A0A087XRK7_POEFO Loading...

small monomeric GTPase

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB3D may be involved in the insulin-induced exocytosis of GLUT4-containing vesicles in adipocytes.

AlphaFold DB , UniProt , Accession A0A087XRK7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 217 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	38.4	Very low	250 Å²	250	173.5 Å²	173.5	100%	1.232	87%	0.865	S	S	*	*				0	93.3	0	-80.7	172	158	0	0	108.3
2	A	33.1	Very low	38.9	Very low	105 Å²	105	169.1 Å²	169.1	87%	0.868	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-89.5	125.4	178.4	0	0	0	0	0	109.1
3	K	31.4	Very low	39.4	Very low	211 Å²	211	161.1 Å²	161.1	92%	0.917	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75.7	121.4	172	-79.2	-175.5	174.2	-178.4	0	108.6
4	A	35.8	Very low	40.5	Very low	95 Å²	95	155 Å²	155	79%	0.785	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-73.4	122.6	170.3	0	0	0	0	0	109.6	Q6	A4-Q6 PolarHBondContact O-N 3.16Å
5	D	37.5	Very low	41.4	Very low	116 Å²	116	150.3 Å²	150.3	62%	0.62	79%	0.787	S	S	*	*			trans	-80.3	98.4	173.5	-161.8	-10.4	0	0	0	108.1	R7	D5-R7 PolarHBondContact O-N 2.87Å; D5-R7 IonicContact OD1-CZ 3.31Å; D5-R7 IonicContact OD1-NE 3.83Å; D5-R7 PolarHBondContact OD1-NE 3Å; D5-R7 VanDerWaalsContact OD1-NE 3.1Å; D5-R7 IonicContact OD1-NH2 2.74Å; D5-R7 IonicContact OD2-CZ 2.65Å; D5-R7 IonicContact OD2-NE 3.45Å; D5-R7 PolarHBondContact OD2-NE 2.8Å; D5-R7 IonicContact OD2-NH2 2.91Å; D5-R7 PolarHBondContact OD2-NH2 3.43Å
6	Q	37.8	Very low	42.5	Very low	190 Å²	190	152.1 Å²	152.1	89%	0.888	79%	0.79	S	S	*	*			trans	-79.9	90.1	168.2	-81.7	-176.4	-8.7	0	0	108.8	A4	A4-Q6 PolarHBondContact O-N 3.16Å
7	R	37.5	Very low	44.6	Very low	208 Å²	208	150 Å²	150	79%	0.785	78%	0.78	S	S	*	*			trans	-117.2	80.1	161.3	-87.2	-176.8	-89.4	-177.6	-3	109.3	D5	D5-R7 PolarHBondContact O-N 2.87Å; D5-R7 IonicContact OD1-CZ 3.31Å; D5-R7 IonicContact OD1-NE 3.83Å; D5-R7 PolarHBondContact OD1-NE 3Å; D5-R7 VanDerWaalsContact OD1-NE 3.1Å; D5-R7 IonicContact OD1-NH2 2.74Å; D5-R7 IonicContact OD2-CZ 2.65Å; D5-R7 IonicContact OD2-NE 3.45Å; D5-R7 PolarHBondContact OD2-NE 2.8Å; D5-R7 IonicContact OD2-NH2 2.91Å; D5-R7 PolarHBondContact OD2-NH2 3.43Å
8	Y	39.6	Very low	46.6	Very low	239 Å²	239	144.2 Å²	144.2	94%	0.937	75%	0.748	S	S	*	*			trans	-115.6	113.4	166.6	-154.8	-94	0	0	0	108.8
9	G	45.3	Very low	48.8	Very low	67 Å²	67	140.5 Å²	140.5	69%	0.691	73%	0.729	S	S	*	*			trans	79.3	62.4	155.3	0	0	0	0	0	117.6	R11	G9-R11 VanDerWaalsContact C-N 3.34Å; G9-R11 PolarHBondContact O-N 2.99Å
10	Q	38	Very low	50.9	Low	192 Å²	192	138.6 Å²	138.6	90%	0.897	71%	0.713	S	S	*	*			trans	-76.9	94.3	150.8	-129.7	170.7	11.2	0	0	106.7	D12	Q10-D12 PolarHBondContact O-N 2.74Å
11	R	47.7	Very low	52.9	Low	236 Å²	236	136.5 Å²	136.5	89%	0.891	70%	0.701	S	S	*	*			trans	-65.1	120.4	161.9	-76.3	-177	-173.1	170.8	2.3	106.1	G9 G13	G9-R11 VanDerWaalsContact C-N 3.34Å; G9-R11 PolarHBondContact O-N 2.99Å; R11-G13 PolarHBondContact O-N 3.45Å; R11-G13 VanDerWaalsContact O-N 3.16Å
12	D	44	Very low	55.6	Low	120 Å²	120	124.7 Å²	124.7	64%	0.642	64%	0.643	S	S	*	*			trans	-51.8	122.5	174.4	-75.7	-45.4	0	0	0	109.3	Q10 S14 D15	Q10-D12 PolarHBondContact O-N 2.74Å; D12-S14 PolarHBondContact O-N 3.24Å; D12-D15 PolarHBondContact O-N 3.41Å
13	G	45.4	Very low	58.5	Low	65 Å²	65	121.4 Å²	121.4	67%	0.67	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-0.7	-179.7	0	0	0	0	0	114.5	R11 D15	R11-G13 PolarHBondContact O-N 3.45Å; R11-G13 VanDerWaalsContact O-N 3.16Å; G13-D15 VanDerWaalsContact C-N 3.34Å
14	S	54.7	Low	61.6	Low	76 Å²	76	111.4 Å²	111.4	53%	0.531	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	-18.8	175	57.3	0	0	0	0	113.7	D12 F18	D12-S14 PolarHBondContact O-N 3.24Å; S14-F18 VanDerWaalsContact O-CE2 3.29Å; S14-F18 WeakPolarHBondContact O-CE2 3.2Å
15	D	54.6	Low	64.4	Low	85 Å²	85	106.9 Å²	106.9	46%	0.455	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-84.6	-14	-178	-84	-14.8	0	0	0	114.5	D12 G13 N17 K71	D12-D15 PolarHBondContact O-N 3.41Å; G13-D15 VanDerWaalsContact C-N 3.34Å; D15-N17 VanDerWaalsContact C-N 3.25Å; D15-N17 PolarHBondContact O-N 2.97Å; D15-K71 IonicContact OD1-NZ 3.69Å; D15-K71 PolarHBondContact OD1-NZ 3.35Å; D15-K71 IonicContact OD2-NZ 3.13Å
16	Q	58.8	Low	67.2	Low	178 Å²	178	101.4 Å²	101.4	83%	0.832	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-80.4	0.8	-177	-71.2	-161	44.7	0	0	114.7
17	N	77.8	Confident	69.9	Low	117 Å²	117	92.3 Å²	92.3	63%	0.626	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-122.3	29.5	-169	-139.8	36.9	0	0	0	113.2	D15 R69	D15-N17 VanDerWaalsContact C-N 3.25Å; D15-N17 PolarHBondContact O-N 2.97Å; N17-R69 WeakPolarHBondContact O-CD 3.47Å; N17-R69 PolarHBondContact O-NH1 3.34Å
18	F	81.7	Confident	72.6	Confident	45 Å²	45	82.4 Å²	82.4	20%	0.197	42%	0.419	C	S	.	.			trans	-116.8	132.7	173.9	-66.5	-80.9	0	0	0	110	S14 T62 R69 K71	S14-F18 VanDerWaalsContact O-CE2 3.29Å; S14-F18 WeakPolarHBondContact O-CE2 3.2Å; F18-T62 HydrophobicContact CE1-CG2 3.81Å; F18-T62 WeakPolarHBondContact CE1-OG1 3.31Å; F18-R69 HydrophobicContact CD1-CG 3.78Å; F18-R69 HydrophobicContact CE1-CG 4.02Å; F18-K71 HydrophobicContact CB-CB 4.41Å; F18-K71 HydrophobicContact CD1-CB 3.59Å; F18-K71 HydrophobicContact CD1-CG 4.4Å; F18-K71 HydrophobicContact CD2-CB 4.28Å; F18-K71 HydrophobicContact CD2-CD 4Å; F18-K71 HydrophobicContact CE1-CB 3.79Å; F18-K71 HydrophobicContact CE1-CG 4.18Å; F18-K71 HydrophobicContact CE2-CB 4.46Å; F18-K71 HydrophobicContact CE2-CD 3.83Å; F18-K71 HydrophobicContact CE2-CG 4.37Å; F18-K71 HydrophobicContact CG-CB 3.85Å; F18-K71 HydrophobicContact CG-CD 4.41Å; F18-K71 HydrophobicContact CZ-CB 4.23Å; F18-K71 HydrophobicContact CZ-CD 4.11Å; F18-K71 HydrophobicContact CZ-CG 4.16Å
19	D	87.4	Confident	75.1	Confident	74 Å²	74	72.2 Å²	72.2	40%	0.396	38%	0.381	S	S	.	.	S	Bend	trans	-73.5	-36.9	174.5	-62.8	-95.3	0	0	0	111.5	K68 R69	D19-K68 HydrophobicContact CB-CB 4.09Å; D19-K68 HydrophobicContact CB-CD 3.59Å; D19-K68 HydrophobicContact CB-CG 4.46Å; D19-K68 WeakPolarHBondContact OD1-CD 3.39Å; D19-K68 IonicContact OD1-NZ 2.89Å; D19-K68 PolarHBondContact OD1-NZ 3.03Å; D19-K68 WeakPolarHBondContact OD2-CA 3.48Å; D19-R69 PolarHBondContact N-O 3.16Å; D19-R69 PolarHBondContact OD2-N 3.17Å
20	Y	91.2	Very high	77.3	Confident	103 Å²	103	70.8 Å²	70.8	40%	0.404	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.2	-176.4	-58.8	-71	0	0	0	112.4	F22 K68 I70 K71	Y20-F22 HydrophobicContact CG-CE1 4.14Å; Y20-K68 HydrophobicContact CD2-CB 4.15Å; Y20-K68 HydrophobicContact CD2-CD 4.49Å; Y20-K68 HydrophobicContact CD2-CG 4.43Å; Y20-K68 HydrophobicContact CE2-CB 4.12Å; Y20-K68 HydrophobicContact CE2-CD 3.84Å; Y20-K68 HydrophobicContact CE2-CG 3.88Å; Y20-I70 HydrophobicContact CD2-CG1 4.35Å; Y20-I70 WeakPolarHBondContact O-CA 3.21Å; Y20-K71 PolarHBondContact O-N 3.38Å
21	M	93	Very high	79.8	Confident	95 Å²	95	64.2 Å²	64.2	47%	0.468	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.9	172.7	-175.7	-174.5	-68.2	0	0	109.3	K71 Q73	M21-K71 CarbonylContact C-O 3.51Å; M21-K71 VanDerWaalsContact CA-O 3.31Å; M21-K71 WeakPolarHBondContact CA-O 3.42Å; M21-K71 HydrophobicContact CE-CD 4.05Å; M21-K71 HydrophobicContact CG-CB 4.41Å; M21-Q73 HydrophobicContact CG-CG 4.09Å; M21-Q73 HydrophobicContact SD-CG 4.28Å; M21-Q73 PolarHBondContact SD-NE2 3.23Å; M21-Q73 PolarHBondContact SD-OE1 3.27Å
22	F	95	Very high	82.1	Confident	1 Å²	1	53 Å²	53	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.3	-179.5	-64.5	-2.8	0	0	0	110.1	Y20 L24 I70 K71 L72 Q73 M95 V179 I182 M186	Y20-F22 HydrophobicContact CG-CE1 4.14Å; F22-L24 HydrophobicContact CB-CD2 4.34Å; F22-I70 HydrophobicContact CB-CG2 4.44Å; F22-I70 HydrophobicContact CD1-CG2 4Å; F22-I70 HydrophobicContact CD2-CG2 3.76Å; F22-I70 HydrophobicContact CE1-CG2 4.08Å; F22-I70 HydrophobicContact CE2-CD1 3.98Å; F22-I70 HydrophobicContact CE2-CG2 3.92Å; F22-I70 HydrophobicContact CG-CG2 3.79Å; F22-I70 HydrophobicContact CZ-CD1 3.98Å; F22-I70 HydrophobicContact CZ-CG2 4.05Å; F22-K71 PolarHBondContact N-O 3.12Å; F22-L72 HydrophobicContact CB-CD2 3.89Å; F22-L72 HydrophobicContact CD2-CD2 4.04Å; F22-L72 HydrophobicContact CG-CD2 4.31Å; F22-Q73 PolarHBondContact O-N 3.41Å; F22-M95 HydrophobicContact CB-SD 4.33Å; F22-M95 HydrophobicContact CD1-CE 4.23Å; F22-M95 HydrophobicContact CD1-SD 3.84Å; F22-M95 HydrophobicContact CG-SD 4.33Å; F22-V179 HydrophobicContact CD2-CG1 4.21Å; F22-V179 HydrophobicContact CD2-CG2 4.36Å; F22-V179 HydrophobicContact CE2-CG1 3.86Å; F22-I182 HydrophobicContact CD1-CG2 4.22Å; F22-I182 HydrophobicContact CD2-CB 4.25Å; F22-I182 HydrophobicContact CD2-CD1 4.38Å; F22-I182 HydrophobicContact CD2-CG2 3.76Å; F22-I182 HydrophobicContact CE1-CG2 4.08Å; F22-I182 HydrophobicContact CE2-CB 3.99Å; F22-I182 HydrophobicContact CE2-CG2 3.54Å; F22-I182 HydrophobicContact CG-CG2 4.12Å; F22-I182 HydrophobicContact CZ-CG2 3.74Å; F22-M186 HydrophobicContact CD1-CE 3.92Å; F22-M186 HydrophobicContact CE1-CE 3.14Å; F22-M186 HydrophobicContact CE1-SD 4.38Å; F22-M186 HydrophobicContact CE2-CE 4.41Å; F22-M186 HydrophobicContact CZ-CE 3.44Å; F22-M186 VanDerWaalsContact CZ-CE 3.44Å
23	K	94.8	Very high	84.5	Confident	37 Å²	37	48 Å²	48	16%	0.161	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	114.3	172.7	-175.6	176.5	173.9	-173	0	109.6	L25 Y90 R92 M95 G96	K23-L25 HydrophobicContact CG-CD1 4.05Å; K23-Y90 WeakPolarHBondContact CE-O 3.23Å; K23-Y90 PolarHBondContact NZ-O 2.91Å; K23-R92 PolarHBondContact NZ-O 2.89Å; K23-M95 PolarHBondContact O-N 3.27Å; K23-G96 PolarHBondContact O-N 2.92Å
24	L	95.9	Very high	86.8	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.2	-179.3	-52.3	-177.3	0	0	0	110.2	F22 L72 Q73 I74 W75 G96 F175 L178 I182	F22-L24 HydrophobicContact CB-CD2 4.34Å; L24-L72 HydrophobicContact CD1-CD1 4.42Å; L24-L72 HydrophobicContact CD1-CD2 4.31Å; L24-Q73 PolarHBondContact N-O 3.21Å; L24-I74 HydrophobicContact CB-CG1 4.4Å; L24-I74 HydrophobicContact CD1-CG1 4.37Å; L24-I74 WeakPolarHBondContact O-CA 3.29Å; L24-W75 PolarHBondContact O-N 2.69Å; L24-G96 VanDerWaalsContact CA-O 3.32Å; L24-G96 WeakPolarHBondContact CA-O 3.4Å; L24-F175 HydrophobicContact CD1-CD1 4.42Å; L24-L178 HydrophobicContact CD1-CD2 4.3Å; L24-L178 HydrophobicContact CD2-CD2 3.98Å; L24-L178 HydrophobicContact CD2-CG 4.25Å; L24-I182 HydrophobicContact CD2-CD1 3.55Å
25	L	95.2	Very high	88.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.7	175.1	-82.3	67.4	0	0	0	110.2	K23 I27 W75 Y91 A94 G96 F97 I98	K23-L25 HydrophobicContact CG-CD1 4.05Å; L25-I27 HydrophobicContact CB-CG2 4.18Å; L25-W75 HydrophobicContact CD1-CB 4.28Å; L25-W75 HydrophobicContact CD1-CG 4.3Å; L25-W75 HydrophobicContact CG-CB 4Å; L25-Y91 HydrophobicContact CD2-CD1 3.42Å; L25-Y91 VanDerWaalsContact CD2-CD1 3.42Å; L25-Y91 HydrophobicContact CD2-CE1 3.78Å; L25-Y91 HydrophobicContact CD2-CG 4.42Å; L25-A94 HydrophobicContact CD1-CB 3.61Å; L25-G96 PolarHBondContact N-O 3.15Å; L25-F97 HydrophobicContact CB-CD1 3.76Å; L25-F97 HydrophobicContact CB-CE1 3.88Å; L25-F97 HydrophobicContact CD2-CD1 4.48Å; L25-F97 HydrophobicContact CD2-CE1 3.77Å; L25-F97 HydrophobicContact CD2-CZ 4.46Å; L25-F97 HydrophobicContact CG-CE1 4.33Å; L25-F97 CarbonylContact O-C 3.54Å; L25-F97 WeakPolarHBondContact O-CA 3.37Å; L25-I98 PolarHBondContact O-N 3.32Å
26	I	95.6	Very high	90.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.5	166.9	-45.5	178.9	0	0	0	107.4	K34 L38 I74 W75 T77 I98 M100 F175	I26-K34 HydrophobicContact CB-CB 4.42Å; I26-K34 HydrophobicContact CG2-CB 3.69Å; I26-K34 HydrophobicContact CG2-CD 4.06Å; I26-K34 HydrophobicContact CG2-CG 3.8Å; I26-L38 HydrophobicContact CD1-CB 3.86Å; I26-L38 HydrophobicContact CD1-CD1 4.42Å; I26-I74 HydrophobicContact CD1-CG2 4Å; I26-I74 HydrophobicContact CG1-CG2 4.04Å; I26-W75 PolarHBondContact N-O 3.26Å; I26-T77 PolarHBondContact O-N 3.28Å; I26-T77 PolarHBondContact O-OG1 2.82Å; I26-I98 WeakPolarHBondContact CA-O 3.44Å; I26-I98 HydrophobicContact CG1-CB 4.37Å; I26-I98 HydrophobicContact CG1-CD1 4.38Å; I26-I98 HydrophobicContact CG2-CB 4.22Å; I26-I98 HydrophobicContact CG2-CG2 4.2Å; I26-M100 HydrophobicContact CG2-CE 4.27Å; I26-F175 HydrophobicContact CD1-CE1 4.39Å; I26-F175 HydrophobicContact CD1-CZ 3.88Å
27	I	94.4	Very high	92.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	163.3	-176.4	69.4	163.9	0	0	0	111.1	L25 T77 T87 Y91 F97 I98 L99 M100 W115 I119	L25-I27 HydrophobicContact CB-CG2 4.18Å; I27-T77 HydrophobicContact CG2-CG2 4.32Å; I27-T87 HydrophobicContact CG2-CG2 4.5Å; I27-Y91 WeakPolarHBondContact CD1-OH 3.13Å; I27-Y91 HydrophobicContact CG2-CE1 4.03Å; I27-F97 HydrophobicContact CD1-CD1 4.23Å; I27-F97 HydrophobicContact CG1-CD1 4.49Å; I27-F97 HydrophobicContact CG2-CD1 4.33Å; I27-I98 PolarHBondContact N-O 3.04Å; I27-L99 HydrophobicContact CD1-CD1 4.05Å; I27-L99 HydrophobicContact CG1-CB 4.39Å; I27-L99 HydrophobicContact CG1-CD1 3.85Å; I27-M100 PolarHBondContact O-N 2.97Å; I27-W115 HydrophobicContact CB-CE3 4.46Å; I27-W115 HydrophobicContact CD1-CB 4.14Å; I27-W115 HydrophobicContact CD1-CD2 4.49Å; I27-W115 HydrophobicContact CD1-CE3 4.04Å; I27-I119 HydrophobicContact CD1-CD1 3.66Å; I27-I119 HydrophobicContact CD1-CG1 3.72Å
28	G	94.3	Very high	93.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.			trans	140.6	170.5	-174.3	0	0	0	0	0	111.4	K34 G79 M100	G28-K34 PolarHBondContact O-NZ 3.31Å; G28-G79 VanDerWaalsContact O-CA 3.28Å; G28-G79 WeakPolarHBondContact O-CA 3.48Å; G28-M100 WeakPolarHBondContact CA-O 3.26Å
29	N	92.4	Very high	93.7	Very high	24 Å²	24	28 Å²	28	13%	0.128	15%	0.15	C	C	.	.	S	Bend	trans	-59.2	167.1	-178	-80.4	16.7	0	0	0	112.8	V32 K34 G79 A111 W115	N29-V32 HydrophobicContact CB-CG1 4Å; N29-V32 VanDerWaalsContact O-CG2 3.3Å; N29-V32 WeakPolarHBondContact O-CG2 3.4Å; N29-K34 PolarHBondContact O-NZ 3.04Å; N29-G79 CarbonylContact C-O 3.55Å; N29-A111 WeakPolarHBondContact OD1-CB 3.16Å; N29-W115 PolarHBondContact OD1-NE1 3.48Å
30	S	90.4	Very high	94.1	Very high	37 Å²	37	26.3 Å²	26.3	26%	0.259	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	156.3	171	-164.1	0	0	0	0	110.2	V32 G79	S30-V32 PolarHBondContact O-N 3.29Å; S30-G79 PolarHBondContact N-O 3.46Å
31	S	91.3	Very high	94.2	Very high	54 Å²	54	22.2 Å²	22.2	38%	0.378	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	4.5	175.3	61.3	0	0	0	0	119.1	G33 K135	S31-G33 PolarHBondContact O-N 3.02Å; S31-K135 WeakPolarHBondContact O-CE 3.45Å; S31-K135 PolarHBondContact O-NZ 3.28Å
32	V	95.2	Very high	94.1	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.012	11%	0.109	C	C	.	.	S	Bend	trans	-70.8	-14.7	175.8	-54.5	0	0	0	0	114.1	N29 S30 K34 M100 D102 N134	N29-V32 HydrophobicContact CB-CG1 4Å; N29-V32 VanDerWaalsContact O-CG2 3.3Å; N29-V32 WeakPolarHBondContact O-CG2 3.4Å; S30-V32 PolarHBondContact O-N 3.29Å; V32-K34 HydrophobicContact CG2-CD 4.24Å; V32-K34 HydrophobicContact CG2-CG 3.62Å; V32-M100 HydrophobicContact CB-CG 4.39Å; V32-M100 HydrophobicContact CG2-CB 4.11Å; V32-M100 HydrophobicContact CG2-CG 3.94Å; V32-M100 HydrophobicContact CG2-SD 4.16Å; V32-D102 HydrophobicContact CB-CB 4.18Å; V32-D102 HydrophobicContact CG1-CB 4.14Å; V32-N134 PolarHBondContact O-ND2 2.9Å
33	G	94.7	Very high	93.7	Very high	13 Å²	13	23 Å²	23	13%	0.134	13%	0.131	C	C	.	.	S	Bend	trans	103.9	19.2	174	0	0	0	0	0	116.4	S31 T35 S36 F37	S31-G33 PolarHBondContact O-N 3.02Å; G33-T35 PolarHBondContact O-N 2.98Å; G33-S36 PolarHBondContact O-N 3.34Å; G33-F37 WeakPolarHBondContact O-CB 3.34Å; G33-F37 PolarHBondContact O-N 3.34Å
34	K	95.1	Very high	93.4	Very high	10 Å²	10	26.2 Å²	26.2	4%	0.043	15%	0.15	C	C	.	.	H	α-helix	trans	-52.9	-51.6	179.4	-56.2	-172.5	-61.3	-73.8	0	113.5	I26 G28 N29 V32 F37 L38 D76 T77 G79 M100	I26-K34 HydrophobicContact CB-CB 4.42Å; I26-K34 HydrophobicContact CG2-CB 3.69Å; I26-K34 HydrophobicContact CG2-CD 4.06Å; I26-K34 HydrophobicContact CG2-CG 3.8Å; G28-K34 PolarHBondContact O-NZ 3.31Å; N29-K34 PolarHBondContact O-NZ 3.04Å; V32-K34 HydrophobicContact CG2-CD 4.24Å; V32-K34 HydrophobicContact CG2-CG 3.62Å; K34-F37 WeakPolarHBondContact O-CB 2.93Å; K34-F37 PolarHBondContact O-N 2.98Å; K34-L38 PolarHBondContact O-N 3.42Å; K34-D76 VanDerWaalsContact CB-OD1 3.23Å; K34-D76 WeakPolarHBondContact CB-OD1 3.44Å; K34-T77 WeakPolarHBondContact CE-O 3.26Å; K34-G79 VanDerWaalsContact NZ-CA 3.35Å; K34-M100 HydrophobicContact CG-CB 4.34Å; K34-M100 HydrophobicContact CG-SD 4.11Å
35	T	93.4	Very high	92.8	Very high	32 Å²	32	28.6 Å²	28.6	20%	0.196	17%	0.167	C	C	.	.	H	α-helix	trans	-62.3	-46.1	178.7	-47	0	0	0	0	111.8	G33 F37 L38 F39 T53 D76	G33-T35 PolarHBondContact O-N 2.98Å; T35-F37 VanDerWaalsContact C-N 3.27Å; T35-F37 PolarHBondContact O-N 3.06Å; T35-L38 PolarHBondContact O-N 3.43Å; T35-F39 HydrophobicContact CG2-CD2 4.21Å; T35-F39 HydrophobicContact CG2-CE1 4.38Å; T35-F39 HydrophobicContact CG2-CE2 3.8Å; T35-F39 HydrophobicContact CG2-CZ 3.89Å; T35-F39 WeakPolarHBondContact O-CG 3.5Å; T35-F39 PolarHBondContact O-N 2.89Å; T35-T53 PolarHBondContact OG1-OG1 2.88Å; T35-D76 WeakPolarHBondContact CA-OD2 3.45Å; T35-D76 VanDerWaalsContact CB-OD2 3.26Å; T35-D76 WeakPolarHBondContact CB-OD2 3.49Å; T35-D76 WeakPolarHBondContact CG2-OD2 3.31Å; T35-D76 PolarHBondContact N-OD1 3.42Å; T35-D76 PolarHBondContact OG1-OD2 3.05Å
36	S	94.7	Very high	92.4	Very high	37 Å²	37	32 Å²	32	26%	0.259	18%	0.182	S	C	.	.	H	α-helix	trans	-61.5	-37.1	176.3	-53.4	0	0	0	0	112	G33 R40	G33-S36 PolarHBondContact O-N 3.34Å; S36-R40 VanDerWaalsContact O-CB 3.26Å; S36-R40 WeakPolarHBondContact O-CB 3.2Å; S36-R40 PolarHBondContact O-N 2.86Å
37	F	96.1	Very high	91.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.8	-42	177.1	-162.6	-94.7	0	0	0	111.7	G33 K34 T35 R40 Y41 I98 M100 V132 A163 A165 V171 V174 F175	G33-F37 WeakPolarHBondContact O-CB 3.34Å; G33-F37 PolarHBondContact O-N 3.34Å; K34-F37 WeakPolarHBondContact O-CB 2.93Å; K34-F37 PolarHBondContact O-N 2.98Å; T35-F37 VanDerWaalsContact C-N 3.27Å; T35-F37 PolarHBondContact O-N 3.06Å; F37-R40 PolarHBondContact O-N 3.26Å; F37-Y41 WeakPolarHBondContact O-CB 3.26Å; F37-Y41 PolarHBondContact O-N 3.01Å; F37-I98 HydrophobicContact CE1-CD1 4.42Å; F37-M100 HydrophobicContact CB-CE 3.64Å; F37-M100 HydrophobicContact CB-SD 4.45Å; F37-M100 HydrophobicContact CD1-CE 3.75Å; F37-M100 HydrophobicContact CD2-CE 3.71Å; F37-M100 HydrophobicContact CE1-CE 4.28Å; F37-M100 HydrophobicContact CE2-CE 4.23Å; F37-M100 HydrophobicContact CG-CE 3.44Å; F37-M100 VanDerWaalsContact CG-CE 3.44Å; F37-M100 HydrophobicContact CZ-CE 4.49Å; F37-V132 HydrophobicContact CE2-CG1 4.39Å; F37-A163 HydrophobicContact CE2-CB 3.66Å; F37-A163 HydrophobicContact CZ-CB 4.29Å; F37-A165 HydrophobicContact CB-CB 4.28Å; F37-A165 HydrophobicContact CD2-CB 4.2Å; F37-V171 HydrophobicContact CD1-CG1 4.25Å; F37-V171 HydrophobicContact CD2-CG1 4.27Å; F37-V171 HydrophobicContact CD2-CG2 4Å; F37-V171 HydrophobicContact CE1-CG1 4.09Å; F37-V171 HydrophobicContact CE2-CB 4.09Å; F37-V171 HydrophobicContact CE2-CG1 4.11Å; F37-V171 HydrophobicContact CE2-CG2 3.69Å; F37-V171 HydrophobicContact CG-CG1 4.34Å; F37-V171 HydrophobicContact CZ-CB 4.17Å; F37-V171 HydrophobicContact CZ-CG1 4.02Å; F37-V171 HydrophobicContact CZ-CG2 4.28Å; F37-V174 HydrophobicContact CE1-CB 4.42Å; F37-V174 HydrophobicContact CE1-CG1 4.25Å; F37-V174 HydrophobicContact CZ-CB 4.1Å; F37-V174 HydrophobicContact CZ-CG1 4.28Å; F37-V174 HydrophobicContact CZ-CG2 4.29Å; F37-F175 AromaticContact CD1-CE2 3.54Å; F37-F175 HydrophobicContact CD1-CE2 3.54Å; F37-F175 AromaticContact CD1-CZ 3.98Å; F37-F175 HydrophobicContact CD1-CZ 3.98Å; F37-F175 HydrophobicContact CE1-CD2 4.02Å; F37-F175 AromaticContact CE1-CE2 3.38Å; F37-F175 HydrophobicContact CE1-CE2 3.38Å; F37-F175 HydrophobicContact CE1-CZ 4.08Å
38	L	94.9	Very high	90.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-46.8	173.4	179.2	55.3	0	0	0	111.6	I26 K34 T35 R40 Y41 A42 K59 I74 D76	I26-L38 HydrophobicContact CD1-CB 3.86Å; I26-L38 HydrophobicContact CD1-CD1 4.42Å; K34-L38 PolarHBondContact O-N 3.42Å; T35-L38 PolarHBondContact O-N 3.43Å; L38-R40 VanDerWaalsContact C-N 3.35Å; L38-Y41 PolarHBondContact O-N 3.26Å; L38-A42 VanDerWaalsContact O-CB 3.26Å; L38-A42 WeakPolarHBondContact O-CB 3.28Å; L38-A42 PolarHBondContact O-N 3.36Å; L38-K59 HydrophobicContact CD1-CB 4.2Å; L38-K59 HydrophobicContact CD1-CG 4.48Å; L38-K59 HydrophobicContact CD2-CB 4.11Å; L38-K59 HydrophobicContact CD2-CG 3.86Å; L38-K59 HydrophobicContact CG-CB 4.43Å; L38-K59 HydrophobicContact CG-CG 4.19Å; L38-I74 HydrophobicContact CD1-CB 3.98Å; L38-I74 HydrophobicContact CD1-CD1 4.02Å; L38-I74 HydrophobicContact CD1-CG2 3.63Å; L38-I74 HydrophobicContact CD2-CG2 4.4Å; L38-D76 HydrophobicContact CD2-CB 3.63Å
39	F	92.6	Very high	90	Very high	67 Å²	67	46.2 Å²	46.2	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-66	-37.9	179	-71.9	-8.9	0	0	0	112.3	T35 Y41 A42 D43 D44 S45	T35-F39 HydrophobicContact CG2-CD2 4.21Å; T35-F39 HydrophobicContact CG2-CE1 4.38Å; T35-F39 HydrophobicContact CG2-CE2 3.8Å; T35-F39 HydrophobicContact CG2-CZ 3.89Å; T35-F39 WeakPolarHBondContact O-CG 3.5Å; T35-F39 PolarHBondContact O-N 2.89Å; F39-Y41 VanDerWaalsContact C-N 3.32Å; F39-Y41 PolarHBondContact O-N 3.12Å; F39-A42 PolarHBondContact O-N 2.8Å; F39-D43 WeakPolarHBondContact O-CA 3.42Å; F39-D43 PolarHBondContact O-N 2.68Å; F39-D44 PolarHBondContact O-N 2.98Å; F39-S45 CarbonylContact C-O 3.33Å
40	R	95.1	Very high	88.9	Confident	39 Å²	39	51.4 Å²	51.4	15%	0.147	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-44.1	172.1	177.7	57.3	73.9	-172.4	6.3	110.9	S36 F37 L38 D44 S45 A165 K166 N168 V171	S36-R40 VanDerWaalsContact O-CB 3.26Å; S36-R40 WeakPolarHBondContact O-CB 3.2Å; S36-R40 PolarHBondContact O-N 2.86Å; F37-R40 PolarHBondContact O-N 3.26Å; L38-R40 VanDerWaalsContact C-N 3.35Å; R40-D44 WeakPolarHBondContact CD-OD1 3.48Å; R40-D44 IonicContact CZ-OD1 3.43Å; R40-D44 VanDerWaalsContact NH1-C 3.33Å; R40-D44 PolarHBondContact NH1-O 2.89Å; R40-D44 IonicContact NH1-OD1 3.5Å; R40-D44 PolarHBondContact NH1-OD1 2.78Å; R40-D44 VanDerWaalsContact O-CA 3.25Å; R40-D44 WeakPolarHBondContact O-CA 3.42Å; R40-D44 PolarHBondContact O-N 3.13Å; R40-S45 WeakPolarHBondContact CA-O 3.26Å; R40-S45 PolarHBondContact N-O 2.95Å; R40-A165 WeakPolarHBondContact CG-O 3.4Å; R40-A165 PolarHBondContact NE-O 3.01Å; R40-K166 PolarHBondContact NH2-O 2.89Å; R40-N168 WeakPolarHBondContact CD-OD1 3.39Å; R40-N168 HydrophobicContact CG-CB 4.35Å; R40-N168 WeakPolarHBondContact CG-OD1 3.26Å; R40-V171 HydrophobicContact CB-CG1 4.22Å; R40-V171 HydrophobicContact CG-CB 4.19Å; R40-V171 HydrophobicContact CG-CG1 3.93Å; R40-V171 HydrophobicContact CG-CG2 3.9Å
41	Y	94.6	Very high	88.1	Confident	18 Å²	18	55.3 Å²	55.3	7%	0.071	31%	0.314	C	S	.	.	H	α-helix	trans	-68.3	-45.6	177.5	175.9	-115.8	0	0	0	113.2	F37 L38 F39 K61 V63 L72 I74 F175	F37-Y41 WeakPolarHBondContact O-CB 3.26Å; F37-Y41 PolarHBondContact O-N 3.01Å; L38-Y41 PolarHBondContact O-N 3.26Å; F39-Y41 VanDerWaalsContact C-N 3.32Å; F39-Y41 PolarHBondContact O-N 3.12Å; Y41-K61 HydrophobicContact CD1-CD 4.15Å; Y41-K61 HydrophobicContact CE1-CB 4.41Å; Y41-K61 HydrophobicContact CE1-CD 3.59Å; Y41-K61 HydrophobicContact CE1-CG 4.3Å; Y41-K61 PolarHBondContact O-NZ 2.91Å; Y41-V63 WeakPolarHBondContact OH-CG1 3.26Å; Y41-L72 HydrophobicContact CE1-CD1 4.49Å; Y41-I74 HydrophobicContact CD1-CD1 3.89Å; Y41-I74 HydrophobicContact CE1-CD1 3.65Å; Y41-F175 AromaticContact CD1-CD1 3.98Å; Y41-F175 HydrophobicContact CD1-CD1 3.98Å; Y41-F175 AromaticContact CD1-CD2 3.67Å; Y41-F175 HydrophobicContact CD1-CD2 3.67Å; Y41-F175 HydrophobicContact CD1-CE1 4.04Å; Y41-F175 AromaticContact CD1-CE2 3.74Å; Y41-F175 HydrophobicContact CD1-CE2 3.74Å; Y41-F175 AromaticContact CD1-CG 3.8Å; Y41-F175 HydrophobicContact CD1-CG 3.8Å; Y41-F175 AromaticContact CD1-CZ 3.92Å; Y41-F175 HydrophobicContact CD1-CZ 3.92Å; Y41-F175 HydrophobicContact CD2-CB 4.09Å; Y41-F175 AromaticContact CD2-CD2 3.46Å; Y41-F175 HydrophobicContact CD2-CD2 3.46Å; Y41-F175 VanDerWaalsContact CD2-CD2 3.46Å; Y41-F175 HydrophobicContact CD2-CE2 4.09Å; Y41-F175 AromaticContact CD2-CG 3.91Å; Y41-F175 HydrophobicContact CD2-CG 3.91Å; Y41-F175 HydrophobicContact CE1-CB 4.13Å; Y41-F175 AromaticContact CE1-CD1 3.9Å; Y41-F175 HydrophobicContact CE1-CD1 3.9Å; Y41-F175 HydrophobicContact CE1-CD2 4.12Å; Y41-F175 HydrophobicContact CE1-CE1 4.33Å; Y41-F175 AromaticContact CE1-CG 3.79Å; Y41-F175 HydrophobicContact CE1-CG 3.79Å; Y41-F175 HydrophobicContact CE2-CB 3.68Å; Y41-F175 AromaticContact CE2-CD2 3.97Å; Y41-F175 HydrophobicContact CE2-CD2 3.97Å; Y41-F175 AromaticContact CE2-CG 3.93Å; Y41-F175 HydrophobicContact CE2-CG 3.93Å; Y41-F175 HydrophobicContact CG-CB 4.49Å; Y41-F175 HydrophobicContact CG-CD1 4.45Å; Y41-F175 AromaticContact CG-CD2 3.3Å; Y41-F175 HydrophobicContact CG-CD2 3.3Å; Y41-F175 AromaticContact CG-CE2 3.46Å; Y41-F175 HydrophobicContact CG-CE2 3.46Å; Y41-F175 VanDerWaalsContact CG-CE2 3.46Å; Y41-F175 AromaticContact CG-CG 3.85Å; Y41-F175 HydrophobicContact CG-CG 3.85Å; Y41-F175 HydrophobicContact CG-CZ 4.11Å; Y41-F175 AromaticContact CZ-CG 3.86Å
42	A	89.8	Confident	87.5	Confident	24 Å²	24	55.1 Å²	55.1	20%	0.198	31%	0.313	C	S	.	.	H	α-helix	trans	-76.3	-48.8	-171.6	0	0	0	0	0	111.9	L38 F39 K61	L38-A42 VanDerWaalsContact O-CB 3.26Å; L38-A42 WeakPolarHBondContact O-CB 3.28Å; L38-A42 PolarHBondContact O-N 3.36Å; F39-A42 PolarHBondContact O-N 2.8Å; A42-K61 PolarHBondContact O-NZ 2.79Å
43	D	87.9	Confident	86.5	Confident	87 Å²	87	56.9 Å²	56.9	47%	0.465	32%	0.324	S	S	.	.	H	α-helix	trans	-119.3	2.9	-162.8	-56	-30.1	0	0	0	112.3	F39 S45 K59	F39-D43 WeakPolarHBondContact O-CA 3.42Å; F39-D43 PolarHBondContact O-N 2.68Å; D43-S45 PolarHBondContact O-N 2.96Å; D43-S45 VanDerWaalsContact O-N 3.14Å; D43-K59 IonicContact OD1-NZ 3.85Å; D43-K59 IonicContact OD2-NZ 3.63Å; D43-K59 PolarHBondContact OD2-NZ 2.93Å
44	D	87.8	Confident	85.4	Confident	105 Å²	105	61.9 Å²	61.9	56%	0.561	35%	0.351	S	S	*	.	S	Bend	trans	46.5	38.6	-172.4	-161.8	18	0	0	0	113.5	F39 R40	F39-D44 PolarHBondContact O-N 2.98Å; R40-D44 WeakPolarHBondContact CD-OD1 3.48Å; R40-D44 IonicContact CZ-OD1 3.43Å; R40-D44 VanDerWaalsContact NH1-C 3.33Å; R40-D44 PolarHBondContact NH1-O 2.89Å; R40-D44 IonicContact NH1-OD1 3.5Å; R40-D44 PolarHBondContact NH1-OD1 2.78Å; R40-D44 VanDerWaalsContact O-CA 3.25Å; R40-D44 WeakPolarHBondContact O-CA 3.42Å; R40-D44 PolarHBondContact O-N 3.13Å
45	S	83.6	Confident	84.4	Confident	52 Å²	52	62.5 Å²	62.5	36%	0.364	36%	0.36	S	S	.	.			trans	-122.4	150.8	-175.6	70.3	0	0	0	0	111.5	F39 R40 D43	F39-S45 CarbonylContact C-O 3.33Å; R40-S45 WeakPolarHBondContact CA-O 3.26Å; R40-S45 PolarHBondContact N-O 2.95Å; D43-S45 PolarHBondContact O-N 2.96Å; D43-S45 VanDerWaalsContact O-N 3.14Å
46	F	85.6	Confident	83.8	Confident	70 Å²	70	62.9 Å²	62.9	31%	0.307	36%	0.361	S	S	.	.			trans	-142.8	139.6	174.7	179.9	-98.8	0	0	0	109.9	N48 A165 K166	F46-N48 WeakPolarHBondContact CE1-OD1 3.27Å; F46-A165 HydrophobicContact CD2-CB 4.35Å; F46-A165 HydrophobicContact CE2-CB 4.32Å; F46-K166 HydrophobicContact CD1-CB 4.33Å; F46-K166 HydrophobicContact CD1-CG 4.1Å; F46-K166 HydrophobicContact CD2-CB 4.4Å; F46-K166 HydrophobicContact CE1-CB 3.86Å; F46-K166 HydrophobicContact CE1-CD 4.22Å; F46-K166 HydrophobicContact CE1-CG 3.65Å; F46-K166 HydrophobicContact CE2-CB 3.96Å; F46-K166 HydrophobicContact CZ-CB 3.68Å; F46-K166 HydrophobicContact CZ-CD 4.44Å; F46-K166 HydrophobicContact CZ-CG 3.98Å
47	S	80.7	Confident	83.3	Confident	68 Å²	68	64 Å²	64	48%	0.476	36%	0.364	S	S	.	.			trans	-124.3	133.9	176.3	-179.6	0	0	0	0	109.8	S49	S47-S49 PolarHBondContact O-N 3.34Å; S47-S49 WeakPolarHBondContact OG-CB 3.28Å; S47-S49 PolarHBondContact OG-N 2.55Å; S47-S49 VanDerWaalsContact OG-N 3.14Å
48	N	77.9	Confident	82.8	Confident	140 Å²	140	67.5 Å²	67.5	75%	0.749	38%	0.38	S	S	*	.			trans	-73.9	-13.5	170.9	-80.1	-19.2	0	0	0	112.5	F46 F50	F46-N48 WeakPolarHBondContact CE1-OD1 3.27Å; N48-F50 PolarHBondContact O-N 3.38Å
49	S	76.4	Confident	82.6	Confident	92 Å²	92	70.3 Å²	70.3	64%	0.643	39%	0.392	S	S	*	.			trans	-71.6	113.6	179	-57.3	0	0	0	0	109.9	S47 V51	S47-S49 PolarHBondContact O-N 3.34Å; S47-S49 WeakPolarHBondContact OG-CB 3.28Å; S47-S49 PolarHBondContact OG-N 2.55Å; S47-S49 VanDerWaalsContact OG-N 3.14Å; S49-V51 PolarHBondContact O-N 3.05Å
50	F	68.4	Low	82.5	Confident	133 Å²	133	70.4 Å²	70.4	58%	0.583	40%	0.397	S	S	*	.			trans	-80.5	102.8	173.5	-175	-105.1	0	0	0	110.1	N48 S52	N48-F50 PolarHBondContact O-N 3.38Å; F50-S52 WeakPolarHBondContact CE1-OG 3.27Å
51	V	74.6	Confident	82.4	Confident	118 Å²	118	71.5 Å²	71.5	72%	0.715	40%	0.403	S	S	*	.			trans	-110.4	123.8	168	-176.5	0	0	0	0	107.5	S49 T53	S49-V51 PolarHBondContact O-N 3.05Å; V51-T53 PolarHBondContact O-N 3.03Å
52	S	77.8	Confident	82.3	Confident	51 Å²	51	73.1 Å²	73.1	36%	0.357	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-67.3	126.1	176.6	-69	0	0	0	0	110.1	F50 V54	F50-S52 WeakPolarHBondContact CE1-OG 3.27Å; S52-V54 PolarHBondContact O-N 2.91Å
53	T	74.1	Confident	82.5	Confident	38 Å²	38	72.8 Å²	72.8	23%	0.233	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-65.4	120	175.6	-45.2	0	0	0	0	109.5	T35 V51 A78	T35-T53 PolarHBondContact OG1-OG1 2.88Å; V51-T53 PolarHBondContact O-N 3.03Å; T53-A78 VanDerWaalsContact O-CB 3.26Å; T53-A78 WeakPolarHBondContact O-CB 3.49Å
54	V	72.9	Confident	82.6	Confident	118 Å²	118	75.4 Å²	75.4	72%	0.715	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-95.7	117.9	173.4	-179	0	0	0	0	107.8	S52	S52-V54 PolarHBondContact O-N 2.91Å
55	G	73	Confident	82.6	Confident	23 Å²	23	73 Å²	73	24%	0.237	40%	0.398	C	S	.	.	S	Bend	trans	79.6	-135.3	-179.3	0	0	0	0	0	113.3	A78	G55-A78 WeakPolarHBondContact O-CB 3.47Å; G55-A78 PolarHBondContact O-N 3.39Å
56	I	81.1	Confident	82.6	Confident	40 Å²	40	77.2 Å²	77.2	21%	0.205	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	130.2	-174.4	-62.1	175.5	0	0	0	108.2	W75 D76 T77 I86 Y90	I56-W75 HydrophobicContact CG2-CB 4.36Å; I56-W75 HydrophobicContact CG2-CE3 3.69Å; I56-W75 HydrophobicContact CG2-CZ3 4.44Å; I56-D76 CarbonylContact C-O 3.49Å; I56-D76 VanDerWaalsContact CA-O 3.28Å; I56-D76 WeakPolarHBondContact CA-O 3.41Å; I56-D76 VanDerWaalsContact CG2-O 3.31Å; I56-D76 WeakPolarHBondContact CG2-O 3.23Å; I56-T77 HydrophobicContact CG1-CG2 4.48Å; I56-I86 HydrophobicContact CD1-CG2 4.38Å; I56-Y90 HydrophobicContact CD1-CD1 4.27Å; I56-Y90 HydrophobicContact CD1-CD2 3.19Å; I56-Y90 HydrophobicContact CD1-CE1 4.27Å; I56-Y90 HydrophobicContact CD1-CE2 3.23Å; I56-Y90 HydrophobicContact CD1-CG 3.75Å
57	D	83.8	Confident	82.6	Confident	60 Å²	60	81.9 Å²	81.9	32%	0.321	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	154.7	174.3	-167.1	17.8	0	0	0	110.5	W75 D76	D57-W75 WeakPolarHBondContact O-CA 3.5Å; D57-D76 HydrophobicContact CB-CB 4.36Å; D57-D76 PolarHBondContact N-O 2.92Å; D57-D76 PolarHBondContact O-N 3.3Å
58	F	85.6	Confident	83	Confident	75 Å²	75	82.5 Å²	82.5	33%	0.329	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.8	-171.8	174.5	-101.9	0	0	0	111.2	V60 Q73 I74 W75	F58-V60 HydrophobicContact CD1-CG2 4.33Å; F58-V60 HydrophobicContact CE1-CG2 3.33Å; F58-V60 HydrophobicContact CE2-CG2 4.44Å; F58-V60 HydrophobicContact CZ-CG2 3.41Å; F58-V60 VanDerWaalsContact CZ-CG2 3.41Å; F58-Q73 HydrophobicContact CE2-CB 3.74Å; F58-Q73 HydrophobicContact CE2-CG 3.9Å; F58-Q73 HydrophobicContact CZ-CB 4.18Å; F58-Q73 HydrophobicContact CZ-CG 3.83Å; F58-I74 WeakPolarHBondContact CA-O 3.48Å; F58-W75 HydrophobicContact CB-CE3 4.27Å; F58-W75 HydrophobicContact CB-CZ3 4.3Å; F58-W75 AromaticContact CD2-CD2 3.72Å; F58-W75 HydrophobicContact CD2-CD2 3.72Å; F58-W75 AromaticContact CD2-CE2 3.55Å; F58-W75 AromaticContact CD2-CE3 3.95Å; F58-W75 HydrophobicContact CD2-CE3 3.95Å; F58-W75 HydrophobicContact CD2-CG 4.3Å; F58-W75 AromaticContact CD2-CH2 3.97Å; F58-W75 HydrophobicContact CD2-CH2 3.97Å; F58-W75 AromaticContact CD2-CZ2 3.7Å; F58-W75 HydrophobicContact CD2-CZ2 3.7Å; F58-W75 HydrophobicContact CD2-CZ3 4.08Å; F58-W75 AromaticContact CD2-NE1 3.97Å; F58-W75 HydrophobicContact CE2-CD2 4.37Å; F58-W75 AromaticContact CE2-CE2 3.75Å; F58-W75 HydrophobicContact CE2-CH2 4.36Å; F58-W75 AromaticContact CE2-CZ2 3.76Å; F58-W75 HydrophobicContact CE2-CZ2 3.76Å; F58-W75 AromaticContact CE2-NE1 3.89Å; F58-W75 HydrophobicContact CG-CZ3 4.47Å
59	K	90.3	Very high	83.7	Confident	59 Å²	59	78.8 Å²	78.8	26%	0.257	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.2	175.2	-72.7	-81.3	-175.7	153.6	0	110.6	L38 D43 I74	L38-K59 HydrophobicContact CD1-CB 4.2Å; L38-K59 HydrophobicContact CD1-CG 4.48Å; L38-K59 HydrophobicContact CD2-CB 4.11Å; L38-K59 HydrophobicContact CD2-CG 3.86Å; L38-K59 HydrophobicContact CG-CB 4.43Å; L38-K59 HydrophobicContact CG-CG 4.19Å; D43-K59 IonicContact OD1-NZ 3.85Å; D43-K59 IonicContact OD2-NZ 3.63Å; D43-K59 PolarHBondContact OD2-NZ 2.93Å; K59-I74 PolarHBondContact N-O 3.4Å; K59-I74 PolarHBondContact O-N 3.06Å
60	V	92.3	Very high	84.6	Confident	68 Å²	68	74.4 Å²	74.4	41%	0.412	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.8	172.7	178.5	0	0	0	0	109.3	F58 K71 L72	F58-V60 HydrophobicContact CD1-CG2 4.33Å; F58-V60 HydrophobicContact CE1-CG2 3.33Å; F58-V60 HydrophobicContact CE2-CG2 4.44Å; F58-V60 HydrophobicContact CZ-CG2 3.41Å; F58-V60 VanDerWaalsContact CZ-CG2 3.41Å; V60-K71 HydrophobicContact CG1-CD 4.23Å; V60-K71 HydrophobicContact CG1-CG 3.7Å; V60-L72 VanDerWaalsContact CA-O 3.28Å; V60-L72 WeakPolarHBondContact CA-O 3.33Å
61	K	92.3	Very high	85.9	Confident	63 Å²	63	69.3 Å²	69.3	27%	0.274	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.8	172.8	-172.4	147.7	176.2	160.8	0	110.2	Y41 A42 V63 L72	Y41-K61 HydrophobicContact CD1-CD 4.15Å; Y41-K61 HydrophobicContact CE1-CB 4.41Å; Y41-K61 HydrophobicContact CE1-CD 3.59Å; Y41-K61 HydrophobicContact CE1-CG 4.3Å; Y41-K61 PolarHBondContact O-NZ 2.91Å; A42-K61 PolarHBondContact O-NZ 2.79Å; K61-V63 HydrophobicContact CG-CG1 4.47Å; K61-L72 PolarHBondContact N-O 2.68Å; K61-L72 WeakPolarHBondContact O-CA 3.44Å; K61-L72 WeakPolarHBondContact O-CB 3.49Å; K61-L72 PolarHBondContact O-N 3.27Å
62	T	93.1	Very high	86.8	Confident	51 Å²	51	63.7 Å²	63.7	31%	0.313	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131	173.1	-61.8	0	0	0	0	109.1	F18 Y64 R69 I70	F18-T62 HydrophobicContact CE1-CG2 3.81Å; F18-T62 WeakPolarHBondContact CE1-OG1 3.31Å; T62-Y64 HydrophobicContact CG2-CE2 4.05Å; T62-R69 HydrophobicContact CG2-CG 3.75Å; T62-I70 WeakPolarHBondContact CA-O 3.19Å
63	V	93.3	Very high	87.7	Confident	17 Å²	17	63.2 Å²	63.2	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155.9	171.1	-57.8	0	0	0	0	110.2	Y41 K61 I70 L72 V179	Y41-V63 WeakPolarHBondContact OH-CG1 3.26Å; K61-V63 HydrophobicContact CG-CG1 4.47Å; V63-I70 HydrophobicContact CG2-CB 3.85Å; V63-I70 HydrophobicContact CG2-CG2 4.36Å; V63-I70 PolarHBondContact N-O 3.43Å; V63-I70 PolarHBondContact O-N 3.01Å; V63-L72 HydrophobicContact CB-CD1 4.45Å; V63-L72 HydrophobicContact CG1-CD1 3.62Å; V63-L72 HydrophobicContact CG1-CG 4.18Å; V63-L72 HydrophobicContact CG2-CD1 3.94Å; V63-L72 HydrophobicContact CG2-CD2 3.98Å; V63-L72 HydrophobicContact CG2-CG 3.87Å; V63-V179 HydrophobicContact CG2-CG1 4.29Å
64	Y	90.3	Very high	88.7	Confident	143 Å²	143	61.5 Å²	61.5	56%	0.561	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	129	176.9	-65.7	-91.4	0	0	0	109.5	T62 K68 R69	T62-Y64 HydrophobicContact CG2-CE2 4.05Å; Y64-K68 WeakPolarHBondContact CA-O 3.39Å; Y64-R69 HydrophobicContact CD1-CB 4.08Å; Y64-R69 HydrophobicContact CD1-CG 4.12Å; Y64-R69 HydrophobicContact CE1-CB 3.81Å; Y64-R69 HydrophobicContact CE1-CG 3.55Å; Y64-R69 PolarHBondContact OH-NE 3.05Å
65	R	87.8	Confident	89.6	Confident	54 Å²	54	58.3 Å²	58.3	20%	0.204	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	129.6	177.3	-70.6	-64	-178.3	-95.1	11.9	109.7	D67 K68 I70 E176 V179 D180	R65-D67 VanDerWaalsContact C-N 3.27Å; R65-D67 PolarHBondContact O-N 3.48Å; R65-K68 PolarHBondContact N-O 3.11Å; R65-K68 WeakPolarHBondContact O-CA 3.34Å; R65-K68 WeakPolarHBondContact O-CB 3.46Å; R65-K68 PolarHBondContact O-N 3.3Å; R65-I70 HydrophobicContact CB-CD1 3.9Å; R65-I70 HydrophobicContact CG-CD1 4.22Å; R65-E176 IonicContact CZ-OE1 2.6Å; R65-E176 VanDerWaalsContact NH2-CB 3.28Å; R65-E176 IonicContact NH2-OE1 3.86Å; R65-E176 PolarHBondContact NH2-OE1 2.55Å; R65-E176 IonicContact NH2-OE2 3.73Å; R65-V179 HydrophobicContact CG-CG1 3.9Å; R65-D180 WeakPolarHBondContact CD-OD1 3.44Å; R65-D180 IonicContact NE-OD1 2.87Å; R65-D180 PolarHBondContact NE-OD1 2.98Å; R65-D180 VanDerWaalsContact NE-OD1 3.13Å
66	N	84.4	Confident	90.4	Very high	141 Å²	141	57.2 Å²	57.2	75%	0.754	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	46.3	179.6	-55.6	-26	0	0	0	112.9	K68	N66-K68 PolarHBondContact O-N 2.84Å
67	D	84.8	Confident	90.6	Very high	168 Å²	168	55.3 Å²	55.3	90%	0.898	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	11	-174.7	-56.3	-39.8	0	0	0	115.7	R65	R65-D67 VanDerWaalsContact C-N 3.27Å; R65-D67 PolarHBondContact O-N 3.48Å
68	K	88.8	Confident	90.3	Very high	80 Å²	80	52.5 Å²	52.5	35%	0.348	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.2	175.1	-59.8	-74.2	174.7	178.4	0	110.4	D19 Y20 Y64 R65 N66 I70	D19-K68 HydrophobicContact CB-CB 4.09Å; D19-K68 HydrophobicContact CB-CD 3.59Å; D19-K68 HydrophobicContact CB-CG 4.46Å; D19-K68 WeakPolarHBondContact OD1-CD 3.39Å; D19-K68 IonicContact OD1-NZ 2.89Å; D19-K68 PolarHBondContact OD1-NZ 3.03Å; D19-K68 WeakPolarHBondContact OD2-CA 3.48Å; Y20-K68 HydrophobicContact CD2-CB 4.15Å; Y20-K68 HydrophobicContact CD2-CD 4.49Å; Y20-K68 HydrophobicContact CD2-CG 4.43Å; Y20-K68 HydrophobicContact CE2-CB 4.12Å; Y20-K68 HydrophobicContact CE2-CD 3.84Å; Y20-K68 HydrophobicContact CE2-CG 3.88Å; Y64-K68 WeakPolarHBondContact CA-O 3.39Å; R65-K68 PolarHBondContact N-O 3.11Å; R65-K68 WeakPolarHBondContact O-CA 3.34Å; R65-K68 WeakPolarHBondContact O-CB 3.46Å; R65-K68 PolarHBondContact O-N 3.3Å; N66-K68 PolarHBondContact O-N 2.84Å; K68-I70 HydrophobicContact CB-CG1 4.49Å
69	R	93.1	Very high	89.3	Confident	62 Å²	62	49.3 Å²	49.3	23%	0.234	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	112	175	-168.9	174.2	172	-147.8	4	109.3	N17 F18 D19 T62 Y64	N17-R69 WeakPolarHBondContact O-CD 3.47Å; N17-R69 PolarHBondContact O-NH1 3.34Å; F18-R69 HydrophobicContact CD1-CG 3.78Å; F18-R69 HydrophobicContact CE1-CG 4.02Å; D19-R69 PolarHBondContact N-O 3.16Å; D19-R69 PolarHBondContact OD2-N 3.17Å; T62-R69 HydrophobicContact CG2-CG 3.75Å; Y64-R69 HydrophobicContact CD1-CB 4.08Å; Y64-R69 HydrophobicContact CD1-CG 4.12Å; Y64-R69 HydrophobicContact CE1-CB 3.81Å; Y64-R69 HydrophobicContact CE1-CG 3.55Å; Y64-R69 PolarHBondContact OH-NE 3.05Å
70	I	94.6	Very high	88.1	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.2	-173.6	-52.3	176.1	0	0	0	109.5	Y20 F22 T62 V63 R65 K68 L72 V179	Y20-I70 HydrophobicContact CD2-CG1 4.35Å; Y20-I70 WeakPolarHBondContact O-CA 3.21Å; F22-I70 HydrophobicContact CB-CG2 4.44Å; F22-I70 HydrophobicContact CD1-CG2 4Å; F22-I70 HydrophobicContact CD2-CG2 3.76Å; F22-I70 HydrophobicContact CE1-CG2 4.08Å; F22-I70 HydrophobicContact CE2-CD1 3.98Å; F22-I70 HydrophobicContact CE2-CG2 3.92Å; F22-I70 HydrophobicContact CG-CG2 3.79Å; F22-I70 HydrophobicContact CZ-CD1 3.98Å; F22-I70 HydrophobicContact CZ-CG2 4.05Å; T62-I70 WeakPolarHBondContact CA-O 3.19Å; V63-I70 HydrophobicContact CG2-CB 3.85Å; V63-I70 HydrophobicContact CG2-CG2 4.36Å; V63-I70 PolarHBondContact N-O 3.43Å; V63-I70 PolarHBondContact O-N 3.01Å; R65-I70 HydrophobicContact CB-CD1 3.9Å; R65-I70 HydrophobicContact CG-CD1 4.22Å; K68-I70 HydrophobicContact CB-CG1 4.49Å; I70-L72 HydrophobicContact CG2-CD2 3.81Å; I70-V179 HydrophobicContact CD1-CG1 3.96Å
71	K	95.2	Very high	86.6	Confident	26 Å²	26	52 Å²	52	11%	0.113	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	107.9	171.8	-166.8	174.2	-178.9	-177.1	0	109.5	D15 F18 Y20 M21 F22 V60	D15-K71 IonicContact OD1-NZ 3.69Å; D15-K71 PolarHBondContact OD1-NZ 3.35Å; D15-K71 IonicContact OD2-NZ 3.13Å; F18-K71 HydrophobicContact CB-CB 4.41Å; F18-K71 HydrophobicContact CD1-CB 3.59Å; F18-K71 HydrophobicContact CD1-CG 4.4Å; F18-K71 HydrophobicContact CD2-CB 4.28Å; F18-K71 HydrophobicContact CD2-CD 4Å; F18-K71 HydrophobicContact CE1-CB 3.79Å; F18-K71 HydrophobicContact CE1-CG 4.18Å; F18-K71 HydrophobicContact CE2-CB 4.46Å; F18-K71 HydrophobicContact CE2-CD 3.83Å; F18-K71 HydrophobicContact CE2-CG 4.37Å; F18-K71 HydrophobicContact CG-CB 3.85Å; F18-K71 HydrophobicContact CG-CD 4.41Å; F18-K71 HydrophobicContact CZ-CB 4.23Å; F18-K71 HydrophobicContact CZ-CD 4.11Å; F18-K71 HydrophobicContact CZ-CG 4.16Å; Y20-K71 PolarHBondContact O-N 3.38Å; M21-K71 CarbonylContact C-O 3.51Å; M21-K71 VanDerWaalsContact CA-O 3.31Å; M21-K71 WeakPolarHBondContact CA-O 3.42Å; M21-K71 HydrophobicContact CE-CD 4.05Å; M21-K71 HydrophobicContact CG-CB 4.41Å; F22-K71 PolarHBondContact N-O 3.12Å; V60-K71 HydrophobicContact CG1-CD 4.23Å; V60-K71 HydrophobicContact CG1-CG 3.7Å
72	L	95.4	Very high	85.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.6	172.1	-51.8	-176.1	0	0	0	109.5	F22 L24 Y41 V60 K61 V63 I70 I74 V179	F22-L72 HydrophobicContact CB-CD2 3.89Å; F22-L72 HydrophobicContact CD2-CD2 4.04Å; F22-L72 HydrophobicContact CG-CD2 4.31Å; L24-L72 HydrophobicContact CD1-CD1 4.42Å; L24-L72 HydrophobicContact CD1-CD2 4.31Å; Y41-L72 HydrophobicContact CE1-CD1 4.49Å; V60-L72 VanDerWaalsContact CA-O 3.28Å; V60-L72 WeakPolarHBondContact CA-O 3.33Å; K61-L72 PolarHBondContact N-O 2.68Å; K61-L72 WeakPolarHBondContact O-CA 3.44Å; K61-L72 WeakPolarHBondContact O-CB 3.49Å; K61-L72 PolarHBondContact O-N 3.27Å; V63-L72 HydrophobicContact CB-CD1 4.45Å; V63-L72 HydrophobicContact CG1-CD1 3.62Å; V63-L72 HydrophobicContact CG1-CG 4.18Å; V63-L72 HydrophobicContact CG2-CD1 3.94Å; V63-L72 HydrophobicContact CG2-CD2 3.98Å; V63-L72 HydrophobicContact CG2-CG 3.87Å; I70-L72 HydrophobicContact CG2-CD2 3.81Å; L72-I74 HydrophobicContact CB-CD1 4.31Å; L72-I74 HydrophobicContact CB-CG1 4.13Å; L72-V179 HydrophobicContact CD1-CG2 3.9Å; L72-V179 HydrophobicContact CD2-CG2 3.58Å; L72-V179 HydrophobicContact CG-CG2 4.39Å
73	Q	95.1	Very high	83.7	Confident	41 Å²	41	57.9 Å²	57.9	19%	0.192	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	100.1	172.4	-77.9	-168.4	-29.8	0	0	108	M21 F22 L24 F58	M21-Q73 HydrophobicContact CG-CG 4.09Å; M21-Q73 HydrophobicContact SD-CG 4.28Å; M21-Q73 PolarHBondContact SD-NE2 3.23Å; M21-Q73 PolarHBondContact SD-OE1 3.27Å; F22-Q73 PolarHBondContact O-N 3.41Å; L24-Q73 PolarHBondContact N-O 3.21Å; F58-Q73 HydrophobicContact CE2-CB 3.74Å; F58-Q73 HydrophobicContact CE2-CG 3.9Å; F58-Q73 HydrophobicContact CZ-CB 4.18Å; F58-Q73 HydrophobicContact CZ-CG 3.83Å
74	I	94.9	Very high	82.4	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.6	-171.7	-49.5	167.8	0	0	0	109	L24 I26 L38 Y41 F58 K59 L72 F175	L24-I74 HydrophobicContact CB-CG1 4.4Å; L24-I74 HydrophobicContact CD1-CG1 4.37Å; L24-I74 WeakPolarHBondContact O-CA 3.29Å; I26-I74 HydrophobicContact CD1-CG2 4Å; I26-I74 HydrophobicContact CG1-CG2 4.04Å; L38-I74 HydrophobicContact CD1-CB 3.98Å; L38-I74 HydrophobicContact CD1-CD1 4.02Å; L38-I74 HydrophobicContact CD1-CG2 3.63Å; L38-I74 HydrophobicContact CD2-CG2 4.4Å; Y41-I74 HydrophobicContact CD1-CD1 3.89Å; Y41-I74 HydrophobicContact CE1-CD1 3.65Å; F58-I74 WeakPolarHBondContact CA-O 3.48Å; K59-I74 PolarHBondContact N-O 3.4Å; K59-I74 PolarHBondContact O-N 3.06Å; L72-I74 HydrophobicContact CB-CD1 4.31Å; L72-I74 HydrophobicContact CB-CG1 4.13Å; I74-F175 HydrophobicContact CD1-CD1 4.16Å; I74-F175 HydrophobicContact CD1-CE1 3.83Å; I74-F175 HydrophobicContact CG1-CE1 4.46Å; I74-F175 HydrophobicContact CG2-CE1 4.09Å
75	W	93.1	Very high	81.2	Confident	51 Å²	51	58.8 Å²	58.8	19%	0.193	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113.9	-179.3	-60.8	82.8	0	0	0	108.9	L24 L25 I26 I56 D57 F58 Y90	L24-W75 PolarHBondContact O-N 2.69Å; L25-W75 HydrophobicContact CD1-CB 4.28Å; L25-W75 HydrophobicContact CD1-CG 4.3Å; L25-W75 HydrophobicContact CG-CB 4Å; I26-W75 PolarHBondContact N-O 3.26Å; I56-W75 HydrophobicContact CG2-CB 4.36Å; I56-W75 HydrophobicContact CG2-CE3 3.69Å; I56-W75 HydrophobicContact CG2-CZ3 4.44Å; D57-W75 WeakPolarHBondContact O-CA 3.5Å; F58-W75 HydrophobicContact CB-CE3 4.27Å; F58-W75 HydrophobicContact CB-CZ3 4.3Å; F58-W75 AromaticContact CD2-CD2 3.72Å; F58-W75 HydrophobicContact CD2-CD2 3.72Å; F58-W75 AromaticContact CD2-CE2 3.55Å; F58-W75 AromaticContact CD2-CE3 3.95Å; F58-W75 HydrophobicContact CD2-CE3 3.95Å; F58-W75 HydrophobicContact CD2-CG 4.3Å; F58-W75 AromaticContact CD2-CH2 3.97Å; F58-W75 HydrophobicContact CD2-CH2 3.97Å; F58-W75 AromaticContact CD2-CZ2 3.7Å; F58-W75 HydrophobicContact CD2-CZ2 3.7Å; F58-W75 HydrophobicContact CD2-CZ3 4.08Å; F58-W75 AromaticContact CD2-NE1 3.97Å; F58-W75 HydrophobicContact CE2-CD2 4.37Å; F58-W75 AromaticContact CE2-CE2 3.75Å; F58-W75 HydrophobicContact CE2-CH2 4.36Å; F58-W75 AromaticContact CE2-CZ2 3.76Å; F58-W75 HydrophobicContact CE2-CZ2 3.76Å; F58-W75 AromaticContact CE2-NE1 3.89Å; F58-W75 HydrophobicContact CG-CZ3 4.47Å; W75-Y90 HydrophobicContact CD2-CD1 4.21Å; W75-Y90 AromaticContact CE3-CD1 3.73Å; W75-Y90 HydrophobicContact CE3-CD1 3.73Å; W75-Y90 AromaticContact CE3-CE1 3.93Å; W75-Y90 HydrophobicContact CE3-CE1 3.93Å; W75-Y90 HydrophobicContact CH2-CD1 4.16Å; W75-Y90 HydrophobicContact CH2-CE1 4.03Å; W75-Y90 AromaticContact CZ3-CD1 3.7Å; W75-Y90 HydrophobicContact CZ3-CD1 3.7Å; W75-Y90 AromaticContact CZ3-CE1 3.48Å; W75-Y90 HydrophobicContact CZ3-CE1 3.48Å; W75-Y90 VanDerWaalsContact CZ3-CE1 3.48Å
76	D	90.3	Very high	80.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	127	170.5	177.8	45.6	0	0	0	109.5	K34 T35 L38 I56 D57	K34-D76 VanDerWaalsContact CB-OD1 3.23Å; K34-D76 WeakPolarHBondContact CB-OD1 3.44Å; T35-D76 WeakPolarHBondContact CA-OD2 3.45Å; T35-D76 VanDerWaalsContact CB-OD2 3.26Å; T35-D76 WeakPolarHBondContact CB-OD2 3.49Å; T35-D76 WeakPolarHBondContact CG2-OD2 3.31Å; T35-D76 PolarHBondContact N-OD1 3.42Å; T35-D76 PolarHBondContact OG1-OD2 3.05Å; L38-D76 HydrophobicContact CD2-CB 3.63Å; I56-D76 CarbonylContact C-O 3.49Å; I56-D76 VanDerWaalsContact CA-O 3.28Å; I56-D76 WeakPolarHBondContact CA-O 3.41Å; I56-D76 VanDerWaalsContact CG2-O 3.31Å; I56-D76 WeakPolarHBondContact CG2-O 3.23Å; D57-D76 HydrophobicContact CB-CB 4.36Å; D57-D76 PolarHBondContact N-O 2.92Å; D57-D76 PolarHBondContact O-N 3.3Å
77	T	84.6	Confident	79.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	143	-171.8	63.9	0	0	0	0	111.5	I26 I27 K34 I56 G79 T87	I26-T77 PolarHBondContact O-N 3.28Å; I26-T77 PolarHBondContact O-OG1 2.82Å; I27-T77 HydrophobicContact CG2-CG2 4.32Å; K34-T77 WeakPolarHBondContact CE-O 3.26Å; I56-T77 HydrophobicContact CG1-CG2 4.48Å; T77-G79 PolarHBondContact O-N 3.42Å; T77-T87 HydrophobicContact CG2-CG2 3.79Å
78	A	76.6	Confident	79.6	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.017	22%	0.216	C	C	.	.			trans	-60.9	129.6	166.1	0	0	0	0	0	109.9	T53 G55 Q80 Y83	T53-A78 VanDerWaalsContact O-CB 3.26Å; T53-A78 WeakPolarHBondContact O-CB 3.49Å; G55-A78 WeakPolarHBondContact O-CB 3.47Å; G55-A78 PolarHBondContact O-N 3.39Å; A78-Q80 VanDerWaalsContact C-N 3.34Å; A78-Y83 HydrophobicContact CB-CD2 3.84Å; A78-Y83 HydrophobicContact CB-CG 4.31Å
79	G	65.3	Low	79.2	Confident	7 Å²	7	46.9 Å²	46.9	7%	0.072	23%	0.229	C	C	.	.			trans	-87.6	2	179.1	0	0	0	0	0	114.8	G28 N29 S30 K34 T77	G28-G79 VanDerWaalsContact O-CA 3.28Å; G28-G79 WeakPolarHBondContact O-CA 3.48Å; N29-G79 CarbonylContact C-O 3.55Å; S30-G79 PolarHBondContact N-O 3.46Å; K34-G79 VanDerWaalsContact NZ-CA 3.35Å; T77-G79 PolarHBondContact O-N 3.42Å
80	Q	65.7	Low	78.9	Confident	51 Å²	51	47.7 Å²	47.7	24%	0.238	23%	0.232	C	C	.	.	S	Bend	trans	-73.7	134.9	177.8	-101.8	-175	21.2	0	0	110.7	A78 R82 Y83	A78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-R82 PolarHBondContact O-N 3.45Å; Q80-R82 VanDerWaalsContact O-N 3.12Å; Q80-Y83 HydrophobicContact CB-CD2 3.82Å; Q80-Y83 HydrophobicContact CB-CE2 4.29Å; Q80-Y83 PolarHBondContact O-N 3.13Å
81	E	60.8	Low	78.7	Confident	132 Å²	132	47.6 Å²	47.6	62%	0.617	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-57.3	-31.1	-180	60.9	-78.6	160.4	0	0	113.3	Y83 R84	E81-Y83 PolarHBondContact O-N 3.49Å; E81-Y83 VanDerWaalsContact O-N 3.1Å; E81-R84 WeakPolarHBondContact O-CB 3.38Å; E81-R84 PolarHBondContact O-N 3.47Å; E81-R84 VanDerWaalsContact O-N 3.08Å
82	R	60.9	Low	78.3	Confident	176 Å²	176	56.3 Å²	56.3	66%	0.664	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-59.9	-21.2	176.1	-63.3	-172.8	-62.9	171.2	1	113.8	Q80	Q80-R82 PolarHBondContact O-N 3.45Å; Q80-R82 VanDerWaalsContact O-N 3.12Å
83	Y	63.3	Low	78	Confident	62 Å²	62	57.8 Å²	57.8	24%	0.243	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-106.4	1.4	179.5	-57.9	-60.7	0	0	0	113.6	A78 Q80 E81 T85 I86 T87	A78-Y83 HydrophobicContact CB-CD2 3.84Å; A78-Y83 HydrophobicContact CB-CG 4.31Å; Q80-Y83 HydrophobicContact CB-CD2 3.82Å; Q80-Y83 HydrophobicContact CB-CE2 4.29Å; Q80-Y83 PolarHBondContact O-N 3.13Å; E81-Y83 PolarHBondContact O-N 3.49Å; E81-Y83 VanDerWaalsContact O-N 3.1Å; Y83-T85 VanDerWaalsContact C-N 3.28Å; Y83-T85 PolarHBondContact O-N 3Å; Y83-I86 HydrophobicContact CD1-CD1 4.03Å; Y83-I86 WeakPolarHBondContact O-CB 3.44Å; Y83-I86 PolarHBondContact O-N 2.81Å; Y83-T87 PolarHBondContact O-N 3.4Å; Y83-T87 PolarHBondContact O-OG1 3.35Å
84	R	66.4	Low	78	Confident	60 Å²	60	55.9 Å²	55.9	23%	0.226	27%	0.271	C	S	.	.	H	α-helix	trans	-54.1	-41	-179.2	-87.3	176.8	167.6	-178	-2.1	113.1	E81 I86 T87 T88 W115	E81-R84 WeakPolarHBondContact O-CB 3.38Å; E81-R84 PolarHBondContact O-N 3.47Å; E81-R84 VanDerWaalsContact O-N 3.08Å; R84-I86 VanDerWaalsContact C-N 3.28Å; R84-I86 PolarHBondContact O-N 2.93Å; R84-T87 PolarHBondContact O-N 3.45Å; R84-T88 PolarHBondContact O-N 3.31Å; R84-W115 HydrophobicContact CG-CH2 3.69Å; R84-W115 HydrophobicContact CG-CZ2 4.37Å; R84-W115 HydrophobicContact CG-CZ3 4.21Å
85	T	65.1	Low	78	Confident	120 Å²	120	58.2 Å²	58.2	74%	0.736	28%	0.282	S	S	*	.	H	α-helix	trans	-64.8	-30.9	177.5	-48.9	0	0	0	0	113.1	Y83 T88	Y83-T85 VanDerWaalsContact C-N 3.28Å; Y83-T85 PolarHBondContact O-N 3Å; T85-T88 PolarHBondContact O-OG1 3.43Å; T85-T88 VanDerWaalsContact O-OG1 3.08Å
86	I	68.2	Low	78.1	Confident	87 Å²	87	55.8 Å²	55.8	45%	0.446	27%	0.273	S	S	.	.	H	α-helix	trans	-74.7	-41.1	176.6	-58.9	-178.3	0	0	0	109.5	I56 Y83 R84 T88 A89 Y90	I56-I86 HydrophobicContact CD1-CG2 4.38Å; Y83-I86 HydrophobicContact CD1-CD1 4.03Å; Y83-I86 WeakPolarHBondContact O-CB 3.44Å; Y83-I86 PolarHBondContact O-N 2.81Å; R84-I86 VanDerWaalsContact C-N 3.28Å; R84-I86 PolarHBondContact O-N 2.93Å; I86-T88 PolarHBondContact O-N 3.23Å; I86-A89 WeakPolarHBondContact O-CB 3.27Å; I86-A89 PolarHBondContact O-N 2.97Å; I86-Y90 HydrophobicContact CG2-CE2 4.19Å; I86-Y90 VanDerWaalsContact O-CD2 3.26Å; I86-Y90 WeakPolarHBondContact O-CD2 3.15Å
87	T	74.2	Confident	78.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-40.4	-179.3	-62	0	0	0	0	112.8	I27 T77 Y83 R84 A89 Y90 Y91	I27-T87 HydrophobicContact CG2-CG2 4.5Å; T77-T87 HydrophobicContact CG2-CG2 3.79Å; Y83-T87 PolarHBondContact O-N 3.4Å; Y83-T87 PolarHBondContact O-OG1 3.35Å; R84-T87 PolarHBondContact O-N 3.45Å; T87-A89 VanDerWaalsContact C-N 3.26Å; T87-A89 PolarHBondContact O-N 2.98Å; T87-Y90 PolarHBondContact O-N 3.17Å; T87-Y91 HydrophobicContact CG2-CE1 3.59Å; T87-Y91 VanDerWaalsContact O-CD1 3.29Å; T87-Y91 WeakPolarHBondContact O-CD1 3.29Å
88	T	79.3	Confident	79.1	Confident	31 Å²	31	55.8 Å²	55.8	19%	0.19	27%	0.273	C	S	.	.	H	α-helix	trans	-64.7	-27.3	-179.3	55.3	0	0	0	0	113.5	R84 T85 I86 Y90 Y91 Y122	R84-T88 PolarHBondContact O-N 3.31Å; T85-T88 PolarHBondContact O-OG1 3.43Å; T85-T88 VanDerWaalsContact O-OG1 3.08Å; I86-T88 PolarHBondContact O-N 3.23Å; T88-Y90 PolarHBondContact O-N 2.98Å; T88-Y90 VanDerWaalsContact O-N 3.13Å; T88-Y91 WeakPolarHBondContact O-CB 3.38Å; T88-Y91 PolarHBondContact O-N 3.4Å; T88-Y91 VanDerWaalsContact O-N 3.08Å; T88-Y122 HydrophobicContact CG2-CD2 3.78Å; T88-Y122 HydrophobicContact CG2-CE2 4.02Å; T88-Y122 HydrophobicContact CG2-CG 4.46Å
89	A	82.3	Confident	80.1	Confident	74 Å²	74	55.7 Å²	55.7	61%	0.612	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.4	174.6	0	0	0	0	0	112.6	I86 T87	I86-A89 WeakPolarHBondContact O-CB 3.27Å; I86-A89 PolarHBondContact O-N 2.97Å; T87-A89 VanDerWaalsContact C-N 3.26Å; T87-A89 PolarHBondContact O-N 2.98Å
90	Y	86.2	Confident	81.6	Confident	79 Å²	79	55.4 Å²	55.4	31%	0.31	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-7.9	-179.4	-65.8	-99	0	0	0	113.2	K23 I56 W75 I86 T87 T88 R92	K23-Y90 WeakPolarHBondContact CE-O 3.23Å; K23-Y90 PolarHBondContact NZ-O 2.91Å; I56-Y90 HydrophobicContact CD1-CD1 4.27Å; I56-Y90 HydrophobicContact CD1-CD2 3.19Å; I56-Y90 HydrophobicContact CD1-CE1 4.27Å; I56-Y90 HydrophobicContact CD1-CE2 3.23Å; I56-Y90 HydrophobicContact CD1-CG 3.75Å; W75-Y90 HydrophobicContact CD2-CD1 4.21Å; W75-Y90 AromaticContact CE3-CD1 3.73Å; W75-Y90 HydrophobicContact CE3-CD1 3.73Å; W75-Y90 AromaticContact CE3-CE1 3.93Å; W75-Y90 HydrophobicContact CE3-CE1 3.93Å; W75-Y90 HydrophobicContact CH2-CD1 4.16Å; W75-Y90 HydrophobicContact CH2-CE1 4.03Å; W75-Y90 AromaticContact CZ3-CD1 3.7Å; W75-Y90 HydrophobicContact CZ3-CD1 3.7Å; W75-Y90 AromaticContact CZ3-CE1 3.48Å; W75-Y90 HydrophobicContact CZ3-CE1 3.48Å; W75-Y90 VanDerWaalsContact CZ3-CE1 3.48Å; I86-Y90 HydrophobicContact CG2-CE2 4.19Å; I86-Y90 VanDerWaalsContact O-CD2 3.26Å; I86-Y90 WeakPolarHBondContact O-CD2 3.15Å; T87-Y90 PolarHBondContact O-N 3.17Å; T88-Y90 PolarHBondContact O-N 2.98Å; T88-Y90 VanDerWaalsContact O-N 3.13Å; Y90-R92 VanDerWaalsContact C-N 3.27Å; Y90-R92 PolarHBondContact O-N 2.99Å
91	Y	89.7	Confident	83.2	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-27.1	-178.7	-74	21	0	0	0	111.7	L25 I27 T87 T88 G93 A94 F97 Q118 I119	L25-Y91 HydrophobicContact CD2-CD1 3.42Å; L25-Y91 VanDerWaalsContact CD2-CD1 3.42Å; L25-Y91 HydrophobicContact CD2-CE1 3.78Å; L25-Y91 HydrophobicContact CD2-CG 4.42Å; I27-Y91 WeakPolarHBondContact CD1-OH 3.13Å; I27-Y91 HydrophobicContact CG2-CE1 4.03Å; T87-Y91 HydrophobicContact CG2-CE1 3.59Å; T87-Y91 VanDerWaalsContact O-CD1 3.29Å; T87-Y91 WeakPolarHBondContact O-CD1 3.29Å; T88-Y91 WeakPolarHBondContact O-CB 3.38Å; T88-Y91 PolarHBondContact O-N 3.4Å; T88-Y91 VanDerWaalsContact O-N 3.08Å; Y91-G93 PolarHBondContact O-N 3.48Å; Y91-A94 WeakPolarHBondContact O-CB 3.28Å; Y91-A94 PolarHBondContact O-N 3.37Å; Y91-F97 AromaticContact CD1-CE1 3.89Å; Y91-F97 HydrophobicContact CD1-CE1 3.89Å; Y91-F97 HydrophobicContact CD1-CZ 4.35Å; Y91-F97 HydrophobicContact CD2-CE1 4.12Å; Y91-F97 HydrophobicContact CD2-CZ 4.19Å; Y91-F97 HydrophobicContact CE1-CE1 4.01Å; Y91-F97 HydrophobicContact CE2-CE1 4.27Å; Y91-F97 AromaticContact CG-CE1 3.94Å; Y91-F97 HydrophobicContact CG-CE1 3.94Å; Y91-F97 AromaticContact CG-CZ 4Å; Y91-F97 HydrophobicContact CG-CZ 4Å; Y91-Q118 HydrophobicContact CE2-CB 3.91Å; Y91-I119 HydrophobicContact CE2-CG1 4.24Å
92	R	88.1	Confident	85	Confident	208 Å²	208	47 Å²	47	79%	0.785	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	124.6	177.1	-172.3	176.8	177	89.4	0.4	110.6	K23 Y90 A94	K23-R92 PolarHBondContact NZ-O 2.89Å; Y90-R92 VanDerWaalsContact C-N 3.27Å; Y90-R92 PolarHBondContact O-N 2.99Å; R92-A94 PolarHBondContact O-N 2.85Å
93	G	89	Confident	86.7	Confident	32 Å²	32	38.6 Å²	38.6	33%	0.33	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	6.2	-179.1	0	0	0	0	0	114.7	Y91 M95	Y91-G93 PolarHBondContact O-N 3.48Å; G93-M95 PolarHBondContact O-N 3.47Å
94	A	93.6	Very high	88.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.			trans	-65.1	129.6	169	0	0	0	0	0	109.6	L25 Y91 R92 F97	L25-A94 HydrophobicContact CD1-CB 3.61Å; Y91-A94 WeakPolarHBondContact O-CB 3.28Å; Y91-A94 PolarHBondContact O-N 3.37Å; R92-A94 PolarHBondContact O-N 2.85Å; A94-F97 HydrophobicContact CB-CD2 4.46Å; A94-F97 HydrophobicContact CB-CE1 4.19Å; A94-F97 HydrophobicContact CB-CE2 3.56Å; A94-F97 HydrophobicContact CB-CZ 3.4Å; A94-F97 VanDerWaalsContact CB-CZ 3.4Å
95	M	95.1	Very high	89.9	Confident	51 Å²	51	36.9 Å²	36.9	25%	0.251	20%	0.199	S	C	.	.			trans	-96.6	-26.9	179.4	-54.8	-175	75.7	0	0	111.3	F22 K23 G93 A127 Q128 I182 M186	F22-M95 HydrophobicContact CB-SD 4.33Å; F22-M95 HydrophobicContact CD1-CE 4.23Å; F22-M95 HydrophobicContact CD1-SD 3.84Å; F22-M95 HydrophobicContact CG-SD 4.33Å; K23-M95 PolarHBondContact O-N 3.27Å; G93-M95 PolarHBondContact O-N 3.47Å; M95-A127 WeakPolarHBondContact O-CA 3.29Å; M95-Q128 PolarHBondContact O-N 2.97Å; M95-I182 HydrophobicContact CB-CD1 4.14Å; M95-I182 HydrophobicContact CB-CG2 4.31Å; M95-I182 HydrophobicContact CE-CG2 3.99Å; M95-M186 HydrophobicContact CE-CE 3.17Å; M95-M186 HydrophobicContact CE-SD 3.68Å; M95-M186 HydrophobicContact SD-CE 4.49Å
96	G	96.4	Very high	91.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.4	179.8	0	0	0	0	0	113	K23 L24 L25 Q128	K23-G96 PolarHBondContact O-N 2.92Å; L24-G96 VanDerWaalsContact CA-O 3.32Å; L24-G96 WeakPolarHBondContact CA-O 3.4Å; L25-G96 PolarHBondContact N-O 3.15Å; G96-Q128 CarbonylContact C-O 3.55Å; G96-Q128 WeakPolarHBondContact CA-O 3.36Å
97	F	96.9	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.8	174.1	-67.8	-95.5	0	0	0	110.2	L25 I27 Y91 A94 I119 A127 Q128 V129 I130	L25-F97 HydrophobicContact CB-CD1 3.76Å; L25-F97 HydrophobicContact CB-CE1 3.88Å; L25-F97 HydrophobicContact CD2-CD1 4.48Å; L25-F97 HydrophobicContact CD2-CE1 3.77Å; L25-F97 HydrophobicContact CD2-CZ 4.46Å; L25-F97 HydrophobicContact CG-CE1 4.33Å; L25-F97 CarbonylContact O-C 3.54Å; L25-F97 WeakPolarHBondContact O-CA 3.37Å; I27-F97 HydrophobicContact CD1-CD1 4.23Å; I27-F97 HydrophobicContact CG1-CD1 4.49Å; I27-F97 HydrophobicContact CG2-CD1 4.33Å; Y91-F97 AromaticContact CD1-CE1 3.89Å; Y91-F97 HydrophobicContact CD1-CE1 3.89Å; Y91-F97 HydrophobicContact CD1-CZ 4.35Å; Y91-F97 HydrophobicContact CD2-CE1 4.12Å; Y91-F97 HydrophobicContact CD2-CZ 4.19Å; Y91-F97 HydrophobicContact CE1-CE1 4.01Å; Y91-F97 HydrophobicContact CE2-CE1 4.27Å; Y91-F97 AromaticContact CG-CE1 3.94Å; Y91-F97 HydrophobicContact CG-CE1 3.94Å; Y91-F97 AromaticContact CG-CZ 4Å; Y91-F97 HydrophobicContact CG-CZ 4Å; A94-F97 HydrophobicContact CB-CD2 4.46Å; A94-F97 HydrophobicContact CB-CE1 4.19Å; A94-F97 HydrophobicContact CB-CE2 3.56Å; A94-F97 HydrophobicContact CB-CZ 3.4Å; A94-F97 VanDerWaalsContact CB-CZ 3.4Å; F97-I119 HydrophobicContact CB-CD1 3.91Å; F97-I119 HydrophobicContact CD1-CD1 4.06Å; F97-I119 HydrophobicContact CD1-CG1 3.96Å; F97-I119 HydrophobicContact CD2-CD1 4.39Å; F97-I119 HydrophobicContact CD2-CG1 4.43Å; F97-I119 HydrophobicContact CD2-CG2 3.9Å; F97-I119 HydrophobicContact CE1-CG1 4.13Å; F97-I119 HydrophobicContact CE2-CG2 3.86Å; F97-I119 HydrophobicContact CG-CD1 3.88Å; F97-I119 HydrophobicContact CG-CG1 4.12Å; F97-I119 HydrophobicContact CG-CG2 4.41Å; F97-I119 HydrophobicContact CZ-CG1 4.44Å; F97-I119 HydrophobicContact CZ-CG2 4.31Å; F97-A127 HydrophobicContact CD2-CB 3.84Å; F97-A127 HydrophobicContact CE2-CB 3.59Å; F97-Q128 PolarHBondContact N-O 3.22Å; F97-V129 HydrophobicContact CB-CG1 4.21Å; F97-V129 HydrophobicContact CB-CG2 4.21Å; F97-V129 HydrophobicContact CD2-CG2 4.45Å; F97-V129 WeakPolarHBondContact O-CA 3.26Å; F97-I130 PolarHBondContact O-N 3.5Å
98	I	97.9	Very high	93.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	107	162.3	-61.5	174.8	0	0	0	106	L25 I26 I27 F37 M100 I130 V132 V174 F175 L178	L25-I98 PolarHBondContact O-N 3.32Å; I26-I98 WeakPolarHBondContact CA-O 3.44Å; I26-I98 HydrophobicContact CG1-CB 4.37Å; I26-I98 HydrophobicContact CG1-CD1 4.38Å; I26-I98 HydrophobicContact CG2-CB 4.22Å; I26-I98 HydrophobicContact CG2-CG2 4.2Å; I27-I98 PolarHBondContact N-O 3.04Å; F37-I98 HydrophobicContact CE1-CD1 4.42Å; I98-M100 HydrophobicContact CG2-CE 4.24Å; I98-I130 WeakPolarHBondContact CA-O 3.19Å; I98-V132 HydrophobicContact CG2-CB 4.38Å; I98-V132 HydrophobicContact CG2-CG2 3.74Å; I98-V174 HydrophobicContact CD1-CG1 3.83Å; I98-V174 HydrophobicContact CG1-CG1 4.05Å; I98-V174 HydrophobicContact CG2-CG1 4.3Å; I98-F175 HydrophobicContact CD1-CD1 3.7Å; I98-F175 HydrophobicContact CD1-CD2 4.41Å; I98-F175 HydrophobicContact CD1-CE1 3.35Å; I98-F175 HydrophobicContact CD1-CE2 4.11Å; I98-F175 HydrophobicContact CD1-CG 4.23Å; I98-F175 HydrophobicContact CD1-CZ 3.57Å; I98-L178 HydrophobicContact CD1-CD2 4.4Å; I98-L178 HydrophobicContact CG1-CD2 3.81Å
99	L	97.3	Very high	94.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	106.5	178.6	174.3	51.6	0	0	0	109.1	I27 V112 W115 A116 V129 I130 M131 V132 F158	I27-L99 HydrophobicContact CD1-CD1 4.05Å; I27-L99 HydrophobicContact CG1-CB 4.39Å; I27-L99 HydrophobicContact CG1-CD1 3.85Å; L99-V112 HydrophobicContact CD2-CG1 3.78Å; L99-V112 HydrophobicContact CG-CG1 4.31Å; L99-W115 HydrophobicContact CD1-CB 3.43Å; L99-W115 VanDerWaalsContact CD1-CB 3.43Å; L99-W115 HydrophobicContact CD1-CG 3.88Å; L99-W115 HydrophobicContact CD2-CB 4.21Å; L99-W115 HydrophobicContact CG-CB 4.5Å; L99-A116 HydrophobicContact CD2-CB 4.4Å; L99-V129 HydrophobicContact CB-CG1 4.08Å; L99-I130 PolarHBondContact N-O 3.25Å; L99-M131 CarbonylContact O-C 3.56Å; L99-M131 WeakPolarHBondContact O-CA 3.39Å; L99-V132 PolarHBondContact O-N 2.85Å; L99-F158 HydrophobicContact CD2-CE2 4.14Å
100	M	97.9	Very high	95.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.7	-169.5	-169	176.2	-68.9	0	0	112.5	I26 I27 G28 V32 K34 F37 I98 V132 N134	I26-M100 HydrophobicContact CG2-CE 4.27Å; I27-M100 PolarHBondContact O-N 2.97Å; G28-M100 WeakPolarHBondContact CA-O 3.26Å; V32-M100 HydrophobicContact CB-CG 4.39Å; V32-M100 HydrophobicContact CG2-CB 4.11Å; V32-M100 HydrophobicContact CG2-CG 3.94Å; V32-M100 HydrophobicContact CG2-SD 4.16Å; K34-M100 HydrophobicContact CG-CB 4.34Å; K34-M100 HydrophobicContact CG-SD 4.11Å; F37-M100 HydrophobicContact CB-CE 3.64Å; F37-M100 HydrophobicContact CB-SD 4.45Å; F37-M100 HydrophobicContact CD1-CE 3.75Å; F37-M100 HydrophobicContact CD2-CE 3.71Å; F37-M100 HydrophobicContact CE1-CE 4.28Å; F37-M100 HydrophobicContact CE2-CE 4.23Å; F37-M100 HydrophobicContact CG-CE 3.44Å; F37-M100 VanDerWaalsContact CG-CE 3.44Å; F37-M100 HydrophobicContact CZ-CE 4.49Å; I98-M100 HydrophobicContact CG2-CE 4.24Å; M100-V132 WeakPolarHBondContact CA-O 3.2Å; M100-V132 HydrophobicContact CE-CG1 4.36Å; M100-N134 HydrophobicContact CG-CB 3.8Å; M100-N134 HydrophobicContact SD-CB 3.76Å
101	Y	98.3	Very high	95.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	171.2	163.7	75.1	-86.5	0	0	0	109.9	I103 F109 V112 M131 V132 G133 N134 V144 Y160	Y101-I103 HydrophobicContact CE2-CG2 4Å; Y101-F109 HydrophobicContact CD1-CD2 4.08Å; Y101-F109 HydrophobicContact CD2-CB 3.86Å; Y101-F109 AromaticContact CD2-CD2 3.86Å; Y101-F109 HydrophobicContact CD2-CD2 3.86Å; Y101-F109 HydrophobicContact CD2-CG 4.36Å; Y101-F109 AromaticContact CE1-CD2 3.93Å; Y101-F109 HydrophobicContact CE1-CD2 3.93Å; Y101-F109 HydrophobicContact CE1-CE2 4.32Å; Y101-F109 HydrophobicContact CE2-CB 4.34Å; Y101-F109 AromaticContact CE2-CD2 3.74Å; Y101-F109 HydrophobicContact CE2-CD2 3.74Å; Y101-F109 HydrophobicContact CE2-CG 4.44Å; Y101-F109 HydrophobicContact CG-CB 4.29Å; Y101-F109 HydrophobicContact CG-CD2 4.05Å; Y101-F109 AromaticContact CZ-CD2 3.77Å; Y101-V112 HydrophobicContact CD1-CG2 4.11Å; Y101-V112 HydrophobicContact CG-CG2 4.32Å; Y101-M131 HydrophobicContact CD1-CG 4.46Å; Y101-M131 HydrophobicContact CE1-CE 4.17Å; Y101-M131 HydrophobicContact CE1-CG 4.43Å; Y101-V132 WeakPolarHBondContact CD1-O 3.4Å; Y101-V132 PolarHBondContact N-O 3.48Å; Y101-G133 VanDerWaalsContact CE1-CA 3.47Å; Y101-G133 VanDerWaalsContact CZ-CA 3.47Å; Y101-N134 PolarHBondContact O-N 3.47Å; Y101-V144 HydrophobicContact CE2-CB 4.02Å; Y101-V144 HydrophobicContact CE2-CG1 3.74Å; Y101-V144 HydrophobicContact CE2-CG2 4.24Å; Y101-Y160 HydrophobicContact CE1-CE2 4.01Å; Y101-Y160 PolarHBondContact OH-OH 2.99Å
102	D	98.1	Very high	96.1	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.032	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.8	177.4	177.8	0.3	0	0	0	109.9	V32 T104 N105 S108 K135	V32-D102 HydrophobicContact CB-CB 4.18Å; V32-D102 HydrophobicContact CG1-CB 4.14Å; D102-T104 PolarHBondContact O-N 3.4Å; D102-T104 PolarHBondContact OD1-N 3.44Å; D102-T104 PolarHBondContact OD1-OG1 3.22Å; D102-T104 VanDerWaalsContact OD1-OG1 3.05Å; D102-T104 PolarHBondContact OD2-OG1 3.21Å; D102-N105 HydrophobicContact CB-CB 4.02Å; D102-N105 PolarHBondContact O-N 3.26Å; D102-N105 VanDerWaalsContact O-O 3.12Å; D102-S108 PolarHBondContact N-OG 3.23Å; D102-S108 PolarHBondContact O-OG 2.97Å; D102-K135 WeakPolarHBondContact OD1-CD 3.42Å; D102-K135 WeakPolarHBondContact OD2-CD 3.34Å; D102-K135 WeakPolarHBondContact OD2-CE 3.2Å; D102-K135 IonicContact OD2-NZ 2.68Å; D102-K135 PolarHBondContact OD2-NZ 3.4Å
103	I	98.6	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.2	-177.6	65.9	150.9	0	0	0	113.5	Y101 N134 K135 C136 R142 V143 V144	Y101-I103 HydrophobicContact CE2-CG2 4Å; I103-N134 WeakPolarHBondContact CG1-O 3.49Å; I103-N134 PolarHBondContact N-O 3.06Å; I103-N134 VanDerWaalsContact N-O 3.11Å; I103-K135 WeakPolarHBondContact CD1-O 3.43Å; I103-K135 WeakPolarHBondContact CG1-O 3.4Å; I103-C136 HydrophobicContact CD1-CB 4.45Å; I103-R142 HydrophobicContact CD1-CB 4.25Å; I103-R142 HydrophobicContact CD1-CG 4.26Å; I103-R142 VanDerWaalsContact CD1-CZ 3.41Å; I103-V143 PolarHBondContact O-N 3.36Å; I103-V144 PolarHBondContact O-N 3.08Å
104	T	98.3	Very high	96.6	Very high	32 Å²	32	32.8 Å²	32.8	20%	0.196	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.5	177	74.3	0	0	0	0	112.5	D102 M138 E141 V143	D102-T104 PolarHBondContact O-N 3.4Å; D102-T104 PolarHBondContact OD1-N 3.44Å; D102-T104 PolarHBondContact OD1-OG1 3.22Å; D102-T104 VanDerWaalsContact OD1-OG1 3.05Å; D102-T104 PolarHBondContact OD2-OG1 3.21Å; T104-M138 HydrophobicContact CG2-CB 3.63Å; T104-M138 HydrophobicContact CG2-SD 4.3Å; T104-E141 WeakPolarHBondContact CB-O 3.3Å; T104-E141 HydrophobicContact CG2-CB 3.79Å; T104-V143 VanDerWaalsContact C-CG2 3.46Å; T104-V143 WeakPolarHBondContact O-CG2 3.46Å
105	N	97.4	Very high	96.5	Very high	54 Å²	54	32.9 Å²	32.9	29%	0.289	17%	0.166	S	C	.	.			trans	-131.1	103.2	-178.6	-174	-54.6	0	0	0	111.8	D102 E107 S108 F109	D102-N105 HydrophobicContact CB-CB 4.02Å; D102-N105 PolarHBondContact O-N 3.26Å; D102-N105 VanDerWaalsContact O-O 3.12Å; N105-E107 VanDerWaalsContact C-N 3.34Å; N105-E107 PolarHBondContact O-N 2.96Å; N105-E107 WeakPolarHBondContact OD1-CB 3.47Å; N105-E107 PolarHBondContact OD1-N 2.84Å; N105-E107 VanDerWaalsContact OD1-N 3.11Å; N105-S108 PolarHBondContact O-N 2.85Å; N105-S108 PolarHBondContact O-OG 2.91Å; N105-S108 PolarHBondContact OD1-N 2.96Å; N105-F109 PolarHBondContact O-N 2.88Å
106	E	97.1	Very high	96.4	Very high	89 Å²	89	30.5 Å²	30.5	42%	0.416	16%	0.155	S	C	.	.	H	α-helix	trans	-65.9	-32.6	-178.6	-175.4	166.7	-147	0	0	113.5	S108 F109 N110 V143 K148	E106-S108 VanDerWaalsContact C-N 3.29Å; E106-S108 PolarHBondContact O-N 2.83Å; E106-F109 WeakPolarHBondContact O-CB 3.35Å; E106-F109 PolarHBondContact O-N 2.94Å; E106-F109 VanDerWaalsContact O-N 3.12Å; E106-N110 PolarHBondContact O-N 2.96Å; E106-N110 PolarHBondContact O-ND2 3.43Å; E106-V143 HydrophobicContact CB-CG2 3.99Å; E106-K148 IonicContact OE1-NZ 3.62Å; E106-K148 PolarHBondContact OE1-NZ 2.99Å
107	E	96.1	Very high	96.2	Very high	142 Å²	142	34.4 Å²	34.4	66%	0.664	18%	0.179	S	C	*	.	H	α-helix	trans	-61.3	-40.6	176.6	-174.2	-173	173.4	0	0	111.3	N105 F109 N110 A111	N105-E107 VanDerWaalsContact C-N 3.34Å; N105-E107 PolarHBondContact O-N 2.96Å; N105-E107 WeakPolarHBondContact OD1-CB 3.47Å; N105-E107 PolarHBondContact OD1-N 2.84Å; N105-E107 VanDerWaalsContact OD1-N 3.11Å; E107-F109 VanDerWaalsContact C-N 3.26Å; E107-F109 PolarHBondContact O-N 2.86Å; E107-N110 PolarHBondContact O-N 2.86Å; E107-A111 PolarHBondContact O-N 3.24Å
108	S	96.9	Very high	95.9	Very high	3 Å²	3	36 Å²	36	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-34.4	176.1	81.1	0	0	0	0	112.5	D102 N105 E106	D102-S108 PolarHBondContact N-OG 3.23Å; D102-S108 PolarHBondContact O-OG 2.97Å; N105-S108 PolarHBondContact O-N 2.85Å; N105-S108 PolarHBondContact O-OG 2.91Å; N105-S108 PolarHBondContact OD1-N 2.96Å; E106-S108 VanDerWaalsContact C-N 3.29Å; E106-S108 PolarHBondContact O-N 2.83Å
109	F	98.2	Very high	95.6	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.053	19%	0.188	C	C	.	.	H	α-helix	trans	-71.9	-44	175.1	177.9	-98.7	0	0	0	111.8	Y101 N105 E106 E107 A111 V112 V144 K148 L152	Y101-F109 HydrophobicContact CD1-CD2 4.08Å; Y101-F109 HydrophobicContact CD2-CB 3.86Å; Y101-F109 AromaticContact CD2-CD2 3.86Å; Y101-F109 HydrophobicContact CD2-CD2 3.86Å; Y101-F109 HydrophobicContact CD2-CG 4.36Å; Y101-F109 AromaticContact CE1-CD2 3.93Å; Y101-F109 HydrophobicContact CE1-CD2 3.93Å; Y101-F109 HydrophobicContact CE1-CE2 4.32Å; Y101-F109 HydrophobicContact CE2-CB 4.34Å; Y101-F109 AromaticContact CE2-CD2 3.74Å; Y101-F109 HydrophobicContact CE2-CD2 3.74Å; Y101-F109 HydrophobicContact CE2-CG 4.44Å; Y101-F109 HydrophobicContact CG-CB 4.29Å; Y101-F109 HydrophobicContact CG-CD2 4.05Å; Y101-F109 AromaticContact CZ-CD2 3.77Å; N105-F109 PolarHBondContact O-N 2.88Å; E106-F109 WeakPolarHBondContact O-CB 3.35Å; E106-F109 PolarHBondContact O-N 2.94Å; E106-F109 VanDerWaalsContact O-N 3.12Å; E107-F109 VanDerWaalsContact C-N 3.26Å; E107-F109 PolarHBondContact O-N 2.86Å; F109-A111 PolarHBondContact O-N 2.95Å; F109-V112 WeakPolarHBondContact O-CB 3.4Å; F109-V112 WeakPolarHBondContact O-CG2 3.38Å; F109-V112 PolarHBondContact O-N 2.65Å; F109-V144 HydrophobicContact CB-CG1 4.45Å; F109-V144 HydrophobicContact CB-CG2 3.84Å; F109-V144 HydrophobicContact CD1-CG1 4.42Å; F109-V144 HydrophobicContact CD2-CG1 3.79Å; F109-V144 HydrophobicContact CE2-CG1 4.12Å; F109-V144 HydrophobicContact CG-CG1 3.94Å; F109-V144 HydrophobicContact CG-CG2 4.16Å; F109-K148 HydrophobicContact CD1-CD 4.36Å; F109-K148 HydrophobicContact CE1-CD 3.83Å; F109-K148 HydrophobicContact CE1-CG 3.8Å; F109-K148 HydrophobicContact CZ-CD 4.29Å; F109-K148 HydrophobicContact CZ-CG 3.79Å; F109-L152 HydrophobicContact CD2-CD2 4.46Å; F109-L152 HydrophobicContact CE1-CD2 4.07Å; F109-L152 HydrophobicContact CE2-CB 4.29Å; F109-L152 HydrophobicContact CE2-CD2 3.65Å; F109-L152 HydrophobicContact CZ-CB 3.86Å; F109-L152 HydrophobicContact CZ-CD2 3.43Å; F109-L152 VanDerWaalsContact CZ-CD2 3.43Å; F109-L152 HydrophobicContact CZ-CG 4.29Å
110	N	96.3	Very high	95.2	Very high	92 Å²	92	42.7 Å²	42.7	49%	0.492	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-34.2	178.5	-67.4	-23.8	0	0	0	111.8	E106 E107 V112	E106-N110 PolarHBondContact O-N 2.96Å; E106-N110 PolarHBondContact O-ND2 3.43Å; E107-N110 PolarHBondContact O-N 2.86Å; N110-V112 PolarHBondContact O-N 3.11Å
111	A	95	Very high	94.8	Very high	10 Å²	10	46.7 Å²	46.7	8%	0.083	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.9	176.7	0	0	0	0	0	114.4	N29 E107 F109 Q113 D114 W115	N29-A111 WeakPolarHBondContact OD1-CB 3.16Å; E107-A111 PolarHBondContact O-N 3.24Å; F109-A111 PolarHBondContact O-N 2.95Å; A111-Q113 VanDerWaalsContact C-N 3.26Å; A111-Q113 PolarHBondContact O-N 2.95Å; A111-D114 WeakPolarHBondContact O-CB 3.48Å; A111-D114 PolarHBondContact O-N 3.33Å; A111-D114 VanDerWaalsContact O-N 3.17Å; A111-W115 PolarHBondContact O-N 3.37Å; A111-W115 VanDerWaalsContact O-N 3.1Å
112	V	95.6	Very high	94.3	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-56.9	-39.1	-179.3	168.2	0	0	0	0	111.8	L99 Y101 F109 N110 D114 W115 A116 M131 L152 L156	L99-V112 HydrophobicContact CD2-CG1 3.78Å; L99-V112 HydrophobicContact CG-CG1 4.31Å; Y101-V112 HydrophobicContact CD1-CG2 4.11Å; Y101-V112 HydrophobicContact CG-CG2 4.32Å; F109-V112 WeakPolarHBondContact O-CB 3.4Å; F109-V112 WeakPolarHBondContact O-CG2 3.38Å; F109-V112 PolarHBondContact O-N 2.65Å; N110-V112 PolarHBondContact O-N 3.11Å; V112-D114 VanDerWaalsContact C-N 3.35Å; V112-D114 PolarHBondContact O-N 3.5Å; V112-W115 PolarHBondContact O-N 2.85Å; V112-A116 WeakPolarHBondContact O-CB 3.45Å; V112-A116 PolarHBondContact O-N 3.3Å; V112-M131 HydrophobicContact CG1-SD 3.54Å; V112-M131 VanDerWaalsContact CG1-SD 3.54Å; V112-L152 HydrophobicContact CB-CD2 4.03Å; V112-L152 HydrophobicContact CG1-CD2 3.78Å; V112-L156 HydrophobicContact CG1-CD1 4.12Å
113	Q	94.4	Very high	93.7	Very high	106 Å²	106	53.5 Å²	53.5	50%	0.495	27%	0.269	S	S	.	.	H	α-helix	trans	-65.2	-39.1	179.8	-66.4	-174.5	23.5	0	0	112.2	A111 A116 T117 L152	A111-Q113 VanDerWaalsContact C-N 3.26Å; A111-Q113 PolarHBondContact O-N 2.95Å; Q113-A116 PolarHBondContact O-N 3.1Å; Q113-T117 PolarHBondContact O-N 3.06Å; Q113-T117 PolarHBondContact O-OG1 3.04Å; Q113-L152 HydrophobicContact CG-CD1 4.03Å
114	D	92.6	Very high	92.7	Very high	90 Å²	90	60.6 Å²	60.6	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-64.2	-45.2	175.5	-65.3	-20	0	0	0	110.6	A111 V112 A116 T117 Q118	A111-D114 WeakPolarHBondContact O-CB 3.48Å; A111-D114 PolarHBondContact O-N 3.33Å; A111-D114 VanDerWaalsContact O-N 3.17Å; V112-D114 VanDerWaalsContact C-N 3.35Å; V112-D114 PolarHBondContact O-N 3.5Å; D114-A116 PolarHBondContact O-N 3.48Å; D114-T117 WeakPolarHBondContact O-CB 3.38Å; D114-T117 PolarHBondContact O-N 3.26Å; D114-Q118 WeakPolarHBondContact O-CG 3.21Å; D114-Q118 PolarHBondContact O-N 2.97Å
115	W	92.9	Very high	91.6	Very high	1 Å²	1	66.4 Å²	66.4	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-42.5	176.3	-71.1	116.4	0	0	0	112	I27 N29 R84 L99 A111 V112 T117 Q118 I119	I27-W115 HydrophobicContact CB-CE3 4.46Å; I27-W115 HydrophobicContact CD1-CB 4.14Å; I27-W115 HydrophobicContact CD1-CD2 4.49Å; I27-W115 HydrophobicContact CD1-CE3 4.04Å; N29-W115 PolarHBondContact OD1-NE1 3.48Å; R84-W115 HydrophobicContact CG-CH2 3.69Å; R84-W115 HydrophobicContact CG-CZ2 4.37Å; R84-W115 HydrophobicContact CG-CZ3 4.21Å; L99-W115 HydrophobicContact CD1-CB 3.43Å; L99-W115 VanDerWaalsContact CD1-CB 3.43Å; L99-W115 HydrophobicContact CD1-CG 3.88Å; L99-W115 HydrophobicContact CD2-CB 4.21Å; L99-W115 HydrophobicContact CG-CB 4.5Å; A111-W115 PolarHBondContact O-N 3.37Å; A111-W115 VanDerWaalsContact O-N 3.1Å; V112-W115 PolarHBondContact O-N 2.85Å; W115-T117 VanDerWaalsContact C-N 3.31Å; W115-T117 PolarHBondContact O-N 3.01Å; W115-Q118 VanDerWaalsContact CE3-OE1 3.26Å; W115-Q118 VanDerWaalsContact CZ3-OE1 3.32Å; W115-Q118 WeakPolarHBondContact O-CB 3.48Å; W115-Q118 PolarHBondContact O-N 2.91Å; W115-I119 WeakPolarHBondContact O-CG1 3.41Å; W115-I119 PolarHBondContact O-N 3.22Å
116	A	92.8	Very high	90.8	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-60.9	-40.6	175.6	0	0	0	0	0	111.8	L99 V112 Q113 D114 Q118 I119 K120 L156 F158	L99-A116 HydrophobicContact CD2-CB 4.4Å; V112-A116 WeakPolarHBondContact O-CB 3.45Å; V112-A116 PolarHBondContact O-N 3.3Å; Q113-A116 PolarHBondContact O-N 3.1Å; D114-A116 PolarHBondContact O-N 3.48Å; A116-Q118 VanDerWaalsContact C-N 3.34Å; A116-Q118 PolarHBondContact O-N 3.17Å; A116-I119 PolarHBondContact O-N 2.9Å; A116-K120 WeakPolarHBondContact O-CG 3.49Å; A116-K120 PolarHBondContact O-N 3.28Å; A116-L156 HydrophobicContact CB-CD1 4.06Å; A116-L156 HydrophobicContact CB-CD2 4.2Å; A116-F158 HydrophobicContact CB-CE2 3.84Å; A116-F158 HydrophobicContact CB-CZ 4.01Å
117	T	92	Very high	90.6	Very high	83 Å²	83	62.7 Å²	62.7	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-40.1	175.4	-58.4	0	0	0	0	111.6	Q113 D114 W115 K120 T121	Q113-T117 PolarHBondContact O-N 3.06Å; Q113-T117 PolarHBondContact O-OG1 3.04Å; D114-T117 WeakPolarHBondContact O-CB 3.38Å; D114-T117 PolarHBondContact O-N 3.26Å; W115-T117 VanDerWaalsContact C-N 3.31Å; W115-T117 PolarHBondContact O-N 3.01Å; T117-K120 PolarHBondContact O-N 2.91Å; T117-T121 WeakPolarHBondContact O-CB 3.39Å; T117-T121 PolarHBondContact O-N 3.1Å; T117-T121 PolarHBondContact O-OG1 2.91Å
118	Q	89.6	Confident	90.6	Very high	33 Å²	33	57.5 Å²	57.5	15%	0.154	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-41.6	175.4	-69	177.4	11.6	0	0	112.3	Y91 D114 W115 A116 K120 T121 Y122	Y91-Q118 HydrophobicContact CE2-CB 3.91Å; D114-Q118 WeakPolarHBondContact O-CG 3.21Å; D114-Q118 PolarHBondContact O-N 2.97Å; W115-Q118 VanDerWaalsContact CE3-OE1 3.26Å; W115-Q118 VanDerWaalsContact CZ3-OE1 3.32Å; W115-Q118 WeakPolarHBondContact O-CB 3.48Å; W115-Q118 PolarHBondContact O-N 2.91Å; A116-Q118 VanDerWaalsContact C-N 3.34Å; A116-Q118 PolarHBondContact O-N 3.17Å; Q118-K120 VanDerWaalsContact C-N 3.34Å; Q118-K120 PolarHBondContact O-N 3.28Å; Q118-T121 PolarHBondContact O-N 3.49Å; Q118-Y122 HydrophobicContact CB-CD2 4.31Å; Q118-Y122 VanDerWaalsContact O-CD2 3.31Å; Q118-Y122 WeakPolarHBondContact O-CD2 3.32Å; Q118-Y122 PolarHBondContact O-N 2.79Å
119	I	91.3	Very high	90.6	Very high	6 Å²	6	58 Å²	58	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-57	-51.8	174.2	-66	171	0	0	0	109	I27 Y91 F97 W115 A116 T121 Y122 S123 V129	I27-I119 HydrophobicContact CD1-CD1 3.66Å; I27-I119 HydrophobicContact CD1-CG1 3.72Å; Y91-I119 HydrophobicContact CE2-CG1 4.24Å; F97-I119 HydrophobicContact CB-CD1 3.91Å; F97-I119 HydrophobicContact CD1-CD1 4.06Å; F97-I119 HydrophobicContact CD1-CG1 3.96Å; F97-I119 HydrophobicContact CD2-CD1 4.39Å; F97-I119 HydrophobicContact CD2-CG1 4.43Å; F97-I119 HydrophobicContact CD2-CG2 3.9Å; F97-I119 HydrophobicContact CE1-CG1 4.13Å; F97-I119 HydrophobicContact CE2-CG2 3.86Å; F97-I119 HydrophobicContact CG-CD1 3.88Å; F97-I119 HydrophobicContact CG-CG1 4.12Å; F97-I119 HydrophobicContact CG-CG2 4.41Å; F97-I119 HydrophobicContact CZ-CG1 4.44Å; F97-I119 HydrophobicContact CZ-CG2 4.31Å; W115-I119 WeakPolarHBondContact O-CG1 3.41Å; W115-I119 PolarHBondContact O-N 3.22Å; A116-I119 PolarHBondContact O-N 2.9Å; I119-T121 VanDerWaalsContact C-N 3.26Å; I119-T121 PolarHBondContact O-N 2.97Å; I119-Y122 PolarHBondContact O-N 2.85Å; I119-S123 WeakPolarHBondContact CG2-OG 3.4Å; I119-S123 WeakPolarHBondContact O-CB 3.25Å; I119-S123 PolarHBondContact O-N 2.97Å; I119-S123 PolarHBondContact O-OG 3.48Å; I119-V129 HydrophobicContact CD1-CG1 4.04Å; I119-V129 HydrophobicContact CD1-CG2 4.04Å; I119-V129 HydrophobicContact CG2-CG2 4.09Å
120	K	89.6	Confident	90.6	Very high	135 Å²	135	57.5 Å²	57.5	59%	0.587	29%	0.288	S	S	*	.	H	α-helix	trans	-60.8	-34.5	-179	-70.6	179.1	-179.7	-179.7	0	113.1	A116 T117 Q118	A116-K120 WeakPolarHBondContact O-CG 3.49Å; A116-K120 PolarHBondContact O-N 3.28Å; T117-K120 PolarHBondContact O-N 2.91Å; Q118-K120 VanDerWaalsContact C-N 3.34Å; Q118-K120 PolarHBondContact O-N 3.28Å
121	T	89.9	Confident	90.7	Very high	85 Å²	85	53.1 Å²	53.1	52%	0.521	26%	0.264	S	S	.	.	H	α-helix	trans	-78	-39.2	-177.8	-55.1	0	0	0	0	113.3	T117 Q118 I119	T117-T121 WeakPolarHBondContact O-CB 3.39Å; T117-T121 PolarHBondContact O-N 3.1Å; T117-T121 PolarHBondContact O-OG1 2.91Å; Q118-T121 PolarHBondContact O-N 3.49Å; I119-T121 VanDerWaalsContact C-N 3.26Å; I119-T121 PolarHBondContact O-N 2.97Å
122	Y	87.4	Confident	90.9	Very high	129 Å²	129	52.6 Å²	52.6	51%	0.506	26%	0.26	S	S	.	.	H	α-helix	trans	-117.3	-7.9	-166.3	-57.4	-67.2	0	0	0	115	T88 Q118 I119	T88-Y122 HydrophobicContact CG2-CD2 3.78Å; T88-Y122 HydrophobicContact CG2-CE2 4.02Å; T88-Y122 HydrophobicContact CG2-CG 4.46Å; Q118-Y122 HydrophobicContact CB-CD2 4.31Å; Q118-Y122 VanDerWaalsContact O-CD2 3.31Å; Q118-Y122 WeakPolarHBondContact O-CD2 3.32Å; Q118-Y122 PolarHBondContact O-N 2.79Å; I119-Y122 PolarHBondContact O-N 2.85Å
123	S	86.2	Confident	91	Very high	20 Å²	20	52.6 Å²	52.6	14%	0.14	26%	0.26	C	S	.	.	S	Bend	trans	-98.2	178.2	178.6	81.2	0	0	0	0	112.3	I119	I119-S123 WeakPolarHBondContact CG2-OG 3.4Å; I119-S123 WeakPolarHBondContact O-CB 3.25Å; I119-S123 PolarHBondContact O-N 2.97Å; I119-S123 PolarHBondContact O-OG 3.48Å
124	W	76.8	Confident	91.2	Very high	148 Å²	148	47.7 Å²	47.7	56%	0.561	24%	0.237	S	C	*	.			trans	-71	138.4	173	-162.8	-40.7	0	0	0	109.3	N126 A127	W124-N126 PolarHBondContact O-N 2.93Å; W124-A127 WeakPolarHBondContact O-CB 3.47Å; W124-A127 PolarHBondContact O-N 3.04Å
125	D	75.7	Confident	91.4	Very high	155 Å²	155	45.6 Å²	45.6	83%	0.829	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.1	-15.4	172.4	-62.6	-19.9	0	0	0	116.6
126	N	80.8	Confident	91.7	Very high	47 Å²	47	46.6 Å²	46.6	25%	0.251	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	14.9	-177.3	-78.4	-59.7	0	0	0	113.9	W124 Q128 K185 R189	W124-N126 PolarHBondContact O-N 2.93Å; N126-Q128 PolarHBondContact O-N 3.29Å; N126-Q128 PolarHBondContact O-NE2 3.47Å; N126-K185 PolarHBondContact OD1-NZ 3.28Å; N126-R189 VanDerWaalsContact ND2-CZ 3.31Å; N126-R189 PolarHBondContact ND2-NH2 3.31Å; N126-R189 VanDerWaalsContact ND2-NH2 3.13Å
127	A	92	Very high	91.9	Very high	17 Å²	17	48.7 Å²	48.7	14%	0.14	24%	0.242	C	C	.	.			trans	-62	131.9	172.7	0	0	0	0	0	110.1	M95 F97 W124	M95-A127 WeakPolarHBondContact O-CA 3.29Å; F97-A127 HydrophobicContact CD2-CB 3.84Å; F97-A127 HydrophobicContact CE2-CB 3.59Å; W124-A127 WeakPolarHBondContact O-CB 3.47Å; W124-A127 PolarHBondContact O-N 3.04Å
128	Q	95.8	Very high	92.1	Very high	34 Å²	34	47.6 Å²	47.6	16%	0.159	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	140.6	178.6	-58.4	-53.2	-61	0	0	109.7	M95 G96 F97 N126 L178 I181 I182 K185	M95-Q128 PolarHBondContact O-N 2.97Å; G96-Q128 CarbonylContact C-O 3.55Å; G96-Q128 WeakPolarHBondContact CA-O 3.36Å; F97-Q128 PolarHBondContact N-O 3.22Å; N126-Q128 PolarHBondContact O-N 3.29Å; N126-Q128 PolarHBondContact O-NE2 3.47Å; Q128-L178 HydrophobicContact CB-CD1 3.81Å; Q128-I181 HydrophobicContact CB-CG2 4.15Å; Q128-I181 HydrophobicContact CG-CB 4.47Å; Q128-I181 HydrophobicContact CG-CG2 3.71Å; Q128-I182 HydrophobicContact CB-CG1 4.01Å; Q128-I182 HydrophobicContact CG-CG1 3.84Å; Q128-K185 HydrophobicContact CG-CG 4.46Å
129	V	96.8	Very high	92.4	Very high	14 Å²	14	50.7 Å²	50.7	9%	0.085	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.7	-176.6	-170.9	0	0	0	0	109.4	F97 L99 I119 F158	F97-V129 HydrophobicContact CB-CG1 4.21Å; F97-V129 HydrophobicContact CB-CG2 4.21Å; F97-V129 HydrophobicContact CD2-CG2 4.45Å; F97-V129 WeakPolarHBondContact O-CA 3.26Å; L99-V129 HydrophobicContact CB-CG1 4.08Å; I119-V129 HydrophobicContact CD1-CG1 4.04Å; I119-V129 HydrophobicContact CD1-CG2 4.04Å; I119-V129 HydrophobicContact CG2-CG2 4.09Å; V129-F158 HydrophobicContact CB-CD1 3.68Å; V129-F158 HydrophobicContact CB-CD2 4.28Å; V129-F158 HydrophobicContact CB-CE1 3.77Å; V129-F158 HydrophobicContact CB-CE2 4.34Å; V129-F158 HydrophobicContact CB-CG 3.96Å; V129-F158 HydrophobicContact CB-CZ 4.1Å; V129-F158 HydrophobicContact CG1-CD1 4.13Å; V129-F158 HydrophobicContact CG1-CD2 3.81Å; V129-F158 HydrophobicContact CG1-CE1 4.18Å; V129-F158 HydrophobicContact CG1-CE2 3.83Å; V129-F158 HydrophobicContact CG1-CG 3.96Å; V129-F158 HydrophobicContact CG1-CZ 4.03Å; V129-F158 HydrophobicContact CG2-CD1 4.29Å; V129-F158 HydrophobicContact CG2-CE1 3.89Å; V129-F158 HydrophobicContact CG2-CZ 4.15Å
130	I	98.4	Very high	92.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.4	165.6	-59.7	-171	0	0	0	107.9	F97 I98 L99 V132 E159 Y161 V174 R177 L178 I181	F97-I130 PolarHBondContact O-N 3.5Å; I98-I130 WeakPolarHBondContact CA-O 3.19Å; L99-I130 PolarHBondContact N-O 3.25Å; I130-V132 HydrophobicContact CG2-CG2 4.09Å; I130-E159 WeakPolarHBondContact CA-O 3.42Å; I130-E159 HydrophobicContact CG1-CB 4.24Å; I130-Y161 HydrophobicContact CD1-CE2 4.48Å; I130-Y161 HydrophobicContact CG2-CD2 3.64Å; I130-Y161 HydrophobicContact CG2-CE2 4.17Å; I130-V174 HydrophobicContact CG2-CG1 4.21Å; I130-R177 HydrophobicContact CD1-CB 4.04Å; I130-R177 HydrophobicContact CD1-CG 3.9Å; I130-L178 HydrophobicContact CD1-CB 3.78Å; I130-L178 HydrophobicContact CG1-CB 4.37Å; I130-L178 HydrophobicContact CG1-CD1 4.24Å; I130-I181 HydrophobicContact CD1-CD1 4.16Å; I130-I181 HydrophobicContact CG1-CD1 4.37Å
131	M	98.6	Very high	93.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.5	172.5	-168.2	170.5	90.1	0	0	110.1	L99 Y101 V112 G149 L152 A153 F158 E159 Y160 Y161	L99-M131 CarbonylContact O-C 3.56Å; L99-M131 WeakPolarHBondContact O-CA 3.39Å; Y101-M131 HydrophobicContact CD1-CG 4.46Å; Y101-M131 HydrophobicContact CE1-CE 4.17Å; Y101-M131 HydrophobicContact CE1-CG 4.43Å; V112-M131 HydrophobicContact CG1-SD 3.54Å; V112-M131 VanDerWaalsContact CG1-SD 3.54Å; M131-G149 WeakPolarHBondContact CE-O 3.31Å; M131-L152 HydrophobicContact CE-CB 4.34Å; M131-A153 HydrophobicContact CB-CB 4.45Å; M131-A153 HydrophobicContact CE-CB 3.7Å; M131-A153 HydrophobicContact SD-CB 4.34Å; M131-F158 HydrophobicContact CB-CB 4.42Å; M131-E159 PolarHBondContact N-O 3.19Å; M131-Y160 HydrophobicContact CB-CD2 4.28Å; M131-Y160 HydrophobicContact CE-CD2 3.6Å; M131-Y160 HydrophobicContact CE-CE2 3.85Å; M131-Y160 HydrophobicContact CG-CD2 4.36Å; M131-Y160 WeakPolarHBondContact O-CA 3.42Å; M131-Y161 PolarHBondContact O-N 2.76Å
132	V	98.8	Very high	93.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.9	-175.9	-178.3	0	0	0	0	111	F37 I98 L99 M100 Y101 I130 N134 Y161 A163 V174	F37-V132 HydrophobicContact CE2-CG1 4.39Å; I98-V132 HydrophobicContact CG2-CB 4.38Å; I98-V132 HydrophobicContact CG2-CG2 3.74Å; L99-V132 PolarHBondContact O-N 2.85Å; M100-V132 WeakPolarHBondContact CA-O 3.2Å; M100-V132 HydrophobicContact CE-CG1 4.36Å; Y101-V132 WeakPolarHBondContact CD1-O 3.4Å; Y101-V132 PolarHBondContact N-O 3.48Å; I130-V132 HydrophobicContact CG2-CG2 4.09Å; V132-N134 PolarHBondContact O-N 3.39Å; V132-Y161 CarbonylContact C-O 3.54Å; V132-Y161 VanDerWaalsContact CA-O 3.28Å; V132-Y161 WeakPolarHBondContact CA-O 3.46Å; V132-A163 HydrophobicContact CG1-CB 3.74Å; V132-V174 HydrophobicContact CG2-CG1 3.87Å; V132-V174 HydrophobicContact CG2-CG2 3.96Å
133	G	98.6	Very high	94	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	99.2	163.9	0	0	0	0	0	109.7	Y101 Y161 E162 A163	Y101-G133 VanDerWaalsContact CE1-CA 3.47Å; Y101-G133 VanDerWaalsContact CZ-CA 3.47Å; G133-Y161 PolarHBondContact N-O 2.88Å; G133-E162 CarbonylContact O-C 3.42Å; G133-E162 VanDerWaalsContact O-CA 3.27Å; G133-E162 WeakPolarHBondContact O-CA 3.26Å; G133-A163 PolarHBondContact O-N 2.82Å
134	N	98.5	Very high	94.6	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	166.7	-177.8	-169.2	34.6	0	0	0	111.7	V32 M100 Y101 I103 V132 A163 A165	V32-N134 PolarHBondContact O-ND2 2.9Å; M100-N134 HydrophobicContact CG-CB 3.8Å; M100-N134 HydrophobicContact SD-CB 3.76Å; Y101-N134 PolarHBondContact O-N 3.47Å; I103-N134 WeakPolarHBondContact CG1-O 3.49Å; I103-N134 PolarHBondContact N-O 3.06Å; I103-N134 VanDerWaalsContact N-O 3.11Å; V132-N134 PolarHBondContact O-N 3.39Å; N134-A163 CarbonylContact C-O 3.57Å; N134-A163 VanDerWaalsContact CA-O 3.27Å; N134-A163 WeakPolarHBondContact CA-O 3.46Å; N134-A163 PolarHBondContact OD1-O 3.42Å; N134-A165 PolarHBondContact OD1-N 3.31Å
135	K	98	Very high	95.6	Very high	46 Å²	46	47.6 Å²	47.6	20%	0.2	26%	0.257	C	S	.	.			trans	67	34.4	-177.9	-45.8	-168.8	-165.4	166	0	113.8	S31 D102 I103 D137 M138 A163	S31-K135 WeakPolarHBondContact O-CE 3.45Å; S31-K135 PolarHBondContact O-NZ 3.28Å; D102-K135 WeakPolarHBondContact OD1-CD 3.42Å; D102-K135 WeakPolarHBondContact OD2-CD 3.34Å; D102-K135 WeakPolarHBondContact OD2-CE 3.2Å; D102-K135 IonicContact OD2-NZ 2.68Å; D102-K135 PolarHBondContact OD2-NZ 3.4Å; I103-K135 WeakPolarHBondContact CD1-O 3.43Å; I103-K135 WeakPolarHBondContact CG1-O 3.4Å; K135-D137 WeakPolarHBondContact CA-OD1 3.33Å; K135-D137 PolarHBondContact O-N 3.29Å; K135-M138 HydrophobicContact CB-CG 4.4Å; K135-M138 HydrophobicContact CB-SD 4.14Å; K135-M138 HydrophobicContact CD-SD 3.95Å; K135-M138 WeakPolarHBondContact O-CB 2.84Å; K135-M138 PolarHBondContact O-N 3.15Å; K135-A163 PolarHBondContact N-O 2.66Å
136	C	97.9	Very high	96.6	Very high	23 Å²	23	42.3 Å²	42.3	16%	0.155	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11	176.2	70.8	0	0	0	0	114.4	I103 M138 E162 A163	I103-C136 HydrophobicContact CD1-CB 4.45Å; C136-M138 PolarHBondContact O-N 3.33Å; C136-E162 HydrophobicContact CB-CB 4.06Å; C136-A163 PolarHBondContact N-O 2.87Å; C136-A163 PolarHBondContact SG-O 3.46Å; C136-A163 VanDerWaalsContact SG-O 3.34Å
137	D	97.8	Very high	97.4	Very high	44 Å²	44	46.4 Å²	46.4	24%	0.235	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.8	168.1	60.6	-78.5	0	0	0	113.6	K135 D139 S164 K166 E167	K135-D137 WeakPolarHBondContact CA-OD1 3.33Å; K135-D137 PolarHBondContact O-N 3.29Å; D137-D139 VanDerWaalsContact C-N 3.33Å; D137-D139 PolarHBondContact O-N 3.1Å; D137-S164 VanDerWaalsContact CG-OG 3.31Å; D137-S164 VanDerWaalsContact OD1-CB 3.28Å; D137-S164 WeakPolarHBondContact OD1-CB 3.32Å; D137-S164 PolarHBondContact OD1-OG 3.37Å; D137-K166 WeakPolarHBondContact OD2-CD 3.46Å; D137-K166 IonicContact OD2-NZ 2.85Å; D137-E167 HydrophobicContact CB-CB 4.46Å; D137-E167 HydrophobicContact CB-CG 3.54Å
138	M	96.6	Very high	97.7	Very high	60 Å²	60	49.2 Å²	49.2	30%	0.296	26%	0.258	S	S	.	.			trans	-95.7	43.9	179.7	-60.3	-179.8	172.5	0	0	112	T104 K135 C136 V140 E141 R142	T104-M138 HydrophobicContact CG2-CB 3.63Å; T104-M138 HydrophobicContact CG2-SD 4.3Å; K135-M138 HydrophobicContact CB-CG 4.4Å; K135-M138 HydrophobicContact CB-SD 4.14Å; K135-M138 HydrophobicContact CD-SD 3.95Å; K135-M138 WeakPolarHBondContact O-CB 2.84Å; K135-M138 PolarHBondContact O-N 3.15Å; C136-M138 PolarHBondContact O-N 3.33Å; M138-V140 PolarHBondContact O-N 3.2Å; M138-V140 VanDerWaalsContact O-N 3.16Å; M138-E141 PolarHBondContact O-N 3.05Å; M138-R142 PolarHBondContact O-N 3.1Å
139	D	95.3	Very high	97.8	Very high	98 Å²	98	47.6 Å²	47.6	52%	0.524	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-60.8	-29.1	-173	-160.6	60.5	0	0	0	113.5	D137 E141 R142	D137-D139 VanDerWaalsContact C-N 3.33Å; D137-D139 PolarHBondContact O-N 3.1Å; D139-E141 VanDerWaalsContact C-N 3.29Å; D139-E141 PolarHBondContact O-N 2.94Å; D139-R142 WeakPolarHBondContact O-CB 3.23Å; D139-R142 PolarHBondContact O-N 3.24Å; D139-R142 IonicContact OD1-CZ 2.8Å; D139-R142 VanDerWaalsContact OD1-CZ 3.29Å; D139-R142 IonicContact OD1-NE 3.29Å; D139-R142 PolarHBondContact OD1-NE 3.21Å; D139-R142 IonicContact OD1-NH2 3.57Å; D139-R142 PolarHBondContact OD1-NH2 2.86Å
140	V	97.6	Very high	97.9	Very high	151 Å²	151	52.7 Å²	52.7	92%	0.915	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-65	-32.6	175.3	179.3	0	0	0	0	112.3	M138 R142	M138-V140 PolarHBondContact O-N 3.2Å; M138-V140 VanDerWaalsContact O-N 3.16Å; V140-R142 VanDerWaalsContact C-N 3.34Å
141	E	97.7	Very high	97.9	Very high	126 Å²	126	58 Å²	58	59%	0.589	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-95.2	7.7	-179.6	-64.9	171.8	-137.3	0	0	111.9	T104 M138 D139 V143	T104-E141 WeakPolarHBondContact CB-O 3.3Å; T104-E141 HydrophobicContact CG2-CB 3.79Å; M138-E141 PolarHBondContact O-N 3.05Å; D139-E141 VanDerWaalsContact C-N 3.29Å; D139-E141 PolarHBondContact O-N 2.94Å; E141-V143 PolarHBondContact O-N 3.28Å
142	R	98.4	Very high	97.8	Very high	53 Å²	53	58.4 Å²	58.4	20%	0.2	30%	0.298	C	S	.	.			trans	-61.5	128.5	-176.9	179.4	-176.7	-68.9	-86.4	8.2	111.1	I103 M138 D139 V140 V144 E162	I103-R142 HydrophobicContact CD1-CB 4.25Å; I103-R142 HydrophobicContact CD1-CG 4.26Å; I103-R142 VanDerWaalsContact CD1-CZ 3.41Å; M138-R142 PolarHBondContact O-N 3.1Å; D139-R142 WeakPolarHBondContact O-CB 3.23Å; D139-R142 PolarHBondContact O-N 3.24Å; D139-R142 IonicContact OD1-CZ 2.8Å; D139-R142 VanDerWaalsContact OD1-CZ 3.29Å; D139-R142 IonicContact OD1-NE 3.29Å; D139-R142 PolarHBondContact OD1-NE 3.21Å; D139-R142 IonicContact OD1-NH2 3.57Å; D139-R142 PolarHBondContact OD1-NH2 2.86Å; V140-R142 VanDerWaalsContact C-N 3.34Å; R142-V144 WeakPolarHBondContact CD-O 3.45Å; R142-V144 VanDerWaalsContact CG-O 3.26Å; R142-V144 WeakPolarHBondContact CG-O 3.35Å; R142-V144 PolarHBondContact NH1-O 3.43Å; R142-E162 IonicContact CZ-OE1 3.54Å; R142-E162 IonicContact CZ-OE2 3.96Å; R142-E162 IonicContact NH1-OE1 3.84Å; R142-E162 PolarHBondContact NH1-OE1 2.85Å; R142-E162 IonicContact NH1-OE2 2.79Å; R142-E162 PolarHBondContact NH1-OE2 2.83Å; R142-E162 IonicContact NH2-OE1 3.43Å; R142-E162 IonicContact NH2-OE2 2.91Å; R142-E162 PolarHBondContact NH2-OE2 2.91Å
143	V	98.3	Very high	97.8	Very high	71 Å²	71	58.4 Å²	58.4	43%	0.43	30%	0.298	S	S	.	.			trans	-117.2	-14.4	170.7	-55.7	0	0	0	0	112.3	I103 T104 E106 E141	I103-V143 PolarHBondContact O-N 3.36Å; T104-V143 VanDerWaalsContact C-CG2 3.46Å; T104-V143 WeakPolarHBondContact O-CG2 3.46Å; E106-V143 HydrophobicContact CB-CG2 3.99Å; E141-V143 PolarHBondContact O-N 3.28Å
144	V	98.3	Very high	97.7	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	-110.2	109.1	175.5	-173.7	0	0	0	0	109.7	Y101 I103 F109 R142 K148	Y101-V144 HydrophobicContact CE2-CB 4.02Å; Y101-V144 HydrophobicContact CE2-CG1 3.74Å; Y101-V144 HydrophobicContact CE2-CG2 4.24Å; I103-V144 PolarHBondContact O-N 3.08Å; F109-V144 HydrophobicContact CB-CG1 4.45Å; F109-V144 HydrophobicContact CB-CG2 3.84Å; F109-V144 HydrophobicContact CD1-CG1 4.42Å; F109-V144 HydrophobicContact CD2-CG1 3.79Å; F109-V144 HydrophobicContact CE2-CG1 4.12Å; F109-V144 HydrophobicContact CG-CG1 3.94Å; F109-V144 HydrophobicContact CG-CG2 4.16Å; R142-V144 WeakPolarHBondContact CD-O 3.45Å; R142-V144 VanDerWaalsContact CG-O 3.26Å; R142-V144 WeakPolarHBondContact CG-O 3.35Å; R142-V144 PolarHBondContact NH1-O 3.43Å; V144-K148 HydrophobicContact CG1-CB 4.41Å; V144-K148 HydrophobicContact CG1-CD 4.38Å
145	P	97.9	Very high	97.7	Very high	57 Å²	57	69.2 Å²	69.2	37%	0.37	35%	0.352	S	S	.	.			trans	-63.8	145.1	174.7	-22.4	33.7	0	0	0	112	E147 K148 G149	P145-E147 VanDerWaalsContact CB-OE2 3.31Å; P145-E147 WeakPolarHBondContact CB-OE2 3.28Å; P145-E147 PolarHBondContact O-N 3.34Å; P145-E147 VanDerWaalsContact O-N 3.16Å; P145-K148 WeakPolarHBondContact O-CB 3.46Å; P145-K148 PolarHBondContact O-N 3.2Å; P145-G149 PolarHBondContact O-N 3.13Å
146	P	97.1	Very high	97.5	Very high	45 Å²	45	68.7 Å²	68.7	29%	0.292	35%	0.351	S	S	.	.	H	α-helix	trans	-55.3	-34.1	177.8	-24	32.9	0	0	0	113.1	K148 G149 K150	P146-K148 VanDerWaalsContact C-N 3.33Å; P146-K148 PolarHBondContact O-N 3.38Å; P146-G149 PolarHBondContact O-N 2.92Å; P146-K150 WeakPolarHBondContact O-CB 3.41Å; P146-K150 PolarHBondContact O-N 2.9Å
147	E	98.1	Very high	97.4	Very high	132 Å²	132	70.8 Å²	70.8	62%	0.617	38%	0.377	S	S	*	.	H	α-helix	trans	-65.3	-37	179	-57.8	76.1	-167.2	0	0	111.7	P145 H151	P145-E147 VanDerWaalsContact CB-OE2 3.31Å; P145-E147 WeakPolarHBondContact CB-OE2 3.28Å; P145-E147 PolarHBondContact O-N 3.34Å; P145-E147 VanDerWaalsContact O-N 3.16Å; E147-H151 WeakPolarHBondContact O-CB 3.41Å; E147-H151 PolarHBondContact O-N 2.77Å
148	K	97.9	Very high	97.4	Very high	76 Å²	76	69.9 Å²	69.9	33%	0.33	37%	0.371	S	S	.	.	H	α-helix	trans	-66.8	-42	177.1	-166	-177.7	-178.6	-174.4	0	110.3	E106 F109 V144 P145 P146 L152	E106-K148 IonicContact OE1-NZ 3.62Å; E106-K148 PolarHBondContact OE1-NZ 2.99Å; F109-K148 HydrophobicContact CD1-CD 4.36Å; F109-K148 HydrophobicContact CE1-CD 3.83Å; F109-K148 HydrophobicContact CE1-CG 3.8Å; F109-K148 HydrophobicContact CZ-CD 4.29Å; F109-K148 HydrophobicContact CZ-CG 3.79Å; V144-K148 HydrophobicContact CG1-CB 4.41Å; V144-K148 HydrophobicContact CG1-CD 4.38Å; P145-K148 WeakPolarHBondContact O-CB 3.46Å; P145-K148 PolarHBondContact O-N 3.2Å; P146-K148 VanDerWaalsContact C-N 3.33Å; P146-K148 PolarHBondContact O-N 3.38Å; K148-L152 PolarHBondContact O-N 2.9Å; K148-L152 VanDerWaalsContact O-N 3.12Å
149	G	97.6	Very high	97.4	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-59.5	-55.3	172.8	0	0	0	0	0	111.9	M131 P145 P146 H151 L152 A153	M131-G149 WeakPolarHBondContact CE-O 3.31Å; P145-G149 PolarHBondContact O-N 3.13Å; P146-G149 PolarHBondContact O-N 2.92Å; G149-H151 VanDerWaalsContact C-N 3.34Å; G149-H151 PolarHBondContact O-N 2.74Å; G149-L152 PolarHBondContact O-N 2.62Å; G149-A153 PolarHBondContact O-N 2.78Å
150	K	98	Very high	97.5	Very high	122 Å²	122	67.1 Å²	67.1	53%	0.53	35%	0.352	S	S	.	.	H	α-helix	trans	-57.1	-46.1	178.5	-172.7	177.4	179.7	-179	0	112.4	P146 L152 A153 D154 Y160	P146-K150 WeakPolarHBondContact O-CB 3.41Å; P146-K150 PolarHBondContact O-N 2.9Å; K150-L152 PolarHBondContact O-N 2.84Å; K150-A153 PolarHBondContact O-N 3.28Å; K150-D154 VanDerWaalsContact O-CG 3.27Å; K150-D154 PolarHBondContact O-N 2.89Å; K150-Y160 HydrophobicContact CB-CD1 3.91Å; K150-Y160 HydrophobicContact CB-CE1 4.19Å; K150-Y160 HydrophobicContact CG-CD1 4.48Å
151	H	98.4	Very high	97.6	Very high	111 Å²	111	62.8 Å²	62.8	51%	0.514	32%	0.32	S	S	.	.	H	α-helix	trans	-60.1	-43.7	-180	-173.3	71.1	0	0	0	112.5	E147 G149 D154 Q155	E147-H151 WeakPolarHBondContact O-CB 3.41Å; E147-H151 PolarHBondContact O-N 2.77Å; G149-H151 VanDerWaalsContact C-N 3.34Å; G149-H151 PolarHBondContact O-N 2.74Å; H151-D154 PolarHBondContact O-N 2.96Å; H151-Q155 PolarHBondContact NE2-NE2 3Å; H151-Q155 WeakPolarHBondContact O-CG 3.49Å; H151-Q155 PolarHBondContact O-N 3.44Å
152	L	98	Very high	97.6	Very high	9 Å²	9	58.3 Å²	58.3	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-66.9	-40.3	177.2	179.3	61.4	0	0	0	111.8	F109 V112 Q113 M131 K148 G149 K150 Q155 L156	F109-L152 HydrophobicContact CD2-CD2 4.46Å; F109-L152 HydrophobicContact CE1-CD2 4.07Å; F109-L152 HydrophobicContact CE2-CB 4.29Å; F109-L152 HydrophobicContact CE2-CD2 3.65Å; F109-L152 HydrophobicContact CZ-CB 3.86Å; F109-L152 HydrophobicContact CZ-CD2 3.43Å; F109-L152 VanDerWaalsContact CZ-CD2 3.43Å; F109-L152 HydrophobicContact CZ-CG 4.29Å; V112-L152 HydrophobicContact CB-CD2 4.03Å; V112-L152 HydrophobicContact CG1-CD2 3.78Å; Q113-L152 HydrophobicContact CG-CD1 4.03Å; M131-L152 HydrophobicContact CE-CB 4.34Å; K148-L152 PolarHBondContact O-N 2.9Å; K148-L152 VanDerWaalsContact O-N 3.12Å; G149-L152 PolarHBondContact O-N 2.62Å; K150-L152 PolarHBondContact O-N 2.84Å; L152-Q155 PolarHBondContact O-N 2.94Å; L152-L156 HydrophobicContact CD1-CD1 3.95Å; L152-L156 HydrophobicContact CD1-CG 4.16Å; L152-L156 HydrophobicContact CG-CD1 3.93Å; L152-L156 HydrophobicContact CG-CG 4.49Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.36Å; L152-L156 PolarHBondContact O-N 2.88Å
153	A	97.6	Very high	97.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-44.8	175	0	0	0	0	0	112	M131 G149 K150 Q155 L156 G157 F158 Y160	M131-A153 HydrophobicContact CB-CB 4.45Å; M131-A153 HydrophobicContact CE-CB 3.7Å; M131-A153 HydrophobicContact SD-CB 4.34Å; G149-A153 PolarHBondContact O-N 2.78Å; K150-A153 PolarHBondContact O-N 3.28Å; A153-Q155 VanDerWaalsContact C-N 3.33Å; A153-Q155 PolarHBondContact O-N 2.98Å; A153-L156 CarbonylContact O-C 3.54Å; A153-L156 PolarHBondContact O-N 2.93Å; A153-L156 VanDerWaalsContact O-N 3.13Å; A153-G157 PolarHBondContact O-N 3.28Å; A153-F158 HydrophobicContact CB-CB 4.43Å; A153-F158 PolarHBondContact O-N 3.3Å; A153-Y160 HydrophobicContact CB-CD2 4.41Å; A153-Y160 HydrophobicContact CB-CG 4.25Å
154	D	97.8	Very high	97.6	Very high	102 Å²	102	52.4 Å²	52.4	55%	0.545	27%	0.269	S	S	.	.	H	α-helix	trans	-60.2	-42.9	176.9	-68.3	-22.5	0	0	0	111.2	K150 H151 L156 G157	K150-D154 VanDerWaalsContact O-CG 3.27Å; K150-D154 PolarHBondContact O-N 2.89Å; H151-D154 PolarHBondContact O-N 2.96Å; D154-L156 VanDerWaalsContact C-N 3.31Å; D154-L156 PolarHBondContact O-N 3.49Å; D154-G157 PolarHBondContact O-N 3.37Å
155	Q	97.1	Very high	97.5	Very high	128 Å²	128	52.6 Å²	52.6	60%	0.598	27%	0.27	S	S	*	.	H	α-helix	trans	-62.6	-36.3	175.5	-74.3	179.2	-20.5	0	0	113.1	H151 L152 A153	H151-Q155 PolarHBondContact NE2-NE2 3Å; H151-Q155 WeakPolarHBondContact O-CG 3.49Å; H151-Q155 PolarHBondContact O-N 3.44Å; L152-Q155 PolarHBondContact O-N 2.94Å; A153-Q155 VanDerWaalsContact C-N 3.33Å; A153-Q155 PolarHBondContact O-N 2.98Å
156	L	95.1	Very high	97.4	Very high	35 Å²	35	53.8 Å²	53.8	18%	0.183	27%	0.269	C	S	.	.	H	α-helix	trans	-84.5	-13.5	179.6	-66.4	174	0	0	0	113	V112 A116 L152 A153 D154 F158	V112-L156 HydrophobicContact CG1-CD1 4.12Å; A116-L156 HydrophobicContact CB-CD1 4.06Å; A116-L156 HydrophobicContact CB-CD2 4.2Å; L152-L156 HydrophobicContact CD1-CD1 3.95Å; L152-L156 HydrophobicContact CD1-CG 4.16Å; L152-L156 HydrophobicContact CG-CD1 3.93Å; L152-L156 HydrophobicContact CG-CG 4.49Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.36Å; L152-L156 PolarHBondContact O-N 2.88Å; A153-L156 CarbonylContact O-C 3.54Å; A153-L156 PolarHBondContact O-N 2.93Å; A153-L156 VanDerWaalsContact O-N 3.13Å; D154-L156 VanDerWaalsContact C-N 3.31Å; D154-L156 PolarHBondContact O-N 3.49Å; L156-F158 HydrophobicContact CB-CD1 4.29Å; L156-F158 HydrophobicContact CB-CD2 3.68Å; L156-F158 HydrophobicContact CB-CE1 4.31Å; L156-F158 HydrophobicContact CB-CE2 3.72Å; L156-F158 HydrophobicContact CB-CG 3.99Å; L156-F158 HydrophobicContact CB-CZ 4.04Å; L156-F158 HydrophobicContact CD1-CD2 4.01Å; L156-F158 HydrophobicContact CD1-CE2 3.79Å; L156-F158 HydrophobicContact CG-CE2 4.31Å; L156-F158 WeakPolarHBondContact O-CE1 3.15Å
157	G	95.4	Very high	97.4	Very high	67 Å²	67	56.8 Å²	56.8	69%	0.691	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	32	-174.9	0	0	0	0	0	113.4	A153 D154	A153-G157 PolarHBondContact O-N 3.28Å; D154-G157 PolarHBondContact O-N 3.37Å
158	F	96.3	Very high	97.4	Very high	25 Å²	25	53.8 Å²	53.8	11%	0.11	27%	0.268	C	S	.	.			trans	-106.2	149.4	-178.8	-58.4	-18.8	0	0	0	111	L99 A116 V129 M131 A153 L156	L99-F158 HydrophobicContact CD2-CE2 4.14Å; A116-F158 HydrophobicContact CB-CE2 3.84Å; A116-F158 HydrophobicContact CB-CZ 4.01Å; V129-F158 HydrophobicContact CB-CD1 3.68Å; V129-F158 HydrophobicContact CB-CD2 4.28Å; V129-F158 HydrophobicContact CB-CE1 3.77Å; V129-F158 HydrophobicContact CB-CE2 4.34Å; V129-F158 HydrophobicContact CB-CG 3.96Å; V129-F158 HydrophobicContact CB-CZ 4.1Å; V129-F158 HydrophobicContact CG1-CD1 4.13Å; V129-F158 HydrophobicContact CG1-CD2 3.81Å; V129-F158 HydrophobicContact CG1-CE1 4.18Å; V129-F158 HydrophobicContact CG1-CE2 3.83Å; V129-F158 HydrophobicContact CG1-CG 3.96Å; V129-F158 HydrophobicContact CG1-CZ 4.03Å; V129-F158 HydrophobicContact CG2-CD1 4.29Å; V129-F158 HydrophobicContact CG2-CE1 3.89Å; V129-F158 HydrophobicContact CG2-CZ 4.15Å; M131-F158 HydrophobicContact CB-CB 4.42Å; A153-F158 HydrophobicContact CB-CB 4.43Å; A153-F158 PolarHBondContact O-N 3.3Å; L156-F158 HydrophobicContact CB-CD1 4.29Å; L156-F158 HydrophobicContact CB-CD2 3.68Å; L156-F158 HydrophobicContact CB-CE1 4.31Å; L156-F158 HydrophobicContact CB-CE2 3.72Å; L156-F158 HydrophobicContact CB-CG 3.99Å; L156-F158 HydrophobicContact CB-CZ 4.04Å; L156-F158 HydrophobicContact CD1-CD2 4.01Å; L156-F158 HydrophobicContact CD1-CE2 3.79Å; L156-F158 HydrophobicContact CG-CE2 4.31Å; L156-F158 WeakPolarHBondContact O-CE1 3.15Å
159	E	96.7	Very high	97.4	Very high	55 Å²	55	53.6 Å²	53.6	26%	0.257	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	150.4	164.4	-75.1	-167.6	-156.4	0	0	110.3	I130 M131 Y161 R177 I181	I130-E159 WeakPolarHBondContact CA-O 3.42Å; I130-E159 HydrophobicContact CG1-CB 4.24Å; M131-E159 PolarHBondContact N-O 3.19Å; E159-Y161 HydrophobicContact CB-CE2 4.43Å; E159-R177 VanDerWaalsContact CD-NE 3.35Å; E159-R177 IonicContact OE1-CZ 2.99Å; E159-R177 VanDerWaalsContact OE1-CZ 3.23Å; E159-R177 IonicContact OE1-NE 3.23Å; E159-R177 PolarHBondContact OE1-NE 2.95Å; E159-R177 IonicContact OE1-NH2 2.69Å; E159-R177 PolarHBondContact OE1-NH2 3.25Å; E159-R177 WeakPolarHBondContact OE2-CG 3.28Å; E159-R177 IonicContact OE2-CZ 2.74Å; E159-R177 IonicContact OE2-NE 3.85Å; E159-R177 PolarHBondContact OE2-NE 3.22Å; E159-R177 IonicContact OE2-NH2 2.8Å; E159-I181 HydrophobicContact CG-CD1 4.33Å; E159-I181 VanDerWaalsContact OE1-CD1 3.26Å; E159-I181 WeakPolarHBondContact OE1-CD1 3.47Å
160	Y	98.4	Very high	97.4	Very high	44 Å²	44	56 Å²	56	17%	0.173	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.1	-174.5	177.8	-112.9	0	0	0	112.7	Y101 M131 K150 A153 E162	Y101-Y160 HydrophobicContact CE1-CE2 4.01Å; Y101-Y160 PolarHBondContact OH-OH 2.99Å; M131-Y160 HydrophobicContact CB-CD2 4.28Å; M131-Y160 HydrophobicContact CE-CD2 3.6Å; M131-Y160 HydrophobicContact CE-CE2 3.85Å; M131-Y160 HydrophobicContact CG-CD2 4.36Å; M131-Y160 WeakPolarHBondContact O-CA 3.42Å; K150-Y160 HydrophobicContact CB-CD1 3.91Å; K150-Y160 HydrophobicContact CB-CE1 4.19Å; K150-Y160 HydrophobicContact CG-CD1 4.48Å; A153-Y160 HydrophobicContact CB-CD2 4.41Å; A153-Y160 HydrophobicContact CB-CG 4.25Å; Y160-E162 HydrophobicContact CE1-CG 4.14Å; Y160-E162 VanDerWaalsContact OH-CG 3.23Å; Y160-E162 WeakPolarHBondContact OH-CG 3.48Å; Y160-E162 PolarHBondContact OH-OE1 2.87Å
161	Y	98.6	Very high	97.4	Very high	60 Å²	60	50.2 Å²	50.2	24%	0.235	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.4	171.6	-69	-97.9	0	0	0	110.2	I130 M131 V132 G133 E159 N170 V174 R177	I130-Y161 HydrophobicContact CD1-CE2 4.48Å; I130-Y161 HydrophobicContact CG2-CD2 3.64Å; I130-Y161 HydrophobicContact CG2-CE2 4.17Å; M131-Y161 PolarHBondContact O-N 2.76Å; V132-Y161 CarbonylContact C-O 3.54Å; V132-Y161 VanDerWaalsContact CA-O 3.28Å; V132-Y161 WeakPolarHBondContact CA-O 3.46Å; G133-Y161 PolarHBondContact N-O 2.88Å; E159-Y161 HydrophobicContact CB-CE2 4.43Å; Y161-N170 HydrophobicContact CD1-CB 4.5Å; Y161-V174 HydrophobicContact CD1-CG2 4.37Å; Y161-V174 HydrophobicContact CD2-CG2 4.05Å; Y161-V174 HydrophobicContact CG-CG2 3.8Å; Y161-R177 HydrophobicContact CE2-CG 4.33Å
162	E	98.5	Very high	97.3	Very high	33 Å²	33	52 Å²	52	15%	0.154	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	142.2	155.2	-68.1	-159.4	158	0	0	109.8	G133 C136 R142 Y160 N170	G133-E162 CarbonylContact O-C 3.42Å; G133-E162 VanDerWaalsContact O-CA 3.27Å; G133-E162 WeakPolarHBondContact O-CA 3.26Å; C136-E162 HydrophobicContact CB-CB 4.06Å; R142-E162 IonicContact CZ-OE1 3.54Å; R142-E162 IonicContact CZ-OE2 3.96Å; R142-E162 IonicContact NH1-OE1 3.84Å; R142-E162 PolarHBondContact NH1-OE1 2.85Å; R142-E162 IonicContact NH1-OE2 2.79Å; R142-E162 PolarHBondContact NH1-OE2 2.83Å; R142-E162 IonicContact NH2-OE1 3.43Å; R142-E162 IonicContact NH2-OE2 2.91Å; R142-E162 PolarHBondContact NH2-OE2 2.91Å; Y160-E162 HydrophobicContact CE1-CG 4.14Å; Y160-E162 VanDerWaalsContact OH-CG 3.23Å; Y160-E162 WeakPolarHBondContact OH-CG 3.48Å; Y160-E162 PolarHBondContact OH-OE1 2.87Å; E162-N170 WeakPolarHBondContact O-CB 3.14Å; E162-N170 PolarHBondContact O-ND2 3.25Å
163	A	98.5	Very high	97.2	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	162	-174.3	0	0	0	0	0	112.3	F37 V132 G133 N134 K135 C136 I169 N170	F37-A163 HydrophobicContact CE2-CB 3.66Å; F37-A163 HydrophobicContact CZ-CB 4.29Å; V132-A163 HydrophobicContact CG1-CB 3.74Å; G133-A163 PolarHBondContact O-N 2.82Å; N134-A163 CarbonylContact C-O 3.57Å; N134-A163 VanDerWaalsContact CA-O 3.27Å; N134-A163 WeakPolarHBondContact CA-O 3.46Å; N134-A163 PolarHBondContact OD1-O 3.42Å; K135-A163 PolarHBondContact N-O 2.66Å; C136-A163 PolarHBondContact N-O 2.87Å; C136-A163 PolarHBondContact SG-O 3.46Å; C136-A163 VanDerWaalsContact SG-O 3.34Å; A163-I169 VanDerWaalsContact CA-O 3.26Å; A163-I169 WeakPolarHBondContact CA-O 3.2Å; A163-I169 VanDerWaalsContact CB-O 3.26Å; A163-I169 WeakPolarHBondContact CB-O 3.49Å; A163-N170 HydrophobicContact CB-CB 4.04Å
164	S	98.2	Very high	97.3	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-134.2	113.8	171.4	175.8	0	0	0	0	109.4	D137 K166 E167 N168 I169 V171	D137-S164 VanDerWaalsContact CG-OG 3.31Å; D137-S164 VanDerWaalsContact OD1-CB 3.28Å; D137-S164 WeakPolarHBondContact OD1-CB 3.32Å; D137-S164 PolarHBondContact OD1-OG 3.37Å; S164-K166 PolarHBondContact O-N 2.77Å; S164-K166 PolarHBondContact OG-N 3.46Å; S164-E167 PolarHBondContact OG-N 3.14Å; S164-N168 CarbonylContact O-C 3.51Å; S164-N168 VanDerWaalsContact O-CA 3.23Å; S164-N168 WeakPolarHBondContact O-CA 3.48Å; S164-N168 PolarHBondContact O-N 3.22Å; S164-I169 PolarHBondContact N-O 2.87Å; S164-I169 PolarHBondContact O-N 2.81Å; S164-V171 WeakPolarHBondContact O-CG2 3.4Å
165	A	96.9	Very high	97.2	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.025	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.3	168.7	0	0	0	0	0	112.2	F37 R40 F46 N134	F37-A165 HydrophobicContact CB-CB 4.28Å; F37-A165 HydrophobicContact CD2-CB 4.2Å; R40-A165 WeakPolarHBondContact CG-O 3.4Å; R40-A165 PolarHBondContact NE-O 3.01Å; F46-A165 HydrophobicContact CD2-CB 4.35Å; F46-A165 HydrophobicContact CE2-CB 4.32Å; N134-A165 PolarHBondContact OD1-N 3.31Å
166	K	96.1	Very high	97.2	Very high	82 Å²	82	47.1 Å²	47.1	36%	0.357	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-56.5	-178.2	-179.8	-178.8	163.3	-157.8	0	111.1	R40 F46 D137 S164 N168	R40-K166 PolarHBondContact NH2-O 2.89Å; F46-K166 HydrophobicContact CD1-CB 4.33Å; F46-K166 HydrophobicContact CD1-CG 4.1Å; F46-K166 HydrophobicContact CD2-CB 4.4Å; F46-K166 HydrophobicContact CE1-CB 3.86Å; F46-K166 HydrophobicContact CE1-CD 4.22Å; F46-K166 HydrophobicContact CE1-CG 3.65Å; F46-K166 HydrophobicContact CE2-CB 3.96Å; F46-K166 HydrophobicContact CZ-CB 3.68Å; F46-K166 HydrophobicContact CZ-CD 4.44Å; F46-K166 HydrophobicContact CZ-CG 3.98Å; D137-K166 WeakPolarHBondContact OD2-CD 3.46Å; D137-K166 IonicContact OD2-NZ 2.85Å; S164-K166 PolarHBondContact O-N 2.77Å; S164-K166 PolarHBondContact OG-N 3.46Å; K166-N168 VanDerWaalsContact C-N 3.28Å; K166-N168 PolarHBondContact O-N 2.82Å
167	E	96.8	Very high	97.3	Very high	108 Å²	108	50 Å²	50	51%	0.505	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	4.3	-177.4	-58.5	-56.3	142.6	0	0	113.1	D137 S164 I169	D137-E167 HydrophobicContact CB-CB 4.46Å; D137-E167 HydrophobicContact CB-CG 3.54Å; S164-E167 PolarHBondContact OG-N 3.14Å; E167-I169 VanDerWaalsContact C-N 3.26Å; E167-I169 HydrophobicContact CB-CD1 3.84Å; E167-I169 HydrophobicContact CB-CG1 3.9Å; E167-I169 PolarHBondContact O-N 3.14Å
168	N	96.5	Very high	97.4	Very high	70 Å²	70	46.9 Å²	46.9	37%	0.374	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	35.3	-178.4	-162	22.4	0	0	0	113.9	R40 S164 K166	R40-N168 WeakPolarHBondContact CD-OD1 3.39Å; R40-N168 HydrophobicContact CG-CB 4.35Å; R40-N168 WeakPolarHBondContact CG-OD1 3.26Å; S164-N168 CarbonylContact O-C 3.51Å; S164-N168 VanDerWaalsContact O-CA 3.23Å; S164-N168 WeakPolarHBondContact O-CA 3.48Å; S164-N168 PolarHBondContact O-N 3.22Å; K166-N168 VanDerWaalsContact C-N 3.28Å; K166-N168 PolarHBondContact O-N 2.82Å
169	I	98.3	Very high	97.4	Very high	71 Å²	71	45.8 Å²	45.8	36%	0.364	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-85.6	124.9	178.7	-59.2	170	0	0	0	108.6	A163 S164 E167 V171	A163-I169 VanDerWaalsContact CA-O 3.26Å; A163-I169 WeakPolarHBondContact CA-O 3.2Å; A163-I169 VanDerWaalsContact CB-O 3.26Å; A163-I169 WeakPolarHBondContact CB-O 3.49Å; S164-I169 PolarHBondContact N-O 2.87Å; S164-I169 PolarHBondContact O-N 2.81Å; E167-I169 VanDerWaalsContact C-N 3.26Å; E167-I169 HydrophobicContact CB-CD1 3.84Å; E167-I169 HydrophobicContact CB-CG1 3.9Å; E167-I169 PolarHBondContact O-N 3.14Å; I169-V171 PolarHBondContact O-N 3.38Å
170	N	98	Very high	97.3	Very high	51 Å²	51	45.8 Å²	45.8	27%	0.273	21%	0.206	S	C	.	.	S	Bend	trans	58.1	7.4	176	-66.6	-28.5	0	0	0	116.6	Y161 E162 A163 Q173 V174	Y161-N170 HydrophobicContact CD1-CB 4.5Å; E162-N170 WeakPolarHBondContact O-CB 3.14Å; E162-N170 PolarHBondContact O-ND2 3.25Å; A163-N170 HydrophobicContact CB-CB 4.04Å; N170-Q173 VanDerWaalsContact C-OE1 3.27Å; N170-Q173 PolarHBondContact O-N 2.83Å; N170-V174 VanDerWaalsContact O-CG2 3.28Å; N170-V174 WeakPolarHBondContact O-CG2 3.42Å; N170-V174 PolarHBondContact O-N 3.01Å
171	V	97.7	Very high	97.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-55.6	-177.2	-179.4	0	0	0	0	110.8	F37 R40 S164 I169 Q173 F175	F37-V171 HydrophobicContact CD1-CG1 4.25Å; F37-V171 HydrophobicContact CD2-CG1 4.27Å; F37-V171 HydrophobicContact CD2-CG2 4Å; F37-V171 HydrophobicContact CE1-CG1 4.09Å; F37-V171 HydrophobicContact CE2-CB 4.09Å; F37-V171 HydrophobicContact CE2-CG1 4.11Å; F37-V171 HydrophobicContact CE2-CG2 3.69Å; F37-V171 HydrophobicContact CG-CG1 4.34Å; F37-V171 HydrophobicContact CZ-CB 4.17Å; F37-V171 HydrophobicContact CZ-CG1 4.02Å; F37-V171 HydrophobicContact CZ-CG2 4.28Å; R40-V171 HydrophobicContact CB-CG1 4.22Å; R40-V171 HydrophobicContact CG-CB 4.19Å; R40-V171 HydrophobicContact CG-CG1 3.93Å; R40-V171 HydrophobicContact CG-CG2 3.9Å; S164-V171 WeakPolarHBondContact O-CG2 3.4Å; I169-V171 PolarHBondContact O-N 3.38Å; V171-Q173 PolarHBondContact O-N 3.36Å; V171-F175 HydrophobicContact CG1-CE2 4.44Å; V171-F175 VanDerWaalsContact O-CD2 3.29Å; V171-F175 WeakPolarHBondContact O-CD2 3.29Å
172	R	96	Very high	96.9	Very high	150 Å²	150	42.2 Å²	42.2	57%	0.566	19%	0.194	S	C	*	.	H	α-helix	trans	-63.4	-43.9	179	-179.9	175.2	175.2	166.7	-0.8	111.2	V174 F175 E176	R172-V174 VanDerWaalsContact C-N 3.3Å; R172-V174 PolarHBondContact O-N 2.92Å; R172-F175 PolarHBondContact O-N 3.32Å; R172-F175 VanDerWaalsContact O-N 3.15Å; R172-E176 HydrophobicContact CG-CG 3.88Å; R172-E176 IonicContact CZ-OE1 3.93Å; R172-E176 VanDerWaalsContact CZ-OE1 3.31Å; R172-E176 VanDerWaalsContact NE-CD 3.26Å; R172-E176 IonicContact NE-OE1 3.1Å; R172-E176 PolarHBondContact NE-OE1 2.82Å; R172-E176 IonicContact NE-OE2 2.82Å; R172-E176 PolarHBondContact NE-OE2 3.36Å; R172-E176 IonicContact NH2-OE1 2.98Å; R172-E176 PolarHBondContact NH2-OE1 3.44Å; R172-E176 WeakPolarHBondContact O-CB 3.35Å; R172-E176 VanDerWaalsContact O-CG 3.29Å; R172-E176 WeakPolarHBondContact O-CG 3.34Å; R172-E176 PolarHBondContact O-N 3.5Å
173	Q	97.4	Very high	96.6	Very high	91 Å²	91	41.9 Å²	41.9	43%	0.425	20%	0.195	S	C	.	.	H	α-helix	trans	-56.3	-43.6	-177.5	-67.7	81	-13.7	0	0	111.4	N170 V171 E176 R177	N170-Q173 VanDerWaalsContact C-OE1 3.27Å; N170-Q173 PolarHBondContact O-N 2.83Å; V171-Q173 PolarHBondContact O-N 3.36Å; Q173-E176 PolarHBondContact O-N 2.87Å; Q173-R177 WeakPolarHBondContact O-CB 3.48Å; Q173-R177 PolarHBondContact O-N 3.23Å
174	V	98.4	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-48.7	176.9	165.8	0	0	0	0	111.8	F37 I98 I130 V132 Y161 N170 R172 L178	F37-V174 HydrophobicContact CE1-CB 4.42Å; F37-V174 HydrophobicContact CE1-CG1 4.25Å; F37-V174 HydrophobicContact CZ-CB 4.1Å; F37-V174 HydrophobicContact CZ-CG1 4.28Å; F37-V174 HydrophobicContact CZ-CG2 4.29Å; I98-V174 HydrophobicContact CD1-CG1 3.83Å; I98-V174 HydrophobicContact CG1-CG1 4.05Å; I98-V174 HydrophobicContact CG2-CG1 4.3Å; I130-V174 HydrophobicContact CG2-CG1 4.21Å; V132-V174 HydrophobicContact CG2-CG1 3.87Å; V132-V174 HydrophobicContact CG2-CG2 3.96Å; Y161-V174 HydrophobicContact CD1-CG2 4.37Å; Y161-V174 HydrophobicContact CD2-CG2 4.05Å; Y161-V174 HydrophobicContact CG-CG2 3.8Å; N170-V174 VanDerWaalsContact O-CG2 3.28Å; N170-V174 WeakPolarHBondContact O-CG2 3.42Å; N170-V174 PolarHBondContact O-N 3.01Å; R172-V174 VanDerWaalsContact C-N 3.3Å; R172-V174 PolarHBondContact O-N 2.92Å; V174-L178 WeakPolarHBondContact O-CB 3.34Å; V174-L178 PolarHBondContact O-N 3.38Å
175	F	97.4	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-44.3	179.7	-76.6	-80.3	0	0	0	112	L24 I26 F37 Y41 I74 I98 V171 R172 L178 V179	L24-F175 HydrophobicContact CD1-CD1 4.42Å; I26-F175 HydrophobicContact CD1-CE1 4.39Å; I26-F175 HydrophobicContact CD1-CZ 3.88Å; F37-F175 AromaticContact CD1-CE2 3.54Å; F37-F175 HydrophobicContact CD1-CE2 3.54Å; F37-F175 AromaticContact CD1-CZ 3.98Å; F37-F175 HydrophobicContact CD1-CZ 3.98Å; F37-F175 HydrophobicContact CE1-CD2 4.02Å; F37-F175 AromaticContact CE1-CE2 3.38Å; F37-F175 HydrophobicContact CE1-CE2 3.38Å; F37-F175 HydrophobicContact CE1-CZ 4.08Å; Y41-F175 AromaticContact CD1-CD1 3.98Å; Y41-F175 HydrophobicContact CD1-CD1 3.98Å; Y41-F175 AromaticContact CD1-CD2 3.67Å; Y41-F175 HydrophobicContact CD1-CD2 3.67Å; Y41-F175 HydrophobicContact CD1-CE1 4.04Å; Y41-F175 AromaticContact CD1-CE2 3.74Å; Y41-F175 HydrophobicContact CD1-CE2 3.74Å; Y41-F175 AromaticContact CD1-CG 3.8Å; Y41-F175 HydrophobicContact CD1-CG 3.8Å; Y41-F175 AromaticContact CD1-CZ 3.92Å; Y41-F175 HydrophobicContact CD1-CZ 3.92Å; Y41-F175 HydrophobicContact CD2-CB 4.09Å; Y41-F175 AromaticContact CD2-CD2 3.46Å; Y41-F175 HydrophobicContact CD2-CD2 3.46Å; Y41-F175 VanDerWaalsContact CD2-CD2 3.46Å; Y41-F175 HydrophobicContact CD2-CE2 4.09Å; Y41-F175 AromaticContact CD2-CG 3.91Å; Y41-F175 HydrophobicContact CD2-CG 3.91Å; Y41-F175 HydrophobicContact CE1-CB 4.13Å; Y41-F175 AromaticContact CE1-CD1 3.9Å; Y41-F175 HydrophobicContact CE1-CD1 3.9Å; Y41-F175 HydrophobicContact CE1-CD2 4.12Å; Y41-F175 HydrophobicContact CE1-CE1 4.33Å; Y41-F175 AromaticContact CE1-CG 3.79Å; Y41-F175 HydrophobicContact CE1-CG 3.79Å; Y41-F175 HydrophobicContact CE2-CB 3.68Å; Y41-F175 AromaticContact CE2-CD2 3.97Å; Y41-F175 HydrophobicContact CE2-CD2 3.97Å; Y41-F175 AromaticContact CE2-CG 3.93Å; Y41-F175 HydrophobicContact CE2-CG 3.93Å; Y41-F175 HydrophobicContact CG-CB 4.49Å; Y41-F175 HydrophobicContact CG-CD1 4.45Å; Y41-F175 AromaticContact CG-CD2 3.3Å; Y41-F175 HydrophobicContact CG-CD2 3.3Å; Y41-F175 AromaticContact CG-CE2 3.46Å; Y41-F175 HydrophobicContact CG-CE2 3.46Å; Y41-F175 VanDerWaalsContact CG-CE2 3.46Å; Y41-F175 AromaticContact CG-CG 3.85Å; Y41-F175 HydrophobicContact CG-CG 3.85Å; Y41-F175 HydrophobicContact CG-CZ 4.11Å; Y41-F175 AromaticContact CZ-CG 3.86Å; I74-F175 HydrophobicContact CD1-CD1 4.16Å; I74-F175 HydrophobicContact CD1-CE1 3.83Å; I74-F175 HydrophobicContact CG1-CE1 4.46Å; I74-F175 HydrophobicContact CG2-CE1 4.09Å; I98-F175 HydrophobicContact CD1-CD1 3.7Å; I98-F175 HydrophobicContact CD1-CD2 4.41Å; I98-F175 HydrophobicContact CD1-CE1 3.35Å; I98-F175 HydrophobicContact CD1-CE2 4.11Å; I98-F175 HydrophobicContact CD1-CG 4.23Å; I98-F175 HydrophobicContact CD1-CZ 3.57Å; V171-F175 HydrophobicContact CG1-CE2 4.44Å; V171-F175 VanDerWaalsContact O-CD2 3.29Å; V171-F175 WeakPolarHBondContact O-CD2 3.29Å; R172-F175 PolarHBondContact O-N 3.32Å; R172-F175 VanDerWaalsContact O-N 3.15Å; F175-L178 PolarHBondContact O-N 3.08Å; F175-V179 VanDerWaalsContact O-CG2 3.29Å; F175-V179 WeakPolarHBondContact O-CG2 3.49Å; F175-V179 PolarHBondContact O-N 2.95Å
176	E	95.7	Very high	95.2	Very high	45 Å²	45	50.9 Å²	50.9	21%	0.21	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-45	179.2	-67.7	-167.7	140	0	0	111.1	R65 R172 Q173 L178 V179 D180	R65-E176 IonicContact CZ-OE1 2.6Å; R65-E176 VanDerWaalsContact NH2-CB 3.28Å; R65-E176 IonicContact NH2-OE1 3.86Å; R65-E176 PolarHBondContact NH2-OE1 2.55Å; R65-E176 IonicContact NH2-OE2 3.73Å; R172-E176 HydrophobicContact CG-CG 3.88Å; R172-E176 IonicContact CZ-OE1 3.93Å; R172-E176 VanDerWaalsContact CZ-OE1 3.31Å; R172-E176 VanDerWaalsContact NE-CD 3.26Å; R172-E176 IonicContact NE-OE1 3.1Å; R172-E176 PolarHBondContact NE-OE1 2.82Å; R172-E176 IonicContact NE-OE2 2.82Å; R172-E176 PolarHBondContact NE-OE2 3.36Å; R172-E176 IonicContact NH2-OE1 2.98Å; R172-E176 PolarHBondContact NH2-OE1 3.44Å; R172-E176 WeakPolarHBondContact O-CB 3.35Å; R172-E176 VanDerWaalsContact O-CG 3.29Å; R172-E176 WeakPolarHBondContact O-CG 3.34Å; R172-E176 PolarHBondContact O-N 3.5Å; Q173-E176 PolarHBondContact O-N 2.87Å; E176-L178 PolarHBondContact O-N 3.12Å; E176-V179 PolarHBondContact O-N 2.7Å; E176-D180 PolarHBondContact O-N 2.91Å
177	R	97.3	Very high	94.5	Very high	96 Å²	96	49.9 Å²	49.9	36%	0.362	24%	0.244	S	C	.	.	H	α-helix	trans	-62.1	-44.5	177	-178.4	59.8	-177.2	160.6	3	111.8	I130 E159 Y161 Q173 V179 D180 I181	I130-R177 HydrophobicContact CD1-CB 4.04Å; I130-R177 HydrophobicContact CD1-CG 3.9Å; E159-R177 VanDerWaalsContact CD-NE 3.35Å; E159-R177 IonicContact OE1-CZ 2.99Å; E159-R177 VanDerWaalsContact OE1-CZ 3.23Å; E159-R177 IonicContact OE1-NE 3.23Å; E159-R177 PolarHBondContact OE1-NE 2.95Å; E159-R177 IonicContact OE1-NH2 2.69Å; E159-R177 PolarHBondContact OE1-NH2 3.25Å; E159-R177 WeakPolarHBondContact OE2-CG 3.28Å; E159-R177 IonicContact OE2-CZ 2.74Å; E159-R177 IonicContact OE2-NE 3.85Å; E159-R177 PolarHBondContact OE2-NE 3.22Å; E159-R177 IonicContact OE2-NH2 2.8Å; Y161-R177 HydrophobicContact CE2-CG 4.33Å; Q173-R177 WeakPolarHBondContact O-CB 3.48Å; Q173-R177 PolarHBondContact O-N 3.23Å; R177-V179 VanDerWaalsContact C-N 3.3Å; R177-V179 PolarHBondContact O-N 3.28Å; R177-D180 PolarHBondContact O-N 2.79Å; R177-D180 VanDerWaalsContact O-N 3.17Å; R177-I181 HydrophobicContact CG-CD1 3.98Å; R177-I181 HydrophobicContact CG-CG1 4.42Å; R177-I181 VanDerWaalsContact O-CG1 3.27Å; R177-I181 WeakPolarHBondContact O-CG1 3.31Å; R177-I181 PolarHBondContact O-N 2.86Å
178	L	97.1	Very high	93.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-42.2	177.9	-178.5	56.2	0	0	0	111.6	L24 I98 Q128 I130 V174 F175 E176 I182	L24-L178 HydrophobicContact CD1-CD2 4.3Å; L24-L178 HydrophobicContact CD2-CD2 3.98Å; L24-L178 HydrophobicContact CD2-CG 4.25Å; I98-L178 HydrophobicContact CD1-CD2 4.4Å; I98-L178 HydrophobicContact CG1-CD2 3.81Å; Q128-L178 HydrophobicContact CB-CD1 3.81Å; I130-L178 HydrophobicContact CD1-CB 3.78Å; I130-L178 HydrophobicContact CG1-CB 4.37Å; I130-L178 HydrophobicContact CG1-CD1 4.24Å; V174-L178 WeakPolarHBondContact O-CB 3.34Å; V174-L178 PolarHBondContact O-N 3.38Å; F175-L178 PolarHBondContact O-N 3.08Å; E176-L178 PolarHBondContact O-N 3.12Å; L178-I182 HydrophobicContact CD1-CD1 4.01Å; L178-I182 HydrophobicContact CD1-CG1 4.37Å; L178-I182 HydrophobicContact CG-CD1 3.97Å; L178-I182 WeakPolarHBondContact O-CB 3.31Å; L178-I182 WeakPolarHBondContact O-CD1 3.26Å; L178-I182 WeakPolarHBondContact O-CG1 3.28Å; L178-I182 PolarHBondContact O-N 2.82Å; L178-I182 VanDerWaalsContact O-N 3.1Å
179	V	96.1	Very high	92.4	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-45	175	171.5	0	0	0	0	110.8	F22 V63 R65 I70 L72 F175 E176 R177 I182 C183	F22-V179 HydrophobicContact CD2-CG1 4.21Å; F22-V179 HydrophobicContact CD2-CG2 4.36Å; F22-V179 HydrophobicContact CE2-CG1 3.86Å; V63-V179 HydrophobicContact CG2-CG1 4.29Å; R65-V179 HydrophobicContact CG-CG1 3.9Å; I70-V179 HydrophobicContact CD1-CG1 3.96Å; L72-V179 HydrophobicContact CD1-CG2 3.9Å; L72-V179 HydrophobicContact CD2-CG2 3.58Å; L72-V179 HydrophobicContact CG-CG2 4.39Å; F175-V179 VanDerWaalsContact O-CG2 3.29Å; F175-V179 WeakPolarHBondContact O-CG2 3.49Å; F175-V179 PolarHBondContact O-N 2.95Å; E176-V179 PolarHBondContact O-N 2.7Å; R177-V179 VanDerWaalsContact C-N 3.3Å; R177-V179 PolarHBondContact O-N 3.28Å; V179-I182 PolarHBondContact O-N 3.4Å; V179-C183 PolarHBondContact O-N 3.43Å; V179-C183 PolarHBondContact O-SG 3.26Å
180	D	94.9	Very high	90.6	Very high	55 Å²	55	52.9 Å²	52.9	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-44	-179.1	-64.6	-18.1	0	0	0	111.9	R65 E176 R177 I182 C183 V184	R65-D180 WeakPolarHBondContact CD-OD1 3.44Å; R65-D180 IonicContact NE-OD1 2.87Å; R65-D180 PolarHBondContact NE-OD1 2.98Å; R65-D180 VanDerWaalsContact NE-OD1 3.13Å; E176-D180 PolarHBondContact O-N 2.91Å; R177-D180 PolarHBondContact O-N 2.79Å; R177-D180 VanDerWaalsContact O-N 3.17Å; D180-I182 VanDerWaalsContact C-N 3.32Å; D180-I182 PolarHBondContact O-N 2.87Å; D180-C183 WeakPolarHBondContact O-CB 3.16Å; D180-C183 PolarHBondContact O-N 2.84Å; D180-V184 WeakPolarHBondContact O-CG2 3.15Å; D180-V184 PolarHBondContact O-N 3.4Å
181	I	94.6	Very high	88.7	Confident	24 Å²	24	56.6 Å²	56.6	12%	0.123	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-43.1	176.8	-58.5	161.1	0	0	0	110.4	Q128 I130 E159 R177 C183 V184 K185	Q128-I181 HydrophobicContact CB-CG2 4.15Å; Q128-I181 HydrophobicContact CG-CB 4.47Å; Q128-I181 HydrophobicContact CG-CG2 3.71Å; I130-I181 HydrophobicContact CD1-CD1 4.16Å; I130-I181 HydrophobicContact CG1-CD1 4.37Å; E159-I181 HydrophobicContact CG-CD1 4.33Å; E159-I181 VanDerWaalsContact OE1-CD1 3.26Å; E159-I181 WeakPolarHBondContact OE1-CD1 3.47Å; R177-I181 HydrophobicContact CG-CD1 3.98Å; R177-I181 HydrophobicContact CG-CG1 4.42Å; R177-I181 VanDerWaalsContact O-CG1 3.27Å; R177-I181 WeakPolarHBondContact O-CG1 3.31Å; R177-I181 PolarHBondContact O-N 2.86Å; I181-C183 VanDerWaalsContact C-N 3.34Å; I181-C183 PolarHBondContact O-N 2.92Å; I181-V184 PolarHBondContact O-N 3.08Å; I181-K185 WeakPolarHBondContact O-CB 3.26Å; I181-K185 PolarHBondContact O-N 3.27Å
182	I	93.9	Very high	86.7	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-41.3	177.8	-69.7	166.9	0	0	0	111.1	F22 L24 M95 Q128 L178 V179 D180 M186	F22-I182 HydrophobicContact CD1-CG2 4.22Å; F22-I182 HydrophobicContact CD2-CB 4.25Å; F22-I182 HydrophobicContact CD2-CD1 4.38Å; F22-I182 HydrophobicContact CD2-CG2 3.76Å; F22-I182 HydrophobicContact CE1-CG2 4.08Å; F22-I182 HydrophobicContact CE2-CB 3.99Å; F22-I182 HydrophobicContact CE2-CG2 3.54Å; F22-I182 HydrophobicContact CG-CG2 4.12Å; F22-I182 HydrophobicContact CZ-CG2 3.74Å; L24-I182 HydrophobicContact CD2-CD1 3.55Å; M95-I182 HydrophobicContact CB-CD1 4.14Å; M95-I182 HydrophobicContact CB-CG2 4.31Å; M95-I182 HydrophobicContact CE-CG2 3.99Å; Q128-I182 HydrophobicContact CB-CG1 4.01Å; Q128-I182 HydrophobicContact CG-CG1 3.84Å; L178-I182 HydrophobicContact CD1-CD1 4.01Å; L178-I182 HydrophobicContact CD1-CG1 4.37Å; L178-I182 HydrophobicContact CG-CD1 3.97Å; L178-I182 WeakPolarHBondContact O-CB 3.31Å; L178-I182 WeakPolarHBondContact O-CD1 3.26Å; L178-I182 WeakPolarHBondContact O-CG1 3.28Å; L178-I182 PolarHBondContact O-N 2.82Å; L178-I182 VanDerWaalsContact O-N 3.1Å; V179-I182 PolarHBondContact O-N 3.4Å; D180-I182 VanDerWaalsContact C-N 3.32Å; D180-I182 PolarHBondContact O-N 2.87Å; I182-M186 HydrophobicContact CG2-CE 3.32Å; I182-M186 PolarHBondContact O-N 3.08Å
183	C	92.1	Very high	84.2	Confident	26 Å²	26	63.5 Å²	63.5	18%	0.176	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-48.6	175.1	-72.8	0	0	0	0	111.7	V179 D180 I181 K185 M186 S187	V179-C183 PolarHBondContact O-N 3.43Å; V179-C183 PolarHBondContact O-SG 3.26Å; D180-C183 WeakPolarHBondContact O-CB 3.16Å; D180-C183 PolarHBondContact O-N 2.84Å; I181-C183 VanDerWaalsContact C-N 3.34Å; I181-C183 PolarHBondContact O-N 2.92Å; C183-K185 PolarHBondContact O-N 2.76Å; C183-M186 PolarHBondContact O-N 2.83Å; C183-M186 VanDerWaalsContact O-N 3.1Å; C183-S187 PolarHBondContact O-N 2.9Å; C183-S187 PolarHBondContact O-OG 3.07Å
184	V	90.9	Very high	81.5	Confident	78 Å²	78	62.4 Å²	62.4	47%	0.473	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-47.5	178.8	171.9	0	0	0	0	111	D180 I181 M186 S187 E188	D180-V184 WeakPolarHBondContact O-CG2 3.15Å; D180-V184 PolarHBondContact O-N 3.4Å; I181-V184 PolarHBondContact O-N 3.08Å; V184-M186 PolarHBondContact O-N 3.13Å; V184-S187 WeakPolarHBondContact CA-OG 3.4Å; V184-S187 PolarHBondContact O-N 3.06Å; V184-S187 PolarHBondContact O-OG 2.95Å; V184-E188 WeakPolarHBondContact O-CG 3.29Å; V184-E188 PolarHBondContact O-N 3.22Å; V184-E188 VanDerWaalsContact O-N 3.08Å
185	K	88.2	Confident	78.9	Confident	66 Å²	66	68.3 Å²	68.3	29%	0.287	37%	0.369	S	S	.	.	H	α-helix	trans	-60.4	-28.1	175.9	-97.4	-89.6	-173.3	176.1	0	113.5	N126 Q128 I181 C183	N126-K185 PolarHBondContact OD1-NZ 3.28Å; Q128-K185 HydrophobicContact CG-CG 4.46Å; I181-K185 WeakPolarHBondContact O-CB 3.26Å; I181-K185 PolarHBondContact O-N 3.27Å; C183-K185 PolarHBondContact O-N 2.76Å
186	M	85.2	Confident	76.6	Confident	49 Å²	49	75.2 Å²	75.2	24%	0.241	41%	0.411	C	S	.	.	H	α-helix	trans	-80.4	-40.7	176	-97.8	-173.2	-80	0	0	112.5	F22 M95 I182 C183 V184 E188 R189 V190	F22-M186 HydrophobicContact CD1-CE 3.92Å; F22-M186 HydrophobicContact CE1-CE 3.14Å; F22-M186 HydrophobicContact CE1-SD 4.38Å; F22-M186 HydrophobicContact CE2-CE 4.41Å; F22-M186 HydrophobicContact CZ-CE 3.44Å; F22-M186 VanDerWaalsContact CZ-CE 3.44Å; M95-M186 HydrophobicContact CE-CE 3.17Å; M95-M186 HydrophobicContact CE-SD 3.68Å; M95-M186 HydrophobicContact SD-CE 4.49Å; I182-M186 HydrophobicContact CG2-CE 3.32Å; I182-M186 PolarHBondContact O-N 3.08Å; C183-M186 PolarHBondContact O-N 2.83Å; C183-M186 VanDerWaalsContact O-N 3.1Å; V184-M186 PolarHBondContact O-N 3.13Å; M186-E188 VanDerWaalsContact C-N 3.31Å; M186-E188 PolarHBondContact O-N 3.1Å; M186-R189 PolarHBondContact O-N 3.2Å; M186-V190 PolarHBondContact O-N 2.6Å
187	S	82.8	Confident	74.3	Confident	60 Å²	60	76.8 Å²	76.8	42%	0.42	43%	0.432	S	S	.	.	H	α-helix	trans	-61.2	-41	175.4	48.6	0	0	0	0	111.9	C183 V184 R189 V190 D191	C183-S187 PolarHBondContact O-N 2.9Å; C183-S187 PolarHBondContact O-OG 3.07Å; V184-S187 WeakPolarHBondContact CA-OG 3.4Å; V184-S187 PolarHBondContact O-N 3.06Å; V184-S187 PolarHBondContact O-OG 2.95Å; S187-R189 PolarHBondContact O-N 3.41Å; S187-R189 VanDerWaalsContact O-N 3.15Å; S187-V190 PolarHBondContact O-N 3.46Å; S187-V190 VanDerWaalsContact O-N 3.1Å; S187-D191 PolarHBondContact O-N 3.22Å
188	E	79.9	Confident	71.8	Confident	109 Å²	109	78.3 Å²	78.3	51%	0.509	45%	0.454	S	S	.	.	H	α-helix	trans	-59	-28.8	177.4	-72.4	174	173.8	0	0	113.4	V184 M186 V192	V184-E188 WeakPolarHBondContact O-CG 3.29Å; V184-E188 PolarHBondContact O-N 3.22Å; V184-E188 VanDerWaalsContact O-N 3.08Å; M186-E188 VanDerWaalsContact C-N 3.31Å; M186-E188 PolarHBondContact O-N 3.1Å; E188-V192 VanDerWaalsContact O-CG2 3.26Å; E188-V192 WeakPolarHBondContact O-CG2 3.45Å
189	R	68.5	Low	69.1	Low	99 Å²	99	82 Å²	82	37%	0.374	49%	0.491	S	S	.	.	H	α-helix	trans	-79.8	-33.5	177.3	-66	-166.1	-157.2	167.4	21.8	113.1	N126 M186 S187 D191 V192 E193	N126-R189 VanDerWaalsContact ND2-CZ 3.31Å; N126-R189 PolarHBondContact ND2-NH2 3.31Å; N126-R189 VanDerWaalsContact ND2-NH2 3.13Å; M186-R189 PolarHBondContact O-N 3.2Å; S187-R189 PolarHBondContact O-N 3.41Å; S187-R189 VanDerWaalsContact O-N 3.15Å; R189-D191 VanDerWaalsContact C-N 3.26Å; R189-D191 PolarHBondContact O-N 2.88Å; R189-V192 PolarHBondContact O-N 3.16Å; R189-E193 PolarHBondContact O-N 3.33Å
190	V	60.7	Low	66.6	Low	104 Å²	104	87.1 Å²	87.1	63%	0.63	53%	0.528	S	S	*	.	H	α-helix	trans	-66.6	-34.1	179.4	178	0	0	0	0	110.4	M186 S187	M186-V190 PolarHBondContact O-N 2.6Å; S187-V190 PolarHBondContact O-N 3.46Å; S187-V190 VanDerWaalsContact O-N 3.1Å
191	D	57.7	Low	63.9	Low	129 Å²	129	94 Å²	94	69%	0.69	56%	0.555	S	S	*	*	H	α-helix	trans	-74	-23.6	178.9	-65.8	-33.9	0	0	0	113.5	S187 R189	S187-D191 PolarHBondContact O-N 3.22Å; R189-D191 VanDerWaalsContact C-N 3.26Å; R189-D191 PolarHBondContact O-N 2.88Å
192	V	56.4	Low	61.1	Low	125 Å²	125	98.9 Å²	98.9	76%	0.758	59%	0.586	S	S	*	*	H	α-helix	trans	-86	-21.3	-179.9	-178.4	0	0	0	0	112.2	E188 R189	E188-V192 VanDerWaalsContact O-CG2 3.26Å; E188-V192 WeakPolarHBondContact O-CG2 3.45Å; R189-V192 PolarHBondContact O-N 3.16Å
193	E	43.1	Very low	58.4	Low	171 Å²	171	104.6 Å²	104.6	80%	0.799	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	18.4	178.2	-71.4	-174.3	169.7	0	0	114	R189	R189-E193 PolarHBondContact O-N 3.33Å
194	A	40	Very low	55.8	Low	68 Å²	68	114.2 Å²	114.2	56%	0.562	65%	0.654	S	S	*	*			trans	-63.1	130.3	173	0	0	0	0	0	110.8	V196	A194-V196 PolarHBondContact O-N 3.19Å
195	P	44.8	Very low	53.3	Low	124 Å²	124	118.5 Å²	118.5	81%	0.805	67%	0.674	S	S	*	*			trans	-68.2	126	-176.5	10.9	-6.5	0	0	0	110.3	A197	P195-A197 PolarHBondContact O-N 3.1Å
196	V	48.7	Very low	50.8	Low	144 Å²	144	121 Å²	121	87%	0.873	69%	0.694	S	S	*	*			trans	-57.6	103.7	164.3	-175.3	0	0	0	0	107.2	A194	A194-V196 PolarHBondContact O-N 3.19Å
197	A	47.8	Very low	48.4	Very low	79 Å²	79	126 Å²	126	65%	0.653	72%	0.722	S	S	*	*			trans	-58.4	137.5	176.3	0	0	0	0	0	109.8	P195 G199	P195-A197 PolarHBondContact O-N 3.1Å; A197-G199 PolarHBondContact O-N 3.43Å
198	P	45.2	Very low	46.2	Very low	128 Å²	128	132.3 Å²	132.3	83%	0.831	74%	0.742	S	S	*	*			trans	-69.3	111.5	175.3	28	-30.6	0	0	0	108.4	S200	P198-S200 PolarHBondContact O-N 3.24Å
199	G	38.7	Very low	44.2	Very low	76 Å²	76	132.5 Å²	132.5	78%	0.784	75%	0.753	S	S	*	*			trans	-57.1	120.3	178.2	0	0	0	0	0	111.7	A197 K201	A197-G199 PolarHBondContact O-N 3.43Å; G199-K201 PolarHBondContact O-N 3.33Å
200	S	43.6	Very low	42.7	Very low	111 Å²	111	132.9 Å²	132.9	78%	0.776	78%	0.777	S	S	*	*			trans	-69.4	114.2	162.6	47.4	0	0	0	0	109.6	P198	P198-S200 PolarHBondContact O-N 3.24Å
201	K	39.1	Very low	41.7	Very low	199 Å²	199	137 Å²	137	87%	0.865	79%	0.789	S	S	*	*			trans	-133.5	95.4	153.6	-75.5	-166.6	178.8	-179.9	0	109.9	G199 T203	G199-K201 PolarHBondContact O-N 3.33Å; K201-T203 PolarHBondContact O-N 2.74Å
202	T	36.7	Very low	41.2	Very low	126 Å²	126	139.1 Å²	139.1	77%	0.773	80%	0.799	S	S	*	*			trans	-69.6	112.5	160.6	-47.1	0	0	0	0	108.3
203	T	36.1	Very low	40.6	Very low	126 Å²	126	139.1 Å²	139.1	77%	0.773	80%	0.802	S	S	*	*			trans	-113.5	102.8	160.4	24.7	0	0	0	0	108.4	K201	K201-T203 PolarHBondContact O-N 2.74Å
204	R	37.6	Very low	40.5	Very low	227 Å²	227	140.2 Å²	140.2	86%	0.857	81%	0.807	S	S	*	*			trans	-70.8	122.7	160.3	-75.5	-179.3	176.1	-176.3	-1.2	107.5
205	L	38.3	Very low	40.7	Very low	169 Å²	169	146.6 Å²	146.6	89%	0.885	82%	0.822	S	S	*	*			trans	-112.5	114.1	164.2	-80.8	160.8	0	0	0	107.3
206	T	36.6	Very low	40.3	Very low	118 Å²	118	147 Å²	147	72%	0.724	83%	0.827	S	S	*	*			trans	-97.3	135.8	169.8	42.2	0	0	0	0	109.6
207	D	34.9	Very low	40	Very low	153 Å²	153	149.9 Å²	149.9	82%	0.818	85%	0.851	S	S	*	*			trans	53.7	131.7	149.7	-72.6	-52.2	0	0	0	119.2
208	K	36	Very low	39.6	Very low	193 Å²	193	153.5 Å²	153.5	84%	0.839	86%	0.861	S	S	*	*			cis	-172	173.9	38	-125.3	-174.1	170.4	178.2	0	109.3
209	P	37	Very low	39.3	Very low	114 Å²	114	154.8 Å²	154.8	74%	0.74	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-85.8	153.6	-164.3	35	-33.9	0	0	0	115
210	A	37.4	Very low	39.3	Very low	106 Å²	106	159.2 Å²	159.2	88%	0.876	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-76.1	130	178.1	0	0	0	0	0	112.8
211	Q	40.3	Very low	39.1	Very low	192 Å²	192	162 Å²	162	90%	0.897	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-99.5	137.7	164.5	-78.1	178.3	-17.6	0	0	110.1
212	L	46.7	Very low	39.1	Very low	172 Å²	172	159.7 Å²	159.7	90%	0.901	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-74.5	147.8	174.9	-70.9	140.3	0	0	0	111.5
213	P	45	Very low	39.2	Very low	125 Å²	125	161.9 Å²	161.9	81%	0.812	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-102	125.8	156.8	25.4	-11.9	0	0	0	111.9
214	Q	39.9	Very low	39.4	Very low	195 Å²	195	164.5 Å²	164.5	91%	0.911	89%	0.887	S	S	*	*	P	Polyproline II helix	trans	-69.3	143.6	165.1	-80.4	173.1	-49.5	0	0	111.2
215	K	43.4	Very low	39.6	Very low	202 Å²	202	159.7 Å²	159.7	88%	0.878	89%	0.889	S	S	*	*	P	Polyproline II helix	trans	-72.4	145.2	162	-77	176.2	170.6	179	0	110.5
216	C	37.8	Very low	39.7	Very low	133 Å²	133	158.9 Å²	158.9	90%	0.899	89%	0.889	S	S	*	*			trans	-159.9	156.2	133.4	-101.7	0	0	0	0	111.3
217	C	41.2	Very low	40	Very low	204 Å²	204	162.6 Å²	162.6	100%	1.378	91%	0.905	S	S	*	*			trans	-53.4	0	173	-62	0	0	0	0	113.8

Retrieved 217 of 217 residues in 257.6 ms (Link to these results)

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