsContact O-CB 3.25Å; T439-A443 WeakPolarHBondContact O-CB 3.43Å; T439-A443 PolarHBondContact O-N 3.26Å; S440-A443 PolarHBondContact O-N 2.8Å; A443-I446 PolarHBondContact O-N 2.88Å; A443-I447 WeakPolarHBondContact O-CB 3.4Å; A443-I447 WeakPolarHBondContact O-CD1 3.22Å; A443-I447 WeakPolarHBondContact O-CG1 3.44Å; A443-I447 PolarHBondContact O-N 2.93Å
444	I	78.8	Confident	69.9	Low	100 Å²	100	90.5 Å²	90.5	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-64.9	-41.4	176.9	-68.2	165.4	0	0	0	111	S440 V441 I447 L448	S440-I444 WeakPolarHBondContact O-CB 3.18Å; S440-I444 WeakPolarHBondContact O-CD1 3.35Å; S440-I444 WeakPolarHBondContact O-CG1 3.28Å; S440-I444 PolarHBondContact O-N 3.33Å; V441-I444 PolarHBondContact O-N 2.86Å; I444-I447 PolarHBondContact O-N 2.94Å; I444-L448 HydrophobicContact CG2-CD1 3.77Å; I444-L448 HydrophobicContact CG2-CG 4.31Å; I444-L448 WeakPolarHBondContact O-CB 3.44Å; I444-L448 VanDerWaalsContact O-CG 3.31Å; I444-L448 WeakPolarHBondContact O-CG 3.39Å; I444-L448 PolarHBondContact O-N 3.4Å
445	A	79.6	Confident	72.6	Confident	58 Å²	58	87.5 Å²	87.5	48%	0.479	52%	0.517	S	S	.	.	H	α-helix	trans	-65.1	-39.8	178	0	0	0	0	0	112.4	V441 I442 G449	V441-A445 VanDerWaalsContact O-CB 3.27Å; V441-A445 WeakPolarHBondContact O-CB 3.15Å; V441-A445 PolarHBondContact O-N 2.82Å; I442-A445 PolarHBondContact O-N 2.93Å; A445-G449 PolarHBondContact O-N 2.8Å
446	I	85.1	Confident	75.6	Confident	99 Å²	99	87.2 Å²	87.2	51%	0.508	51%	0.51	S	S	.	.	H	α-helix	trans	-65.5	-44.7	175	-68.9	167.3	0	0	0	110.4	I442 A443 G449 I450	I442-I446 HydrophobicContact CG2-CD1 3.68Å; I442-I446 HydrophobicContact CG2-CG1 4.35Å; I442-I446 WeakPolarHBondContact O-CB 3.1Å; I442-I446 VanDerWaalsContact O-CG1 3.22Å; I442-I446 WeakPolarHBondContact O-CG1 3.35Å; I442-I446 PolarHBondContact O-N 2.95Å; A443-I446 PolarHBondContact O-N 2.88Å; I446-G449 PolarHBondContact O-N 2.82Å; I446-I450 HydrophobicContact CG2-CD1 3.75Å; I446-I450 HydrophobicContact CG2-CG1 4.43Å; I446-I450 VanDerWaalsContact O-CG1 3.28Å; I446-I450 WeakPolarHBondContact O-CG1 3.45Å; I446-I450 PolarHBondContact O-N 2.85Å
447	I	86.3	Confident	78.1	Confident	112 Å²	112	83.3 Å²	83.3	57%	0.574	50%	0.498	S	S	*	.	H	α-helix	trans	-63.4	-44.4	178.7	-68.8	165.3	0	0	0	110.9	A443 I444 I450 A451	A443-I447 WeakPolarHBondContact O-CB 3.4Å; A443-I447 WeakPolarHBondContact O-CD1 3.22Å; A443-I447 WeakPolarHBondContact O-CG1 3.44Å; A443-I447 PolarHBondContact O-N 2.93Å; I444-I447 PolarHBondContact O-N 2.94Å; I447-I450 PolarHBondContact O-N 3.08Å; I447-A451 WeakPolarHBondContact O-CB 3.29Å; I447-A451 PolarHBondContact O-N 3.02Å
448	L	89.8	Confident	80.5	Confident	100 Å²	100	84 Å²	84	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-41.1	175.9	-74.1	171	0	0	0	111.7	I444 A451 I452	I444-L448 HydrophobicContact CG2-CD1 3.77Å; I444-L448 HydrophobicContact CG2-CG 4.31Å; I444-L448 WeakPolarHBondContact O-CB 3.44Å; I444-L448 VanDerWaalsContact O-CG 3.31Å; I444-L448 WeakPolarHBondContact O-CG 3.39Å; I444-L448 PolarHBondContact O-N 3.4Å; L448-A451 PolarHBondContact O-N 3.04Å; L448-I452 VanDerWaalsContact O-CG1 3.26Å; L448-I452 WeakPolarHBondContact O-CG1 3.45Å; L448-I452 PolarHBondContact O-N 3.1Å
449	G	90.4	Very high	82.4	Confident	34 Å²	34	85.4 Å²	85.4	35%	0.351	51%	0.506	S	S	.	.	H	α-helix	trans	-60.4	-46.9	175.2	0	0	0	0	0	112.5	A445 I446 I452 V453	A445-G449 PolarHBondContact O-N 2.8Å; I446-G449 PolarHBondContact O-N 2.82Å; G449-I452 PolarHBondContact O-N 2.9Å; G449-V453 WeakPolarHBondContact O-CG2 3.35Å; G449-V453 PolarHBondContact O-N 2.99Å; G449-V453 VanDerWaalsContact O-N 3.07Å
450	I	91.6	Very high	83.8	Confident	97 Å²	97	82 Å²	82	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-63	-43.1	176.7	-67.3	167.6	0	0	0	110.6	I446 I447 I452 V453 I454	I446-I450 HydrophobicContact CG2-CD1 3.75Å; I446-I450 HydrophobicContact CG2-CG1 4.43Å; I446-I450 VanDerWaalsContact O-CG1 3.28Å; I446-I450 WeakPolarHBondContact O-CG1 3.45Å; I446-I450 PolarHBondContact O-N 2.85Å; I447-I450 PolarHBondContact O-N 3.08Å; I450-I452 PolarHBondContact O-N 2.93Å; I450-V453 PolarHBondContact O-N 2.86Å; I450-I454 HydrophobicContact CG2-CD1 3.78Å; I450-I454 HydrophobicContact CG2-CG1 4.43Å; I450-I454 VanDerWaalsContact O-CG1 3.3Å; I450-I454 WeakPolarHBondContact O-CG1 3.5Å; I450-I454 PolarHBondContact O-N 3.01Å
451	A	89	Confident	85.2	Confident	45 Å²	45	85.8 Å²	85.8	37%	0.372	50%	0.496	S	S	.	.	H	α-helix	trans	-61.1	-42.5	178	0	0	0	0	0	112.2	I447 L448 I454 V455	I447-A451 WeakPolarHBondContact O-CB 3.29Å; I447-A451 PolarHBondContact O-N 3.02Å; L448-A451 PolarHBondContact O-N 3.04Å; A451-I454 PolarHBondContact O-N 2.87Å; A451-V455 WeakPolarHBondContact O-CG2 3.33Å; A451-V455 PolarHBondContact O-N 3.42Å
452	I	92.6	Very high	86	Confident	103 Å²	103	84.6 Å²	84.6	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-63.9	-43.9	177	-68.8	164.9	0	0	0	110.9	L448 G449 I450 I454 V455 L456	L448-I452 VanDerWaalsContact O-CG1 3.26Å; L448-I452 WeakPolarHBondContact O-CG1 3.45Å; L448-I452 PolarHBondContact O-N 3.1Å; G449-I452 PolarHBondContact O-N 2.9Å; I450-I452 PolarHBondContact O-N 2.93Å; I452-I454 VanDerWaalsContact C-N 3.33Å; I452-I454 PolarHBondContact O-N 2.72Å; I452-V455 PolarHBondContact O-N 2.8Å; I452-L456 HydrophobicContact CG2-CD1 3.93Å; I452-L456 HydrophobicContact CG2-CG 4.32Å; I452-L456 WeakPolarHBondContact O-CB 3.31Å; I452-L456 WeakPolarHBondContact O-CG 3.26Å; I452-L456 PolarHBondContact O-N 3.24Å
453	V	91.6	Very high	86.3	Confident	96 Å²	96	87 Å²	87	58%	0.582	49%	0.494	S	S	*	.	H	α-helix	trans	-62.3	-41.2	178	172.5	0	0	0	0	111.3	G449 I450 L456 A457	G449-V453 WeakPolarHBondContact O-CG2 3.35Å; G449-V453 PolarHBondContact O-N 2.99Å; G449-V453 VanDerWaalsContact O-N 3.07Å; I450-V453 PolarHBondContact O-N 2.86Å; V453-L456 PolarHBondContact O-N 3.22Å; V453-A457 WeakPolarHBondContact O-CB 3.4Å; V453-A457 PolarHBondContact O-N 3.3Å
454	I	91.4	Very high	86.4	Confident	100 Å²	100	90.3 Å²	90.3	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-62.8	-45.6	175.9	-68.1	167.5	0	0	0	110.6	I450 A451 I452 L456 A457 V458	I450-I454 HydrophobicContact CG2-CD1 3.78Å; I450-I454 HydrophobicContact CG2-CG1 4.43Å; I450-I454 VanDerWaalsContact O-CG1 3.3Å; I450-I454 WeakPolarHBondContact O-CG1 3.5Å; I450-I454 PolarHBondContact O-N 3.01Å; A451-I454 PolarHBondContact O-N 2.87Å; I452-I454 VanDerWaalsContact C-N 3.33Å; I452-I454 PolarHBondContact O-N 2.72Å; I454-L456 PolarHBondContact O-N 2.89Å; I454-A457 PolarHBondContact O-N 2.91Å; I454-V458 HydrophobicContact CG2-CG2 4.47Å; I454-V458 VanDerWaalsContact O-CG2 3.31Å; I454-V458 WeakPolarHBondContact O-CG2 3.43Å; I454-V458 PolarHBondContact O-N 3.42Å
455	V	91.5	Very high	85.9	Confident	83 Å²	83	91.9 Å²	91.9	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-43.7	178.2	171	0	0	0	0	111.1	A451 I452 A457 V458 L459	A451-V455 WeakPolarHBondContact O-CG2 3.33Å; A451-V455 PolarHBondContact O-N 3.42Å; I452-V455 PolarHBondContact O-N 2.8Å; V455-A457 PolarHBondContact O-N 3.24Å; V455-V458 PolarHBondContact O-N 3.22Å; V455-L459 HydrophobicContact CG1-CD1 3.86Å; V455-L459 HydrophobicContact CG1-CG 4.33Å; V455-L459 WeakPolarHBondContact O-CB 3.48Å; V455-L459 VanDerWaalsContact O-CG 3.28Å; V455-L459 WeakPolarHBondContact O-CG 3.39Å; V455-L459 PolarHBondContact O-N 3.23Å
456	L	91	Very high	84.8	Confident	110 Å²	110	96.4 Å²	96.4	58%	0.576	52%	0.524	S	S	*	.	H	α-helix	trans	-65	-38.2	176.9	-70	175.1	0	0	0	112.3	I452 V453 I454 L459 G460	I452-L456 HydrophobicContact CG2-CD1 3.93Å; I452-L456 HydrophobicContact CG2-CG 4.32Å; I452-L456 WeakPolarHBondContact O-CB 3.31Å; I452-L456 WeakPolarHBondContact O-CG 3.26Å; I452-L456 PolarHBondContact O-N 3.24Å; V453-L456 PolarHBondContact O-N 3.22Å; I454-L456 PolarHBondContact O-N 2.89Å; L456-L459 PolarHBondContact O-N 3.04Å; L456-G460 PolarHBondContact O-N 3.46Å
457	A	89.1	Confident	83.5	Confident	63 Å²	63	99.8 Å²	99.8	52%	0.521	53%	0.53	S	S	.	.	H	α-helix	trans	-65.6	-41	175	0	0	0	0	0	111.8	V453 I454 V455 G460 Y461	V453-A457 WeakPolarHBondContact O-CB 3.4Å; V453-A457 PolarHBondContact O-N 3.3Å; I454-A457 PolarHBondContact O-N 2.91Å; V455-A457 PolarHBondContact O-N 3.24Å; A457-G460 PolarHBondContact O-N 3.19Å; A457-Y461 VanDerWaalsContact O-CB 3.26Å; A457-Y461 WeakPolarHBondContact O-CB 3.49Å; A457-Y461 PolarHBondContact O-N 2.87Å
458	V	89.1	Confident	81.9	Confident	80 Å²	80	102.4 Å²	102.4	49%	0.485	54%	0.54	S	S	.	.	H	α-helix	trans	-66.3	-44.5	175.4	171.7	0	0	0	0	111	I454 V455 Y461 C462	I454-V458 HydrophobicContact CG2-CG2 4.47Å; I454-V458 VanDerWaalsContact O-CG2 3.31Å; I454-V458 WeakPolarHBondContact O-CG2 3.43Å; I454-V458 PolarHBondContact O-N 3.42Å; V455-V458 PolarHBondContact O-N 3.22Å; V458-Y461 PolarHBondContact O-N 2.78Å; V458-C462 WeakPolarHBondContact O-CB 3.43Å; V458-C462 PolarHBondContact O-N 3.04Å; V458-C462 PolarHBondContact O-SG 3.32Å
459	L	87.6	Confident	79.9	Confident	106 Å²	106	102.1 Å²	102.1	56%	0.555	54%	0.544	S	S	*	.	H	α-helix	trans	-63.4	-42.2	176.2	-72	172.9	0	0	0	111.6	V455 L456 C462 W463	V455-L459 HydrophobicContact CG1-CD1 3.86Å; V455-L459 HydrophobicContact CG1-CG 4.33Å; V455-L459 WeakPolarHBondContact O-CB 3.48Å; V455-L459 VanDerWaalsContact O-CG 3.28Å; V455-L459 WeakPolarHBondContact O-CG 3.39Å; V455-L459 PolarHBondContact O-N 3.23Å; L456-L459 PolarHBondContact O-N 3.04Å; L459-C462 PolarHBondContact O-N 2.88Å; L459-W463 WeakPolarHBondContact O-CB 3.37Å; L459-W463 PolarHBondContact O-N 3.16Å
460	G	85.8	Confident	77.7	Confident	30 Å²	30	112.4 Å²	112.4	31%	0.309	57%	0.572	S	S	.	*	H	α-helix	trans	-62.6	-43	174.1	0	0	0	0	0	112.5	L456 A457 W463 L464	L456-G460 PolarHBondContact O-N 3.46Å; A457-G460 PolarHBondContact O-N 3.19Å; G460-W463 PolarHBondContact O-N 2.79Å; G460-L464 WeakPolarHBondContact O-CB 3.41Å; G460-L464 WeakPolarHBondContact O-CG 3.06Å; G460-L464 PolarHBondContact O-N 3.03Å
461	Y	84.2	Confident	75.6	Confident	148 Å²	148	115.9 Å²	115.9	58%	0.58	59%	0.586	S	S	*	*	H	α-helix	trans	-64.1	-44.2	175	178.5	-97.5	0	0	0	112.1	A457 V458 W463 L464 K465	A457-Y461 VanDerWaalsContact O-CB 3.26Å; A457-Y461 WeakPolarHBondContact O-CB 3.49Å; A457-Y461 PolarHBondContact O-N 2.87Å; V458-Y461 PolarHBondContact O-N 2.78Å; Y461-W463 VanDerWaalsContact C-N 3.32Å; Y461-W463 PolarHBondContact O-N 2.85Å; Y461-L464 PolarHBondContact O-N 2.78Å; Y461-K465 HydrophobicContact CE1-CD 4.03Å; Y461-K465 VanDerWaalsContact O-CB 3.29Å; Y461-K465 WeakPolarHBondContact O-CB 3.22Å; Y461-K465 PolarHBondContact O-N 2.85Å
462	C	80	Confident	73.6	Confident	67 Å²	67	120.1 Å²	120.1	45%	0.453	61%	0.608	S	S	.	*	H	α-helix	trans	-62	-40	175.2	-75.1	0	0	0	0	111.8	V458 L459 K465 N466	V458-C462 WeakPolarHBondContact O-CB 3.43Å; V458-C462 PolarHBondContact O-N 3.04Å; V458-C462 PolarHBondContact O-SG 3.32Å; L459-C462 PolarHBondContact O-N 2.88Å; C462-K465 PolarHBondContact O-N 3.27Å; C462-N466 PolarHBondContact O-N 3.25Å
463	W	75.8	Confident	71.1	Confident	151 Å²	151	123.7 Å²	123.7	57%	0.572	63%	0.627	S	S	*	*	H	α-helix	trans	-67.3	-40.5	176.6	-169.5	82.9	0	0	0	112.5	L459 G460 Y461 N466 R467	L459-W463 WeakPolarHBondContact O-CB 3.37Å; L459-W463 PolarHBondContact O-N 3.16Å; G460-W463 PolarHBondContact O-N 2.79Å; Y461-W463 VanDerWaalsContact C-N 3.32Å; Y461-W463 PolarHBondContact O-N 2.85Å; W463-N466 PolarHBondContact O-N 2.94Å; W463-R467 VanDerWaalsContact CZ2-CZ 3.44Å
464	L	73.8	Confident	68.7	Low	114 Å²	114	125.2 Å²	125.2	60%	0.597	64%	0.636	S	S	*	*	H	α-helix	trans	-67.4	-39.3	174.3	-79.3	161.7	0	0	0	112.3	G460 Y461 N466 R467	G460-L464 WeakPolarHBondContact O-CB 3.41Å; G460-L464 WeakPolarHBondContact O-CG 3.06Å; G460-L464 PolarHBondContact O-N 3.03Å; Y461-L464 PolarHBondContact O-N 2.78Å; L464-N466 VanDerWaalsContact C-N 3.33Å; L464-N466 PolarHBondContact O-N 3.15Å; L464-R467 PolarHBondContact O-N 3.43Å; L464-R467 VanDerWaalsContact O-N 3.08Å
465	K	67.8	Low	66.1	Low	133 Å²	133	125.9 Å²	125.9	58%	0.578	65%	0.649	S	S	*	*	H	α-helix	trans	-67.4	-32.7	177.6	-168.9	173.1	-178.4	177.1	0	112.3	Y461 C462 R467 Q468	Y461-K465 HydrophobicContact CE1-CD 4.03Å; Y461-K465 VanDerWaalsContact O-CB 3.29Å; Y461-K465 WeakPolarHBondContact O-CB 3.22Å; Y461-K465 PolarHBondContact O-N 2.85Å; C462-K465 PolarHBondContact O-N 3.27Å; K465-R467 PolarHBondContact O-N 2.78Å; K465-Q468 PolarHBondContact O-N 3.16Å
466	N	57.6	Low	63.8	Low	153 Å²	153	128.2 Å²	128.2	82%	0.818	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-3	172.6	-108	6	0	0	0	114.1	C462 W463 L464	C462-N466 PolarHBondContact O-N 3.25Å; W463-N466 PolarHBondContact O-N 2.94Å; L464-N466 VanDerWaalsContact C-N 3.33Å; L464-N466 PolarHBondContact O-N 3.15Å
467	R	58	Low	61.3	Low	171 Å²	171	128.4 Å²	128.4	65%	0.645	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	7.5	175.6	-73.9	-167.4	170.2	-155.5	-3.1	114.7	W463 L464 K465	W463-R467 VanDerWaalsContact CZ2-CZ 3.44Å; L464-R467 PolarHBondContact O-N 3.43Å; L464-R467 VanDerWaalsContact O-N 3.08Å; K465-R467 PolarHBondContact O-N 2.78Å
468	Q	53	Low	59.3	Low	166 Å²	166	130.4 Å²	130.4	78%	0.776	68%	0.684	S	S	*	*			trans	-76.2	125.6	169.9	-90.1	-169.6	-19.8	0	0	111.6	K465	K465-Q468 PolarHBondContact O-N 3.16Å
469	P	48.2	Very low	57	Low	94 Å²	94	135.8 Å²	135.8	61%	0.61	70%	0.701	S	S	*	*			trans	-73.3	136.1	179.9	28.7	-31.9	0	0	0	111.3	H471	P469-H471 PolarHBondContact O-N 3.47Å; P469-H471 VanDerWaalsContact O-N 3.16Å
470	R	43.5	Very low	55.4	Low	251 Å²	251	136.5 Å²	136.5	95%	0.947	71%	0.712	S	S	*	*			trans	-62.6	111.3	166.2	-76.7	178.8	175.4	168.4	-1.5	108.8
471	H	46.6	Very low	53.2	Low	170 Å²	170	146.2 Å²	146.2	79%	0.787	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-78.4	125.4	168.6	-80.4	-86.6	0	0	0	110.6	P469	P469-H471 PolarHBondContact O-N 3.47Å; P469-H471 VanDerWaalsContact O-N 3.16Å
472	T	46.7	Very low	51.6	Low	134 Å²	134	146.2 Å²	146.2	82%	0.822	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-65.9	131.1	167.7	-0.6	0	0	0	0	110.4
473	L	41.4	Very low	50.2	Low	178 Å²	178	150.3 Å²	150.3	93%	0.932	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-89.7	119.6	167.9	-83	161	0	0	0	109.4
474	V	40.8	Very low	48.7	Very low	127 Å²	127	150.3 Å²	150.3	77%	0.77	79%	0.793	S	S	*	*			trans	-111.4	122.6	163.7	175.6	0	0	0	0	107.5
475	S	36.6	Very low	47.3	Very low	114 Å²	114	152.4 Å²	152.4	80%	0.797	81%	0.805	S	S	*	*			trans	-98.9	116.8	172.9	166.2	0	0	0	0	109.1
476	T	42.8	Very low	46	Very low	133 Å²	133	153.6 Å²	153.6	82%	0.816	82%	0.819	S	S	*	*			trans	-88.3	124.4	163.6	44.3	0	0	0	0	109.7
477	S	38.9	Very low	45.2	Very low	113 Å²	113	153.7 Å²	153.7	79%	0.79	82%	0.819	S	S	*	*			trans	-141.5	137.8	153	-168.4	0	0	0	0	110.1
478	S	47.7	Very low	44.3	Very low	105 Å²	105	152.4 Å²	152.4	73%	0.734	83%	0.831	S	S	*	*			trans	-68.6	152	-167.5	43.4	0	0	0	0	115.6
479	K	40.8	Very low	43.6	Very low	193 Å²	193	151.4 Å²	151.4	84%	0.839	84%	0.835	S	S	*	*			trans	-59.8	154	161.4	-82.3	-177.2	171.3	-173.7	0	112.1
480	P	54.1	Low	43.2	Very low	121 Å²	121	156.2 Å²	156.2	79%	0.786	85%	0.854	S	S	*	*				-144.2	125.5	105.8	35.3	-19.3	0	0	0	114
481	L	38.9	Very low	43.2	Very low	235 Å²	235	147.5 Å²	147.5	100%	1.23	85%	0.846	S	S	*	*				-175.2	0	102.9	-136.4	95.7	0	0	0	108.1

Retrieved 481 of 481 residues in 205.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).