A0A3Q0KE19_SCHMA Loading...

ADP-ribosylation factor

GTP-binding protein involved in protein trafficking; modulates vesicle budding and uncoating within the Golgi apparatus.

AlphaFold DB , UniProt , Accession A0A3Q0KE19, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 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	M	40.5	Very low	48.2	Very low	253 Å²	253	131.4 Å²	131.4	100%	1.246	73%	0.73	S	S	*	*				0	81.2	0	-73.9	-129.7	-74.9	0	0	109.5
2	G	40.4	Very low	48.5	Very low	74 Å²	74	131.7 Å²	131.7	76%	0.763	73%	0.728	S	S	*	*			trans	-129.2	20.1	-169.7	0	0	0	0	0	115.5
3	G	47	Very low	49.2	Very low	64 Å²	64	132.7 Å²	132.7	66%	0.66	72%	0.721	S	S	*	*			trans	-99.7	9.5	-167.6	0	0	0	0	0	117.3
4	V	56.3	Low	50.4	Low	119 Å²	119	128.4 Å²	128.4	72%	0.721	72%	0.723	S	S	*	*	S	Bend	trans	-113.7	-11.7	-169.2	-168.2	0	0	0	0	113.8
5	F	50.1	Low	51.9	Low	174 Å²	174	127.8 Å²	127.8	76%	0.763	71%	0.709	S	S	*	*	H	α-helix	trans	-82.2	-25.8	-174.7	-82.9	-81.9	0	0	0	115.1
6	S	52.8	Low	54	Low	88 Å²	88	125 Å²	125	62%	0.615	69%	0.688	S	S	*	*	H	α-helix	trans	-71	-36.5	-177.1	55.9	0	0	0	0	113.3
7	N	48.3	Very low	56	Low	127 Å²	127	126.5 Å²	126.5	68%	0.679	69%	0.689	S	S	*	*	H	α-helix	trans	-82.3	-20	-175.5	-71.9	-6.2	0	0	0	113.4	S10	N7-S10 PolarHBondContact O-OG 3.47Å; N7-S10 VanDerWaalsContact O-OG 3.09Å
8	L	50.1	Low	58	Low	108 Å²	108	119.6 Å²	119.6	57%	0.565	65%	0.651	S	S	*	*	H	α-helix	trans	-84.3	-32.6	-179.9	-152.7	74.4	0	0	0	112.6	S10 R11	L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 3.23Å; L8-R11 PolarHBondContact O-N 3.3Å
9	F	48.1	Very low	60	Low	131 Å²	131	115.5 Å²	115.5	58%	0.575	63%	0.625	S	S	*	*	H	α-helix	trans	-67.3	-30.5	-178.6	-139.6	-105.3	0	0	0	112.8	R11 L12 F13	F9-R11 VanDerWaalsContact C-N 3.25Å; F9-R11 PolarHBondContact O-N 2.66Å; F9-L12 PolarHBondContact O-N 2.93Å; F9-F13 AromaticContact CD1-CD2 3.86Å; F9-F13 HydrophobicContact CD1-CD2 3.86Å; F9-F13 AromaticContact CD1-CE2 3.71Å; F9-F13 HydrophobicContact CD1-CE2 3.71Å; F9-F13 AromaticContact CE1-CD2 3.81Å; F9-F13 HydrophobicContact CE1-CD2 3.81Å; F9-F13 AromaticContact CE1-CE2 3.16Å; F9-F13 HydrophobicContact CE1-CE2 3.16Å; F9-F13 AromaticContact CE1-CZ 3.98Å; F9-F13 HydrophobicContact CE1-CZ 3.98Å; F9-F13 AromaticContact CZ-CE2 3.73Å; F9-F13 HydrophobicContact CZ-CE2 3.73Å; F9-F13 HydrophobicContact CZ-CZ 4.49Å; F9-F13 PolarHBondContact O-N 3.39Å
10	S	48.8	Very low	61.7	Low	87 Å²	87	109.8 Å²	109.8	61%	0.608	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-21.1	177.2	69.3	0	0	0	0	114.5	N7 L8	N7-S10 PolarHBondContact O-OG 3.47Å; N7-S10 VanDerWaalsContact O-OG 3.09Å; L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 3.23Å
11	R	48.2	Very low	63.4	Low	220 Å²	220	104.6 Å²	104.6	83%	0.83	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-14.5	177.5	-75.4	-176	174.7	172.7	-1.5	113.7	L8 F9	L8-R11 PolarHBondContact O-N 3.3Å; F9-R11 VanDerWaalsContact C-N 3.25Å; F9-R11 PolarHBondContact O-N 2.66Å
12	L	52	Low	66.1	Low	135 Å²	135	92.5 Å²	92.5	71%	0.707	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-21	-178.7	-80.7	163.1	0	0	0	113.2	F9	F9-L12 PolarHBondContact O-N 2.93Å
13	F	57.1	Low	68.8	Low	145 Å²	145	89 Å²	89	64%	0.636	47%	0.47	S	S	*	.	S	Bend	trans	-87.5	115.3	170.5	-84.1	-98.6	0	0	0	109	F9	F9-F13 AromaticContact CD1-CD2 3.86Å; F9-F13 HydrophobicContact CD1-CD2 3.86Å; F9-F13 AromaticContact CD1-CE2 3.71Å; F9-F13 HydrophobicContact CD1-CE2 3.71Å; F9-F13 AromaticContact CE1-CD2 3.81Å; F9-F13 HydrophobicContact CE1-CD2 3.81Å; F9-F13 AromaticContact CE1-CE2 3.16Å; F9-F13 HydrophobicContact CE1-CE2 3.16Å; F9-F13 AromaticContact CE1-CZ 3.98Å; F9-F13 HydrophobicContact CE1-CZ 3.98Å; F9-F13 AromaticContact CZ-CE2 3.73Å; F9-F13 HydrophobicContact CZ-CE2 3.73Å; F9-F13 HydrophobicContact CZ-CZ 4.49Å; F9-F13 PolarHBondContact O-N 3.39Å
14	G	65.4	Low	71.2	Confident	73 Å²	73	86 Å²	86	75%	0.753	44%	0.439	S	S	*	.			trans	-51	154.1	174.6	0	0	0	0	0	111.6	K16	G14-K16 PolarHBondContact O-N 3.37Å
15	K	74.2	Confident	73.1	Confident	119 Å²	119	80.9 Å²	80.9	52%	0.517	41%	0.407	S	S	.	.			trans	-57.4	136	177.9	-64.6	-174.9	178.5	179.7	0	109.4	E17 E57	K15-E17 PolarHBondContact O-N 3.26Å; K15-E57 WeakPolarHBondContact CD-OE2 3.36Å; K15-E57 WeakPolarHBondContact CE-OE2 3.49Å; K15-E57 VanDerWaalsContact NZ-CD 3.27Å; K15-E57 IonicContact NZ-OE1 3.07Å; K15-E57 IonicContact NZ-OE2 3.84Å; K15-E57 PolarHBondContact NZ-OE2 2.89Å
16	K	84.5	Confident	75.3	Confident	83 Å²	83	74.7 Å²	74.7	36%	0.361	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	115	174.8	-176.5	175.6	-178	166.5	0	107.8	G14 V18 N60 I61 S62 L177	G14-K16 PolarHBondContact O-N 3.37Å; K16-V18 HydrophobicContact CD-CG2 4.36Å; K16-V18 HydrophobicContact CG-CG2 4.11Å; K16-N60 PolarHBondContact N-O 2.68Å; K16-I61 WeakPolarHBondContact O-CA 3.34Å; K16-I61 WeakPolarHBondContact O-CG2 3.24Å; K16-S62 PolarHBondContact O-N 2.81Å; K16-L177 PolarHBondContact NZ-O 3.41Å
17	E	88.9	Confident	77.3	Confident	151 Å²	151	73.7 Å²	73.7	71%	0.706	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.1	171.9	-65.4	-176	177.2	0	0	109.3	K15	K15-E17 PolarHBondContact O-N 3.26Å
18	V	92	Very high	79.6	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129.1	178.3	175.4	0	0	0	0	109	K16 I20 I61 S62 F63 T64 Q86 L177	K16-V18 HydrophobicContact CD-CG2 4.36Å; K16-V18 HydrophobicContact CG-CG2 4.11Å; V18-I20 HydrophobicContact CG1-CD1 3.69Å; V18-I20 HydrophobicContact CG1-CG1 4.08Å; V18-I61 HydrophobicContact CB-CG2 3.85Å; V18-I61 HydrophobicContact CG2-CG2 3.56Å; V18-S62 PolarHBondContact N-O 3.34Å; V18-F63 HydrophobicContact CB-CD1 4.04Å; V18-F63 HydrophobicContact CB-CE1 4.34Å; V18-F63 HydrophobicContact CG1-CD1 4.12Å; V18-F63 HydrophobicContact CG1-CE1 4.27Å; V18-F63 CarbonylContact O-C 3.59Å; V18-F63 WeakPolarHBondContact O-CA 3.49Å; V18-T64 PolarHBondContact O-N 3.29Å; V18-Q86 VanDerWaalsContact CA-OE1 3.29Å; V18-Q86 HydrophobicContact CG1-CB 3.9Å; V18-L177 HydrophobicContact CB-CD1 4.49Å; V18-L177 HydrophobicContact CG1-CD1 3.63Å; V18-L177 HydrophobicContact CG1-CD2 4.18Å; V18-L177 HydrophobicContact CG1-CG 4.48Å; V18-L177 HydrophobicContact CG2-CD1 4.34Å
19	R	94.5	Very high	81.9	Confident	43 Å²	43	63.1 Å²	63.1	16%	0.162	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.5	172.6	-172.1	169.5	-179.3	-78.8	-0.7	110.8	Y81 Q83 N84 T85 Q86 G87	R19-Y81 VanDerWaalsContact CZ-O 3.27Å; R19-Y81 PolarHBondContact NH1-O 3.27Å; R19-Y81 PolarHBondContact NH2-O 3.42Å; R19-Q83 PolarHBondContact NH1-O 3.05Å; R19-N84 WeakPolarHBondContact CB-O 3.49Å; R19-N84 WeakPolarHBondContact CD-O 3.47Å; R19-T85 PolarHBondContact NH1-OG1 2.89Å; R19-Q86 PolarHBondContact O-N 2.88Å; R19-G87 PolarHBondContact O-N 2.9Å
20	I	95	Very high	84.2	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.9	177.9	-60.2	-63	0	0	0	109.5	V18 F63 T64 V65 W66 G87 I89 L177	V18-I20 HydrophobicContact CG1-CD1 3.69Å; V18-I20 HydrophobicContact CG1-CG1 4.08Å; I20-F63 HydrophobicContact CD1-CD1 3.99Å; I20-F63 HydrophobicContact CD1-CE1 4.18Å; I20-F63 HydrophobicContact CG1-CB 4.25Å; I20-F63 HydrophobicContact CG1-CD1 3.42Å; I20-F63 VanDerWaalsContact CG1-CD1 3.42Å; I20-F63 HydrophobicContact CG1-CE1 4.1Å; I20-F63 HydrophobicContact CG1-CG 4.23Å; I20-T64 PolarHBondContact N-O 3.12Å; I20-T64 VanDerWaalsContact O-O 3.05Å; I20-V65 HydrophobicContact CB-CG2 4.29Å; I20-V65 WeakPolarHBondContact O-CA 3.33Å; I20-W66 PolarHBondContact O-N 2.91Å; I20-G87 VanDerWaalsContact CA-O 3.3Å; I20-G87 WeakPolarHBondContact CA-O 3.11Å; I20-I89 HydrophobicContact CG2-CB 4.47Å; I20-I89 HydrophobicContact CG2-CD1 3.68Å; I20-I89 HydrophobicContact CG2-CG1 3.7Å; I20-L177 HydrophobicContact CD1-CD1 4.23Å
21	L	96.4	Very high	86.4	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.5	169.7	-179.8	59.3	0	0	0	109	V23 W66 V68 F82 T85 G87 L88 I89 M110	L21-V23 HydrophobicContact CD1-CG1 3.88Å; L21-V23 HydrophobicContact CD2-CG1 4.25Å; L21-V23 HydrophobicContact CG-CG1 3.83Å; L21-W66 HydrophobicContact CD1-CB 3.92Å; L21-V68 HydrophobicContact CD1-CG2 3.76Å; L21-F82 HydrophobicContact CD2-CD1 3.47Å; L21-F82 VanDerWaalsContact CD2-CD1 3.47Å; L21-F82 HydrophobicContact CD2-CE1 3.76Å; L21-T85 HydrophobicContact CB-CG2 3.68Å; L21-G87 PolarHBondContact N-O 3.21Å; L21-L88 HydrophobicContact CB-CD1 4.2Å; L21-L88 HydrophobicContact CD2-CD1 4.21Å; L21-L88 HydrophobicContact CG-CD1 4.15Å; L21-L88 CarbonylContact O-C 3.6Å; L21-L88 WeakPolarHBondContact O-CA 3.41Å; L21-I89 PolarHBondContact O-N 3.22Å; L21-M110 HydrophobicContact CD2-CE 4.19Å
22	M	97.6	Very high	88.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.2	175	-171.8	-178.8	-67.3	0	0	110.3	K30 I33 V65 W66 V68 I89 V91	M22-K30 HydrophobicContact CG-CB 4.2Å; M22-K30 HydrophobicContact CG-CD 4.39Å; M22-K30 HydrophobicContact CG-CG 4.23Å; M22-K30 HydrophobicContact SD-CB 3.94Å; M22-K30 HydrophobicContact SD-CG 4.46Å; M22-I33 HydrophobicContact CE-CB 4.5Å; M22-I33 HydrophobicContact CE-CG2 3.79Å; M22-I33 HydrophobicContact SD-CB 4.38Å; M22-I33 HydrophobicContact SD-CG2 4.3Å; M22-V65 HydrophobicContact CB-CG1 3.73Å; M22-V65 HydrophobicContact CE-CG1 3.88Å; M22-V65 HydrophobicContact SD-CG1 4.5Å; M22-W66 PolarHBondContact N-O 3.43Å; M22-W66 VanDerWaalsContact O-O 3.06Å; M22-V68 PolarHBondContact O-N 3.27Å; M22-I89 WeakPolarHBondContact CA-O 3.43Å; M22-I89 HydrophobicContact CB-CB 4.35Å; M22-I89 HydrophobicContact CE-CB 4.41Å; M22-I89 HydrophobicContact CE-CD1 3.88Å; M22-I89 HydrophobicContact CE-CG2 4.16Å; M22-I89 HydrophobicContact CG-CB 4.14Å; M22-I89 HydrophobicContact CG-CG2 4.11Å; M22-V91 HydrophobicContact CG-CG2 3.87Å; M22-V91 HydrophobicContact SD-CG2 4.14Å
23	V	97	Very high	90.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	174.4	-175	-68.1	0	0	0	0	111	L21 V68 W78 L88 I89 F90 V91 M110	L21-V23 HydrophobicContact CD1-CG1 3.88Å; L21-V23 HydrophobicContact CD2-CG1 4.25Å; L21-V23 HydrophobicContact CG-CG1 3.83Å; V23-V68 HydrophobicContact CG1-CB 4.19Å; V23-V68 HydrophobicContact CG1-CG2 4.23Å; V23-W78 HydrophobicContact CB-CD2 4.31Å; V23-W78 HydrophobicContact CB-CE3 4.43Å; V23-W78 HydrophobicContact CB-CH2 4.35Å; V23-W78 HydrophobicContact CB-CZ2 4.26Å; V23-W78 HydrophobicContact CB-CZ3 4.43Å; V23-W78 HydrophobicContact CG1-CD2 4.12Å; V23-W78 HydrophobicContact CG1-CG 4.25Å; V23-L88 HydrophobicContact CG2-CD1 3.51Å; V23-I89 PolarHBondContact N-O 3.08Å; V23-F90 HydrophobicContact CG2-CD2 3.88Å; V23-F90 HydrophobicContact CG2-CE2 4.44Å; V23-F90 CarbonylContact O-C 3.55Å; V23-F90 WeakPolarHBondContact O-CA 3.39Å; V23-V91 PolarHBondContact O-N 3.38Å; V23-M110 HydrophobicContact CB-CE 4.35Å; V23-M110 HydrophobicContact CB-SD 4.25Å; V23-M110 HydrophobicContact CG1-CE 4.37Å; V23-M110 HydrophobicContact CG2-CE 3.44Å; V23-M110 VanDerWaalsContact CG2-CE 3.44Å; V23-M110 HydrophobicContact CG2-SD 3.54Å; V23-M110 VanDerWaalsContact CG2-SD 3.54Å
24	G	97.4	Very high	92.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.18	C	C	.	.			trans	140.4	169.4	-170.1	0	0	0	0	0	110.2	K30 G70 W78	G24-K30 PolarHBondContact O-NZ 3.32Å; G24-G70 WeakPolarHBondContact O-CA 3.26Å; G24-W78 WeakPolarHBondContact O-CZ2 3.36Å
25	L	97	Very high	93.9	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.063	15%	0.154	C	C	.	.	S	Bend	trans	-60.8	162.4	-176.9	-53.5	-165.5	0	0	0	112.1	A28 K30 R99 E102 A103 E106	L25-A28 VanDerWaalsContact O-CB 3.27Å; L25-A28 WeakPolarHBondContact O-CB 3.29Å; L25-A28 PolarHBondContact O-N 3.46Å; L25-K30 PolarHBondContact O-NZ 3.15Å; L25-R99 HydrophobicContact CD1-CB 3.83Å; L25-E102 HydrophobicContact CD1-CB 4.18Å; L25-E102 HydrophobicContact CD1-CG 4.08Å; L25-E102 HydrophobicContact CD2-CG 4.36Å; L25-A103 HydrophobicContact CD1-CB 3.93Å; L25-A103 HydrophobicContact CG-CB 3.99Å; L25-E106 HydrophobicContact CD2-CG 4.16Å
26	D	95.2	Very high	94.9	Very high	45 Å²	45	27 Å²	27	24%	0.241	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	152.2	168	55.7	-77.3	0	0	0	111.2	A28 G70 Q71 R75 R99	D26-A28 PolarHBondContact O-N 3.29Å; D26-G70 PolarHBondContact N-O 2.89Å; D26-G70 VanDerWaalsContact N-O 3.12Å; D26-Q71 HydrophobicContact CB-CG 4.09Å; D26-R75 IonicContact OD1-NH2 2.88Å; D26-R75 PolarHBondContact OD1-NH2 3.26Å; D26-R99 IonicContact OD1-NH1 3.65Å; D26-R99 PolarHBondContact OD1-NH1 2.88Å; D26-R99 IonicContact OD2-CZ 3.78Å; D26-R99 IonicContact OD2-NH1 3.85Å; D26-R99 PolarHBondContact OD2-NH1 2.83Å; D26-R99 IonicContact OD2-NH2 2.88Å
27	A	95.7	Very high	95.2	Very high	66 Å²	66	24.2 Å²	24.2	55%	0.545	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	1.4	-175.6	0	0	0	0	0	116.7	G29 K127	A27-G29 PolarHBondContact O-N 3.11Å; A27-G29 VanDerWaalsContact O-N 3.14Å; A27-K127 WeakPolarHBondContact O-CE 3.36Å; A27-K127 PolarHBondContact O-NZ 3.17Å
28	A	97.5	Very high	95.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.008	11%	0.112	C	C	.	.	S	Bend	trans	-63.6	-18.3	177.1	0	0	0	0	0	114.6	L25 D26 V91 N126	L25-A28 VanDerWaalsContact O-CB 3.27Å; L25-A28 WeakPolarHBondContact O-CB 3.29Å; L25-A28 PolarHBondContact O-N 3.46Å; D26-A28 PolarHBondContact O-N 3.29Å; A28-V91 HydrophobicContact CB-CB 4.33Å; A28-V91 HydrophobicContact CB-CG1 4.08Å; A28-V91 WeakPolarHBondContact CB-O 3.4Å; A28-V91 WeakPolarHBondContact O-CG1 3.46Å; A28-N126 PolarHBondContact O-ND2 3.24Å
29	G	97	Very high	95.2	Very high	13 Å²	13	25.4 Å²	25.4	13%	0.134	13%	0.134	C	C	.	.	S	Bend	trans	100.5	17.5	175.6	0	0	0	0	0	115.7	A27 T32 I33	A27-G29 PolarHBondContact O-N 3.11Å; A27-G29 VanDerWaalsContact O-N 3.14Å; G29-T32 WeakPolarHBondContact O-CB 3.34Å; G29-T32 PolarHBondContact O-N 2.99Å; G29-I33 WeakPolarHBondContact O-CG1 3.47Å; G29-I33 PolarHBondContact O-N 3.38Å
30	K	96.4	Very high	94.9	Very high	11 Å²	11	25.7 Å²	25.7	5%	0.048	15%	0.15	C	C	.	.	H	α-helix	trans	-53.9	-54.7	179.8	-59.6	-175.6	-61.7	-73.5	0	113.4	M22 G24 L25 T32 I33 L34 D67 V68 V91	M22-K30 HydrophobicContact CG-CB 4.2Å; M22-K30 HydrophobicContact CG-CD 4.39Å; M22-K30 HydrophobicContact CG-CG 4.23Å; M22-K30 HydrophobicContact SD-CB 3.94Å; M22-K30 HydrophobicContact SD-CG 4.46Å; G24-K30 PolarHBondContact O-NZ 3.32Å; L25-K30 PolarHBondContact O-NZ 3.15Å; K30-T32 VanDerWaalsContact C-N 3.29Å; K30-T32 PolarHBondContact O-N 2.96Å; K30-I33 WeakPolarHBondContact O-CB 3.38Å; K30-I33 PolarHBondContact O-N 2.73Å; K30-I33 VanDerWaalsContact O-N 3.11Å; K30-L34 PolarHBondContact O-N 3.15Å; K30-D67 WeakPolarHBondContact CB-OD1 3.47Å; K30-V68 WeakPolarHBondContact CE-O 3.47Å; K30-V91 HydrophobicContact CG-CB 3.77Å; K30-V91 HydrophobicContact CG-CG1 4.39Å; K30-V91 HydrophobicContact CG-CG2 3.76Å
31	T	94.7	Very high	94.5	Very high	16 Å²	16	31 Å²	31	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-36.2	178.9	-45.4	0	0	0	0	112.1	L34 Y35 T45 T48 D67	T31-L34 PolarHBondContact O-N 3.4Å; T31-Y35 HydrophobicContact CG2-CD2 3.74Å; T31-Y35 HydrophobicContact CG2-CE2 3.53Å; T31-Y35 VanDerWaalsContact O-CD2 3.32Å; T31-Y35 WeakPolarHBondContact O-CD2 3.25Å; T31-Y35 PolarHBondContact O-N 2.75Å; T31-T45 HydrophobicContact CG2-CG2 3.68Å; T31-T48 PolarHBondContact OG1-OG1 3.26Å; T31-T48 VanDerWaalsContact OG1-OG1 3.1Å; T31-D67 WeakPolarHBondContact CA-OD2 3.11Å; T31-D67 WeakPolarHBondContact CB-OD2 3.3Å; T31-D67 PolarHBondContact OG1-OD2 3.36Å
32	T	96	Very high	94	Very high	22 Å²	22	34.3 Å²	34.3	14%	0.135	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-44.9	173.4	-48.2	0	0	0	0	111.3	G29 K30 L34 R36 V42 A160	G29-T32 WeakPolarHBondContact O-CB 3.34Å; G29-T32 PolarHBondContact O-N 2.99Å; K30-T32 VanDerWaalsContact C-N 3.29Å; K30-T32 PolarHBondContact O-N 2.96Å; T32-L34 VanDerWaalsContact C-N 3.35Å; T32-R36 WeakPolarHBondContact O-CB 3.26Å; T32-R36 PolarHBondContact O-N 3.41Å; T32-V42 HydrophobicContact CG2-CG1 4.21Å; T32-A160 HydrophobicContact CG2-CB 3.79Å
33	I	96.6	Very high	93.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-46.2	175.4	-68.2	170.5	0	0	0	110.3	M22 G29 K30 Y35 R36 L37 V91 F124 A160 L166	M22-I33 HydrophobicContact CE-CB 4.5Å; M22-I33 HydrophobicContact CE-CG2 3.79Å; M22-I33 HydrophobicContact SD-CB 4.38Å; M22-I33 HydrophobicContact SD-CG2 4.3Å; G29-I33 WeakPolarHBondContact O-CG1 3.47Å; G29-I33 PolarHBondContact O-N 3.38Å; K30-I33 WeakPolarHBondContact O-CB 3.38Å; K30-I33 PolarHBondContact O-N 2.73Å; K30-I33 VanDerWaalsContact O-N 3.11Å; I33-Y35 PolarHBondContact O-N 3.01Å; I33-R36 PolarHBondContact O-N 3.07Å; I33-L37 HydrophobicContact CG2-CD1 3.79Å; I33-L37 HydrophobicContact CG2-CG 4.3Å; I33-L37 WeakPolarHBondContact O-CB 3.49Å; I33-L37 VanDerWaalsContact O-CG 3.3Å; I33-L37 WeakPolarHBondContact O-CG 3.22Å; I33-L37 PolarHBondContact O-N 2.95Å; I33-V91 HydrophobicContact CD1-CG1 3.69Å; I33-V91 HydrophobicContact CD1-CG2 3.99Å; I33-F124 HydrophobicContact CD1-CB 4.45Å; I33-F124 HydrophobicContact CD1-CD2 3.92Å; I33-F124 HydrophobicContact CD1-CG 4.49Å; I33-F124 HydrophobicContact CG2-CD2 4.49Å; I33-F124 HydrophobicContact CG2-CE2 4.18Å; I33-A160 HydrophobicContact CD1-CB 4.47Å; I33-A160 HydrophobicContact CG1-CB 3.52Å; I33-L166 HydrophobicContact CD1-CD2 4.31Å; I33-L166 HydrophobicContact CG1-CD2 3.98Å; I33-L166 HydrophobicContact CG2-CD2 4.04Å
34	L	95.1	Very high	92.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.1	-53.8	179.9	-175.8	60.6	0	0	0	111.6	K30 T31 T32 R36 L37 K38 N52 E54 V56 V65 D67	K30-L34 PolarHBondContact O-N 3.15Å; T31-L34 PolarHBondContact O-N 3.4Å; T32-L34 VanDerWaalsContact C-N 3.35Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 2.99Å; L34-L37 PolarHBondContact O-N 2.76Å; L34-K38 VanDerWaalsContact O-CB 3.26Å; L34-K38 WeakPolarHBondContact O-CB 3.09Å; L34-K38 PolarHBondContact O-N 2.79Å; L34-N52 HydrophobicContact CD2-CB 4.09Å; L34-E54 HydrophobicContact CD1-CB 3.83Å; L34-E54 HydrophobicContact CD1-CG 4.39Å; L34-E54 HydrophobicContact CD2-CB 4.07Å; L34-E54 HydrophobicContact CD2-CG 3.78Å; L34-E54 HydrophobicContact CG-CB 4.05Å; L34-E54 HydrophobicContact CG-CG 4.05Å; L34-V56 HydrophobicContact CD1-CG2 4.19Å; L34-V65 HydrophobicContact CD1-CB 3.65Å; L34-V65 HydrophobicContact CD1-CG1 3.72Å; L34-V65 HydrophobicContact CD1-CG2 4.24Å; L34-D67 HydrophobicContact CD2-CB 3.74Å
35	Y	93.8	Very high	92.1	Very high	52 Å²	52	46.2 Å²	46.2	20%	0.204	27%	0.268	C	S	.	.	H	α-helix	trans	-70	-31.6	179.9	-73.5	-55.6	0	0	0	112.8	T31 I33 L37 K38 L39 V43	T31-Y35 HydrophobicContact CG2-CD2 3.74Å; T31-Y35 HydrophobicContact CG2-CE2 3.53Å; T31-Y35 VanDerWaalsContact O-CD2 3.32Å; T31-Y35 WeakPolarHBondContact O-CD2 3.25Å; T31-Y35 PolarHBondContact O-N 2.75Å; I33-Y35 PolarHBondContact O-N 3.01Å; Y35-L37 VanDerWaalsContact C-N 3.33Å; Y35-L37 PolarHBondContact O-N 3.07Å; Y35-K38 PolarHBondContact O-N 3.33Å; Y35-L39 HydrophobicContact CD1-CD1 3.73Å; Y35-L39 HydrophobicContact CD1-CG 4.28Å; Y35-L39 HydrophobicContact CG-CD1 4.38Å; Y35-L39 WeakPolarHBondContact O-CA 3.41Å; Y35-L39 WeakPolarHBondContact O-CB 3.48Å; Y35-L39 PolarHBondContact O-N 2.94Å; Y35-V43 HydrophobicContact CD2-CB 4.23Å; Y35-V43 HydrophobicContact CG-CB 4.33Å; Y35-V43 HydrophobicContact CG-CG2 4.13Å
36	R	94.1	Very high	91.5	Very high	50 Å²	50	52.2 Å²	52.2	19%	0.189	30%	0.299	C	S	.	.	H	α-helix	trans	-62.5	-42.7	173.7	-168.7	68.5	172.8	163	9.5	111.7	T32 I33 L34 G40 E41 A160 S163 L166	T32-R36 WeakPolarHBondContact O-CB 3.26Å; T32-R36 PolarHBondContact O-N 3.41Å; I33-R36 PolarHBondContact O-N 3.07Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 2.99Å; R36-G40 PolarHBondContact NH1-O 3.12Å; R36-G40 WeakPolarHBondContact O-CA 3.24Å; R36-G40 PolarHBondContact O-N 2.94Å; R36-E41 WeakPolarHBondContact CA-O 3.2Å; R36-A160 VanDerWaalsContact CG-O 3.3Å; R36-A160 WeakPolarHBondContact CG-O 3.45Å; R36-S163 WeakPolarHBondContact CG-OG 3.4Å; R36-S163 VanDerWaalsContact CZ-OG 3.3Å; R36-S163 PolarHBondContact NE-OG 2.78Å; R36-S163 PolarHBondContact NH2-OG 3.14Å; R36-S163 VanDerWaalsContact NH2-OG 3.12Å; R36-L166 HydrophobicContact CB-CD1 4.12Å; R36-L166 HydrophobicContact CG-CD1 3.82Å
37	L	91.6	Very high	91.1	Very high	24 Å²	24	54.4 Å²	54.4	13%	0.126	32%	0.315	C	S	.	.	H	α-helix	trans	-71.4	-36.5	177.1	-70.8	174.7	0	0	0	112.5	I33 L34 Y35 V56 L166 F167 L170	I33-L37 HydrophobicContact CG2-CD1 3.79Å; I33-L37 HydrophobicContact CG2-CG 4.3Å; I33-L37 WeakPolarHBondContact O-CB 3.49Å; I33-L37 VanDerWaalsContact O-CG 3.3Å; I33-L37 WeakPolarHBondContact O-CG 3.22Å; I33-L37 PolarHBondContact O-N 2.95Å; L34-L37 PolarHBondContact O-N 2.76Å; Y35-L37 VanDerWaalsContact C-N 3.33Å; Y35-L37 PolarHBondContact O-N 3.07Å; L37-V56 HydrophobicContact CB-CG1 3.83Å; L37-V56 HydrophobicContact CB-CG2 4Å; L37-L166 HydrophobicContact CD2-CB 4.12Å; L37-L166 HydrophobicContact CD2-CD1 4.32Å; L37-L166 HydrophobicContact CG-CD1 4.45Å; L37-F167 HydrophobicContact CD2-CD1 4.49Å; L37-F167 HydrophobicContact CD2-CE1 4.15Å; L37-L170 HydrophobicContact CD1-CD1 3.97Å; L37-L170 HydrophobicContact CD1-CD2 4.48Å; L37-L170 HydrophobicContact CD2-CD1 3.51Å; L37-L170 HydrophobicContact CD2-CG 4.44Å; L37-L170 HydrophobicContact CG-CD1 4.33Å
38	K	90.8	Very high	90.6	Very high	87 Å²	87	52.2 Å²	52.2	38%	0.378	30%	0.295	S	S	.	.	H	α-helix	trans	-78.1	-45.2	-176.8	179	58.1	171.2	179.8	0	113.4	L34 Y35 T55 V56	L34-K38 VanDerWaalsContact O-CB 3.26Å; L34-K38 WeakPolarHBondContact O-CB 3.09Å; L34-K38 PolarHBondContact O-N 2.79Å; Y35-K38 PolarHBondContact O-N 3.33Å; K38-T55 VanDerWaalsContact CD-O 3.28Å; K38-T55 WeakPolarHBondContact CD-O 3.25Å; K38-T55 WeakPolarHBondContact CE-O 3.14Å; K38-T55 PolarHBondContact NZ-O 3.41Å; K38-V56 HydrophobicContact CB-CG2 4.36Å
39	L	90.7	Very high	89.8	Confident	90 Å²	90	59.7 Å²	59.7	47%	0.471	33%	0.333	S	S	.	.	H	α-helix	trans	-111	-16.4	-168.8	-55.3	176.4	0	0	0	112.7	Y35 E41 V43	Y35-L39 HydrophobicContact CD1-CD1 3.73Å; Y35-L39 HydrophobicContact CD1-CG 4.28Å; Y35-L39 HydrophobicContact CG-CD1 4.38Å; Y35-L39 WeakPolarHBondContact O-CA 3.41Å; Y35-L39 WeakPolarHBondContact O-CB 3.48Å; Y35-L39 PolarHBondContact O-N 2.94Å; L39-E41 HydrophobicContact CB-CG 3.85Å; L39-E41 PolarHBondContact O-N 3.28Å; L39-V43 HydrophobicContact CD1-CG2 4Å
40	G	87.8	Confident	89.3	Confident	49 Å²	49	60 Å²	60	51%	0.505	34%	0.337	S	S	.	.	S	Bend	trans	75.3	3.8	-174.4	0	0	0	0	0	114.1	R36	R36-G40 PolarHBondContact NH1-O 3.12Å; R36-G40 WeakPolarHBondContact O-CA 3.24Å; R36-G40 PolarHBondContact O-N 2.94Å
41	E	85.9	Confident	88.9	Confident	113 Å²	113	64 Å²	64	53%	0.528	35%	0.354	S	S	.	.	S	Bend	trans	-124.9	163.7	-177.6	67.2	-175.9	172.2	0	0	112.4	R36 L39 V43	R36-E41 WeakPolarHBondContact CA-O 3.2Å; L39-E41 HydrophobicContact CB-CG 3.85Å; L39-E41 PolarHBondContact O-N 3.28Å; E41-V43 HydrophobicContact CG-CG2 4.33Å
42	V	85.6	Confident	88.6	Confident	70 Å²	70	65.3 Å²	65.3	42%	0.424	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-93.8	117.8	176	-177.3	0	0	0	0	108.2	T32 T161	T32-V42 HydrophobicContact CG2-CG1 4.21Å; V42-T161 HydrophobicContact CG1-CG2 4.33Å; V42-T161 WeakPolarHBondContact CG2-O 3.43Å
43	V	85	Confident	88.3	Confident	48 Å²	48	66.9 Å²	66.9	29%	0.291	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-99.5	135.3	175.9	-177.5	0	0	0	0	109.1	Y35 L39 E41 T45	Y35-V43 HydrophobicContact CD2-CB 4.23Å; Y35-V43 HydrophobicContact CG-CB 4.33Å; Y35-V43 HydrophobicContact CG-CG2 4.13Å; L39-V43 HydrophobicContact CD1-CG2 4Å; E41-V43 HydrophobicContact CG-CG2 4.33Å; V43-T45 WeakPolarHBondContact O-CG2 3.5Å; V43-T45 PolarHBondContact O-N 2.82Å
44	T	83.9	Confident	88.1	Confident	143 Å²	143	69.5 Å²	69.5	88%	0.877	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-64.6	123.3	171.5	-56.2	0	0	0	0	109.6
45	T	84.8	Confident	88	Confident	59 Å²	59	72 Å²	72	36%	0.362	40%	0.397	S	S	.	.			trans	-108.8	144.1	-175.2	61.8	0	0	0	0	111.9	T31 V43	T31-T45 HydrophobicContact CG2-CG2 3.68Å; V43-T45 WeakPolarHBondContact O-CG2 3.5Å; V43-T45 PolarHBondContact O-N 2.82Å
46	I	84.2	Confident	87.8	Confident	138 Å²	138	69.6 Å²	69.6	71%	0.708	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-99.5	162.6	161.6	58.3	168.7	0	0	0	109.7	T48	I46-T48 PolarHBondContact O-N 3.49Å
47	P	86.2	Confident	87.5	Confident	91 Å²	91	71.4 Å²	71.4	59%	0.591	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-53.9	123.5	173.6	-26.7	35.5	0	0	0	111.9	I49	P47-I49 PolarHBondContact O-N 3.13Å
48	T	84	Confident	87.3	Confident	20 Å²	20	72.2 Å²	72.2	12%	0.123	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-63.1	122.8	179.8	-50	0	0	0	0	110.8	T31 I46 N52	T31-T48 PolarHBondContact OG1-OG1 3.26Å; T31-T48 VanDerWaalsContact OG1-OG1 3.1Å; I46-T48 PolarHBondContact O-N 3.49Å; T48-N52 WeakPolarHBondContact CG2-ND2 3.39Å
49	I	81.3	Confident	87	Confident	158 Å²	158	75.6 Å²	75.6	81%	0.81	41%	0.411	S	S	*	.	S	Bend	trans	-95.3	94.9	173.8	-54.6	176.4	0	0	0	106.9	P47	P47-I49 PolarHBondContact O-N 3.13Å
50	G	86.3	Confident	86.5	Confident	20 Å²	20	76.5 Å²	76.5	21%	0.206	42%	0.416	C	S	.	.	S	Bend	trans	95.5	-108.8	-175.3	0	0	0	0	0	111.8	G69	G50-G69 PolarHBondContact O-N 3.17Å
51	F	88.9	Confident	86.3	Confident	93 Å²	93	74.3 Å²	74.3	41%	0.408	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	156.1	-173.7	68.3	-79.5	0	0	0	113	V53 W66 D67 V68 Y81	F51-V53 HydrophobicContact CD2-CG2 3.51Å; F51-V53 HydrophobicContact CE2-CG2 3.55Å; F51-W66 AromaticContact CD2-CE3 3.69Å; F51-W66 HydrophobicContact CD2-CE3 3.69Å; F51-W66 AromaticContact CD2-CZ3 3.71Å; F51-W66 HydrophobicContact CD2-CZ3 3.71Å; F51-W66 AromaticContact CE2-CE3 3.95Å; F51-W66 HydrophobicContact CE2-CE3 3.95Å; F51-W66 HydrophobicContact CE2-CH2 4.39Å; F51-W66 AromaticContact CE2-CZ3 3.45Å; F51-W66 HydrophobicContact CE2-CZ3 3.45Å; F51-W66 VanDerWaalsContact CE2-CZ3 3.45Å; F51-W66 HydrophobicContact CG-CE3 4.46Å; F51-W66 HydrophobicContact CZ-CZ3 4.14Å; F51-D67 CarbonylContact C-O 3.47Å; F51-D67 WeakPolarHBondContact CA-O 3.32Å; F51-V68 HydrophobicContact CB-CG2 4.47Å; F51-Y81 HydrophobicContact CB-CE1 4.42Å; F51-Y81 HydrophobicContact CD1-CE1 4Å; F51-Y81 AromaticContact CD1-CZ 3.73Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.46Å; F51-Y81 HydrophobicContact CD2-CE1 4.28Å; F51-Y81 HydrophobicContact CE1-CE1 4.31Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.35Å; F51-Y81 AromaticContact CG-CE1 3.97Å; F51-Y81 HydrophobicContact CG-CE1 3.97Å; F51-Y81 AromaticContact CG-CZ 3.94Å
52	N	87.2	Confident	86.4	Confident	45 Å²	45	69.4 Å²	69.4	24%	0.241	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145.8	164.9	-56.3	-58.7	0	0	0	109	L34 T48 D67	L34-N52 HydrophobicContact CD2-CB 4.09Å; T48-N52 WeakPolarHBondContact CG2-ND2 3.39Å; N52-D67 HydrophobicContact CB-CB 4.29Å; N52-D67 PolarHBondContact N-O 3.47Å; N52-D67 PolarHBondContact ND2-OD2 2.97Å; N52-D67 VanDerWaalsContact ND2-OD2 3.09Å; N52-D67 PolarHBondContact O-N 3.43Å
53	V	90.5	Very high	86.5	Confident	55 Å²	55	66.1 Å²	66.1	33%	0.333	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.9	172.2	-171.5	0	0	0	0	108.8	F51 T64 V65 W66	F51-V53 HydrophobicContact CD2-CG2 3.51Å; F51-V53 HydrophobicContact CE2-CG2 3.55Å; V53-T64 HydrophobicContact CG1-CG2 3.6Å; V53-V65 WeakPolarHBondContact CA-O 3.19Å; V53-W66 HydrophobicContact CG1-CD2 4.4Å; V53-W66 HydrophobicContact CG1-CZ2 4.46Å; V53-W66 HydrophobicContact CG2-CD2 3.63Å; V53-W66 HydrophobicContact CG2-CE3 3.37Å; V53-W66 HydrophobicContact CG2-CG 4.33Å; V53-W66 HydrophobicContact CG2-CH2 3.92Å; V53-W66 HydrophobicContact CG2-CZ2 4.13Å; V53-W66 HydrophobicContact CG2-CZ3 3.54Å
54	E	92.5	Very high	86.7	Confident	55 Å²	55	65.6 Å²	65.6	26%	0.257	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.6	175.9	-65	-69.2	171.4	0	0	110.3	L34 V65	L34-E54 HydrophobicContact CD1-CB 3.83Å; L34-E54 HydrophobicContact CD1-CG 4.39Å; L34-E54 HydrophobicContact CD2-CB 4.07Å; L34-E54 HydrophobicContact CD2-CG 3.78Å; L34-E54 HydrophobicContact CG-CB 4.05Å; L34-E54 HydrophobicContact CG-CG 4.05Å; E54-V65 PolarHBondContact N-O 3.27Å; E54-V65 VanDerWaalsContact N-O 3.16Å; E54-V65 PolarHBondContact O-N 3.09Å
55	T	92.1	Very high	86.9	Confident	51 Å²	51	59 Å²	59	31%	0.313	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114	171.2	-62	0	0	0	0	109.7	K38 S62 F63	K38-T55 VanDerWaalsContact CD-O 3.28Å; K38-T55 WeakPolarHBondContact CD-O 3.25Å; K38-T55 WeakPolarHBondContact CE-O 3.14Å; K38-T55 PolarHBondContact NZ-O 3.41Å; T55-S62 WeakPolarHBondContact CG2-OG 3.39Å; T55-F63 CarbonylContact C-O 3.59Å; T55-F63 WeakPolarHBondContact CA-O 3.48Å
56	V	90.5	Very high	87.2	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.2	174.5	175.9	0	0	0	0	109	L34 L37 K38 F63 V65	L34-V56 HydrophobicContact CD1-CG2 4.19Å; L37-V56 HydrophobicContact CB-CG1 3.83Å; L37-V56 HydrophobicContact CB-CG2 4Å; K38-V56 HydrophobicContact CB-CG2 4.36Å; V56-F63 HydrophobicContact CB-CB 4.35Å; V56-F63 PolarHBondContact N-O 3.46Å; V56-F63 PolarHBondContact O-N 3.02Å; V56-V65 HydrophobicContact CG2-CG2 4.28Å
57	E	88.2	Confident	87.2	Confident	88 Å²	88	52.3 Å²	52.3	41%	0.411	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.2	177.8	-67.7	-66.6	163	0	0	109.6	K15 S62	K15-E57 WeakPolarHBondContact CD-OE2 3.36Å; K15-E57 WeakPolarHBondContact CE-OE2 3.49Å; K15-E57 VanDerWaalsContact NZ-CD 3.27Å; K15-E57 IonicContact NZ-OE1 3.07Å; K15-E57 IonicContact NZ-OE2 3.84Å; K15-E57 PolarHBondContact NZ-OE2 2.89Å; E57-S62 WeakPolarHBondContact OE1-CB 3.22Å; E57-S62 PolarHBondContact OE1-OG 3.38Å
58	Y	87.4	Confident	87.3	Confident	40 Å²	40	48 Å²	48	16%	0.157	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	122.4	178.1	-171.2	-107.3	0	0	0	111.5	N60 I61 F63 F167 L170 D171	Y58-N60 PolarHBondContact O-N 2.83Å; Y58-I61 PolarHBondContact N-O 2.97Å; Y58-I61 PolarHBondContact O-N 3.37Å; Y58-F63 HydrophobicContact CD1-CE2 4.34Å; Y58-F167 HydrophobicContact CD2-CD1 4.09Å; Y58-F167 HydrophobicContact CD2-CE1 4.36Å; Y58-F167 AromaticContact CE2-CD1 3.43Å; Y58-F167 HydrophobicContact CE2-CD1 3.43Å; Y58-F167 VanDerWaalsContact CE2-CD1 3.43Å; Y58-F167 HydrophobicContact CE2-CE1 4.04Å; Y58-F167 HydrophobicContact CE2-CG 4.38Å; Y58-L170 HydrophobicContact CD1-CB 3.87Å; Y58-L170 HydrophobicContact CD1-CD1 4.29Å; Y58-L170 HydrophobicContact CD2-CD1 4.42Å; Y58-L170 HydrophobicContact CE1-CB 3.82Å; Y58-L170 HydrophobicContact CG-CD1 4.13Å; Y58-D171 WeakPolarHBondContact CE1-OD1 3.17Å; Y58-D171 PolarHBondContact OH-OD1 3.11Å
59	R	83.9	Confident	87.4	Confident	159 Å²	159	47.2 Å²	47.2	60%	0.6	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	-120.5	-171.1	-58.9	178.9	176.9	-121.2	-2	111.1	D171	R59-D171 IonicContact CZ-OD1 2.63Å; R59-D171 IonicContact CZ-OD2 2.7Å; R59-D171 IonicContact NE-OD1 3.49Å; R59-D171 PolarHBondContact NE-OD1 3.09Å; R59-D171 IonicContact NH2-OD1 2.71Å; R59-D171 PolarHBondContact NH2-OD1 3.19Å; R59-D171 IonicContact NH2-OD2 3.64Å; R59-D171 PolarHBondContact NH2-OD2 2.87Å
60	N	79.8	Confident	87.8	Confident	109 Å²	109	39.8 Å²	39.8	58%	0.583	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	13.6	178.2	64.7	-40.7	0	0	0	112.9	K16 Y58	K16-N60 PolarHBondContact N-O 2.68Å; Y58-N60 PolarHBondContact O-N 2.83Å
61	I	83.8	Confident	88	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.7	-177.9	-54.2	-169.1	0	0	0	110.1	K16 V18 Y58 F63 C174 L177	K16-I61 WeakPolarHBondContact O-CA 3.34Å; K16-I61 WeakPolarHBondContact O-CG2 3.24Å; V18-I61 HydrophobicContact CB-CG2 3.85Å; V18-I61 HydrophobicContact CG2-CG2 3.56Å; Y58-I61 PolarHBondContact N-O 2.97Å; Y58-I61 PolarHBondContact O-N 3.37Å; I61-F63 HydrophobicContact CB-CE1 4.43Å; I61-F63 HydrophobicContact CB-CE2 4.1Å; I61-F63 HydrophobicContact CB-CZ 4.06Å; I61-F63 HydrophobicContact CD1-CZ 4.32Å; I61-F63 HydrophobicContact CG2-CD1 3.74Å; I61-F63 HydrophobicContact CG2-CD2 4.15Å; I61-F63 HydrophobicContact CG2-CE1 3.55Å; I61-F63 HydrophobicContact CG2-CE2 3.95Å; I61-F63 HydrophobicContact CG2-CG 4.07Å; I61-F63 HydrophobicContact CG2-CZ 3.68Å; I61-C174 HydrophobicContact CD1-CB 3.95Å; I61-L177 HydrophobicContact CD1-CB 4.47Å
62	S	87.4	Confident	88.1	Confident	10 Å²	10	43.1 Å²	43.1	7%	0.07	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	107.6	170.1	-166.8	0	0	0	0	108	K16 V18 T55 E57	K16-S62 PolarHBondContact O-N 2.81Å; V18-S62 PolarHBondContact N-O 3.34Å; T55-S62 WeakPolarHBondContact CG2-OG 3.39Å; E57-S62 WeakPolarHBondContact OE1-CB 3.22Å; E57-S62 PolarHBondContact OE1-OG 3.38Å
63	F	88.4	Confident	88.3	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	110.8	-178.7	-65.3	-71.2	0	0	0	110	V18 I20 T55 V56 Y58 I61 V65 L170 C174 L177	V18-F63 HydrophobicContact CB-CD1 4.04Å; V18-F63 HydrophobicContact CB-CE1 4.34Å; V18-F63 HydrophobicContact CG1-CD1 4.12Å; V18-F63 HydrophobicContact CG1-CE1 4.27Å; V18-F63 CarbonylContact O-C 3.59Å; V18-F63 WeakPolarHBondContact O-CA 3.49Å; I20-F63 HydrophobicContact CD1-CD1 3.99Å; I20-F63 HydrophobicContact CD1-CE1 4.18Å; I20-F63 HydrophobicContact CG1-CB 4.25Å; I20-F63 HydrophobicContact CG1-CD1 3.42Å; I20-F63 VanDerWaalsContact CG1-CD1 3.42Å; I20-F63 HydrophobicContact CG1-CE1 4.1Å; I20-F63 HydrophobicContact CG1-CG 4.23Å; T55-F63 CarbonylContact C-O 3.59Å; T55-F63 WeakPolarHBondContact CA-O 3.48Å; V56-F63 HydrophobicContact CB-CB 4.35Å; V56-F63 PolarHBondContact N-O 3.46Å; V56-F63 PolarHBondContact O-N 3.02Å; Y58-F63 HydrophobicContact CD1-CE2 4.34Å; I61-F63 HydrophobicContact CB-CE1 4.43Å; I61-F63 HydrophobicContact CB-CE2 4.1Å; I61-F63 HydrophobicContact CB-CZ 4.06Å; I61-F63 HydrophobicContact CD1-CZ 4.32Å; I61-F63 HydrophobicContact CG2-CD1 3.74Å; I61-F63 HydrophobicContact CG2-CD2 4.15Å; I61-F63 HydrophobicContact CG2-CE1 3.55Å; I61-F63 HydrophobicContact CG2-CE2 3.95Å; I61-F63 HydrophobicContact CG2-CG 4.07Å; I61-F63 HydrophobicContact CG2-CZ 3.68Å; F63-V65 HydrophobicContact CB-CG2 4.05Å; F63-V65 PolarHBondContact O-N 3.38Å; F63-L170 HydrophobicContact CE2-CD2 4.41Å; F63-C174 VanDerWaalsContact CZ-SG 3.54Å; F63-L177 HydrophobicContact CE1-CD1 3.79Å
64	T	89.2	Confident	88.4	Confident	37 Å²	37	49.4 Å²	49.4	23%	0.227	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	103.2	166.1	-53.5	0	0	0	0	108.3	V18 I20 V53	V18-T64 PolarHBondContact O-N 3.29Å; I20-T64 PolarHBondContact N-O 3.12Å; I20-T64 VanDerWaalsContact O-O 3.05Å; V53-T64 HydrophobicContact CG1-CG2 3.6Å
65	V	88.8	Confident	88.4	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.6	-175.4	-176.4	0	0	0	0	110	I20 M22 L34 V53 E54 V56 F63	I20-V65 HydrophobicContact CB-CG2 4.29Å; I20-V65 WeakPolarHBondContact O-CA 3.33Å; M22-V65 HydrophobicContact CB-CG1 3.73Å; M22-V65 HydrophobicContact CE-CG1 3.88Å; M22-V65 HydrophobicContact SD-CG1 4.5Å; L34-V65 HydrophobicContact CD1-CB 3.65Å; L34-V65 HydrophobicContact CD1-CG1 3.72Å; L34-V65 HydrophobicContact CD1-CG2 4.24Å; V53-V65 WeakPolarHBondContact CA-O 3.19Å; E54-V65 PolarHBondContact N-O 3.27Å; E54-V65 VanDerWaalsContact N-O 3.16Å; E54-V65 PolarHBondContact O-N 3.09Å; V56-V65 HydrophobicContact CG2-CG2 4.28Å; F63-V65 HydrophobicContact CB-CG2 4.05Å; F63-V65 PolarHBondContact O-N 3.38Å
66	W	90.7	Very high	88.4	Confident	55 Å²	55	47.9 Å²	47.9	21%	0.208	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	100.9	171.4	-65	73.6	0	0	0	109	I20 L21 M22 F51 V53 Y81	I20-W66 PolarHBondContact O-N 2.91Å; L21-W66 HydrophobicContact CD1-CB 3.92Å; M22-W66 PolarHBondContact N-O 3.43Å; M22-W66 VanDerWaalsContact O-O 3.06Å; F51-W66 AromaticContact CD2-CE3 3.69Å; F51-W66 HydrophobicContact CD2-CE3 3.69Å; F51-W66 AromaticContact CD2-CZ3 3.71Å; F51-W66 HydrophobicContact CD2-CZ3 3.71Å; F51-W66 AromaticContact CE2-CE3 3.95Å; F51-W66 HydrophobicContact CE2-CE3 3.95Å; F51-W66 HydrophobicContact CE2-CH2 4.39Å; F51-W66 AromaticContact CE2-CZ3 3.45Å; F51-W66 HydrophobicContact CE2-CZ3 3.45Å; F51-W66 VanDerWaalsContact CE2-CZ3 3.45Å; F51-W66 HydrophobicContact CG-CE3 4.46Å; F51-W66 HydrophobicContact CZ-CZ3 4.14Å; V53-W66 HydrophobicContact CG1-CD2 4.4Å; V53-W66 HydrophobicContact CG1-CZ2 4.46Å; V53-W66 HydrophobicContact CG2-CD2 3.63Å; V53-W66 HydrophobicContact CG2-CE3 3.37Å; V53-W66 HydrophobicContact CG2-CG 4.33Å; V53-W66 HydrophobicContact CG2-CH2 3.92Å; V53-W66 HydrophobicContact CG2-CZ2 4.13Å; V53-W66 HydrophobicContact CG2-CZ3 3.54Å; W66-Y81 HydrophobicContact CD2-CD1 4.09Å; W66-Y81 AromaticContact CE3-CD1 3.29Å; W66-Y81 HydrophobicContact CE3-CD1 3.29Å; W66-Y81 AromaticContact CE3-CE1 3.54Å; W66-Y81 HydrophobicContact CE3-CE1 3.54Å; W66-Y81 HydrophobicContact CE3-CG 4.39Å; W66-Y81 AromaticContact CZ3-CD1 3.64Å; W66-Y81 HydrophobicContact CZ3-CD1 3.64Å; W66-Y81 AromaticContact CZ3-CE1 3.58Å; W66-Y81 HydrophobicContact CZ3-CE1 3.58Å
67	D	85.2	Confident	88.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	108.3	172.4	165.7	40.2	0	0	0	108.9	K30 T31 L34 F51 N52	K30-D67 WeakPolarHBondContact CB-OD1 3.47Å; T31-D67 WeakPolarHBondContact CA-OD2 3.11Å; T31-D67 WeakPolarHBondContact CB-OD2 3.3Å; T31-D67 PolarHBondContact OG1-OD2 3.36Å; L34-D67 HydrophobicContact CD2-CB 3.74Å; F51-D67 CarbonylContact C-O 3.47Å; F51-D67 WeakPolarHBondContact CA-O 3.32Å; N52-D67 HydrophobicContact CB-CB 4.29Å; N52-D67 PolarHBondContact N-O 3.47Å; N52-D67 PolarHBondContact ND2-OD2 2.97Å; N52-D67 VanDerWaalsContact ND2-OD2 3.09Å; N52-D67 PolarHBondContact O-N 3.43Å
68	V	86.5	Confident	88.6	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	137.3	-175.9	-165.2	0	0	0	0	110.3	L21 M22 V23 K30 F51 G70 W78 Y81	L21-V68 HydrophobicContact CD1-CG2 3.76Å; M22-V68 PolarHBondContact O-N 3.27Å; V23-V68 HydrophobicContact CG1-CB 4.19Å; V23-V68 HydrophobicContact CG1-CG2 4.23Å; K30-V68 WeakPolarHBondContact CE-O 3.47Å; F51-V68 HydrophobicContact CB-CG2 4.47Å; V68-G70 PolarHBondContact O-N 3.4Å; V68-W78 HydrophobicContact CG1-CG 4.48Å; V68-Y81 HydrophobicContact CG1-CD2 4.1Å; V68-Y81 HydrophobicContact CG1-CE2 3.84Å; V68-Y81 HydrophobicContact CG2-CD2 3.78Å; V68-Y81 HydrophobicContact CG2-CE2 4.14Å; V68-Y81 HydrophobicContact CG2-CG 4.14Å
69	G	86.2	Confident	88.8	Confident	2 Å²	2	52 Å²	52	2%	0.021	25%	0.245	C	C	.	.			trans	-56.3	138.1	178.6	0	0	0	0	0	112	G50 I74 W78	G50-G69 PolarHBondContact O-N 3.17Å; G69-I74 VanDerWaalsContact C-CD1 3.48Å; G69-I74 VanDerWaalsContact CA-CD1 3.49Å; G69-W78 PolarHBondContact O-NE1 3.07Å
70	G	89.9	Confident	89.2	Confident	3 Å²	3	50.4 Å²	50.4	3%	0.031	24%	0.244	C	C	.	.			trans	-103.7	5.7	-172.5	0	0	0	0	0	115.1	G24 D26 V68 R75	G24-G70 WeakPolarHBondContact O-CA 3.26Å; D26-G70 PolarHBondContact N-O 2.89Å; D26-G70 VanDerWaalsContact N-O 3.12Å; V68-G70 PolarHBondContact O-N 3.4Å; G70-R75 PolarHBondContact O-NE 3.09Å; G70-R75 PolarHBondContact O-NH2 2.79Å
71	Q	91.2	Very high	89.8	Confident	80 Å²	80	46.7 Å²	46.7	37%	0.374	22%	0.222	S	C	.	.			trans	-66	137.9	178.7	-58.7	175	68.7	0	0	109	D26 K73 I74 R75	D26-Q71 HydrophobicContact CB-CG 4.09Å; Q71-K73 VanDerWaalsContact C-N 3.28Å; Q71-K73 PolarHBondContact O-N 2.97Å; Q71-K73 VanDerWaalsContact O-N 3.1Å; Q71-I74 HydrophobicContact CB-CD1 4.25Å; Q71-I74 HydrophobicContact CB-CG1 4.01Å; Q71-I74 WeakPolarHBondContact O-CG1 3.37Å; Q71-I74 PolarHBondContact O-N 2.69Å; Q71-R75 WeakPolarHBondContact O-CG 3.31Å; Q71-R75 PolarHBondContact O-N 3.22Å
72	D	91.3	Very high	90.3	Very high	103 Å²	103	46.9 Å²	46.9	55%	0.551	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-43.3	-51	-174.8	179.9	36.9	0	0	0	113.6	I74 R75	D72-I74 PolarHBondContact O-N 3.19Å; D72-R75 PolarHBondContact O-N 2.88Å; D72-R75 IonicContact OD1-NH1 3.9Å
73	K	91.4	Very high	90.6	Very high	196 Å²	196	52.5 Å²	52.5	85%	0.852	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-58.9	-21.7	-178.8	-63.8	-176.9	-179.7	178.2	0	115.5	Q71	Q71-K73 VanDerWaalsContact C-N 3.28Å; Q71-K73 PolarHBondContact O-N 2.97Å; Q71-K73 VanDerWaalsContact O-N 3.1Å
74	I	91.4	Very high	90.7	Very high	35 Å²	35	58.9 Å²	58.9	18%	0.179	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-111.3	-8.4	-176.2	63.8	172.2	0	0	0	113.6	G69 Q71 D72 P76 L77	G69-I74 VanDerWaalsContact C-CD1 3.48Å; G69-I74 VanDerWaalsContact CA-CD1 3.49Å; Q71-I74 HydrophobicContact CB-CD1 4.25Å; Q71-I74 HydrophobicContact CB-CG1 4.01Å; Q71-I74 WeakPolarHBondContact O-CG1 3.37Å; Q71-I74 PolarHBondContact O-N 2.69Å; D72-I74 PolarHBondContact O-N 3.19Å; I74-P76 VanDerWaalsContact C-N 3.27Å; I74-L77 HydrophobicContact CB-CD1 4.18Å; I74-L77 HydrophobicContact CG2-CD1 4.45Å; I74-L77 VanDerWaalsContact O-CB 3.23Å; I74-L77 WeakPolarHBondContact O-CB 3.48Å; I74-L77 WeakPolarHBondContact O-CG 3.3Å; I74-L77 PolarHBondContact O-N 2.71Å
75	R	92.5	Very high	90.9	Very high	8 Å²	8	57.7 Å²	57.7	3%	0.03	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-55.2	-34.2	175	-59.6	-179.4	-166.4	149.4	2.6	113.9	D26 G70 Q71 D72 L77 W78 E102 E106	D26-R75 IonicContact OD1-NH2 2.88Å; D26-R75 PolarHBondContact OD1-NH2 3.26Å; G70-R75 PolarHBondContact O-NE 3.09Å; G70-R75 PolarHBondContact O-NH2 2.79Å; Q71-R75 WeakPolarHBondContact O-CG 3.31Å; Q71-R75 PolarHBondContact O-N 3.22Å; D72-R75 PolarHBondContact O-N 2.88Å; D72-R75 IonicContact OD1-NH1 3.9Å; R75-L77 PolarHBondContact O-N 2.96Å; R75-W78 HydrophobicContact CB-CD2 4.25Å; R75-W78 HydrophobicContact CB-CZ2 4.3Å; R75-W78 HydrophobicContact CG-CH2 4.17Å; R75-W78 HydrophobicContact CG-CZ2 3.77Å; R75-W78 VanDerWaalsContact O-CB 3.25Å; R75-W78 WeakPolarHBondContact O-CB 3.27Å; R75-W78 PolarHBondContact O-N 3.41Å; R75-E102 IonicContact CZ-OE1 2.87Å; R75-E102 IonicContact NH1-OE1 3.35Å; R75-E102 PolarHBondContact NH1-OE1 2.93Å; R75-E102 IonicContact NH2-OE1 2.64Å; R75-E102 PolarHBondContact NH2-OE1 3.11Å; R75-E106 IonicContact NH1-OE1 2.65Å
76	P	91.9	Very high	91.2	Very high	67 Å²	67	61 Å²	61	44%	0.435	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-55.2	-24.3	173.1	-30.2	38.2	0	0	0	114.5	I74 W78 R79	I74-P76 VanDerWaalsContact C-N 3.27Å; P76-W78 VanDerWaalsContact C-N 3.29Å; P76-W78 PolarHBondContact O-N 2.84Å; P76-R79 WeakPolarHBondContact O-CG 3.49Å; P76-R79 PolarHBondContact O-NE 2.98Å
77	L	89.5	Confident	91.4	Very high	72 Å²	72	58.4 Å²	58.4	38%	0.377	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-75.3	-15.4	179	-56.8	177.6	0	0	0	113.2	I74 R75 R79 H80 Y81	I74-L77 HydrophobicContact CB-CD1 4.18Å; I74-L77 HydrophobicContact CG2-CD1 4.45Å; I74-L77 VanDerWaalsContact O-CB 3.23Å; I74-L77 WeakPolarHBondContact O-CB 3.48Å; I74-L77 WeakPolarHBondContact O-CG 3.3Å; I74-L77 PolarHBondContact O-N 2.71Å; R75-L77 PolarHBondContact O-N 2.96Å; L77-R79 PolarHBondContact O-N 2.85Å; L77-R79 VanDerWaalsContact O-N 3.12Å; L77-H80 WeakPolarHBondContact O-CB 3.47Å; L77-H80 PolarHBondContact O-CD2 2.88Å; L77-H80 PolarHBondContact O-N 3.45Å; L77-Y81 WeakPolarHBondContact O-CD2 3.47Å; L77-Y81 WeakPolarHBondContact O-CE2 3.48Å
78	W	93.5	Very high	92	Very high	3 Å²	3	58.4 Å²	58.4	1%	0.011	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-53.2	-36.4	179.8	-68.4	0.2	0	0	0	112.1	V23 G24 V68 G69 R75 P76 H80 Y81 F82 E106 M110	V23-W78 HydrophobicContact CB-CD2 4.31Å; V23-W78 HydrophobicContact CB-CE3 4.43Å; V23-W78 HydrophobicContact CB-CH2 4.35Å; V23-W78 HydrophobicContact CB-CZ2 4.26Å; V23-W78 HydrophobicContact CB-CZ3 4.43Å; V23-W78 HydrophobicContact CG1-CD2 4.12Å; V23-W78 HydrophobicContact CG1-CG 4.25Å; G24-W78 WeakPolarHBondContact O-CZ2 3.36Å; V68-W78 HydrophobicContact CG1-CG 4.48Å; G69-W78 PolarHBondContact O-NE1 3.07Å; R75-W78 HydrophobicContact CB-CD2 4.25Å; R75-W78 HydrophobicContact CB-CZ2 4.3Å; R75-W78 HydrophobicContact CG-CH2 4.17Å; R75-W78 HydrophobicContact CG-CZ2 3.77Å; R75-W78 VanDerWaalsContact O-CB 3.25Å; R75-W78 WeakPolarHBondContact O-CB 3.27Å; R75-W78 PolarHBondContact O-N 3.41Å; P76-W78 VanDerWaalsContact C-N 3.29Å; P76-W78 PolarHBondContact O-N 2.84Å; W78-H80 PolarHBondContact O-N 3Å; W78-H80 VanDerWaalsContact O-N 3.11Å; W78-Y81 PolarHBondContact O-N 3.48Å; W78-F82 HydrophobicContact CB-CE1 3.88Å; W78-F82 HydrophobicContact CB-CZ 3.97Å; W78-F82 VanDerWaalsContact O-CD1 3.25Å; W78-F82 WeakPolarHBondContact O-CD1 3.21Å; W78-F82 WeakPolarHBondContact O-CE1 3.33Å; W78-E106 HydrophobicContact CH2-CB 4.41Å; W78-E106 HydrophobicContact CZ3-CB 4.05Å; W78-M110 HydrophobicContact CD2-SD 4.21Å; W78-M110 HydrophobicContact CE3-CE 4.42Å; W78-M110 HydrophobicContact CE3-CG 3.78Å; W78-M110 HydrophobicContact CE3-SD 3.17Å; W78-M110 HydrophobicContact CZ3-CG 4.11Å; W78-M110 HydrophobicContact CZ3-SD 3.36Å; W78-M110 WeakPolarHBondContact CZ3-SD 3.39Å
79	R	92.1	Very high	92.5	Very high	143 Å²	143	58.4 Å²	58.4	54%	0.54	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-55.8	-29.2	179.5	79.2	-176	87.7	169.4	-1	114.4	P76 L77 Y81 F82	P76-R79 WeakPolarHBondContact O-CG 3.49Å; P76-R79 PolarHBondContact O-NE 2.98Å; L77-R79 PolarHBondContact O-N 2.85Å; L77-R79 VanDerWaalsContact O-N 3.12Å; R79-Y81 PolarHBondContact O-N 2.82Å; R79-Y81 VanDerWaalsContact O-N 3.17Å; R79-F82 HydrophobicContact CB-CD2 4.16Å; R79-F82 HydrophobicContact CB-CE2 3.8Å; R79-F82 HydrophobicContact CB-CZ 4.31Å; R79-F82 PolarHBondContact O-N 3.42Å
80	H	92	Very high	93.1	Very high	125 Å²	125	58.3 Å²	58.3	58%	0.579	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-69.2	-12.4	178.7	-59.5	-51.8	0	0	0	113.1	L77 W78	L77-H80 WeakPolarHBondContact O-CB 3.47Å; L77-H80 PolarHBondContact O-CD2 2.88Å; L77-H80 PolarHBondContact O-N 3.45Å; W78-H80 PolarHBondContact O-N 3Å; W78-H80 VanDerWaalsContact O-N 3.11Å
81	Y	92.9	Very high	93.5	Very high	31 Å²	31	58.2 Å²	58.2	12%	0.122	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-109.2	1.9	-177.4	-52.2	-77.9	0	0	0	113.5	R19 F51 W66 V68 L77 W78 R79 T85	R19-Y81 VanDerWaalsContact CZ-O 3.27Å; R19-Y81 PolarHBondContact NH1-O 3.27Å; R19-Y81 PolarHBondContact NH2-O 3.42Å; F51-Y81 HydrophobicContact CB-CE1 4.42Å; F51-Y81 HydrophobicContact CD1-CE1 4Å; F51-Y81 AromaticContact CD1-CZ 3.73Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.46Å; F51-Y81 HydrophobicContact CD2-CE1 4.28Å; F51-Y81 HydrophobicContact CE1-CE1 4.31Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.35Å; F51-Y81 AromaticContact CG-CE1 3.97Å; F51-Y81 HydrophobicContact CG-CE1 3.97Å; F51-Y81 AromaticContact CG-CZ 3.94Å; W66-Y81 HydrophobicContact CD2-CD1 4.09Å; W66-Y81 AromaticContact CE3-CD1 3.29Å; W66-Y81 HydrophobicContact CE3-CD1 3.29Å; W66-Y81 AromaticContact CE3-CE1 3.54Å; W66-Y81 HydrophobicContact CE3-CE1 3.54Å; W66-Y81 HydrophobicContact CE3-CG 4.39Å; W66-Y81 AromaticContact CZ3-CD1 3.64Å; W66-Y81 HydrophobicContact CZ3-CD1 3.64Å; W66-Y81 AromaticContact CZ3-CE1 3.58Å; W66-Y81 HydrophobicContact CZ3-CE1 3.58Å; V68-Y81 HydrophobicContact CG1-CD2 4.1Å; V68-Y81 HydrophobicContact CG1-CE2 3.84Å; V68-Y81 HydrophobicContact CG2-CD2 3.78Å; V68-Y81 HydrophobicContact CG2-CE2 4.14Å; V68-Y81 HydrophobicContact CG2-CG 4.14Å; L77-Y81 WeakPolarHBondContact O-CD2 3.47Å; L77-Y81 WeakPolarHBondContact O-CE2 3.48Å; W78-Y81 PolarHBondContact O-N 3.48Å; R79-Y81 PolarHBondContact O-N 2.82Å; R79-Y81 VanDerWaalsContact O-N 3.17Å; Y81-T85 PolarHBondContact O-OG1 3.48Å
82	F	94.2	Very high	93.9	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.022	26%	0.261	C	S	.	.			trans	-73.6	-35.7	-174.9	-61.8	-14.5	0	0	0	113.6	L21 W78 R79 N84 T85 M110 E113 E115 L116	L21-F82 HydrophobicContact CD2-CD1 3.47Å; L21-F82 VanDerWaalsContact CD2-CD1 3.47Å; L21-F82 HydrophobicContact CD2-CE1 3.76Å; W78-F82 HydrophobicContact CB-CE1 3.88Å; W78-F82 HydrophobicContact CB-CZ 3.97Å; W78-F82 VanDerWaalsContact O-CD1 3.25Å; W78-F82 WeakPolarHBondContact O-CD1 3.21Å; W78-F82 WeakPolarHBondContact O-CE1 3.33Å; R79-F82 HydrophobicContact CB-CD2 4.16Å; R79-F82 HydrophobicContact CB-CE2 3.8Å; R79-F82 HydrophobicContact CB-CZ 4.31Å; R79-F82 PolarHBondContact O-N 3.42Å; F82-N84 PolarHBondContact O-N 3.5Å; F82-T85 WeakPolarHBondContact O-CB 3.34Å; F82-T85 PolarHBondContact O-N 3.22Å; F82-T85 VanDerWaalsContact O-N 3.09Å; F82-T85 PolarHBondContact O-OG1 2.79Å; F82-M110 HydrophobicContact CD1-CE 4.43Å; F82-M110 HydrophobicContact CE1-CE 3.52Å; F82-M110 HydrophobicContact CZ-CE 3.92Å; F82-M110 HydrophobicContact CZ-CG 4.05Å; F82-E113 HydrophobicContact CD2-CB 3.88Å; F82-E113 HydrophobicContact CD2-CG 4.05Å; F82-E113 HydrophobicContact CE2-CB 3.97Å; F82-E113 HydrophobicContact CE2-CG 3.63Å; F82-E115 HydrophobicContact CB-CB 3.7Å; F82-E115 HydrophobicContact CB-CG 4.42Å; F82-L116 HydrophobicContact CB-CD2 3.91Å; F82-L116 HydrophobicContact CB-CG 4.02Å; F82-L116 HydrophobicContact CD1-CD1 3.82Å; F82-L116 HydrophobicContact CD1-CD2 4.16Å; F82-L116 HydrophobicContact CD1-CG 4.18Å; F82-L116 HydrophobicContact CD2-CD1 4.1Å; F82-L116 HydrophobicContact CD2-CG 4.2Å; F82-L116 HydrophobicContact CE1-CD1 3.95Å; F82-L116 HydrophobicContact CE2-CD1 4.25Å; F82-L116 HydrophobicContact CG-CD1 3.9Å; F82-L116 HydrophobicContact CG-CD2 4.08Å; F82-L116 HydrophobicContact CG-CG 3.87Å; F82-L116 HydrophobicContact CZ-CD1 4.17Å
83	Q	92.7	Very high	94.2	Very high	128 Å²	128	50.6 Å²	50.6	60%	0.598	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	133	-177.2	-69.1	-172.1	-22.1	0	0	113	R19 T85 E115	R19-Q83 PolarHBondContact NH1-O 3.05Å; Q83-T85 PolarHBondContact O-N 2.68Å; Q83-E115 HydrophobicContact CG-CG 4.23Å
84	N	91.8	Very high	94.6	Very high	136 Å²	136	41.3 Å²	41.3	73%	0.727	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	16.3	-179.2	-50.4	-47.3	0	0	0	114.5	R19 F82	R19-N84 WeakPolarHBondContact CB-O 3.49Å; R19-N84 WeakPolarHBondContact CD-O 3.47Å; F82-N84 PolarHBondContact O-N 3.5Å
85	T	93.9	Very high	94.9	Very high	12 Å²	12	42 Å²	42	7%	0.074	20%	0.204	C	C	.	.			trans	-70	132.7	170.4	-55.3	0	0	0	0	109.3	R19 L21 Y81 F82 Q83 G87 L116 T119	R19-T85 PolarHBondContact NH1-OG1 2.89Å; L21-T85 HydrophobicContact CB-CG2 3.68Å; Y81-T85 PolarHBondContact O-OG1 3.48Å; F82-T85 WeakPolarHBondContact O-CB 3.34Å; F82-T85 PolarHBondContact O-N 3.22Å; F82-T85 VanDerWaalsContact O-N 3.09Å; F82-T85 PolarHBondContact O-OG1 2.79Å; Q83-T85 PolarHBondContact O-N 2.68Å; T85-G87 WeakPolarHBondContact CG2-O 3.25Å; T85-L116 HydrophobicContact CG2-CD2 4.23Å; T85-T119 HydrophobicContact CG2-CG2 4.04Å; T85-T119 VanDerWaalsContact O-CG2 3.25Å; T85-T119 WeakPolarHBondContact O-CG2 3.38Å
86	Q	93.8	Very high	95.2	Very high	76 Å²	76	43.2 Å²	43.2	36%	0.355	21%	0.211	S	C	.	.			trans	-105.7	-29.3	175.4	-68.3	161.3	-84.5	0	0	111.6	V18 R19 L120 L177	V18-Q86 VanDerWaalsContact CA-OE1 3.29Å; V18-Q86 HydrophobicContact CG1-CB 3.9Å; R19-Q86 PolarHBondContact O-N 2.88Å; Q86-L120 PolarHBondContact O-N 3.02Å; Q86-L177 HydrophobicContact CB-CD2 4.01Å
87	G	95.4	Very high	95.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.2	174	0	0	0	0	0	111.5	R19 I20 L21 T85	R19-G87 PolarHBondContact O-N 2.9Å; I20-G87 VanDerWaalsContact CA-O 3.3Å; I20-G87 WeakPolarHBondContact CA-O 3.11Å; L21-G87 PolarHBondContact N-O 3.21Å; T85-G87 WeakPolarHBondContact CG2-O 3.25Å
88	L	97	Very high	95.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122	177.3	174.7	62.4	0	0	0	108.3	L21 V23 M110 L111 L116 L120 L121 L122	L21-L88 HydrophobicContact CB-CD1 4.2Å; L21-L88 HydrophobicContact CD2-CD1 4.21Å; L21-L88 HydrophobicContact CG-CD1 4.15Å; L21-L88 CarbonylContact O-C 3.6Å; L21-L88 WeakPolarHBondContact O-CA 3.41Å; V23-L88 HydrophobicContact CG2-CD1 3.51Å; L88-M110 HydrophobicContact CD1-CE 3.82Å; L88-M110 HydrophobicContact CD2-CE 4.24Å; L88-L111 HydrophobicContact CD2-CD2 3.67Å; L88-L116 HydrophobicContact CD2-CD1 4.48Å; L88-L120 PolarHBondContact N-O 2.94Å; L88-L121 HydrophobicContact CB-CD1 4.5Å; L88-L121 HydrophobicContact CD2-CD1 3.92Å; L88-L121 HydrophobicContact CG-CD1 4.03Å; L88-L122 PolarHBondContact O-N 3.1Å
89	I	98.2	Very high	96	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.5	168.2	-59.6	179.6	0	0	0	108	I20 L21 M22 V23 V91 L122 F124 L173	I20-I89 HydrophobicContact CG2-CB 4.47Å; I20-I89 HydrophobicContact CG2-CD1 3.68Å; I20-I89 HydrophobicContact CG2-CG1 3.7Å; L21-I89 PolarHBondContact O-N 3.22Å; M22-I89 WeakPolarHBondContact CA-O 3.43Å; M22-I89 HydrophobicContact CB-CB 4.35Å; M22-I89 HydrophobicContact CE-CB 4.41Å; M22-I89 HydrophobicContact CE-CD1 3.88Å; M22-I89 HydrophobicContact CE-CG2 4.16Å; M22-I89 HydrophobicContact CG-CB 4.14Å; M22-I89 HydrophobicContact CG-CG2 4.11Å; V23-I89 PolarHBondContact N-O 3.08Å; I89-V91 HydrophobicContact CG2-CG2 3.95Å; I89-L122 CarbonylContact C-O 3.55Å; I89-L122 VanDerWaalsContact CA-O 3.27Å; I89-L122 WeakPolarHBondContact CA-O 2.95Å; I89-L122 HydrophobicContact CD1-CD2 4.35Å; I89-L122 HydrophobicContact CG1-CB 4.32Å; I89-L122 HydrophobicContact CG1-CD2 4.19Å; I89-F124 HydrophobicContact CD1-CE2 4.31Å; I89-F124 HydrophobicContact CG2-CD2 3.42Å; I89-F124 VanDerWaalsContact CG2-CD2 3.42Å; I89-F124 HydrophobicContact CG2-CE2 3.78Å; I89-F124 HydrophobicContact CG2-CG 4.3Å; I89-L173 HydrophobicContact CD1-CD1 3.86Å; I89-L173 HydrophobicContact CG1-CD1 3.9Å
90	F	98.5	Very high	96.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.6	174	-164.7	-100.4	0	0	0	110	V23 V92 A103 L107 L121 L122 V123 F124	V23-F90 HydrophobicContact CG2-CD2 3.88Å; V23-F90 HydrophobicContact CG2-CE2 4.44Å; V23-F90 CarbonylContact O-C 3.55Å; V23-F90 WeakPolarHBondContact O-CA 3.39Å; F90-V92 HydrophobicContact CD1-CG2 3.58Å; F90-V92 HydrophobicContact CE1-CG2 3.61Å; F90-A103 HydrophobicContact CE1-CB 4.29Å; F90-A103 HydrophobicContact CZ-CB 4.44Å; F90-A103 VanDerWaalsContact CZ-O 3.24Å; F90-A103 WeakPolarHBondContact CZ-O 3.32Å; F90-L107 HydrophobicContact CB-CD1 4.13Å; F90-L107 HydrophobicContact CD1-CB 4.38Å; F90-L107 HydrophobicContact CD1-CD1 4.16Å; F90-L107 HydrophobicContact CD1-CD2 4.32Å; F90-L107 HydrophobicContact CD2-CB 4.44Å; F90-L107 HydrophobicContact CD2-CD1 3.84Å; F90-L107 HydrophobicContact CE1-CB 3.96Å; F90-L107 HydrophobicContact CE1-CD2 4.5Å; F90-L107 HydrophobicContact CE2-CB 4.03Å; F90-L107 HydrophobicContact CE2-CD1 4.27Å; F90-L107 HydrophobicContact CG-CD1 3.78Å; F90-L107 HydrophobicContact CZ-CB 3.78Å; F90-L121 HydrophobicContact CB-CD1 3.98Å; F90-L122 PolarHBondContact N-O 3.49Å; F90-V123 HydrophobicContact CB-CG2 4.47Å; F90-V123 CarbonylContact O-C 3.39Å; F90-V123 VanDerWaalsContact O-CA 3.3Å; F90-V123 WeakPolarHBondContact O-CA 3.43Å; F90-F124 PolarHBondContact O-N 2.83Å
91	V	98.7	Very high	96.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.4	-176.4	-170.5	0	0	0	0	109.9	M22 V23 A28 K30 I33 I89 F124 N126	M22-V91 HydrophobicContact CG-CG2 3.87Å; M22-V91 HydrophobicContact SD-CG2 4.14Å; V23-V91 PolarHBondContact O-N 3.38Å; A28-V91 HydrophobicContact CB-CB 4.33Å; A28-V91 HydrophobicContact CB-CG1 4.08Å; A28-V91 WeakPolarHBondContact CB-O 3.4Å; A28-V91 WeakPolarHBondContact O-CG1 3.46Å; K30-V91 HydrophobicContact CG-CB 3.77Å; K30-V91 HydrophobicContact CG-CG1 4.39Å; K30-V91 HydrophobicContact CG-CG2 3.76Å; I33-V91 HydrophobicContact CD1-CG1 3.69Å; I33-V91 HydrophobicContact CD1-CG2 3.99Å; I89-V91 HydrophobicContact CG2-CG2 3.95Å; V91-F124 HydrophobicContact CG1-CB 4.37Å; V91-F124 HydrophobicContact CG2-CB 4.39Å; V91-F124 HydrophobicContact CG2-CD2 4.39Å; V91-N126 HydrophobicContact CG1-CB 3.89Å
92	V	98.7	Very high	96.8	Very high	4 Å²	4	41 Å²	41	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.5	-179.7	-176.1	0	0	0	0	109.1	F90 S94 I100 V123 F124 N126 L139 L143	F90-V92 HydrophobicContact CD1-CG2 3.58Å; F90-V92 HydrophobicContact CE1-CG2 3.61Å; V92-S94 PolarHBondContact O-N 3.29Å; V92-I100 HydrophobicContact CG1-CD1 3.66Å; V92-V123 HydrophobicContact CG2-CG1 4.18Å; V92-F124 PolarHBondContact N-O 3.23Å; V92-N126 WeakPolarHBondContact O-CB 3.37Å; V92-N126 PolarHBondContact O-N 2.9Å; V92-L139 HydrophobicContact CG1-CD1 4.39Å; V92-L139 HydrophobicContact CG1-CD2 4.03Å; V92-L143 HydrophobicContact CG2-CD1 4.07Å
93	D	98.5	Very high	97	Very high	20 Å²	20	40.9 Å²	40.9	11%	0.107	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	108.4	166.2	-172.6	-18.5	0	0	0	108.7	N95 D96 K127	D93-N95 PolarHBondContact O-N 3.1Å; D93-N95 PolarHBondContact OD1-N 3.24Å; D93-D96 HydrophobicContact CB-CB 3.79Å; D93-D96 PolarHBondContact O-N 2.84Å; D93-D96 PolarHBondContact OD1-N 2.7Å; D93-K127 WeakPolarHBondContact OD1-CD 3.24Å; D93-K127 VanDerWaalsContact OD2-CE 3.25Å; D93-K127 WeakPolarHBondContact OD2-CE 3.45Å; D93-K127 IonicContact OD2-NZ 3.7Å; D93-K127 PolarHBondContact OD2-NZ 2.81Å
94	S	98.8	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.3	-177.3	-49.9	0	0	0	0	112.7	V92 A125 N126 Q128 A133 L134 L139	V92-S94 PolarHBondContact O-N 3.29Å; S94-A125 WeakPolarHBondContact OG-CA 3.39Å; S94-A125 PolarHBondContact OG-O 2.93Å; S94-N126 WeakPolarHBondContact CB-O 3.36Å; S94-N126 PolarHBondContact N-O 3.34Å; S94-N126 PolarHBondContact OG-N 2.97Å; S94-N126 PolarHBondContact OG-O 2.99Å; S94-Q128 PolarHBondContact OG-NE2 2.73Å; S94-A133 WeakPolarHBondContact O-CA 3.43Å; S94-L134 WeakPolarHBondContact CB-O 3.39Å; S94-L134 PolarHBondContact O-N 2.83Å; S94-L139 WeakPolarHBondContact OG-CD1 3.44Å
95	N	98.3	Very high	97.6	Very high	51 Å²	51	36.1 Å²	36.1	27%	0.273	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-6.7	-178.8	-166.2	84	0	0	0	112.4	D93 T97 L130 N132 A133	D93-N95 PolarHBondContact O-N 3.1Å; D93-N95 PolarHBondContact OD1-N 3.24Å; N95-T97 PolarHBondContact O-N 2.77Å; N95-L130 HydrophobicContact CB-CB 3.95Å; N95-L130 HydrophobicContact CB-CD1 3.57Å; N95-L130 HydrophobicContact CB-CG 4.4Å; N95-L130 WeakPolarHBondContact OD1-CB 3.24Å; N95-N132 WeakPolarHBondContact OD1-CB 3.48Å; N95-N132 PolarHBondContact OD1-N 3.13Å; N95-A133 PolarHBondContact OD1-N 3.46Å
96	D	98	Very high	97.7	Very high	33 Å²	33	36.1 Å²	36.1	18%	0.176	19%	0.193	C	C	.	.			trans	-94.8	73.5	176.6	-164.4	-29	0	0	0	110.8	D93 D98 R99 I100	D93-D96 HydrophobicContact CB-CB 3.79Å; D93-D96 PolarHBondContact O-N 2.84Å; D93-D96 PolarHBondContact OD1-N 2.7Å; D96-D98 PolarHBondContact O-N 2.72Å; D96-R99 PolarHBondContact O-N 3.25Å; D96-R99 PolarHBondContact OD1-N 2.88Å; D96-R99 IonicContact OD1-NE 3.7Å; D96-R99 IonicContact OD2-CZ 2.68Å; D96-R99 IonicContact OD2-NE 3.53Å; D96-R99 PolarHBondContact OD2-NE 2.68Å; D96-R99 IonicContact OD2-NH2 2.65Å; D96-R99 PolarHBondContact OD2-NH2 3.48Å; D96-I100 WeakPolarHBondContact O-CD1 3.35Å; D96-I100 WeakPolarHBondContact O-CG1 3.39Å
97	T	96.9	Very high	97.9	Very high	70 Å²	70	32.5 Å²	32.5	43%	0.429	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-65.2	-25.2	-174.2	55.3	0	0	0	0	113.4	N95 L134	N95-T97 PolarHBondContact O-N 2.77Å; T97-L134 HydrophobicContact CG2-CD1 4.02Å; T97-L134 HydrophobicContact CG2-CD2 4.44Å; T97-L134 HydrophobicContact CG2-CG 4.04Å
98	D	97.6	Very high	98	Very high	147 Å²	147	34.5 Å²	34.5	79%	0.786	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-74.3	-33	-175.7	-63.5	-19.3	0	0	0	111.6	D96	D96-D98 PolarHBondContact O-N 2.72Å
99	R	97.8	Very high	97.9	Very high	65 Å²	65	40.9 Å²	40.9	25%	0.245	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-98.7	9.3	-178	-62.1	-168.6	-69.4	165.9	1.3	114.8	L25 D26 D96 G101 E102 A103	L25-R99 HydrophobicContact CD1-CB 3.83Å; D26-R99 IonicContact OD1-NH1 3.65Å; D26-R99 PolarHBondContact OD1-NH1 2.88Å; D26-R99 IonicContact OD2-CZ 3.78Å; D26-R99 IonicContact OD2-NH1 3.85Å; D26-R99 PolarHBondContact OD2-NH1 2.83Å; D26-R99 IonicContact OD2-NH2 2.88Å; D96-R99 PolarHBondContact O-N 3.25Å; D96-R99 PolarHBondContact OD1-N 2.88Å; D96-R99 IonicContact OD1-NE 3.7Å; D96-R99 IonicContact OD2-CZ 2.68Å; D96-R99 IonicContact OD2-NE 3.53Å; D96-R99 PolarHBondContact OD2-NE 2.68Å; D96-R99 IonicContact OD2-NH2 2.65Å; D96-R99 PolarHBondContact OD2-NH2 3.48Å; R99-G101 VanDerWaalsContact C-N 3.29Å; R99-G101 PolarHBondContact O-N 3.01Å; R99-E102 HydrophobicContact CB-CB 4.5Å; R99-E102 WeakPolarHBondContact CD-OE2 3.48Å; R99-E102 WeakPolarHBondContact CG-OE2 3.49Å; R99-E102 WeakPolarHBondContact O-CB 3.36Å; R99-E102 PolarHBondContact O-N 3.12Å; R99-A103 PolarHBondContact O-N 2.97Å
100	I	98.3	Very high	97.8	Very high	9 Å²	9	41.1 Å²	41.1	5%	0.046	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-35.5	176.6	-59.6	-55.9	0	0	0	112.2	V92 D96 A103 K104 L134 L139 K142 L143	V92-I100 HydrophobicContact CG1-CD1 3.66Å; D96-I100 WeakPolarHBondContact O-CD1 3.35Å; D96-I100 WeakPolarHBondContact O-CG1 3.39Å; I100-A103 PolarHBondContact O-N 3.35Å; I100-K104 WeakPolarHBondContact O-CB 3.33Å; I100-K104 PolarHBondContact O-N 3.04Å; I100-L134 HydrophobicContact CD1-CD1 4.31Å; I100-L134 HydrophobicContact CG1-CD1 3.91Å; I100-L139 HydrophobicContact CD1-CD2 3.61Å; I100-L139 HydrophobicContact CG1-CD2 4.26Å; I100-L139 HydrophobicContact CG2-CD2 4.25Å; I100-K142 HydrophobicContact CG2-CB 3.66Å; I100-K142 HydrophobicContact CG2-CD 4.33Å; I100-L143 HydrophobicContact CG2-CD2 4.14Å
101	G	98.2	Very high	97.6	Very high	41 Å²	41	42 Å²	42	42%	0.423	22%	0.215	S	C	.	.	H	α-helix	trans	-62.8	-45.5	174.7	0	0	0	0	0	112.1	R99 A103 K104 D105	R99-G101 VanDerWaalsContact C-N 3.29Å; R99-G101 PolarHBondContact O-N 3.01Å; G101-A103 PolarHBondContact O-N 3.4Å; G101-K104 WeakPolarHBondContact O-CB 2.97Å; G101-K104 PolarHBondContact O-N 2.96Å; G101-D105 PolarHBondContact O-N 2.93Å
102	E	98	Very high	97.4	Very high	62 Å²	62	49.3 Å²	49.3	29%	0.29	25%	0.249	S	C	.	.	H	α-helix	trans	-61.5	-43.9	175.1	-175.1	-175.2	179.5	0	0	111.6	L25 R75 R99 K104 D105 E106	L25-E102 HydrophobicContact CD1-CB 4.18Å; L25-E102 HydrophobicContact CD1-CG 4.08Å; L25-E102 HydrophobicContact CD2-CG 4.36Å; R75-E102 IonicContact CZ-OE1 2.87Å; R75-E102 IonicContact NH1-OE1 3.35Å; R75-E102 PolarHBondContact NH1-OE1 2.93Å; R75-E102 IonicContact NH2-OE1 2.64Å; R75-E102 PolarHBondContact NH2-OE1 3.11Å; R99-E102 HydrophobicContact CB-CB 4.5Å; R99-E102 WeakPolarHBondContact CD-OE2 3.48Å; R99-E102 WeakPolarHBondContact CG-OE2 3.49Å; R99-E102 WeakPolarHBondContact O-CB 3.36Å; R99-E102 PolarHBondContact O-N 3.12Å; E102-K104 VanDerWaalsContact C-N 3.32Å; E102-K104 PolarHBondContact O-N 3.26Å; E102-D105 PolarHBondContact O-N 3.42Å; E102-E106 WeakPolarHBondContact O-CG 3.4Å; E102-E106 PolarHBondContact O-N 3.49Å
103	A	98.2	Very high	97.3	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-40.3	176.5	0	0	0	0	0	112	L25 F90 R99 I100 G101 L107 L143	L25-A103 HydrophobicContact CD1-CB 3.93Å; L25-A103 HydrophobicContact CG-CB 3.99Å; F90-A103 HydrophobicContact CE1-CB 4.29Å; F90-A103 HydrophobicContact CZ-CB 4.44Å; F90-A103 VanDerWaalsContact CZ-O 3.24Å; F90-A103 WeakPolarHBondContact CZ-O 3.32Å; R99-A103 PolarHBondContact O-N 2.97Å; I100-A103 PolarHBondContact O-N 3.35Å; G101-A103 PolarHBondContact O-N 3.4Å; A103-L107 WeakPolarHBondContact O-CB 3.4Å; A103-L107 PolarHBondContact O-N 3.4Å; A103-L143 HydrophobicContact CB-CD2 4.35Å
104	K	98.5	Very high	97.2	Very high	61 Å²	61	57 Å²	57	27%	0.265	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-49.7	173.8	172.9	-177.6	177.9	-173.9	0	111.3	I100 G101 E102 E106 L107 F108 L143	I100-K104 WeakPolarHBondContact O-CB 3.33Å; I100-K104 PolarHBondContact O-N 3.04Å; G101-K104 WeakPolarHBondContact O-CB 2.97Å; G101-K104 PolarHBondContact O-N 2.96Å; E102-K104 VanDerWaalsContact C-N 3.32Å; E102-K104 PolarHBondContact O-N 3.26Å; K104-E106 VanDerWaalsContact C-N 3.3Å; K104-E106 PolarHBondContact O-N 3.36Å; K104-L107 WeakPolarHBondContact O-CB 3.1Å; K104-L107 PolarHBondContact O-N 3.25Å; K104-F108 HydrophobicContact CG-CD2 3.88Å; K104-F108 HydrophobicContact CG-CE2 4.12Å; K104-F108 WeakPolarHBondContact O-CD2 3.01Å; K104-F108 PolarHBondContact O-N 2.95Å; K104-L143 HydrophobicContact CB-CD2 4.11Å; K104-L143 WeakPolarHBondContact CG-O 3.45Å
105	D	97.6	Very high	97	Very high	102 Å²	102	61.2 Å²	61.2	55%	0.545	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-41.9	-176.7	-70.4	-16.3	0	0	0	111.1	G101 E102 R109	G101-D105 PolarHBondContact O-N 2.93Å; E102-D105 PolarHBondContact O-N 3.42Å; D105-R109 VanDerWaalsContact O-CB 3.24Å; D105-R109 WeakPolarHBondContact O-CB 3.36Å; D105-R109 PolarHBondContact O-N 2.82Å
106	E	97.2	Very high	96.9	Very high	12 Å²	12	58.8 Å²	58.8	6%	0.056	29%	0.294	C	S	.	.	H	α-helix	trans	-65.7	-42.2	174.3	-68.7	-59.3	160.1	0	0	112.5	L25 R75 W78 E102 K104 R109 M110	L25-E106 HydrophobicContact CD2-CG 4.16Å; R75-E106 IonicContact NH1-OE1 2.65Å; W78-E106 HydrophobicContact CH2-CB 4.41Å; W78-E106 HydrophobicContact CZ3-CB 4.05Å; E102-E106 WeakPolarHBondContact O-CG 3.4Å; E102-E106 PolarHBondContact O-N 3.49Å; K104-E106 VanDerWaalsContact C-N 3.3Å; K104-E106 PolarHBondContact O-N 3.36Å; E106-R109 PolarHBondContact O-N 2.94Å; E106-R109 IonicContact OE1-CZ 3.65Å; E106-R109 IonicContact OE1-NH1 2.72Å; E106-R109 PolarHBondContact OE1-NH1 2.85Å; E106-R109 IonicContact OE1-NH2 2.7Å; E106-R109 IonicContact OE2-CZ 3Å; E106-R109 IonicContact OE2-NH1 3.9Å; E106-R109 PolarHBondContact OE2-NH1 2.97Å; E106-M110 WeakPolarHBondContact O-CG 3.07Å; E106-M110 PolarHBondContact O-N 2.97Å
107	L	97.6	Very high	96.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.2	-51.9	175.2	176.4	61.8	0	0	0	110.7	F90 A103 K104 R109 M110 L111 L121 L145	F90-L107 HydrophobicContact CB-CD1 4.13Å; F90-L107 HydrophobicContact CD1-CB 4.38Å; F90-L107 HydrophobicContact CD1-CD1 4.16Å; F90-L107 HydrophobicContact CD1-CD2 4.32Å; F90-L107 HydrophobicContact CD2-CB 4.44Å; F90-L107 HydrophobicContact CD2-CD1 3.84Å; F90-L107 HydrophobicContact CE1-CB 3.96Å; F90-L107 HydrophobicContact CE1-CD2 4.5Å; F90-L107 HydrophobicContact CE2-CB 4.03Å; F90-L107 HydrophobicContact CE2-CD1 4.27Å; F90-L107 HydrophobicContact CG-CD1 3.78Å; F90-L107 HydrophobicContact CZ-CB 3.78Å; A103-L107 WeakPolarHBondContact O-CB 3.4Å; A103-L107 PolarHBondContact O-N 3.4Å; K104-L107 WeakPolarHBondContact O-CB 3.1Å; K104-L107 PolarHBondContact O-N 3.25Å; L107-R109 PolarHBondContact O-N 2.79Å; L107-M110 PolarHBondContact O-N 2.99Å; L107-L111 HydrophobicContact CD1-CD1 3.8Å; L107-L111 HydrophobicContact CD1-CD2 4.41Å; L107-L111 HydrophobicContact CD1-CG 3.97Å; L107-L111 HydrophobicContact CG-CD1 3.93Å; L107-L111 HydrophobicContact CG-CG 4.39Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 2.89Å; L107-L111 PolarHBondContact O-N 2.92Å; L107-L121 HydrophobicContact CD1-CD1 4.04Å; L107-L121 HydrophobicContact CD1-CD2 4.26Å; L107-L145 HydrophobicContact CD2-CD2 3.76Å
108	F	97.3	Very high	96.5	Very high	42 Å²	42	68.3 Å²	68.3	18%	0.184	33%	0.331	C	S	.	.	H	α-helix	trans	-66.8	-37.1	-178.1	-86	-101.6	0	0	0	112.3	K104 M110 L111 Q112 L143 Q147 L148	K104-F108 HydrophobicContact CG-CD2 3.88Å; K104-F108 HydrophobicContact CG-CE2 4.12Å; K104-F108 WeakPolarHBondContact O-CD2 3.01Å; K104-F108 PolarHBondContact O-N 2.95Å; F108-M110 VanDerWaalsContact C-N 3.35Å; F108-L111 PolarHBondContact O-N 2.85Å; F108-Q112 WeakPolarHBondContact O-CG 3.46Å; F108-Q112 PolarHBondContact O-N 3.08Å; F108-L143 WeakPolarHBondContact CE2-O 3.44Å; F108-Q147 HydrophobicContact CE1-CB 4.3Å; F108-Q147 HydrophobicContact CZ-CB 4.23Å; F108-L148 HydrophobicContact CE1-CD2 3.96Å; F108-L148 HydrophobicContact CZ-CD2 4.01Å; F108-L148 HydrophobicContact CZ-CG 4.39Å
109	R	95.7	Very high	96.4	Very high	135 Å²	135	61.6 Å²	61.6	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-58.4	-47.7	172.9	-175.1	-172.3	-63.8	154.5	0.7	111.1	D105 E106 L107 Q112	D105-R109 VanDerWaalsContact O-CB 3.24Å; D105-R109 WeakPolarHBondContact O-CB 3.36Å; D105-R109 PolarHBondContact O-N 2.82Å; E106-R109 PolarHBondContact O-N 2.94Å; E106-R109 IonicContact OE1-CZ 3.65Å; E106-R109 IonicContact OE1-NH1 2.72Å; E106-R109 PolarHBondContact OE1-NH1 2.85Å; E106-R109 IonicContact OE1-NH2 2.7Å; E106-R109 IonicContact OE2-CZ 3Å; E106-R109 IonicContact OE2-NH1 3.9Å; E106-R109 PolarHBondContact OE2-NH1 2.97Å; L107-R109 PolarHBondContact O-N 2.79Å; R109-Q112 PolarHBondContact O-N 2.88Å
110	M	95	Very high	96.3	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.03	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-45.3	177.2	-75	-174.3	61	0	0	112.7	L21 V23 W78 F82 L88 E106 L107 F108 Q112 E113 L116	L21-M110 HydrophobicContact CD2-CE 4.19Å; V23-M110 HydrophobicContact CB-CE 4.35Å; V23-M110 HydrophobicContact CB-SD 4.25Å; V23-M110 HydrophobicContact CG1-CE 4.37Å; V23-M110 HydrophobicContact CG2-CE 3.44Å; V23-M110 VanDerWaalsContact CG2-CE 3.44Å; V23-M110 HydrophobicContact CG2-SD 3.54Å; V23-M110 VanDerWaalsContact CG2-SD 3.54Å; W78-M110 HydrophobicContact CD2-SD 4.21Å; W78-M110 HydrophobicContact CE3-CE 4.42Å; W78-M110 HydrophobicContact CE3-CG 3.78Å; W78-M110 HydrophobicContact CE3-SD 3.17Å; W78-M110 HydrophobicContact CZ3-CG 4.11Å; W78-M110 HydrophobicContact CZ3-SD 3.36Å; W78-M110 WeakPolarHBondContact CZ3-SD 3.39Å; F82-M110 HydrophobicContact CD1-CE 4.43Å; F82-M110 HydrophobicContact CE1-CE 3.52Å; F82-M110 HydrophobicContact CZ-CE 3.92Å; F82-M110 HydrophobicContact CZ-CG 4.05Å; L88-M110 HydrophobicContact CD1-CE 3.82Å; L88-M110 HydrophobicContact CD2-CE 4.24Å; E106-M110 WeakPolarHBondContact O-CG 3.07Å; E106-M110 PolarHBondContact O-N 2.97Å; L107-M110 PolarHBondContact O-N 2.99Å; F108-M110 VanDerWaalsContact C-N 3.35Å; M110-Q112 PolarHBondContact O-N 2.9Å; M110-Q112 VanDerWaalsContact O-N 3.12Å; M110-E113 WeakPolarHBondContact O-CB 3.5Å; M110-E113 WeakPolarHBondContact O-CG 3.46Å; M110-E113 PolarHBondContact O-N 2.87Å; M110-L116 HydrophobicContact CB-CD1 4.28Å; M110-L116 HydrophobicContact CE-CD1 3.86Å; M110-L116 WeakPolarHBondContact O-CD1 3.23Å
111	L	95.7	Very high	96.3	Very high	19 Å²	19	59.1 Å²	59.1	10%	0.099	29%	0.287	C	S	.	.	H	α-helix	trans	-69.1	-9.5	-174.9	-65.7	-179.9	0	0	0	113.9	L88 L107 F108 E113 L121 L148 R151	L88-L111 HydrophobicContact CD2-CD2 3.67Å; L107-L111 HydrophobicContact CD1-CD1 3.8Å; L107-L111 HydrophobicContact CD1-CD2 4.41Å; L107-L111 HydrophobicContact CD1-CG 3.97Å; L107-L111 HydrophobicContact CG-CD1 3.93Å; L107-L111 HydrophobicContact CG-CG 4.39Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 2.89Å; L107-L111 PolarHBondContact O-N 2.92Å; F108-L111 PolarHBondContact O-N 2.85Å; L111-E113 VanDerWaalsContact C-N 3.34Å; L111-L121 HydrophobicContact CD1-CD2 3.95Å; L111-L148 HydrophobicContact CD1-CD1 3.71Å; L111-L148 HydrophobicContact CD1-CD2 3.67Å; L111-L148 HydrophobicContact CD1-CG 4.36Å; L111-R151 PolarHBondContact O-NH2 2.78Å
112	Q	94.6	Very high	96.3	Very high	154 Å²	154	57.1 Å²	57.1	72%	0.72	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-13	172.2	-73.9	172.5	-1.7	0	0	113.4	F108 R109 M110	F108-Q112 WeakPolarHBondContact O-CG 3.46Å; F108-Q112 PolarHBondContact O-N 3.08Å; R109-Q112 PolarHBondContact O-N 2.88Å; M110-Q112 PolarHBondContact O-N 2.9Å; M110-Q112 VanDerWaalsContact O-N 3.12Å
113	E	96.1	Very high	96.4	Very high	76 Å²	76	54.2 Å²	54.2	36%	0.355	25%	0.253	S	S	.	.	S	Bend	trans	-78.2	133.6	-176.2	-60.7	-82.8	-176.3	0	0	110.5	F82 M110 L111 E115 L116 R117	F82-E113 HydrophobicContact CD2-CB 3.88Å; F82-E113 HydrophobicContact CD2-CG 4.05Å; F82-E113 HydrophobicContact CE2-CB 3.97Å; F82-E113 HydrophobicContact CE2-CG 3.63Å; M110-E113 WeakPolarHBondContact O-CB 3.5Å; M110-E113 WeakPolarHBondContact O-CG 3.46Å; M110-E113 PolarHBondContact O-N 2.87Å; L111-E113 VanDerWaalsContact C-N 3.34Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.42Å; E113-L116 PolarHBondContact O-N 3.32Å; E113-R117 PolarHBondContact O-N 2.88Å
114	D	95	Very high	96.4	Very high	108 Å²	108	54 Å²	54	58%	0.578	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-63.1	-35.2	-171.6	-82.4	-20.4	0	0	0	112.1	L116 R117	D114-L116 PolarHBondContact O-N 2.84Å; D114-R117 VanDerWaalsContact O-CB 3.26Å; D114-R117 WeakPolarHBondContact O-CB 3.4Å; D114-R117 PolarHBondContact O-N 2.85Å; D114-R117 VanDerWaalsContact O-N 3.11Å; D114-R117 IonicContact OD1-CZ 3.73Å; D114-R117 IonicContact OD1-NE 2.66Å; D114-R117 IonicContact OD1-NH2 3.58Å; D114-R117 PolarHBondContact OD1-NH2 3.17Å; D114-R117 IonicContact OD2-NH2 3.11Å
115	E	96.2	Very high	96.4	Very high	89 Å²	89	51.1 Å²	51.1	42%	0.416	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-62.4	-21.5	176.4	-62.1	94.2	147.5	0	0	113	F82 Q83 E113	F82-E115 HydrophobicContact CB-CB 3.7Å; F82-E115 HydrophobicContact CB-CG 4.42Å; Q83-E115 HydrophobicContact CG-CG 4.23Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.42Å
116	L	95.8	Very high	96.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-101.2	1.1	179.2	-62.7	-175.9	0	0	0	113	F82 T85 L88 M110 E113 D114 D118 T119 R151	F82-L116 HydrophobicContact CB-CD2 3.91Å; F82-L116 HydrophobicContact CB-CG 4.02Å; F82-L116 HydrophobicContact CD1-CD1 3.82Å; F82-L116 HydrophobicContact CD1-CD2 4.16Å; F82-L116 HydrophobicContact CD1-CG 4.18Å; F82-L116 HydrophobicContact CD2-CD1 4.1Å; F82-L116 HydrophobicContact CD2-CG 4.2Å; F82-L116 HydrophobicContact CE1-CD1 3.95Å; F82-L116 HydrophobicContact CE2-CD1 4.25Å; F82-L116 HydrophobicContact CG-CD1 3.9Å; F82-L116 HydrophobicContact CG-CD2 4.08Å; F82-L116 HydrophobicContact CG-CG 3.87Å; F82-L116 HydrophobicContact CZ-CD1 4.17Å; T85-L116 HydrophobicContact CG2-CD2 4.23Å; L88-L116 HydrophobicContact CD2-CD1 4.48Å; M110-L116 HydrophobicContact CB-CD1 4.28Å; M110-L116 HydrophobicContact CE-CD1 3.86Å; M110-L116 WeakPolarHBondContact O-CD1 3.23Å; E113-L116 PolarHBondContact O-N 3.32Å; D114-L116 PolarHBondContact O-N 2.84Å; L116-D118 VanDerWaalsContact C-N 3.33Å; L116-D118 PolarHBondContact O-N 3.19Å; L116-T119 HydrophobicContact CB-CG2 4.43Å; L116-T119 HydrophobicContact CD2-CG2 3.9Å; L116-T119 PolarHBondContact O-N 3.41Å; L116-T119 VanDerWaalsContact O-N 3.15Å; L116-T119 PolarHBondContact O-OG1 2.85Å; L116-R151 PolarHBondContact O-NH1 2.67Å; L116-R151 PolarHBondContact O-NH2 3.31Å
117	R	93.9	Very high	96.5	Very high	151 Å²	151	48.3 Å²	48.3	57%	0.57	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-47.1	-174	-173.1	-179.1	-65.1	175	-0.5	113.6	E113 D114 R151	E113-R117 PolarHBondContact O-N 2.88Å; D114-R117 VanDerWaalsContact O-CB 3.26Å; D114-R117 WeakPolarHBondContact O-CB 3.4Å; D114-R117 PolarHBondContact O-N 2.85Å; D114-R117 VanDerWaalsContact O-N 3.11Å; D114-R117 IonicContact OD1-CZ 3.73Å; D114-R117 IonicContact OD1-NE 2.66Å; D114-R117 IonicContact OD1-NH2 3.58Å; D114-R117 PolarHBondContact OD1-NH2 3.17Å; D114-R117 IonicContact OD2-NH2 3.11Å; R117-R151 PolarHBondContact O-NH1 2.65Å; R117-R151 PolarHBondContact O-NH2 3.32Å
118	D	92	Very high	96.6	Very high	153 Å²	153	51.2 Å²	51.2	82%	0.818	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	7.2	-174.7	-61.7	-41.5	0	0	0	114	L116	L116-D118 VanDerWaalsContact C-N 3.33Å; L116-D118 PolarHBondContact O-N 3.19Å
119	T	95.3	Very high	96.6	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.031	25%	0.249	C	C	.	.			trans	-76.2	140.4	-177.8	61.6	0	0	0	0	112.7	T85 L116 R151	T85-T119 HydrophobicContact CG2-CG2 4.04Å; T85-T119 VanDerWaalsContact O-CG2 3.25Å; T85-T119 WeakPolarHBondContact O-CG2 3.38Å; L116-T119 HydrophobicContact CB-CG2 4.43Å; L116-T119 HydrophobicContact CD2-CG2 3.9Å; L116-T119 PolarHBondContact O-N 3.41Å; L116-T119 VanDerWaalsContact O-N 3.15Å; L116-T119 PolarHBondContact O-OG1 2.85Å; T119-R151 PolarHBondContact O-NH1 3.46Å; T119-R151 PolarHBondContact OG1-NH1 3.48Å; T119-R151 VanDerWaalsContact OG1-NH1 3.12Å
120	L	96.8	Very high	96.7	Very high	22 Å²	22	49.8 Å²	49.8	12%	0.115	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	140.2	167.3	-60.6	175.2	0	0	0	109.7	Q86 L88 T152 W172 L173 N176 L177	Q86-L120 PolarHBondContact O-N 3.02Å; L88-L120 PolarHBondContact N-O 2.94Å; L120-T152 HydrophobicContact CD2-CG2 3.73Å; L120-W172 HydrophobicContact CB-CH2 4.24Å; L120-W172 HydrophobicContact CB-CZ3 4.29Å; L120-L173 HydrophobicContact CB-CD2 4.25Å; L120-L173 HydrophobicContact CD1-CD2 4.4Å; L120-N176 HydrophobicContact CD1-CB 3.48Å; L120-N176 VanDerWaalsContact CD1-CB 3.48Å; L120-N176 HydrophobicContact CD2-CB 4.17Å; L120-N176 HydrophobicContact CG-CB 4.48Å; L120-L177 HydrophobicContact CD1-CD2 3.71Å; L120-L177 HydrophobicContact CD1-CG 3.67Å
121	L	98.1	Very high	96.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.5	175.6	172.4	64.9	0	0	0	110.8	L88 F90 L107 L111 V123 L148 R151 T152 W153 Y154 W172	L88-L121 HydrophobicContact CB-CD1 4.5Å; L88-L121 HydrophobicContact CD2-CD1 3.92Å; L88-L121 HydrophobicContact CG-CD1 4.03Å; F90-L121 HydrophobicContact CB-CD1 3.98Å; L107-L121 HydrophobicContact CD1-CD1 4.04Å; L107-L121 HydrophobicContact CD1-CD2 4.26Å; L111-L121 HydrophobicContact CD1-CD2 3.95Å; L121-V123 HydrophobicContact CD1-CG2 4.1Å; L121-V123 HydrophobicContact CD2-CG2 4.21Å; L121-V123 HydrophobicContact CG-CG2 4Å; L121-L148 HydrophobicContact CD2-CD1 3.55Å; L121-R151 HydrophobicContact CB-CG 4.5Å; L121-T152 PolarHBondContact N-O 2.63Å; L121-W153 HydrophobicContact CB-CB 3.88Å; L121-W153 HydrophobicContact CD2-CB 4.07Å; L121-W153 HydrophobicContact CG-CB 4.15Å; L121-W153 CarbonylContact O-C 3.51Å; L121-W153 WeakPolarHBondContact O-CA 3.47Å; L121-W153 WeakPolarHBondContact O-CB 3.03Å; L121-Y154 PolarHBondContact O-N 2.88Å; L121-W172 WeakPolarHBondContact O-CH2 3.46Å
122	L	98.4	Very high	96.7	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.9	165.1	175.4	63.7	0	0	0	108.9	L88 I89 F90 F124 Y154 Q156 G169 W172 L173	L88-L122 PolarHBondContact O-N 3.1Å; I89-L122 CarbonylContact C-O 3.55Å; I89-L122 VanDerWaalsContact CA-O 3.27Å; I89-L122 WeakPolarHBondContact CA-O 2.95Å; I89-L122 HydrophobicContact CD1-CD2 4.35Å; I89-L122 HydrophobicContact CG1-CB 4.32Å; I89-L122 HydrophobicContact CG1-CD2 4.19Å; F90-L122 PolarHBondContact N-O 3.49Å; L122-F124 HydrophobicContact CD1-CE1 4.5Å; L122-F124 HydrophobicContact CD2-CD1 4.39Å; L122-F124 HydrophobicContact CD2-CE1 3.82Å; L122-F124 HydrophobicContact CD2-CE2 4.06Å; L122-F124 HydrophobicContact CD2-CZ 3.63Å; L122-F124 HydrophobicContact CG-CD1 4.44Å; L122-F124 HydrophobicContact CG-CE1 4.32Å; L122-F124 HydrophobicContact CG-CZ 4.5Å; L122-Y154 CarbonylContact C-O 3.49Å; L122-Y154 WeakPolarHBondContact CA-O 3.13Å; L122-Y154 HydrophobicContact CD1-CD1 3.71Å; L122-Y154 HydrophobicContact CD1-CG 4.48Å; L122-Q156 HydrophobicContact CD1-CB 4.45Å; L122-G169 WeakPolarHBondContact CD2-O 3.32Å; L122-W172 HydrophobicContact CB-CE3 4.34Å; L122-W172 HydrophobicContact CB-CZ3 4.12Å; L122-W172 HydrophobicContact CD1-CE3 4.26Å; L122-L173 HydrophobicContact CB-CD1 4.13Å; L122-L173 HydrophobicContact CB-CD2 4.26Å; L122-L173 HydrophobicContact CB-CG 4.11Å; L122-L173 HydrophobicContact CD2-CD1 3.52Å; L122-L173 HydrophobicContact CD2-CG 3.92Å; L122-L173 HydrophobicContact CG-CD1 4.48Å
123	V	98.8	Very high	96.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.4	171.6	-177.7	0	0	0	0	109	F90 V92 L121 L143 L145 Y154 I155 Q156	F90-V123 HydrophobicContact CB-CG2 4.47Å; F90-V123 CarbonylContact O-C 3.39Å; F90-V123 VanDerWaalsContact O-CA 3.3Å; F90-V123 WeakPolarHBondContact O-CA 3.43Å; V92-V123 HydrophobicContact CG2-CG1 4.18Å; L121-V123 HydrophobicContact CD1-CG2 4.1Å; L121-V123 HydrophobicContact CD2-CG2 4.21Å; L121-V123 HydrophobicContact CG-CG2 4Å; V123-L143 HydrophobicContact CG1-CD1 4.08Å; V123-L145 HydrophobicContact CG2-CD1 4.05Å; V123-L145 HydrophobicContact CG2-CD2 4.28Å; V123-Y154 PolarHBondContact N-O 3.29Å; V123-I155 HydrophobicContact CB-CB 4.13Å; V123-I155 HydrophobicContact CB-CD1 4.22Å; V123-I155 HydrophobicContact CB-CG1 3.9Å; V123-I155 HydrophobicContact CG1-CD1 3.85Å; V123-I155 HydrophobicContact CG1-CG1 3.95Å; V123-I155 CarbonylContact O-C 3.58Å; V123-I155 WeakPolarHBondContact O-CA 3.4Å; V123-Q156 PolarHBondContact O-N 2.71Å
124	F	98.8	Very high	97	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	109.5	167.7	-78.7	-39	0	0	0	109.8	I33 I89 F90 V91 V92 L122 N126 Q156 T158 L166	I33-F124 HydrophobicContact CD1-CB 4.45Å; I33-F124 HydrophobicContact CD1-CD2 3.92Å; I33-F124 HydrophobicContact CD1-CG 4.49Å; I33-F124 HydrophobicContact CG2-CD2 4.49Å; I33-F124 HydrophobicContact CG2-CE2 4.18Å; I89-F124 HydrophobicContact CD1-CE2 4.31Å; I89-F124 HydrophobicContact CG2-CD2 3.42Å; I89-F124 VanDerWaalsContact CG2-CD2 3.42Å; I89-F124 HydrophobicContact CG2-CE2 3.78Å; I89-F124 HydrophobicContact CG2-CG 4.3Å; F90-F124 PolarHBondContact O-N 2.83Å; V91-F124 HydrophobicContact CG1-CB 4.37Å; V91-F124 HydrophobicContact CG2-CB 4.39Å; V91-F124 HydrophobicContact CG2-CD2 4.39Å; V92-F124 PolarHBondContact N-O 3.23Å; L122-F124 HydrophobicContact CD1-CE1 4.5Å; L122-F124 HydrophobicContact CD2-CD1 4.39Å; L122-F124 HydrophobicContact CD2-CE1 3.82Å; L122-F124 HydrophobicContact CD2-CE2 4.06Å; L122-F124 HydrophobicContact CD2-CZ 3.63Å; L122-F124 HydrophobicContact CG-CD1 4.44Å; L122-F124 HydrophobicContact CG-CE1 4.32Å; L122-F124 HydrophobicContact CG-CZ 4.5Å; F124-N126 VanDerWaalsContact C-N 3.28Å; F124-N126 PolarHBondContact O-N 3.26Å; F124-N126 VanDerWaalsContact O-N 3.08Å; F124-Q156 HydrophobicContact CD1-CB 4.08Å; F124-Q156 HydrophobicContact CD1-CG 4.47Å; F124-Q156 HydrophobicContact CE1-CB 4.19Å; F124-Q156 HydrophobicContact CE1-CG 4.29Å; F124-T158 HydrophobicContact CB-CG2 4.41Å; F124-T158 HydrophobicContact CD1-CG2 3.23Å; F124-T158 HydrophobicContact CE1-CG2 3.54Å; F124-T158 HydrophobicContact CG-CG2 3.99Å; F124-L166 HydrophobicContact CE2-CD2 4.42Å; F124-L166 HydrophobicContact CZ-CD2 4.31Å
125	A	98.8	Very high	97.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	81.7	166.2	0	0	0	0	0	108	S94 Q128 P136 L139 I155 Q156 T158	S94-A125 WeakPolarHBondContact OG-CA 3.39Å; S94-A125 PolarHBondContact OG-O 2.93Å; A125-Q128 VanDerWaalsContact O-CG 3.26Å; A125-Q128 WeakPolarHBondContact O-CG 3.42Å; A125-P136 HydrophobicContact CB-CG 4.21Å; A125-L139 HydrophobicContact CB-CD1 3.42Å; A125-L139 VanDerWaalsContact CB-CD1 3.42Å; A125-I155 HydrophobicContact CB-CD1 4.31Å; A125-I155 HydrophobicContact CB-CG1 4.29Å; A125-Q156 PolarHBondContact N-O 3.02Å; A125-T158 PolarHBondContact O-N 3.1Å
126	N	98.8	Very high	97.3	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	164.4	-170.3	-170.4	33.2	0	0	0	112.3	A28 V91 V92 S94 F124 T158 A160	A28-N126 PolarHBondContact O-ND2 3.24Å; V91-N126 HydrophobicContact CG1-CB 3.89Å; V92-N126 WeakPolarHBondContact O-CB 3.37Å; V92-N126 PolarHBondContact O-N 2.9Å; S94-N126 WeakPolarHBondContact CB-O 3.36Å; S94-N126 PolarHBondContact N-O 3.34Å; S94-N126 PolarHBondContact OG-N 2.97Å; S94-N126 PolarHBondContact OG-O 2.99Å; F124-N126 VanDerWaalsContact C-N 3.28Å; F124-N126 PolarHBondContact O-N 3.26Å; F124-N126 VanDerWaalsContact O-N 3.08Å; N126-T158 CarbonylContact C-O 3.59Å; N126-T158 WeakPolarHBondContact CA-O 3.27Å; N126-T158 VanDerWaalsContact CA-OG1 3.32Å; N126-T158 WeakPolarHBondContact CA-OG1 3.08Å; N126-T158 PolarHBondContact OD1-O 3.49Å; N126-T158 PolarHBondContact OD1-OG1 2.7Å; N126-A160 PolarHBondContact OD1-N 3.26Å
127	K	98.4	Very high	97.4	Very high	51 Å²	51	53.7 Å²	53.7	22%	0.222	28%	0.279	C	S	.	.			trans	66.9	35.8	-178.4	-44.7	-165.6	-166.9	172.2	0	114	A27 D93 D129 L130 A133 T158	A27-K127 WeakPolarHBondContact O-CE 3.36Å; A27-K127 PolarHBondContact O-NZ 3.17Å; D93-K127 WeakPolarHBondContact OD1-CD 3.24Å; D93-K127 VanDerWaalsContact OD2-CE 3.25Å; D93-K127 WeakPolarHBondContact OD2-CE 3.45Å; D93-K127 IonicContact OD2-NZ 3.7Å; D93-K127 PolarHBondContact OD2-NZ 2.81Å; K127-D129 VanDerWaalsContact CA-OD1 3.31Å; K127-D129 WeakPolarHBondContact CA-OD1 3.14Å; K127-D129 PolarHBondContact O-N 3.41Å; K127-D129 VanDerWaalsContact O-N 3.11Å; K127-L130 HydrophobicContact CB-CD1 3.84Å; K127-L130 HydrophobicContact CB-CG 4.16Å; K127-L130 HydrophobicContact CD-CD1 3.96Å; K127-L130 PolarHBondContact O-N 3.44Å; K127-L130 VanDerWaalsContact O-N 3.11Å; K127-A133 WeakPolarHBondContact O-CB 3.36Å; K127-T158 PolarHBondContact N-O 3.37Å
128	Q	98.6	Very high	97.6	Very high	61 Å²	61	50.3 Å²	50.3	29%	0.285	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-7.7	175.6	-66.7	-68.9	-66	0	0	113.8	S94 A125 L130 L134 T158	S94-Q128 PolarHBondContact OG-NE2 2.73Å; A125-Q128 VanDerWaalsContact O-CG 3.26Å; A125-Q128 WeakPolarHBondContact O-CG 3.42Å; Q128-L130 VanDerWaalsContact C-N 3.28Å; Q128-L134 PolarHBondContact NE2-O 2.9Å; Q128-T158 WeakPolarHBondContact CG-O 3.36Å; Q128-T158 PolarHBondContact N-O 2.9Å
129	D	97.7	Very high	97.9	Very high	88 Å²	88	43 Å²	43	47%	0.471	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.5	171.5	56.8	-65.4	0	0	0	113.6	K127 C159	K127-D129 VanDerWaalsContact CA-OD1 3.31Å; K127-D129 WeakPolarHBondContact CA-OD1 3.14Å; K127-D129 PolarHBondContact O-N 3.41Å; K127-D129 VanDerWaalsContact O-N 3.11Å; D129-C159 HydrophobicContact CB-CB 4.44Å; D129-C159 PolarHBondContact OD1-SG 2.91Å
130	L	97.9	Very high	98.1	Very high	59 Å²	59	43.4 Å²	43.4	31%	0.309	23%	0.233	S	C	.	.	S	Bend	trans	-86.3	145.3	-178.1	-60.6	-178.5	0	0	0	112.2	N95 K127 Q128 N132 A133	N95-L130 HydrophobicContact CB-CB 3.95Å; N95-L130 HydrophobicContact CB-CD1 3.57Å; N95-L130 HydrophobicContact CB-CG 4.4Å; N95-L130 WeakPolarHBondContact OD1-CB 3.24Å; K127-L130 HydrophobicContact CB-CD1 3.84Å; K127-L130 HydrophobicContact CB-CG 4.16Å; K127-L130 HydrophobicContact CD-CD1 3.96Å; K127-L130 PolarHBondContact O-N 3.44Å; K127-L130 VanDerWaalsContact O-N 3.11Å; Q128-L130 VanDerWaalsContact C-N 3.28Å; L130-N132 VanDerWaalsContact C-N 3.31Å; L130-N132 PolarHBondContact O-N 3.23Å; L130-A133 HydrophobicContact CB-CB 4.48Å; L130-A133 VanDerWaalsContact O-CB 3.26Å; L130-A133 WeakPolarHBondContact O-CB 3.32Å; L130-A133 PolarHBondContact O-N 3.25Å
131	P	95.9	Very high	98.1	Very high	119 Å²	119	47.5 Å²	47.5	77%	0.773	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.9	-169	24.7	-35.1	0	0	0	114.7
132	N	95.8	Very high	98.1	Very high	120 Å²	120	52.6 Å²	52.6	64%	0.642	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	17.8	-179.5	-57.2	-44.5	0	0	0	112	N95 L130 L134	N95-N132 WeakPolarHBondContact OD1-CB 3.48Å; N95-N132 PolarHBondContact OD1-N 3.13Å; L130-N132 VanDerWaalsContact C-N 3.31Å; L130-N132 PolarHBondContact O-N 3.23Å; N132-L134 PolarHBondContact O-N 2.84Å
133	A	98.3	Very high	98.1	Very high	18 Å²	18	52.6 Å²	52.6	15%	0.149	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-64.1	121.3	177.7	0	0	0	0	0	110.6	S94 N95 K127 L130 K135	S94-A133 WeakPolarHBondContact O-CA 3.43Å; N95-A133 PolarHBondContact OD1-N 3.46Å; K127-A133 WeakPolarHBondContact O-CB 3.36Å; L130-A133 HydrophobicContact CB-CB 4.48Å; L130-A133 VanDerWaalsContact O-CB 3.26Å; L130-A133 WeakPolarHBondContact O-CB 3.32Å; L130-A133 PolarHBondContact O-N 3.25Å; A133-K135 PolarHBondContact O-N 3.16Å
134	L	98.6	Very high	98.1	Very high	16 Å²	16	52.8 Å²	52.8	8%	0.084	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-59.1	132.3	170.6	-68.9	170.2	0	0	0	109.8	S94 T97 I100 Q128 N132 E138 L139 K142	S94-L134 WeakPolarHBondContact CB-O 3.39Å; S94-L134 PolarHBondContact O-N 2.83Å; T97-L134 HydrophobicContact CG2-CD1 4.02Å; T97-L134 HydrophobicContact CG2-CD2 4.44Å; T97-L134 HydrophobicContact CG2-CG 4.04Å; I100-L134 HydrophobicContact CD1-CD1 4.31Å; I100-L134 HydrophobicContact CG1-CD1 3.91Å; Q128-L134 PolarHBondContact NE2-O 2.9Å; N132-L134 PolarHBondContact O-N 2.84Å; L134-E138 HydrophobicContact CB-CB 4.34Å; L134-E138 HydrophobicContact CD2-CB 4.14Å; L134-L139 HydrophobicContact CB-CD1 4.41Å; L134-L139 HydrophobicContact CB-CD2 4.18Å; L134-L139 HydrophobicContact CB-CG 3.84Å; L134-L139 HydrophobicContact CD1-CD2 3.82Å; L134-L139 HydrophobicContact CD1-CG 4.38Å; L134-K142 HydrophobicContact CD1-CD 3.64Å; L134-K142 HydrophobicContact CD2-CD 4.35Å
135	K	98.3	Very high	98.1	Very high	131 Å²	131	52.8 Å²	52.8	57%	0.57	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-67.4	157.2	176.5	-64.2	179.2	-175.8	176.5	0	110.3	A133 T137 E138 L139	A133-K135 PolarHBondContact O-N 3.16Å; K135-T137 PolarHBondContact O-N 2.82Å; K135-T137 VanDerWaalsContact O-N 3.1Å; K135-E138 HydrophobicContact CB-CG 4.44Å; K135-E138 WeakPolarHBondContact CB-OE2 3.36Å; K135-E138 PolarHBondContact N-OE2 3.33Å; K135-E138 PolarHBondContact O-N 2.68Å; K135-L139 PolarHBondContact O-N 2.93Å
136	P	98.6	Very high	98	Very high	35 Å²	35	58.5 Å²	58.5	23%	0.227	31%	0.306	C	S	.	.	H	α-helix	trans	-51.2	-36.4	175.1	-30.4	37.3	0	0	0	113.7	A125 L139 T140 I155	A125-P136 HydrophobicContact CB-CG 4.21Å; P136-L139 PolarHBondContact O-N 3.25Å; P136-T140 WeakPolarHBondContact O-CB 3.26Å; P136-T140 PolarHBondContact O-N 3.26Å; P136-T140 PolarHBondContact O-OG1 3.29Å; P136-I155 HydrophobicContact CB-CD1 4.4Å; P136-I155 HydrophobicContact CB-CG1 4.22Å; P136-I155 HydrophobicContact CB-CG2 4.32Å
137	T	98	Very high	97.9	Very high	95 Å²	95	64 Å²	64	58%	0.583	33%	0.332	S	S	*	.	H	α-helix	trans	-63.1	-45.6	176	50.9	0	0	0	0	112.1	K135 L139 T140 D141	K135-T137 PolarHBondContact O-N 2.82Å; K135-T137 VanDerWaalsContact O-N 3.1Å; T137-L139 PolarHBondContact O-N 2.94Å; T137-T140 VanDerWaalsContact O-CB 3.31Å; T137-T140 WeakPolarHBondContact O-CB 3.35Å; T137-T140 PolarHBondContact O-N 3.39Å; T137-D141 PolarHBondContact O-N 2.87Å
138	E	98.3	Very high	97.7	Very high	81 Å²	81	62.6 Å²	62.6	38%	0.379	33%	0.326	S	S	.	.	H	α-helix	trans	-68.4	-37.4	179.6	-61.7	173.2	100.3	0	0	111.7	L134 K135 T140 D141 K142	L134-E138 HydrophobicContact CB-CB 4.34Å; L134-E138 HydrophobicContact CD2-CB 4.14Å; K135-E138 HydrophobicContact CB-CG 4.44Å; K135-E138 WeakPolarHBondContact CB-OE2 3.36Å; K135-E138 PolarHBondContact N-OE2 3.33Å; K135-E138 PolarHBondContact O-N 2.68Å; E138-T140 VanDerWaalsContact C-N 3.33Å; E138-D141 PolarHBondContact O-N 2.88Å; E138-K142 WeakPolarHBondContact O-CB 3.42Å; E138-K142 WeakPolarHBondContact O-CG 3.22Å; E138-K142 PolarHBondContact O-N 2.83Å
139	L	98.3	Very high	97.4	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-67.2	-34.6	173.3	-78.7	174.4	0	0	0	112.3	V92 S94 I100 A125 L134 K135 P136 T137 D141 K142 L143 I155	V92-L139 HydrophobicContact CG1-CD1 4.39Å; V92-L139 HydrophobicContact CG1-CD2 4.03Å; S94-L139 WeakPolarHBondContact OG-CD1 3.44Å; I100-L139 HydrophobicContact CD1-CD2 3.61Å; I100-L139 HydrophobicContact CG1-CD2 4.26Å; I100-L139 HydrophobicContact CG2-CD2 4.25Å; A125-L139 HydrophobicContact CB-CD1 3.42Å; A125-L139 VanDerWaalsContact CB-CD1 3.42Å; L134-L139 HydrophobicContact CB-CD1 4.41Å; L134-L139 HydrophobicContact CB-CD2 4.18Å; L134-L139 HydrophobicContact CB-CG 3.84Å; L134-L139 HydrophobicContact CD1-CD2 3.82Å; L134-L139 HydrophobicContact CD1-CG 4.38Å; K135-L139 PolarHBondContact O-N 2.93Å; P136-L139 PolarHBondContact O-N 3.25Å; T137-L139 PolarHBondContact O-N 2.94Å; L139-D141 VanDerWaalsContact C-N 3.29Å; L139-D141 PolarHBondContact O-N 3.37Å; L139-K142 PolarHBondContact O-N 2.98Å; L139-L143 HydrophobicContact CB-CD1 4.41Å; L139-L143 WeakPolarHBondContact O-CB 3.26Å; L139-L143 VanDerWaalsContact O-CG 3.24Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 3.02Å; L139-I155 HydrophobicContact CB-CD1 3.94Å
140	T	98.5	Very high	97.1	Very high	12 Å²	12	74.1 Å²	74.1	7%	0.074	37%	0.373	C	S	.	.	H	α-helix	trans	-57.3	-46.9	174.8	-57.5	0	0	0	0	110.5	P136 T137 E138 G144 L145 H146 W153	P136-T140 WeakPolarHBondContact O-CB 3.26Å; P136-T140 PolarHBondContact O-N 3.26Å; P136-T140 PolarHBondContact O-OG1 3.29Å; T137-T140 VanDerWaalsContact O-CB 3.31Å; T137-T140 WeakPolarHBondContact O-CB 3.35Å; T137-T140 PolarHBondContact O-N 3.39Å; E138-T140 VanDerWaalsContact C-N 3.33Å; T140-G144 PolarHBondContact O-N 3Å; T140-L145 HydrophobicContact CG2-CB 4.02Å; T140-L145 HydrophobicContact CG2-CD1 4.38Å; T140-L145 PolarHBondContact O-N 3.49Å; T140-H146 WeakPolarHBondContact CG2-NE2 3.44Å; T140-W153 HydrophobicContact CG2-CH2 3.78Å; T140-W153 HydrophobicContact CG2-CZ3 4.32Å
141	D	98.2	Very high	96.9	Very high	109 Å²	109	72.9 Å²	72.9	58%	0.583	37%	0.365	S	S	*	.	H	α-helix	trans	-67	-50.9	178	-67.7	-36.2	0	0	0	111.7	T137 E138 L139 L143 G144 H146	T137-D141 PolarHBondContact O-N 2.87Å; E138-D141 PolarHBondContact O-N 2.88Å; L139-D141 VanDerWaalsContact C-N 3.29Å; L139-D141 PolarHBondContact O-N 3.37Å; D141-L143 PolarHBondContact O-N 3.11Å; D141-G144 WeakPolarHBondContact O-CA 3.35Å; D141-G144 PolarHBondContact O-N 3.34Å; D141-H146 IonicContact OD1-CD2 3.59Å; D141-H146 IonicContact OD1-NE2 3.79Å
142	K	98.2	Very high	96.9	Very high	106 Å²	106	70.9 Å²	70.9	46%	0.461	35%	0.35	S	S	.	.	H	α-helix	trans	-66.2	-39.6	-175.6	-75.4	173.7	174.6	-75.7	0	113.1	I100 L134 E138 L139	I100-K142 HydrophobicContact CG2-CB 3.66Å; I100-K142 HydrophobicContact CG2-CD 4.33Å; L134-K142 HydrophobicContact CD1-CD 3.64Å; L134-K142 HydrophobicContact CD2-CD 4.35Å; E138-K142 WeakPolarHBondContact O-CB 3.42Å; E138-K142 WeakPolarHBondContact O-CG 3.22Å; E138-K142 PolarHBondContact O-N 2.83Å; L139-K142 PolarHBondContact O-N 2.98Å
143	L	98.4	Very high	97	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-73.5	-19.7	173	-63.6	171.6	0	0	0	111.2	V92 I100 A103 K104 F108 V123 L139 D141 L145	V92-L143 HydrophobicContact CG2-CD1 4.07Å; I100-L143 HydrophobicContact CG2-CD2 4.14Å; A103-L143 HydrophobicContact CB-CD2 4.35Å; K104-L143 HydrophobicContact CB-CD2 4.11Å; K104-L143 WeakPolarHBondContact CG-O 3.45Å; F108-L143 WeakPolarHBondContact CE2-O 3.44Å; V123-L143 HydrophobicContact CG1-CD1 4.08Å; L139-L143 HydrophobicContact CB-CD1 4.41Å; L139-L143 WeakPolarHBondContact O-CB 3.26Å; L139-L143 VanDerWaalsContact O-CG 3.24Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 3.02Å; D141-L143 PolarHBondContact O-N 3.11Å; L143-L145 HydrophobicContact CB-CD2 3.87Å; L143-L145 HydrophobicContact CB-CG 4Å; L143-L145 HydrophobicContact CD1-CD2 4.39Å
144	G	98	Very high	97	Very high	5 Å²	5	71.5 Å²	71.5	5%	0.052	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	32.8	-178.8	0	0	0	0	0	113.1	T140 D141 H146 Q147	T140-G144 PolarHBondContact O-N 3Å; D141-G144 WeakPolarHBondContact O-CA 3.35Å; D141-G144 PolarHBondContact O-N 3.34Å; G144-H146 PolarHBondContact O-N 3.03Å; G144-H146 VanDerWaalsContact O-N 3.15Å; G144-Q147 VanDerWaalsContact O-CB 3.29Å; G144-Q147 WeakPolarHBondContact O-CB 3.26Å; G144-Q147 WeakPolarHBondContact O-CG 3.28Å; G144-Q147 PolarHBondContact O-N 3.26Å
145	L	98.1	Very high	97	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-60.7	-26.8	-176.9	-57.2	-175.8	0	0	0	112.6	L107 V123 T140 L143 Q147 L148 W153 I155	L107-L145 HydrophobicContact CD2-CD2 3.76Å; V123-L145 HydrophobicContact CG2-CD1 4.05Å; V123-L145 HydrophobicContact CG2-CD2 4.28Å; T140-L145 HydrophobicContact CG2-CB 4.02Å; T140-L145 HydrophobicContact CG2-CD1 4.38Å; T140-L145 PolarHBondContact O-N 3.49Å; L143-L145 HydrophobicContact CB-CD2 3.87Å; L143-L145 HydrophobicContact CB-CG 4Å; L143-L145 HydrophobicContact CD1-CD2 4.39Å; L145-Q147 PolarHBondContact O-N 2.91Å; L145-L148 HydrophobicContact CD2-CD1 4.11Å; L145-L148 WeakPolarHBondContact O-CB 3.3Å; L145-L148 PolarHBondContact O-N 2.85Å; L145-W153 HydrophobicContact CB-CD2 4.29Å; L145-W153 HydrophobicContact CB-CE3 4.27Å; L145-W153 HydrophobicContact CB-CH2 4.02Å; L145-W153 HydrophobicContact CB-CZ2 4Å; L145-W153 HydrophobicContact CB-CZ3 4.15Å; L145-W153 HydrophobicContact CD1-CE3 4Å; L145-W153 HydrophobicContact CD1-CZ3 3.92Å; L145-W153 PolarHBondContact O-NE1 3.47Å; L145-I155 HydrophobicContact CD1-CB 4.27Å; L145-I155 HydrophobicContact CD1-CD1 4.04Å
146	H	96.9	Very high	97.1	Very high	119 Å²	119	67 Å²	67	55%	0.551	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-58.4	-18.3	172.7	-65	-55.5	0	0	0	114.3	T140 D141 G144 L148	T140-H146 WeakPolarHBondContact CG2-NE2 3.44Å; D141-H146 IonicContact OD1-CD2 3.59Å; D141-H146 IonicContact OD1-NE2 3.79Å; G144-H146 PolarHBondContact O-N 3.03Å; G144-H146 VanDerWaalsContact O-N 3.15Å; H146-L148 VanDerWaalsContact C-N 3.3Å
147	Q	96.3	Very high	97.1	Very high	119 Å²	119	65.9 Å²	65.9	56%	0.556	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-77.9	-17.2	176.9	-57.4	179.4	43.1	0	0	112.3	F108 G144 L145 R149	F108-Q147 HydrophobicContact CE1-CB 4.3Å; F108-Q147 HydrophobicContact CZ-CB 4.23Å; G144-Q147 VanDerWaalsContact O-CB 3.29Å; G144-Q147 WeakPolarHBondContact O-CB 3.26Å; G144-Q147 WeakPolarHBondContact O-CG 3.28Å; G144-Q147 PolarHBondContact O-N 3.26Å; L145-Q147 PolarHBondContact O-N 2.91Å; Q147-R149 VanDerWaalsContact C-N 3.27Å; Q147-R149 PolarHBondContact O-N 2.91Å
148	L	95.5	Very high	97.1	Very high	21 Å²	21	61.4 Å²	61.4	11%	0.11	29%	0.289	C	S	.	.			trans	-80.9	63.7	-177.5	-57.1	178.3	0	0	0	112	F108 L111 L121 L145 H146 N150 R151	F108-L148 HydrophobicContact CE1-CD2 3.96Å; F108-L148 HydrophobicContact CZ-CD2 4.01Å; F108-L148 HydrophobicContact CZ-CG 4.39Å; L111-L148 HydrophobicContact CD1-CD1 3.71Å; L111-L148 HydrophobicContact CD1-CD2 3.67Å; L111-L148 HydrophobicContact CD1-CG 4.36Å; L121-L148 HydrophobicContact CD2-CD1 3.55Å; L145-L148 HydrophobicContact CD2-CD1 4.11Å; L145-L148 WeakPolarHBondContact O-CB 3.3Å; L145-L148 PolarHBondContact O-N 2.85Å; H146-L148 VanDerWaalsContact C-N 3.3Å; L148-N150 PolarHBondContact O-N 3.34Å; L148-R151 HydrophobicContact CB-CB 4.45Å
149	R	90.9	Very high	97.1	Very high	223 Å²	223	57.8 Å²	57.8	84%	0.842	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-30.9	-173.5	-64.1	-174.7	-179.8	-175.8	0.6	114.9	Q147	Q147-R149 VanDerWaalsContact C-N 3.27Å; Q147-R149 PolarHBondContact O-N 2.91Å
150	N	91.5	Very high	97	Very high	168 Å²	168	58 Å²	58	90%	0.898	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	23.2	-173.6	-62.7	-19	0	0	0	112.5	L148	L148-N150 PolarHBondContact O-N 3.34Å
151	R	94.7	Very high	96.9	Very high	34 Å²	34	60.9 Å²	60.9	13%	0.128	29%	0.292	C	S	.	.	S	Bend	trans	-137.2	132	-177.5	-176.3	175.8	-64.8	-81.7	8	109.8	L111 L116 R117 T119 L121 L148 W153	L111-R151 PolarHBondContact O-NH2 2.78Å; L116-R151 PolarHBondContact O-NH1 2.67Å; L116-R151 PolarHBondContact O-NH2 3.31Å; R117-R151 PolarHBondContact O-NH1 2.65Å; R117-R151 PolarHBondContact O-NH2 3.32Å; T119-R151 PolarHBondContact O-NH1 3.46Å; T119-R151 PolarHBondContact OG1-NH1 3.48Å; T119-R151 VanDerWaalsContact OG1-NH1 3.12Å; L121-R151 HydrophobicContact CB-CG 4.5Å; L148-R151 HydrophobicContact CB-CB 4.45Å; R151-W153 VanDerWaalsContact O-CD1 3.29Å; R151-W153 PolarHBondContact O-N 3.32Å
152	T	96.4	Very high	96.7	Very high	76 Å²	76	60 Å²	60	47%	0.466	29%	0.287	S	S	.	.			trans	-74.3	118.5	170.8	-58.1	0	0	0	0	108.9	L120 L121 W172	L120-T152 HydrophobicContact CD2-CG2 3.73Å; L121-T152 PolarHBondContact N-O 2.63Å; T152-W172 HydrophobicContact CG2-CH2 4.12Å; T152-W172 HydrophobicContact CG2-CZ2 3.69Å
153	W	97.9	Very high	96.5	Very high	70 Å²	70	56 Å²	56	27%	0.265	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	157.2	179.9	66.1	-96.6	0	0	0	112.4	L121 T140 L145 R151 I155 W172	L121-W153 HydrophobicContact CB-CB 3.88Å; L121-W153 HydrophobicContact CD2-CB 4.07Å; L121-W153 HydrophobicContact CG-CB 4.15Å; L121-W153 CarbonylContact O-C 3.51Å; L121-W153 WeakPolarHBondContact O-CA 3.47Å; L121-W153 WeakPolarHBondContact O-CB 3.03Å; T140-W153 HydrophobicContact CG2-CH2 3.78Å; T140-W153 HydrophobicContact CG2-CZ3 4.32Å; L145-W153 HydrophobicContact CB-CD2 4.29Å; L145-W153 HydrophobicContact CB-CE3 4.27Å; L145-W153 HydrophobicContact CB-CH2 4.02Å; L145-W153 HydrophobicContact CB-CZ2 4Å; L145-W153 HydrophobicContact CB-CZ3 4.15Å; L145-W153 HydrophobicContact CD1-CE3 4Å; L145-W153 HydrophobicContact CD1-CZ3 3.92Å; L145-W153 PolarHBondContact O-NE1 3.47Å; R151-W153 VanDerWaalsContact O-CD1 3.29Å; R151-W153 PolarHBondContact O-N 3.32Å; W153-I155 HydrophobicContact CZ3-CB 4.47Å; W153-I155 HydrophobicContact CZ3-CG2 4.08Å; W153-W172 VanDerWaalsContact C-CZ2 3.47Å
154	Y	98.4	Very high	96.5	Very high	81 Å²	81	59.3 Å²	59.3	32%	0.318	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.4	171.5	178.9	-120.1	0	0	0	110	L121 L122 V123 Q156 W172	L121-Y154 PolarHBondContact O-N 2.88Å; L122-Y154 CarbonylContact C-O 3.49Å; L122-Y154 WeakPolarHBondContact CA-O 3.13Å; L122-Y154 HydrophobicContact CD1-CD1 3.71Å; L122-Y154 HydrophobicContact CD1-CG 4.48Å; V123-Y154 PolarHBondContact N-O 3.29Å; Y154-Q156 HydrophobicContact CD1-CB 4.33Å; Y154-Q156 HydrophobicContact CE1-CB 3.78Å; Y154-Q156 HydrophobicContact CE1-CG 4.39Å; Y154-Q156 PolarHBondContact OH-OE1 3.39Å; Y154-W172 VanDerWaalsContact CB-CZ2 3.5Å; Y154-W172 HydrophobicContact CD1-CB 3.79Å; Y154-W172 AromaticContact CD1-CD2 3.99Å; Y154-W172 HydrophobicContact CD1-CD2 3.99Å; Y154-W172 HydrophobicContact CD1-CE3 4.47Å; Y154-W172 AromaticContact CD1-CG 3.64Å; Y154-W172 HydrophobicContact CD1-CG 3.64Å; Y154-W172 HydrophobicContact CE1-CB 4.19Å; Y154-W172 HydrophobicContact CE1-CG 4.4Å; Y154-W172 HydrophobicContact CG-CB 4.45Å; Y154-W172 AromaticContact CG-CD1 3.81Å; Y154-W172 AromaticContact CG-CD2 3.94Å; Y154-W172 HydrophobicContact CG-CD2 3.94Å; Y154-W172 AromaticContact CG-CG 3.82Å; Y154-W172 HydrophobicContact CG-CG 3.82Å; Y154-W172 AromaticContact CG-NE1 3.93Å
155	I	98.7	Very high	96.4	Very high	19 Å²	19	59.1 Å²	59.1	10%	0.097	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.2	174	-172.6	165.1	0	0	0	109.4	V123 A125 P136 L139 L145 W153	V123-I155 HydrophobicContact CB-CB 4.13Å; V123-I155 HydrophobicContact CB-CD1 4.22Å; V123-I155 HydrophobicContact CB-CG1 3.9Å; V123-I155 HydrophobicContact CG1-CD1 3.85Å; V123-I155 HydrophobicContact CG1-CG1 3.95Å; V123-I155 CarbonylContact O-C 3.58Å; V123-I155 WeakPolarHBondContact O-CA 3.4Å; A125-I155 HydrophobicContact CB-CD1 4.31Å; A125-I155 HydrophobicContact CB-CG1 4.29Å; P136-I155 HydrophobicContact CB-CD1 4.4Å; P136-I155 HydrophobicContact CB-CG1 4.22Å; P136-I155 HydrophobicContact CB-CG2 4.32Å; L139-I155 HydrophobicContact CB-CD1 3.94Å; L145-I155 HydrophobicContact CD1-CB 4.27Å; L145-I155 HydrophobicContact CD1-CD1 4.04Å; W153-I155 HydrophobicContact CZ3-CB 4.47Å; W153-I155 HydrophobicContact CZ3-CG2 4.08Å
156	Q	98.8	Very high	96.4	Very high	33 Å²	33	59.1 Å²	59.1	15%	0.154	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.2	-178.9	-179	56.3	60.7	0	0	109.3	L122 V123 F124 A125 Y154 T158 G165 E168	L122-Q156 HydrophobicContact CD1-CB 4.45Å; V123-Q156 PolarHBondContact O-N 2.71Å; F124-Q156 HydrophobicContact CD1-CB 4.08Å; F124-Q156 HydrophobicContact CD1-CG 4.47Å; F124-Q156 HydrophobicContact CE1-CB 4.19Å; F124-Q156 HydrophobicContact CE1-CG 4.29Å; A125-Q156 PolarHBondContact N-O 3.02Å; Y154-Q156 HydrophobicContact CD1-CB 4.33Å; Y154-Q156 HydrophobicContact CE1-CB 3.78Å; Y154-Q156 HydrophobicContact CE1-CG 4.39Å; Y154-Q156 PolarHBondContact OH-OE1 3.39Å; Q156-T158 HydrophobicContact CB-CG2 4.46Å; Q156-T158 HydrophobicContact CG-CG2 3.93Å; Q156-G165 WeakPolarHBondContact CG-O 3.14Å; Q156-E168 HydrophobicContact CG-CB 4.38Å
157	G	98.7	Very high	96.3	Very high	13 Å²	13	57.5 Å²	57.5	13%	0.134	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	130.3	168.8	0	0	0	0	0	109.7
158	T	98.7	Very high	96.3	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	28%	0.281	C	S	.	.			trans	-138	156	-176.3	60.1	0	0	0	0	114	F124 A125 N126 K127 Q128 Q156 S164 L166	F124-T158 HydrophobicContact CB-CG2 4.41Å; F124-T158 HydrophobicContact CD1-CG2 3.23Å; F124-T158 HydrophobicContact CE1-CG2 3.54Å; F124-T158 HydrophobicContact CG-CG2 3.99Å; A125-T158 PolarHBondContact O-N 3.1Å; N126-T158 CarbonylContact C-O 3.59Å; N126-T158 WeakPolarHBondContact CA-O 3.27Å; N126-T158 VanDerWaalsContact CA-OG1 3.32Å; N126-T158 WeakPolarHBondContact CA-OG1 3.08Å; N126-T158 PolarHBondContact OD1-O 3.49Å; N126-T158 PolarHBondContact OD1-OG1 2.7Å; K127-T158 PolarHBondContact N-O 3.37Å; Q128-T158 WeakPolarHBondContact CG-O 3.36Å; Q128-T158 PolarHBondContact N-O 2.9Å; Q156-T158 HydrophobicContact CB-CG2 4.46Å; Q156-T158 HydrophobicContact CG-CG2 3.93Å; T158-S164 WeakPolarHBondContact CA-O 3.49Å; T158-S164 WeakPolarHBondContact CB-O 3.17Å; T158-L166 HydrophobicContact CG2-CD2 3.93Å
159	C	98.1	Very high	96.3	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.027	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-131.2	103.2	165.8	173.4	0	0	0	0	108.3	D129 T161 N162 S163 S164	D129-C159 HydrophobicContact CB-CB 4.44Å; D129-C159 PolarHBondContact OD1-SG 2.91Å; C159-T161 PolarHBondContact O-N 3.12Å; C159-T161 PolarHBondContact SG-OG1 2.87Å; C159-N162 WeakPolarHBondContact CB-OD1 3.42Å; C159-N162 PolarHBondContact O-N 2.83Å; C159-N162 PolarHBondContact O-OD1 3.41Å; C159-N162 PolarHBondContact SG-ND2 3.35Å; C159-N162 VanDerWaalsContact SG-ND2 3.36Å; C159-N162 PolarHBondContact SG-OD1 3.35Å; C159-N162 VanDerWaalsContact SG-OD1 3.39Å; C159-S163 PolarHBondContact O-N 3.32Å; C159-S164 PolarHBondContact N-O 2.65Å; C159-S164 PolarHBondContact O-N 2.95Å
160	A	96.8	Very high	96.4	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.033	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30	-176.5	0	0	0	0	0	113.3	T32 I33 R36 N126	T32-A160 HydrophobicContact CG2-CB 3.79Å; I33-A160 HydrophobicContact CD1-CB 4.47Å; I33-A160 HydrophobicContact CG1-CB 3.52Å; R36-A160 VanDerWaalsContact CG-O 3.3Å; R36-A160 WeakPolarHBondContact CG-O 3.45Å; N126-A160 PolarHBondContact OD1-N 3.26Å
161	T	94.9	Very high	96.6	Very high	73 Å²	73	38.9 Å²	38.9	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-24.8	-176.3	53.6	0	0	0	0	113.3	V42 C159	V42-T161 HydrophobicContact CG1-CG2 4.33Å; V42-T161 WeakPolarHBondContact CG2-O 3.43Å; C159-T161 PolarHBondContact O-N 3.12Å; C159-T161 PolarHBondContact SG-OG1 2.87Å
162	N	94.4	Very high	96.6	Very high	90 Å²	90	39.1 Å²	39.1	48%	0.481	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	5.2	178.6	70	20.9	0	0	0	114.1	C159 S164	C159-N162 WeakPolarHBondContact CB-OD1 3.42Å; C159-N162 PolarHBondContact O-N 2.83Å; C159-N162 PolarHBondContact O-OD1 3.41Å; C159-N162 PolarHBondContact SG-ND2 3.35Å; C159-N162 VanDerWaalsContact SG-ND2 3.36Å; C159-N162 PolarHBondContact SG-OD1 3.35Å; C159-N162 VanDerWaalsContact SG-OD1 3.39Å; N162-S164 PolarHBondContact O-N 3.41Å; N162-S164 WeakPolarHBondContact OD1-CB 3.25Å; N162-S164 PolarHBondContact OD1-N 2.6Å
163	S	94.8	Very high	96.5	Very high	22 Å²	22	35.5 Å²	35.5	15%	0.154	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	0.1	-175.2	-52.2	0	0	0	0	116.8	R36 C159 G165 L166	R36-S163 WeakPolarHBondContact CG-OG 3.4Å; R36-S163 VanDerWaalsContact CZ-OG 3.3Å; R36-S163 PolarHBondContact NE-OG 2.78Å; R36-S163 PolarHBondContact NH2-OG 3.14Å; R36-S163 VanDerWaalsContact NH2-OG 3.12Å; C159-S163 PolarHBondContact O-N 3.32Å; S163-G165 PolarHBondContact O-N 3.09Å; S163-L166 PolarHBondContact O-N 3.1Å
164	S	97.3	Very high	96.2	Very high	70 Å²	70	32.7 Å²	32.7	49%	0.49	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-58.5	131	-177.7	-176.8	0	0	0	0	110.6	T158 C159 N162 L166	T158-S164 WeakPolarHBondContact CA-O 3.49Å; T158-S164 WeakPolarHBondContact CB-O 3.17Å; C159-S164 PolarHBondContact N-O 2.65Å; C159-S164 PolarHBondContact O-N 2.95Å; N162-S164 PolarHBondContact O-N 3.41Å; N162-S164 WeakPolarHBondContact OD1-CB 3.25Å; N162-S164 PolarHBondContact OD1-N 2.6Å; S164-L166 PolarHBondContact O-N 3.46Å
165	G	97.7	Very high	95.8	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.021	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-11.9	178.3	0	0	0	0	0	115.7	Q156 S163 E168 G169	Q156-G165 WeakPolarHBondContact CG-O 3.14Å; S163-G165 PolarHBondContact O-N 3.09Å; G165-E168 WeakPolarHBondContact CA-OE2 3.43Å; G165-E168 PolarHBondContact N-OE2 2.82Å; G165-G169 PolarHBondContact O-N 2.92Å
166	L	96.6	Very high	95.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-44.7	-175.6	-63.6	-173.5	0	0	0	111.4	I33 R36 L37 F124 T158 S163 S164 G169 L170	I33-L166 HydrophobicContact CD1-CD2 4.31Å; I33-L166 HydrophobicContact CG1-CD2 3.98Å; I33-L166 HydrophobicContact CG2-CD2 4.04Å; R36-L166 HydrophobicContact CB-CD1 4.12Å; R36-L166 HydrophobicContact CG-CD1 3.82Å; L37-L166 HydrophobicContact CD2-CB 4.12Å; L37-L166 HydrophobicContact CD2-CD1 4.32Å; L37-L166 HydrophobicContact CG-CD1 4.45Å; F124-L166 HydrophobicContact CE2-CD2 4.42Å; F124-L166 HydrophobicContact CZ-CD2 4.31Å; T158-L166 HydrophobicContact CG2-CD2 3.93Å; S163-L166 PolarHBondContact O-N 3.1Å; S164-L166 PolarHBondContact O-N 3.46Å; L166-G169 PolarHBondContact O-N 3.34Å; L166-L170 PolarHBondContact O-N 3.02Å; L166-L170 VanDerWaalsContact O-N 3.1Å
167	F	94.8	Very high	95	Very high	85 Å²	85	36.6 Å²	36.6	37%	0.373	20%	0.197	S	C	.	.	H	α-helix	trans	-73.6	-32	-176.1	-63.7	-66.5	0	0	0	112	L37 Y58 G169 L170 D171	L37-F167 HydrophobicContact CD2-CD1 4.49Å; L37-F167 HydrophobicContact CD2-CE1 4.15Å; Y58-F167 HydrophobicContact CD2-CD1 4.09Å; Y58-F167 HydrophobicContact CD2-CE1 4.36Å; Y58-F167 AromaticContact CE2-CD1 3.43Å; Y58-F167 HydrophobicContact CE2-CD1 3.43Å; Y58-F167 VanDerWaalsContact CE2-CD1 3.43Å; Y58-F167 HydrophobicContact CE2-CE1 4.04Å; Y58-F167 HydrophobicContact CE2-CG 4.38Å; F167-G169 VanDerWaalsContact C-N 3.34Å; F167-L170 PolarHBondContact O-N 3.48Å; F167-D171 WeakPolarHBondContact O-CB 3.3Å; F167-D171 PolarHBondContact O-N 3.11Å
168	E	96.6	Very high	93.6	Very high	99 Å²	99	37.9 Å²	37.9	46%	0.463	21%	0.21	S	C	.	.	H	α-helix	trans	-63.4	-40.9	173.7	-64.9	86.2	159.9	0	0	111.2	Q156 G165 D171 W172	Q156-E168 HydrophobicContact CG-CB 4.38Å; G165-E168 WeakPolarHBondContact CA-OE2 3.43Å; G165-E168 PolarHBondContact N-OE2 2.82Å; E168-D171 PolarHBondContact O-N 2.91Å; E168-W172 PolarHBondContact O-N 2.64Å; E168-W172 VanDerWaalsContact O-N 3.13Å
169	G	96.4	Very high	91.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.1	-42.5	173.1	0	0	0	0	0	112.8	L122 G165 L166 F167 D171 W172 L173	L122-G169 WeakPolarHBondContact CD2-O 3.32Å; G165-G169 PolarHBondContact O-N 2.92Å; L166-G169 PolarHBondContact O-N 3.34Å; F167-G169 VanDerWaalsContact C-N 3.34Å; G169-D171 VanDerWaalsContact C-N 3.34Å; G169-W172 PolarHBondContact O-N 3.23Å; G169-L173 PolarHBondContact O-N 3.39Å; G169-L173 VanDerWaalsContact O-N 3.08Å
170	L	93.3	Very high	88.4	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-36	175.4	-70.4	-173	0	0	0	112.5	L37 Y58 F63 L166 F167 W172 L173 C174	L37-L170 HydrophobicContact CD1-CD1 3.97Å; L37-L170 HydrophobicContact CD1-CD2 4.48Å; L37-L170 HydrophobicContact CD2-CD1 3.51Å; L37-L170 HydrophobicContact CD2-CG 4.44Å; L37-L170 HydrophobicContact CG-CD1 4.33Å; Y58-L170 HydrophobicContact CD1-CB 3.87Å; Y58-L170 HydrophobicContact CD1-CD1 4.29Å; Y58-L170 HydrophobicContact CD2-CD1 4.42Å; Y58-L170 HydrophobicContact CE1-CB 3.82Å; Y58-L170 HydrophobicContact CG-CD1 4.13Å; F63-L170 HydrophobicContact CE2-CD2 4.41Å; L166-L170 PolarHBondContact O-N 3.02Å; L166-L170 VanDerWaalsContact O-N 3.1Å; F167-L170 PolarHBondContact O-N 3.48Å; L170-W172 VanDerWaalsContact C-N 3.33Å; L170-W172 PolarHBondContact O-N 3.17Å; L170-L173 HydrophobicContact CD2-CD1 4.22Å; L170-L173 WeakPolarHBondContact O-CB 3.35Å; L170-L173 PolarHBondContact O-N 3.12Å; L170-C174 WeakPolarHBondContact O-CB 3.31Å; L170-C174 PolarHBondContact O-N 3.01Å; L170-C174 PolarHBondContact O-SG 3.23Å; L170-C174 VanDerWaalsContact O-SG 3.38Å
171	D	94.1	Very high	85.3	Confident	36 Å²	36	60.6 Å²	60.6	19%	0.193	33%	0.334	C	S	.	.	H	α-helix	trans	-59.6	-45.3	174.2	-89.1	-11.8	0	0	0	111.4	Y58 R59 F167 E168 G169 C174 Q175	Y58-D171 WeakPolarHBondContact CE1-OD1 3.17Å; Y58-D171 PolarHBondContact OH-OD1 3.11Å; R59-D171 IonicContact CZ-OD1 2.63Å; R59-D171 IonicContact CZ-OD2 2.7Å; R59-D171 IonicContact NE-OD1 3.49Å; R59-D171 PolarHBondContact NE-OD1 3.09Å; R59-D171 IonicContact NH2-OD1 2.71Å; R59-D171 PolarHBondContact NH2-OD1 3.19Å; R59-D171 IonicContact NH2-OD2 3.64Å; R59-D171 PolarHBondContact NH2-OD2 2.87Å; F167-D171 WeakPolarHBondContact O-CB 3.3Å; F167-D171 PolarHBondContact O-N 3.11Å; E168-D171 PolarHBondContact O-N 2.91Å; G169-D171 VanDerWaalsContact C-N 3.34Å; D171-C174 PolarHBondContact O-N 3.14Å; D171-Q175 WeakPolarHBondContact O-CB 3.49Å; D171-Q175 WeakPolarHBondContact O-CG 3.21Å; D171-Q175 PolarHBondContact O-N 3.27Å
172	W	95.7	Very high	84.8	Confident	38 Å²	38	60 Å²	60	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-44.2	174.5	179.4	89.7	0	0	0	111.9	L120 L121 L122 T152 W153 Y154 E168 G169 L170 Q175 N176	L120-W172 HydrophobicContact CB-CH2 4.24Å; L120-W172 HydrophobicContact CB-CZ3 4.29Å; L121-W172 WeakPolarHBondContact O-CH2 3.46Å; L122-W172 HydrophobicContact CB-CE3 4.34Å; L122-W172 HydrophobicContact CB-CZ3 4.12Å; L122-W172 HydrophobicContact CD1-CE3 4.26Å; T152-W172 HydrophobicContact CG2-CH2 4.12Å; T152-W172 HydrophobicContact CG2-CZ2 3.69Å; W153-W172 VanDerWaalsContact C-CZ2 3.47Å; Y154-W172 VanDerWaalsContact CB-CZ2 3.5Å; Y154-W172 HydrophobicContact CD1-CB 3.79Å; Y154-W172 AromaticContact CD1-CD2 3.99Å; Y154-W172 HydrophobicContact CD1-CD2 3.99Å; Y154-W172 HydrophobicContact CD1-CE3 4.47Å; Y154-W172 AromaticContact CD1-CG 3.64Å; Y154-W172 HydrophobicContact CD1-CG 3.64Å; Y154-W172 HydrophobicContact CE1-CB 4.19Å; Y154-W172 HydrophobicContact CE1-CG 4.4Å; Y154-W172 HydrophobicContact CG-CB 4.45Å; Y154-W172 AromaticContact CG-CD1 3.81Å; Y154-W172 AromaticContact CG-CD2 3.94Å; Y154-W172 HydrophobicContact CG-CD2 3.94Å; Y154-W172 AromaticContact CG-CG 3.82Å; Y154-W172 HydrophobicContact CG-CG 3.82Å; Y154-W172 AromaticContact CG-NE1 3.93Å; E168-W172 PolarHBondContact O-N 2.64Å; E168-W172 VanDerWaalsContact O-N 3.13Å; G169-W172 PolarHBondContact O-N 3.23Å; L170-W172 VanDerWaalsContact C-N 3.33Å; L170-W172 PolarHBondContact O-N 3.17Å; W172-Q175 PolarHBondContact O-N 2.8Å; W172-N176 PolarHBondContact NE1-ND2 3.36Å; W172-N176 PolarHBondContact O-N 2.7Å; W172-N176 VanDerWaalsContact O-N 3.13Å; W172-N176 PolarHBondContact O-ND2 3.01Å
173	L	93.4	Very high	84.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-48.9	175	-84.3	172.7	0	0	0	111.3	I89 L120 L122 G169 L170 Q175 N176 L177	I89-L173 HydrophobicContact CD1-CD1 3.86Å; I89-L173 HydrophobicContact CG1-CD1 3.9Å; L120-L173 HydrophobicContact CB-CD2 4.25Å; L120-L173 HydrophobicContact CD1-CD2 4.4Å; L122-L173 HydrophobicContact CB-CD1 4.13Å; L122-L173 HydrophobicContact CB-CD2 4.26Å; L122-L173 HydrophobicContact CB-CG 4.11Å; L122-L173 HydrophobicContact CD2-CD1 3.52Å; L122-L173 HydrophobicContact CD2-CG 3.92Å; L122-L173 HydrophobicContact CG-CD1 4.48Å; G169-L173 PolarHBondContact O-N 3.39Å; G169-L173 VanDerWaalsContact O-N 3.08Å; L170-L173 HydrophobicContact CD2-CD1 4.22Å; L170-L173 WeakPolarHBondContact O-CB 3.35Å; L170-L173 PolarHBondContact O-N 3.12Å; L173-Q175 VanDerWaalsContact C-N 3.32Å; L173-Q175 PolarHBondContact O-N 3.12Å; L173-N176 PolarHBondContact O-N 2.92Å; L173-L177 HydrophobicContact CB-CD1 4.21Å; L173-L177 HydrophobicContact CD2-CD1 4.37Å; L173-L177 VanDerWaalsContact O-CB 3.26Å; L173-L177 WeakPolarHBondContact O-CB 3.14Å; L173-L177 WeakPolarHBondContact O-CD1 3.19Å; L173-L177 WeakPolarHBondContact O-CG 3.43Å; L173-L177 PolarHBondContact O-N 3.19Å
174	C	91.1	Very high	83.7	Confident	11 Å²	11	60.4 Å²	60.4	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-57.1	-44.5	178.7	-76.1	0	0	0	0	112.3	I61 F63 L170 D171 N176 G178	I61-C174 HydrophobicContact CD1-CB 3.95Å; F63-C174 VanDerWaalsContact CZ-SG 3.54Å; L170-C174 WeakPolarHBondContact O-CB 3.31Å; L170-C174 PolarHBondContact O-N 3.01Å; L170-C174 PolarHBondContact O-SG 3.23Å; L170-C174 VanDerWaalsContact O-SG 3.38Å; D171-C174 PolarHBondContact O-N 3.14Å; C174-N176 PolarHBondContact O-N 3.35Å; C174-G178 WeakPolarHBondContact O-CA 3.43Å; C174-G178 PolarHBondContact O-N 3.29Å
175	Q	91.7	Very high	82.9	Confident	132 Å²	132	59.9 Å²	59.9	62%	0.617	32%	0.32	S	S	*	.	H	α-helix	trans	-62.7	-42.6	-179.9	-72.8	169.9	32.8	0	0	111.7	D171 W172 L173	D171-Q175 WeakPolarHBondContact O-CB 3.49Å; D171-Q175 WeakPolarHBondContact O-CG 3.21Å; D171-Q175 PolarHBondContact O-N 3.27Å; W172-Q175 PolarHBondContact O-N 2.8Å; L173-Q175 VanDerWaalsContact C-N 3.32Å; L173-Q175 PolarHBondContact O-N 3.12Å
176	N	92.7	Very high	82	Confident	65 Å²	65	63.5 Å²	63.5	35%	0.348	34%	0.339	S	S	.	.	H	α-helix	trans	-83.2	-26.1	-176.7	-72.5	-85.7	0	0	0	113.2	L120 W172 L173 C174	L120-N176 HydrophobicContact CD1-CB 3.48Å; L120-N176 VanDerWaalsContact CD1-CB 3.48Å; L120-N176 HydrophobicContact CD2-CB 4.17Å; L120-N176 HydrophobicContact CG-CB 4.48Å; W172-N176 PolarHBondContact NE1-ND2 3.36Å; W172-N176 PolarHBondContact O-N 2.7Å; W172-N176 VanDerWaalsContact O-N 3.13Å; W172-N176 PolarHBondContact O-ND2 3.01Å; L173-N176 PolarHBondContact O-N 2.92Å; C174-N176 PolarHBondContact O-N 3.35Å
177	L	86.8	Confident	81	Confident	19 Å²	19	67.7 Å²	67.7	10%	0.099	36%	0.362	C	S	.	.	H	α-helix	trans	-81.3	-30.2	173.5	-69.8	164.8	0	0	0	112.4	K16 V18 I20 I61 F63 Q86 L120 L173 G179	K16-L177 PolarHBondContact NZ-O 3.41Å; V18-L177 HydrophobicContact CB-CD1 4.49Å; V18-L177 HydrophobicContact CG1-CD1 3.63Å; V18-L177 HydrophobicContact CG1-CD2 4.18Å; V18-L177 HydrophobicContact CG1-CG 4.48Å; V18-L177 HydrophobicContact CG2-CD1 4.34Å; I20-L177 HydrophobicContact CD1-CD1 4.23Å; I61-L177 HydrophobicContact CD1-CB 4.47Å; F63-L177 HydrophobicContact CE1-CD1 3.79Å; Q86-L177 HydrophobicContact CB-CD2 4.01Å; L120-L177 HydrophobicContact CD1-CD2 3.71Å; L120-L177 HydrophobicContact CD1-CG 3.67Å; L173-L177 HydrophobicContact CB-CD1 4.21Å; L173-L177 HydrophobicContact CD2-CD1 4.37Å; L173-L177 VanDerWaalsContact O-CB 3.26Å; L173-L177 WeakPolarHBondContact O-CB 3.14Å; L173-L177 WeakPolarHBondContact O-CD1 3.19Å; L173-L177 WeakPolarHBondContact O-CG 3.43Å; L173-L177 PolarHBondContact O-N 3.19Å; L177-G179 VanDerWaalsContact C-N 3.27Å; L177-G179 PolarHBondContact O-N 3.33Å
178	G	69.4	Low	80	Confident	40 Å²	40	66.5 Å²	66.5	41%	0.412	36%	0.361	S	S	.	.	S	Bend	trans	-74.1	-11.9	-178	0	0	0	0	0	114.7	C174	C174-G178 WeakPolarHBondContact O-CA 3.43Å; C174-G178 PolarHBondContact O-N 3.29Å
179	G	48.5	Very low	78.7	Confident	56 Å²	56	64 Å²	64	58%	0.577	35%	0.353	S	S	*	.			trans	-109.6	74.5	-171.6	0	0	0	0	0	115	L177	L177-G179 VanDerWaalsContact C-N 3.27Å; L177-G179 PolarHBondContact O-N 3.33Å
180	K	39.8	Very low	77.3	Confident	198 Å²	198	69.3 Å²	69.3	86%	0.861	38%	0.383	S	S	*	.			trans	-148.9	82.1	145.4	-77.1	-168	-177.3	174.8	0	106
181	N	30.7	Very low	75.8	Confident	232 Å²	232	75.2 Å²	75.2	100%	1.241	42%	0.415	S	S	*	.			trans	-78.2	0	158.4	-71.9	-24.5	0	0	0	108

Retrieved 181 of 181 residues in 331.3 ms (Link to these results)

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