A0A087YGU7_POEFO Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YGU7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 167 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	C	35.2	Very low	38.2	Very low	172 Å²	172	134.3 Å²	134.3	100%	1.162	75%	0.754	S	S	*	*				0	146.8	0	-57.4	0	0	0	0	109.3
2	M	35.6	Very low	38.8	Very low	149 Å²	149	131.1 Å²	131.1	73%	0.734	73%	0.734	S	S	*	*			cis	-178	136.2	-29.9	-124.6	168.2	172.5	0	0	108.5
3	F	36.4	Very low	39.2	Very low	166 Å²	166	136.2 Å²	136.2	73%	0.728	74%	0.743	S	S	*	*			trans	64.7	142	174.4	-53.8	-71.9	0	0	0	115.4
4	L	39.5	Very low	39.4	Very low	146 Å²	146	143.1 Å²	143.1	76%	0.764	75%	0.753	S	S	*	*			cis	72.2	137.5	40	-63.3	168.1	0	0	0	112.8
5	N	34.5	Very low	39.4	Very low	145 Å²	145	145.5 Å²	145.5	78%	0.775	76%	0.755	S	S	*	*			cis	-139.7	-148.7	-3.4	-150.7	-3.7	0	0	0	108.4
6	R	36.3	Very low	39.4	Very low	171 Å²	171	150.8 Å²	150.8	65%	0.645	76%	0.762	S	S	*	*			cis	-157.7	132	6.8	-166.7	-145.2	166.2	-112.6	-5.1	109.4	E8	R6-E8 IonicContact CZ-OE1 3.74Å; R6-E8 IonicContact NH1-OE1 3.99Å; R6-E8 PolarHBondContact NH1-OE1 3.36Å; R6-E8 IonicContact NH1-OE2 2.71Å; R6-E8 IonicContact NH2-OE1 2.6Å; R6-E8 PolarHBondContact NH2-OE1 3.31Å
7	T	41.3	Very low	39.4	Very low	80 Å²	80	150.4 Å²	150.4	49%	0.491	75%	0.754	S	S	.	*			trans	57.5	162.6	148.2	49.2	0	0	0	0	122.1
8	E	40.8	Very low	39.4	Very low	135 Å²	135	155.4 Å²	155.4	63%	0.631	76%	0.763	S	S	*	*			cis	-134.9	130.4	-4.3	-109.4	123	-141.7	0	0	105.9	R6	R6-E8 IonicContact CZ-OE1 3.74Å; R6-E8 IonicContact NH1-OE1 3.99Å; R6-E8 PolarHBondContact NH1-OE1 3.36Å; R6-E8 IonicContact NH1-OE2 2.71Å; R6-E8 IonicContact NH2-OE1 2.6Å; R6-E8 PolarHBondContact NH2-OE1 3.31Å
9	L	47.2	Very low	39.9	Very low	170 Å²	170	159.1 Å²	159.1	89%	0.89	77%	0.767	S	S	*	*				53.4	86.8	70.9	-69.2	-177.4	0	0	0	114.9
10	G	35.7	Very low	41.2	Very low	78 Å²	78	158.6 Å²	158.6	80%	0.804	76%	0.757	S	S	*	*			trans	-152.4	40.1	175	0	0	0	0	0	113.5	D12	G10-D12 PolarHBondContact O-N 3.2Å
11	G	37.8	Very low	42.5	Very low	65 Å²	65	158.8 Å²	158.8	67%	0.67	76%	0.757	S	S	*	*			trans	-62.4	129.9	-177.4	0	0	0	0	0	112.8	K13	G11-K13 PolarHBondContact O-N 3.44Å
12	D	45.2	Very low	44.6	Very low	96 Å²	96	151.3 Å²	151.3	51%	0.513	71%	0.706	S	S	.	*			trans	-68.3	91.4	-172.1	-177	13.6	0	0	0	112.9	G10 R14	G10-D12 PolarHBondContact O-N 3.2Å; D12-R14 PolarHBondContact O-N 2.73Å; D12-R14 VanDerWaalsContact OD1-CB 3.29Å; D12-R14 WeakPolarHBondContact OD1-CB 3.47Å; D12-R14 PolarHBondContact OD1-N 2.86Å
13	K	43.6	Very low	46.9	Very low	197 Å²	197	147.2 Å²	147.2	86%	0.857	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-65.4	-14.2	176.6	-67.4	-174.6	178.9	-176.3	0	113.5	G11 K15	G11-K13 PolarHBondContact O-N 3.44Å; K13-K15 VanDerWaalsContact C-N 3.27Å; K13-K15 PolarHBondContact O-N 3.25Å
14	R	43.3	Very low	49.1	Very low	234 Å²	234	145.7 Å²	145.7	88%	0.883	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-74.3	-10.2	-171.3	-66.3	178.6	158.9	168.3	-7.2	114.6	D12	D12-R14 PolarHBondContact O-N 2.73Å; D12-R14 VanDerWaalsContact OD1-CB 3.29Å; D12-R14 WeakPolarHBondContact OD1-CB 3.47Å; D12-R14 PolarHBondContact OD1-N 2.86Å
15	K	38.2	Very low	51.2	Low	178 Å²	178	144.3 Å²	144.3	77%	0.774	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-107.7	13.2	-174.7	-72	-176.6	176.6	175.8	0	116.1	K13	K13-K15 VanDerWaalsContact C-N 3.27Å; K13-K15 PolarHBondContact O-N 3.25Å
16	R	40	Very low	53.5	Low	230 Å²	230	140.3 Å²	140.3	87%	0.868	65%	0.654	S	S	*	*	S	Bend	trans	-131.4	2.4	-179.4	-82.5	-163.7	67.3	137	-1	117.6	W18	R16-W18 PolarHBondContact O-N 2.81Å
17	K	39.7	Very low	55.8	Low	144 Å²	144	136.1 Å²	136.1	63%	0.626	64%	0.641	S	S	*	*			trans	-84.6	103.1	161.3	-158.9	175.2	-175.1	-176.3	0	107	R19 L95	K17-R19 PolarHBondContact O-N 3.08Å; K17-L95 WeakPolarHBondContact CE-O 3.39Å; K17-L95 PolarHBondContact NZ-O 3.28Å
18	W	39.1	Very low	58	Low	241 Å²	241	137.1 Å²	137.1	91%	0.913	64%	0.64	S	S	*	*			trans	-54	131.7	161	-75.7	76.2	0	0	0	106.4	R16 R20	R16-W18 PolarHBondContact O-N 2.81Å; W18-R20 VanDerWaalsContact C-N 3.33Å; W18-R20 PolarHBondContact O-N 2.7Å
19	R	49.2	Very low	60.2	Low	225 Å²	225	136.4 Å²	136.4	85%	0.849	64%	0.637	S	S	*	*			trans	-66.6	100.6	170.1	-81.3	-174.5	163.8	-160.1	-8.7	106.8	K17 E21	K17-R19 PolarHBondContact O-N 3.08Å; R19-E21 PolarHBondContact O-N 2.91Å
20	R	64.9	Low	62.1	Low	149 Å²	149	128.6 Å²	128.6	56%	0.562	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-56.1	123.5	150.9	-84.2	178.6	167.7	157.4	-5	105.1	W18 L95	W18-R20 VanDerWaalsContact C-N 3.33Å; W18-R20 PolarHBondContact O-N 2.7Å; R20-L95 HydrophobicContact CB-CD2 3.71Å; R20-L95 VanDerWaalsContact O-CD1 3.3Å; R20-L95 WeakPolarHBondContact O-CD1 3.38Å; R20-L95 VanDerWaalsContact O-CD2 3.22Å; R20-L95 WeakPolarHBondContact O-CD2 3.25Å
21	E	70.1	Confident	64.7	Low	163 Å²	163	129 Å²	129	76%	0.762	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-93.1	152.7	168.2	-62.5	-176.2	171.1	0	0	106.9	R19	R19-E21 PolarHBondContact O-N 2.91Å
22	L	77.6	Confident	67.2	Low	16 Å²	16	131.4 Å²	131.4	8%	0.084	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-67.7	146.3	176.3	-62.1	-179.2	0	0	0	110.2	Q26 K27 I30 T91 I94 L95	L22-Q26 HydrophobicContact CB-CB 4.03Å; L22-Q26 HydrophobicContact CD2-CB 4.31Å; L22-K27 HydrophobicContact CB-CG 3.99Å; L22-K27 HydrophobicContact CD1-CG 4.35Å; L22-K27 WeakPolarHBondContact O-CE 3.44Å; L22-K27 PolarHBondContact O-NZ 2.76Å; L22-K27 VanDerWaalsContact O-NZ 3.12Å; L22-I30 HydrophobicContact CD1-CD1 3.37Å; L22-T91 HydrophobicContact CD1-CG2 4.04Å; L22-T91 WeakPolarHBondContact CD1-OG1 3.25Å; L22-T91 HydrophobicContact CG-CG2 4.14Å; L22-I94 HydrophobicContact CD2-CB 4.02Å; L22-I94 HydrophobicContact CD2-CD1 4.31Å; L22-I94 HydrophobicContact CD2-CG2 3.61Å; L22-L95 HydrophobicContact CD2-CD2 4.02Å; L22-L95 HydrophobicContact CD2-CG 4.34Å
23	T	84.2	Confident	69.2	Low	63 Å²	63	128.7 Å²	128.7	39%	0.387	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-65	164.6	166.5	64.6	0	0	0	0	110.3	D25 Q26 K27	T23-D25 PolarHBondContact O-N 2.76Å; T23-Q26 PolarHBondContact O-N 3.31Å; T23-Q26 WeakPolarHBondContact OG1-CB 3.38Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.45Å; T23-Q26 PolarHBondContact OG1-N 3.4Å; T23-Q26 VanDerWaalsContact OG1-N 3.11Å; T23-K27 WeakPolarHBondContact O-CG 3.46Å; T23-K27 PolarHBondContact O-N 2.87Å; T23-K27 VanDerWaalsContact O-N 3.11Å
24	E	82.8	Confident	71.4	Confident	134 Å²	134	119.5 Å²	119.5	63%	0.626	52%	0.52	S	S	*	.	H	α-helix	trans	-64.1	-35.1	174.2	-61.8	-53	119.3	0	0	111.2	K27 H28	E24-K27 WeakPolarHBondContact O-CB 3.46Å; E24-K27 PolarHBondContact O-N 3.32Å; E24-K27 IonicContact OE1-NZ 3.75Å; E24-K27 PolarHBondContact OE1-NZ 3Å; E24-H28 PolarHBondContact O-N 2.79Å
25	D	83.6	Confident	73.6	Confident	116 Å²	116	111.2 Å²	111.2	62%	0.62	49%	0.493	S	S	*	.	H	α-helix	trans	-65.8	-42.7	176.7	-45.5	-74.7	0	0	0	111.5	T23 K27 H28 E29	T23-D25 PolarHBondContact O-N 2.76Å; D25-K27 VanDerWaalsContact C-N 3.29Å; D25-K27 PolarHBondContact O-N 3.41Å; D25-H28 CarbonylContact O-C 3.54Å; D25-H28 WeakPolarHBondContact O-CA 3.25Å; D25-H28 WeakPolarHBondContact O-CB 3.48Å; D25-H28 PolarHBondContact O-N 2.74Å; D25-E29 WeakPolarHBondContact O-CG 3.06Å; D25-E29 PolarHBondContact O-N 2.78Å
26	Q	82.9	Confident	76	Confident	61 Å²	61	108.2 Å²	108.2	29%	0.285	49%	0.485	S	S	.	.	H	α-helix	trans	-62.4	-34.8	172.9	-76	170.5	-8.2	0	0	112.6	L22 T23 H28 I30	L22-Q26 HydrophobicContact CB-CB 4.03Å; L22-Q26 HydrophobicContact CD2-CB 4.31Å; T23-Q26 PolarHBondContact O-N 3.31Å; T23-Q26 WeakPolarHBondContact OG1-CB 3.38Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.45Å; T23-Q26 PolarHBondContact OG1-N 3.4Å; T23-Q26 VanDerWaalsContact OG1-N 3.11Å; Q26-H28 VanDerWaalsContact C-N 3.33Å; Q26-I30 VanDerWaalsContact O-CG1 3.22Å; Q26-I30 WeakPolarHBondContact O-CG1 3.37Å; Q26-I30 PolarHBondContact O-N 3.43Å; Q26-I30 VanDerWaalsContact O-N 3.08Å
27	K	85.3	Confident	78.3	Confident	83 Å²	83	98.6 Å²	98.6	36%	0.361	45%	0.449	S	S	.	.	H	α-helix	trans	-69.3	-34.8	172.7	-65.5	164.1	-161.1	162.7	0	111.2	L22 T23 E24 D25 K31	L22-K27 HydrophobicContact CB-CG 3.99Å; L22-K27 HydrophobicContact CD1-CG 4.35Å; L22-K27 WeakPolarHBondContact O-CE 3.44Å; L22-K27 PolarHBondContact O-NZ 2.76Å; L22-K27 VanDerWaalsContact O-NZ 3.12Å; T23-K27 WeakPolarHBondContact O-CG 3.46Å; T23-K27 PolarHBondContact O-N 2.87Å; T23-K27 VanDerWaalsContact O-N 3.11Å; E24-K27 WeakPolarHBondContact O-CB 3.46Å; E24-K27 PolarHBondContact O-N 3.32Å; E24-K27 IonicContact OE1-NZ 3.75Å; E24-K27 PolarHBondContact OE1-NZ 3Å; D25-K27 VanDerWaalsContact C-N 3.29Å; D25-K27 PolarHBondContact O-N 3.41Å; K27-K31 WeakPolarHBondContact O-CB 3.4Å; K27-K31 PolarHBondContact O-N 3.06Å; K27-K31 VanDerWaalsContact O-N 3.15Å
28	H	87.4	Confident	80.7	Confident	102 Å²	102	92.1 Å²	92.1	47%	0.472	42%	0.421	S	S	.	.	H	α-helix	trans	-67.9	-48.6	175.3	-163.1	-112.1	0	0	0	111.2	E24 D25 Q26 I30 K31 E32	E24-H28 PolarHBondContact O-N 2.79Å; D25-H28 CarbonylContact O-C 3.54Å; D25-H28 WeakPolarHBondContact O-CA 3.25Å; D25-H28 WeakPolarHBondContact O-CB 3.48Å; D25-H28 PolarHBondContact O-N 2.74Å; Q26-H28 VanDerWaalsContact C-N 3.33Å; H28-I30 VanDerWaalsContact C-N 3.35Å; H28-I30 PolarHBondContact O-N 2.69Å; H28-K31 CarbonylContact O-C 3.59Å; H28-K31 WeakPolarHBondContact O-CA 3.3Å; H28-K31 WeakPolarHBondContact O-CB 3.3Å; H28-K31 PolarHBondContact O-N 3.22Å; H28-E32 IonicContact CE1-OE1 2.7Å; H28-E32 PolarHBondContact CE1-OE1 3.49Å; H28-E32 IonicContact CE1-OE2 3.81Å; H28-E32 IonicContact ND1-OE1 2.62Å; H28-E32 IonicContact ND1-OE2 3.18Å; H28-E32 PolarHBondContact O-N 3.01Å
29	E	87.3	Confident	83	Confident	120 Å²	120	85.1 Å²	85.1	56%	0.561	41%	0.405	S	S	*	.	H	α-helix	trans	-55.1	-45.3	173.9	-73.1	179.8	169.3	0	0	112.2	D25 K31 E32 A33	D25-E29 WeakPolarHBondContact O-CG 3.06Å; D25-E29 PolarHBondContact O-N 2.78Å; E29-K31 VanDerWaalsContact C-N 3.26Å; E29-K31 PolarHBondContact O-N 3.32Å; E29-E32 PolarHBondContact O-N 2.81Å; E29-A33 WeakPolarHBondContact O-CB 3.34Å; E29-A33 PolarHBondContact O-N 2.89Å
30	I	86.3	Confident	85	Confident	6 Å²	6	79.8 Å²	79.8	3%	0.031	39%	0.394	C	S	.	.	H	α-helix	trans	-59.1	-40	174.8	-72.1	170.8	0	0	0	110.9	L22 Q26 H28 F34 F83 F86 V90 I94	L22-I30 HydrophobicContact CD1-CD1 3.37Å; Q26-I30 VanDerWaalsContact O-CG1 3.22Å; Q26-I30 WeakPolarHBondContact O-CG1 3.37Å; Q26-I30 PolarHBondContact O-N 3.43Å; Q26-I30 VanDerWaalsContact O-N 3.08Å; H28-I30 VanDerWaalsContact C-N 3.35Å; H28-I30 PolarHBondContact O-N 2.69Å; I30-F34 WeakPolarHBondContact O-CB 3.42Å; I30-F34 PolarHBondContact O-N 3.17Å; I30-F83 HydrophobicContact CG2-CE2 4.28Å; I30-F86 HydrophobicContact CG2-CD1 4.14Å; I30-F86 HydrophobicContact CG2-CE1 4.13Å; I30-V90 HydrophobicContact CD1-CB 4.38Å; I30-V90 HydrophobicContact CD1-CG1 4.06Å; I30-V90 HydrophobicContact CG1-CB 4.29Å; I30-V90 HydrophobicContact CG1-CG1 3.72Å; I30-I94 HydrophobicContact CD1-CD1 4.02Å; I30-I94 HydrophobicContact CG1-CD1 4.25Å
31	K	89.3	Confident	86.3	Confident	87 Å²	87	79.2 Å²	79.2	38%	0.378	40%	0.395	S	S	.	.	H	α-helix	trans	-73.3	-42.9	180	-162.4	-147	171.1	-63.5	0	112.3	K27 H28 E29 A33 F34 D35 F83	K27-K31 WeakPolarHBondContact O-CB 3.4Å; K27-K31 PolarHBondContact O-N 3.06Å; K27-K31 VanDerWaalsContact O-N 3.15Å; H28-K31 CarbonylContact O-C 3.59Å; H28-K31 WeakPolarHBondContact O-CA 3.3Å; H28-K31 WeakPolarHBondContact O-CB 3.3Å; H28-K31 PolarHBondContact O-N 3.22Å; E29-K31 VanDerWaalsContact C-N 3.26Å; E29-K31 PolarHBondContact O-N 3.32Å; K31-A33 VanDerWaalsContact C-N 3.32Å; K31-F34 PolarHBondContact O-N 3.08Å; K31-D35 IonicContact NZ-OD1 2.8Å; K31-D35 PolarHBondContact NZ-OD1 2.79Å; K31-D35 IonicContact NZ-OD2 2.72Å; K31-D35 PolarHBondContact NZ-OD2 2.93Å; K31-D35 WeakPolarHBondContact O-CB 3.37Å; K31-D35 PolarHBondContact O-N 3.46Å; K31-F83 HydrophobicContact CB-CE2 4.38Å; K31-F83 HydrophobicContact CG-CE2 4.26Å
32	E	90.3	Very high	87.3	Confident	115 Å²	115	75.1 Å²	75.1	54%	0.537	38%	0.379	S	S	.	.	H	α-helix	trans	-65.6	-37.1	175.4	-70	-170.4	135.5	0	0	111.6	H28 E29 L36	H28-E32 IonicContact CE1-OE1 2.7Å; H28-E32 PolarHBondContact CE1-OE1 3.49Å; H28-E32 IonicContact CE1-OE2 3.81Å; H28-E32 IonicContact ND1-OE1 2.62Å; H28-E32 IonicContact ND1-OE2 3.18Å; H28-E32 PolarHBondContact O-N 3.01Å; E29-E32 PolarHBondContact O-N 2.81Å; E32-L36 PolarHBondContact O-N 2.83Å
33	A	88.5	Confident	87.9	Confident	38 Å²	38	81.6 Å²	81.6	31%	0.314	41%	0.406	S	S	.	.	H	α-helix	trans	-61.9	-45.9	170.3	0	0	0	0	0	111.2	E29 K31 L36 F37 F86	E29-A33 WeakPolarHBondContact O-CB 3.34Å; E29-A33 PolarHBondContact O-N 2.89Å; K31-A33 VanDerWaalsContact C-N 3.32Å; A33-L36 WeakPolarHBondContact O-CB 3.49Å; A33-L36 PolarHBondContact O-N 2.61Å; A33-F37 WeakPolarHBondContact O-CD2 3.39Å; A33-F86 HydrophobicContact CB-CE1 4.45Å; A33-F86 HydrophobicContact CB-CZ 4.28Å
34	F	89.9	Confident	88.3	Confident	4 Å²	4	81.9 Å²	81.9	2%	0.018	40%	0.403	C	S	.	.	H	α-helix	trans	-62.1	-46.7	176.5	-172.9	-87.1	0	0	0	112.4	I30 K31 L36 F37 D38 K43 I45 F83 F86	I30-F34 WeakPolarHBondContact O-CB 3.42Å; I30-F34 PolarHBondContact O-N 3.17Å; K31-F34 PolarHBondContact O-N 3.08Å; F34-L36 PolarHBondContact O-N 3.06Å; F34-L36 VanDerWaalsContact O-N 3.07Å; F34-F37 WeakPolarHBondContact O-CA 3.45Å; F34-F37 PolarHBondContact O-N 2.96Å; F34-D38 HydrophobicContact CD1-CB 3.95Å; F34-D38 HydrophobicContact CE1-CB 3.57Å; F34-D38 HydrophobicContact CZ-CB 4.31Å; F34-D38 PolarHBondContact O-N 3.26Å; F34-K43 WeakPolarHBondContact CZ-O 3.16Å; F34-I45 HydrophobicContact CD2-CD1 3.59Å; F34-I45 HydrophobicContact CD2-CG1 4.17Å; F34-I45 HydrophobicContact CE2-CD1 3.41Å; F34-I45 VanDerWaalsContact CE2-CD1 3.41Å; F34-I45 HydrophobicContact CE2-CG1 3.59Å; F34-I45 HydrophobicContact CG-CD1 4.45Å; F34-I45 HydrophobicContact CZ-CD1 4.15Å; F34-I45 HydrophobicContact CZ-CG1 3.81Å; F34-F83 HydrophobicContact CB-CD2 3.96Å; F34-F83 HydrophobicContact CB-CE2 4.2Å; F34-F83 AromaticContact CD1-CD2 3.95Å; F34-F83 HydrophobicContact CD1-CD2 3.95Å; F34-F83 HydrophobicContact CD2-CB 4.41Å; F34-F83 AromaticContact CD2-CD2 3.86Å; F34-F83 HydrophobicContact CD2-CD2 3.86Å; F34-F83 HydrophobicContact CE1-CB 4.2Å; F34-F83 HydrophobicContact CE1-CD2 4.44Å; F34-F83 VanDerWaalsContact CE2-CA 3.47Å; F34-F83 HydrophobicContact CE2-CB 4.05Å; F34-F83 HydrophobicContact CE2-CD2 4.36Å; F34-F83 AromaticContact CG-CD2 3.64Å; F34-F83 HydrophobicContact CG-CD2 3.64Å; F34-F83 HydrophobicContact CG-CE2 4.37Å; F34-F83 HydrophobicContact CZ-CB 3.95Å; F34-F86 HydrophobicContact CB-CD1 4.1Å; F34-F86 HydrophobicContact CB-CE1 4.02Å; F34-F86 HydrophobicContact CD2-CB 3.78Å; F34-F86 AromaticContact CD2-CD1 3.77Å; F34-F86 HydrophobicContact CD2-CD1 3.77Å; F34-F86 HydrophobicContact CD2-CD2 4.27Å; F34-F86 HydrophobicContact CD2-CE1 4.38Å; F34-F86 AromaticContact CD2-CG 3.7Å; F34-F86 HydrophobicContact CD2-CG 3.7Å; F34-F86 HydrophobicContact CE2-CB 4.03Å; F34-F86 HydrophobicContact CE2-CG 4.38Å; F34-F86 HydrophobicContact CG-CD1 4.43Å
35	D	89.7	Confident	88.8	Confident	60 Å²	60	75.6 Å²	75.6	32%	0.321	37%	0.374	S	S	.	.	H	α-helix	trans	-62.1	-12.1	176.6	-80	32.3	0	0	0	113.8	K31	K31-D35 IonicContact NZ-OD1 2.8Å; K31-D35 PolarHBondContact NZ-OD1 2.79Å; K31-D35 IonicContact NZ-OD2 2.72Å; K31-D35 PolarHBondContact NZ-OD2 2.93Å; K31-D35 WeakPolarHBondContact O-CB 3.37Å; K31-D35 PolarHBondContact O-N 3.46Å
36	L	87.3	Confident	89.3	Confident	115 Å²	115	72.1 Å²	72.1	60%	0.602	36%	0.355	S	S	*	.	H	α-helix	trans	-87.9	-23.1	171.6	-174.9	65.8	0	0	0	112.6	E32 A33 F34	E32-L36 PolarHBondContact O-N 2.83Å; A33-L36 WeakPolarHBondContact O-CB 3.49Å; A33-L36 PolarHBondContact O-N 2.61Å; F34-L36 PolarHBondContact O-N 3.06Å; F34-L36 VanDerWaalsContact O-N 3.07Å
37	F	88.4	Confident	89.7	Confident	29 Å²	29	71 Å²	71	13%	0.127	35%	0.348	C	S	.	.	H	α-helix	trans	-88.8	-46.7	171.6	-66.4	-82.2	0	0	0	111.7	A33 F34 T39 I45 E49 L50 A53 L57 F86	A33-F37 WeakPolarHBondContact O-CD2 3.39Å; F34-F37 WeakPolarHBondContact O-CA 3.45Å; F34-F37 PolarHBondContact O-N 2.96Å; F37-T39 PolarHBondContact O-N 2.8Å; F37-T39 VanDerWaalsContact O-N 3.14Å; F37-I45 HydrophobicContact CB-CD1 3.46Å; F37-I45 VanDerWaalsContact CB-CD1 3.46Å; F37-I45 HydrophobicContact CB-CG1 3.71Å; F37-I45 HydrophobicContact CB-CG2 4.02Å; F37-I45 HydrophobicContact CD2-CD1 4.29Å; F37-I45 HydrophobicContact CG-CD1 3.97Å; F37-E49 WeakPolarHBondContact O-CB 3.42Å; F37-L50 HydrophobicContact CD1-CD1 4.3Å; F37-L50 HydrophobicContact CE1-CD1 4.22Å; F37-A53 HydrophobicContact CD1-CB 3.22Å; F37-A53 HydrophobicContact CE1-CB 3.44Å; F37-A53 VanDerWaalsContact CE1-CB 3.44Å; F37-A53 HydrophobicContact CG-CB 4.14Å; F37-A53 HydrophobicContact CZ-CB 4.49Å; F37-L57 HydrophobicContact CZ-CD1 4.48Å; F37-F86 HydrophobicContact CD2-CE2 4.13Å; F37-F86 HydrophobicContact CD2-CZ 4.27Å; F37-F86 HydrophobicContact CE2-CE2 4.08Å; F37-F86 HydrophobicContact CE2-CZ 4.14Å
38	D	91.6	Very high	90.1	Very high	7 Å²	7	72.5 Å²	72.5	4%	0.037	36%	0.357	C	S	.	.			trans	-73.9	95.2	177.4	176.5	10.2	0	0	0	110.3	F34 K41 D42 K43	F34-D38 HydrophobicContact CD1-CB 3.95Å; F34-D38 HydrophobicContact CE1-CB 3.57Å; F34-D38 HydrophobicContact CZ-CB 4.31Å; F34-D38 PolarHBondContact O-N 3.26Å; D38-K41 WeakPolarHBondContact OD1-CA 3.13Å; D38-K41 PolarHBondContact OD1-N 2.92Å; D38-D42 PolarHBondContact OD1-N 3.43Å; D38-K43 VanDerWaalsContact OD2-CA 3.27Å; D38-K43 WeakPolarHBondContact OD2-CA 3.43Å; D38-K43 PolarHBondContact OD2-N 3.36Å; D38-K43 VanDerWaalsContact OD2-N 3.1Å
39	T	87.4	Confident	90.3	Very high	94 Å²	94	68.3 Å²	68.3	58%	0.577	34%	0.337	S	S	*	.	S	Bend	trans	-91.1	-29.8	-171.8	61.3	0	0	0	0	113.8	F37 E49	F37-T39 PolarHBondContact O-N 2.8Å; F37-T39 VanDerWaalsContact O-N 3.14Å; T39-E49 WeakPolarHBondContact CA-OE1 3.4Å; T39-E49 PolarHBondContact N-OE1 2.76Å; T39-E49 PolarHBondContact OG1-OE1 3.22Å
40	D	91	Very high	90.5	Very high	113 Å²	113	63.2 Å²	63.2	60%	0.604	31%	0.314	S	S	*	.	S	Bend	trans	-96	-11.9	177.5	81.8	12.8	0	0	0	114.2	D42 E49	D40-D42 WeakPolarHBondContact OD1-CB 3.33Å; D40-D42 PolarHBondContact OD1-N 2.86Å; D40-D42 VanDerWaalsContact OD1-N 3.12Å; D40-E49 PolarHBondContact N-OE1 2.85Å
41	K	90.6	Very high	90.7	Very high	138 Å²	138	65.9 Å²	65.9	60%	0.6	33%	0.325	S	S	*	.			trans	75.6	30.6	174.5	-49	-160.1	175.9	-129.1	0	114.5	D38 K43	D38-K41 WeakPolarHBondContact OD1-CA 3.13Å; D38-K41 PolarHBondContact OD1-N 2.92Å; K41-K43 VanDerWaalsContact C-N 3.29Å
42	D	92.4	Very high	90.7	Very high	76 Å²	76	66 Å²	66	41%	0.406	33%	0.333	S	S	.	.	S	Bend	trans	-79.1	-6.1	171.3	90.9	11.5	0	0	0	115	D38 D40 E44 K80	D38-D42 PolarHBondContact OD1-N 3.43Å; D40-D42 WeakPolarHBondContact OD1-CB 3.33Å; D40-D42 PolarHBondContact OD1-N 2.86Å; D40-D42 VanDerWaalsContact OD1-N 3.12Å; D42-E44 WeakPolarHBondContact OD1-CB 3.28Å; D42-E44 PolarHBondContact OD1-N 2.8Å; D42-E44 VanDerWaalsContact OD1-N 3.12Å; D42-K80 IonicContact OD1-NZ 2.73Å; D42-K80 PolarHBondContact OD1-NZ 2.89Å; D42-K80 IonicContact OD2-NZ 3.73Å; D42-K80 PolarHBondContact OD2-NZ 3.23Å
43	K	90.6	Very high	90.6	Very high	152 Å²	152	61 Å²	61	66%	0.661	31%	0.311	S	S	*	.	S	Bend	trans	75.5	15.4	179	-50.9	-179.7	175.8	-174.8	0	116.1	F34 D38 K41 F83	F34-K43 WeakPolarHBondContact CZ-O 3.16Å; D38-K43 VanDerWaalsContact OD2-CA 3.27Å; D38-K43 WeakPolarHBondContact OD2-CA 3.43Å; D38-K43 PolarHBondContact OD2-N 3.36Å; D38-K43 VanDerWaalsContact OD2-N 3.1Å; K41-K43 VanDerWaalsContact C-N 3.29Å; K43-F83 PolarHBondContact O-N 2.99Å
44	E	92.7	Very high	90.5	Very high	69 Å²	69	60.9 Å²	60.9	32%	0.322	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.1	173	-42.4	174.5	126.3	0	0	107.8	D42 K80 I81	D42-E44 WeakPolarHBondContact OD1-CB 3.28Å; D42-E44 PolarHBondContact OD1-N 2.8Å; D42-E44 VanDerWaalsContact OD1-N 3.12Å; E44-K80 HydrophobicContact CB-CB 4.07Å; E44-K80 HydrophobicContact CB-CD 3.69Å; E44-K80 HydrophobicContact CB-CG 4.43Å; E44-K80 HydrophobicContact CG-CD 4.35Å; E44-K80 WeakPolarHBondContact OE2-CD 3.21Å; E44-K80 WeakPolarHBondContact OE2-CE 3.31Å; E44-K80 IonicContact OE2-NZ 3.8Å; E44-K80 PolarHBondContact OE2-NZ 2.69Å; E44-I81 CarbonylContact C-O 3.52Å; E44-I81 WeakPolarHBondContact CA-O 3.42Å
45	I	92.4	Very high	90.3	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.015	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.7	178	-58.9	164.5	0	0	0	109.1	F34 F37 E49 L50 K80 I81 F86	F34-I45 HydrophobicContact CD2-CD1 3.59Å; F34-I45 HydrophobicContact CD2-CG1 4.17Å; F34-I45 HydrophobicContact CE2-CD1 3.41Å; F34-I45 VanDerWaalsContact CE2-CD1 3.41Å; F34-I45 HydrophobicContact CE2-CG1 3.59Å; F34-I45 HydrophobicContact CG-CD1 4.45Å; F34-I45 HydrophobicContact CZ-CD1 4.15Å; F34-I45 HydrophobicContact CZ-CG1 3.81Å; F37-I45 HydrophobicContact CB-CD1 3.46Å; F37-I45 VanDerWaalsContact CB-CD1 3.46Å; F37-I45 HydrophobicContact CB-CG1 3.71Å; F37-I45 HydrophobicContact CB-CG2 4.02Å; F37-I45 HydrophobicContact CD2-CD1 4.29Å; F37-I45 HydrophobicContact CG-CD1 3.97Å; I45-E49 HydrophobicContact CG2-CB 4.11Å; I45-L50 HydrophobicContact CG2-CB 3.83Å; I45-K80 WeakPolarHBondContact O-CA 3.49Å; I45-I81 HydrophobicContact CB-CB 4.45Å; I45-I81 PolarHBondContact N-O 2.83Å; I45-I81 PolarHBondContact O-N 3.26Å; I45-F86 HydrophobicContact CD1-CD2 4.06Å; I45-F86 HydrophobicContact CD1-CE2 4.43Å
46	D	93.1	Very high	90	Very high	42 Å²	42	68.6 Å²	68.6	23%	0.225	35%	0.348	C	S	.	.			trans	-84.9	171	176.9	128.5	-65.4	0	0	0	114.1	H48 E49 L50 K80	D46-H48 VanDerWaalsContact C-N 3.32Å; D46-H48 VanDerWaalsContact CG-N 3.34Å; D46-H48 PolarHBondContact O-N 3.36Å; D46-H48 VanDerWaalsContact OD1-CA 3.23Å; D46-H48 WeakPolarHBondContact OD1-CA 3.48Å; D46-H48 WeakPolarHBondContact OD1-CB 3.31Å; D46-H48 IonicContact OD1-CG 3.07Å; D46-H48 PolarHBondContact OD1-N 3.09Å; D46-H48 IonicContact OD1-ND1 2.95Å; D46-H48 PolarHBondContact OD1-ND1 3.07Å; D46-H48 IonicContact OD2-CE1 2.72Å; D46-H48 IonicContact OD2-CG 2.7Å; D46-H48 PolarHBondContact OD2-N 2.85Å; D46-H48 IonicContact OD2-ND1 2.72Å; D46-H48 PolarHBondContact OD2-ND1 3.34Å; D46-E49 PolarHBondContact N-OE2 2.72Å; D46-E49 PolarHBondContact O-N 3.11Å; D46-E49 PolarHBondContact OD1-N 2.67Å; D46-L50 WeakPolarHBondContact O-CB 3.38Å; D46-L50 PolarHBondContact O-N 2.86Å; D46-K80 HydrophobicContact CB-CG 4.4Å
47	Y	92.9	Very high	89.6	Confident	37 Å²	37	67.8 Å²	67.8	15%	0.145	34%	0.344	C	S	.	.	H	α-helix	trans	-59.9	-34.8	177	166.1	-92.1	0	0	0	114.4	K51 K63 V66 L67 L70	Y47-K51 HydrophobicContact CE1-CD 4.19Å; Y47-K51 WeakPolarHBondContact O-CB 3.34Å; Y47-K51 PolarHBondContact O-N 3.47Å; Y47-K63 HydrophobicContact CE2-CG 4.05Å; Y47-K63 WeakPolarHBondContact OH-CB 3.44Å; Y47-K63 VanDerWaalsContact OH-CG 3.3Å; Y47-K63 WeakPolarHBondContact OH-CG 3.41Å; Y47-V66 HydrophobicContact CD2-CB 4.17Å; Y47-V66 HydrophobicContact CD2-CG1 3.55Å; Y47-V66 HydrophobicContact CE2-CB 3.89Å; Y47-V66 HydrophobicContact CE2-CG1 3.75Å; Y47-V66 HydrophobicContact CG-CG1 4.44Å; Y47-L67 HydrophobicContact CD2-CD2 3.9Å; Y47-L67 HydrophobicContact CD2-CG 4.21Å; Y47-L67 HydrophobicContact CE2-CD2 4.24Å; Y47-L67 HydrophobicContact CE2-CG 4.09Å; Y47-L70 HydrophobicContact CD2-CD1 4.13Å; Y47-L70 HydrophobicContact CG-CD1 4.46Å
48	H	92.4	Very high	89.2	Confident	116 Å²	116	69.6 Å²	69.6	54%	0.537	37%	0.37	S	S	.	.	H	α-helix	trans	-76.3	-43.4	178.2	-52.2	86	0	0	0	110.5	D46 K51 V52	D46-H48 VanDerWaalsContact C-N 3.32Å; D46-H48 VanDerWaalsContact CG-N 3.34Å; D46-H48 PolarHBondContact O-N 3.36Å; D46-H48 VanDerWaalsContact OD1-CA 3.23Å; D46-H48 WeakPolarHBondContact OD1-CA 3.48Å; D46-H48 WeakPolarHBondContact OD1-CB 3.31Å; D46-H48 IonicContact OD1-CG 3.07Å; D46-H48 PolarHBondContact OD1-N 3.09Å; D46-H48 IonicContact OD1-ND1 2.95Å; D46-H48 PolarHBondContact OD1-ND1 3.07Å; D46-H48 IonicContact OD2-CE1 2.72Å; D46-H48 IonicContact OD2-CG 2.7Å; D46-H48 PolarHBondContact OD2-N 2.85Å; D46-H48 IonicContact OD2-ND1 2.72Å; D46-H48 PolarHBondContact OD2-ND1 3.34Å; H48-K51 CarbonylContact O-C 3.53Å; H48-K51 WeakPolarHBondContact O-CB 3.49Å; H48-K51 PolarHBondContact O-N 2.76Å; H48-V52 WeakPolarHBondContact O-CB 3.46Å; H48-V52 VanDerWaalsContact O-CG2 3.23Å; H48-V52 WeakPolarHBondContact O-CG2 3.42Å; H48-V52 PolarHBondContact O-N 3.31Å
49	E	93.2	Very high	88.6	Confident	14 Å²	14	75.4 Å²	75.4	7%	0.065	40%	0.396	C	S	.	.	H	α-helix	trans	-62	-55.5	179.1	-71.4	-174.9	125.9	0	0	112.6	F37 T39 D40 I45 D46 K51 V52 A53	F37-E49 WeakPolarHBondContact O-CB 3.42Å; T39-E49 WeakPolarHBondContact CA-OE1 3.4Å; T39-E49 PolarHBondContact N-OE1 2.76Å; T39-E49 PolarHBondContact OG1-OE1 3.22Å; D40-E49 PolarHBondContact N-OE1 2.85Å; I45-E49 HydrophobicContact CG2-CB 4.11Å; D46-E49 PolarHBondContact N-OE2 2.72Å; D46-E49 PolarHBondContact O-N 3.11Å; D46-E49 PolarHBondContact OD1-N 2.67Å; E49-K51 PolarHBondContact O-N 3.08Å; E49-V52 PolarHBondContact O-N 3.16Å; E49-A53 WeakPolarHBondContact O-CB 3.26Å; E49-A53 PolarHBondContact O-N 2.72Å
50	L	90.4	Very high	88.4	Confident	13 Å²	13	79.3 Å²	79.3	7%	0.068	41%	0.407	C	S	.	.	H	α-helix	trans	-52	-42.8	173.9	177.7	59.8	0	0	0	111.2	F37 I45 D46 M54 V66 I69 L70	F37-L50 HydrophobicContact CD1-CD1 4.3Å; F37-L50 HydrophobicContact CE1-CD1 4.22Å; I45-L50 HydrophobicContact CG2-CB 3.83Å; D46-L50 WeakPolarHBondContact O-CB 3.38Å; D46-L50 PolarHBondContact O-N 2.86Å; L50-M54 HydrophobicContact CD1-CG 4.21Å; L50-M54 HydrophobicContact CD1-SD 3.99Å; L50-M54 HydrophobicContact CG-SD 4.15Å; L50-M54 WeakPolarHBondContact O-CB 3.2Å; L50-M54 WeakPolarHBondContact O-CG 3.39Å; L50-M54 PolarHBondContact O-N 2.72Å; L50-V66 HydrophobicContact CB-CG1 4.36Å; L50-V66 HydrophobicContact CD2-CG1 3.84Å; L50-V66 HydrophobicContact CG-CG1 4.09Å; L50-I69 HydrophobicContact CD1-CG2 4.47Å; L50-I69 HydrophobicContact CD2-CB 4.15Å; L50-I69 HydrophobicContact CD2-CG2 3.68Å; L50-L70 HydrophobicContact CD2-CD2 3.9Å; L50-L70 HydrophobicContact CD2-CG 4.01Å
51	K	89.9	Confident	88.2	Confident	61 Å²	61	74.6 Å²	74.6	27%	0.265	38%	0.382	S	S	.	.	H	α-helix	trans	-70.6	-33.5	178.7	179.7	-173.2	168.3	-154.4	0	113.5	Y47 H48 E49 R55 V61 V66	Y47-K51 HydrophobicContact CE1-CD 4.19Å; Y47-K51 WeakPolarHBondContact O-CB 3.34Å; Y47-K51 PolarHBondContact O-N 3.47Å; H48-K51 CarbonylContact O-C 3.53Å; H48-K51 WeakPolarHBondContact O-CB 3.49Å; H48-K51 PolarHBondContact O-N 2.76Å; E49-K51 PolarHBondContact O-N 3.08Å; K51-R55 WeakPolarHBondContact O-CD 3.47Å; K51-R55 VanDerWaalsContact O-CG 3.28Å; K51-R55 WeakPolarHBondContact O-CG 3.41Å; K51-R55 PolarHBondContact O-N 2.95Å; K51-V61 HydrophobicContact CG-CG2 4.09Å; K51-V66 HydrophobicContact CB-CG1 4.24Å; K51-V66 HydrophobicContact CB-CG2 4.11Å; K51-V66 HydrophobicContact CG-CG2 4.33Å
52	V	90.8	Very high	88.2	Confident	90 Å²	90	74.7 Å²	74.7	55%	0.545	38%	0.383	S	S	.	.	H	α-helix	trans	-73	-48.9	177.6	163	0	0	0	0	109.6	H48 E49 R55 A56	H48-V52 WeakPolarHBondContact O-CB 3.46Å; H48-V52 VanDerWaalsContact O-CG2 3.23Å; H48-V52 WeakPolarHBondContact O-CG2 3.42Å; H48-V52 PolarHBondContact O-N 3.31Å; E49-V52 PolarHBondContact O-N 3.16Å; V52-R55 CarbonylContact O-C 3.55Å; V52-R55 WeakPolarHBondContact O-CA 3.43Å; V52-R55 WeakPolarHBondContact O-CB 3.24Å; V52-R55 PolarHBondContact O-N 2.9Å; V52-R55 VanDerWaalsContact O-N 3.1Å; V52-A56 PolarHBondContact O-N 3.09Å
53	A	87.5	Confident	88.1	Confident	10 Å²	10	77.5 Å²	77.5	8%	0.083	39%	0.391	C	S	.	.	H	α-helix	trans	-62.1	-45.7	177.9	0	0	0	0	0	112.2	F37 E49 R55 A56 L57	F37-A53 HydrophobicContact CD1-CB 3.22Å; F37-A53 HydrophobicContact CE1-CB 3.44Å; F37-A53 VanDerWaalsContact CE1-CB 3.44Å; F37-A53 HydrophobicContact CG-CB 4.14Å; F37-A53 HydrophobicContact CZ-CB 4.49Å; E49-A53 WeakPolarHBondContact O-CB 3.26Å; E49-A53 PolarHBondContact O-N 2.72Å; A53-R55 PolarHBondContact O-N 2.79Å; A53-A56 WeakPolarHBondContact O-CB 3.3Å; A53-A56 PolarHBondContact O-N 3.45Å; A53-L57 WeakPolarHBondContact O-CG 3.36Å; A53-L57 PolarHBondContact O-N 2.98Å
54	M	85.7	Confident	88.1	Confident	36 Å²	36	75.2 Å²	75.2	18%	0.177	39%	0.39	C	S	.	.	H	α-helix	trans	-58.8	-31.5	174.1	-71.6	-179.3	90.4	0	0	112.7	L50 F59 V61 I69	L50-M54 HydrophobicContact CD1-CG 4.21Å; L50-M54 HydrophobicContact CD1-SD 3.99Å; L50-M54 HydrophobicContact CG-SD 4.15Å; L50-M54 WeakPolarHBondContact O-CB 3.2Å; L50-M54 WeakPolarHBondContact O-CG 3.39Å; L50-M54 PolarHBondContact O-N 2.72Å; M54-F59 WeakPolarHBondContact O-CB 3.5Å; M54-F59 PolarHBondContact O-N 3.01Å; M54-V61 HydrophobicContact CB-CG1 3.84Å; M54-V61 HydrophobicContact CB-CG2 4.23Å; M54-V61 HydrophobicContact CE-CG1 3.62Å; M54-V61 HydrophobicContact CG-CG1 4.44Å; M54-V61 HydrophobicContact SD-CG1 3.87Å; M54-I69 HydrophobicContact CE-CD1 3.63Å; M54-I69 HydrophobicContact SD-CD1 3.88Å
55	R	85.6	Confident	87.9	Confident	139 Å²	139	75.2 Å²	75.2	53%	0.525	39%	0.392	S	S	.	.	H	α-helix	trans	-77.4	-34.4	173.7	-76.3	174.6	165.1	-134	-12.4	113.3	K51 V52 A53 L57 G58 V61	K51-R55 WeakPolarHBondContact O-CD 3.47Å; K51-R55 VanDerWaalsContact O-CG 3.28Å; K51-R55 WeakPolarHBondContact O-CG 3.41Å; K51-R55 PolarHBondContact O-N 2.95Å; V52-R55 CarbonylContact O-C 3.55Å; V52-R55 WeakPolarHBondContact O-CA 3.43Å; V52-R55 WeakPolarHBondContact O-CB 3.24Å; V52-R55 PolarHBondContact O-N 2.9Å; V52-R55 VanDerWaalsContact O-N 3.1Å; A53-R55 PolarHBondContact O-N 2.79Å; R55-L57 VanDerWaalsContact C-N 3.27Å; R55-G58 PolarHBondContact O-N 3.15Å; R55-V61 HydrophobicContact CG-CG2 4.09Å
56	A	83.9	Confident	87.7	Confident	86 Å²	86	75.1 Å²	75.1	71%	0.711	39%	0.391	S	S	*	.	H	α-helix	trans	-63.9	-36.2	173.1	0	0	0	0	0	111.3	V52 A53 G58	V52-A56 PolarHBondContact O-N 3.09Å; A53-A56 WeakPolarHBondContact O-CB 3.3Å; A53-A56 PolarHBondContact O-N 3.45Å; A56-G58 PolarHBondContact O-N 3.14Å
57	L	78.9	Confident	87.5	Confident	99 Å²	99	76.9 Å²	76.9	52%	0.518	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	8.3	170.3	-61.8	173.2	0	0	0	113.9	F37 A53 R55 F59	F37-L57 HydrophobicContact CZ-CD1 4.48Å; A53-L57 WeakPolarHBondContact O-CG 3.36Å; A53-L57 PolarHBondContact O-N 2.98Å; R55-L57 VanDerWaalsContact C-N 3.27Å; L57-F59 HydrophobicContact CB-CD2 3.84Å; L57-F59 HydrophobicContact CB-CE2 3.87Å
58	G	80.2	Confident	87.2	Confident	67 Å²	67	81.1 Å²	81.1	69%	0.691	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	1.8	173.3	0	0	0	0	0	116.8	R55 A56	R55-G58 PolarHBondContact O-N 3.15Å; A56-G58 PolarHBondContact O-N 3.14Å
59	F	78.7	Confident	86.9	Confident	129 Å²	129	77.8 Å²	77.8	57%	0.566	41%	0.405	S	S	*	.			trans	-83.5	129.5	-178.1	-59.7	-81	0	0	0	113.1	M54 L57 V61	M54-F59 WeakPolarHBondContact O-CB 3.5Å; M54-F59 PolarHBondContact O-N 3.01Å; L57-F59 HydrophobicContact CB-CD2 3.84Å; L57-F59 HydrophobicContact CB-CE2 3.87Å; F59-V61 HydrophobicContact CB-CG1 4.1Å; F59-V61 PolarHBondContact O-N 3.31Å; F59-V61 VanDerWaalsContact O-N 3.08Å
60	E	83.9	Confident	86.7	Confident	176 Å²	176	77.5 Å²	77.5	82%	0.822	40%	0.404	S	S	*	.			trans	-78.7	89.8	170.2	-166	-170.7	-177	0	0	111.3
61	V	86.9	Confident	86.6	Confident	13 Å²	13	84.9 Å²	84.9	8%	0.079	44%	0.436	C	S	.	.			trans	-93.3	137.8	-179.1	-64.5	0	0	0	0	113.9	K51 M54 R55 F59 V66	K51-V61 HydrophobicContact CG-CG2 4.09Å; M54-V61 HydrophobicContact CB-CG1 3.84Å; M54-V61 HydrophobicContact CB-CG2 4.23Å; M54-V61 HydrophobicContact CE-CG1 3.62Å; M54-V61 HydrophobicContact CG-CG1 4.44Å; M54-V61 HydrophobicContact SD-CG1 3.87Å; R55-V61 HydrophobicContact CG-CG2 4.09Å; F59-V61 HydrophobicContact CB-CG1 4.1Å; F59-V61 PolarHBondContact O-N 3.31Å; F59-V61 VanDerWaalsContact O-N 3.08Å; V61-V66 HydrophobicContact CB-CG2 4.05Å; V61-V66 HydrophobicContact CG2-CG2 4.04Å
62	K	90.8	Very high	86.4	Confident	140 Å²	140	86.2 Å²	86.2	61%	0.609	45%	0.446	S	S	*	.			trans	-98.6	157.7	173.7	-51.5	162.8	-175.4	162.1	0	109.9	V64 D65 V66	K62-V64 PolarHBondContact O-N 3.18Å; K62-V64 VanDerWaalsContact O-N 3.15Å; K62-D65 WeakPolarHBondContact CB-OD2 3.42Å; K62-D65 PolarHBondContact N-OD2 3.07Å; K62-D65 PolarHBondContact O-N 3.2Å; K62-D65 VanDerWaalsContact O-N 3.08Å; K62-V66 PolarHBondContact O-N 3.35Å
63	K	90.3	Very high	86.1	Confident	136 Å²	136	85.9 Å²	85.9	59%	0.591	44%	0.436	S	S	*	.	H	α-helix	trans	-54.7	-35.8	-179.7	174.3	162.4	-177	171.3	0	113.1	Y47 D65 L67	Y47-K63 HydrophobicContact CE2-CG 4.05Å; Y47-K63 WeakPolarHBondContact OH-CB 3.44Å; Y47-K63 VanDerWaalsContact OH-CG 3.3Å; Y47-K63 WeakPolarHBondContact OH-CG 3.41Å; K63-D65 VanDerWaalsContact C-N 3.33Å; K63-L67 HydrophobicContact CD-CD1 4.39Å; K63-L67 HydrophobicContact CG-CD1 3.82Å; K63-L67 HydrophobicContact CG-CG 4.28Å; K63-L67 WeakPolarHBondContact O-CB 3.47Å; K63-L67 VanDerWaalsContact O-CG 3.29Å; K63-L67 WeakPolarHBondContact O-CG 3.28Å; K63-L67 PolarHBondContact O-N 2.89Å; K63-L67 VanDerWaalsContact O-N 3.09Å
64	V	90.4	Very high	86	Confident	103 Å²	103	86.5 Å²	86.5	62%	0.624	44%	0.437	S	S	*	.	H	α-helix	trans	-70.6	-31.5	-178	89.7	0	0	0	0	112.3	K62 K68	K62-V64 PolarHBondContact O-N 3.18Å; K62-V64 VanDerWaalsContact O-N 3.15Å; V64-K68 WeakPolarHBondContact O-CB 3.49Å; V64-K68 PolarHBondContact O-N 2.82Å
65	D	87.5	Confident	85.7	Confident	69 Å²	69	91.5 Å²	91.5	37%	0.369	45%	0.454	S	S	.	.	H	α-helix	trans	-75	-45.7	-178.6	-47.5	-49.7	0	0	0	110	K62 K63 L67 K68 I69	K62-D65 WeakPolarHBondContact CB-OD2 3.42Å; K62-D65 PolarHBondContact N-OD2 3.07Å; K62-D65 PolarHBondContact O-N 3.2Å; K62-D65 VanDerWaalsContact O-N 3.08Å; K63-D65 VanDerWaalsContact C-N 3.33Å; D65-L67 PolarHBondContact O-N 3.42Å; D65-K68 WeakPolarHBondContact O-CB 3.42Å; D65-K68 PolarHBondContact O-N 3.37Å; D65-K68 VanDerWaalsContact O-N 3.14Å; D65-I69 WeakPolarHBondContact O-CG1 3.44Å; D65-I69 PolarHBondContact O-N 3.45Å
66	V	88.4	Confident	85.4	Confident	1 Å²	1	93 Å²	93	1%	0.006	47%	0.467	C	S	.	.	H	α-helix	trans	-61.3	-45.1	175	-177.2	0	0	0	0	111.1	Y47 L50 K51 V61 K62 K68 I69 L70	Y47-V66 HydrophobicContact CD2-CB 4.17Å; Y47-V66 HydrophobicContact CD2-CG1 3.55Å; Y47-V66 HydrophobicContact CE2-CB 3.89Å; Y47-V66 HydrophobicContact CE2-CG1 3.75Å; Y47-V66 HydrophobicContact CG-CG1 4.44Å; L50-V66 HydrophobicContact CB-CG1 4.36Å; L50-V66 HydrophobicContact CD2-CG1 3.84Å; L50-V66 HydrophobicContact CG-CG1 4.09Å; K51-V66 HydrophobicContact CB-CG1 4.24Å; K51-V66 HydrophobicContact CB-CG2 4.11Å; K51-V66 HydrophobicContact CG-CG2 4.33Å; V61-V66 HydrophobicContact CB-CG2 4.05Å; V61-V66 HydrophobicContact CG2-CG2 4.04Å; K62-V66 PolarHBondContact O-N 3.35Å; V66-K68 VanDerWaalsContact C-N 3.27Å; V66-K68 PolarHBondContact O-N 2.7Å; V66-I69 PolarHBondContact O-N 3.37Å; V66-L70 WeakPolarHBondContact O-CG 3.36Å; V66-L70 PolarHBondContact O-N 2.87Å
67	L	88.9	Confident	85.4	Confident	80 Å²	80	92 Å²	92	42%	0.419	47%	0.465	S	S	.	.	H	α-helix	trans	-64.9	-29.2	175.5	-73.8	176	0	0	0	113.2	Y47 K63 D65 L70 K71	Y47-L67 HydrophobicContact CD2-CD2 3.9Å; Y47-L67 HydrophobicContact CD2-CG 4.21Å; Y47-L67 HydrophobicContact CE2-CD2 4.24Å; Y47-L67 HydrophobicContact CE2-CG 4.09Å; K63-L67 HydrophobicContact CD-CD1 4.39Å; K63-L67 HydrophobicContact CG-CD1 3.82Å; K63-L67 HydrophobicContact CG-CG 4.28Å; K63-L67 WeakPolarHBondContact O-CB 3.47Å; K63-L67 VanDerWaalsContact O-CG 3.29Å; K63-L67 WeakPolarHBondContact O-CG 3.28Å; K63-L67 PolarHBondContact O-N 2.89Å; K63-L67 VanDerWaalsContact O-N 3.09Å; D65-L67 PolarHBondContact O-N 3.42Å; L67-L70 HydrophobicContact CD2-CD1 4.42Å; L67-K71 VanDerWaalsContact O-CB 3.32Å; L67-K71 WeakPolarHBondContact O-CB 3.47Å; L67-K71 PolarHBondContact O-N 3.16Å; L67-K71 VanDerWaalsContact O-N 3.12Å
68	K	87.7	Confident	85.7	Confident	125 Å²	125	90.3 Å²	90.3	54%	0.543	46%	0.462	S	S	.	.	H	α-helix	trans	-71.5	-44.4	173	-174.6	-176.9	179.8	-62.5	0	110.9	V64 D65 V66 K71 D72	V64-K68 WeakPolarHBondContact O-CB 3.49Å; V64-K68 PolarHBondContact O-N 2.82Å; D65-K68 WeakPolarHBondContact O-CB 3.42Å; D65-K68 PolarHBondContact O-N 3.37Å; D65-K68 VanDerWaalsContact O-N 3.14Å; V66-K68 VanDerWaalsContact C-N 3.27Å; V66-K68 PolarHBondContact O-N 2.7Å; K68-K71 PolarHBondContact O-N 2.89Å; K68-D72 IonicContact NZ-OD1 3.81Å; K68-D72 IonicContact NZ-OD2 3.42Å; K68-D72 PolarHBondContact NZ-OD2 2.96Å; K68-D72 WeakPolarHBondContact O-CB 3.28Å; K68-D72 PolarHBondContact O-N 3.26Å
69	I	86	Confident	85.9	Confident	46 Å²	46	89.1 Å²	89.1	24%	0.236	45%	0.45	C	S	.	.	H	α-helix	trans	-60.5	-47.2	177.5	-68.3	163.8	0	0	0	110.7	L50 M54 D65 V66 D72 Y73	L50-I69 HydrophobicContact CD1-CG2 4.47Å; L50-I69 HydrophobicContact CD2-CB 4.15Å; L50-I69 HydrophobicContact CD2-CG2 3.68Å; M54-I69 HydrophobicContact CE-CD1 3.63Å; M54-I69 HydrophobicContact SD-CD1 3.88Å; D65-I69 WeakPolarHBondContact O-CG1 3.44Å; D65-I69 PolarHBondContact O-N 3.45Å; V66-I69 PolarHBondContact O-N 3.37Å; I69-D72 PolarHBondContact O-N 2.95Å; I69-Y73 HydrophobicContact CG2-CD2 3.86Å; I69-Y73 HydrophobicContact CG2-CE2 3.96Å; I69-Y73 WeakPolarHBondContact O-CD2 3.42Å; I69-Y73 PolarHBondContact O-N 3.07Å
70	L	88.7	Confident	86.5	Confident	8 Å²	8	84.9 Å²	84.9	4%	0.042	43%	0.431	C	S	.	.	H	α-helix	trans	-54.5	-56.1	172	-69.9	173.3	0	0	0	110.5	Y47 L50 V66 L67 D72 Y73 D74 I81	Y47-L70 HydrophobicContact CD2-CD1 4.13Å; Y47-L70 HydrophobicContact CG-CD1 4.46Å; L50-L70 HydrophobicContact CD2-CD2 3.9Å; L50-L70 HydrophobicContact CD2-CG 4.01Å; V66-L70 WeakPolarHBondContact O-CG 3.36Å; V66-L70 PolarHBondContact O-N 2.87Å; L67-L70 HydrophobicContact CD2-CD1 4.42Å; L70-D72 VanDerWaalsContact C-N 3.26Å; L70-D72 PolarHBondContact O-N 3.44Å; L70-Y73 PolarHBondContact O-N 2.98Å; L70-Y73 VanDerWaalsContact O-N 3.07Å; L70-D74 WeakPolarHBondContact O-CB 3.5Å; L70-D74 PolarHBondContact O-N 3.22Å; L70-I81 HydrophobicContact CD2-CD1 3.95Å; L70-I81 HydrophobicContact CD2-CG1 3.92Å
71	K	88.3	Confident	86.8	Confident	168 Å²	168	76.8 Å²	76.8	73%	0.73	39%	0.393	S	S	*	.	H	α-helix	trans	-61.1	-30.8	-177.3	-174.8	-176.7	174.6	-167.1	0	114.3	L67 K68 Y73	L67-K71 VanDerWaalsContact O-CB 3.32Å; L67-K71 WeakPolarHBondContact O-CB 3.47Å; L67-K71 PolarHBondContact O-N 3.16Å; L67-K71 VanDerWaalsContact O-N 3.12Å; K68-K71 PolarHBondContact O-N 2.89Å; K71-Y73 VanDerWaalsContact C-N 3.29Å
72	D	85.6	Confident	87	Confident	89 Å²	89	77.3 Å²	77.3	48%	0.476	40%	0.396	S	S	.	.	H	α-helix	trans	-77.7	-14.1	-179.7	-70.5	-12.8	0	0	0	112.6	K68 I69 L70	K68-D72 IonicContact NZ-OD1 3.81Å; K68-D72 IonicContact NZ-OD2 3.42Å; K68-D72 PolarHBondContact NZ-OD2 2.96Å; K68-D72 WeakPolarHBondContact O-CB 3.28Å; K68-D72 PolarHBondContact O-N 3.26Å; I69-D72 PolarHBondContact O-N 2.95Å; L70-D72 VanDerWaalsContact C-N 3.26Å; L70-D72 PolarHBondContact O-N 3.44Å
73	Y	83.9	Confident	87	Confident	84 Å²	84	73.5 Å²	73.5	33%	0.329	38%	0.38	S	S	.	.	H	α-helix	trans	-127.9	-22.3	-175.4	-58.7	-46.5	0	0	0	115.8	I69 L70 K71 R75 I81 V89	I69-Y73 HydrophobicContact CG2-CD2 3.86Å; I69-Y73 HydrophobicContact CG2-CE2 3.96Å; I69-Y73 WeakPolarHBondContact O-CD2 3.42Å; I69-Y73 PolarHBondContact O-N 3.07Å; L70-Y73 PolarHBondContact O-N 2.98Å; L70-Y73 VanDerWaalsContact O-N 3.07Å; K71-Y73 VanDerWaalsContact C-N 3.29Å; Y73-R75 PolarHBondContact O-N 2.91Å; Y73-I81 HydrophobicContact CD2-CD1 4.36Å; Y73-V89 HydrophobicContact CD1-CB 4.33Å; Y73-V89 HydrophobicContact CD1-CG1 3.84Å; Y73-V89 HydrophobicContact CD1-CG2 3.53Å; Y73-V89 HydrophobicContact CE1-CB 4.45Å; Y73-V89 HydrophobicContact CE1-CG1 3.53Å; Y73-V89 HydrophobicContact CE1-CG2 3.99Å; Y73-V89 HydrophobicContact CG-CG1 4.49Å; Y73-V89 HydrophobicContact CG-CG2 4.24Å
74	D	86.7	Confident	86.9	Confident	23 Å²	23	73.5 Å²	73.5	12%	0.123	38%	0.382	C	S	.	.			trans	-69	90.8	170.2	172.8	20.7	0	0	0	109.9	L70 E76 G77 S78 G79 K80	L70-D74 WeakPolarHBondContact O-CB 3.5Å; L70-D74 PolarHBondContact O-N 3.22Å; D74-E76 VanDerWaalsContact C-N 3.35Å; D74-G77 WeakPolarHBondContact OD1-CA 3.46Å; D74-G77 PolarHBondContact OD1-N 3.15Å; D74-G77 VanDerWaalsContact OD2-CA 3.26Å; D74-G77 WeakPolarHBondContact OD2-CA 3.31Å; D74-S78 VanDerWaalsContact CG-N 3.33Å; D74-S78 PolarHBondContact OD1-N 3.22Å; D74-S78 PolarHBondContact OD1-OG 2.92Å; D74-S78 PolarHBondContact OD2-N 2.89Å; D74-G79 WeakPolarHBondContact OD2-CA 3.48Å; D74-G79 PolarHBondContact OD2-N 2.82Å; D74-K80 WeakPolarHBondContact CB-O 3.26Å; D74-K80 VanDerWaalsContact CG-O 3.26Å
75	R	77.5	Confident	86.8	Confident	140 Å²	140	69.1 Å²	69.1	53%	0.528	36%	0.355	S	S	.	.	S	Bend	trans	-74	-27.4	-175.3	-65.4	178.1	175.2	-157.7	-1.2	113.1	Y73 D85 E88	Y73-R75 PolarHBondContact O-N 2.91Å; R75-D85 VanDerWaalsContact CB-OD1 3.32Å; R75-D85 WeakPolarHBondContact CB-OD1 3.44Å; R75-D85 VanDerWaalsContact CD-OD1 3.24Å; R75-D85 WeakPolarHBondContact CD-OD1 3.34Å; R75-D85 WeakPolarHBondContact CG-OD1 3.4Å; R75-E88 IonicContact CZ-OE1 3.24Å; R75-E88 IonicContact CZ-OE2 3.62Å; R75-E88 IonicContact NH1-OE1 3.68Å; R75-E88 PolarHBondContact NH1-OE1 3.43Å; R75-E88 IonicContact NH1-OE2 2.64Å; R75-E88 PolarHBondContact NH1-OE2 2.94Å; R75-E88 IonicContact NH2-OE1 2.76Å; R75-E88 PolarHBondContact NH2-OE1 2.91Å; R75-E88 IonicContact NH2-OE2 3.95Å
76	E	81.1	Confident	86.8	Confident	171 Å²	171	67.4 Å²	67.4	80%	0.799	34%	0.344	S	S	*	.	S	Bend	trans	-87.7	-16.9	-177.7	-55.2	-150	147.9	0	0	112.9	D74	D74-E76 VanDerWaalsContact C-N 3.35Å
77	G	82.4	Confident	86.6	Confident	64 Å²	64	68.8 Å²	68.8	66%	0.66	35%	0.354	S	S	*	.			trans	79.5	26.2	-176.6	0	0	0	0	0	113.1	D74	D74-G77 WeakPolarHBondContact OD1-CA 3.46Å; D74-G77 PolarHBondContact OD1-N 3.15Å; D74-G77 VanDerWaalsContact OD2-CA 3.26Å; D74-G77 WeakPolarHBondContact OD2-CA 3.31Å
78	S	85.4	Confident	86.4	Confident	65 Å²	65	69.4 Å²	69.4	46%	0.455	36%	0.355	S	S	.	.	S	Bend	trans	-70.2	-27.2	-178	66.2	0	0	0	0	113.8	D74 K80	D74-S78 VanDerWaalsContact CG-N 3.33Å; D74-S78 PolarHBondContact OD1-N 3.22Å; D74-S78 PolarHBondContact OD1-OG 2.92Å; D74-S78 PolarHBondContact OD2-N 2.89Å; S78-K80 PolarHBondContact OG-N 3.43Å; S78-K80 PolarHBondContact OG-O 3.19Å; S78-K80 VanDerWaalsContact OG-O 3.06Å
79	G	85.8	Confident	86.1	Confident	42 Å²	42	64.7 Å²	64.7	43%	0.433	34%	0.337	S	S	.	.	S	Bend	trans	88	1.4	-165.8	0	0	0	0	0	114.7	D74	D74-G79 WeakPolarHBondContact OD2-CA 3.48Å; D74-G79 PolarHBondContact OD2-N 2.82Å
80	K	89.7	Confident	86	Confident	39 Å²	39	64.5 Å²	64.5	17%	0.17	34%	0.337	C	S	.	.	S	Bend	trans	-127.8	172.8	179	-70.9	176.8	137.1	-151.9	0	110.5	D42 E44 I45 D46 D74 S78	D42-K80 IonicContact OD1-NZ 2.73Å; D42-K80 PolarHBondContact OD1-NZ 2.89Å; D42-K80 IonicContact OD2-NZ 3.73Å; D42-K80 PolarHBondContact OD2-NZ 3.23Å; E44-K80 HydrophobicContact CB-CB 4.07Å; E44-K80 HydrophobicContact CB-CD 3.69Å; E44-K80 HydrophobicContact CB-CG 4.43Å; E44-K80 HydrophobicContact CG-CD 4.35Å; E44-K80 WeakPolarHBondContact OE2-CD 3.21Å; E44-K80 WeakPolarHBondContact OE2-CE 3.31Å; E44-K80 IonicContact OE2-NZ 3.8Å; E44-K80 PolarHBondContact OE2-NZ 2.69Å; I45-K80 WeakPolarHBondContact O-CA 3.49Å; D46-K80 HydrophobicContact CB-CG 4.4Å; D74-K80 WeakPolarHBondContact CB-O 3.26Å; D74-K80 VanDerWaalsContact CG-O 3.26Å; S78-K80 PolarHBondContact OG-N 3.43Å; S78-K80 PolarHBondContact OG-O 3.19Å; S78-K80 VanDerWaalsContact OG-O 3.06Å
81	I	91.1	Very high	85.7	Confident	7 Å²	7	65.7 Å²	65.7	4%	0.036	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.3	171.5	-64.3	170.3	0	0	0	108.4	E44 I45 L70 Y73 D85 F86	E44-I81 CarbonylContact C-O 3.52Å; E44-I81 WeakPolarHBondContact CA-O 3.42Å; I45-I81 HydrophobicContact CB-CB 4.45Å; I45-I81 PolarHBondContact N-O 2.83Å; I45-I81 PolarHBondContact O-N 3.26Å; L70-I81 HydrophobicContact CD2-CD1 3.95Å; L70-I81 HydrophobicContact CD2-CG1 3.92Å; Y73-I81 HydrophobicContact CD2-CD1 4.36Å; I81-D85 HydrophobicContact CG2-CB 3.82Å; I81-F86 HydrophobicContact CG2-CB 4Å
82	T	91.7	Very high	85.3	Confident	24 Å²	24	62 Å²	62	15%	0.147	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	164	176.4	63.2	0	0	0	0	111.9	E84 D85 F86	T82-E84 PolarHBondContact O-N 3.31Å; T82-D85 WeakPolarHBondContact CB-OD2 3.41Å; T82-D85 PolarHBondContact N-OD2 2.95Å; T82-D85 VanDerWaalsContact N-OD2 3.14Å; T82-D85 PolarHBondContact O-N 3.17Å; T82-D85 PolarHBondContact OG1-N 3.01Å; T82-D85 PolarHBondContact OG1-OD2 3.45Å; T82-F86 WeakPolarHBondContact O-CB 3.37Å; T82-F86 PolarHBondContact O-N 2.91Å
83	F	89.6	Confident	85	Confident	59 Å²	59	64.6 Å²	64.6	26%	0.259	34%	0.336	S	S	.	.	H	α-helix	trans	-57.2	-38.5	168.8	177.2	-105	0	0	0	111.7	I30 K31 F34 K43 F86 S87	I30-F83 HydrophobicContact CG2-CE2 4.28Å; K31-F83 HydrophobicContact CB-CE2 4.38Å; K31-F83 HydrophobicContact CG-CE2 4.26Å; F34-F83 HydrophobicContact CB-CD2 3.96Å; F34-F83 HydrophobicContact CB-CE2 4.2Å; F34-F83 AromaticContact CD1-CD2 3.95Å; F34-F83 HydrophobicContact CD1-CD2 3.95Å; F34-F83 HydrophobicContact CD2-CB 4.41Å; F34-F83 AromaticContact CD2-CD2 3.86Å; F34-F83 HydrophobicContact CD2-CD2 3.86Å; F34-F83 HydrophobicContact CE1-CB 4.2Å; F34-F83 HydrophobicContact CE1-CD2 4.44Å; F34-F83 VanDerWaalsContact CE2-CA 3.47Å; F34-F83 HydrophobicContact CE2-CB 4.05Å; F34-F83 HydrophobicContact CE2-CD2 4.36Å; F34-F83 AromaticContact CG-CD2 3.64Å; F34-F83 HydrophobicContact CG-CD2 3.64Å; F34-F83 HydrophobicContact CG-CE2 4.37Å; F34-F83 HydrophobicContact CZ-CB 3.95Å; K43-F83 PolarHBondContact O-N 2.99Å; F83-F86 PolarHBondContact O-N 3.23Å; F83-S87 WeakPolarHBondContact O-CB 3.28Å; F83-S87 PolarHBondContact O-N 3.14Å
84	E	88.6	Confident	84.7	Confident	137 Å²	137	62.5 Å²	62.5	64%	0.64	33%	0.331	S	S	*	.	H	α-helix	trans	-62.2	-46.4	176.6	-73.9	68.3	-160.4	0	0	112.3	T82 E88	T82-E84 PolarHBondContact O-N 3.31Å; E84-E88 PolarHBondContact O-N 3.45Å
85	D	88.3	Confident	84.2	Confident	10 Å²	10	63 Å²	63	5%	0.053	33%	0.333	C	S	.	.	H	α-helix	trans	-60.3	-49.7	174.9	-69.4	-56.3	0	0	0	111.5	R75 I81 T82 V89	R75-D85 VanDerWaalsContact CB-OD1 3.32Å; R75-D85 WeakPolarHBondContact CB-OD1 3.44Å; R75-D85 VanDerWaalsContact CD-OD1 3.24Å; R75-D85 WeakPolarHBondContact CD-OD1 3.34Å; R75-D85 WeakPolarHBondContact CG-OD1 3.4Å; I81-D85 HydrophobicContact CG2-CB 3.82Å; T82-D85 WeakPolarHBondContact CB-OD2 3.41Å; T82-D85 PolarHBondContact N-OD2 2.95Å; T82-D85 VanDerWaalsContact N-OD2 3.14Å; T82-D85 PolarHBondContact O-N 3.17Å; T82-D85 PolarHBondContact OG1-N 3.01Å; T82-D85 PolarHBondContact OG1-OD2 3.45Å; D85-V89 WeakPolarHBondContact O-CB 3.43Å; D85-V89 VanDerWaalsContact O-CG2 3.22Å; D85-V89 WeakPolarHBondContact O-CG2 3.29Å; D85-V89 PolarHBondContact O-N 3.24Å; D85-V89 VanDerWaalsContact O-N 3.12Å
86	F	86.8	Confident	84.3	Confident	33 Å²	33	62.2 Å²	62.2	15%	0.145	34%	0.335	C	S	.	.	H	α-helix	trans	-61.8	-46.6	179.9	-177.5	-91.1	0	0	0	111.3	I30 A33 F34 F37 I45 I81 T82 F83 V89 V90	I30-F86 HydrophobicContact CG2-CD1 4.14Å; I30-F86 HydrophobicContact CG2-CE1 4.13Å; A33-F86 HydrophobicContact CB-CE1 4.45Å; A33-F86 HydrophobicContact CB-CZ 4.28Å; F34-F86 HydrophobicContact CB-CD1 4.1Å; F34-F86 HydrophobicContact CB-CE1 4.02Å; F34-F86 HydrophobicContact CD2-CB 3.78Å; F34-F86 AromaticContact CD2-CD1 3.77Å; F34-F86 HydrophobicContact CD2-CD1 3.77Å; F34-F86 HydrophobicContact CD2-CD2 4.27Å; F34-F86 HydrophobicContact CD2-CE1 4.38Å; F34-F86 AromaticContact CD2-CG 3.7Å; F34-F86 HydrophobicContact CD2-CG 3.7Å; F34-F86 HydrophobicContact CE2-CB 4.03Å; F34-F86 HydrophobicContact CE2-CG 4.38Å; F34-F86 HydrophobicContact CG-CD1 4.43Å; F37-F86 HydrophobicContact CD2-CE2 4.13Å; F37-F86 HydrophobicContact CD2-CZ 4.27Å; F37-F86 HydrophobicContact CE2-CE2 4.08Å; F37-F86 HydrophobicContact CE2-CZ 4.14Å; I45-F86 HydrophobicContact CD1-CD2 4.06Å; I45-F86 HydrophobicContact CD1-CE2 4.43Å; I81-F86 HydrophobicContact CG2-CB 4Å; T82-F86 WeakPolarHBondContact O-CB 3.37Å; T82-F86 PolarHBondContact O-N 2.91Å; F83-F86 PolarHBondContact O-N 3.23Å; F86-V89 PolarHBondContact O-N 3.01Å; F86-V90 HydrophobicContact CD1-CG2 4.15Å; F86-V90 HydrophobicContact CE1-CG2 3.91Å; F86-V90 HydrophobicContact CE2-CG2 4.31Å; F86-V90 HydrophobicContact CG-CG2 4.46Å; F86-V90 HydrophobicContact CZ-CG2 4Å; F86-V90 WeakPolarHBondContact O-CG2 3.22Å; F86-V90 PolarHBondContact O-N 3.11Å
87	S	85.2	Confident	84.1	Confident	30 Å²	30	60.3 Å²	60.3	21%	0.21	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-43.7	-178.5	-174.7	0	0	0	0	111.7	F83 T91	F83-S87 WeakPolarHBondContact O-CB 3.28Å; F83-S87 PolarHBondContact O-N 3.14Å; S87-T91 WeakPolarHBondContact O-CB 3.35Å; S87-T91 PolarHBondContact O-N 2.94Å; S87-T91 PolarHBondContact O-OG1 3.33Å
88	E	84.2	Confident	84	Confident	93 Å²	93	61.3 Å²	61.3	44%	0.435	31%	0.311	S	S	.	.	H	α-helix	trans	-64.9	-42.8	176.3	-161.8	-174.1	127.9	0	0	111.5	R75 E84 T91 D92	R75-E88 IonicContact CZ-OE1 3.24Å; R75-E88 IonicContact CZ-OE2 3.62Å; R75-E88 IonicContact NH1-OE1 3.68Å; R75-E88 PolarHBondContact NH1-OE1 3.43Å; R75-E88 IonicContact NH1-OE2 2.64Å; R75-E88 PolarHBondContact NH1-OE2 2.94Å; R75-E88 IonicContact NH2-OE1 2.76Å; R75-E88 PolarHBondContact NH2-OE1 2.91Å; R75-E88 IonicContact NH2-OE2 3.95Å; E84-E88 PolarHBondContact O-N 3.45Å; E88-T91 PolarHBondContact O-N 3.29Å; E88-D92 PolarHBondContact O-N 3.15Å
89	V	81.9	Confident	83.7	Confident	27 Å²	27	61 Å²	61	16%	0.164	31%	0.308	C	S	.	.	H	α-helix	trans	-63.4	-46.1	179.1	168.1	0	0	0	0	112.1	Y73 D85 F86 R93	Y73-V89 HydrophobicContact CD1-CB 4.33Å; Y73-V89 HydrophobicContact CD1-CG1 3.84Å; Y73-V89 HydrophobicContact CD1-CG2 3.53Å; Y73-V89 HydrophobicContact CE1-CB 4.45Å; Y73-V89 HydrophobicContact CE1-CG1 3.53Å; Y73-V89 HydrophobicContact CE1-CG2 3.99Å; Y73-V89 HydrophobicContact CG-CG1 4.49Å; Y73-V89 HydrophobicContact CG-CG2 4.24Å; D85-V89 WeakPolarHBondContact O-CB 3.43Å; D85-V89 VanDerWaalsContact O-CG2 3.22Å; D85-V89 WeakPolarHBondContact O-CG2 3.29Å; D85-V89 PolarHBondContact O-N 3.24Å; D85-V89 VanDerWaalsContact O-N 3.12Å; F86-V89 PolarHBondContact O-N 3.01Å; V89-R93 WeakPolarHBondContact O-CG 3.25Å; V89-R93 PolarHBondContact O-N 3.07Å; V89-R93 VanDerWaalsContact O-N 3.12Å
90	V	82.6	Confident	83.5	Confident	41 Å²	41	64.2 Å²	64.2	25%	0.248	31%	0.31	C	S	.	.	H	α-helix	trans	-72.9	-35.9	179.2	-179.1	0	0	0	0	110.9	I30 F86 R93 I94	I30-V90 HydrophobicContact CD1-CB 4.38Å; I30-V90 HydrophobicContact CD1-CG1 4.06Å; I30-V90 HydrophobicContact CG1-CB 4.29Å; I30-V90 HydrophobicContact CG1-CG1 3.72Å; F86-V90 HydrophobicContact CD1-CG2 4.15Å; F86-V90 HydrophobicContact CE1-CG2 3.91Å; F86-V90 HydrophobicContact CE2-CG2 4.31Å; F86-V90 HydrophobicContact CG-CG2 4.46Å; F86-V90 HydrophobicContact CZ-CG2 4Å; F86-V90 WeakPolarHBondContact O-CG2 3.22Å; F86-V90 PolarHBondContact O-N 3.11Å; V90-R93 PolarHBondContact O-N 3Å; V90-I94 HydrophobicContact CG1-CD1 3.86Å; V90-I94 HydrophobicContact CG1-CG1 4.35Å; V90-I94 WeakPolarHBondContact O-CG1 3.43Å; V90-I94 PolarHBondContact O-N 3.17Å
91	T	82.7	Confident	83.3	Confident	33 Å²	33	67.9 Å²	67.9	20%	0.202	33%	0.327	C	S	.	.	H	α-helix	trans	-56.5	-55.6	171.2	-64.4	0	0	0	0	110.9	L22 S87 E88 R93 I94 L95	L22-T91 HydrophobicContact CD1-CG2 4.04Å; L22-T91 WeakPolarHBondContact CD1-OG1 3.25Å; L22-T91 HydrophobicContact CG-CG2 4.14Å; S87-T91 WeakPolarHBondContact O-CB 3.35Å; S87-T91 PolarHBondContact O-N 2.94Å; S87-T91 PolarHBondContact O-OG1 3.33Å; E88-T91 PolarHBondContact O-N 3.29Å; T91-R93 PolarHBondContact O-N 2.77Å; T91-I94 PolarHBondContact O-N 2.92Å; T91-I94 VanDerWaalsContact O-N 3.15Å; T91-L95 HydrophobicContact CG2-CD1 3.66Å; T91-L95 HydrophobicContact CG2-CG 4.14Å; T91-L95 WeakPolarHBondContact O-CB 3.44Å; T91-L95 VanDerWaalsContact O-CG 3.25Å; T91-L95 WeakPolarHBondContact O-CG 3.34Å; T91-L95 PolarHBondContact O-N 2.9Å
92	D	80.4	Confident	83	Confident	92 Å²	92	70 Å²	70	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-59.1	-37.5	179.9	-97.7	-7.1	0	0	0	111.3	E88 L95 E96	E88-D92 PolarHBondContact O-N 3.15Å; D92-L95 CarbonylContact O-C 3.57Å; D92-L95 PolarHBondContact O-N 3.36Å; D92-E96 WeakPolarHBondContact O-CB 3.43Å; D92-E96 VanDerWaalsContact O-CG 3.31Å; D92-E96 WeakPolarHBondContact O-CG 3.22Å; D92-E96 PolarHBondContact O-N 2.93Å
93	R	79.1	Confident	82.8	Confident	142 Å²	142	69.8 Å²	69.8	54%	0.536	34%	0.335	S	S	.	.	H	α-helix	trans	-66.5	-39.1	175.2	-76.2	-53.9	-159.1	-173.4	6.2	114.6	V89 V90 T91 E96 R97	V89-R93 WeakPolarHBondContact O-CG 3.25Å; V89-R93 PolarHBondContact O-N 3.07Å; V89-R93 VanDerWaalsContact O-N 3.12Å; V90-R93 PolarHBondContact O-N 3Å; T91-R93 PolarHBondContact O-N 2.77Å; R93-E96 IonicContact CZ-OE2 3.57Å; R93-E96 IonicContact NH1-OE2 3.22Å; R93-E96 PolarHBondContact NH1-OE2 2.73Å; R93-R97 WeakPolarHBondContact O-CD 3.28Å; R93-R97 WeakPolarHBondContact O-CG 3.48Å; R93-R97 PolarHBondContact O-N 3.48Å
94	I	77.7	Confident	82.7	Confident	41 Å²	41	68.4 Å²	68.4	21%	0.21	33%	0.329	C	S	.	.	H	α-helix	trans	-67.8	-42.6	174	-68.8	166.3	0	0	0	109.6	L22 I30 V90 T91 E96 R97	L22-I94 HydrophobicContact CD2-CB 4.02Å; L22-I94 HydrophobicContact CD2-CD1 4.31Å; L22-I94 HydrophobicContact CD2-CG2 3.61Å; I30-I94 HydrophobicContact CD1-CD1 4.02Å; I30-I94 HydrophobicContact CG1-CD1 4.25Å; V90-I94 HydrophobicContact CG1-CD1 3.86Å; V90-I94 HydrophobicContact CG1-CG1 4.35Å; V90-I94 WeakPolarHBondContact O-CG1 3.43Å; V90-I94 PolarHBondContact O-N 3.17Å; T91-I94 PolarHBondContact O-N 2.92Å; T91-I94 VanDerWaalsContact O-N 3.15Å; I94-E96 VanDerWaalsContact C-N 3.33Å; I94-E96 PolarHBondContact O-N 2.71Å; I94-R97 PolarHBondContact O-N 2.96Å
95	L	76.6	Confident	82.8	Confident	34 Å²	34	65.6 Å²	65.6	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-74.2	-19.2	-179.6	-61	-175.8	0	0	0	113.8	K17 R20 L22 T91 D92	K17-L95 WeakPolarHBondContact CE-O 3.39Å; K17-L95 PolarHBondContact NZ-O 3.28Å; R20-L95 HydrophobicContact CB-CD2 3.71Å; R20-L95 VanDerWaalsContact O-CD1 3.3Å; R20-L95 WeakPolarHBondContact O-CD1 3.38Å; R20-L95 VanDerWaalsContact O-CD2 3.22Å; R20-L95 WeakPolarHBondContact O-CD2 3.25Å; L22-L95 HydrophobicContact CD2-CD2 4.02Å; L22-L95 HydrophobicContact CD2-CG 4.34Å; T91-L95 HydrophobicContact CG2-CD1 3.66Å; T91-L95 HydrophobicContact CG2-CG 4.14Å; T91-L95 WeakPolarHBondContact O-CB 3.44Å; T91-L95 VanDerWaalsContact O-CG 3.25Å; T91-L95 WeakPolarHBondContact O-CG 3.34Å; T91-L95 PolarHBondContact O-N 2.9Å; D92-L95 CarbonylContact O-C 3.57Å; D92-L95 PolarHBondContact O-N 3.36Å
96	E	78.9	Confident	82.9	Confident	122 Å²	122	66.6 Å²	66.6	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-73.7	-30.9	169.6	-85.8	-169.9	146.2	0	0	113.3	D92 R93 I94	D92-E96 WeakPolarHBondContact O-CB 3.43Å; D92-E96 VanDerWaalsContact O-CG 3.31Å; D92-E96 WeakPolarHBondContact O-CG 3.22Å; D92-E96 PolarHBondContact O-N 2.93Å; R93-E96 IonicContact CZ-OE2 3.57Å; R93-E96 IonicContact NH1-OE2 3.22Å; R93-E96 PolarHBondContact NH1-OE2 2.73Å; I94-E96 VanDerWaalsContact C-N 3.33Å; I94-E96 PolarHBondContact O-N 2.71Å
97	R	77.8	Confident	83.1	Confident	132 Å²	132	65 Å²	65	50%	0.498	32%	0.318	S	S	.	.	S	Bend	trans	-73	148.7	-177.2	-72.3	161.8	121.3	162.8	-10.7	111.8	R93 I94 E102	R93-R97 WeakPolarHBondContact O-CD 3.28Å; R93-R97 WeakPolarHBondContact O-CG 3.48Å; R93-R97 PolarHBondContact O-N 3.48Å; I94-R97 PolarHBondContact O-N 2.96Å; R97-E102 HydrophobicContact CB-CG 4.12Å; R97-E102 HydrophobicContact CG-CG 4.38Å; R97-E102 IonicContact CZ-OE1 3.01Å; R97-E102 IonicContact CZ-OE2 3.32Å; R97-E102 VanDerWaalsContact CZ-OE2 3.27Å; R97-E102 IonicContact NE-OE1 2.86Å; R97-E102 PolarHBondContact NE-OE1 3.21Å; R97-E102 IonicContact NE-OE2 2.85Å; R97-E102 PolarHBondContact NE-OE2 3.21Å; R97-E102 VanDerWaalsContact NE-OE2 3.17Å; R97-E102 IonicContact NH2-OE1 2.81Å; R97-E102 IonicContact NH2-OE2 3.69Å; R97-E102 PolarHBondContact NH2-OE2 2.97Å
98	D	79.9	Confident	83.4	Confident	85 Å²	85	71 Å²	71	46%	0.455	34%	0.336	S	S	.	.			trans	-88.7	121.7	163.7	-164.1	-46.6	0	0	0	108.4	K100 E101 E102	D98-K100 PolarHBondContact O-N 2.7Å; D98-K100 WeakPolarHBondContact OD1-CB 3.43Å; D98-K100 PolarHBondContact OD1-N 2.86Å; D98-E101 HydrophobicContact CB-CB 4.18Å; D98-E101 HydrophobicContact CB-CG 4.21Å; D98-E101 WeakPolarHBondContact O-CA 3.29Å; D98-E101 WeakPolarHBondContact O-CB 3.4Å; D98-E101 PolarHBondContact O-N 3.03Å; D98-E102 PolarHBondContact O-N 3.21Å; D98-E102 VanDerWaalsContact O-N 3.15Å
99	P	78.7	Confident	83.7	Confident	59 Å²	59	72.6 Å²	72.6	38%	0.383	35%	0.347	S	S	.	.	H	α-helix	trans	-53.4	-35.4	175.6	-27.9	36	0	0	0	112.9	E101 E102 I103	P99-E101 VanDerWaalsContact C-N 3.32Å; P99-E101 PolarHBondContact O-N 3.26Å; P99-E102 PolarHBondContact O-N 3.08Å; P99-I103 WeakPolarHBondContact O-CB 3.44Å; P99-I103 VanDerWaalsContact O-CG1 3.28Å; P99-I103 WeakPolarHBondContact O-CG1 3.34Å; P99-I103 PolarHBondContact O-N 2.97Å
100	K	81.3	Confident	84.2	Confident	109 Å²	109	73.6 Å²	73.6	47%	0.474	35%	0.349	S	S	.	.	H	α-helix	trans	-67.3	-33	176	-175.9	160.6	-177.6	157.9	0	111.7	D98 M104 L160	D98-K100 PolarHBondContact O-N 2.7Å; D98-K100 WeakPolarHBondContact OD1-CB 3.43Å; D98-K100 PolarHBondContact OD1-N 2.86Å; K100-M104 HydrophobicContact CG-CG 4.31Å; K100-M104 VanDerWaalsContact O-CB 3.24Å; K100-M104 WeakPolarHBondContact O-CB 3.5Å; K100-M104 WeakPolarHBondContact O-CG 3.46Å; K100-M104 PolarHBondContact O-N 2.88Å; K100-L160 HydrophobicContact CD-CD2 3.98Å; K100-L160 HydrophobicContact CG-CD1 4.39Å; K100-L160 VanDerWaalsContact NZ-CD2 3.34Å
101	E	85.3	Confident	84.8	Confident	116 Å²	116	72 Å²	72	54%	0.542	34%	0.339	S	S	.	.	H	α-helix	trans	-68	-37.2	172.4	-83.8	-161	-171.5	0	0	112.9	D98 P99 M104 K105	D98-E101 HydrophobicContact CB-CB 4.18Å; D98-E101 HydrophobicContact CB-CG 4.21Å; D98-E101 WeakPolarHBondContact O-CA 3.29Å; D98-E101 WeakPolarHBondContact O-CB 3.4Å; D98-E101 PolarHBondContact O-N 3.03Å; P99-E101 VanDerWaalsContact C-N 3.32Å; P99-E101 PolarHBondContact O-N 3.26Å; E101-M104 CarbonylContact O-C 3.57Å; E101-K105 WeakPolarHBondContact O-CD 3.33Å; E101-K105 VanDerWaalsContact O-CE 3.3Å; E101-K105 WeakPolarHBondContact O-CE 3.16Å; E101-K105 WeakPolarHBondContact O-CG 3.47Å; E101-K105 PolarHBondContact O-N 3.41Å; E101-K105 IonicContact OE2-NZ 2.69Å; E101-K105 PolarHBondContact OE2-NZ 2.86Å
102	E	85.4	Confident	85.2	Confident	51 Å²	51	74 Å²	74	24%	0.238	35%	0.349	C	S	.	.	H	α-helix	trans	-72.8	-40.8	178.5	-58.1	-56.2	135.4	0	0	111.7	R97 D98 P99 M104 K105 A106	R97-E102 HydrophobicContact CB-CG 4.12Å; R97-E102 HydrophobicContact CG-CG 4.38Å; R97-E102 IonicContact CZ-OE1 3.01Å; R97-E102 IonicContact CZ-OE2 3.32Å; R97-E102 VanDerWaalsContact CZ-OE2 3.27Å; R97-E102 IonicContact NE-OE1 2.86Å; R97-E102 PolarHBondContact NE-OE1 3.21Å; R97-E102 IonicContact NE-OE2 2.85Å; R97-E102 PolarHBondContact NE-OE2 3.21Å; R97-E102 VanDerWaalsContact NE-OE2 3.17Å; R97-E102 IonicContact NH2-OE1 2.81Å; R97-E102 IonicContact NH2-OE2 3.69Å; R97-E102 PolarHBondContact NH2-OE2 2.97Å; D98-E102 PolarHBondContact O-N 3.21Å; D98-E102 VanDerWaalsContact O-N 3.15Å; P99-E102 PolarHBondContact O-N 3.08Å; E102-M104 VanDerWaalsContact C-N 3.32Å; E102-M104 PolarHBondContact O-N 3.24Å; E102-K105 WeakPolarHBondContact O-CA 3.4Å; E102-K105 WeakPolarHBondContact O-CB 3.32Å; E102-K105 PolarHBondContact O-N 3.13Å; E102-K105 IonicContact OE1-NZ 3.43Å; E102-K105 PolarHBondContact OE1-NZ 2.6Å; E102-A106 PolarHBondContact O-N 3.12Å
103	I	87.6	Confident	85.8	Confident	19 Å²	19	73.5 Å²	73.5	10%	0.097	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-43.9	170.9	-66.1	166.7	0	0	0	110.3	P99 K105 A106 F107 F159 L160 M163 T164	P99-I103 WeakPolarHBondContact O-CB 3.44Å; P99-I103 VanDerWaalsContact O-CG1 3.28Å; P99-I103 WeakPolarHBondContact O-CG1 3.34Å; P99-I103 PolarHBondContact O-N 2.97Å; I103-K105 PolarHBondContact O-N 3.39Å; I103-A106 PolarHBondContact O-N 3.27Å; I103-F107 PolarHBondContact O-N 3.38Å; I103-F159 HydrophobicContact CG2-CD1 3.89Å; I103-F159 HydrophobicContact CG2-CE1 4.02Å; I103-L160 HydrophobicContact CB-CD1 4.37Å; I103-L160 HydrophobicContact CD1-CD1 3.78Å; I103-L160 HydrophobicContact CG2-CD1 3.93Å; I103-M163 HydrophobicContact CB-CB 4.48Å; I103-M163 HydrophobicContact CD1-CB 3.69Å; I103-M163 HydrophobicContact CG1-CB 3.79Å; I103-M163 HydrophobicContact CG1-CG 4.45Å; I103-M163 HydrophobicContact CG2-CB 3.86Å; I103-M163 HydrophobicContact CG2-CG 4.09Å; I103-T164 HydrophobicContact CD1-CG2 3.9Å
104	M	88.6	Confident	86.4	Confident	30 Å²	30	75.3 Å²	75.3	15%	0.148	36%	0.36	C	S	.	.	H	α-helix	trans	-71.8	-7.1	173.4	-68.4	-51.6	-54	0	0	114.2	K100 E101 E102 F107 R108 Q156	K100-M104 HydrophobicContact CG-CG 4.31Å; K100-M104 VanDerWaalsContact O-CB 3.24Å; K100-M104 WeakPolarHBondContact O-CB 3.5Å; K100-M104 WeakPolarHBondContact O-CG 3.46Å; K100-M104 PolarHBondContact O-N 2.88Å; E101-M104 CarbonylContact O-C 3.57Å; E102-M104 VanDerWaalsContact C-N 3.32Å; E102-M104 PolarHBondContact O-N 3.24Å; M104-F107 HydrophobicContact CE-CB 4.46Å; M104-F107 HydrophobicContact CE-CD1 4.44Å; M104-F107 HydrophobicContact CE-CG 4.43Å; M104-R108 VanDerWaalsContact O-CZ 3.25Å; M104-R108 PolarHBondContact O-NE 3.38Å; M104-R108 PolarHBondContact O-NH2 2.88Å; M104-Q156 HydrophobicContact CE-CB 4.34Å; M104-Q156 VanDerWaalsContact CE-CD 3.49Å; M104-Q156 HydrophobicContact CE-CG 3.93Å; M104-Q156 VanDerWaalsContact CE-OE1 3.29Å; M104-Q156 HydrophobicContact SD-CB 4.47Å
105	K	89.3	Confident	87.2	Confident	78 Å²	78	76.2 Å²	76.2	34%	0.339	37%	0.371	S	S	.	.	H	α-helix	trans	-87.6	-45.2	166.3	-72.6	156.4	-154.4	168.2	0	109.5	E101 E102 I103 F107 R108 L109	E101-K105 WeakPolarHBondContact O-CD 3.33Å; E101-K105 VanDerWaalsContact O-CE 3.3Å; E101-K105 WeakPolarHBondContact O-CE 3.16Å; E101-K105 WeakPolarHBondContact O-CG 3.47Å; E101-K105 PolarHBondContact O-N 3.41Å; E101-K105 IonicContact OE2-NZ 2.69Å; E101-K105 PolarHBondContact OE2-NZ 2.86Å; E102-K105 WeakPolarHBondContact O-CA 3.4Å; E102-K105 WeakPolarHBondContact O-CB 3.32Å; E102-K105 PolarHBondContact O-N 3.13Å; E102-K105 IonicContact OE1-NZ 3.43Å; E102-K105 PolarHBondContact OE1-NZ 2.6Å; I103-K105 PolarHBondContact O-N 3.39Å; K105-F107 PolarHBondContact O-N 2.58Å; K105-R108 PolarHBondContact O-N 3.26Å; K105-L109 PolarHBondContact O-N 3.43Å
106	A	90.3	Very high	88	Confident	31 Å²	31	75.8 Å²	75.8	26%	0.256	37%	0.374	S	S	.	.	H	α-helix	trans	-56.3	-46.8	173.9	0	0	0	0	0	112.1	E102 I103 R108 L109 F110 F159	E102-A106 PolarHBondContact O-N 3.12Å; I103-A106 PolarHBondContact O-N 3.27Å; A106-R108 VanDerWaalsContact C-N 3.26Å; A106-R108 PolarHBondContact O-N 2.81Å; A106-L109 WeakPolarHBondContact O-CA 3.35Å; A106-L109 WeakPolarHBondContact O-CB 3.22Å; A106-L109 PolarHBondContact O-N 3.15Å; A106-F110 WeakPolarHBondContact O-CD2 3.35Å; A106-F110 PolarHBondContact O-N 3.39Å; A106-F159 HydrophobicContact CB-CE1 4.25Å; A106-F159 HydrophobicContact CB-CZ 4.32Å
107	F	92.3	Very high	88.8	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-49.7	-45.2	175.3	-174.4	-83.8	0	0	0	112.6	I103 M104 K105 L109 F110 D111 G116 I118 Q156 F159	I103-F107 PolarHBondContact O-N 3.38Å; M104-F107 HydrophobicContact CE-CB 4.46Å; M104-F107 HydrophobicContact CE-CD1 4.44Å; M104-F107 HydrophobicContact CE-CG 4.43Å; K105-F107 PolarHBondContact O-N 2.58Å; F107-L109 VanDerWaalsContact C-N 3.27Å; F107-L109 PolarHBondContact O-N 2.9Å; F107-F110 WeakPolarHBondContact O-CB 3.22Å; F107-F110 PolarHBondContact O-N 2.91Å; F107-F110 VanDerWaalsContact O-N 3.07Å; F107-D111 HydrophobicContact CD1-CB 4.14Å; F107-D111 HydrophobicContact CE1-CB 3.76Å; F107-D111 HydrophobicContact CZ-CB 4.49Å; F107-D111 PolarHBondContact O-N 3.35Å; F107-G116 WeakPolarHBondContact CZ-O 3.1Å; F107-I118 HydrophobicContact CD2-CD1 3.55Å; F107-I118 HydrophobicContact CD2-CG1 4.11Å; F107-I118 HydrophobicContact CE2-CD1 3.61Å; F107-I118 HydrophobicContact CE2-CG1 3.72Å; F107-I118 HydrophobicContact CG-CD1 4.21Å; F107-I118 HydrophobicContact CZ-CD1 4.31Å; F107-I118 HydrophobicContact CZ-CG1 3.95Å; F107-Q156 HydrophobicContact CD1-CG 4.25Å; F107-Q156 HydrophobicContact CD2-CG 4.23Å; F107-Q156 HydrophobicContact CE1-CG 3.79Å; F107-Q156 HydrophobicContact CE2-CB 4.38Å; F107-Q156 HydrophobicContact CE2-CG 3.77Å; F107-Q156 HydrophobicContact CG-CG 4.46Å; F107-Q156 HydrophobicContact CZ-CG 3.54Å; F107-F159 HydrophobicContact CB-CD1 3.95Å; F107-F159 HydrophobicContact CB-CE1 3.9Å; F107-F159 HydrophobicContact CD2-CB 3.73Å; F107-F159 AromaticContact CD2-CD1 3.72Å; F107-F159 HydrophobicContact CD2-CD1 3.72Å; F107-F159 HydrophobicContact CD2-CD2 4.34Å; F107-F159 HydrophobicContact CD2-CE1 4.38Å; F107-F159 AromaticContact CD2-CG 3.68Å; F107-F159 HydrophobicContact CD2-CG 3.68Å; F107-F159 HydrophobicContact CE2-CB 4.05Å; F107-F159 HydrophobicContact CE2-CG 4.39Å; F107-F159 HydrophobicContact CG-CD1 4.35Å
108	R	91.9	Very high	89.6	Confident	155 Å²	155	65.3 Å²	65.3	59%	0.585	33%	0.33	S	S	*	.	H	α-helix	trans	-77.8	-3.3	179.5	-77.1	176.9	-72.8	-176.3	-4.1	114.6	M104 K105 A106	M104-R108 VanDerWaalsContact O-CZ 3.25Å; M104-R108 PolarHBondContact O-NE 3.38Å; M104-R108 PolarHBondContact O-NH2 2.88Å; K105-R108 PolarHBondContact O-N 3.26Å; A106-R108 VanDerWaalsContact C-N 3.26Å; A106-R108 PolarHBondContact O-N 2.81Å
109	L	90	Very high	90.3	Very high	127 Å²	127	61.8 Å²	61.8	67%	0.665	31%	0.312	S	S	*	.	H	α-helix	trans	-88.1	-20.4	164.7	-61.8	175.6	0	0	0	111.7	K105 A106 F107 R125	K105-L109 PolarHBondContact O-N 3.43Å; A106-L109 WeakPolarHBondContact O-CA 3.35Å; A106-L109 WeakPolarHBondContact O-CB 3.22Å; A106-L109 PolarHBondContact O-N 3.15Å; F107-L109 VanDerWaalsContact C-N 3.27Å; F107-L109 PolarHBondContact O-N 2.9Å; L109-R125 PolarHBondContact O-NH2 3.02Å
110	F	92.1	Very high	91.1	Very high	48 Å²	48	60.3 Å²	60.3	21%	0.211	30%	0.301	C	S	.	.	H	α-helix	trans	-85.7	-56.4	169.5	-70.8	-86.6	0	0	0	111.2	A106 F107 D112 I118 N122 L123 R125 V126 F159	A106-F110 WeakPolarHBondContact O-CD2 3.35Å; A106-F110 PolarHBondContact O-N 3.39Å; F107-F110 WeakPolarHBondContact O-CB 3.22Å; F107-F110 PolarHBondContact O-N 2.91Å; F107-F110 VanDerWaalsContact O-N 3.07Å; F110-D112 VanDerWaalsContact C-N 3.28Å; F110-D112 PolarHBondContact O-N 3.36Å; F110-I118 HydrophobicContact CB-CD1 3.62Å; F110-I118 HydrophobicContact CB-CG1 3.76Å; F110-I118 HydrophobicContact CB-CG2 4.03Å; F110-I118 HydrophobicContact CD2-CD1 4.34Å; F110-I118 HydrophobicContact CG-CD1 4.09Å; F110-N122 VanDerWaalsContact O-CB 3.31Å; F110-N122 WeakPolarHBondContact O-CB 3.43Å; F110-N122 PolarHBondContact O-ND2 3.43Å; F110-L123 HydrophobicContact CD1-CD2 3.88Å; F110-L123 HydrophobicContact CE1-CD2 3.97Å; F110-R125 PolarHBondContact O-NH2 2.79Å; F110-V126 HydrophobicContact CD1-CB 4.03Å; F110-V126 HydrophobicContact CD1-CG1 4.28Å; F110-V126 HydrophobicContact CD1-CG2 3.62Å; F110-V126 HydrophobicContact CE1-CB 3.85Å; F110-V126 HydrophobicContact CE1-CG1 3.69Å; F110-V126 HydrophobicContact CE1-CG2 3.91Å; F110-V126 HydrophobicContact CG-CG2 4.33Å; F110-V126 HydrophobicContact CZ-CG1 4.2Å; F110-F159 HydrophobicContact CD2-CE2 4.02Å; F110-F159 AromaticContact CD2-CZ 3.93Å; F110-F159 HydrophobicContact CD2-CZ 3.93Å; F110-F159 HydrophobicContact CE2-CE2 4.1Å; F110-F159 AromaticContact CE2-CZ 3.96Å; F110-F159 HydrophobicContact CE2-CZ 3.96Å
111	D	94.3	Very high	91.7	Very high	9 Å²	9	60 Å²	60	5%	0.048	30%	0.297	C	S	.	.			trans	-70.3	71	-178.6	-177.5	23.7	0	0	0	112.9	F107 D113 E114 S115 G116 K117	F107-D111 HydrophobicContact CD1-CB 4.14Å; F107-D111 HydrophobicContact CE1-CB 3.76Å; F107-D111 HydrophobicContact CZ-CB 4.49Å; F107-D111 PolarHBondContact O-N 3.35Å; D111-D113 PolarHBondContact O-N 3.3Å; D111-E114 PolarHBondContact O-N 3.24Å; D111-E114 PolarHBondContact OD1-N 2.93Å; D111-S115 WeakPolarHBondContact OD1-CB 3.46Å; D111-S115 PolarHBondContact OD1-N 3.05Å; D111-S115 PolarHBondContact OD1-OG 3.36Å; D111-S115 PolarHBondContact OD2-N 2.86Å; D111-G116 WeakPolarHBondContact OD2-CA 3.35Å; D111-G116 PolarHBondContact OD2-N 3.02Å; D111-K117 VanDerWaalsContact CG-O 3.32Å
112	D	91.4	Very high	92.2	Very high	75 Å²	75	54.4 Å²	54.4	40%	0.401	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.2	-176.7	53.8	-83	0	0	0	115.5	F110 R121 N122 R125	F110-D112 VanDerWaalsContact C-N 3.28Å; F110-D112 PolarHBondContact O-N 3.36Å; D112-R121 IonicContact OD1-NH2 3.85Å; D112-R121 IonicContact OD2-CZ 2.7Å; D112-R121 IonicContact OD2-NH2 2.82Å; D112-R121 PolarHBondContact OD2-NH2 3.09Å; D112-N122 PolarHBondContact N-ND2 3.03Å; D112-N122 PolarHBondContact OD1-ND2 3.08Å; D112-R125 IonicContact OD1-CZ 3.73Å; D112-R125 VanDerWaalsContact OD1-CZ 3.32Å; D112-R125 IonicContact OD1-NE 3.64Å; D112-R125 PolarHBondContact OD1-NE 3.3Å; D112-R125 IonicContact OD1-NH2 3.57Å; D112-R125 PolarHBondContact OD1-NH2 3.15Å; D112-R125 IonicContact OD2-NE 3.75Å
113	D	92.6	Very high	92.5	Very high	80 Å²	80	53.1 Å²	53.1	43%	0.428	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	10.8	175.9	53.9	-42.5	0	0	0	114.2	D111 S115 R121 N122	D111-D113 PolarHBondContact O-N 3.3Å; D113-S115 PolarHBondContact O-N 3.35Å; D113-R121 IonicContact OD1-CZ 2.76Å; D113-R121 IonicContact OD1-NH1 3.54Å; D113-R121 PolarHBondContact OD1-NH1 3.1Å; D113-R121 IonicContact OD1-NH2 2.87Å; D113-R121 PolarHBondContact OD1-NH2 3.26Å; D113-R121 IonicContact OD2-CZ 2.76Å; D113-R121 IonicContact OD2-NH1 3.27Å; D113-R121 PolarHBondContact OD2-NH1 3.01Å; D113-R121 IonicContact OD2-NH2 3.31Å; D113-R121 PolarHBondContact OD2-NH2 3.35Å; D113-N122 PolarHBondContact OD1-ND2 3.19Å
114	E	92.2	Very high	92.8	Very high	180 Å²	180	55.4 Å²	55.4	84%	0.841	27%	0.273	S	S	*	.			trans	52.9	34.2	178.5	-56	-171.2	159.3	0	0	113.2	D111 G116	D111-E114 PolarHBondContact O-N 3.24Å; D111-E114 PolarHBondContact OD1-N 2.93Å; E114-G116 VanDerWaalsContact C-N 3.29Å; E114-G116 PolarHBondContact O-N 3.12Å
115	S	94	Very high	93	Very high	61 Å²	61	56.8 Å²	56.8	43%	0.427	28%	0.277	S	S	.	.			trans	-69.3	-25.8	-178	69.1	0	0	0	0	113.1	D111 D113 K117	D111-S115 WeakPolarHBondContact OD1-CB 3.46Å; D111-S115 PolarHBondContact OD1-N 3.05Å; D111-S115 PolarHBondContact OD1-OG 3.36Å; D111-S115 PolarHBondContact OD2-N 2.86Å; D113-S115 PolarHBondContact O-N 3.35Å; S115-K117 VanDerWaalsContact C-N 3.35Å; S115-K117 PolarHBondContact OG-N 3.5Å; S115-K117 VanDerWaalsContact OG-N 3.08Å; S115-K117 PolarHBondContact OG-O 3.14Å
116	G	93.8	Very high	93.1	Very high	25 Å²	25	54.1 Å²	54.1	26%	0.258	27%	0.267	S	S	.	.	S	Bend	trans	86.6	0.7	-170.1	0	0	0	0	0	114.2	F107 D111 E114	F107-G116 WeakPolarHBondContact CZ-O 3.1Å; D111-G116 WeakPolarHBondContact OD2-CA 3.35Å; D111-G116 PolarHBondContact OD2-N 3.02Å; E114-G116 VanDerWaalsContact C-N 3.29Å; E114-G116 PolarHBondContact O-N 3.12Å
117	K	95.4	Very high	93.1	Very high	32 Å²	32	53.1 Å²	53.1	14%	0.139	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	167.7	175.4	-68.7	-153	166.3	-153.7	0	111	D111 S115 D149 D151 E153 I154 N155	D111-K117 VanDerWaalsContact CG-O 3.32Å; S115-K117 VanDerWaalsContact C-N 3.35Å; S115-K117 PolarHBondContact OG-N 3.5Å; S115-K117 VanDerWaalsContact OG-N 3.08Å; S115-K117 PolarHBondContact OG-O 3.14Å; K117-D149 IonicContact NZ-OD1 2.92Å; K117-D149 PolarHBondContact NZ-OD1 3.42Å; K117-D149 IonicContact NZ-OD2 2.73Å; K117-D149 PolarHBondContact NZ-OD2 3.24Å; K117-D151 WeakPolarHBondContact CE-OD2 3.48Å; K117-D151 IonicContact NZ-OD1 3.17Å; K117-D151 PolarHBondContact NZ-OD1 3.07Å; K117-D151 IonicContact NZ-OD2 3.77Å; K117-D151 PolarHBondContact NZ-OD2 3.06Å; K117-E153 HydrophobicContact CB-CB 3.94Å; K117-E153 HydrophobicContact CD-CB 3.79Å; K117-I154 CarbonylContact C-O 3.58Å; K117-I154 WeakPolarHBondContact CA-O 3.33Å; K117-N155 HydrophobicContact CD-CB 4.28Å; K117-N155 HydrophobicContact CG-CB 4.25Å
118	I	95.3	Very high	93	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	104	173.9	-64.3	168.6	0	0	0	108	F107 F110 N122 L123 I154 F159	F107-I118 HydrophobicContact CD2-CD1 3.55Å; F107-I118 HydrophobicContact CD2-CG1 4.11Å; F107-I118 HydrophobicContact CE2-CD1 3.61Å; F107-I118 HydrophobicContact CE2-CG1 3.72Å; F107-I118 HydrophobicContact CG-CD1 4.21Å; F107-I118 HydrophobicContact CZ-CD1 4.31Å; F107-I118 HydrophobicContact CZ-CG1 3.95Å; F110-I118 HydrophobicContact CB-CD1 3.62Å; F110-I118 HydrophobicContact CB-CG1 3.76Å; F110-I118 HydrophobicContact CB-CG2 4.03Å; F110-I118 HydrophobicContact CD2-CD1 4.34Å; F110-I118 HydrophobicContact CG-CD1 4.09Å; I118-N122 HydrophobicContact CG2-CB 4.09Å; I118-L123 HydrophobicContact CG2-CD2 3.69Å; I118-L123 HydrophobicContact CG2-CG 3.86Å; I118-I154 HydrophobicContact CB-CB 4.31Å; I118-I154 PolarHBondContact N-O 2.95Å; I118-I154 PolarHBondContact O-N 2.9Å; I118-F159 HydrophobicContact CD1-CD2 3.41Å; I118-F159 VanDerWaalsContact CD1-CD2 3.41Å; I118-F159 HydrophobicContact CD1-CE2 3.58Å; I118-F159 HydrophobicContact CD1-CG 4.04Å; I118-F159 HydrophobicContact CD1-CZ 4.33Å
119	S	95	Very high	92.8	Very high	11 Å²	11	60.6 Å²	60.6	8%	0.077	29%	0.292	C	S	.	.			trans	-82.8	166.4	177.8	80.2	0	0	0	0	112.5	R121 N122 L123 E153	S119-R121 PolarHBondContact O-N 3.2Å; S119-R121 VanDerWaalsContact OG-CB 3.3Å; S119-R121 WeakPolarHBondContact OG-CB 3.08Å; S119-R121 PolarHBondContact OG-N 3.35Å; S119-R121 VanDerWaalsContact OG-N 3.08Å; S119-N122 WeakPolarHBondContact CA-OD1 3.11Å; S119-N122 VanDerWaalsContact CB-OD1 3.3Å; S119-N122 WeakPolarHBondContact CB-OD1 3.49Å; S119-N122 PolarHBondContact N-OD1 2.65Å; S119-N122 WeakPolarHBondContact O-CB 3.3Å; S119-N122 PolarHBondContact O-N 2.7Å; S119-N122 PolarHBondContact OG-N 2.85Å; S119-N122 PolarHBondContact OG-OD1 2.84Å; S119-L123 PolarHBondContact O-N 3.11Å; S119-L123 VanDerWaalsContact O-N 3.15Å; S119-E153 WeakPolarHBondContact CB-OE1 3.3Å
120	L	94.3	Very high	92.6	Very high	28 Å²	28	60.8 Å²	60.8	15%	0.147	29%	0.293	C	S	.	.	H	α-helix	trans	-52.4	-27.2	168	-173.6	65.2	0	0	0	113.1	R124 L139 R140 I143	L120-R124 VanDerWaalsContact O-CB 3.28Å; L120-R124 WeakPolarHBondContact O-CB 3.36Å; L120-R124 PolarHBondContact O-N 3.41Å; L120-R124 VanDerWaalsContact O-N 3.14Å; L120-L139 HydrophobicContact CD1-CB 3.5Å; L120-L139 VanDerWaalsContact CD1-CB 3.5Å; L120-R140 HydrophobicContact CD1-CG 3.95Å; L120-R140 HydrophobicContact CD2-CG 3.82Å; L120-I143 HydrophobicContact CB-CD1 3.93Å; L120-I143 HydrophobicContact CD1-CD1 4.2Å
121	R	95.1	Very high	92.4	Very high	102 Å²	102	61.6 Å²	61.6	39%	0.385	32%	0.315	S	S	.	.	H	α-helix	trans	-69.6	-43.1	176.1	-164.3	-158	79.3	-121.4	4.3	111.4	D112 D113 S119 R125	D112-R121 IonicContact OD1-NH2 3.85Å; D112-R121 IonicContact OD2-CZ 2.7Å; D112-R121 IonicContact OD2-NH2 2.82Å; D112-R121 PolarHBondContact OD2-NH2 3.09Å; D113-R121 IonicContact OD1-CZ 2.76Å; D113-R121 IonicContact OD1-NH1 3.54Å; D113-R121 PolarHBondContact OD1-NH1 3.1Å; D113-R121 IonicContact OD1-NH2 2.87Å; D113-R121 PolarHBondContact OD1-NH2 3.26Å; D113-R121 IonicContact OD2-CZ 2.76Å; D113-R121 IonicContact OD2-NH1 3.27Å; D113-R121 PolarHBondContact OD2-NH1 3.01Å; D113-R121 IonicContact OD2-NH2 3.31Å; D113-R121 PolarHBondContact OD2-NH2 3.35Å; S119-R121 PolarHBondContact O-N 3.2Å; S119-R121 VanDerWaalsContact OG-CB 3.3Å; S119-R121 WeakPolarHBondContact OG-CB 3.08Å; S119-R121 PolarHBondContact OG-N 3.35Å; S119-R121 VanDerWaalsContact OG-N 3.08Å; R121-R125 PolarHBondContact O-N 3.12Å; R121-R125 VanDerWaalsContact O-N 3.08Å
122	N	94.5	Very high	92.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.1	-48.3	-179.5	-56.6	99.2	0	0	0	110.2	F110 D112 D113 I118 S119 R124 R125 V126	F110-N122 VanDerWaalsContact O-CB 3.31Å; F110-N122 WeakPolarHBondContact O-CB 3.43Å; F110-N122 PolarHBondContact O-ND2 3.43Å; D112-N122 PolarHBondContact N-ND2 3.03Å; D112-N122 PolarHBondContact OD1-ND2 3.08Å; D113-N122 PolarHBondContact OD1-ND2 3.19Å; I118-N122 HydrophobicContact CG2-CB 4.09Å; S119-N122 WeakPolarHBondContact CA-OD1 3.11Å; S119-N122 VanDerWaalsContact CB-OD1 3.3Å; S119-N122 WeakPolarHBondContact CB-OD1 3.49Å; S119-N122 PolarHBondContact N-OD1 2.65Å; S119-N122 WeakPolarHBondContact O-CB 3.3Å; S119-N122 PolarHBondContact O-N 2.7Å; S119-N122 PolarHBondContact OG-N 2.85Å; S119-N122 PolarHBondContact OG-OD1 2.84Å; N122-R124 PolarHBondContact O-N 2.9Å; N122-R125 WeakPolarHBondContact O-CB 3.39Å; N122-R125 PolarHBondContact O-N 3.42Å; N122-R125 VanDerWaalsContact O-N 3.16Å; N122-V126 PolarHBondContact O-N 3.12Å; N122-V126 VanDerWaalsContact O-N 3.09Å
123	L	92.7	Very high	92	Very high	24 Å²	24	70.9 Å²	70.9	13%	0.126	36%	0.361	C	S	.	.	H	α-helix	trans	-59.3	-45.9	175.9	-65	-178.7	0	0	0	112.3	F110 I118 S119 R125 V126 A127 L139 I143	F110-L123 HydrophobicContact CD1-CD2 3.88Å; F110-L123 HydrophobicContact CE1-CD2 3.97Å; I118-L123 HydrophobicContact CG2-CD2 3.69Å; I118-L123 HydrophobicContact CG2-CG 3.86Å; S119-L123 PolarHBondContact O-N 3.11Å; S119-L123 VanDerWaalsContact O-N 3.15Å; L123-R125 VanDerWaalsContact C-N 3.25Å; L123-R125 PolarHBondContact O-N 2.78Å; L123-V126 PolarHBondContact O-N 3.03Å; L123-A127 WeakPolarHBondContact O-CB 3.26Å; L123-A127 PolarHBondContact O-N 2.76Å; L123-L139 HydrophobicContact CB-CD2 4.24Å; L123-I143 HydrophobicContact CD1-CD1 3.99Å; L123-I143 HydrophobicContact CD1-CG1 3.68Å
124	R	93.1	Very high	91.9	Very high	66 Å²	66	69.8 Å²	69.8	25%	0.249	35%	0.354	C	S	.	.	H	α-helix	trans	-63	-30.6	177.9	-166.3	-162.7	-68.2	122.1	-6.7	112.6	L120 N122 R128 D136 L139	L120-R124 VanDerWaalsContact O-CB 3.28Å; L120-R124 WeakPolarHBondContact O-CB 3.36Å; L120-R124 PolarHBondContact O-N 3.41Å; L120-R124 VanDerWaalsContact O-N 3.14Å; N122-R124 PolarHBondContact O-N 2.9Å; R124-R128 WeakPolarHBondContact O-CD 3.04Å; R124-R128 VanDerWaalsContact O-CG 3.28Å; R124-R128 WeakPolarHBondContact O-CG 3.14Å; R124-R128 PolarHBondContact O-N 3.07Å; R124-D136 IonicContact CZ-OD1 2.78Å; R124-D136 VanDerWaalsContact CZ-OD1 3.24Å; R124-D136 IonicContact CZ-OD2 3.85Å; R124-D136 IonicContact NE-OD1 3.39Å; R124-D136 PolarHBondContact NE-OD1 2.82Å; R124-D136 IonicContact NE-OD2 3.52Å; R124-D136 IonicContact NH2-OD1 2.81Å; R124-D136 PolarHBondContact NH2-OD1 2.79Å; R124-D136 IonicContact NH2-OD2 3.19Å; R124-D136 PolarHBondContact NH2-OD2 3.37Å; R124-L139 HydrophobicContact CB-CD1 3.83Å; R124-L139 HydrophobicContact CG-CD1 4.1Å
125	R	93.8	Very high	92	Very high	60 Å²	60	63.2 Å²	63.2	23%	0.226	33%	0.328	C	S	.	.	H	α-helix	trans	-66.9	-54.1	173	179.7	-175	59	73.7	2	110.2	L109 F110 D112 R121 N122 L123 A127 R128 E129	L109-R125 PolarHBondContact O-NH2 3.02Å; F110-R125 PolarHBondContact O-NH2 2.79Å; D112-R125 IonicContact OD1-CZ 3.73Å; D112-R125 VanDerWaalsContact OD1-CZ 3.32Å; D112-R125 IonicContact OD1-NE 3.64Å; D112-R125 PolarHBondContact OD1-NE 3.3Å; D112-R125 IonicContact OD1-NH2 3.57Å; D112-R125 PolarHBondContact OD1-NH2 3.15Å; D112-R125 IonicContact OD2-NE 3.75Å; R121-R125 PolarHBondContact O-N 3.12Å; R121-R125 VanDerWaalsContact O-N 3.08Å; N122-R125 WeakPolarHBondContact O-CB 3.39Å; N122-R125 PolarHBondContact O-N 3.42Å; N122-R125 VanDerWaalsContact O-N 3.16Å; L123-R125 VanDerWaalsContact C-N 3.25Å; L123-R125 PolarHBondContact O-N 2.78Å; R125-A127 PolarHBondContact O-N 2.99Å; R125-R128 PolarHBondContact O-N 2.97Å; R125-R128 VanDerWaalsContact O-N 3.14Å; R125-E129 WeakPolarHBondContact CD-OE1 3.37Å; R125-E129 HydrophobicContact CG-CG 4.5Å; R125-E129 WeakPolarHBondContact CG-OE1 3.48Å; R125-E129 IonicContact CZ-OE1 2.62Å; R125-E129 IonicContact NE-OE1 2.74Å; R125-E129 IonicContact NH1-OE1 2.79Å; R125-E129 PolarHBondContact NH1-OE1 3.17Å; R125-E129 IonicContact NH1-OE2 3.15Å; R125-E129 PolarHBondContact NH1-OE2 2.86Å; R125-E129 PolarHBondContact O-N 3.23Å
126	V	91.8	Very high	92	Very high	21 Å²	21	63 Å²	63	13%	0.127	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-41.9	-176.8	177	0	0	0	0	112	F110 N122 L123 R128 E129 L130	F110-V126 HydrophobicContact CD1-CB 4.03Å; F110-V126 HydrophobicContact CD1-CG1 4.28Å; F110-V126 HydrophobicContact CD1-CG2 3.62Å; F110-V126 HydrophobicContact CE1-CB 3.85Å; F110-V126 HydrophobicContact CE1-CG1 3.69Å; F110-V126 HydrophobicContact CE1-CG2 3.91Å; F110-V126 HydrophobicContact CG-CG2 4.33Å; F110-V126 HydrophobicContact CZ-CG1 4.2Å; N122-V126 PolarHBondContact O-N 3.12Å; N122-V126 VanDerWaalsContact O-N 3.09Å; L123-V126 PolarHBondContact O-N 3.03Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.23Å; V126-E129 PolarHBondContact O-N 2.84Å; V126-E129 VanDerWaalsContact O-N 3.11Å; V126-L130 HydrophobicContact CG1-CD1 4.08Å; V126-L130 HydrophobicContact CG1-CG 4.39Å; V126-L130 WeakPolarHBondContact O-CG 3.49Å; V126-L130 PolarHBondContact O-N 3.21Å
127	A	89.9	Confident	92	Very high	10 Å²	10	67.5 Å²	67.5	8%	0.083	34%	0.337	C	S	.	.	H	α-helix	trans	-55.5	-43	174.8	0	0	0	0	0	112.2	L123 R125 L130 G131 E132 I134	L123-A127 WeakPolarHBondContact O-CB 3.26Å; L123-A127 PolarHBondContact O-N 2.76Å; R125-A127 PolarHBondContact O-N 2.99Å; A127-L130 PolarHBondContact O-N 3.04Å; A127-G131 PolarHBondContact O-N 2.89Å; A127-G131 VanDerWaalsContact O-N 3.13Å; A127-E132 PolarHBondContact O-N 3Å; A127-I134 HydrophobicContact CB-CD1 4.13Å; A127-I134 HydrophobicContact CB-CG1 4.45Å
128	R	89.3	Confident	91.9	Very high	185 Å²	185	71 Å²	71	70%	0.698	35%	0.353	S	S	*	.	H	α-helix	trans	-70.3	-32.5	177.1	-70.9	173.2	176.7	-164.6	-1.2	113.7	R124 R125 V126 L130 G131	R124-R128 WeakPolarHBondContact O-CD 3.04Å; R124-R128 VanDerWaalsContact O-CG 3.28Å; R124-R128 WeakPolarHBondContact O-CG 3.14Å; R124-R128 PolarHBondContact O-N 3.07Å; R125-R128 PolarHBondContact O-N 2.97Å; R125-R128 VanDerWaalsContact O-N 3.14Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.23Å; R128-L130 VanDerWaalsContact C-N 3.34Å; R128-G131 PolarHBondContact O-N 3.35Å
129	E	88.4	Confident	91.8	Very high	128 Å²	128	71.1 Å²	71.1	60%	0.598	35%	0.354	S	S	*	.	H	α-helix	trans	-69.7	-33	174.9	-73	170.7	-169.6	0	0	111.8	R125 V126 G131	R125-E129 WeakPolarHBondContact CD-OE1 3.37Å; R125-E129 HydrophobicContact CG-CG 4.5Å; R125-E129 WeakPolarHBondContact CG-OE1 3.48Å; R125-E129 IonicContact CZ-OE1 2.62Å; R125-E129 IonicContact NE-OE1 2.74Å; R125-E129 IonicContact NH1-OE1 2.79Å; R125-E129 PolarHBondContact NH1-OE1 3.17Å; R125-E129 IonicContact NH1-OE2 3.15Å; R125-E129 PolarHBondContact NH1-OE2 2.86Å; R125-E129 PolarHBondContact O-N 3.23Å; V126-E129 PolarHBondContact O-N 2.84Å; V126-E129 VanDerWaalsContact O-N 3.11Å; E129-G131 VanDerWaalsContact C-N 3.29Å
130	L	86	Confident	91.7	Very high	131 Å²	131	76.6 Å²	76.6	69%	0.686	37%	0.373	S	S	*	.	H	α-helix	trans	-76.6	-13	171	-63.8	174.2	0	0	0	113.4	V126 A127 R128 E132	V126-L130 HydrophobicContact CG1-CD1 4.08Å; V126-L130 HydrophobicContact CG1-CG 4.39Å; V126-L130 WeakPolarHBondContact O-CG 3.49Å; V126-L130 PolarHBondContact O-N 3.21Å; A127-L130 PolarHBondContact O-N 3.04Å; R128-L130 VanDerWaalsContact C-N 3.34Å; L130-E132 VanDerWaalsContact C-N 3.35Å; L130-E132 HydrophobicContact CB-CG 4.39Å
131	G	88.4	Confident	91.6	Very high	64 Å²	64	78.5 Å²	78.5	66%	0.66	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	6.2	-176.4	0	0	0	0	0	114.7	A127 R128 E129	A127-G131 PolarHBondContact O-N 2.89Å; A127-G131 VanDerWaalsContact O-N 3.13Å; R128-G131 PolarHBondContact O-N 3.35Å; E129-G131 VanDerWaalsContact C-N 3.29Å
132	E	87.8	Confident	91.4	Very high	121 Å²	121	77.7 Å²	77.7	57%	0.565	39%	0.39	S	S	*	.			trans	-80.3	133.6	-178.5	-71.2	-62.2	165.5	0	0	112.2	A127 L130 I134	A127-E132 PolarHBondContact O-N 3Å; L130-E132 VanDerWaalsContact C-N 3.35Å; L130-E132 HydrophobicContact CB-CG 4.39Å; E132-I134 HydrophobicContact CB-CD1 4.27Å; E132-I134 HydrophobicContact CB-CG1 4.07Å; E132-I134 PolarHBondContact O-N 3.47Å
133	N	88.3	Confident	91.3	Very high	159 Å²	159	77.9 Å²	77.9	85%	0.85	39%	0.391	S	S	*	.			trans	-101.3	63.9	-176	-172.6	82.9	0	0	0	111.5
134	I	91.4	Very high	91.2	Very high	57 Å²	57	82.3 Å²	82.3	29%	0.292	42%	0.415	S	S	.	.			trans	-83.9	139	178.2	-45.9	178.3	0	0	0	109.8	A127 E132 E138 L139 M142	A127-I134 HydrophobicContact CB-CD1 4.13Å; A127-I134 HydrophobicContact CB-CG1 4.45Å; E132-I134 HydrophobicContact CB-CD1 4.27Å; E132-I134 HydrophobicContact CB-CG1 4.07Å; E132-I134 PolarHBondContact O-N 3.47Å; I134-E138 HydrophobicContact CG2-CB 3.58Å; I134-L139 HydrophobicContact CB-CD2 4.08Å; I134-L139 HydrophobicContact CB-CG 4.17Å; I134-L139 HydrophobicContact CD1-CD2 4.21Å; I134-L139 HydrophobicContact CG2-CD2 3.76Å; I134-L139 HydrophobicContact CG2-CG 3.77Å; I134-M142 HydrophobicContact CD1-CE 4.28Å; I134-M142 HydrophobicContact CG2-CE 4.34Å
135	S	94.3	Very high	91	Very high	42 Å²	42	84 Å²	84	29%	0.294	43%	0.433	S	S	.	.			trans	-76.7	160.8	177.8	65.3	0	0	0	0	113.4	E137 E138 L139	S135-E137 PolarHBondContact O-N 2.97Å; S135-E138 VanDerWaalsContact CB-OE2 3.25Å; S135-E138 WeakPolarHBondContact CB-OE2 3.41Å; S135-E138 PolarHBondContact N-OE2 3.08Å; S135-E138 PolarHBondContact O-N 3.15Å; S135-E138 WeakPolarHBondContact OG-CB 3.47Å; S135-E138 VanDerWaalsContact OG-CD 3.23Å; S135-E138 VanDerWaalsContact OG-CG 3.25Å; S135-E138 WeakPolarHBondContact OG-CG 3.43Å; S135-E138 PolarHBondContact OG-N 3.38Å; S135-E138 VanDerWaalsContact OG-N 3.15Å; S135-E138 PolarHBondContact OG-OE2 2.79Å; S135-L139 WeakPolarHBondContact O-CB 3.43Å; S135-L139 VanDerWaalsContact O-CG 3.31Å; S135-L139 WeakPolarHBondContact O-CG 3.19Å; S135-L139 PolarHBondContact O-N 3Å
136	D	93.4	Very high	90.7	Very high	55 Å²	55	84.4 Å²	84.4	29%	0.294	44%	0.436	S	S	.	.	H	α-helix	trans	-64.3	-29.7	174.6	-86.3	2.6	0	0	0	112	R124 R140	R124-D136 IonicContact CZ-OD1 2.78Å; R124-D136 VanDerWaalsContact CZ-OD1 3.24Å; R124-D136 IonicContact CZ-OD2 3.85Å; R124-D136 IonicContact NE-OD1 3.39Å; R124-D136 PolarHBondContact NE-OD1 2.82Å; R124-D136 IonicContact NE-OD2 3.52Å; R124-D136 IonicContact NH2-OD1 2.81Å; R124-D136 PolarHBondContact NH2-OD1 2.79Å; R124-D136 IonicContact NH2-OD2 3.19Å; R124-D136 PolarHBondContact NH2-OD2 3.37Å; D136-R140 WeakPolarHBondContact O-CB 3.19Å; D136-R140 VanDerWaalsContact O-CG 3.26Å; D136-R140 WeakPolarHBondContact O-CG 3.24Å; D136-R140 PolarHBondContact O-N 3.42Å
137	E	94.4	Very high	90.7	Very high	121 Å²	121	84.9 Å²	84.9	57%	0.565	44%	0.438	S	S	*	.	H	α-helix	trans	-69.8	-42.2	175.6	-69.4	67.1	-151.1	0	0	112.2	S135 S141	S135-E137 PolarHBondContact O-N 2.97Å; E137-S141 WeakPolarHBondContact O-CB 3.22Å; E137-S141 PolarHBondContact O-N 3.11Å; E137-S141 PolarHBondContact O-OG 3.2Å
138	E	92.8	Very high	90.7	Very high	105 Å²	105	90 Å²	90	49%	0.491	47%	0.468	S	S	.	.	H	α-helix	trans	-69.2	-44.3	174	-72.8	160.1	135.6	0	0	111.4	I134 S135 R140 S141 M142	I134-E138 HydrophobicContact CG2-CB 3.58Å; S135-E138 VanDerWaalsContact CB-OE2 3.25Å; S135-E138 WeakPolarHBondContact CB-OE2 3.41Å; S135-E138 PolarHBondContact N-OE2 3.08Å; S135-E138 PolarHBondContact O-N 3.15Å; S135-E138 WeakPolarHBondContact OG-CB 3.47Å; S135-E138 VanDerWaalsContact OG-CD 3.23Å; S135-E138 VanDerWaalsContact OG-CG 3.25Å; S135-E138 WeakPolarHBondContact OG-CG 3.43Å; S135-E138 PolarHBondContact OG-N 3.38Å; S135-E138 VanDerWaalsContact OG-N 3.15Å; S135-E138 PolarHBondContact OG-OE2 2.79Å; E138-R140 VanDerWaalsContact C-N 3.28Å; E138-R140 PolarHBondContact O-N 2.8Å; E138-S141 CarbonylContact O-C 3.53Å; E138-S141 WeakPolarHBondContact O-CA 3.04Å; E138-S141 WeakPolarHBondContact O-CB 3.45Å; E138-S141 PolarHBondContact O-N 3.36Å; E138-S141 VanDerWaalsContact O-N 3.07Å; E138-M142 WeakPolarHBondContact O-CG 3.35Å; E138-M142 PolarHBondContact O-N 3.46Å
139	L	92.4	Very high	90.8	Very high	4 Å²	4	85.4 Å²	85.4	2%	0.021	46%	0.457	C	S	.	.	H	α-helix	trans	-64.3	-31.2	176.8	-68.2	176.2	0	0	0	112.7	L120 L123 R124 I134 S135 M142 I143	L120-L139 HydrophobicContact CD1-CB 3.5Å; L120-L139 VanDerWaalsContact CD1-CB 3.5Å; L123-L139 HydrophobicContact CB-CD2 4.24Å; R124-L139 HydrophobicContact CB-CD1 3.83Å; R124-L139 HydrophobicContact CG-CD1 4.1Å; I134-L139 HydrophobicContact CB-CD2 4.08Å; I134-L139 HydrophobicContact CB-CG 4.17Å; I134-L139 HydrophobicContact CD1-CD2 4.21Å; I134-L139 HydrophobicContact CG2-CD2 3.76Å; I134-L139 HydrophobicContact CG2-CG 3.77Å; S135-L139 WeakPolarHBondContact O-CB 3.43Å; S135-L139 VanDerWaalsContact O-CG 3.31Å; S135-L139 WeakPolarHBondContact O-CG 3.19Å; S135-L139 PolarHBondContact O-N 3Å; L139-M142 HydrophobicContact CD2-SD 4.01Å; L139-I143 PolarHBondContact O-N 2.81Å
140	R	93.5	Very high	91	Very high	126 Å²	126	82.3 Å²	82.3	48%	0.475	46%	0.46	S	S	.	.	H	α-helix	trans	-68.3	-45	167.9	-80.3	173.1	176.8	149.6	0.5	111.9	L120 D136 E138 M142 I143 D144	L120-R140 HydrophobicContact CD1-CG 3.95Å; L120-R140 HydrophobicContact CD2-CG 3.82Å; D136-R140 WeakPolarHBondContact O-CB 3.19Å; D136-R140 VanDerWaalsContact O-CG 3.26Å; D136-R140 WeakPolarHBondContact O-CG 3.24Å; D136-R140 PolarHBondContact O-N 3.42Å; E138-R140 VanDerWaalsContact C-N 3.28Å; E138-R140 PolarHBondContact O-N 2.8Å; R140-M142 PolarHBondContact O-N 3.03Å; R140-M142 VanDerWaalsContact O-N 3.16Å; R140-I143 CarbonylContact O-C 3.51Å; R140-I143 WeakPolarHBondContact O-CA 3.32Å; R140-I143 WeakPolarHBondContact O-CB 3.43Å; R140-I143 PolarHBondContact O-N 2.62Å; R140-D144 PolarHBondContact O-N 2.87Å
141	S	92.8	Very high	91.3	Very high	67 Å²	67	80.5 Å²	80.5	47%	0.469	45%	0.451	S	S	.	.	H	α-helix	trans	-60.4	-26.6	177.4	-56.9	0	0	0	0	112.5	E137 E138 V145	E137-S141 WeakPolarHBondContact O-CB 3.22Å; E137-S141 PolarHBondContact O-N 3.11Å; E137-S141 PolarHBondContact O-OG 3.2Å; E138-S141 CarbonylContact O-C 3.53Å; E138-S141 WeakPolarHBondContact O-CA 3.04Å; E138-S141 WeakPolarHBondContact O-CB 3.45Å; E138-S141 PolarHBondContact O-N 3.36Å; E138-S141 VanDerWaalsContact O-N 3.07Å; S141-V145 WeakPolarHBondContact O-CG2 3.35Å
142	M	89.6	Confident	91.5	Very high	86 Å²	86	79 Å²	79	42%	0.424	44%	0.436	S	S	.	.	H	α-helix	trans	-70.9	-35.9	170	-67.8	175.8	-178.8	0	0	112.9	I134 E138 L139 R140 F146	I134-M142 HydrophobicContact CD1-CE 4.28Å; I134-M142 HydrophobicContact CG2-CE 4.34Å; E138-M142 WeakPolarHBondContact O-CG 3.35Å; E138-M142 PolarHBondContact O-N 3.46Å; L139-M142 HydrophobicContact CD2-SD 4.01Å; R140-M142 PolarHBondContact O-N 3.03Å; R140-M142 VanDerWaalsContact O-N 3.16Å; M142-F146 VanDerWaalsContact O-CD2 3.26Å; M142-F146 WeakPolarHBondContact O-CD2 3.16Å
143	I	92.4	Very high	91.9	Very high	4 Å²	4	76.6 Å²	76.6	2%	0.021	42%	0.424	C	S	.	.	H	α-helix	trans	-72	-51.1	174.4	-63.2	170	0	0	0	109.7	L120 L123 L139 R140 V145 F146 D147 I154	L120-I143 HydrophobicContact CB-CD1 3.93Å; L120-I143 HydrophobicContact CD1-CD1 4.2Å; L123-I143 HydrophobicContact CD1-CD1 3.99Å; L123-I143 HydrophobicContact CD1-CG1 3.68Å; L139-I143 PolarHBondContact O-N 2.81Å; R140-I143 CarbonylContact O-C 3.51Å; R140-I143 WeakPolarHBondContact O-CA 3.32Å; R140-I143 WeakPolarHBondContact O-CB 3.43Å; R140-I143 PolarHBondContact O-N 2.62Å; I143-V145 PolarHBondContact O-N 3.42Å; I143-F146 PolarHBondContact O-N 2.81Å; I143-D147 HydrophobicContact CG2-CB 3.95Å; I143-D147 WeakPolarHBondContact O-CB 3.23Å; I143-D147 PolarHBondContact O-N 3.46Å; I143-I154 HydrophobicContact CB-CG1 4.49Å; I143-I154 HydrophobicContact CG1-CD1 4.19Å; I143-I154 HydrophobicContact CG1-CG1 4.25Å; I143-I154 HydrophobicContact CG2-CG1 4.22Å
144	D	91.9	Very high	92.2	Very high	116 Å²	116	69.4 Å²	69.4	62%	0.62	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-13.3	-176.2	-59.8	-20.1	0	0	0	114.3	R140	R140-D144 PolarHBondContact O-N 2.87Å
145	V	88.3	Confident	92.4	Very high	103 Å²	103	68.1 Å²	68.1	62%	0.624	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-25.7	176.3	166.1	0	0	0	0	113	S141 I143	S141-V145 WeakPolarHBondContact O-CG2 3.35Å; I143-V145 PolarHBondContact O-N 3.42Å
146	F	86.5	Confident	92.3	Very high	68 Å²	68	70.1 Å²	70.1	30%	0.298	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-12.4	-173.1	-57.4	-63.5	0	0	0	114.5	M142 I143 T148 E158 I162	M142-F146 VanDerWaalsContact O-CD2 3.26Å; M142-F146 WeakPolarHBondContact O-CD2 3.16Å; I143-F146 PolarHBondContact O-N 2.81Å; F146-T148 PolarHBondContact O-N 2.92Å; F146-E158 WeakPolarHBondContact O-CG 3.5Å; F146-I162 HydrophobicContact CB-CD1 3.69Å; F146-I162 HydrophobicContact CB-CG1 3.86Å; F146-I162 HydrophobicContact CD1-CD1 4.23Å; F146-I162 HydrophobicContact CD1-CG1 3.56Å; F146-I162 HydrophobicContact CD2-CD1 3.51Å; F146-I162 HydrophobicContact CD2-CG1 3.71Å; F146-I162 HydrophobicContact CE1-CG1 3.92Å; F146-I162 HydrophobicContact CE2-CD1 4.13Å; F146-I162 HydrophobicContact CE2-CG1 4.07Å; F146-I162 HydrophobicContact CG-CD1 3.56Å; F146-I162 HydrophobicContact CG-CG1 3.44Å; F146-I162 VanDerWaalsContact CG-CG1 3.44Å; F146-I162 HydrophobicContact CZ-CG1 4.16Å
147	D	92.5	Very high	92.2	Very high	30 Å²	30	75 Å²	75	16%	0.16	41%	0.405	C	S	.	.			trans	-67.2	106.8	166.1	176.8	11.9	0	0	0	109.3	I143 D149 G150 D151 G152	I143-D147 HydrophobicContact CG2-CB 3.95Å; I143-D147 WeakPolarHBondContact O-CB 3.23Å; I143-D147 PolarHBondContact O-N 3.46Å; D147-D149 PolarHBondContact OD1-N 2.69Å; D147-G150 VanDerWaalsContact OD1-CA 3.25Å; D147-G150 WeakPolarHBondContact OD1-CA 3.43Å; D147-G150 PolarHBondContact OD1-N 3.4Å; D147-G150 WeakPolarHBondContact OD2-CA 3.48Å; D147-D151 PolarHBondContact OD1-N 2.89Å; D147-D151 PolarHBondContact OD2-N 2.97Å; D147-G152 WeakPolarHBondContact OD2-CA 3.21Å; D147-G152 PolarHBondContact OD2-N 2.8Å
148	T	90.4	Very high	92.1	Very high	118 Å²	118	69.6 Å²	69.6	72%	0.724	38%	0.38	S	S	*	.	S	Bend	trans	-103	-23.8	-178.9	67.9	0	0	0	0	112.9	F146 E158	F146-T148 PolarHBondContact O-N 2.92Å; T148-E158 WeakPolarHBondContact CA-OE1 3.48Å; T148-E158 WeakPolarHBondContact CB-OE1 3.42Å; T148-E158 HydrophobicContact CG2-CG 4.32Å; T148-E158 PolarHBondContact N-OE1 3.36Å; T148-E158 PolarHBondContact OG1-OE1 3.31Å
149	D	91.7	Very high	92	Very high	88 Å²	88	65.1 Å²	65.1	47%	0.471	36%	0.359	S	S	.	.	S	Bend	trans	-84.4	-21.9	175.8	80.9	47.7	0	0	0	113.2	K117 D147 D151 N155 E158	K117-D149 IonicContact NZ-OD1 2.92Å; K117-D149 PolarHBondContact NZ-OD1 3.42Å; K117-D149 IonicContact NZ-OD2 2.73Å; K117-D149 PolarHBondContact NZ-OD2 3.24Å; D147-D149 PolarHBondContact OD1-N 2.69Å; D149-D151 WeakPolarHBondContact OD1-CB 3.23Å; D149-D151 PolarHBondContact OD1-N 3.02Å; D149-N155 PolarHBondContact OD2-ND2 3.14Å; D149-E158 PolarHBondContact N-OE1 2.64Å; D149-E158 VanDerWaalsContact N-OE1 3.11Å
150	G	92.1	Very high	91.8	Very high	63 Å²	63	66.6 Å²	66.6	65%	0.649	37%	0.367	S	S	*	.	S	Bend	trans	89.1	22.7	168.1	0	0	0	0	0	114.8	D147	D147-G150 VanDerWaalsContact OD1-CA 3.25Å; D147-G150 WeakPolarHBondContact OD1-CA 3.43Å; D147-G150 PolarHBondContact OD1-N 3.4Å; D147-G150 WeakPolarHBondContact OD2-CA 3.48Å
151	D	92.9	Very high	91.5	Very high	93 Å²	93	62.2 Å²	62.2	50%	0.497	36%	0.358	S	S	.	.	S	Bend	trans	-97.4	-4.5	-177.2	89.9	-8.7	0	0	0	115.9	K117 D147 D149 E153	K117-D151 WeakPolarHBondContact CE-OD2 3.48Å; K117-D151 IonicContact NZ-OD1 3.17Å; K117-D151 PolarHBondContact NZ-OD1 3.07Å; K117-D151 IonicContact NZ-OD2 3.77Å; K117-D151 PolarHBondContact NZ-OD2 3.06Å; D147-D151 PolarHBondContact OD1-N 2.89Å; D147-D151 PolarHBondContact OD2-N 2.97Å; D149-D151 WeakPolarHBondContact OD1-CB 3.23Å; D149-D151 PolarHBondContact OD1-N 3.02Å; D151-E153 PolarHBondContact OD1-N 2.89Å
152	G	92.8	Very high	91.1	Very high	34 Å²	34	60.4 Å²	60.4	35%	0.351	34%	0.342	S	S	.	.	S	Bend	trans	88.4	14.1	175.2	0	0	0	0	0	115.2	D147	D147-G152 WeakPolarHBondContact OD2-CA 3.21Å; D147-G152 PolarHBondContact OD2-N 2.8Å
153	E	95.3	Very high	90.8	Very high	69 Å²	69	60 Å²	60	32%	0.322	34%	0.341	S	S	.	.	S	Bend	trans	-139	146.3	174.5	-54.2	-170.8	145.8	0	0	110.7	K117 S119 D151	K117-E153 HydrophobicContact CB-CB 3.94Å; K117-E153 HydrophobicContact CD-CB 3.79Å; S119-E153 WeakPolarHBondContact CB-OE1 3.3Å; D151-E153 PolarHBondContact OD1-N 2.89Å
154	I	95.3	Very high	90.1	Very high	8 Å²	8	63.4 Å²	63.4	4%	0.041	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.9	-176.5	-54.7	170.8	0	0	0	110.1	K117 I118 I143 E158 F159 I162	K117-I154 CarbonylContact C-O 3.58Å; K117-I154 WeakPolarHBondContact CA-O 3.33Å; I118-I154 HydrophobicContact CB-CB 4.31Å; I118-I154 PolarHBondContact N-O 2.95Å; I118-I154 PolarHBondContact O-N 2.9Å; I143-I154 HydrophobicContact CB-CG1 4.49Å; I143-I154 HydrophobicContact CG1-CD1 4.19Å; I143-I154 HydrophobicContact CG1-CG1 4.25Å; I143-I154 HydrophobicContact CG2-CG1 4.22Å; I154-E158 HydrophobicContact CG2-CB 3.78Å; I154-F159 HydrophobicContact CG2-CB 4.06Å; I154-I162 HydrophobicContact CD1-CD1 4.17Å; I154-I162 HydrophobicContact CG2-CD1 4.06Å
155	N	94.7	Very high	88.9	Confident	30 Å²	30	65.2 Å²	65.2	16%	0.16	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	174.5	179.9	81.7	46.1	0	0	0	113.1	K117 D149 E157 E158 F159	K117-N155 HydrophobicContact CD-CB 4.28Å; K117-N155 HydrophobicContact CG-CB 4.25Å; D149-N155 PolarHBondContact OD2-ND2 3.14Å; N155-E157 VanDerWaalsContact C-N 3.31Å; N155-E157 PolarHBondContact O-N 3.07Å; N155-E157 WeakPolarHBondContact OD1-CA 3.42Å; N155-E157 PolarHBondContact OD1-N 3.14Å; N155-E158 VanDerWaalsContact CG-CD 3.47Å; N155-E158 PolarHBondContact N-OE2 2.86Å; N155-E158 PolarHBondContact ND2-OE1 2.82Å; N155-E158 PolarHBondContact ND2-OE2 2.83Å; N155-E158 PolarHBondContact O-N 3.18Å; N155-E158 PolarHBondContact OD1-N 2.98Å; N155-E158 VanDerWaalsContact OD1-N 3.09Å; N155-F159 WeakPolarHBondContact O-CB 3.37Å; N155-F159 PolarHBondContact O-N 2.9Å
156	Q	92.3	Very high	87.1	Confident	85 Å²	85	67.2 Å²	67.2	40%	0.397	37%	0.374	S	S	.	.	H	α-helix	trans	-67.6	-24.8	-175.8	-66.3	-177	12.1	0	0	114.8	M104 F107 L160	M104-Q156 HydrophobicContact CE-CB 4.34Å; M104-Q156 VanDerWaalsContact CE-CD 3.49Å; M104-Q156 HydrophobicContact CE-CG 3.93Å; M104-Q156 VanDerWaalsContact CE-OE1 3.29Å; M104-Q156 HydrophobicContact SD-CB 4.47Å; F107-Q156 HydrophobicContact CD1-CG 4.25Å; F107-Q156 HydrophobicContact CD2-CG 4.23Å; F107-Q156 HydrophobicContact CE1-CG 3.79Å; F107-Q156 HydrophobicContact CE2-CB 4.38Å; F107-Q156 HydrophobicContact CE2-CG 3.77Å; F107-Q156 HydrophobicContact CG-CG 4.46Å; F107-Q156 HydrophobicContact CZ-CG 3.54Å; Q156-L160 WeakPolarHBondContact O-CB 3.38Å; Q156-L160 PolarHBondContact O-N 2.64Å
157	E	91.1	Very high	85.1	Confident	157 Å²	157	71.4 Å²	71.4	73%	0.734	41%	0.411	S	S	*	.	H	α-helix	trans	-84.1	-36.8	178.2	-55.9	-161.1	150.3	0	0	110.5	N155 L160 A161	N155-E157 VanDerWaalsContact C-N 3.31Å; N155-E157 PolarHBondContact O-N 3.07Å; N155-E157 WeakPolarHBondContact OD1-CA 3.42Å; N155-E157 PolarHBondContact OD1-N 3.14Å; E157-L160 WeakPolarHBondContact O-CB 3.49Å; E157-L160 PolarHBondContact O-N 2.7Å; E157-A161 PolarHBondContact O-N 2.7Å
158	E	92.2	Very high	84.7	Confident	8 Å²	8	73.5 Å²	73.5	4%	0.037	42%	0.424	C	S	.	.	H	α-helix	trans	-66.6	-46.2	173	-67.5	162.6	162.7	0	0	111.8	F146 T148 D149 I154 N155 L160 A161 I162	F146-E158 WeakPolarHBondContact O-CG 3.5Å; T148-E158 WeakPolarHBondContact CA-OE1 3.48Å; T148-E158 WeakPolarHBondContact CB-OE1 3.42Å; T148-E158 HydrophobicContact CG2-CG 4.32Å; T148-E158 PolarHBondContact N-OE1 3.36Å; T148-E158 PolarHBondContact OG1-OE1 3.31Å; D149-E158 PolarHBondContact N-OE1 2.64Å; D149-E158 VanDerWaalsContact N-OE1 3.11Å; I154-E158 HydrophobicContact CG2-CB 3.78Å; N155-E158 VanDerWaalsContact CG-CD 3.47Å; N155-E158 PolarHBondContact N-OE2 2.86Å; N155-E158 PolarHBondContact ND2-OE1 2.82Å; N155-E158 PolarHBondContact ND2-OE2 2.83Å; N155-E158 PolarHBondContact O-N 3.18Å; N155-E158 PolarHBondContact OD1-N 2.98Å; N155-E158 VanDerWaalsContact OD1-N 3.09Å; E158-L160 PolarHBondContact O-N 2.76Å; E158-A161 WeakPolarHBondContact O-CA 3.43Å; E158-A161 WeakPolarHBondContact O-CB 3.49Å; E158-A161 PolarHBondContact O-N 2.62Å; E158-I162 WeakPolarHBondContact O-CG1 3.35Å; E158-I162 PolarHBondContact O-N 3.41Å
159	F	91.1	Very high	84.4	Confident	10 Å²	10	71.2 Å²	71.2	4%	0.044	41%	0.408	C	S	.	.	H	α-helix	trans	-63.3	-28.6	174.5	-170.4	-94.8	0	0	0	112.6	I103 A106 F107 F110 I118 I154 N155 M163	I103-F159 HydrophobicContact CG2-CD1 3.89Å; I103-F159 HydrophobicContact CG2-CE1 4.02Å; A106-F159 HydrophobicContact CB-CE1 4.25Å; A106-F159 HydrophobicContact CB-CZ 4.32Å; F107-F159 HydrophobicContact CB-CD1 3.95Å; F107-F159 HydrophobicContact CB-CE1 3.9Å; F107-F159 HydrophobicContact CD2-CB 3.73Å; F107-F159 AromaticContact CD2-CD1 3.72Å; F107-F159 HydrophobicContact CD2-CD1 3.72Å; F107-F159 HydrophobicContact CD2-CD2 4.34Å; F107-F159 HydrophobicContact CD2-CE1 4.38Å; F107-F159 AromaticContact CD2-CG 3.68Å; F107-F159 HydrophobicContact CD2-CG 3.68Å; F107-F159 HydrophobicContact CE2-CB 4.05Å; F107-F159 HydrophobicContact CE2-CG 4.39Å; F107-F159 HydrophobicContact CG-CD1 4.35Å; F110-F159 HydrophobicContact CD2-CE2 4.02Å; F110-F159 AromaticContact CD2-CZ 3.93Å; F110-F159 HydrophobicContact CD2-CZ 3.93Å; F110-F159 HydrophobicContact CE2-CE2 4.1Å; F110-F159 AromaticContact CE2-CZ 3.96Å; F110-F159 HydrophobicContact CE2-CZ 3.96Å; I118-F159 HydrophobicContact CD1-CD2 3.41Å; I118-F159 VanDerWaalsContact CD1-CD2 3.41Å; I118-F159 HydrophobicContact CD1-CE2 3.58Å; I118-F159 HydrophobicContact CD1-CG 4.04Å; I118-F159 HydrophobicContact CD1-CZ 4.33Å; I154-F159 HydrophobicContact CG2-CB 4.06Å; N155-F159 WeakPolarHBondContact O-CB 3.37Å; N155-F159 PolarHBondContact O-N 2.9Å; F159-M163 HydrophobicContact CD1-CG 4.18Å; F159-M163 HydrophobicContact CE1-CE 4.23Å; F159-M163 HydrophobicContact CE1-CG 3.93Å; F159-M163 HydrophobicContact CE2-CE 3.96Å; F159-M163 HydrophobicContact CZ-CE 3.64Å; F159-M163 HydrophobicContact CZ-CG 4.27Å; F159-M163 WeakPolarHBondContact O-CB 3.45Å; F159-M163 VanDerWaalsContact O-CG 3.28Å; F159-M163 WeakPolarHBondContact O-CG 3.09Å; F159-M163 PolarHBondContact O-N 3.43Å; F159-M163 VanDerWaalsContact O-N 3.17Å
160	L	88.6	Confident	84	Confident	35 Å²	35	70.2 Å²	70.2	18%	0.183	41%	0.405	C	S	.	.	H	α-helix	trans	-72.6	-34.6	171.9	-176.8	63.5	0	0	0	111.9	K100 I103 Q156 E157 E158 T164	K100-L160 HydrophobicContact CD-CD2 3.98Å; K100-L160 HydrophobicContact CG-CD1 4.39Å; K100-L160 VanDerWaalsContact NZ-CD2 3.34Å; I103-L160 HydrophobicContact CB-CD1 4.37Å; I103-L160 HydrophobicContact CD1-CD1 3.78Å; I103-L160 HydrophobicContact CG2-CD1 3.93Å; Q156-L160 WeakPolarHBondContact O-CB 3.38Å; Q156-L160 PolarHBondContact O-N 2.64Å; E157-L160 WeakPolarHBondContact O-CB 3.49Å; E157-L160 PolarHBondContact O-N 2.7Å; E158-L160 PolarHBondContact O-N 2.76Å; L160-T164 HydrophobicContact CD1-CG2 4.13Å; L160-T164 WeakPolarHBondContact O-CB 3.03Å; L160-T164 WeakPolarHBondContact O-CG2 3.27Å; L160-T164 PolarHBondContact O-N 3.12Å; L160-T164 PolarHBondContact O-OG1 2.81Å
161	A	86.7	Confident	83.6	Confident	35 Å²	35	70.6 Å²	70.6	29%	0.289	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-51.5	172.2	0	0	0	0	0	111	E157 E158 M163 T164 E165	E157-A161 PolarHBondContact O-N 2.7Å; E158-A161 WeakPolarHBondContact O-CA 3.43Å; E158-A161 WeakPolarHBondContact O-CB 3.49Å; E158-A161 PolarHBondContact O-N 2.62Å; A161-M163 VanDerWaalsContact C-N 3.26Å; A161-M163 PolarHBondContact O-N 2.8Å; A161-T164 CarbonylContact O-C 3.57Å; A161-T164 PolarHBondContact O-N 3.12Å; A161-E165 PolarHBondContact O-N 3.35Å
162	I	85.1	Confident	83	Confident	28 Å²	28	69.3 Å²	69.3	14%	0.144	38%	0.384	C	S	.	.	H	α-helix	trans	-46.3	-52.7	173	-63.4	171.9	0	0	0	110.6	F146 I154 E158 T164	F146-I162 HydrophobicContact CB-CD1 3.69Å; F146-I162 HydrophobicContact CB-CG1 3.86Å; F146-I162 HydrophobicContact CD1-CD1 4.23Å; F146-I162 HydrophobicContact CD1-CG1 3.56Å; F146-I162 HydrophobicContact CD2-CD1 3.51Å; F146-I162 HydrophobicContact CD2-CG1 3.71Å; F146-I162 HydrophobicContact CE1-CG1 3.92Å; F146-I162 HydrophobicContact CE2-CD1 4.13Å; F146-I162 HydrophobicContact CE2-CG1 4.07Å; F146-I162 HydrophobicContact CG-CD1 3.56Å; F146-I162 HydrophobicContact CG-CG1 3.44Å; F146-I162 VanDerWaalsContact CG-CG1 3.44Å; F146-I162 HydrophobicContact CZ-CG1 4.16Å; I154-I162 HydrophobicContact CD1-CD1 4.17Å; I154-I162 HydrophobicContact CG2-CD1 4.06Å; E158-I162 WeakPolarHBondContact O-CG1 3.35Å; E158-I162 PolarHBondContact O-N 3.41Å; I162-T164 PolarHBondContact O-N 3.1Å
163	M	82.7	Confident	82.3	Confident	79 Å²	79	71.6 Å²	71.6	39%	0.389	39%	0.386	S	S	.	.	H	α-helix	trans	-81.3	10.8	-174.8	-64	-73	169.3	0	0	114.2	I103 F159 A161	I103-M163 HydrophobicContact CB-CB 4.48Å; I103-M163 HydrophobicContact CD1-CB 3.69Å; I103-M163 HydrophobicContact CG1-CB 3.79Å; I103-M163 HydrophobicContact CG1-CG 4.45Å; I103-M163 HydrophobicContact CG2-CB 3.86Å; I103-M163 HydrophobicContact CG2-CG 4.09Å; F159-M163 HydrophobicContact CD1-CG 4.18Å; F159-M163 HydrophobicContact CE1-CE 4.23Å; F159-M163 HydrophobicContact CE1-CG 3.93Å; F159-M163 HydrophobicContact CE2-CE 3.96Å; F159-M163 HydrophobicContact CZ-CE 3.64Å; F159-M163 HydrophobicContact CZ-CG 4.27Å; F159-M163 WeakPolarHBondContact O-CB 3.45Å; F159-M163 VanDerWaalsContact O-CG 3.28Å; F159-M163 WeakPolarHBondContact O-CG 3.09Å; F159-M163 PolarHBondContact O-N 3.43Å; F159-M163 VanDerWaalsContact O-N 3.17Å; A161-M163 VanDerWaalsContact C-N 3.26Å; A161-M163 PolarHBondContact O-N 2.8Å
164	T	78.2	Confident	81.4	Confident	74 Å²	74	71.8 Å²	71.8	45%	0.454	39%	0.39	S	S	.	.	H	α-helix	trans	-139.6	-9.8	176.1	59.3	0	0	0	0	115.8	I103 L160 A161 I162	I103-T164 HydrophobicContact CD1-CG2 3.9Å; L160-T164 HydrophobicContact CD1-CG2 4.13Å; L160-T164 WeakPolarHBondContact O-CB 3.03Å; L160-T164 WeakPolarHBondContact O-CG2 3.27Å; L160-T164 PolarHBondContact O-N 3.12Å; L160-T164 PolarHBondContact O-OG1 2.81Å; A161-T164 CarbonylContact O-C 3.57Å; A161-T164 PolarHBondContact O-N 3.12Å; I162-T164 PolarHBondContact O-N 3.1Å
165	E	66.1	Low	80.3	Confident	155 Å²	155	76.7 Å²	76.7	72%	0.724	42%	0.417	S	S	*	.	H	α-helix	trans	-86	-24.7	172.4	-69.5	-168	106.8	0	0	113.2	A161 S167	A161-E165 PolarHBondContact O-N 3.35Å; E165-S167 VanDerWaalsContact C-N 3.33Å; E165-S167 PolarHBondContact O-N 2.72Å
166	D	51.8	Low	79.1	Confident	145 Å²	145	80.6 Å²	80.6	78%	0.775	44%	0.438	S	S	*	.			trans	-90.5	42.9	171	-80.8	-42.4	0	0	0	112.3
167	S	43.5	Very low	77.9	Confident	156 Å²	156	80.2 Å²	80.2	100%	1.091	44%	0.442	S	S	*	.			trans	-147.5	0	-176.2	-69.6	0	0	0	0	115.8	E165	E165-S167 VanDerWaalsContact C-N 3.33Å; E165-S167 PolarHBondContact O-N 2.72Å

Retrieved 167 of 167 residues in 110 ms (Link to these results)

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