A0A087XG90_POEFO Loading...

Rho family GTPase 2

AlphaFold DB , UniProt , Accession A0A087XG90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	T	44	Very low	45.2	Very low	194 Å²	194	173.1 Å²	173.1	100%	1.19	87%	0.865	S	S	*	*				0	89.5	0	31.9	0	0	0	0	109
2	T	38.8	Very low	45.4	Very low	144 Å²	144	167.8 Å²	167.8	88%	0.883	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-80.4	117.8	-175.7	42.7	0	0	0	0	111
3	R	41.7	Very low	45.5	Very low	248 Å²	248	166.9 Å²	166.9	94%	0.936	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-95.1	118.4	164.4	-78.8	-173.5	-176.2	-169.9	1.2	108.9
4	R	45.8	Very low	45.5	Very low	236 Å²	236	163.1 Å²	163.1	89%	0.891	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-77.5	142.6	165.8	-69	178.4	177	178.2	-1.9	108.6
5	P	46.3	Very low	45.8	Very low	119 Å²	119	161.5 Å²	161.5	77%	0.773	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-82.4	135.5	161.8	19.5	-6.4	0	0	0	109.9	L7	P5-L7 PolarHBondContact O-N 3.31Å
6	D	45.3	Very low	45.9	Very low	165 Å²	165	162.6 Å²	162.6	88%	0.882	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-63.1	118	172.8	-81.2	-45.6	0	0	0	110.6
7	L	50.4	Low	46.2	Very low	173 Å²	173	163.6 Å²	163.6	91%	0.906	84%	0.842	S	S	*	*			trans	-89.9	95.7	161.3	-83.2	158.4	0	0	0	107.2	P5	P5-L7 PolarHBondContact O-N 3.31Å
8	N	47.8	Very low	46.5	Very low	137 Å²	137	160.8 Å²	160.8	73%	0.733	84%	0.838	S	S	*	*			trans	-149.1	69.4	165.8	-120.2	1.9	0	0	0	109.6
9	D	45.9	Very low	47.3	Very low	149 Å²	149	159.9 Å²	159.9	80%	0.797	83%	0.827	S	S	*	*			trans	-110.3	79.2	162.6	-142.7	2.1	0	0	0	107.3	Q11	D9-Q11 PolarHBondContact O-N 2.97Å
10	K	48	Very low	48.2	Very low	184 Å²	184	155.8 Å²	155.8	80%	0.8	82%	0.818	S	S	*	*			trans	-72.3	89.9	167.2	-79.3	-174.2	178.8	-178.2	0	106.7	S12	K10-S12 VanDerWaalsContact C-N 3.33Å; K10-S12 PolarHBondContact O-N 2.95Å
11	Q	43.1	Very low	49.5	Very low	155 Å²	155	152.7 Å²	152.7	72%	0.724	80%	0.801	S	S	*	*			trans	-57.4	99.4	163.9	-111.9	159.6	7.2	0	0	108.5	D9 H13	D9-Q11 PolarHBondContact O-N 2.97Å; Q11-H13 VanDerWaalsContact C-N 3.34Å; Q11-H13 PolarHBondContact O-N 3.26Å
12	S	48	Very low	51.7	Low	109 Å²	109	146.2 Å²	146.2	76%	0.762	76%	0.759	S	S	*	*			trans	-69	94.1	168.3	54.1	0	0	0	0	107.7	K10	K10-S12 VanDerWaalsContact C-N 3.33Å; K10-S12 PolarHBondContact O-N 2.95Å
13	H	46.5	Very low	54.3	Low	157 Å²	157	147.8 Å²	147.8	73%	0.727	75%	0.749	S	S	*	*			trans	-56.8	127.2	162	-70.9	-72.1	0	0	0	107.8	Q11 V15	Q11-H13 VanDerWaalsContact C-N 3.34Å; Q11-H13 PolarHBondContact O-N 3.26Å; H13-V15 PolarHBondContact O-N 3.17Å
14	P	45.5	Very low	56.9	Low	113 Å²	113	136 Å²	136	73%	0.734	71%	0.705	S	S	*	*			trans	-60.9	115.6	171.7	23.8	-29.1	0	0	0	107	M16	P14-M16 VanDerWaalsContact C-N 3.34Å; P14-M16 PolarHBondContact O-N 3.03Å
15	V	49.6	Very low	59.4	Low	140 Å²	140	126.5 Å²	126.5	85%	0.848	67%	0.67	S	S	*	*			trans	-57.7	105.7	165.3	177.8	0	0	0	0	104.6	H13 E17	H13-V15 PolarHBondContact O-N 3.17Å; V15-E17 VanDerWaalsContact C-N 3.29Å; V15-E17 PolarHBondContact O-N 3.21Å
16	M	48.4	Very low	61.9	Low	178 Å²	178	120.9 Å²	120.9	88%	0.877	63%	0.633	S	S	*	*			trans	-60.9	101.4	170.6	-80.8	-165	-103.3	0	0	106.1	P14 S18	P14-M16 VanDerWaalsContact C-N 3.34Å; P14-M16 PolarHBondContact O-N 3.03Å; M16-S18 PolarHBondContact O-N 3.18Å
17	E	50.8	Low	64.4	Low	181 Å²	181	113 Å²	113	85%	0.846	59%	0.591	S	S	*	*			trans	-53.3	111.8	170.8	-166.7	168.8	-152.8	0	0	106.4	V15 K19	V15-E17 VanDerWaalsContact C-N 3.29Å; V15-E17 PolarHBondContact O-N 3.21Å; E17-K19 VanDerWaalsContact C-N 3.3Å; E17-K19 PolarHBondContact O-N 3.1Å
18	S	50.8	Low	66.7	Low	112 Å²	112	104.8 Å²	104.8	78%	0.783	55%	0.548	S	S	*	.			trans	-62.9	96.4	-179.4	53.4	0	0	0	0	107.4	M16 A20	M16-S18 PolarHBondContact O-N 3.18Å; S18-A20 PolarHBondContact O-N 3.25Å
19	K	61.3	Low	69.2	Low	145 Å²	145	98.2 Å²	98.2	63%	0.63	51%	0.513	S	S	*	.			trans	-53.3	116.7	174.8	-133.7	-179.7	-177.5	-159	0	106.8	E17 L21 Q69	E17-K19 VanDerWaalsContact C-N 3.3Å; E17-K19 PolarHBondContact O-N 3.1Å; K19-L21 PolarHBondContact O-N 3.35Å; K19-Q69 VanDerWaalsContact CD-OE1 3.26Å
20	A	66.9	Low	71.7	Confident	77 Å²	77	91.1 Å²	91.1	64%	0.636	48%	0.475	S	S	*	.			trans	-52.6	128.6	-178	0	0	0	0	0	109.4	S18 L22	S18-A20 PolarHBondContact O-N 3.25Å; A20-L22 PolarHBondContact O-N 2.65Å; A20-L22 VanDerWaalsContact O-N 3.15Å
21	L	75.2	Confident	74.1	Confident	90 Å²	90	83.6 Å²	83.6	47%	0.471	44%	0.444	S	S	.	.			trans	-67.2	114.2	175.8	-178.6	65.6	0	0	0	107.8	K19 E72	K19-L21 PolarHBondContact O-N 3.35Å; L21-E72 HydrophobicContact CD2-CB 4.29Å; L21-E72 VanDerWaalsContact CD2-OE2 3.32Å; L21-E72 WeakPolarHBondContact CD2-OE2 3.23Å; L21-E72 HydrophobicContact CG-CB 4.41Å
22	L	90.4	Very high	76.7	Confident	59 Å²	59	78.2 Å²	78.2	31%	0.309	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.1	174	-63.9	179.4	0	0	0	108.3	A20 Q69 I71 E72 V198 F199	A20-L22 PolarHBondContact O-N 2.65Å; A20-L22 VanDerWaalsContact O-N 3.15Å; L22-Q69 HydrophobicContact CD1-CG 3.56Å; L22-Q69 HydrophobicContact CG-CG 4.29Å; L22-I71 HydrophobicContact CB-CB 4.43Å; L22-I71 HydrophobicContact CB-CG1 3.95Å; L22-I71 HydrophobicContact CB-CG2 4.2Å; L22-I71 HydrophobicContact CD1-CG1 4.29Å; L22-I71 CarbonylContact O-C 3.5Å; L22-I71 WeakPolarHBondContact O-CA 3.32Å; L22-E72 PolarHBondContact O-N 3.22Å; L22-V198 HydrophobicContact CB-CG1 4.42Å; L22-V198 HydrophobicContact CD1-CG1 3.71Å; L22-F199 HydrophobicContact CD1-CZ 4.33Å
23	R	93.7	Very high	79.1	Confident	177 Å²	177	78.6 Å²	78.6	67%	0.668	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.9	175.5	-63.7	-172.2	166.3	162.5	2.3	109	E72	R23-E72 CarbonylContact C-O 3.5Å; R23-E72 WeakPolarHBondContact CA-O 3.38Å; R23-E72 HydrophobicContact CG-CB 4.26Å; R23-E72 IonicContact CZ-OE2 2.71Å; R23-E72 IonicContact NE-OE2 2.96Å; R23-E72 PolarHBondContact NE-OE2 3.14Å; R23-E72 IonicContact NH2-OE2 2.74Å; R23-E72 PolarHBondContact NH2-OE2 3.34Å
24	C	95.8	Very high	81.6	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.007	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	116.6	175.8	-178.9	0	0	0	0	108.9	I71 E72 L73 N74 D96 V198	C24-I71 HydrophobicContact CB-CG2 4.06Å; C24-E72 PolarHBondContact N-O 2.69Å; C24-L73 HydrophobicContact CB-CD2 3.65Å; C24-L73 WeakPolarHBondContact O-CA 3.02Å; C24-N74 PolarHBondContact O-N 2.99Å; C24-D96 VanDerWaalsContact CA-OD2 3.31Å; C24-D96 WeakPolarHBondContact CA-OD2 3.47Å; C24-V198 HydrophobicContact CB-CG2 3.78Å
25	K	97.7	Very high	84.1	Confident	36 Å²	36	66.4 Å²	66.4	16%	0.157	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.5	173.7	178.9	174.7	170	174.8	0	109.9	N74 A91 P93 D96 A97	K25-N74 CarbonylContact C-O 3.48Å; K25-N74 WeakPolarHBondContact CA-O 3.26Å; K25-A91 WeakPolarHBondContact CE-O 3.24Å; K25-A91 PolarHBondContact NZ-O 2.86Å; K25-P93 WeakPolarHBondContact CE-O 3.41Å; K25-P93 PolarHBondContact NZ-O 2.93Å; K25-D96 PolarHBondContact N-OD2 2.87Å; K25-D96 PolarHBondContact O-N 2.8Å; K25-A97 PolarHBondContact O-N 2.91Å; K25-A97 VanDerWaalsContact O-N 3.11Å
26	I	98.5	Very high	86.4	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.7	-179.2	-57.3	172.2	0	0	0	108.7	V28 L73 N74 M75 W76 A97 L99 F190 T193	I26-V28 HydrophobicContact CG2-CG2 4.37Å; I26-L73 HydrophobicContact CD1-CD1 4.43Å; I26-L73 HydrophobicContact CD1-CD2 4.32Å; I26-N74 PolarHBondContact N-O 2.85Å; I26-M75 HydrophobicContact CB-CG 4.31Å; I26-M75 HydrophobicContact CD1-CG 4.5Å; I26-M75 CarbonylContact O-C 3.4Å; I26-M75 VanDerWaalsContact O-CA 3.27Å; I26-M75 WeakPolarHBondContact O-CA 3.47Å; I26-W76 PolarHBondContact O-N 3.46Å; I26-A97 WeakPolarHBondContact CA-O 3.41Å; I26-A97 HydrophobicContact CG1-CB 4.19Å; I26-L99 HydrophobicContact CG2-CD1 4.13Å; I26-L99 HydrophobicContact CG2-CG 3.78Å; I26-F190 HydrophobicContact CD1-CD1 4.15Å; I26-T193 HydrophobicContact CD1-CG2 3.94Å; I26-T193 HydrophobicContact CG1-CG2 4.26Å; I26-T193 HydrophobicContact CG2-CG2 4.4Å
27	V	98.7	Very high	88.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134	171.2	177.6	0	0	0	0	109.6	V29 W76 T78 A91 Y92 S95 A97 V98 L99	V27-V29 HydrophobicContact CG1-CG1 3.88Å; V27-W76 HydrophobicContact CB-CB 4.5Å; V27-W76 HydrophobicContact CG2-CB 4.05Å; V27-W76 HydrophobicContact CG2-CG 4.25Å; V27-T78 HydrophobicContact CG1-CG2 4.07Å; V27-A91 HydrophobicContact CG1-CB 3.96Å; V27-A91 HydrophobicContact CG2-CB 4.14Å; V27-A91 VanDerWaalsContact CG2-O 3.32Å; V27-A91 WeakPolarHBondContact CG2-O 3.44Å; V27-Y92 HydrophobicContact CB-CD1 4.28Å; V27-Y92 HydrophobicContact CB-CE1 4.45Å; V27-Y92 HydrophobicContact CG1-CD1 3.93Å; V27-Y92 HydrophobicContact CG1-CE1 3.8Å; V27-Y92 HydrophobicContact CG2-CD1 4.43Å; V27-S95 WeakPolarHBondContact CG2-OG 3.2Å; V27-A97 PolarHBondContact N-O 3.05Å; V27-V98 CarbonylContact O-C 3.57Å; V27-V98 VanDerWaalsContact O-CA 3.31Å; V27-V98 WeakPolarHBondContact O-CA 3.3Å; V27-L99 PolarHBondContact O-N 3.43Å
28	V	98.8	Very high	91.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.9	179.9	-169.9	0	0	0	0	109.7	I26 K36 L40 W76 T78 L99	I26-V28 HydrophobicContact CG2-CG2 4.37Å; V28-K36 HydrophobicContact CG1-CB 3.77Å; V28-K36 HydrophobicContact CG1-CD 4.05Å; V28-K36 HydrophobicContact CG1-CG 3.81Å; V28-L40 HydrophobicContact CB-CD1 4.01Å; V28-L40 HydrophobicContact CG2-CD1 3.75Å; V28-L40 HydrophobicContact CG2-CD2 3.83Å; V28-L40 HydrophobicContact CG2-CG 4Å; V28-W76 PolarHBondContact N-O 3.27Å; V28-T78 PolarHBondContact O-OG1 3.2Å; V28-L99 HydrophobicContact CB-CB 4.44Å; V28-L99 HydrophobicContact CG1-CB 4.13Å; V28-L99 HydrophobicContact CG2-CB 4.18Å; V28-L99 HydrophobicContact CG2-CD1 3.96Å; V28-L99 HydrophobicContact CG2-CG 4.29Å
29	V	98.8	Very high	93.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	166.7	-179.2	-58.6	0	0	0	0	111.6	V27 K36 T78 Y92 V98 L99 I100 C101 W117	V27-V29 HydrophobicContact CG1-CG1 3.88Å; V29-K36 VanDerWaalsContact C-CD 3.41Å; V29-T78 HydrophobicContact CG1-CG2 4.49Å; V29-Y92 HydrophobicContact CG1-CE1 3.94Å; V29-Y92 WeakPolarHBondContact CG1-OH 3.4Å; V29-V98 HydrophobicContact CG2-CG1 3.86Å; V29-L99 PolarHBondContact N-O 3.16Å; V29-I100 HydrophobicContact CG2-CG1 3.99Å; V29-C101 PolarHBondContact O-N 3.44Å; V29-W117 HydrophobicContact CB-CE3 3.82Å; V29-W117 HydrophobicContact CB-CZ3 4.01Å; V29-W117 HydrophobicContact CG2-CE3 4.04Å
30	G	98.8	Very high	95.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.4	168	-172.7	0	0	0	0	0	112.3	K36 G80 C101 W117	G30-K36 PolarHBondContact O-NZ 2.98Å; G30-G80 WeakPolarHBondContact O-CA 3.32Å; G30-C101 VanDerWaalsContact CA-O 3.28Å; G30-C101 WeakPolarHBondContact CA-O 3.34Å; G30-W117 VanDerWaalsContact C-CE2 3.43Å; G30-W117 VanDerWaalsContact CA-CE2 3.44Å; G30-W117 VanDerWaalsContact O-CZ2 3.28Å; G30-W117 WeakPolarHBondContact O-CZ2 3.4Å
31	D	98.8	Very high	96.5	Very high	26 Å²	26	31 Å²	31	14%	0.139	15%	0.154	C	C	.	.	S	Bend	trans	-56.8	155.6	-174.5	-75.6	18.6	0	0	0	113	Q33 C34 K36 T109 S112 W117	D31-Q33 PolarHBondContact O-N 3.29Å; D31-C34 HydrophobicContact CB-CB 4.49Å; D31-C34 WeakPolarHBondContact O-CB 3.44Å; D31-C34 PolarHBondContact O-N 3.09Å; D31-C34 PolarHBondContact O-SG 3.5Å; D31-K36 PolarHBondContact O-NZ 3.01Å; D31-T109 HydrophobicContact CB-CG2 3.83Å; D31-S112 WeakPolarHBondContact OD1-CB 3.35Å; D31-S112 PolarHBondContact OD1-OG 2.88Å; D31-S112 WeakPolarHBondContact OD2-CB 3.37Å; D31-S112 PolarHBondContact OD2-OG 3.44Å; D31-W117 PolarHBondContact OD1-NE1 2.91Å
32	S	98.2	Very high	97.6	Very high	41 Å²	41	27 Å²	27	29%	0.287	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	139.5	171.3	-69.9	0	0	0	0	110.3	C34 S81 R106	S32-C34 PolarHBondContact O-N 3.47Å; S32-C34 VanDerWaalsContact O-N 3.1Å; S32-S81 PolarHBondContact OG-N 2.93Å; S32-S81 VanDerWaalsContact OG-N 3.16Å; S32-R106 PolarHBondContact O-NH2 2.98Å
33	Q	97.9	Very high	97.9	Very high	118 Å²	118	24.9 Å²	24.9	55%	0.551	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	15.7	178.4	-56.1	175.1	56	0	0	115.3	D31 G35 Y52 R106 K136	D31-Q33 PolarHBondContact O-N 3.29Å; Q33-G35 VanDerWaalsContact C-N 3.32Å; Q33-G35 PolarHBondContact O-N 3.07Å; Q33-Y52 HydrophobicContact CG-CD1 4.47Å; Q33-Y52 HydrophobicContact CG-CE1 3.75Å; Q33-Y52 HydrophobicContact CG-CE2 3.89Å; Q33-Y52 VanDerWaalsContact CG-CZ 3.43Å; Q33-Y52 WeakPolarHBondContact CG-OH 3.45Å; Q33-R106 PolarHBondContact O-NH2 2.8Å; Q33-K136 WeakPolarHBondContact O-CE 3.47Å; Q33-K136 PolarHBondContact O-NZ 2.69Å
34	C	98.5	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-73.9	-20.7	179.6	72.1	0	0	0	0	114.3	D31 S32 K36 C101 D103 C135	D31-C34 HydrophobicContact CB-CB 4.49Å; D31-C34 WeakPolarHBondContact O-CB 3.44Å; D31-C34 PolarHBondContact O-N 3.09Å; D31-C34 PolarHBondContact O-SG 3.5Å; S32-C34 PolarHBondContact O-N 3.47Å; S32-C34 VanDerWaalsContact O-N 3.1Å; C34-K36 VanDerWaalsContact SG-CG 3.6Å; C34-C101 PolarHBondContact SG-O 2.98Å; C34-D103 HydrophobicContact CB-CB 4.01Å; C34-C135 WeakPolarHBondContact O-CB 3.33Å
35	G	98.3	Very high	98	Very high	13 Å²	13	23.1 Å²	23.1	13%	0.134	12%	0.124	C	C	.	.	S	Bend	trans	128.4	1.2	176.1	0	0	0	0	0	115.8	Q33 T37 A38 L39	Q33-G35 VanDerWaalsContact C-N 3.32Å; Q33-G35 PolarHBondContact O-N 3.07Å; G35-T37 PolarHBondContact O-N 2.64Å; G35-A38 PolarHBondContact O-N 2.94Å; G35-L39 WeakPolarHBondContact O-CB 3.28Å; G35-L39 PolarHBondContact O-N 2.92Å
36	K	98.6	Very high	97.8	Very high	9 Å²	9	26.2 Å²	26.2	4%	0.039	14%	0.143	C	C	.	.	H	α-helix	trans	-49.6	-55.7	-177.9	-55.3	-174.2	-61.6	-72.5	0	113.9	V28 V29 G30 D31 C34 A38 L39 L40 T78 C101	V28-K36 HydrophobicContact CG1-CB 3.77Å; V28-K36 HydrophobicContact CG1-CD 4.05Å; V28-K36 HydrophobicContact CG1-CG 3.81Å; V29-K36 VanDerWaalsContact C-CD 3.41Å; G30-K36 PolarHBondContact O-NZ 2.98Å; D31-K36 PolarHBondContact O-NZ 3.01Å; C34-K36 VanDerWaalsContact SG-CG 3.6Å; K36-A38 PolarHBondContact O-N 2.96Å; K36-L39 WeakPolarHBondContact O-CB 3.48Å; K36-L39 PolarHBondContact O-N 3.21Å; K36-L40 PolarHBondContact O-N 2.84Å; K36-T78 WeakPolarHBondContact CE-O 3.35Å; K36-C101 HydrophobicContact CG-CB 3.93Å
37	T	98.3	Very high	97.6	Very high	33 Å²	33	29.2 Å²	29.2	20%	0.202	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-41	-178	-45.3	0	0	0	0	111.7	G35 L39 L40 H41 T55 D77	G35-T37 PolarHBondContact O-N 2.64Å; T37-L39 PolarHBondContact O-N 3.1Å; T37-L40 PolarHBondContact O-N 2.83Å; T37-H41 WeakPolarHBondContact O-CB 3.47Å; T37-H41 PolarHBondContact O-N 2.87Å; T37-T55 PolarHBondContact OG1-OG1 3.39Å; T37-D77 WeakPolarHBondContact CA-OD2 3.42Å; T37-D77 VanDerWaalsContact CB-OD2 3.26Å; T37-D77 WeakPolarHBondContact CB-OD2 3.1Å; T37-D77 WeakPolarHBondContact CG2-OD2 3.28Å; T37-D77 PolarHBondContact OG1-OD2 3.47Å
38	A	98.3	Very high	97.3	Very high	12 Å²	12	33 Å²	33	10%	0.099	18%	0.179	C	C	.	.	H	α-helix	trans	-64.6	-41	176.3	0	0	0	0	0	111.9	G35 K36 V42 Y48 P49	G35-A38 PolarHBondContact O-N 2.94Å; K36-A38 PolarHBondContact O-N 2.96Å; A38-V42 WeakPolarHBondContact O-CB 3.4Å; A38-V42 WeakPolarHBondContact O-CG2 3.44Å; A38-V42 PolarHBondContact O-N 2.9Å; A38-Y48 HydrophobicContact CB-CD2 4.35Å; A38-Y48 HydrophobicContact CB-CE2 3.78Å; A38-P49 HydrophobicContact CB-CG 4.04Å
39	L	98.6	Very high	97	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.7	-49.6	174.7	172.3	66.1	0	0	0	111.5	G35 K36 T37 F43 L99 V133 S179 V186 V189 F190	G35-L39 WeakPolarHBondContact O-CB 3.28Å; G35-L39 PolarHBondContact O-N 2.92Å; K36-L39 WeakPolarHBondContact O-CB 3.48Å; K36-L39 PolarHBondContact O-N 3.21Å; T37-L39 PolarHBondContact O-N 3.1Å; L39-F43 WeakPolarHBondContact O-CB 3.46Å; L39-F43 PolarHBondContact O-N 2.8Å; L39-L99 HydrophobicContact CD2-CD1 4.22Å; L39-V133 HydrophobicContact CD2-CG1 4.32Å; L39-S179 WeakPolarHBondContact CA-OG 3.39Å; L39-S179 PolarHBondContact N-OG 3.11Å; L39-V186 HydrophobicContact CD1-CB 4.22Å; L39-V186 HydrophobicContact CD1-CG1 3.81Å; L39-V186 HydrophobicContact CD1-CG2 3.98Å; L39-V189 HydrophobicContact CD1-CB 4.42Å; L39-V189 HydrophobicContact CD1-CG2 4.32Å; L39-V189 HydrophobicContact CD2-CG1 4.38Å; L39-F190 HydrophobicContact CD1-CE2 3.83Å; L39-F190 HydrophobicContact CG-CE2 3.92Å; L39-F190 HydrophobicContact CG-CZ 4.11Å
40	L	98.3	Very high	96.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.5	-43.7	-179.6	-75	168.6	0	0	0	112.8	V28 K36 T37 F43 A44 Y60 M75 D77 F190	V28-L40 HydrophobicContact CB-CD1 4.01Å; V28-L40 HydrophobicContact CG2-CD1 3.75Å; V28-L40 HydrophobicContact CG2-CD2 3.83Å; V28-L40 HydrophobicContact CG2-CG 4Å; K36-L40 PolarHBondContact O-N 2.84Å; T37-L40 PolarHBondContact O-N 2.83Å; L40-F43 PolarHBondContact O-N 2.96Å; L40-A44 VanDerWaalsContact O-CB 3.28Å; L40-A44 WeakPolarHBondContact O-CB 3.31Å; L40-A44 PolarHBondContact O-N 3Å; L40-Y60 HydrophobicContact CB-CD2 4.34Å; L40-Y60 HydrophobicContact CB-CE2 4.44Å; L40-M75 HydrophobicContact CD2-CB 3.54Å; L40-M75 HydrophobicContact CD2-CG 4.13Å; L40-M75 HydrophobicContact CD2-SD 3.82Å; L40-D77 HydrophobicContact CD1-CB 3.4Å; L40-D77 VanDerWaalsContact CD1-CB 3.4Å; L40-F190 HydrophobicContact CD2-CE1 4.09Å; L40-F190 HydrophobicContact CD2-CZ 3.81Å
41	H	96.9	Very high	96.1	Very high	37 Å²	37	48.9 Å²	48.9	17%	0.171	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-43.4	-177.4	-164.7	-80.2	0	0	0	111.5	T37 F43 A44 K45 S47	T37-H41 WeakPolarHBondContact O-CB 3.47Å; T37-H41 PolarHBondContact O-N 2.87Å; H41-F43 VanDerWaalsContact C-N 3.34Å; H41-A44 PolarHBondContact O-N 2.85Å; H41-K45 WeakPolarHBondContact NE2-CD 3.14Å; H41-K45 PolarHBondContact NE2-NZ 2.74Å; H41-K45 WeakPolarHBondContact O-CA 3.03Å; H41-K45 WeakPolarHBondContact O-CB 3.33Å; H41-K45 PolarHBondContact O-N 3.06Å; H41-S47 PolarHBondContact ND1-O 2.97Å
42	V	97.8	Very high	95.6	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.03	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-44.5	174.9	170.7	0	0	0	0	110.4	A38 A44 D46 S47 Y48 S179 E183 V186	A38-V42 WeakPolarHBondContact O-CB 3.4Å; A38-V42 WeakPolarHBondContact O-CG2 3.44Å; A38-V42 PolarHBondContact O-N 2.9Å; V42-A44 PolarHBondContact O-N 2.71Å; V42-D46 VanDerWaalsContact O-CA 3.26Å; V42-D46 WeakPolarHBondContact O-CA 3.32Å; V42-D46 PolarHBondContact O-N 2.98Å; V42-S47 WeakPolarHBondContact CG2-O 3.07Å; V42-Y48 HydrophobicContact CG2-CD2 4.02Å; V42-S179 WeakPolarHBondContact CG2-O 3.19Å; V42-E183 HydrophobicContact CG1-CG 4.05Å; V42-V186 HydrophobicContact CB-CG1 4.47Å; V42-V186 HydrophobicContact CB-CG2 4.49Å; V42-V186 HydrophobicContact CG1-CB 4.29Å; V42-V186 HydrophobicContact CG1-CG1 4.2Å; V42-V186 HydrophobicContact CG1-CG2 4.07Å
43	F	97.4	Very high	95.2	Very high	15 Å²	15	56.9 Å²	56.9	7%	0.066	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-39.5	179.3	180	-106.5	0	0	0	113.7	L39 L40 H41 A62 F64 L73 M75 V186 F190	L39-F43 WeakPolarHBondContact O-CB 3.46Å; L39-F43 PolarHBondContact O-N 2.8Å; L40-F43 PolarHBondContact O-N 2.96Å; H41-F43 VanDerWaalsContact C-N 3.34Å; F43-A62 HydrophobicContact CD1-CB 4.22Å; F43-A62 HydrophobicContact CE1-CB 3.67Å; F43-A62 HydrophobicContact CZ-CB 4.45Å; F43-F64 AromaticContact CE2-CD2 3.68Å; F43-F64 HydrophobicContact CE2-CD2 3.68Å; F43-F64 AromaticContact CE2-CE2 3.8Å; F43-F64 HydrophobicContact CE2-CE2 3.8Å; F43-F64 HydrophobicContact CZ-CB 4.48Å; F43-F64 AromaticContact CZ-CD2 3.6Å; F43-F64 HydrophobicContact CZ-CD2 3.6Å; F43-F64 HydrophobicContact CZ-CE2 4.17Å; F43-F64 HydrophobicContact CZ-CG 4.28Å; F43-L73 HydrophobicContact CE1-CD1 3.65Å; F43-L73 HydrophobicContact CZ-CD1 3.61Å; F43-M75 HydrophobicContact CD1-CE 3.7Å; F43-M75 HydrophobicContact CD1-SD 3.47Å; F43-M75 WeakPolarHBondContact CD1-SD 3.46Å; F43-M75 HydrophobicContact CE1-CE 3.89Å; F43-M75 HydrophobicContact CE1-SD 3.58Å; F43-M75 VanDerWaalsContact CE1-SD 3.58Å; F43-V186 HydrophobicContact CB-CG1 3.62Å; F43-V186 HydrophobicContact CD2-CG1 4.34Å; F43-V186 HydrophobicContact CG-CG1 4.44Å; F43-F190 HydrophobicContact CB-CD2 3.72Å; F43-F190 HydrophobicContact CB-CE2 3.39Å; F43-F190 HydrophobicContact CB-CZ 4.05Å; F43-F190 AromaticContact CD1-CD1 3.99Å; F43-F190 HydrophobicContact CD1-CD1 3.99Å; F43-F190 AromaticContact CD1-CD2 3.78Å; F43-F190 HydrophobicContact CD1-CD2 3.78Å; F43-F190 HydrophobicContact CD1-CE1 4.08Å; F43-F190 AromaticContact CD1-CE2 3.88Å; F43-F190 HydrophobicContact CD1-CE2 3.88Å; F43-F190 AromaticContact CD1-CG 3.85Å; F43-F190 HydrophobicContact CD1-CG 3.85Å; F43-F190 HydrophobicContact CD1-CZ 4.04Å; F43-F190 HydrophobicContact CD2-CB 3.96Å; F43-F190 AromaticContact CD2-CD2 3.26Å; F43-F190 HydrophobicContact CD2-CD2 3.26Å; F43-F190 AromaticContact CD2-CE2 3.91Å; F43-F190 HydrophobicContact CD2-CE2 3.91Å; F43-F190 AromaticContact CD2-CG 3.7Å; F43-F190 HydrophobicContact CD2-CG 3.7Å; F43-F190 HydrophobicContact CE1-CB 4.21Å; F43-F190 AromaticContact CE1-CD1 3.94Å; F43-F190 HydrophobicContact CE1-CD1 3.94Å; F43-F190 HydrophobicContact CE1-CD2 4.22Å; F43-F190 HydrophobicContact CE1-CE1 4.41Å; F43-F190 AromaticContact CE1-CG 3.84Å; F43-F190 HydrophobicContact CE1-CG 3.84Å; F43-F190 HydrophobicContact CE2-CB 3.49Å; F43-F190 VanDerWaalsContact CE2-CB 3.49Å; F43-F190 AromaticContact CE2-CD2 3.75Å; F43-F190 HydrophobicContact CE2-CD2 3.75Å; F43-F190 AromaticContact CE2-CG 3.69Å; F43-F190 HydrophobicContact CE2-CG 3.69Å; F43-F190 HydrophobicContact CG-CB 4.49Å; F43-F190 HydrophobicContact CG-CD1 4.33Å; F43-F190 AromaticContact CG-CD2 3.27Å; F43-F190 HydrophobicContact CG-CD2 3.27Å; F43-F190 HydrophobicContact CG-CE1 4.46Å; F43-F190 AromaticContact CG-CE2 3.44Å; F43-F190 HydrophobicContact CG-CE2 3.44Å; F43-F190 VanDerWaalsContact CG-CE2 3.44Å; F43-F190 AromaticContact CG-CG 3.78Å; F43-F190 HydrophobicContact CG-CG 3.78Å; F43-F190 HydrophobicContact CG-CZ 4.05Å; F43-F190 HydrophobicContact CZ-CB 3.63Å; F43-F190 HydrophobicContact CZ-CD1 4.24Å; F43-F190 HydrophobicContact CZ-CD2 4.2Å; F43-F190 AromaticContact CZ-CG 3.76Å; F43-F190 HydrophobicContact CZ-CG 3.76Å
44	A	96	Very high	94.8	Very high	32 Å²	32	55.3 Å²	55.3	26%	0.264	29%	0.294	S	S	.	.	H	α-helix	trans	-88.1	-25	-173.7	0	0	0	0	0	113.8	L40 H41 V42 Y60 M75	L40-A44 VanDerWaalsContact O-CB 3.28Å; L40-A44 WeakPolarHBondContact O-CB 3.31Å; L40-A44 PolarHBondContact O-N 3Å; H41-A44 PolarHBondContact O-N 2.85Å; V42-A44 PolarHBondContact O-N 2.71Å; A44-Y60 HydrophobicContact CB-CD1 3.75Å; A44-Y60 HydrophobicContact CB-CG 4.39Å; A44-M75 HydrophobicContact CB-CE 4.17Å
45	K	94.5	Very high	94.4	Very high	108 Å²	108	56.2 Å²	56.2	47%	0.47	30%	0.3	S	S	.	.	H	α-helix	trans	-130.6	4	-170.1	-61.5	173.8	179.6	175.4	0	113.9	H41 S47	H41-K45 WeakPolarHBondContact NE2-CD 3.14Å; H41-K45 PolarHBondContact NE2-NZ 2.74Å; H41-K45 WeakPolarHBondContact O-CA 3.03Å; H41-K45 WeakPolarHBondContact O-CB 3.33Å; H41-K45 PolarHBondContact O-N 3.06Å; K45-S47 PolarHBondContact O-N 3.13Å; K45-S47 VanDerWaalsContact O-N 3.12Å
46	D	92.9	Very high	94	Very high	102 Å²	102	59 Å²	59	55%	0.545	31%	0.314	S	S	.	.	S	Bend	trans	49.7	39	-179	-60.1	-37.7	0	0	0	112.5	V42	V42-D46 VanDerWaalsContact O-CA 3.26Å; V42-D46 WeakPolarHBondContact O-CA 3.32Å; V42-D46 PolarHBondContact O-N 2.98Å
47	S	94.3	Very high	93.5	Very high	62 Å²	62	62 Å²	62	43%	0.434	33%	0.327	S	S	.	.			trans	-151.4	134.1	-175.8	-179.9	0	0	0	0	111.8	H41 V42 K45	H41-S47 PolarHBondContact ND1-O 2.97Å; V42-S47 WeakPolarHBondContact CG2-O 3.07Å; K45-S47 PolarHBondContact O-N 3.13Å; K45-S47 VanDerWaalsContact O-N 3.12Å
48	Y	94.4	Very high	93.3	Very high	81 Å²	81	64.1 Å²	64.1	32%	0.318	34%	0.335	S	S	.	.			trans	-83.4	134.2	175.9	-173	-91.4	0	0	0	111.1	A38 V42 E50 S179 K180	A38-Y48 HydrophobicContact CB-CD2 4.35Å; A38-Y48 HydrophobicContact CB-CE2 3.78Å; V42-Y48 HydrophobicContact CG2-CD2 4.02Å; Y48-E50 PolarHBondContact O-N 2.8Å; Y48-S179 WeakPolarHBondContact CD2-O 3.23Å; Y48-K180 HydrophobicContact CD2-CB 4.04Å; Y48-K180 HydrophobicContact CD2-CG 4.47Å; Y48-K180 HydrophobicContact CE1-CG 4.49Å; Y48-K180 HydrophobicContact CE2-CB 3.74Å; Y48-K180 HydrophobicContact CE2-CG 4.31Å
49	P	91.4	Very high	93.2	Very high	34 Å²	34	66.7 Å²	66.7	22%	0.221	35%	0.347	C	S	.	.			trans	-74.2	115.2	177.8	29	-33	0	0	0	111.5	A38 N51	A38-P49 HydrophobicContact CB-CG 4.04Å; P49-N51 VanDerWaalsContact C-N 3.35Å; P49-N51 PolarHBondContact O-N 2.65Å
50	E	89.5	Confident	93.1	Very high	161 Å²	161	67.3 Å²	67.3	75%	0.752	35%	0.349	S	S	*	.	S	Bend	trans	-68.7	-31.5	179.6	-67.1	-60.1	152.8	0	0	113.4	Y48	Y48-E50 PolarHBondContact O-N 2.8Å
51	N	89.6	Confident	92.9	Very high	137 Å²	137	71.4 Å²	71.4	73%	0.733	38%	0.375	S	S	*	.	S	Bend	trans	-113.1	133.9	-178.4	-65.1	-54.5	0	0	0	110.8	P49 V53	P49-N51 VanDerWaalsContact C-N 3.35Å; P49-N51 PolarHBondContact O-N 2.65Å; N51-V53 PolarHBondContact O-N 2.86Å
52	Y	87.3	Confident	92.8	Very high	130 Å²	130	70.4 Å²	70.4	51%	0.51	37%	0.373	S	S	.	.			trans	-77.8	118.8	172.4	176.9	-114.6	0	0	0	110.6	Q33 P54	Q33-Y52 HydrophobicContact CG-CD1 4.47Å; Q33-Y52 HydrophobicContact CG-CE1 3.75Å; Q33-Y52 HydrophobicContact CG-CE2 3.89Å; Q33-Y52 VanDerWaalsContact CG-CZ 3.43Å; Q33-Y52 WeakPolarHBondContact CG-OH 3.45Å; Y52-P54 HydrophobicContact CD1-CG 4.47Å; Y52-P54 HydrophobicContact CE1-CB 4.41Å; Y52-P54 HydrophobicContact CE1-CG 3.72Å
53	V	89.9	Confident	92.5	Very high	106 Å²	106	73.2 Å²	73.2	64%	0.642	39%	0.392	S	S	*	.			trans	-116.6	122.8	167.5	-178.8	0	0	0	0	107.5	N51 T55	N51-V53 PolarHBondContact O-N 2.86Å; V53-T55 PolarHBondContact O-N 3.45Å; V53-T55 VanDerWaalsContact O-N 3.15Å
54	P	89.8	Confident	92.1	Very high	85 Å²	85	73 Å²	73	55%	0.552	39%	0.392	S	S	*	.			trans	-59.7	117.4	176.6	-23.6	32.2	0	0	0	112.1	Y52	Y52-P54 HydrophobicContact CD1-CG 4.47Å; Y52-P54 HydrophobicContact CE1-CB 4.41Å; Y52-P54 HydrophobicContact CE1-CG 3.72Å
55	T	90.6	Very high	91.9	Very high	19 Å²	19	77.7 Å²	77.7	12%	0.117	41%	0.408	C	S	.	.			trans	-68.4	134.7	174.2	-52.6	0	0	0	0	110.8	T37 V53 E58 D77 S79	T37-T55 PolarHBondContact OG1-OG1 3.39Å; V53-T55 PolarHBondContact O-N 3.45Å; V53-T55 VanDerWaalsContact O-N 3.15Å; T55-E58 HydrophobicContact CG2-CB 4.49Å; T55-D77 HydrophobicContact CG2-CB 4.16Å; T55-D77 WeakPolarHBondContact CG2-OD2 3.27Å; T55-D77 PolarHBondContact OG1-OD2 2.87Å; T55-D77 VanDerWaalsContact OG1-OD2 3.04Å; T55-S79 WeakPolarHBondContact O-CA 3.31Å; T55-S79 WeakPolarHBondContact O-CB 3.36Å; T55-S79 PolarHBondContact O-OG 3.32Å
56	V	90.3	Very high	91.6	Very high	70 Å²	70	72.8 Å²	72.8	42%	0.424	39%	0.387	S	S	.	.	S	Bend	trans	-89.1	-61.7	160.6	179.2	0	0	0	0	108.1	S79 Y84	V56-S79 PolarHBondContact O-N 2.89Å; V56-S79 VanDerWaalsContact O-N 3.14Å; V56-Y84 HydrophobicContact CB-CE1 4.34Å; V56-Y84 HydrophobicContact CG1-CD1 3.95Å; V56-Y84 HydrophobicContact CG1-CE1 3.52Å; V56-Y84 HydrophobicContact CG2-CE1 4.16Å; V56-Y84 HydrophobicContact CG2-CE2 4.37Å; V56-Y84 WeakPolarHBondContact CG2-OH 3.48Å
57	F	87.3	Confident	91.3	Very high	72 Å²	72	75 Å²	75	32%	0.316	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	132.1	-175.5	-153	-89.3	0	0	0	109.7	W76 D77 T78 A91	F57-W76 HydrophobicContact CD1-CE3 4.28Å; F57-W76 HydrophobicContact CD1-CZ3 4.41Å; F57-W76 HydrophobicContact CE1-CD2 4.34Å; F57-W76 AromaticContact CE1-CE3 3.08Å; F57-W76 HydrophobicContact CE1-CE3 3.08Å; F57-W76 HydrophobicContact CE1-CH2 4.38Å; F57-W76 AromaticContact CE1-CZ3 3.13Å; F57-W76 HydrophobicContact CE1-CZ3 3.13Å; F57-W76 HydrophobicContact CE2-CE3 4.36Å; F57-W76 HydrophobicContact CZ-CD2 4.45Å; F57-W76 AromaticContact CZ-CE3 3.15Å; F57-W76 HydrophobicContact CZ-CE3 3.15Å; F57-W76 AromaticContact CZ-CZ3 3.32Å; F57-W76 HydrophobicContact CZ-CZ3 3.32Å; F57-D77 WeakPolarHBondContact CA-O 3.33Å; F57-T78 HydrophobicContact CE2-CG2 4.44Å; F57-A91 HydrophobicContact CE2-CB 3.69Å; F57-A91 HydrophobicContact CZ-CB 3.63Å
58	E	94.8	Very high	90.9	Very high	78 Å²	78	80.7 Å²	80.7	36%	0.364	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	147	179.1	-161.9	172.7	-174.9	0	0	110.7	T55 Y60 D77	T55-E58 HydrophobicContact CG2-CB 4.49Å; E58-Y60 HydrophobicContact CB-CD2 4.5Å; E58-Y60 HydrophobicContact CB-CE2 3.85Å; E58-Y60 VanDerWaalsContact CD-CZ 3.45Å; E58-Y60 HydrophobicContact CG-CD2 4.31Å; E58-Y60 HydrophobicContact CG-CE2 3.66Å; E58-Y60 PolarHBondContact OE1-OH 3.11Å; E58-Y60 WeakPolarHBondContact OE2-CE2 3.44Å; E58-Y60 PolarHBondContact OE2-OH 3.28Å; E58-D77 HydrophobicContact CB-CB 4.22Å; E58-D77 PolarHBondContact N-O 2.99Å; E58-D77 VanDerWaalsContact N-O 3.08Å; E58-D77 PolarHBondContact O-N 2.91Å
59	N	95.6	Very high	90.6	Very high	67 Å²	67	78.1 Å²	78.1	36%	0.358	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128	176.9	-168.6	-93.1	0	0	0	109.8	N74 M75 W76	N59-N74 PolarHBondContact ND2-OD1 2.85Å; N59-N74 PolarHBondContact OD1-ND2 3.36Å; N59-N74 VanDerWaalsContact OD1-ND2 3.12Å; N59-M75 WeakPolarHBondContact CA-O 3.24Å; N59-W76 PolarHBondContact ND2-NE1 3.04Å
60	Y	95.8	Very high	90.6	Very high	12 Å²	12	83.6 Å²	83.6	5%	0.047	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.5	176.1	-67	-99.5	0	0	0	109.1	L40 A44 E58 M75 D77	L40-Y60 HydrophobicContact CB-CD2 4.34Å; L40-Y60 HydrophobicContact CB-CE2 4.44Å; A44-Y60 HydrophobicContact CB-CD1 3.75Å; A44-Y60 HydrophobicContact CB-CG 4.39Å; E58-Y60 HydrophobicContact CB-CD2 4.5Å; E58-Y60 HydrophobicContact CB-CE2 3.85Å; E58-Y60 VanDerWaalsContact CD-CZ 3.45Å; E58-Y60 HydrophobicContact CG-CD2 4.31Å; E58-Y60 HydrophobicContact CG-CE2 3.66Å; E58-Y60 PolarHBondContact OE1-OH 3.11Å; E58-Y60 WeakPolarHBondContact OE2-CE2 3.44Å; E58-Y60 PolarHBondContact OE2-OH 3.28Å; Y60-M75 PolarHBondContact N-O 3.21Å; Y60-M75 PolarHBondContact O-N 2.92Å; Y60-D77 HydrophobicContact CD2-CB 4.42Å; Y60-D77 HydrophobicContact CE2-CB 4.05Å
61	T	95.6	Very high	90.8	Very high	87 Å²	87	76 Å²	76	53%	0.534	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.1	171.9	54.3	0	0	0	0	109.9	L73	T61-L73 WeakPolarHBondContact CA-O 3.48Å
62	A	94.9	Very high	91.1	Very high	16 Å²	16	72 Å²	72	13%	0.132	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157	174.6	0	0	0	0	0	110.3	F43 L73 M75	F43-A62 HydrophobicContact CD1-CB 4.22Å; F43-A62 HydrophobicContact CE1-CB 3.67Å; F43-A62 HydrophobicContact CZ-CB 4.45Å; A62-L73 PolarHBondContact N-O 2.78Å; A62-L73 PolarHBondContact O-N 3.03Å; A62-M75 HydrophobicContact CB-CE 3.69Å
63	S	91.6	Very high	91.6	Very high	63 Å²	63	65.8 Å²	65.8	44%	0.441	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.2	169.2	-70	0	0	0	0	109.3	R70 I71	S63-R70 PolarHBondContact OG-NE 2.74Å; S63-R70 VanDerWaalsContact OG-NE 3.07Å; S63-R70 PolarHBondContact OG-NH2 2.91Å; S63-I71 WeakPolarHBondContact CA-O 3.39Å
64	F	88.8	Confident	92	Very high	12 Å²	12	63 Å²	63	5%	0.053	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.2	178.6	-159.5	-106.8	0	0	0	109.4	F43 I66 I71 L73 H191	F43-F64 AromaticContact CE2-CD2 3.68Å; F43-F64 HydrophobicContact CE2-CD2 3.68Å; F43-F64 AromaticContact CE2-CE2 3.8Å; F43-F64 HydrophobicContact CE2-CE2 3.8Å; F43-F64 HydrophobicContact CZ-CB 4.48Å; F43-F64 AromaticContact CZ-CD2 3.6Å; F43-F64 HydrophobicContact CZ-CD2 3.6Å; F43-F64 HydrophobicContact CZ-CE2 4.17Å; F43-F64 HydrophobicContact CZ-CG 4.28Å; F64-I66 HydrophobicContact CD1-CD1 3.92Å; F64-I66 HydrophobicContact CD1-CG1 3.71Å; F64-I66 HydrophobicContact CE1-CD1 3.89Å; F64-I66 HydrophobicContact CE1-CG1 3.71Å; F64-I71 PolarHBondContact N-O 3.15Å; F64-I71 PolarHBondContact O-N 2.86Å; F64-L73 HydrophobicContact CB-CD1 3.75Å; F64-L73 HydrophobicContact CB-CG 4.07Å; F64-L73 HydrophobicContact CG-CD1 4.29Å; F64-H191 HydrophobicContact CE1-CB 3.87Å; F64-H191 AromaticContact CE1-ND1 3.57Å; F64-H191 HydrophobicContact CZ-CB 3.77Å; F64-H191 AromaticContact CZ-ND1 3.94Å
65	E	90	Very high	92.4	Very high	129 Å²	129	59 Å²	59	60%	0.603	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	127.2	-179.2	-168.7	177	131.3	0	0	110.2	K68 Q69	E65-K68 WeakPolarHBondContact OE1-CA 3.36Å; E65-Q69 WeakPolarHBondContact CA-O 3.35Å
66	I	88.7	Confident	92.7	Very high	6 Å²	6	60.8 Å²	60.8	3%	0.031	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	126.9	173.7	-59.4	-178.4	0	0	0	107	F64 K68 Q69 I71 T194 L195 F199	F64-I66 HydrophobicContact CD1-CD1 3.92Å; F64-I66 HydrophobicContact CD1-CG1 3.71Å; F64-I66 HydrophobicContact CE1-CD1 3.89Å; F64-I66 HydrophobicContact CE1-CG1 3.71Å; I66-K68 PolarHBondContact O-N 2.78Å; I66-K68 VanDerWaalsContact O-N 3.17Å; I66-Q69 PolarHBondContact N-O 2.98Å; I66-Q69 WeakPolarHBondContact O-CA 3.48Å; I66-Q69 VanDerWaalsContact O-CB 3.3Å; I66-Q69 WeakPolarHBondContact O-CB 3.45Å; I66-Q69 PolarHBondContact O-N 3.02Å; I66-I71 HydrophobicContact CB-CD1 4.04Å; I66-I71 HydrophobicContact CD1-CD1 4.41Å; I66-I71 HydrophobicContact CG1-CD1 4.13Å; I66-T194 HydrophobicContact CD1-CG2 3.66Å; I66-L195 HydrophobicContact CD1-CD2 4.04Å; I66-L195 HydrophobicContact CD1-CG 4.05Å; I66-L195 HydrophobicContact CG2-CD2 3.74Å; I66-F199 HydrophobicContact CB-CE2 4.26Å; I66-F199 HydrophobicContact CD1-CE2 4.3Å; I66-F199 HydrophobicContact CG2-CE2 4.23Å
67	D	86.6	Confident	93.1	Very high	148 Å²	148	57.5 Å²	57.5	79%	0.791	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	42.6	179.2	-60.4	-30.1	0	0	0	114	Q69	D67-Q69 PolarHBondContact O-N 3.11Å
68	K	85.9	Confident	93.6	Very high	182 Å²	182	54.1 Å²	54.1	79%	0.791	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	14.2	-176.9	-50.7	176.3	-179.2	178	0	114.6	E65 I66	E65-K68 WeakPolarHBondContact OE1-CA 3.36Å; I66-K68 PolarHBondContact O-N 2.78Å; I66-K68 VanDerWaalsContact O-N 3.17Å
69	Q	87.9	Confident	93.8	Very high	26 Å²	26	50.8 Å²	50.8	12%	0.121	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.2	170.6	-173.6	63.1	38	0	0	108.5	K19 L22 E65 I66 D67 I71	K19-Q69 VanDerWaalsContact CD-OE1 3.26Å; L22-Q69 HydrophobicContact CD1-CG 3.56Å; L22-Q69 HydrophobicContact CG-CG 4.29Å; E65-Q69 WeakPolarHBondContact CA-O 3.35Å; I66-Q69 PolarHBondContact N-O 2.98Å; I66-Q69 WeakPolarHBondContact O-CA 3.48Å; I66-Q69 VanDerWaalsContact O-CB 3.3Å; I66-Q69 WeakPolarHBondContact O-CB 3.45Å; I66-Q69 PolarHBondContact O-N 3.02Å; D67-Q69 PolarHBondContact O-N 3.11Å; Q69-I71 WeakPolarHBondContact O-CD1 3.41Å
70	R	91.5	Very high	93.9	Very high	150 Å²	150	48.1 Å²	48.1	57%	0.566	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.9	172.1	-172.4	175.4	177.5	174.6	1.2	109.4	S63	S63-R70 PolarHBondContact OG-NE 2.74Å; S63-R70 VanDerWaalsContact OG-NE 3.07Å; S63-R70 PolarHBondContact OG-NH2 2.91Å
71	I	94.6	Very high	93.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.1	175	-54.5	101.5	0	0	0	108.2	L22 C24 S63 F64 I66 Q69 L73 T194 V198 F199	L22-I71 HydrophobicContact CB-CB 4.43Å; L22-I71 HydrophobicContact CB-CG1 3.95Å; L22-I71 HydrophobicContact CB-CG2 4.2Å; L22-I71 HydrophobicContact CD1-CG1 4.29Å; L22-I71 CarbonylContact O-C 3.5Å; L22-I71 WeakPolarHBondContact O-CA 3.32Å; C24-I71 HydrophobicContact CB-CG2 4.06Å; S63-I71 WeakPolarHBondContact CA-O 3.39Å; F64-I71 PolarHBondContact N-O 3.15Å; F64-I71 PolarHBondContact O-N 2.86Å; I66-I71 HydrophobicContact CB-CD1 4.04Å; I66-I71 HydrophobicContact CD1-CD1 4.41Å; I66-I71 HydrophobicContact CG1-CD1 4.13Å; Q69-I71 WeakPolarHBondContact O-CD1 3.41Å; I71-L73 HydrophobicContact CG2-CD2 3.88Å; I71-T194 HydrophobicContact CB-CG2 4.36Å; I71-T194 HydrophobicContact CD1-CG2 4.23Å; I71-T194 HydrophobicContact CG1-CG2 4.35Å; I71-T194 HydrophobicContact CG2-CG2 4.15Å; I71-V198 HydrophobicContact CG2-CG2 4.33Å; I71-F199 HydrophobicContact CD1-CE2 4.17Å; I71-F199 HydrophobicContact CD1-CZ 4.32Å
72	E	96.1	Very high	93.9	Very high	54 Å²	54	48.6 Å²	48.6	25%	0.252	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	118.4	171.3	-175.9	-177.9	-169	0	0	109	L21 L22 R23 C24	L21-E72 HydrophobicContact CD2-CB 4.29Å; L21-E72 VanDerWaalsContact CD2-OE2 3.32Å; L21-E72 WeakPolarHBondContact CD2-OE2 3.23Å; L21-E72 HydrophobicContact CG-CB 4.41Å; L22-E72 PolarHBondContact O-N 3.22Å; R23-E72 CarbonylContact C-O 3.5Å; R23-E72 WeakPolarHBondContact CA-O 3.38Å; R23-E72 HydrophobicContact CG-CB 4.26Å; R23-E72 IonicContact CZ-OE2 2.71Å; R23-E72 IonicContact NE-OE2 2.96Å; R23-E72 PolarHBondContact NE-OE2 3.14Å; R23-E72 IonicContact NH2-OE2 2.74Å; R23-E72 PolarHBondContact NH2-OE2 3.34Å; C24-E72 PolarHBondContact N-O 2.69Å
73	L	97.3	Very high	94	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.8	177	-55.7	-173.9	0	0	0	109.1	C24 I26 F43 T61 A62 F64 I71 M75 F190 T194	C24-L73 HydrophobicContact CB-CD2 3.65Å; C24-L73 WeakPolarHBondContact O-CA 3.02Å; I26-L73 HydrophobicContact CD1-CD1 4.43Å; I26-L73 HydrophobicContact CD1-CD2 4.32Å; F43-L73 HydrophobicContact CE1-CD1 3.65Å; F43-L73 HydrophobicContact CZ-CD1 3.61Å; T61-L73 WeakPolarHBondContact CA-O 3.48Å; A62-L73 PolarHBondContact N-O 2.78Å; A62-L73 PolarHBondContact O-N 3.03Å; F64-L73 HydrophobicContact CB-CD1 3.75Å; F64-L73 HydrophobicContact CB-CG 4.07Å; F64-L73 HydrophobicContact CG-CD1 4.29Å; I71-L73 HydrophobicContact CG2-CD2 3.88Å; L73-M75 HydrophobicContact CB-CG 4.16Å; L73-M75 HydrophobicContact CB-SD 4.34Å; L73-F190 HydrophobicContact CD1-CD1 4.44Å; L73-T194 HydrophobicContact CD2-CG2 4.16Å
74	N	97.8	Very high	94.3	Very high	47 Å²	47	57 Å²	57	25%	0.251	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	105.5	171.8	-170.4	-82.7	0	0	0	108.5	C24 K25 I26 N59 W76	C24-N74 PolarHBondContact O-N 2.99Å; K25-N74 CarbonylContact C-O 3.48Å; K25-N74 WeakPolarHBondContact CA-O 3.26Å; I26-N74 PolarHBondContact N-O 2.85Å; N59-N74 PolarHBondContact ND2-OD1 2.85Å; N59-N74 PolarHBondContact OD1-ND2 3.36Å; N59-N74 VanDerWaalsContact OD1-ND2 3.12Å; N74-W76 PolarHBondContact OD1-NE1 3.28Å
75	M	98.3	Very high	94.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.2	-167.3	-56.3	168.4	-68	0	0	110.7	I26 L40 F43 A44 N59 Y60 A62 L73 F190	I26-M75 HydrophobicContact CB-CG 4.31Å; I26-M75 HydrophobicContact CD1-CG 4.5Å; I26-M75 CarbonylContact O-C 3.4Å; I26-M75 VanDerWaalsContact O-CA 3.27Å; I26-M75 WeakPolarHBondContact O-CA 3.47Å; L40-M75 HydrophobicContact CD2-CB 3.54Å; L40-M75 HydrophobicContact CD2-CG 4.13Å; L40-M75 HydrophobicContact CD2-SD 3.82Å; F43-M75 HydrophobicContact CD1-CE 3.7Å; F43-M75 HydrophobicContact CD1-SD 3.47Å; F43-M75 WeakPolarHBondContact CD1-SD 3.46Å; F43-M75 HydrophobicContact CE1-CE 3.89Å; F43-M75 HydrophobicContact CE1-SD 3.58Å; F43-M75 VanDerWaalsContact CE1-SD 3.58Å; A44-M75 HydrophobicContact CB-CE 4.17Å; N59-M75 WeakPolarHBondContact CA-O 3.24Å; Y60-M75 PolarHBondContact N-O 3.21Å; Y60-M75 PolarHBondContact O-N 2.92Å; A62-M75 HydrophobicContact CB-CE 3.69Å; L73-M75 HydrophobicContact CB-CG 4.16Å; L73-M75 HydrophobicContact CB-SD 4.34Å; M75-F190 HydrophobicContact CG-CE1 4.26Å; M75-F190 HydrophobicContact SD-CD1 3.86Å; M75-F190 HydrophobicContact SD-CE1 3.37Å; M75-F190 WeakPolarHBondContact SD-CE1 3.44Å; M75-F190 HydrophobicContact SD-CZ 4.03Å
76	W	98.3	Very high	95	Very high	58 Å²	58	60.2 Å²	60.2	22%	0.22	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	109.7	-176.6	-64.1	65.7	0	0	0	109.3	I26 V27 V28 F57 N59 N74 A91	I26-W76 PolarHBondContact O-N 3.46Å; V27-W76 HydrophobicContact CB-CB 4.5Å; V27-W76 HydrophobicContact CG2-CB 4.05Å; V27-W76 HydrophobicContact CG2-CG 4.25Å; V28-W76 PolarHBondContact N-O 3.27Å; F57-W76 HydrophobicContact CD1-CE3 4.28Å; F57-W76 HydrophobicContact CD1-CZ3 4.41Å; F57-W76 HydrophobicContact CE1-CD2 4.34Å; F57-W76 AromaticContact CE1-CE3 3.08Å; F57-W76 HydrophobicContact CE1-CE3 3.08Å; F57-W76 HydrophobicContact CE1-CH2 4.38Å; F57-W76 AromaticContact CE1-CZ3 3.13Å; F57-W76 HydrophobicContact CE1-CZ3 3.13Å; F57-W76 HydrophobicContact CE2-CE3 4.36Å; F57-W76 HydrophobicContact CZ-CD2 4.45Å; F57-W76 AromaticContact CZ-CE3 3.15Å; F57-W76 HydrophobicContact CZ-CE3 3.15Å; F57-W76 AromaticContact CZ-CZ3 3.32Å; F57-W76 HydrophobicContact CZ-CZ3 3.32Å; N59-W76 PolarHBondContact ND2-NE1 3.04Å; N74-W76 PolarHBondContact OD1-NE1 3.28Å; W76-A91 HydrophobicContact CB-CB 4.31Å; W76-A91 HydrophobicContact CD2-CB 4.42Å; W76-A91 HydrophobicContact CE3-CB 3.9Å
77	D	98.3	Very high	95.3	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134.2	168.4	-163.8	13.4	0	0	0	109.3	T37 L40 T55 F57 E58 Y60	T37-D77 WeakPolarHBondContact CA-OD2 3.42Å; T37-D77 VanDerWaalsContact CB-OD2 3.26Å; T37-D77 WeakPolarHBondContact CB-OD2 3.1Å; T37-D77 WeakPolarHBondContact CG2-OD2 3.28Å; T37-D77 PolarHBondContact OG1-OD2 3.47Å; L40-D77 HydrophobicContact CD1-CB 3.4Å; L40-D77 VanDerWaalsContact CD1-CB 3.4Å; T55-D77 HydrophobicContact CG2-CB 4.16Å; T55-D77 WeakPolarHBondContact CG2-OD2 3.27Å; T55-D77 PolarHBondContact OG1-OD2 2.87Å; T55-D77 VanDerWaalsContact OG1-OD2 3.04Å; F57-D77 WeakPolarHBondContact CA-O 3.33Å; E58-D77 HydrophobicContact CB-CB 4.22Å; E58-D77 PolarHBondContact N-O 2.99Å; E58-D77 VanDerWaalsContact N-O 3.08Å; E58-D77 PolarHBondContact O-N 2.91Å; Y60-D77 HydrophobicContact CD2-CB 4.42Å; Y60-D77 HydrophobicContact CE2-CB 4.05Å
78	T	98.3	Very high	95.8	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.6	-176.6	70.8	0	0	0	0	111.8	V27 V28 V29 K36 F57 R88 A91	V27-T78 HydrophobicContact CG1-CG2 4.07Å; V28-T78 PolarHBondContact O-OG1 3.2Å; V29-T78 HydrophobicContact CG1-CG2 4.49Å; K36-T78 WeakPolarHBondContact CE-O 3.35Å; F57-T78 HydrophobicContact CE2-CG2 4.44Å; T78-R88 HydrophobicContact CG2-CG 4.02Å; T78-A91 HydrophobicContact CG2-CB 4.03Å
79	S	97.6	Very high	96.4	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.063	24%	0.243	C	C	.	.			trans	-66.1	136.4	172.4	-159.6	0	0	0	0	112	T55 V56 S81 Y84 R88	T55-S79 WeakPolarHBondContact O-CA 3.31Å; T55-S79 WeakPolarHBondContact O-CB 3.36Å; T55-S79 PolarHBondContact O-OG 3.32Å; V56-S79 PolarHBondContact O-N 2.89Å; V56-S79 VanDerWaalsContact O-N 3.14Å; S79-S81 VanDerWaalsContact C-N 3.29Å; S79-S81 PolarHBondContact OG-N 3.01Å; S79-Y84 VanDerWaalsContact OG-CD2 3.23Å; S79-Y84 WeakPolarHBondContact OG-CD2 3.21Å; S79-R88 VanDerWaalsContact O-CZ 3.27Å; S79-R88 PolarHBondContact O-NE 2.99Å; S79-R88 PolarHBondContact O-NH2 3.16Å
80	G	97.3	Very high	96.8	Very high	10 Å²	10	53.1 Å²	53.1	10%	0.103	27%	0.268	C	S	.	.			trans	-83.3	-3.2	170	0	0	0	0	0	114.3	G30	G30-G80 WeakPolarHBondContact O-CA 3.32Å
81	S	96.9	Very high	97	Very high	40 Å²	40	46 Å²	46	28%	0.28	24%	0.241	S	C	.	.	S	Bend	trans	-78.7	139.3	-176.8	176.1	0	0	0	0	111.4	S32 S79 Y83 Y84 R88	S32-S81 PolarHBondContact OG-N 2.93Å; S32-S81 VanDerWaalsContact OG-N 3.16Å; S79-S81 VanDerWaalsContact C-N 3.29Å; S79-S81 PolarHBondContact OG-N 3.01Å; S81-Y83 PolarHBondContact O-N 2.89Å; S81-Y83 PolarHBondContact OG-N 3Å; S81-Y84 PolarHBondContact O-N 3.35Å; S81-Y84 VanDerWaalsContact O-N 3.1Å; S81-R88 PolarHBondContact O-NH2 3Å
82	A	96	Very high	97.2	Very high	69 Å²	69	46 Å²	46	57%	0.57	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-60.3	-23.7	174.8	0	0	0	0	0	113	Y84 D85	A82-Y84 PolarHBondContact O-N 3.01Å; A82-Y84 VanDerWaalsContact O-N 3.11Å; A82-D85 WeakPolarHBondContact CA-OD2 3.42Å; A82-D85 WeakPolarHBondContact O-CB 3.45Å; A82-D85 VanDerWaalsContact O-CG 3.3Å; A82-D85 PolarHBondContact O-N 2.91Å; A82-D85 VanDerWaalsContact O-N 3.1Å
83	Y	96.8	Very high	97.2	Very high	192 Å²	192	46.7 Å²	46.7	75%	0.753	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-58.4	-24.6	175.4	-170	-97.7	0	0	0	113.1	S81	S81-Y83 PolarHBondContact O-N 2.89Å; S81-Y83 PolarHBondContact OG-N 3Å
84	Y	97	Very high	97.1	Very high	64 Å²	64	53.9 Å²	53.9	25%	0.251	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-105.9	13.7	-179.3	-61.5	-74.7	0	0	0	113.4	V56 S79 S81 A82 N86 V87 R88	V56-Y84 HydrophobicContact CB-CE1 4.34Å; V56-Y84 HydrophobicContact CG1-CD1 3.95Å; V56-Y84 HydrophobicContact CG1-CE1 3.52Å; V56-Y84 HydrophobicContact CG2-CE1 4.16Å; V56-Y84 HydrophobicContact CG2-CE2 4.37Å; V56-Y84 WeakPolarHBondContact CG2-OH 3.48Å; S79-Y84 VanDerWaalsContact OG-CD2 3.23Å; S79-Y84 WeakPolarHBondContact OG-CD2 3.21Å; S81-Y84 PolarHBondContact O-N 3.35Å; S81-Y84 VanDerWaalsContact O-N 3.1Å; A82-Y84 PolarHBondContact O-N 3.01Å; A82-Y84 VanDerWaalsContact O-N 3.11Å; Y84-N86 PolarHBondContact O-N 3.1Å; Y84-V87 PolarHBondContact O-N 3.28Å; Y84-R88 WeakPolarHBondContact O-CB 3.25Å; Y84-R88 PolarHBondContact O-N 2.89Å
85	D	97.1	Very high	97.1	Very high	51 Å²	51	52.1 Å²	52.1	27%	0.273	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.7	-177.7	-75.7	-8.1	0	0	0	113.2	A82 R88 P89 K116	A82-D85 WeakPolarHBondContact CA-OD2 3.42Å; A82-D85 WeakPolarHBondContact O-CB 3.45Å; A82-D85 VanDerWaalsContact O-CG 3.3Å; A82-D85 PolarHBondContact O-N 2.91Å; A82-D85 VanDerWaalsContact O-N 3.1Å; D85-R88 IonicContact OD1-CZ 3.76Å; D85-R88 VanDerWaalsContact OD1-CZ 3.29Å; D85-R88 IonicContact OD1-NH1 2.97Å; D85-R88 PolarHBondContact OD1-NH1 3.14Å; D85-R88 IonicContact OD1-NH2 3.02Å; D85-R88 PolarHBondContact OD1-NH2 2.67Å; D85-P89 WeakPolarHBondContact O-CD 3.31Å; D85-P89 WeakPolarHBondContact O-CG 3.3Å; D85-K116 WeakPolarHBondContact OD1-CE 3.4Å; D85-K116 IonicContact OD1-NZ 3.67Å; D85-K116 PolarHBondContact OD1-NZ 2.92Å; D85-K116 IonicContact OD2-NZ 3.5Å; D85-K116 PolarHBondContact OD2-NZ 2.92Å
86	N	96.1	Very high	97.1	Very high	158 Å²	158	55.3 Å²	55.3	85%	0.845	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-14.2	176.5	-64.1	-29.8	0	0	0	113.7	Y84	Y84-N86 PolarHBondContact O-N 3.1Å
87	V	95.8	Very high	97.1	Very high	67 Å²	67	52.6 Å²	52.6	41%	0.406	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-36	-175.9	-177.1	0	0	0	0	111.2	Y84 L90	Y84-V87 PolarHBondContact O-N 3.28Å; V87-L90 HydrophobicContact CG1-CD1 4.21Å; V87-L90 VanDerWaalsContact O-CB 3.31Å; V87-L90 WeakPolarHBondContact O-CB 3.33Å; V87-L90 WeakPolarHBondContact O-CG 3.22Å; V87-L90 PolarHBondContact O-N 3.18Å
88	R	97.8	Very high	97.1	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.015	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-50.2	-37.9	176.3	-166.5	177.4	-37.1	105.5	6.7	113.2	T78 S79 S81 Y84 D85 L90 A91 W117 E120	T78-R88 HydrophobicContact CG2-CG 4.02Å; S79-R88 VanDerWaalsContact O-CZ 3.27Å; S79-R88 PolarHBondContact O-NE 2.99Å; S79-R88 PolarHBondContact O-NH2 3.16Å; S81-R88 PolarHBondContact O-NH2 3Å; Y84-R88 WeakPolarHBondContact O-CB 3.25Å; Y84-R88 PolarHBondContact O-N 2.89Å; D85-R88 IonicContact OD1-CZ 3.76Å; D85-R88 VanDerWaalsContact OD1-CZ 3.29Å; D85-R88 IonicContact OD1-NH1 2.97Å; D85-R88 PolarHBondContact OD1-NH1 3.14Å; D85-R88 IonicContact OD1-NH2 3.02Å; D85-R88 PolarHBondContact OD1-NH2 2.67Å; R88-L90 PolarHBondContact O-N 2.85Å; R88-A91 WeakPolarHBondContact O-CB 3.33Å; R88-A91 PolarHBondContact O-N 3.12Å; R88-W117 VanDerWaalsContact CZ-CZ3 3.43Å; R88-E120 VanDerWaalsContact CD-OE1 3.26Å; R88-E120 WeakPolarHBondContact CD-OE1 3.4Å; R88-E120 IonicContact CZ-OE1 3.29Å; R88-E120 IonicContact NE-OE1 2.86Å; R88-E120 VanDerWaalsContact NH1-CD 3.25Å; R88-E120 IonicContact NH1-OE1 2.8Å; R88-E120 PolarHBondContact NH1-OE1 3.08Å; R88-E120 IonicContact NH1-OE2 2.9Å; R88-E120 PolarHBondContact NH1-OE2 3.06Å
89	P	97.3	Very high	97.2	Very high	19 Å²	19	52.5 Å²	52.5	12%	0.123	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-56.2	-24.4	179	-31.8	39.2	0	0	0	115.6	D85 A91 Y92 P93 F124	D85-P89 WeakPolarHBondContact O-CD 3.31Å; D85-P89 WeakPolarHBondContact O-CG 3.3Å; P89-A91 PolarHBondContact O-N 2.75Å; P89-Y92 HydrophobicContact CB-CD2 4.46Å; P89-Y92 PolarHBondContact O-N 2.67Å; P89-P93 WeakPolarHBondContact O-CD 3.4Å; P89-F124 HydrophobicContact CB-CD1 3.76Å; P89-F124 HydrophobicContact CB-CD2 4Å; P89-F124 HydrophobicContact CB-CE1 3.65Å; P89-F124 HydrophobicContact CB-CE2 3.93Å; P89-F124 HydrophobicContact CB-CG 3.94Å; P89-F124 HydrophobicContact CB-CZ 3.75Å; P89-F124 HydrophobicContact CG-CD1 4.43Å; P89-F124 HydrophobicContact CG-CD2 3.98Å; P89-F124 HydrophobicContact CG-CE1 4.01Å; P89-F124 HydrophobicContact CG-CE2 3.54Å; P89-F124 HydrophobicContact CG-CG 4.43Å; P89-F124 HydrophobicContact CG-CZ 3.55Å
90	L	96.3	Very high	97.2	Very high	123 Å²	123	52.1 Å²	52.1	64%	0.644	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-65.2	-18	177.1	-56.7	177.9	0	0	0	113.2	V87 R88	V87-L90 HydrophobicContact CG1-CD1 4.21Å; V87-L90 VanDerWaalsContact O-CB 3.31Å; V87-L90 WeakPolarHBondContact O-CB 3.33Å; V87-L90 WeakPolarHBondContact O-CG 3.22Å; V87-L90 PolarHBondContact O-N 3.18Å; R88-L90 PolarHBondContact O-N 2.85Å
91	A	97.3	Very high	97.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-75.1	-30.5	174.6	0	0	0	0	0	113.2	K25 V27 F57 W76 T78 R88 P89	K25-A91 WeakPolarHBondContact CE-O 3.24Å; K25-A91 PolarHBondContact NZ-O 2.86Å; V27-A91 HydrophobicContact CG1-CB 3.96Å; V27-A91 HydrophobicContact CG2-CB 4.14Å; V27-A91 VanDerWaalsContact CG2-O 3.32Å; V27-A91 WeakPolarHBondContact CG2-O 3.44Å; F57-A91 HydrophobicContact CE2-CB 3.69Å; F57-A91 HydrophobicContact CZ-CB 3.63Å; W76-A91 HydrophobicContact CB-CB 4.31Å; W76-A91 HydrophobicContact CD2-CB 4.42Å; W76-A91 HydrophobicContact CE3-CB 3.9Å; T78-A91 HydrophobicContact CG2-CB 4.03Å; R88-A91 WeakPolarHBondContact O-CB 3.33Å; R88-A91 PolarHBondContact O-N 3.12Å; P89-A91 PolarHBondContact O-N 2.75Å
92	Y	97.8	Very high	97.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.			trans	-73.9	-31.1	-165.4	-70	-57.7	0	0	0	118.1	V27 V29 P89 D94 S95 V98 E120 F124 C125	V27-Y92 HydrophobicContact CB-CD1 4.28Å; V27-Y92 HydrophobicContact CB-CE1 4.45Å; V27-Y92 HydrophobicContact CG1-CD1 3.93Å; V27-Y92 HydrophobicContact CG1-CE1 3.8Å; V27-Y92 HydrophobicContact CG2-CD1 4.43Å; V29-Y92 HydrophobicContact CG1-CE1 3.94Å; V29-Y92 WeakPolarHBondContact CG1-OH 3.4Å; P89-Y92 HydrophobicContact CB-CD2 4.46Å; P89-Y92 PolarHBondContact O-N 2.67Å; Y92-D94 PolarHBondContact O-N 3.25Å; Y92-S95 WeakPolarHBondContact O-CB 3.18Å; Y92-S95 PolarHBondContact O-N 2.69Å; Y92-S95 VanDerWaalsContact O-N 3.14Å; Y92-S95 PolarHBondContact O-OG 2.91Å; Y92-V98 HydrophobicContact CD1-CG2 4.39Å; Y92-V98 HydrophobicContact CE1-CG1 4.45Å; Y92-V98 HydrophobicContact CE1-CG2 4.36Å; Y92-E120 HydrophobicContact CE2-CG 4.01Å; Y92-E120 PolarHBondContact OH-OE1 2.82Å; Y92-E120 VanDerWaalsContact OH-OE1 3.13Å; Y92-F124 HydrophobicContact CD2-CB 3.36Å; Y92-F124 AromaticContact CD2-CD2 3.97Å; Y92-F124 HydrophobicContact CD2-CD2 3.97Å; Y92-F124 AromaticContact CD2-CG 3.88Å; Y92-F124 HydrophobicContact CD2-CG 3.88Å; Y92-F124 HydrophobicContact CE2-CB 4.14Å; Y92-F124 HydrophobicContact CE2-CD2 4.02Å; Y92-F124 HydrophobicContact CE2-CG 4.4Å; Y92-F124 HydrophobicContact CG-CB 3.81Å; Y92-C125 HydrophobicContact CD1-CB 4.45Å; Y92-C125 WeakPolarHBondContact CD1-SG 3.39Å
93	P	97.1	Very high	97.5	Very high	68 Å²	68	46.5 Å²	46.5	44%	0.442	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	135	-175.6	-30.6	36.2	0	0	0	112.5	K25 P89 S95	K25-P93 WeakPolarHBondContact CE-O 3.41Å; K25-P93 PolarHBondContact NZ-O 2.93Å; P89-P93 WeakPolarHBondContact O-CD 3.4Å; P93-S95 PolarHBondContact O-N 2.83Å; P93-S95 VanDerWaalsContact O-N 3.16Å
94	D	95.1	Very high	97.6	Very high	151 Å²	151	37.4 Å²	37.4	81%	0.807	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	25.3	178.2	-47.7	-47	0	0	0	115.4	Y92	Y92-D94 PolarHBondContact O-N 3.25Å
95	S	97.8	Very high	97.7	Very high	11 Å²	11	35.2 Å²	35.2	8%	0.077	20%	0.197	C	C	.	.			trans	-72.2	129	174.9	-56.4	0	0	0	0	111.4	V27 Y92 P93 A128	V27-S95 WeakPolarHBondContact CG2-OG 3.2Å; Y92-S95 WeakPolarHBondContact O-CB 3.18Å; Y92-S95 PolarHBondContact O-N 2.69Å; Y92-S95 VanDerWaalsContact O-N 3.14Å; Y92-S95 PolarHBondContact O-OG 2.91Å; P93-S95 PolarHBondContact O-N 2.83Å; P93-S95 VanDerWaalsContact O-N 3.16Å; S95-A128 VanDerWaalsContact O-CB 3.28Å; S95-A128 WeakPolarHBondContact O-CB 3.4Å
96	D	97.7	Very high	97.8	Very high	67 Å²	67	35.7 Å²	35.7	36%	0.358	19%	0.194	S	C	.	.	S	Bend	trans	-75.5	-36.4	172.5	-59.8	-66.2	0	0	0	110.8	C24 K25 A128 K129	C24-D96 VanDerWaalsContact CA-OD2 3.31Å; C24-D96 WeakPolarHBondContact CA-OD2 3.47Å; K25-D96 PolarHBondContact N-OD2 2.87Å; K25-D96 PolarHBondContact O-N 2.8Å; D96-A128 WeakPolarHBondContact O-CA 3.36Å; D96-K129 PolarHBondContact O-N 2.67Å
97	A	98.2	Very high	97.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.8	-179.9	0	0	0	0	0	113.3	K25 I26 V27 K129 T193 S197	K25-A97 PolarHBondContact O-N 2.91Å; K25-A97 VanDerWaalsContact O-N 3.11Å; I26-A97 WeakPolarHBondContact CA-O 3.41Å; I26-A97 HydrophobicContact CG1-CB 4.19Å; V27-A97 PolarHBondContact N-O 3.05Å; A97-K129 CarbonylContact C-O 3.56Å; A97-K129 VanDerWaalsContact CA-O 3.24Å; A97-K129 WeakPolarHBondContact CA-O 3.49Å; A97-T193 HydrophobicContact CB-CG2 3.53Å; A97-S197 WeakPolarHBondContact CB-OG 3.26Å
98	V	98.7	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.3	167.5	-178.6	0	0	0	0	109.1	V27 V29 Y92 I100 R121 A128 K129 V130 V131	V27-V98 CarbonylContact O-C 3.57Å; V27-V98 VanDerWaalsContact O-CA 3.31Å; V27-V98 WeakPolarHBondContact O-CA 3.3Å; V29-V98 HydrophobicContact CG2-CG1 3.86Å; Y92-V98 HydrophobicContact CD1-CG2 4.39Å; Y92-V98 HydrophobicContact CE1-CG1 4.45Å; Y92-V98 HydrophobicContact CE1-CG2 4.36Å; V98-I100 HydrophobicContact CG1-CG1 4.01Å; V98-R121 HydrophobicContact CB-CG 4.17Å; V98-R121 HydrophobicContact CG1-CG 4.16Å; V98-R121 HydrophobicContact CG2-CG 3.99Å; V98-A128 HydrophobicContact CG2-CB 3.98Å; V98-K129 PolarHBondContact N-O 3.21Å; V98-V130 WeakPolarHBondContact O-CA 3.44Å; V98-V131 PolarHBondContact O-N 3.35Å
99	L	98.9	Very high	98.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.5	165.3	-58.1	-171.9	0	0	0	108.2	I26 V27 V28 V29 L39 V131 V133 V189 F190 T193	I26-L99 HydrophobicContact CG2-CD1 4.13Å; I26-L99 HydrophobicContact CG2-CG 3.78Å; V27-L99 PolarHBondContact O-N 3.43Å; V28-L99 HydrophobicContact CB-CB 4.44Å; V28-L99 HydrophobicContact CG1-CB 4.13Å; V28-L99 HydrophobicContact CG2-CB 4.18Å; V28-L99 HydrophobicContact CG2-CD1 3.96Å; V28-L99 HydrophobicContact CG2-CG 4.29Å; V29-L99 PolarHBondContact N-O 3.16Å; L39-L99 HydrophobicContact CD2-CD1 4.22Å; L99-V131 WeakPolarHBondContact CA-O 3.46Å; L99-V131 HydrophobicContact CD2-CB 3.77Å; L99-V131 HydrophobicContact CD2-CG1 4.29Å; L99-V131 HydrophobicContact CD2-CG2 4.46Å; L99-V133 HydrophobicContact CB-CG2 4.27Å; L99-V133 HydrophobicContact CD2-CG2 4.11Å; L99-V189 HydrophobicContact CD1-CG1 4.01Å; L99-V189 HydrophobicContact CD2-CG1 4.37Å; L99-F190 HydrophobicContact CD1-CE1 4.12Å; L99-F190 HydrophobicContact CD1-CZ 4.31Å; L99-T193 HydrophobicContact CD2-CG2 3.72Å; L99-T193 VanDerWaalsContact CD2-OG1 3.25Å; L99-T193 WeakPolarHBondContact CD2-OG1 3.37Å
100	I	98.9	Very high	98.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.3	169.2	-54.6	179.8	0	0	0	107.4	V29 V98 V113 W117 V130 V131 L132 V133	V29-I100 HydrophobicContact CG2-CG1 3.99Å; V98-I100 HydrophobicContact CG1-CG1 4.01Å; I100-V113 HydrophobicContact CG2-CB 4.4Å; I100-V113 HydrophobicContact CG2-CG1 3.99Å; I100-V113 HydrophobicContact CG2-CG2 3.92Å; I100-W117 HydrophobicContact CD1-CB 4.41Å; I100-W117 HydrophobicContact CG2-CB 3.67Å; I100-W117 HydrophobicContact CG2-CG 4.2Å; I100-V130 HydrophobicContact CD1-CG1 3.75Å; I100-V130 HydrophobicContact CG1-CG1 4.11Å; I100-V131 PolarHBondContact N-O 3.1Å; I100-L132 HydrophobicContact CB-CD1 4.36Å; I100-L132 HydrophobicContact CG2-CD1 4.38Å; I100-V133 PolarHBondContact O-N 3.45Å
101	C	98.9	Very high	98.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	137.7	-175.7	-62.8	0	0	0	0	111.7	V29 G30 C34 K36 V133	V29-C101 PolarHBondContact O-N 3.44Å; G30-C101 VanDerWaalsContact CA-O 3.28Å; G30-C101 WeakPolarHBondContact CA-O 3.34Å; C34-C101 PolarHBondContact SG-O 2.98Å; K36-C101 HydrophobicContact CG-CB 3.93Å; C101-V133 WeakPolarHBondContact CA-O 3.48Å
102	F	98.9	Very high	98.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	164.7	167.7	72.7	-88.9	0	0	0	110.2	I104 L110 V113 L132 V133 C135 V157 Y174	F102-I104 HydrophobicContact CE2-CG1 3.89Å; F102-I104 HydrophobicContact CZ-CG1 4.44Å; F102-L110 HydrophobicContact CD1-CD1 3.65Å; F102-L110 HydrophobicContact CD2-CB 4.08Å; F102-L110 HydrophobicContact CD2-CD1 3.84Å; F102-L110 HydrophobicContact CE1-CD1 3.52Å; F102-L110 HydrophobicContact CE2-CD1 3.76Å; F102-L110 HydrophobicContact CG-CB 4.34Å; F102-L110 HydrophobicContact CG-CD1 3.79Å; F102-L110 HydrophobicContact CZ-CD1 3.58Å; F102-V113 HydrophobicContact CB-CG2 4.27Å; F102-L132 HydrophobicContact CD1-CD1 3.92Å; F102-L132 HydrophobicContact CD1-CG 4.21Å; F102-L132 HydrophobicContact CE1-CD1 4.16Å; F102-L132 HydrophobicContact CE1-CD2 4.11Å; F102-L132 HydrophobicContact CE1-CG 3.94Å; F102-V133 WeakPolarHBondContact CD1-O 2.91Å; F102-V133 PolarHBondContact N-O 3.14Å; F102-C135 WeakPolarHBondContact O-CB 3.14Å; F102-C135 PolarHBondContact O-N 3.16Å; F102-V157 HydrophobicContact CD2-CG2 4.39Å; F102-V157 HydrophobicContact CE2-CB 3.88Å; F102-V157 HydrophobicContact CE2-CG1 3.63Å; F102-V157 HydrophobicContact CE2-CG2 4.02Å; F102-V157 HydrophobicContact CZ-CG1 3.97Å; F102-Y174 AromaticContact CE1-CE2 3.78Å; F102-Y174 HydrophobicContact CE1-CE2 3.78Å; F102-Y174 AromaticContact CZ-CE2 3.94Å; F102-Y174 HydrophobicContact CZ-CE2 3.94Å; F102-Y174 WeakPolarHBondContact CZ-OH 3.41Å
103	D	98.9	Very high	98.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.3	-179.1	-173.5	-22.2	0	0	0	109.8	C34 S105 R106 T109 K136	C34-D103 HydrophobicContact CB-CB 4.01Å; D103-S105 VanDerWaalsContact CG-OG 3.26Å; D103-S105 PolarHBondContact O-N 3.15Å; D103-S105 VanDerWaalsContact O-N 3.15Å; D103-S105 WeakPolarHBondContact OD1-CB 3.26Å; D103-S105 PolarHBondContact OD1-N 2.86Å; D103-S105 PolarHBondContact OD1-OG 2.81Å; D103-S105 PolarHBondContact OD2-OG 3.07Å; D103-R106 HydrophobicContact CB-CB 4.08Å; D103-R106 CarbonylContact O-C 3.48Å; D103-R106 PolarHBondContact O-N 3.42Å; D103-R106 IonicContact OD2-CZ 3.72Å; D103-R106 IonicContact OD2-NE 3.45Å; D103-R106 PolarHBondContact OD2-NE 3.01Å; D103-R106 IonicContact OD2-NH2 3.88Å; D103-R106 PolarHBondContact OD2-NH2 2.69Å; D103-T109 HydrophobicContact CB-CG2 4.29Å; D103-T109 PolarHBondContact N-OG1 3.13Å; D103-T109 PolarHBondContact O-OG1 2.79Å; D103-K136 WeakPolarHBondContact OD2-CE 3.35Å; D103-K136 IonicContact OD2-NZ 3.99Å; D103-K136 PolarHBondContact OD2-NZ 3.46Å
104	I	98.9	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.2	-178	-73.9	165.2	0	0	0	112	F102 R106 G134 C135 L137 R140 P156 V157 E176	F102-I104 HydrophobicContact CE2-CG1 3.89Å; F102-I104 HydrophobicContact CZ-CG1 4.44Å; I104-R106 VanDerWaalsContact C-N 3.28Å; I104-R106 PolarHBondContact O-N 2.85Å; I104-G134 WeakPolarHBondContact CD1-O 3.35Å; I104-C135 WeakPolarHBondContact CB-O 3.12Å; I104-C135 WeakPolarHBondContact CG1-O 3.4Å; I104-C135 PolarHBondContact N-O 2.99Å; I104-L137 HydrophobicContact CD1-CB 4.08Å; I104-L137 HydrophobicContact CD1-CD1 4.08Å; I104-R140 HydrophobicContact CG2-CB 3.97Å; I104-P156 HydrophobicContact CG2-CB 4.35Å; I104-P156 WeakPolarHBondContact O-CA 3.3Å; I104-V157 PolarHBondContact O-N 3.18Å; I104-E176 HydrophobicContact CD1-CB 4.3Å; I104-E176 HydrophobicContact CD1-CG 4.14Å
105	S	98.8	Very high	98.6	Very high	18 Å²	18	29.8 Å²	29.8	13%	0.126	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-10.2	177.5	71.4	0	0	0	0	114.3	D103	D103-S105 VanDerWaalsContact CG-OG 3.26Å; D103-S105 PolarHBondContact O-N 3.15Å; D103-S105 VanDerWaalsContact O-N 3.15Å; D103-S105 WeakPolarHBondContact OD1-CB 3.26Å; D103-S105 PolarHBondContact OD1-N 2.86Å; D103-S105 PolarHBondContact OD1-OG 2.81Å; D103-S105 PolarHBondContact OD2-OG 3.07Å
106	R	98.8	Very high	98.6	Very high	61 Å²	61	31.8 Å²	31.8	23%	0.23	16%	0.159	C	C	.	.			trans	-130.8	86.5	-173	-69.4	-168.7	-60.6	131.9	-6.1	111.2	S32 Q33 D103 I104 E108 T109	S32-R106 PolarHBondContact O-NH2 2.98Å; Q33-R106 PolarHBondContact O-NH2 2.8Å; D103-R106 HydrophobicContact CB-CB 4.08Å; D103-R106 CarbonylContact O-C 3.48Å; D103-R106 PolarHBondContact O-N 3.42Å; D103-R106 IonicContact OD2-CZ 3.72Å; D103-R106 IonicContact OD2-NE 3.45Å; D103-R106 PolarHBondContact OD2-NE 3.01Å; D103-R106 IonicContact OD2-NH2 3.88Å; D103-R106 PolarHBondContact OD2-NH2 2.69Å; I104-R106 VanDerWaalsContact C-N 3.28Å; I104-R106 PolarHBondContact O-N 2.85Å; R106-E108 WeakPolarHBondContact CA-OE2 3.4Å; R106-E108 WeakPolarHBondContact CB-OE1 3.28Å; R106-E108 IonicContact NH1-OE1 2.76Å; R106-E108 PolarHBondContact O-N 2.88Å; R106-E108 VanDerWaalsContact O-N 3.09Å; R106-T109 HydrophobicContact CB-CG2 3.84Å; R106-T109 WeakPolarHBondContact O-CB 3.45Å; R106-T109 PolarHBondContact O-N 3.33Å; R106-T109 PolarHBondContact O-OG1 3.1Å
107	P	98.6	Very high	98.7	Very high	24 Å²	24	28.6 Å²	28.6	16%	0.156	14%	0.142	C	C	.	.	H	α-helix	trans	-53	-30.7	-176.7	-28.4	36.8	0	0	0	114.6	T109 L110 D111 L149 I155 V157	P107-T109 PolarHBondContact O-N 3.39Å; P107-L110 VanDerWaalsContact O-CB 3.29Å; P107-L110 WeakPolarHBondContact O-CB 3.42Å; P107-L110 PolarHBondContact O-N 2.99Å; P107-D111 PolarHBondContact O-N 3Å; P107-L149 HydrophobicContact CG-CD2 4.38Å; P107-I155 VanDerWaalsContact CG-O 3.28Å; P107-I155 WeakPolarHBondContact CG-O 3.44Å; P107-V157 HydrophobicContact CB-CG2 4.3Å; P107-V157 HydrophobicContact CG-CG2 4.37Å
108	E	98.6	Very high	98.6	Very high	93 Å²	93	31.2 Å²	31.2	44%	0.435	15%	0.154	S	C	.	.	H	α-helix	trans	-60.5	-28.5	176	70.7	-79.8	-171	0	0	113.2	R106 L110 D111 S112	R106-E108 WeakPolarHBondContact CA-OE2 3.4Å; R106-E108 WeakPolarHBondContact CB-OE1 3.28Å; R106-E108 IonicContact NH1-OE1 2.76Å; R106-E108 PolarHBondContact O-N 2.88Å; R106-E108 VanDerWaalsContact O-N 3.09Å; E108-L110 VanDerWaalsContact C-N 3.32Å; E108-D111 WeakPolarHBondContact O-CB 3.29Å; E108-D111 PolarHBondContact O-N 3.24Å; E108-S112 PolarHBondContact O-N 3.36Å; E108-S112 PolarHBondContact O-OG 3.42Å
109	T	98.9	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-74.3	-24.6	176.7	67.5	0	0	0	0	112.6	D31 D103 R106 P107	D31-T109 HydrophobicContact CB-CG2 3.83Å; D103-T109 HydrophobicContact CB-CG2 4.29Å; D103-T109 PolarHBondContact N-OG1 3.13Å; D103-T109 PolarHBondContact O-OG1 2.79Å; R106-T109 HydrophobicContact CB-CG2 3.84Å; R106-T109 WeakPolarHBondContact O-CB 3.45Å; R106-T109 PolarHBondContact O-N 3.33Å; R106-T109 PolarHBondContact O-OG1 3.1Å; P107-T109 PolarHBondContact O-N 3.39Å
110	L	98.8	Very high	98.6	Very high	18 Å²	18	34.2 Å²	34.2	9%	0.094	18%	0.179	C	C	.	.	H	α-helix	trans	-71	-41.2	170.5	-174.6	74.6	0	0	0	110	F102 P107 E108 S112 V113 V157 Q161 L165	F102-L110 HydrophobicContact CD1-CD1 3.65Å; F102-L110 HydrophobicContact CD2-CB 4.08Å; F102-L110 HydrophobicContact CD2-CD1 3.84Å; F102-L110 HydrophobicContact CE1-CD1 3.52Å; F102-L110 HydrophobicContact CE2-CD1 3.76Å; F102-L110 HydrophobicContact CG-CB 4.34Å; F102-L110 HydrophobicContact CG-CD1 3.79Å; F102-L110 HydrophobicContact CZ-CD1 3.58Å; P107-L110 VanDerWaalsContact O-CB 3.29Å; P107-L110 WeakPolarHBondContact O-CB 3.42Å; P107-L110 PolarHBondContact O-N 2.99Å; E108-L110 VanDerWaalsContact C-N 3.32Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.13Å; L110-V113 WeakPolarHBondContact O-CB 3.47Å; L110-V113 WeakPolarHBondContact O-CG2 3.4Å; L110-V113 PolarHBondContact O-N 2.98Å; L110-V113 VanDerWaalsContact O-N 3.15Å; L110-V157 HydrophobicContact CB-CG2 4.18Å; L110-V157 HydrophobicContact CD1-CG1 4.41Å; L110-V157 HydrophobicContact CD2-CG1 3.73Å; L110-V157 HydrophobicContact CD2-CG2 4.15Å; L110-Q161 HydrophobicContact CD2-CB 4.26Å; L110-L165 HydrophobicContact CD1-CD2 3.32Å; L110-L165 HydrophobicContact CD2-CD2 4.49Å; L110-L165 HydrophobicContact CG-CD2 3.64Å
111	D	98.6	Very high	98.4	Very high	83 Å²	83	35.3 Å²	35.3	44%	0.444	18%	0.183	S	C	.	.	H	α-helix	trans	-60.8	-40.2	174.6	-75.9	-2.8	0	0	0	112.1	P107 E108 V113 V114 K115	P107-D111 PolarHBondContact O-N 3Å; E108-D111 WeakPolarHBondContact O-CB 3.29Å; E108-D111 PolarHBondContact O-N 3.24Å; D111-V113 PolarHBondContact O-N 3.48Å; D111-V113 VanDerWaalsContact O-N 3.16Å; D111-V114 PolarHBondContact O-N 2.9Å; D111-V114 VanDerWaalsContact O-N 3.14Å; D111-K115 HydrophobicContact CB-CD 4.26Å; D111-K115 WeakPolarHBondContact O-CG 3.35Å; D111-K115 PolarHBondContact O-N 2.83Å; D111-K115 VanDerWaalsContact O-N 3.1Å; D111-K115 IonicContact OD2-NZ 3.53Å; D111-K115 PolarHBondContact OD2-NZ 3.4Å
112	S	98.8	Very high	98.3	Very high	26 Å²	26	40.3 Å²	40.3	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-57.1	-26.6	177	-63.8	0	0	0	0	112.7	D31 E108 L110 V114 K115 K116 W117	D31-S112 WeakPolarHBondContact OD1-CB 3.35Å; D31-S112 PolarHBondContact OD1-OG 2.88Å; D31-S112 WeakPolarHBondContact OD2-CB 3.37Å; D31-S112 PolarHBondContact OD2-OG 3.44Å; E108-S112 PolarHBondContact O-N 3.36Å; E108-S112 PolarHBondContact O-OG 3.42Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.13Å; S112-V114 VanDerWaalsContact C-N 3.34Å; S112-V114 PolarHBondContact O-N 2.86Å; S112-K115 PolarHBondContact O-N 2.84Å; S112-K116 WeakPolarHBondContact O-CB 3.35Å; S112-K116 PolarHBondContact O-N 3.15Å; S112-W117 VanDerWaalsContact O-CD1 3.27Å; S112-W117 PolarHBondContact O-N 3.32Å
113	V	98.8	Very high	98.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-57.7	-47.6	175.7	173.8	0	0	0	0	111	I100 F102 L110 D111 W117 Q118 L132 L165 I169	I100-V113 HydrophobicContact CG2-CB 4.4Å; I100-V113 HydrophobicContact CG2-CG1 3.99Å; I100-V113 HydrophobicContact CG2-CG2 3.92Å; F102-V113 HydrophobicContact CB-CG2 4.27Å; L110-V113 WeakPolarHBondContact O-CB 3.47Å; L110-V113 WeakPolarHBondContact O-CG2 3.4Å; L110-V113 PolarHBondContact O-N 2.98Å; L110-V113 VanDerWaalsContact O-N 3.15Å; D111-V113 PolarHBondContact O-N 3.48Å; D111-V113 VanDerWaalsContact O-N 3.16Å; V113-W117 PolarHBondContact O-N 3.04Å; V113-Q118 VanDerWaalsContact O-CB 3.25Å; V113-Q118 WeakPolarHBondContact O-CB 3.46Å; V113-Q118 PolarHBondContact O-N 2.84Å; V113-L132 HydrophobicContact CG1-CD1 3.93Å; V113-L132 HydrophobicContact CG2-CD1 4.02Å; V113-L165 HydrophobicContact CB-CD2 3.91Å; V113-L165 HydrophobicContact CG1-CD2 3.91Å; V113-L165 HydrophobicContact CG1-CG 4.5Å; V113-L165 HydrophobicContact CG2-CD2 4.35Å; V113-I169 HydrophobicContact CG1-CD1 3.81Å; V113-I169 HydrophobicContact CG1-CG2 4.42Å
114	V	97.9	Very high	98.2	Very high	61 Å²	61	50.8 Å²	50.8	37%	0.37	26%	0.255	S	S	.	.	I	π-helix	trans	-76.2	-43.1	178.7	-176.4	0	0	0	0	110.8	D111 S112 K116 L165 I169	D111-V114 PolarHBondContact O-N 2.9Å; D111-V114 VanDerWaalsContact O-N 3.14Å; S112-V114 VanDerWaalsContact C-N 3.34Å; S112-V114 PolarHBondContact O-N 2.86Å; V114-K116 VanDerWaalsContact C-N 3.3Å; V114-K116 PolarHBondContact O-N 2.66Å; V114-L165 HydrophobicContact CG2-CD1 3.29Å; V114-I169 HydrophobicContact CG2-CG2 4.43Å
115	K	98.1	Very high	98	Very high	161 Å²	161	51.2 Å²	51.2	70%	0.7	26%	0.258	S	S	*	.	I	π-helix	trans	-70	-26.5	-172.6	-67.7	170.8	-175.6	164.7	0	113.2	D111 S112	D111-K115 HydrophobicContact CB-CD 4.26Å; D111-K115 WeakPolarHBondContact O-CG 3.35Å; D111-K115 PolarHBondContact O-N 2.83Å; D111-K115 VanDerWaalsContact O-N 3.1Å; D111-K115 IonicContact OD2-NZ 3.53Å; D111-K115 PolarHBondContact OD2-NZ 3.4Å; S112-K115 PolarHBondContact O-N 2.84Å
116	K	98.3	Very high	97.9	Very high	53 Å²	53	53.3 Å²	53.3	23%	0.23	27%	0.271	C	S	.	.	I	π-helix	trans	-136.7	-65.7	-172.4	179	176.5	179	163.2	0	112.7	D85 S112 V114 Q118 G119 E120	D85-K116 WeakPolarHBondContact OD1-CE 3.4Å; D85-K116 IonicContact OD1-NZ 3.67Å; D85-K116 PolarHBondContact OD1-NZ 2.92Å; D85-K116 IonicContact OD2-NZ 3.5Å; D85-K116 PolarHBondContact OD2-NZ 2.92Å; S112-K116 WeakPolarHBondContact O-CB 3.35Å; S112-K116 PolarHBondContact O-N 3.15Å; V114-K116 VanDerWaalsContact C-N 3.3Å; V114-K116 PolarHBondContact O-N 2.66Å; K116-Q118 VanDerWaalsContact C-N 3.34Å; K116-Q118 PolarHBondContact O-N 2.85Å; K116-G119 PolarHBondContact O-N 3.16Å; K116-G119 VanDerWaalsContact O-N 3.11Å; K116-E120 WeakPolarHBondContact CE-OE2 3.25Å; K116-E120 PolarHBondContact O-N 3.12Å
117	W	98.6	Very high	97.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.298	C	S	.	.	I	π-helix	trans	-65.8	-35.6	-161.7	-57.7	115.1	0	0	0	113.6	V29 G30 D31 R88 I100 S112 V113 R121	V29-W117 HydrophobicContact CB-CE3 3.82Å; V29-W117 HydrophobicContact CB-CZ3 4.01Å; V29-W117 HydrophobicContact CG2-CE3 4.04Å; G30-W117 VanDerWaalsContact C-CE2 3.43Å; G30-W117 VanDerWaalsContact CA-CE2 3.44Å; G30-W117 VanDerWaalsContact O-CZ2 3.28Å; G30-W117 WeakPolarHBondContact O-CZ2 3.4Å; D31-W117 PolarHBondContact OD1-NE1 2.91Å; R88-W117 VanDerWaalsContact CZ-CZ3 3.43Å; I100-W117 HydrophobicContact CD1-CB 4.41Å; I100-W117 HydrophobicContact CG2-CB 3.67Å; I100-W117 HydrophobicContact CG2-CG 4.2Å; S112-W117 VanDerWaalsContact O-CD1 3.27Å; S112-W117 PolarHBondContact O-N 3.32Å; V113-W117 PolarHBondContact O-N 3.04Å; W117-R121 VanDerWaalsContact O-CB 3.23Å; W117-R121 WeakPolarHBondContact O-CB 3.37Å; W117-R121 PolarHBondContact O-N 2.64Å
118	Q	97.4	Very high	97.7	Very high	56 Å²	56	56.8 Å²	56.8	26%	0.262	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-45.7	175.2	-175.4	-174.1	5	0	0	111.6	V113 K116 Q122 I169	V113-Q118 VanDerWaalsContact O-CB 3.25Å; V113-Q118 WeakPolarHBondContact O-CB 3.46Å; V113-Q118 PolarHBondContact O-N 2.84Å; K116-Q118 VanDerWaalsContact C-N 3.34Å; K116-Q118 PolarHBondContact O-N 2.85Å; Q118-Q122 WeakPolarHBondContact O-CB 3.41Å; Q118-Q122 PolarHBondContact O-N 3.23Å; Q118-I169 HydrophobicContact CG-CB 4.2Å; Q118-I169 HydrophobicContact CG-CG2 4.38Å; Q118-I169 VanDerWaalsContact OE1-CG2 3.25Å
119	G	97.9	Very high	97.6	Very high	42 Å²	42	56 Å²	56	43%	0.433	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-48.5	179.4	0	0	0	0	0	111.9	K116 R121 Q122 E123	K116-G119 PolarHBondContact O-N 3.16Å; K116-G119 VanDerWaalsContact O-N 3.11Å; G119-R121 PolarHBondContact O-N 3.36Å; G119-Q122 WeakPolarHBondContact O-CB 3.46Å; G119-Q122 PolarHBondContact O-N 3.22Å; G119-Q122 VanDerWaalsContact O-N 3.09Å; G119-E123 PolarHBondContact O-N 2.89Å
120	E	98.2	Very high	97.6	Very high	20 Å²	20	56.3 Å²	56.3	9%	0.093	29%	0.291	C	S	.	.	H	α-helix	trans	-58	-48.1	177.7	-172.8	175.5	134.8	0	0	111.6	R88 Y92 K116 Q122 E123 F124	R88-E120 VanDerWaalsContact CD-OE1 3.26Å; R88-E120 WeakPolarHBondContact CD-OE1 3.4Å; R88-E120 IonicContact CZ-OE1 3.29Å; R88-E120 IonicContact NE-OE1 2.86Å; R88-E120 VanDerWaalsContact NH1-CD 3.25Å; R88-E120 IonicContact NH1-OE1 2.8Å; R88-E120 PolarHBondContact NH1-OE1 3.08Å; R88-E120 IonicContact NH1-OE2 2.9Å; R88-E120 PolarHBondContact NH1-OE2 3.06Å; Y92-E120 HydrophobicContact CE2-CG 4.01Å; Y92-E120 PolarHBondContact OH-OE1 2.82Å; Y92-E120 VanDerWaalsContact OH-OE1 3.13Å; K116-E120 WeakPolarHBondContact CE-OE2 3.25Å; K116-E120 PolarHBondContact O-N 3.12Å; E120-Q122 VanDerWaalsContact C-N 3.3Å; E120-Q122 PolarHBondContact O-N 2.78Å; E120-E123 PolarHBondContact O-N 3.44Å; E120-F124 HydrophobicContact CG-CD2 3.89Å; E120-F124 HydrophobicContact CG-CE2 4.01Å; E120-F124 WeakPolarHBondContact O-CD2 3.37Å; E120-F124 PolarHBondContact O-N 2.98Å; E120-F124 VanDerWaalsContact O-N 3.1Å
121	R	95.3	Very high	97.6	Very high	24 Å²	24	55.5 Å²	55.5	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-40.1	175.6	175.6	-85.4	141.3	150.2	12.8	112.1	V98 W117 G119 E123 C125 P126 A128 V130	V98-R121 HydrophobicContact CB-CG 4.17Å; V98-R121 HydrophobicContact CG1-CG 4.16Å; V98-R121 HydrophobicContact CG2-CG 3.99Å; W117-R121 VanDerWaalsContact O-CB 3.23Å; W117-R121 WeakPolarHBondContact O-CB 3.37Å; W117-R121 PolarHBondContact O-N 2.64Å; G119-R121 PolarHBondContact O-N 3.36Å; R121-E123 VanDerWaalsContact C-N 3.3Å; R121-E123 PolarHBondContact O-N 2.92Å; R121-C125 VanDerWaalsContact CZ-O 3.23Å; R121-C125 PolarHBondContact NE-O 2.87Å; R121-C125 PolarHBondContact NH2-O 2.86Å; R121-C125 CarbonylContact O-C 3.35Å; R121-C125 PolarHBondContact O-N 3.31Å; R121-C125 PolarHBondContact O-SG 3.28Å; R121-P126 PolarHBondContact NH2-O 3Å; R121-A128 PolarHBondContact NH2-O 3.04Å; R121-V130 HydrophobicContact CG-CG2 4.2Å
122	Q	96.8	Very high	97.6	Very high	105 Å²	105	51.5 Å²	51.5	49%	0.491	27%	0.266	S	S	.	.	H	α-helix	trans	-68.4	-32.1	-178.4	-172	63.1	44.5	0	0	111.8	Q118 G119 E120	Q118-Q122 WeakPolarHBondContact O-CB 3.41Å; Q118-Q122 PolarHBondContact O-N 3.23Å; G119-Q122 WeakPolarHBondContact O-CB 3.46Å; G119-Q122 PolarHBondContact O-N 3.22Å; G119-Q122 VanDerWaalsContact O-N 3.09Å; E120-Q122 VanDerWaalsContact C-N 3.3Å; E120-Q122 PolarHBondContact O-N 2.78Å
123	E	97.8	Very high	97.6	Very high	140 Å²	140	50.3 Å²	50.3	65%	0.654	26%	0.257	S	S	*	.	H	α-helix	trans	-71	-49.2	176.2	-175.6	174.1	176.6	0	0	111.8	G119 E120 R121	G119-E123 PolarHBondContact O-N 2.89Å; E120-E123 PolarHBondContact O-N 3.44Å; R121-E123 VanDerWaalsContact C-N 3.3Å; R121-E123 PolarHBondContact O-N 2.92Å
124	F	97.7	Very high	97.6	Very high	81 Å²	81	50.3 Å²	50.3	36%	0.355	26%	0.257	S	S	.	.	H	α-helix	trans	-96.8	-22.6	-168.2	-63.7	-66.5	0	0	0	115.5	P89 Y92 E120	P89-F124 HydrophobicContact CB-CD1 3.76Å; P89-F124 HydrophobicContact CB-CD2 4Å; P89-F124 HydrophobicContact CB-CE1 3.65Å; P89-F124 HydrophobicContact CB-CE2 3.93Å; P89-F124 HydrophobicContact CB-CG 3.94Å; P89-F124 HydrophobicContact CB-CZ 3.75Å; P89-F124 HydrophobicContact CG-CD1 4.43Å; P89-F124 HydrophobicContact CG-CD2 3.98Å; P89-F124 HydrophobicContact CG-CE1 4.01Å; P89-F124 HydrophobicContact CG-CE2 3.54Å; P89-F124 HydrophobicContact CG-CG 4.43Å; P89-F124 HydrophobicContact CG-CZ 3.55Å; Y92-F124 HydrophobicContact CD2-CB 3.36Å; Y92-F124 AromaticContact CD2-CD2 3.97Å; Y92-F124 HydrophobicContact CD2-CD2 3.97Å; Y92-F124 AromaticContact CD2-CG 3.88Å; Y92-F124 HydrophobicContact CD2-CG 3.88Å; Y92-F124 HydrophobicContact CE2-CB 4.14Å; Y92-F124 HydrophobicContact CE2-CD2 4.02Å; Y92-F124 HydrophobicContact CE2-CG 4.4Å; Y92-F124 HydrophobicContact CG-CB 3.81Å; E120-F124 HydrophobicContact CG-CD2 3.89Å; E120-F124 HydrophobicContact CG-CE2 4.01Å; E120-F124 WeakPolarHBondContact O-CD2 3.37Å; E120-F124 PolarHBondContact O-N 2.98Å; E120-F124 VanDerWaalsContact O-N 3.1Å
125	C	96.1	Very high	97.7	Very high	10 Å²	10	47.4 Å²	47.4	7%	0.068	24%	0.24	C	C	.	.			trans	-151	64.1	179.5	55.4	0	0	0	0	113	Y92 R121 N127 A128	Y92-C125 HydrophobicContact CD1-CB 4.45Å; Y92-C125 WeakPolarHBondContact CD1-SG 3.39Å; R121-C125 VanDerWaalsContact CZ-O 3.23Å; R121-C125 PolarHBondContact NE-O 2.87Å; R121-C125 PolarHBondContact NH2-O 2.86Å; R121-C125 CarbonylContact O-C 3.35Å; R121-C125 PolarHBondContact O-N 3.31Å; R121-C125 PolarHBondContact O-SG 3.28Å; C125-N127 PolarHBondContact O-N 2.88Å; C125-N127 VanDerWaalsContact O-N 3.07Å; C125-A128 HydrophobicContact CB-CB 4.34Å; C125-A128 PolarHBondContact O-N 3.07Å
126	P	96.3	Very high	97.7	Very high	61 Å²	61	42.6 Å²	42.6	40%	0.396	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.7	-171.7	25.3	-36.2	0	0	0	115.8	R121	R121-P126 PolarHBondContact NH2-O 3Å
127	N	94.9	Very high	97.7	Very high	150 Å²	150	42.5 Å²	42.5	80%	0.802	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-20.7	-178.1	-63.6	-34	0	0	0	114.2	C125	C125-N127 PolarHBondContact O-N 2.88Å; C125-N127 VanDerWaalsContact O-N 3.07Å
128	A	96.9	Very high	97.7	Very high	9 Å²	9	44 Å²	44	7%	0.074	23%	0.228	C	C	.	.	S	Bend	trans	-56.4	149.7	178.8	0	0	0	0	0	112.7	S95 D96 V98 R121 C125	S95-A128 VanDerWaalsContact O-CB 3.28Å; S95-A128 WeakPolarHBondContact O-CB 3.4Å; D96-A128 WeakPolarHBondContact O-CA 3.36Å; V98-A128 HydrophobicContact CG2-CB 3.98Å; R121-A128 PolarHBondContact NH2-O 3.04Å; C125-A128 HydrophobicContact CB-CB 4.34Å; C125-A128 PolarHBondContact O-N 3.07Å
129	K	97.9	Very high	97.7	Very high	75 Å²	75	43.6 Å²	43.6	33%	0.326	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	136.1	171.3	-57.9	-51.4	-170.9	-173.7	0	110	D96 A97 V98 V172	D96-K129 PolarHBondContact O-N 2.67Å; A97-K129 CarbonylContact C-O 3.56Å; A97-K129 VanDerWaalsContact CA-O 3.24Å; A97-K129 WeakPolarHBondContact CA-O 3.49Å; V98-K129 PolarHBondContact N-O 3.21Å; K129-V172 HydrophobicContact CB-CG1 4.3Å; K129-V172 HydrophobicContact CB-CG2 4.32Å; K129-V172 HydrophobicContact CD-CG1 4.12Å
130	V	98.3	Very high	97.8	Very high	8 Å²	8	44.4 Å²	44.4	5%	0.048	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.5	178.5	178	0	0	0	0	109.8	V98 I100 R121 I169 A171 V172	V98-V130 WeakPolarHBondContact O-CA 3.44Å; I100-V130 HydrophobicContact CD1-CG1 3.75Å; I100-V130 HydrophobicContact CG1-CG1 4.11Å; R121-V130 HydrophobicContact CG-CG2 4.2Å; V130-I169 HydrophobicContact CG1-CD1 4.38Å; V130-A171 HydrophobicContact CB-CB 4.42Å; V130-A171 HydrophobicContact CG1-CB 4.06Å; V130-A171 CarbonylContact O-C 3.58Å; V130-A171 VanDerWaalsContact O-CA 3.3Å; V130-A171 WeakPolarHBondContact O-CA 3.33Å; V130-A171 WeakPolarHBondContact O-CB 3.43Å; V130-V172 WeakPolarHBondContact O-CG2 3.3Å; V130-V172 PolarHBondContact O-N 3.07Å
131	V	98.7	Very high	97.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.3	166.8	179.7	0	0	0	0	108	V98 L99 I100 V133 V172 A173 T193	V98-V131 PolarHBondContact O-N 3.35Å; L99-V131 WeakPolarHBondContact CA-O 3.46Å; L99-V131 HydrophobicContact CD2-CB 3.77Å; L99-V131 HydrophobicContact CD2-CG1 4.29Å; L99-V131 HydrophobicContact CD2-CG2 4.46Å; I100-V131 PolarHBondContact N-O 3.1Å; V131-V133 HydrophobicContact CG1-CG2 4.11Å; V131-V172 HydrophobicContact CG2-CG2 3.82Å; V131-A173 HydrophobicContact CG1-CB 4.33Å; V131-T193 HydrophobicContact CG2-CG2 4.38Å
132	L	98.9	Very high	97.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.3	172.6	-176.2	68.7	0	0	0	108.6	I100 F102 V113 G162 L165 A166 I169 A171 A173 Y174 T175	I100-L132 HydrophobicContact CB-CD1 4.36Å; I100-L132 HydrophobicContact CG2-CD1 4.38Å; F102-L132 HydrophobicContact CD1-CD1 3.92Å; F102-L132 HydrophobicContact CD1-CG 4.21Å; F102-L132 HydrophobicContact CE1-CD1 4.16Å; F102-L132 HydrophobicContact CE1-CD2 4.11Å; F102-L132 HydrophobicContact CE1-CG 3.94Å; V113-L132 HydrophobicContact CG1-CD1 3.93Å; V113-L132 HydrophobicContact CG2-CD1 4.02Å; L132-G162 WeakPolarHBondContact CD2-O 3.23Å; L132-L165 HydrophobicContact CD2-CB 4.2Å; L132-L165 HydrophobicContact CD2-CD2 4.15Å; L132-L165 HydrophobicContact CD2-CG 4.14Å; L132-A166 HydrophobicContact CB-CB 4.07Å; L132-A166 HydrophobicContact CD2-CB 3.86Å; L132-I169 HydrophobicContact CB-CD1 4.49Å; L132-I169 HydrophobicContact CD1-CD1 4.26Å; L132-A171 HydrophobicContact CB-CB 4.37Å; L132-A173 PolarHBondContact N-O 2.82Å; L132-A173 VanDerWaalsContact N-O 3.1Å; L132-Y174 HydrophobicContact CB-CD2 4.07Å; L132-Y174 HydrophobicContact CD2-CD2 3.94Å; L132-Y174 HydrophobicContact CD2-CE2 4.3Å; L132-Y174 HydrophobicContact CG-CD2 3.96Å; L132-Y174 HydrophobicContact CG-CE2 4.33Å; L132-Y174 WeakPolarHBondContact O-CA 3.45Å; L132-Y174 WeakPolarHBondContact O-CD2 3.11Å; L132-T175 PolarHBondContact O-N 3.35Å
133	V	98.9	Very high	98	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118	-175.8	-171.1	0	0	0	0	110.5	L39 L99 I100 C101 F102 V131 T175 V189	L39-V133 HydrophobicContact CD2-CG1 4.32Å; L99-V133 HydrophobicContact CB-CG2 4.27Å; L99-V133 HydrophobicContact CD2-CG2 4.11Å; I100-V133 PolarHBondContact O-N 3.45Å; C101-V133 WeakPolarHBondContact CA-O 3.48Å; F102-V133 WeakPolarHBondContact CD1-O 2.91Å; F102-V133 PolarHBondContact N-O 3.14Å; V131-V133 HydrophobicContact CG1-CG2 4.11Å; V133-T175 CarbonylContact C-O 3.57Å; V133-T175 WeakPolarHBondContact CA-O 3.35Å; V133-V189 HydrophobicContact CG1-CG1 4.19Å; V133-V189 HydrophobicContact CG1-CG2 4.07Å; V133-V189 HydrophobicContact CG2-CG1 3.83Å
134	G	98.9	Very high	98	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	105.9	168.6	0	0	0	0	0	110.6	I104 T175 E176 C177	I104-G134 WeakPolarHBondContact CD1-O 3.35Å; G134-T175 PolarHBondContact N-O 3.02Å; G134-E176 CarbonylContact O-C 3.59Å; G134-E176 VanDerWaalsContact O-CA 3.24Å; G134-E176 WeakPolarHBondContact O-CA 3.47Å; G134-C177 PolarHBondContact O-N 2.98Å
135	C	98.9	Very high	98	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	161.7	178.5	-63.4	0	0	0	0	111.7	C34 F102 I104	C34-C135 WeakPolarHBondContact O-CB 3.33Å; F102-C135 WeakPolarHBondContact O-CB 3.14Å; F102-C135 PolarHBondContact O-N 3.16Å; I104-C135 WeakPolarHBondContact CB-O 3.12Å; I104-C135 WeakPolarHBondContact CG1-O 3.4Å; I104-C135 PolarHBondContact N-O 2.99Å
136	K	98.6	Very high	98.1	Very high	59 Å²	59	47.9 Å²	47.9	26%	0.257	26%	0.262	S	S	.	.			trans	59.3	45	177.9	-47.3	-171.2	-166.4	164.5	0	112.9	Q33 D103 D138 M139 C177	Q33-K136 WeakPolarHBondContact O-CE 3.47Å; Q33-K136 PolarHBondContact O-NZ 2.69Å; D103-K136 WeakPolarHBondContact OD2-CE 3.35Å; D103-K136 IonicContact OD2-NZ 3.99Å; D103-K136 PolarHBondContact OD2-NZ 3.46Å; K136-D138 PolarHBondContact O-N 3.24Å; K136-D138 VanDerWaalsContact O-N 3.14Å; K136-M139 HydrophobicContact CB-CB 4.44Å; K136-M139 HydrophobicContact CB-CG 3.83Å; K136-M139 VanDerWaalsContact O-CB 3.29Å; K136-M139 WeakPolarHBondContact O-CB 3.4Å; K136-M139 PolarHBondContact O-N 3.41Å; K136-C177 PolarHBondContact N-O 2.7Å; K136-C177 VanDerWaalsContact N-O 3.1Å
137	L	98.8	Very high	98.2	Very high	51 Å²	51	53.3 Å²	53.3	27%	0.267	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-49.8	-38.1	179.4	173.6	56.8	0	0	0	113.6	I104 M139 R140 E176 C177	I104-L137 HydrophobicContact CD1-CB 4.08Å; I104-L137 HydrophobicContact CD1-CD1 4.08Å; L137-M139 PolarHBondContact O-N 2.99Å; L137-M139 VanDerWaalsContact O-N 3.15Å; L137-R140 VanDerWaalsContact O-CB 3.29Å; L137-R140 WeakPolarHBondContact O-CB 3.28Å; L137-R140 PolarHBondContact O-N 3.36Å; L137-E176 HydrophobicContact CD1-CB 4.33Å; L137-E176 WeakPolarHBondContact CD1-OE2 3.43Å; L137-E176 HydrophobicContact CD2-CB 4.16Å; L137-C177 WeakPolarHBondContact CB-O 3.49Å; L137-C177 PolarHBondContact N-O 3.31Å
138	D	98.4	Very high	98.3	Very high	31 Å²	31	50.4 Å²	50.4	17%	0.166	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-54.3	-30.4	176.3	51.1	-72.8	0	0	0	113.7	K136 R140 T141 T178 F181	K136-D138 PolarHBondContact O-N 3.24Å; K136-D138 VanDerWaalsContact O-N 3.14Å; D138-R140 PolarHBondContact O-N 3.48Å; D138-T141 PolarHBondContact O-N 2.96Å; D138-T141 PolarHBondContact O-OG1 3.03Å; D138-T178 WeakPolarHBondContact OD1-CB 3.49Å; D138-T178 PolarHBondContact OD1-OG1 3.43Å; D138-F181 HydrophobicContact CB-CD2 3.54Å; D138-F181 HydrophobicContact CB-CE2 3.74Å; D138-F181 WeakPolarHBondContact OD2-CE2 3.29Å
139	M	98.4	Very high	98.4	Very high	49 Å²	49	50.9 Å²	50.9	24%	0.241	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-71.5	-15.5	-179.7	-62.2	-73.2	137.7	0	0	113.3	K136 L137 T141 D142 V145	K136-M139 HydrophobicContact CB-CB 4.44Å; K136-M139 HydrophobicContact CB-CG 3.83Å; K136-M139 VanDerWaalsContact O-CB 3.29Å; K136-M139 WeakPolarHBondContact O-CB 3.4Å; K136-M139 PolarHBondContact O-N 3.41Å; L137-M139 PolarHBondContact O-N 2.99Å; L137-M139 VanDerWaalsContact O-N 3.15Å; M139-T141 PolarHBondContact O-N 3.34Å; M139-D142 PolarHBondContact O-N 2.9Å; M139-D142 HydrophobicContact SD-CB 4.29Å; M139-V145 HydrophobicContact CB-CG2 4.25Å; M139-V145 HydrophobicContact SD-CG2 3.82Å
140	R	98.3	Very high	98.4	Very high	59 Å²	59	50.8 Å²	50.8	22%	0.223	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-61.1	-31.9	176.2	-174.1	175.1	-67.9	141.4	-1.9	112.3	I104 L137 D138 P156 V157 E176	I104-R140 HydrophobicContact CG2-CB 3.97Å; L137-R140 VanDerWaalsContact O-CB 3.29Å; L137-R140 WeakPolarHBondContact O-CB 3.28Å; L137-R140 PolarHBondContact O-N 3.36Å; D138-R140 PolarHBondContact O-N 3.48Å; R140-P156 HydrophobicContact CB-CB 4.47Å; R140-P156 HydrophobicContact CG-CB 4.26Å; R140-V157 PolarHBondContact NE-O 2.88Å; R140-V157 PolarHBondContact NH2-O 3.42Å; R140-E176 IonicContact CZ-OE1 3.44Å; R140-E176 IonicContact CZ-OE2 2.95Å; R140-E176 IonicContact NH1-OE1 2.74Å; R140-E176 IonicContact NH1-OE2 3.49Å; R140-E176 PolarHBondContact NH1-OE2 3.5Å; R140-E176 IonicContact NH2-OE1 3.27Å; R140-E176 PolarHBondContact NH2-OE1 3.12Å; R140-E176 IonicContact NH2-OE2 3.67Å; R140-E176 PolarHBondContact NH2-OE2 3.12Å
141	T	97.8	Very high	98.4	Very high	111 Å²	111	56.9 Å²	56.9	68%	0.681	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-105.1	3.1	179.9	50.2	0	0	0	0	113	D138 M139 V143 M146	D138-T141 PolarHBondContact O-N 2.96Å; D138-T141 PolarHBondContact O-OG1 3.03Å; M139-T141 PolarHBondContact O-N 3.34Å; T141-V143 PolarHBondContact O-N 2.85Å; T141-M146 WeakPolarHBondContact O-CE 3.49Å
142	D	98.4	Very high	98.3	Very high	57 Å²	57	62.9 Å²	62.9	31%	0.305	32%	0.32	S	S	.	.			trans	-71.9	125.7	177.7	-179.3	-89.5	0	0	0	110.9	M139 S144 V145 M146	M139-D142 PolarHBondContact O-N 2.9Å; M139-D142 HydrophobicContact SD-CB 4.29Å; D142-S144 VanDerWaalsContact C-N 3.31Å; D142-S144 PolarHBondContact O-N 3.17Å; D142-S144 WeakPolarHBondContact OD1-CA 3.41Å; D142-S144 VanDerWaalsContact OD1-CB 3.23Å; D142-S144 WeakPolarHBondContact OD1-CB 3.28Å; D142-S144 PolarHBondContact OD1-N 3.18Å; D142-V145 HydrophobicContact CB-CB 4.07Å; D142-V145 HydrophobicContact CB-CG2 3.96Å; D142-V145 PolarHBondContact O-N 2.87Å; D142-V145 WeakPolarHBondContact OD1-CG2 3.39Å; D142-V145 PolarHBondContact OD1-N 3.48Å; D142-M146 WeakPolarHBondContact O-CG 3.4Å; D142-M146 PolarHBondContact O-N 2.89Å
143	V	98.3	Very high	98.3	Very high	94 Å²	94	74.2 Å²	74.2	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-65.8	-35.1	-175	176.7	0	0	0	0	111.8	T141 M146 R147	T141-V143 PolarHBondContact O-N 2.85Å; V143-M146 HydrophobicContact CG2-CE 4.29Å; V143-R147 VanDerWaalsContact O-CB 3.26Å; V143-R147 WeakPolarHBondContact O-CB 3.24Å; V143-R147 PolarHBondContact O-N 3.1Å
144	S	98.3	Very high	98.2	Very high	85 Å²	85	78 Å²	78	59%	0.594	38%	0.383	S	S	*	.	H	α-helix	trans	-71.2	-43.9	-178.8	-52	0	0	0	0	110.6	D142 R147 E148	D142-S144 VanDerWaalsContact C-N 3.31Å; D142-S144 PolarHBondContact O-N 3.17Å; D142-S144 WeakPolarHBondContact OD1-CA 3.41Å; D142-S144 VanDerWaalsContact OD1-CB 3.23Å; D142-S144 WeakPolarHBondContact OD1-CB 3.28Å; D142-S144 PolarHBondContact OD1-N 3.18Å; S144-R147 PolarHBondContact O-N 3.3Å; S144-E148 WeakPolarHBondContact O-CB 3.46Å; S144-E148 PolarHBondContact O-N 3.23Å
145	V	98.3	Very high	98.2	Very high	25 Å²	25	83 Å²	83	15%	0.152	41%	0.408	C	S	.	.	H	α-helix	trans	-59.7	-50.4	173.9	171.6	0	0	0	0	110.8	M139 D142 R147 E148 L149 P156	M139-V145 HydrophobicContact CB-CG2 4.25Å; M139-V145 HydrophobicContact SD-CG2 3.82Å; D142-V145 HydrophobicContact CB-CB 4.07Å; D142-V145 HydrophobicContact CB-CG2 3.96Å; D142-V145 PolarHBondContact O-N 2.87Å; D142-V145 WeakPolarHBondContact OD1-CG2 3.39Å; D142-V145 PolarHBondContact OD1-N 3.48Å; V145-R147 VanDerWaalsContact C-N 3.32Å; V145-R147 PolarHBondContact O-N 3.4Å; V145-E148 PolarHBondContact O-N 2.95Å; V145-L149 HydrophobicContact CG1-CD1 3.87Å; V145-L149 HydrophobicContact CG1-CG 4.47Å; V145-L149 WeakPolarHBondContact O-CG 3.39Å; V145-L149 PolarHBondContact O-N 3.44Å; V145-P156 HydrophobicContact CG1-CG 4.19Å
146	M	98.1	Very high	98.2	Very high	81 Å²	81	83.5 Å²	83.5	40%	0.399	41%	0.411	S	S	.	.	H	α-helix	trans	-59.9	-43	178.7	-73.4	-171.8	-69.7	0	0	111.8	T141 D142 V143 S150 P156	T141-M146 WeakPolarHBondContact O-CE 3.49Å; D142-M146 WeakPolarHBondContact O-CG 3.4Å; D142-M146 PolarHBondContact O-N 2.89Å; V143-M146 HydrophobicContact CG2-CE 4.29Å; M146-S150 WeakPolarHBondContact O-CB 3.31Å; M146-S150 PolarHBondContact O-N 3.46Å; M146-P156 HydrophobicContact CG-CG 4.15Å
147	R	98.3	Very high	98.2	Very high	174 Å²	174	80.7 Å²	80.7	66%	0.657	40%	0.399	S	S	*	.	H	α-helix	trans	-61.9	-45.8	176.6	-177.1	-178.4	-71.2	175.9	-2.3	111.3	V143 S144 V145 S150	V143-R147 VanDerWaalsContact O-CB 3.26Å; V143-R147 WeakPolarHBondContact O-CB 3.24Å; V143-R147 PolarHBondContact O-N 3.1Å; S144-R147 PolarHBondContact O-N 3.3Å; V145-R147 VanDerWaalsContact C-N 3.32Å; V145-R147 PolarHBondContact O-N 3.4Å; R147-S150 PolarHBondContact O-N 3.5Å; R147-S150 PolarHBondContact O-OG 2.91Å
148	E	97.9	Very high	98.2	Very high	90 Å²	90	80.3 Å²	80.3	42%	0.421	40%	0.399	S	S	.	.	H	α-helix	trans	-63.8	-49.9	-179.1	-168.6	57.8	-146.6	0	0	111.7	S144 V145 S150 K151	S144-E148 WeakPolarHBondContact O-CB 3.46Å; S144-E148 PolarHBondContact O-N 3.23Å; V145-E148 PolarHBondContact O-N 2.95Å; E148-S150 VanDerWaalsContact C-N 3.27Å; E148-S150 PolarHBondContact O-N 3.24Å; E148-K151 WeakPolarHBondContact O-CB 3.37Å; E148-K151 PolarHBondContact O-N 3.47Å; E148-K151 VanDerWaalsContact O-N 3.13Å; E148-K151 IonicContact OE1-NZ 2.75Å; E148-K151 WeakPolarHBondContact OE2-CE 3.48Å; E148-K151 IonicContact OE2-NZ 3.55Å; E148-K151 PolarHBondContact OE2-NZ 3.46Å
149	L	98.3	Very high	98.2	Very high	19 Å²	19	83.7 Å²	83.7	10%	0.099	41%	0.414	C	S	.	.	H	α-helix	trans	-61.6	-35.8	179.3	-69.5	173.7	0	0	0	112.3	P107 V145 K151 H152 R153 L154 P156	P107-L149 HydrophobicContact CG-CD2 4.38Å; V145-L149 HydrophobicContact CG1-CD1 3.87Å; V145-L149 HydrophobicContact CG1-CG 4.47Å; V145-L149 WeakPolarHBondContact O-CG 3.39Å; V145-L149 PolarHBondContact O-N 3.44Å; L149-K151 PolarHBondContact O-N 3.49Å; L149-H152 CarbonylContact O-C 3.56Å; L149-H152 WeakPolarHBondContact O-CA 3.38Å; L149-H152 PolarHBondContact O-N 3.24Å; L149-R153 PolarHBondContact O-N 3.4Å; L149-L154 CarbonylContact C-O 3.3Å; L149-L154 VanDerWaalsContact C-O 3.3Å; L149-L154 HydrophobicContact CB-CB 4.08Å; L149-L154 WeakPolarHBondContact CB-O 3.46Å; L149-L154 HydrophobicContact CD2-CB 4.12Å; L149-L154 HydrophobicContact CD2-CD1 4.41Å; L149-L154 PolarHBondContact O-N 2.79Å; L149-P156 HydrophobicContact CD1-CB 4.28Å; L149-P156 HydrophobicContact CD1-CG 3.77Å
150	S	97.8	Very high	98.2	Very high	73 Å²	73	87.7 Å²	87.7	51%	0.51	43%	0.432	S	S	.	.	H	α-helix	trans	-60.9	-30.2	177.9	77.7	0	0	0	0	113.6	M146 R147 E148 H152 R153	M146-S150 WeakPolarHBondContact O-CB 3.31Å; M146-S150 PolarHBondContact O-N 3.46Å; R147-S150 PolarHBondContact O-N 3.5Å; R147-S150 PolarHBondContact O-OG 2.91Å; E148-S150 VanDerWaalsContact C-N 3.27Å; E148-S150 PolarHBondContact O-N 3.24Å; S150-H152 PolarHBondContact O-N 2.81Å; S150-R153 PolarHBondContact O-N 2.97Å
151	K	98.1	Very high	98.3	Very high	135 Å²	135	89 Å²	89	59%	0.587	44%	0.44	S	S	*	.	H	α-helix	trans	-60.6	-29.3	175.1	-63.2	173.3	-178.4	169.3	0	111.7	E148 L149	E148-K151 WeakPolarHBondContact O-CB 3.37Å; E148-K151 PolarHBondContact O-N 3.47Å; E148-K151 VanDerWaalsContact O-N 3.13Å; E148-K151 IonicContact OE1-NZ 2.75Å; E148-K151 WeakPolarHBondContact OE2-CE 3.48Å; E148-K151 IonicContact OE2-NZ 3.55Å; E148-K151 PolarHBondContact OE2-NZ 3.46Å; L149-K151 PolarHBondContact O-N 3.49Å
152	H	97.4	Very high	98.3	Very high	126 Å²	126	83.7 Å²	83.7	58%	0.583	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	9.4	177.9	-61.2	-74.5	0	0	0	113.2	L149 S150 L154	L149-H152 CarbonylContact O-C 3.56Å; L149-H152 WeakPolarHBondContact O-CA 3.38Å; L149-H152 PolarHBondContact O-N 3.24Å; S150-H152 PolarHBondContact O-N 2.81Å; H152-L154 HydrophobicContact CB-CD1 4.15Å; H152-L154 HydrophobicContact CB-CG 4.19Å; H152-L154 PolarHBondContact O-N 3.39Å
153	R	97.8	Very high	98.3	Very high	239 Å²	239	83 Å²	83	90%	0.902	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	31.1	-174.9	-51.4	177.6	-178.9	-178.9	-0.1	113.1	L149 S150	L149-R153 PolarHBondContact O-N 3.4Å; S150-R153 PolarHBondContact O-N 2.97Å
154	L	98.1	Very high	98.4	Very high	79 Å²	79	81.7 Å²	81.7	41%	0.414	40%	0.396	S	S	.	.			trans	-106.2	163.7	175.5	-62.7	176.3	0	0	0	110.3	L149 H152	L149-L154 CarbonylContact C-O 3.3Å; L149-L154 VanDerWaalsContact C-O 3.3Å; L149-L154 HydrophobicContact CB-CB 4.08Å; L149-L154 WeakPolarHBondContact CB-O 3.46Å; L149-L154 HydrophobicContact CD2-CB 4.12Å; L149-L154 HydrophobicContact CD2-CD1 4.41Å; L149-L154 PolarHBondContact O-N 2.79Å; H152-L154 HydrophobicContact CB-CD1 4.15Å; H152-L154 HydrophobicContact CB-CG 4.19Å; H152-L154 PolarHBondContact O-N 3.39Å
155	I	98.4	Very high	98.4	Very high	104 Å²	104	78.3 Å²	78.3	53%	0.533	37%	0.371	S	S	.	.			trans	-129.6	157.4	170.1	60.5	169.9	0	0	0	108.9	P107 T158	P107-I155 VanDerWaalsContact CG-O 3.28Å; P107-I155 WeakPolarHBondContact CG-O 3.44Å; I155-T158 HydrophobicContact CD1-CG2 3.84Å
156	P	98.7	Very high	98.4	Very high	12 Å²	12	77.4 Å²	77.4	8%	0.078	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-55.5	149.9	169.5	-21.9	31.9	0	0	0	110.7	I104 R140 V145 M146 L149 T158	I104-P156 HydrophobicContact CG2-CB 4.35Å; I104-P156 WeakPolarHBondContact O-CA 3.3Å; R140-P156 HydrophobicContact CB-CB 4.47Å; R140-P156 HydrophobicContact CG-CB 4.26Å; V145-P156 HydrophobicContact CG1-CG 4.19Å; M146-P156 HydrophobicContact CG-CG 4.15Å; L149-P156 HydrophobicContact CD1-CB 4.28Å; L149-P156 HydrophobicContact CD1-CG 3.77Å; P156-T158 PolarHBondContact O-N 3.33Å
157	V	98.8	Very high	98.4	Very high	1 Å²	1	81.4 Å²	81.4	1%	0.006	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-59.4	124.9	-178.5	178.6	0	0	0	0	110.1	F102 I104 P107 L110 R140 Q161	F102-V157 HydrophobicContact CD2-CG2 4.39Å; F102-V157 HydrophobicContact CE2-CB 3.88Å; F102-V157 HydrophobicContact CE2-CG1 3.63Å; F102-V157 HydrophobicContact CE2-CG2 4.02Å; F102-V157 HydrophobicContact CZ-CG1 3.97Å; I104-V157 PolarHBondContact O-N 3.18Å; P107-V157 HydrophobicContact CB-CG2 4.3Å; P107-V157 HydrophobicContact CG-CG2 4.37Å; L110-V157 HydrophobicContact CB-CG2 4.18Å; L110-V157 HydrophobicContact CD1-CG1 4.41Å; L110-V157 HydrophobicContact CD2-CG1 3.73Å; L110-V157 HydrophobicContact CD2-CG2 4.15Å; R140-V157 PolarHBondContact NE-O 2.88Å; R140-V157 PolarHBondContact NH2-O 3.42Å; V157-Q161 HydrophobicContact CG1-CB 4Å
158	T	98.8	Very high	98.4	Very high	43 Å²	43	79.4 Å²	79.4	26%	0.264	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-80.6	156.9	177.3	74.4	0	0	0	0	111.1	I155 P156 E160 Q161 G162	I155-T158 HydrophobicContact CD1-CG2 3.84Å; P156-T158 PolarHBondContact O-N 3.33Å; T158-E160 PolarHBondContact O-N 2.89Å; T158-Q161 PolarHBondContact O-N 2.71Å; T158-Q161 VanDerWaalsContact O-N 3.16Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.32Å; T158-Q161 PolarHBondContact OG1-N 3.28Å; T158-Q161 VanDerWaalsContact OG1-N 3.15Å; T158-Q161 PolarHBondContact OG1-OE1 3.15Å; T158-G162 PolarHBondContact O-N 2.96Å; T158-G162 VanDerWaalsContact O-N 3.12Å
159	H	98.8	Very high	98.4	Very high	102 Å²	102	76 Å²	76	47%	0.472	36%	0.359	S	S	.	.	H	α-helix	trans	-57.5	-36.1	174.3	-171.8	73.3	0	0	0	112.5	G162 T163 Y174 E176	H159-G162 PolarHBondContact O-N 2.81Å; H159-T163 PolarHBondContact NE2-OG1 3.11Å; H159-T163 VanDerWaalsContact O-CB 3.32Å; H159-T163 WeakPolarHBondContact O-CB 3.26Å; H159-T163 PolarHBondContact O-N 2.85Å; H159-T163 PolarHBondContact O-OG1 3.47Å; H159-Y174 AromaticContact CE1-CD1 3.8Å; H159-Y174 AromaticContact CE1-CE1 3.71Å; H159-Y174 AromaticContact ND1-CE1 3.51Å; H159-Y174 WeakPolarHBondContact O-CE1 3.34Å; H159-E176 VanDerWaalsContact CA-OE1 3.3Å; H159-E176 WeakPolarHBondContact CA-OE1 3.44Å; H159-E176 IonicContact CG-OE1 2.68Å; H159-E176 IonicContact ND1-OE1 3.62Å; H159-E176 PolarHBondContact ND1-OE1 2.95Å; H159-E176 IonicContact ND1-OE2 3.21Å
160	E	98.8	Very high	98.3	Very high	133 Å²	133	77.9 Å²	77.9	62%	0.621	38%	0.383	S	S	*	.	H	α-helix	trans	-65.6	-43.5	177.2	-176.9	177.6	-170.9	0	0	111.8	T158 T163 N164	T158-E160 PolarHBondContact O-N 2.89Å; E160-T163 PolarHBondContact O-N 3.44Å; E160-N164 VanDerWaalsContact O-CB 3.3Å; E160-N164 WeakPolarHBondContact O-CB 3.35Å; E160-N164 VanDerWaalsContact O-CG 3.22Å; E160-N164 PolarHBondContact O-N 3.09Å; E160-N164 PolarHBondContact O-ND2 3.46Å
161	Q	98.8	Very high	98.4	Very high	85 Å²	85	74.7 Å²	74.7	40%	0.397	36%	0.361	S	S	.	.	H	α-helix	trans	-60	-47.2	176	-74.5	172.7	-47.8	0	0	111.4	L110 V157 T158 N164 L165	L110-Q161 HydrophobicContact CD2-CB 4.26Å; V157-Q161 HydrophobicContact CG1-CB 4Å; T158-Q161 PolarHBondContact O-N 2.71Å; T158-Q161 VanDerWaalsContact O-N 3.16Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.32Å; T158-Q161 PolarHBondContact OG1-N 3.28Å; T158-Q161 VanDerWaalsContact OG1-N 3.15Å; T158-Q161 PolarHBondContact OG1-OE1 3.15Å; Q161-N164 PolarHBondContact O-N 2.89Å; Q161-L165 WeakPolarHBondContact O-CB 3.47Å; Q161-L165 PolarHBondContact O-N 2.98Å
162	G	98.8	Very high	98.3	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.9	-43.8	176.6	0	0	0	0	0	112.8	L132 T158 H159 N164 L165 A166	L132-G162 WeakPolarHBondContact CD2-O 3.23Å; T158-G162 PolarHBondContact O-N 2.96Å; T158-G162 VanDerWaalsContact O-N 3.12Å; H159-G162 PolarHBondContact O-N 2.81Å; G162-N164 PolarHBondContact O-N 2.95Å; G162-L165 PolarHBondContact O-N 3.3Å; G162-A166 WeakPolarHBondContact O-CB 3.38Å; G162-A166 PolarHBondContact O-N 2.9Å
163	T	98.8	Very high	98.3	Very high	42 Å²	42	65.6 Å²	65.6	26%	0.258	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-44.3	177.1	-61.5	0	0	0	0	112.1	H159 E160 A166 R167 Y174	H159-T163 PolarHBondContact NE2-OG1 3.11Å; H159-T163 VanDerWaalsContact O-CB 3.32Å; H159-T163 WeakPolarHBondContact O-CB 3.26Å; H159-T163 PolarHBondContact O-N 2.85Å; H159-T163 PolarHBondContact O-OG1 3.47Å; E160-T163 PolarHBondContact O-N 3.44Å; T163-A166 PolarHBondContact O-N 3.15Å; T163-R167 PolarHBondContact O-N 2.85Å; T163-R167 VanDerWaalsContact O-N 3.13Å; T163-Y174 WeakPolarHBondContact OG1-CD1 3.48Å
164	N	98.8	Very high	98.4	Very high	68 Å²	68	55.8 Å²	55.8	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-64.9	-42	178.9	-74.8	-23.3	0	0	0	111.2	E160 Q161 G162 R167 Q168	E160-N164 VanDerWaalsContact O-CB 3.3Å; E160-N164 WeakPolarHBondContact O-CB 3.35Å; E160-N164 VanDerWaalsContact O-CG 3.22Å; E160-N164 PolarHBondContact O-N 3.09Å; E160-N164 PolarHBondContact O-ND2 3.46Å; Q161-N164 PolarHBondContact O-N 2.89Å; G162-N164 PolarHBondContact O-N 2.95Å; N164-R167 PolarHBondContact O-N 3.48Å; N164-R167 PolarHBondContact OD1-NH1 3.16Å; N164-Q168 PolarHBondContact O-N 2.8Å
165	L	98.8	Very high	98.4	Very high	14 Å²	14	53 Å²	53	7%	0.073	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-45.1	175.8	179.5	61.9	0	0	0	112.2	L110 V113 V114 L132 Q161 G162 R167 Q168 I169	L110-L165 HydrophobicContact CD1-CD2 3.32Å; L110-L165 HydrophobicContact CD2-CD2 4.49Å; L110-L165 HydrophobicContact CG-CD2 3.64Å; V113-L165 HydrophobicContact CB-CD2 3.91Å; V113-L165 HydrophobicContact CG1-CD2 3.91Å; V113-L165 HydrophobicContact CG1-CG 4.5Å; V113-L165 HydrophobicContact CG2-CD2 4.35Å; V114-L165 HydrophobicContact CG2-CD1 3.29Å; L132-L165 HydrophobicContact CD2-CB 4.2Å; L132-L165 HydrophobicContact CD2-CD2 4.15Å; L132-L165 HydrophobicContact CD2-CG 4.14Å; Q161-L165 WeakPolarHBondContact O-CB 3.47Å; Q161-L165 PolarHBondContact O-N 2.98Å; G162-L165 PolarHBondContact O-N 3.3Å; L165-R167 PolarHBondContact O-N 3.15Å; L165-Q168 WeakPolarHBondContact O-CA 3.47Å; L165-Q168 WeakPolarHBondContact O-CB 3.21Å; L165-Q168 PolarHBondContact O-N 2.75Å; L165-I169 HydrophobicContact CD1-CG2 3.68Å; L165-I169 HydrophobicContact CG-CG2 4.21Å; L165-I169 PolarHBondContact O-N 3.02Å
166	A	98.7	Very high	98.4	Very high	5 Å²	5	49.6 Å²	49.6	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-54.4	-41.8	176.9	0	0	0	0	0	111.5	L132 G162 T163 G170 A171 Y174	L132-A166 HydrophobicContact CB-CB 4.07Å; L132-A166 HydrophobicContact CD2-CB 3.86Å; G162-A166 WeakPolarHBondContact O-CB 3.38Å; G162-A166 PolarHBondContact O-N 2.9Å; T163-A166 PolarHBondContact O-N 3.15Å; A166-G170 PolarHBondContact O-N 3.26Å; A166-A171 HydrophobicContact CB-CB 4.05Å; A166-A171 WeakPolarHBondContact O-CB 3.48Å; A166-A171 PolarHBondContact O-N 2.76Å; A166-Y174 HydrophobicContact CB-CG 4.39Å
167	R	98.4	Very high	98.4	Very high	165 Å²	165	49 Å²	49	62%	0.623	26%	0.256	S	S	*	.	H	α-helix	trans	-64.3	-44.7	174.2	-168.5	-174.6	-57	111.8	2.6	112	T163 N164 L165 I169 G170	T163-R167 PolarHBondContact O-N 2.85Å; T163-R167 VanDerWaalsContact O-N 3.13Å; N164-R167 PolarHBondContact O-N 3.48Å; N164-R167 PolarHBondContact OD1-NH1 3.16Å; L165-R167 PolarHBondContact O-N 3.15Å; R167-I169 VanDerWaalsContact C-N 3.34Å; R167-I169 PolarHBondContact O-N 2.8Å; R167-G170 PolarHBondContact O-N 3.41Å
168	Q	98	Very high	98.4	Very high	132 Å²	132	49.6 Å²	49.6	62%	0.617	26%	0.26	S	S	*	.	H	α-helix	trans	-60.6	-41.5	179.6	178.2	-177.2	-37	0	0	112.2	N164 L165 G170	N164-Q168 PolarHBondContact O-N 2.8Å; L165-Q168 WeakPolarHBondContact O-CA 3.47Å; L165-Q168 WeakPolarHBondContact O-CB 3.21Å; L165-Q168 PolarHBondContact O-N 2.75Å; Q168-G170 VanDerWaalsContact C-N 3.28Å; Q168-G170 PolarHBondContact O-N 2.82Å
169	I	97.5	Very high	98.4	Very high	18 Å²	18	48.1 Å²	48.1	9%	0.092	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.7	-178.4	72.8	177.3	0	0	0	113.7	V113 V114 Q118 V130 L132 L165 R167 A171	V113-I169 HydrophobicContact CG1-CD1 3.81Å; V113-I169 HydrophobicContact CG1-CG2 4.42Å; V114-I169 HydrophobicContact CG2-CG2 4.43Å; Q118-I169 HydrophobicContact CG-CB 4.2Å; Q118-I169 HydrophobicContact CG-CG2 4.38Å; Q118-I169 VanDerWaalsContact OE1-CG2 3.25Å; V130-I169 HydrophobicContact CG1-CD1 4.38Å; L132-I169 HydrophobicContact CB-CD1 4.49Å; L132-I169 HydrophobicContact CD1-CD1 4.26Å; L165-I169 HydrophobicContact CD1-CG2 3.68Å; L165-I169 HydrophobicContact CG-CG2 4.21Å; L165-I169 PolarHBondContact O-N 3.02Å; R167-I169 VanDerWaalsContact C-N 3.34Å; R167-I169 PolarHBondContact O-N 2.8Å; I169-A171 VanDerWaalsContact C-N 3.34Å; I169-A171 HydrophobicContact CD1-CB 4.22Å; I169-A171 HydrophobicContact CG1-CB 3.95Å
170	G	97.3	Very high	98.3	Very high	59 Å²	59	48.8 Å²	48.8	61%	0.608	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	23.2	-177.6	0	0	0	0	0	114.2	A166 R167 Q168	A166-G170 PolarHBondContact O-N 3.26Å; R167-G170 PolarHBondContact O-N 3.41Å; Q168-G170 VanDerWaalsContact C-N 3.28Å; Q168-G170 PolarHBondContact O-N 2.82Å
171	A	98.2	Very high	98.2	Very high	6 Å²	6	49 Å²	49	5%	0.05	25%	0.252	C	S	.	.			trans	-62.6	144.1	174.9	0	0	0	0	0	111.1	V130 L132 A166 I169 A173 R203	V130-A171 HydrophobicContact CB-CB 4.42Å; V130-A171 HydrophobicContact CG1-CB 4.06Å; V130-A171 CarbonylContact O-C 3.58Å; V130-A171 VanDerWaalsContact O-CA 3.3Å; V130-A171 WeakPolarHBondContact O-CA 3.33Å; V130-A171 WeakPolarHBondContact O-CB 3.43Å; L132-A171 HydrophobicContact CB-CB 4.37Å; A166-A171 HydrophobicContact CB-CB 4.05Å; A166-A171 WeakPolarHBondContact O-CB 3.48Å; A166-A171 PolarHBondContact O-N 2.76Å; I169-A171 VanDerWaalsContact C-N 3.34Å; I169-A171 HydrophobicContact CD1-CB 4.22Å; I169-A171 HydrophobicContact CG1-CB 3.95Å; A171-A173 VanDerWaalsContact C-N 3.29Å; A171-R203 PolarHBondContact O-NH2 3.46Å
172	V	97.3	Very high	98.1	Very high	46 Å²	46	46.8 Å²	46.8	28%	0.279	25%	0.246	S	C	.	.	S	Bend	trans	-73.5	-27.3	179.3	-57.8	0	0	0	0	111.8	K129 V130 V131 A196 R203	K129-V172 HydrophobicContact CB-CG1 4.3Å; K129-V172 HydrophobicContact CB-CG2 4.32Å; K129-V172 HydrophobicContact CD-CG1 4.12Å; V130-V172 WeakPolarHBondContact O-CG2 3.3Å; V130-V172 PolarHBondContact O-N 3.07Å; V131-V172 HydrophobicContact CG2-CG2 3.82Å; V172-A196 HydrophobicContact CB-CB 4.47Å; V172-A196 HydrophobicContact CG2-CB 3.61Å; V172-R203 PolarHBondContact O-NH2 3.28Å
173	A	97.8	Very high	98	Very high	25 Å²	25	51.9 Å²	51.9	21%	0.207	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	161.1	177.1	0	0	0	0	0	111.7	V131 L132 A171 V192	V131-A173 HydrophobicContact CG1-CB 4.33Å; L132-A173 PolarHBondContact N-O 2.82Å; L132-A173 VanDerWaalsContact N-O 3.1Å; A171-A173 VanDerWaalsContact C-N 3.29Å; A173-V192 HydrophobicContact CB-CG1 3.49Å; A173-V192 VanDerWaalsContact CB-CG1 3.49Å
174	Y	98.7	Very high	97.9	Very high	32 Å²	32	55.3 Å²	55.3	13%	0.125	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.7	164.7	175.2	-129.3	0	0	0	108.4	F102 L132 H159 T163 A166 E176	F102-Y174 AromaticContact CE1-CE2 3.78Å; F102-Y174 HydrophobicContact CE1-CE2 3.78Å; F102-Y174 AromaticContact CZ-CE2 3.94Å; F102-Y174 HydrophobicContact CZ-CE2 3.94Å; F102-Y174 WeakPolarHBondContact CZ-OH 3.41Å; L132-Y174 HydrophobicContact CB-CD2 4.07Å; L132-Y174 HydrophobicContact CD2-CD2 3.94Å; L132-Y174 HydrophobicContact CD2-CE2 4.3Å; L132-Y174 HydrophobicContact CG-CD2 3.96Å; L132-Y174 HydrophobicContact CG-CE2 4.33Å; L132-Y174 WeakPolarHBondContact O-CA 3.45Å; L132-Y174 WeakPolarHBondContact O-CD2 3.11Å; H159-Y174 AromaticContact CE1-CD1 3.8Å; H159-Y174 AromaticContact CE1-CE1 3.71Å; H159-Y174 AromaticContact ND1-CE1 3.51Å; H159-Y174 WeakPolarHBondContact O-CE1 3.34Å; T163-Y174 WeakPolarHBondContact OG1-CD1 3.48Å; A166-Y174 HydrophobicContact CB-CG 4.39Å; Y174-E176 HydrophobicContact CE1-CG 3.93Å; Y174-E176 HydrophobicContact CE2-CG 4.18Å; Y174-E176 VanDerWaalsContact OH-CG 3.26Å; Y174-E176 WeakPolarHBondContact OH-CG 3.26Å; Y174-E176 PolarHBondContact OH-OE1 3.24Å
175	T	98.7	Very high	97.9	Very high	20 Å²	20	52.9 Å²	52.9	12%	0.123	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	155.9	175	57.9	0	0	0	0	110.4	L132 V133 G134 V192	L132-T175 PolarHBondContact O-N 3.35Å; V133-T175 CarbonylContact C-O 3.57Å; V133-T175 WeakPolarHBondContact CA-O 3.35Å; G134-T175 PolarHBondContact N-O 3.02Å; T175-V192 HydrophobicContact CG2-CB 4.23Å; T175-V192 HydrophobicContact CG2-CG1 4.18Å; T175-V192 HydrophobicContact CG2-CG2 4.17Å
176	E	98.8	Very high	97.8	Very high	33 Å²	33	52.2 Å²	52.2	15%	0.154	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.7	174	-63.4	177.6	173.6	0	0	108.9	I104 G134 L137 R140 H159 Y174	I104-E176 HydrophobicContact CD1-CB 4.3Å; I104-E176 HydrophobicContact CD1-CG 4.14Å; G134-E176 CarbonylContact O-C 3.59Å; G134-E176 VanDerWaalsContact O-CA 3.24Å; G134-E176 WeakPolarHBondContact O-CA 3.47Å; L137-E176 HydrophobicContact CD1-CB 4.33Å; L137-E176 WeakPolarHBondContact CD1-OE2 3.43Å; L137-E176 HydrophobicContact CD2-CB 4.16Å; R140-E176 IonicContact CZ-OE1 3.44Å; R140-E176 IonicContact CZ-OE2 2.95Å; R140-E176 IonicContact NH1-OE1 2.74Å; R140-E176 IonicContact NH1-OE2 3.49Å; R140-E176 PolarHBondContact NH1-OE2 3.5Å; R140-E176 IonicContact NH2-OE1 3.27Å; R140-E176 PolarHBondContact NH2-OE1 3.12Å; R140-E176 IonicContact NH2-OE2 3.67Å; R140-E176 PolarHBondContact NH2-OE2 3.12Å; H159-E176 VanDerWaalsContact CA-OE1 3.3Å; H159-E176 WeakPolarHBondContact CA-OE1 3.44Å; H159-E176 IonicContact CG-OE1 2.68Å; H159-E176 IonicContact ND1-OE1 3.62Å; H159-E176 PolarHBondContact ND1-OE1 2.95Å; H159-E176 IonicContact ND1-OE2 3.21Å; Y174-E176 HydrophobicContact CE1-CG 3.93Å; Y174-E176 HydrophobicContact CE2-CG 4.18Å; Y174-E176 VanDerWaalsContact OH-CG 3.26Å; Y174-E176 WeakPolarHBondContact OH-CG 3.26Å; Y174-E176 PolarHBondContact OH-OE1 3.24Å
177	C	98.7	Very high	97.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	155	179.2	67.4	0	0	0	0	112.6	G134 K136 L137 V189	G134-C177 PolarHBondContact O-N 2.98Å; K136-C177 PolarHBondContact N-O 2.7Å; K136-C177 VanDerWaalsContact N-O 3.1Å; L137-C177 WeakPolarHBondContact CB-O 3.49Å; L137-C177 PolarHBondContact N-O 3.31Å; C177-V189 HydrophobicContact CB-CG2 3.87Å
178	T	98.4	Very high	97.7	Very high	14 Å²	14	54.3 Å²	54.3	9%	0.086	29%	0.285	C	S	.	.			trans	-119.5	99.1	163.8	176.4	0	0	0	0	109.2	D138 K180 F181 S182 S185	D138-T178 WeakPolarHBondContact OD1-CB 3.49Å; D138-T178 PolarHBondContact OD1-OG1 3.43Å; T178-K180 PolarHBondContact O-N 2.98Å; T178-F181 HydrophobicContact CG2-CB 3.98Å; T178-F181 PolarHBondContact O-N 3.21Å; T178-F181 WeakPolarHBondContact OG1-CD2 3.4Å; T178-F181 PolarHBondContact OG1-N 3.47Å; T178-S182 CarbonylContact O-C 3.56Å; T178-S182 PolarHBondContact O-N 3.25Å; T178-S185 PolarHBondContact N-OG 3.1Å; T178-S185 PolarHBondContact O-OG 2.94Å
179	S	98.1	Very high	97.8	Very high	11 Å²	11	48.1 Å²	48.1	8%	0.077	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.3	178	-49.6	0	0	0	0	112.4	L39 V42 Y48	L39-S179 WeakPolarHBondContact CA-OG 3.39Å; L39-S179 PolarHBondContact N-OG 3.11Å; V42-S179 WeakPolarHBondContact CG2-O 3.19Å; Y48-S179 WeakPolarHBondContact CD2-O 3.23Å
180	K	96.8	Very high	97.8	Very high	116 Å²	116	47.2 Å²	47.2	50%	0.504	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-35	-178.2	-171.5	170.5	-178.9	176	0	113.1	Y48 T178	Y48-K180 HydrophobicContact CD2-CB 4.04Å; Y48-K180 HydrophobicContact CD2-CG 4.47Å; Y48-K180 HydrophobicContact CE1-CG 4.49Å; Y48-K180 HydrophobicContact CE2-CB 3.74Å; Y48-K180 HydrophobicContact CE2-CG 4.31Å; T178-K180 PolarHBondContact O-N 2.98Å
181	F	97.1	Very high	97.7	Very high	139 Å²	139	47.7 Å²	47.7	61%	0.61	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.5	-9.2	-168.6	-59.3	-68.3	0	0	0	114.4	D138 T178	D138-F181 HydrophobicContact CB-CD2 3.54Å; D138-F181 HydrophobicContact CB-CE2 3.74Å; D138-F181 WeakPolarHBondContact OD2-CE2 3.29Å; T178-F181 HydrophobicContact CG2-CB 3.98Å; T178-F181 PolarHBondContact O-N 3.21Å; T178-F181 WeakPolarHBondContact OG1-CD2 3.4Å; T178-F181 PolarHBondContact OG1-N 3.47Å
182	S	97.3	Very high	97.6	Very high	38 Å²	38	49.7 Å²	49.7	27%	0.266	25%	0.249	S	C	.	.			trans	-150.1	97.7	-177.7	-175.4	0	0	0	0	112.4	T178 N184 S185 V186	T178-S182 CarbonylContact O-C 3.56Å; T178-S182 PolarHBondContact O-N 3.25Å; S182-N184 PolarHBondContact O-N 2.94Å; S182-S185 WeakPolarHBondContact CB-OG 3.38Å; S182-S185 PolarHBondContact O-N 3.14Å; S182-S185 PolarHBondContact O-OG 2.94Å; S182-S185 PolarHBondContact OG-N 2.59Å; S182-S185 VanDerWaalsContact OG-N 3.17Å; S182-V186 PolarHBondContact O-N 3.35Å
183	E	95.9	Very high	97.6	Very high	106 Å²	106	47.5 Å²	47.5	50%	0.495	24%	0.236	S	C	.	.	H	α-helix	trans	-57.4	-37	169.2	-68.4	171.9	-158.5	0	0	111.7	V42 S185 V186 R187	V42-E183 HydrophobicContact CG1-CG 4.05Å; E183-S185 VanDerWaalsContact C-N 3.34Å; E183-S185 PolarHBondContact O-N 2.99Å; E183-V186 WeakPolarHBondContact O-CA 3.35Å; E183-V186 WeakPolarHBondContact O-CB 3.43Å; E183-V186 PolarHBondContact O-N 3.2Å; E183-V186 VanDerWaalsContact O-N 3.08Å; E183-R187 WeakPolarHBondContact O-CG 3.39Å; E183-R187 PolarHBondContact O-N 2.87Å
184	N	96.9	Very high	97.5	Very high	114 Å²	114	46.3 Å²	46.3	61%	0.61	23%	0.226	S	C	*	.	H	α-helix	trans	-59.7	-44.4	176.2	-71.1	-18.5	0	0	0	111.7	S182 V186 R187 D188	S182-N184 PolarHBondContact O-N 2.94Å; N184-V186 PolarHBondContact O-N 3.44Å; N184-R187 PolarHBondContact O-N 3.21Å; N184-R187 VanDerWaalsContact O-N 3.15Å; N184-D188 VanDerWaalsContact O-CG 3.3Å; N184-D188 PolarHBondContact O-N 2.92Å
185	S	98	Very high	97.3	Very high	17 Å²	17	46.8 Å²	46.8	12%	0.119	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-32.9	176.3	77.8	0	0	0	0	112.5	T178 S182 E183 V189	T178-S185 PolarHBondContact N-OG 3.1Å; T178-S185 PolarHBondContact O-OG 2.94Å; S182-S185 WeakPolarHBondContact CB-OG 3.38Å; S182-S185 PolarHBondContact O-N 3.14Å; S182-S185 PolarHBondContact O-OG 2.94Å; S182-S185 PolarHBondContact OG-N 2.59Å; S182-S185 VanDerWaalsContact OG-N 3.17Å; E183-S185 VanDerWaalsContact C-N 3.34Å; E183-S185 PolarHBondContact O-N 2.99Å; S185-V189 WeakPolarHBondContact O-CG2 3.48Å; S185-V189 PolarHBondContact O-N 3.05Å
186	V	98.3	Very high	97	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-69.7	-48.2	174	167.7	0	0	0	0	110.6	L39 V42 F43 S182 E183 N184 D188 V189 F190	L39-V186 HydrophobicContact CD1-CB 4.22Å; L39-V186 HydrophobicContact CD1-CG1 3.81Å; L39-V186 HydrophobicContact CD1-CG2 3.98Å; V42-V186 HydrophobicContact CB-CG1 4.47Å; V42-V186 HydrophobicContact CB-CG2 4.49Å; V42-V186 HydrophobicContact CG1-CB 4.29Å; V42-V186 HydrophobicContact CG1-CG1 4.2Å; V42-V186 HydrophobicContact CG1-CG2 4.07Å; F43-V186 HydrophobicContact CB-CG1 3.62Å; F43-V186 HydrophobicContact CD2-CG1 4.34Å; F43-V186 HydrophobicContact CG-CG1 4.44Å; S182-V186 PolarHBondContact O-N 3.35Å; E183-V186 WeakPolarHBondContact O-CA 3.35Å; E183-V186 WeakPolarHBondContact O-CB 3.43Å; E183-V186 PolarHBondContact O-N 3.2Å; E183-V186 VanDerWaalsContact O-N 3.08Å; N184-V186 PolarHBondContact O-N 3.44Å; V186-D188 PolarHBondContact O-N 2.99Å; V186-V189 WeakPolarHBondContact O-CB 3.2Å; V186-V189 PolarHBondContact O-N 2.99Å; V186-V189 VanDerWaalsContact O-N 3.11Å; V186-F190 HydrophobicContact CG1-CD2 4.22Å; V186-F190 HydrophobicContact CG1-CE2 4.04Å; V186-F190 VanDerWaalsContact O-CD2 3.31Å; V186-F190 WeakPolarHBondContact O-CD2 3.4Å; V186-F190 PolarHBondContact O-N 3.26Å
187	R	97.1	Very high	96.6	Very high	116 Å²	116	45.9 Å²	45.9	44%	0.438	23%	0.23	S	C	.	.	H	α-helix	trans	-57.7	-38.1	177	-68.3	-179.2	75	92	2.3	111.9	E183 N184 V189 F190 H191	E183-R187 WeakPolarHBondContact O-CG 3.39Å; E183-R187 PolarHBondContact O-N 2.87Å; N184-R187 PolarHBondContact O-N 3.21Å; N184-R187 VanDerWaalsContact O-N 3.15Å; R187-V189 VanDerWaalsContact C-N 3.33Å; R187-V189 PolarHBondContact O-N 2.72Å; R187-F190 PolarHBondContact O-N 3.08Å; R187-H191 WeakPolarHBondContact O-CB 3.42Å; R187-H191 PolarHBondContact O-N 3.18Å
188	D	97.6	Very high	96.2	Very high	98 Å²	98	47.9 Å²	47.9	52%	0.524	24%	0.242	S	C	.	.	H	α-helix	trans	-61.8	-38.6	177.1	-71.5	-18.9	0	0	0	112.4	N184 V186 F190 H191 V192	N184-D188 VanDerWaalsContact O-CG 3.3Å; N184-D188 PolarHBondContact O-N 2.92Å; V186-D188 PolarHBondContact O-N 2.99Å; D188-F190 PolarHBondContact O-N 3.32Å; D188-H191 PolarHBondContact O-N 3.17Å; D188-V192 WeakPolarHBondContact O-CB 3.33Å; D188-V192 WeakPolarHBondContact O-CG2 3.36Å; D188-V192 PolarHBondContact O-N 3.36Å
189	V	98.4	Very high	95.4	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-50	174.6	178.6	0	0	0	0	110.4	L39 L99 V133 C177 S185 V186 R187 T193	L39-V189 HydrophobicContact CD1-CB 4.42Å; L39-V189 HydrophobicContact CD1-CG2 4.32Å; L39-V189 HydrophobicContact CD2-CG1 4.38Å; L99-V189 HydrophobicContact CD1-CG1 4.01Å; L99-V189 HydrophobicContact CD2-CG1 4.37Å; V133-V189 HydrophobicContact CG1-CG1 4.19Å; V133-V189 HydrophobicContact CG1-CG2 4.07Å; V133-V189 HydrophobicContact CG2-CG1 3.83Å; C177-V189 HydrophobicContact CB-CG2 3.87Å; S185-V189 WeakPolarHBondContact O-CG2 3.48Å; S185-V189 PolarHBondContact O-N 3.05Å; V186-V189 WeakPolarHBondContact O-CB 3.2Å; V186-V189 PolarHBondContact O-N 2.99Å; V186-V189 VanDerWaalsContact O-N 3.11Å; R187-V189 VanDerWaalsContact C-N 3.33Å; R187-V189 PolarHBondContact O-N 2.72Å; V189-T193 WeakPolarHBondContact O-CB 3.46Å; V189-T193 PolarHBondContact O-N 3.27Å; V189-T193 VanDerWaalsContact O-N 3.07Å; V189-T193 PolarHBondContact O-OG1 2.68Å
190	F	97.7	Very high	93.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-73.3	-30.7	-178.5	-69.4	-80.9	0	0	0	112.6	I26 L39 L40 F43 L73 M75 L99 V186 R187 D188 T194	I26-F190 HydrophobicContact CD1-CD1 4.15Å; L39-F190 HydrophobicContact CD1-CE2 3.83Å; L39-F190 HydrophobicContact CG-CE2 3.92Å; L39-F190 HydrophobicContact CG-CZ 4.11Å; L40-F190 HydrophobicContact CD2-CE1 4.09Å; L40-F190 HydrophobicContact CD2-CZ 3.81Å; F43-F190 HydrophobicContact CB-CD2 3.72Å; F43-F190 HydrophobicContact CB-CE2 3.39Å; F43-F190 HydrophobicContact CB-CZ 4.05Å; F43-F190 AromaticContact CD1-CD1 3.99Å; F43-F190 HydrophobicContact CD1-CD1 3.99Å; F43-F190 AromaticContact CD1-CD2 3.78Å; F43-F190 HydrophobicContact CD1-CD2 3.78Å; F43-F190 HydrophobicContact CD1-CE1 4.08Å; F43-F190 AromaticContact CD1-CE2 3.88Å; F43-F190 HydrophobicContact CD1-CE2 3.88Å; F43-F190 AromaticContact CD1-CG 3.85Å; F43-F190 HydrophobicContact CD1-CG 3.85Å; F43-F190 HydrophobicContact CD1-CZ 4.04Å; F43-F190 HydrophobicContact CD2-CB 3.96Å; F43-F190 AromaticContact CD2-CD2 3.26Å; F43-F190 HydrophobicContact CD2-CD2 3.26Å; F43-F190 AromaticContact CD2-CE2 3.91Å; F43-F190 HydrophobicContact CD2-CE2 3.91Å; F43-F190 AromaticContact CD2-CG 3.7Å; F43-F190 HydrophobicContact CD2-CG 3.7Å; F43-F190 HydrophobicContact CE1-CB 4.21Å; F43-F190 AromaticContact CE1-CD1 3.94Å; F43-F190 HydrophobicContact CE1-CD1 3.94Å; F43-F190 HydrophobicContact CE1-CD2 4.22Å; F43-F190 HydrophobicContact CE1-CE1 4.41Å; F43-F190 AromaticContact CE1-CG 3.84Å; F43-F190 HydrophobicContact CE1-CG 3.84Å; F43-F190 HydrophobicContact CE2-CB 3.49Å; F43-F190 VanDerWaalsContact CE2-CB 3.49Å; F43-F190 AromaticContact CE2-CD2 3.75Å; F43-F190 HydrophobicContact CE2-CD2 3.75Å; F43-F190 AromaticContact CE2-CG 3.69Å; F43-F190 HydrophobicContact CE2-CG 3.69Å; F43-F190 HydrophobicContact CG-CB 4.49Å; F43-F190 HydrophobicContact CG-CD1 4.33Å; F43-F190 AromaticContact CG-CD2 3.27Å; F43-F190 HydrophobicContact CG-CD2 3.27Å; F43-F190 HydrophobicContact CG-CE1 4.46Å; F43-F190 AromaticContact CG-CE2 3.44Å; F43-F190 HydrophobicContact CG-CE2 3.44Å; F43-F190 VanDerWaalsContact CG-CE2 3.44Å; F43-F190 AromaticContact CG-CG 3.78Å; F43-F190 HydrophobicContact CG-CG 3.78Å; F43-F190 HydrophobicContact CG-CZ 4.05Å; F43-F190 HydrophobicContact CZ-CB 3.63Å; F43-F190 HydrophobicContact CZ-CD1 4.24Å; F43-F190 HydrophobicContact CZ-CD2 4.2Å; F43-F190 AromaticContact CZ-CG 3.76Å; F43-F190 HydrophobicContact CZ-CG 3.76Å; L73-F190 HydrophobicContact CD1-CD1 4.44Å; M75-F190 HydrophobicContact CG-CE1 4.26Å; M75-F190 HydrophobicContact SD-CD1 3.86Å; M75-F190 HydrophobicContact SD-CE1 3.37Å; M75-F190 WeakPolarHBondContact SD-CE1 3.44Å; M75-F190 HydrophobicContact SD-CZ 4.03Å; L99-F190 HydrophobicContact CD1-CE1 4.12Å; L99-F190 HydrophobicContact CD1-CZ 4.31Å; V186-F190 HydrophobicContact CG1-CD2 4.22Å; V186-F190 HydrophobicContact CG1-CE2 4.04Å; V186-F190 VanDerWaalsContact O-CD2 3.31Å; V186-F190 WeakPolarHBondContact O-CD2 3.4Å; V186-F190 PolarHBondContact O-N 3.26Å; R187-F190 PolarHBondContact O-N 3.08Å; D188-F190 PolarHBondContact O-N 3.32Å; F190-T194 VanDerWaalsContact O-CB 3.24Å; F190-T194 WeakPolarHBondContact O-CB 3.37Å; F190-T194 PolarHBondContact O-N 3.13Å; F190-T194 PolarHBondContact O-OG1 3.42Å
191	H	96.6	Very high	91.7	Very high	69 Å²	69	56.1 Å²	56.1	32%	0.319	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-54.3	172.9	-173.2	79	0	0	0	111.5	F64 R187 D188 T193 T194 L195	F64-H191 HydrophobicContact CE1-CB 3.87Å; F64-H191 AromaticContact CE1-ND1 3.57Å; F64-H191 HydrophobicContact CZ-CB 3.77Å; F64-H191 AromaticContact CZ-ND1 3.94Å; R187-H191 WeakPolarHBondContact O-CB 3.42Å; R187-H191 PolarHBondContact O-N 3.18Å; D188-H191 PolarHBondContact O-N 3.17Å; H191-T193 VanDerWaalsContact C-N 3.28Å; H191-T193 PolarHBondContact O-N 2.74Å; H191-T194 PolarHBondContact O-N 2.7Å; H191-L195 VanDerWaalsContact NE2-CD1 3.33Å; H191-L195 WeakPolarHBondContact NE2-CD1 3.47Å; H191-L195 WeakPolarHBondContact O-CB 3.45Å; H191-L195 WeakPolarHBondContact O-CG 3.18Å; H191-L195 PolarHBondContact O-N 3.29Å
192	V	96.4	Very high	88.9	Confident	48 Å²	48	58.1 Å²	58.1	29%	0.291	30%	0.297	S	S	.	.	H	α-helix	trans	-59.3	-41.6	178.5	170	0	0	0	0	111.2	A173 T175 D188 A196	A173-V192 HydrophobicContact CB-CG1 3.49Å; A173-V192 VanDerWaalsContact CB-CG1 3.49Å; T175-V192 HydrophobicContact CG2-CB 4.23Å; T175-V192 HydrophobicContact CG2-CG1 4.18Å; T175-V192 HydrophobicContact CG2-CG2 4.17Å; D188-V192 WeakPolarHBondContact O-CB 3.33Å; D188-V192 WeakPolarHBondContact O-CG2 3.36Å; D188-V192 PolarHBondContact O-N 3.36Å; V192-A196 WeakPolarHBondContact O-CB 3.29Å; V192-A196 PolarHBondContact O-N 3.44Å
193	T	96.8	Very high	86.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67.1	-45.1	-179.4	-56.2	0	0	0	0	111.9	I26 A97 L99 V131 V189 H191 A196 S197	I26-T193 HydrophobicContact CD1-CG2 3.94Å; I26-T193 HydrophobicContact CG1-CG2 4.26Å; I26-T193 HydrophobicContact CG2-CG2 4.4Å; A97-T193 HydrophobicContact CB-CG2 3.53Å; L99-T193 HydrophobicContact CD2-CG2 3.72Å; L99-T193 VanDerWaalsContact CD2-OG1 3.25Å; L99-T193 WeakPolarHBondContact CD2-OG1 3.37Å; V131-T193 HydrophobicContact CG2-CG2 4.38Å; V189-T193 WeakPolarHBondContact O-CB 3.46Å; V189-T193 PolarHBondContact O-N 3.27Å; V189-T193 VanDerWaalsContact O-N 3.07Å; V189-T193 PolarHBondContact O-OG1 2.68Å; H191-T193 VanDerWaalsContact C-N 3.28Å; H191-T193 PolarHBondContact O-N 2.74Å; T193-A196 PolarHBondContact O-N 3.49Å; T193-S197 WeakPolarHBondContact O-CB 3.23Å; T193-S197 PolarHBondContact O-N 3.3Å; T193-S197 VanDerWaalsContact O-N 3.13Å; T193-S197 PolarHBondContact O-OG 2.91Å
194	T	95.4	Very high	83.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-43.8	178.6	-55.8	0	0	0	0	110.6	I66 I71 L73 F190 H191 A196 S197 V198	I66-T194 HydrophobicContact CD1-CG2 3.66Å; I71-T194 HydrophobicContact CB-CG2 4.36Å; I71-T194 HydrophobicContact CD1-CG2 4.23Å; I71-T194 HydrophobicContact CG1-CG2 4.35Å; I71-T194 HydrophobicContact CG2-CG2 4.15Å; L73-T194 HydrophobicContact CD2-CG2 4.16Å; F190-T194 VanDerWaalsContact O-CB 3.24Å; F190-T194 WeakPolarHBondContact O-CB 3.37Å; F190-T194 PolarHBondContact O-N 3.13Å; F190-T194 PolarHBondContact O-OG1 3.42Å; H191-T194 PolarHBondContact O-N 2.7Å; T194-A196 PolarHBondContact O-N 3.05Å; T194-S197 PolarHBondContact O-N 2.97Å; T194-V198 HydrophobicContact CG2-CG2 4.03Å; T194-V198 WeakPolarHBondContact O-CB 3.34Å; T194-V198 PolarHBondContact O-N 3.39Å
195	L	94	Very high	80.5	Confident	42 Å²	42	67.7 Å²	67.7	22%	0.22	34%	0.337	C	S	.	.	H	α-helix	trans	-55	-53.7	173.2	-80.3	-178.3	0	0	0	111.3	I66 H191 S197 F199 I201	I66-L195 HydrophobicContact CD1-CD2 4.04Å; I66-L195 HydrophobicContact CD1-CG 4.05Å; I66-L195 HydrophobicContact CG2-CD2 3.74Å; H191-L195 VanDerWaalsContact NE2-CD1 3.33Å; H191-L195 WeakPolarHBondContact NE2-CD1 3.47Å; H191-L195 WeakPolarHBondContact O-CB 3.45Å; H191-L195 WeakPolarHBondContact O-CG 3.18Å; H191-L195 PolarHBondContact O-N 3.29Å; L195-S197 PolarHBondContact O-N 3.24Å; L195-F199 HydrophobicContact CD2-CD2 3.95Å; L195-F199 HydrophobicContact CD2-CG 4.42Å; L195-F199 CarbonylContact O-C 3.52Å; L195-F199 WeakPolarHBondContact O-CA 3.36Å; L195-F199 WeakPolarHBondContact O-CB 3.47Å; L195-F199 PolarHBondContact O-N 3.37Å; L195-I201 HydrophobicContact CB-CD1 4.3Å
196	A	92.2	Very high	77.9	Confident	13 Å²	13	73.2 Å²	73.2	11%	0.107	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-27.2	-175.5	0	0	0	0	0	114.3	V172 V192 T193 T194	V172-A196 HydrophobicContact CB-CB 4.47Å; V172-A196 HydrophobicContact CG2-CB 3.61Å; V192-A196 WeakPolarHBondContact O-CB 3.29Å; V192-A196 PolarHBondContact O-N 3.44Å; T193-A196 PolarHBondContact O-N 3.49Å; T194-A196 PolarHBondContact O-N 3.05Å
197	S	91.3	Very high	74.9	Confident	21 Å²	21	82.3 Å²	82.3	15%	0.147	41%	0.409	C	S	.	.	H	α-helix	trans	-96.4	-37.3	-171.5	-47.7	0	0	0	0	112.8	A97 T193 T194 L195	A97-S197 WeakPolarHBondContact CB-OG 3.26Å; T193-S197 WeakPolarHBondContact O-CB 3.23Å; T193-S197 PolarHBondContact O-N 3.3Å; T193-S197 VanDerWaalsContact O-N 3.13Å; T193-S197 PolarHBondContact O-OG 2.91Å; T194-S197 PolarHBondContact O-N 2.97Å; L195-S197 PolarHBondContact O-N 3.24Å
198	V	89.4	Confident	72.1	Confident	42 Å²	42	88 Å²	88	26%	0.255	43%	0.431	S	S	.	.	H	α-helix	trans	-96.4	-38.1	-176.4	-179.4	0	0	0	0	111.6	L22 C24 I71 T194	L22-V198 HydrophobicContact CB-CG1 4.42Å; L22-V198 HydrophobicContact CD1-CG1 3.71Å; C24-V198 HydrophobicContact CB-CG2 3.78Å; I71-V198 HydrophobicContact CG2-CG2 4.33Å; T194-V198 HydrophobicContact CG2-CG2 4.03Å; T194-V198 WeakPolarHBondContact O-CB 3.34Å; T194-V198 PolarHBondContact O-N 3.39Å
199	F	82.4	Confident	69.3	Low	65 Å²	65	87.8 Å²	87.8	29%	0.285	44%	0.442	S	S	.	.	S	Bend	trans	-108.8	102.4	-175.9	-58	-85.7	0	0	0	107.5	L22 I66 I71 L195 I201	L22-F199 HydrophobicContact CD1-CZ 4.33Å; I66-F199 HydrophobicContact CB-CE2 4.26Å; I66-F199 HydrophobicContact CD1-CE2 4.3Å; I66-F199 HydrophobicContact CG2-CE2 4.23Å; I71-F199 HydrophobicContact CD1-CE2 4.17Å; I71-F199 HydrophobicContact CD1-CZ 4.32Å; L195-F199 HydrophobicContact CD2-CD2 3.95Å; L195-F199 HydrophobicContact CD2-CG 4.42Å; L195-F199 CarbonylContact O-C 3.52Å; L195-F199 WeakPolarHBondContact O-CA 3.36Å; L195-F199 WeakPolarHBondContact O-CB 3.47Å; L195-F199 PolarHBondContact O-N 3.37Å; F199-I201 VanDerWaalsContact C-N 3.32Å; F199-I201 PolarHBondContact O-N 2.98Å
200	N	63	Low	66.3	Low	135 Å²	135	93.6 Å²	93.6	72%	0.722	48%	0.478	S	S	*	.			trans	-54.5	93.7	179.9	-88.8	-37.4	0	0	0	111.2	Q202	N200-Q202 PolarHBondContact O-N 3.44Å
201	I	53	Low	63.4	Low	113 Å²	113	99.7 Å²	99.7	58%	0.579	52%	0.515	S	S	*	.			trans	-71.5	92.2	166.9	-60	174.8	0	0	0	105	L195 F199 R203	L195-I201 HydrophobicContact CB-CD1 4.3Å; F199-I201 VanDerWaalsContact C-N 3.32Å; F199-I201 PolarHBondContact O-N 2.98Å; I201-R203 VanDerWaalsContact C-N 3.33Å; I201-R203 PolarHBondContact O-N 2.84Å
202	Q	40.2	Very low	60.6	Low	181 Å²	181	107.3 Å²	107.3	85%	0.846	54%	0.541	S	S	*	.			trans	-59.3	103.1	162.9	-69.2	-176	28.8	0	0	106.5	N200	N200-Q202 PolarHBondContact O-N 3.44Å
203	R	42.6	Very low	57.8	Low	167 Å²	167	115.5 Å²	115.5	63%	0.63	57%	0.567	S	S	*	*			trans	-55.7	129.5	165.9	-75.6	-173.4	175.6	-175.6	0.7	106.7	A171 V172 I201 Q205	A171-R203 PolarHBondContact O-NH2 3.46Å; V172-R203 PolarHBondContact O-NH2 3.28Å; I201-R203 VanDerWaalsContact C-N 3.33Å; I201-R203 PolarHBondContact O-N 2.84Å; R203-Q205 PolarHBondContact O-N 3.23Å
204	P	33.4	Very low	54.8	Low	118 Å²	118	121.7 Å²	121.7	77%	0.766	61%	0.605	S	S	*	*			trans	-55.5	113.8	168.3	-18.7	28.9	0	0	0	107.5	V206	P204-V206 PolarHBondContact O-N 3.15Å
205	Q	37.5	Very low	51.9	Low	175 Å²	175	130.6 Å²	130.6	82%	0.818	65%	0.646	S	S	*	*			trans	-59.7	103.8	167.7	-78.3	-88	-17.7	0	0	106.2	R203 K207	R203-Q205 PolarHBondContact O-N 3.23Å; Q205-K207 PolarHBondContact O-N 3.41Å
206	V	42.7	Very low	49.1	Very low	132 Å²	132	138 Å²	138	80%	0.8	68%	0.676	S	S	*	*			trans	-63.3	97.8	165.4	-179.8	0	0	0	0	105.2	P204 R208	P204-V206 PolarHBondContact O-N 3.15Å; V206-R208 PolarHBondContact O-N 2.58Å
207	K	35.1	Very low	46.3	Very low	193 Å²	193	149.2 Å²	149.2	84%	0.839	72%	0.716	S	S	*	*			trans	-55.6	106.3	171.6	-71.3	-177	179.5	178.5	0	106.3	Q205 A209	Q205-K207 PolarHBondContact O-N 3.41Å; K207-A209 PolarHBondContact O-N 3.39Å
208	R	37.6	Very low	43.5	Very low	236 Å²	236	155.6 Å²	155.6	89%	0.891	75%	0.747	S	S	*	*			trans	-56.2	106.8	168.3	-115.3	178.1	165.8	178.9	-4.2	106.3	V206 T210	V206-R208 PolarHBondContact O-N 2.58Å; R208-T210 PolarHBondContact O-N 3.05Å
209	A	39.4	Very low	40.8	Very low	92 Å²	92	158.3 Å²	158.3	76%	0.76	77%	0.768	S	S	*	*			trans	-62	104.2	171.7	0	0	0	0	0	107.3	K207 T211	K207-A209 PolarHBondContact O-N 3.39Å; A209-T211 VanDerWaalsContact C-N 3.35Å; A209-T211 PolarHBondContact O-N 3.27Å
210	T	36.3	Very low	38.5	Very low	124 Å²	124	164.2 Å²	164.2	76%	0.761	80%	0.796	S	S	*	*			trans	-67.5	95.2	170.2	45.1	0	0	0	0	107.9	R208 R212	R208-T210 PolarHBondContact O-N 3.05Å; T210-R212 VanDerWaalsContact C-N 3.3Å; T210-R212 PolarHBondContact O-N 3.24Å
211	T	36.9	Very low	37.1	Very low	127 Å²	127	166.6 Å²	166.6	78%	0.779	80%	0.803	S	S	*	*			trans	-69	92.9	165.4	-3	0	0	0	0	107.5	A209 R213	A209-T211 VanDerWaalsContact C-N 3.35Å; A209-T211 PolarHBondContact O-N 3.27Å; T211-R213 VanDerWaalsContact C-N 3.32Å; T211-R213 PolarHBondContact O-N 2.96Å
212	R	37	Very low	36.3	Very low	229 Å²	229	167 Å²	167	86%	0.864	81%	0.813	S	S	*	*			trans	-65.7	94.8	163.5	-79.1	-175.9	176.7	-173.9	-0.7	107.6	T210 T214	T210-R212 VanDerWaalsContact C-N 3.3Å; T210-R212 PolarHBondContact O-N 3.24Å; R212-T214 PolarHBondContact O-N 2.87Å; R212-T214 VanDerWaalsContact O-N 3.17Å
213	R	37.6	Very low	35.9	Very low	221 Å²	221	164.5 Å²	164.5	83%	0.834	81%	0.812	S	S	*	*			trans	-73.9	96.8	163.4	-80.4	-176	173.9	177.2	-1.2	108.2	T211 H215	T211-R213 VanDerWaalsContact C-N 3.32Å; T211-R213 PolarHBondContact O-N 2.96Å; R213-H215 PolarHBondContact O-N 3.44Å
214	T	33.4	Very low	35.3	Very low	129 Å²	129	167.9 Å²	167.9	79%	0.791	83%	0.825	S	S	*	*			trans	-71.5	109	164.3	41.4	0	0	0	0	108.8	R212 K216	R212-T214 PolarHBondContact O-N 2.87Å; R212-T214 VanDerWaalsContact O-N 3.17Å; T214-K216 PolarHBondContact O-N 3.4Å
215	H	34.7	Very low	35.2	Very low	187 Å²	187	168.7 Å²	168.7	87%	0.866	83%	0.828	S	S	*	*			trans	-68.5	110.7	166	-82.4	-86.7	0	0	0	109.1	R213	R213-H215 PolarHBondContact O-N 3.44Å
216	K	35.4	Very low	34.8	Very low	198 Å²	198	168.4 Å²	168.4	86%	0.861	83%	0.827	S	S	*	*			trans	-110.9	112.1	161.8	-131.2	179.1	-175.6	-178.1	0	108	T214	T214-K216 PolarHBondContact O-N 3.4Å
217	R	33.1	Very low	34.3	Very low	248 Å²	248	168.3 Å²	168.3	94%	0.936	82%	0.82	S	S	*	*			trans	-74.5	119.6	175.3	-129.6	179.3	-179.4	178.4	-0.4	108
218	I	33.6	Very low	34.1	Very low	156 Å²	156	167.2 Å²	167.2	80%	0.8	82%	0.818	S	S	*	*			trans	-137.9	128.2	158.3	-69.3	-173.9	0	0	0	108.6
219	S	32.2	Very low	33.7	Very low	99 Å²	99	163 Å²	163	69%	0.692	81%	0.808	S	S	*	*			trans	-67.7	140.1	175.6	170.5	0	0	0	0	111.7
220	Q	33.7	Very low	33.4	Very low	189 Å²	189	166.5 Å²	166.5	88%	0.883	81%	0.808	S	S	*	*				174.4	146.2	130	-91.5	164.1	29.4	0	0	111.7
221	Q	33.9	Very low	33.8	Very low	185 Å²	185	165.7 Å²	165.7	86%	0.864	81%	0.805	S	S	*	*			trans	-69.2	162.5	-173.3	-75.9	170	-24.5	0	0	114.3
222	P	35.4	Very low	33.9	Very low	121 Å²	121	165.6 Å²	165.6	79%	0.786	81%	0.807	S	S	*	*			trans	-95.2	160.5	-178.5	37.8	-31.8	0	0	0	112.9
223	P	32.2	Very low	33.7	Very low	129 Å²	129	159 Å²	159	84%	0.838	80%	0.801	S	S	*	*			trans	-109.1	148.9	149.8	19.6	-1.3	0	0	0	112.5
224	R	30.5	Very low	33.7	Very low	238 Å²	238	155.9 Å²	155.9	90%	0.898	80%	0.8	S	S	*	*			trans	-76.5	150.9	179.9	-69.7	171.8	165.3	-179.6	-5.7	113.3
225	T	31	Very low	33.7	Very low	135 Å²	135	161.1 Å²	161.1	83%	0.828	81%	0.805	S	S	*	*			trans	-178.2	110.8	133.3	19.6	0	0	0	0	108
226	E	29.4	Very low	33.7	Very low	168 Å²	168	161.4 Å²	161.4	79%	0.785	80%	0.804	S	S	*	*				73.7	109.5	86.9	-80.5	-167.7	-169.4	0	0	117.4
227	I	32	Very low	33.5	Very low	131 Å²	131	159.9 Å²	159.9	67%	0.672	81%	0.805	S	S	*	*			trans	69.3	116.4	136.1	-45.3	161.1	0	0	0	119.8
228	H	30	Very low	33.5	Very low	170 Å²	170	159.5 Å²	159.5	79%	0.787	80%	0.803	S	S	*	*				-178.2	144.6	107.8	-123.5	-70.5	0	0	0	114.4
229	E	29.3	Very low	33.3	Very low	148 Å²	148	157 Å²	157	69%	0.692	81%	0.806	S	S	*	*			trans	-74.3	147.9	-178.6	-61.9	168.6	124.2	0	0	115.9
230	H	33.8	Very low	33.3	Very low	164 Å²	164	162.3 Å²	162.3	76%	0.759	82%	0.817	S	S	*	*				143.3	144.2	120	-84.2	-52.8	0	0	0	115
231	P	44.1	Very low	33	Very low	107 Å²	107	158.5 Å²	158.5	70%	0.695	81%	0.811	S	S	*	*			trans	-93.5	168	-176.2	40.6	-34.5	0	0	0	111.6
232	P	40.6	Very low	32.7	Very low	125 Å²	125	155.8 Å²	155.8	81%	0.812	81%	0.811	S	S	*	*				-161.3	178.8	95.6	39.6	-18	0	0	0	117.9
233	A	31.8	Very low	32.3	Very low	91 Å²	91	156.1 Å²	156.1	75%	0.752	81%	0.811	S	S	*	*			trans	94.6	96.5	139.6	0	0	0	0	0	121.2
234	I	37.1	Very low	32.1	Very low	156 Å²	156	157.8 Å²	157.8	80%	0.8	81%	0.812	S	S	*	*			trans	-14.8	127.5	135.8	-59.6	162.9	0	0	0	115
235	R	34.1	Very low	32.1	Very low	239 Å²	239	158.8 Å²	158.8	90%	0.902	83%	0.83	S	S	*	*			trans	-133.6	122.4	148.8	-98.8	-178	177	167.5	-0.3	110.8
236	K	34.1	Very low	32.2	Very low	192 Å²	192	160 Å²	160	84%	0.835	83%	0.83	S	S	*	*			trans	-72.1	140.1	163	-73.7	172	172.1	174.3	0	108.2
237	D	32.2	Very low	32.3	Very low	166 Å²	166	159.6 Å²	159.6	89%	0.888	83%	0.832	S	S	*	*			trans	-129.7	133.8	155.9	-93.4	-40	0	0	0	112.1
238	R	33.6	Very low	32.4	Very low	240 Å²	240	161.2 Å²	161.2	91%	0.906	84%	0.841	S	S	*	*			trans	-81.9	151.1	-171.6	-87.3	172.5	160.5	174.5	-6.2	112
239	A	27.6	Very low	32.5	Very low	103 Å²	103	160.6 Å²	160.6	85%	0.851	84%	0.844	S	S	*	*			trans	-57.7	149.6	167.4	0	0	0	0	0	113.4
240	K	32.3	Very low	32.7	Very low	211 Å²	211	161.4 Å²	161.4	92%	0.917	85%	0.854	S	S	*	*			trans	-114.2	125.9	164.7	-75.2	-175.3	178.2	178.5	0	110.2
241	S	29	Very low	32.6	Very low	110 Å²	110	161.3 Å²	161.3	77%	0.769	86%	0.86	S	S	*	*			trans	-68.7	152.9	169.3	179.2	0	0	0	0	111.4
242	C	26.3	Very low	31.8	Very low	128 Å²	128	165.1 Å²	165.1	87%	0.865	87%	0.872	S	S	*	*			trans	-136.3	133.4	163.1	-149.7	0	0	0	0	109.5
243	V	27.3	Very low	31.1	Very low	128 Å²	128	168.2 Å²	168.2	78%	0.776	88%	0.877	S	S	*	*			trans	-97.1	138	-174.1	170.1	0	0	0	0	109.1
244	L	27.2	Very low	31.1	Very low	164 Å²	164	174.7 Å²	174.7	86%	0.859	89%	0.887	S	S	*	*			trans	-79.9	139.6	169.4	-86.1	104.3	0	0	0	111
245	M	32.3	Very low	30.5	Very low	259 Å²	259	176.4 Å²	176.4	100%	1.276	90%	0.895	S	S	*	*			trans	-99.9	0	149	-78.2	-171.6	-164.9	0	0	108.6

Retrieved 245 of 245 residues in 67.8 ms (Link to these results)

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