A0A077Z9P4_TRITR Loading...

Protein CDV3

AlphaFold DB , UniProt , Accession A0A077Z9P4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59.3	Low	73.2	Confident	179 Å²	179	116.4 Å²	116.4	88%	0.882	61%	0.605	S	S	*	*				0	-71.7	0	-79.4	-168.1	177.7	0	0	111.6	D3 E4	M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.38Å; M1-E4 WeakPolarHBondContact CA-OE2 2.92Å; M1-E4 PolarHBondContact N-OE2 3.47Å; M1-E4 PolarHBondContact O-N 3.34Å
2	A	70.3	Confident	72.1	Confident	75 Å²	75	118.6 Å²	118.6	62%	0.62	61%	0.607	S	S	*	*	H	α-helix	trans	-59	-40.9	179.6	0	0	0	0	0	112.5	E4 I5 E6	A2-E4 VanDerWaalsContact C-N 3.31Å; A2-E4 PolarHBondContact O-N 3.31Å; A2-I5 PolarHBondContact O-N 3.07Å; A2-E6 PolarHBondContact O-N 2.65Å
3	D	74.7	Confident	71	Confident	126 Å²	126	119.8 Å²	119.8	67%	0.674	61%	0.605	S	S	*	*	H	α-helix	trans	-65.1	-32.6	-175.5	-34.1	-90.5	0	0	0	112.7	M1 S7	M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.38Å; D3-S7 WeakPolarHBondContact O-CB 3.39Å; D3-S7 PolarHBondContact O-N 3.36Å; D3-S7 VanDerWaalsContact O-N 3.07Å
4	E	75.8	Confident	70.1	Confident	130 Å²	130	121.4 Å²	121.4	61%	0.607	61%	0.606	S	S	*	*	H	α-helix	trans	-71.7	-39.6	179.9	-68.1	156.8	119.7	0	0	111.2	M1 A2 S7 F8	M1-E4 WeakPolarHBondContact CA-OE2 2.92Å; M1-E4 PolarHBondContact N-OE2 3.47Å; M1-E4 PolarHBondContact O-N 3.34Å; A2-E4 VanDerWaalsContact C-N 3.31Å; A2-E4 PolarHBondContact O-N 3.31Å; E4-S7 PolarHBondContact O-N 3.25Å; E4-F8 PolarHBondContact O-N 3.16Å; E4-F8 VanDerWaalsContact O-N 3.16Å
5	I	76.7	Confident	69.2	Low	110 Å²	110	120.2 Å²	120.2	56%	0.564	61%	0.607	S	S	*	*	H	α-helix	trans	-66.4	-44.5	177.2	-60.1	174.1	0	0	0	109.9	A2 S7 F8 F9	A2-I5 PolarHBondContact O-N 3.07Å; I5-S7 VanDerWaalsContact C-N 3.33Å; I5-S7 PolarHBondContact O-N 3.35Å; I5-F8 WeakPolarHBondContact O-CB 3.37Å; I5-F8 PolarHBondContact O-N 3.19Å; I5-F9 HydrophobicContact CG2-CD2 4.24Å; I5-F9 HydrophobicContact CG2-CE2 3.99Å; I5-F9 WeakPolarHBondContact O-CD2 3.38Å; I5-F9 PolarHBondContact O-N 3.45Å
6	E	77.7	Confident	68.3	Low	113 Å²	113	117.3 Å²	117.3	53%	0.528	61%	0.608	S	S	.	*	H	α-helix	trans	-67.1	-35.6	-179.9	-150.8	-166.4	-126	0	0	112.3	A2 F8 F9 K10	A2-E6 PolarHBondContact O-N 2.65Å; E6-F8 VanDerWaalsContact C-N 3.33Å; E6-F8 PolarHBondContact O-N 3.46Å; E6-F9 PolarHBondContact O-N 3.06Å; E6-K10 WeakPolarHBondContact O-CG 3.43Å; E6-K10 PolarHBondContact O-N 3.47Å; E6-K10 WeakPolarHBondContact OE2-CE 3.37Å; E6-K10 IonicContact OE2-NZ 3.22Å; E6-K10 PolarHBondContact OE2-NZ 3.41Å
7	S	77.8	Confident	67.3	Low	76 Å²	76	111.9 Å²	111.9	53%	0.531	58%	0.584	S	S	.	*	H	α-helix	trans	-59.2	-41	171.4	-171.8	0	0	0	0	112.4	D3 E4 I5 F9 K10 S11	D3-S7 WeakPolarHBondContact O-CB 3.39Å; D3-S7 PolarHBondContact O-N 3.36Å; D3-S7 VanDerWaalsContact O-N 3.07Å; E4-S7 PolarHBondContact O-N 3.25Å; I5-S7 VanDerWaalsContact C-N 3.33Å; I5-S7 PolarHBondContact O-N 3.35Å; S7-F9 PolarHBondContact O-N 2.58Å; S7-K10 PolarHBondContact O-N 3.21Å; S7-S11 WeakPolarHBondContact O-CB 3.4Å; S7-S11 PolarHBondContact O-N 3.41Å
8	F	78.9	Confident	66.5	Low	127 Å²	127	110.4 Å²	110.4	56%	0.557	57%	0.572	S	S	*	*	H	α-helix	trans	-62.7	-42	178.9	-170.1	-94.8	0	0	0	113	E4 I5 E6 S11 K12	E4-F8 PolarHBondContact O-N 3.16Å; E4-F8 VanDerWaalsContact O-N 3.16Å; I5-F8 WeakPolarHBondContact O-CB 3.37Å; I5-F8 PolarHBondContact O-N 3.19Å; E6-F8 VanDerWaalsContact C-N 3.33Å; E6-F8 PolarHBondContact O-N 3.46Å; F8-S11 WeakPolarHBondContact O-CB 3.45Å; F8-S11 PolarHBondContact O-N 2.88Å; F8-K12 PolarHBondContact O-N 3.15Å
9	F	75.7	Confident	66	Low	143 Å²	143	114.6 Å²	114.6	63%	0.627	59%	0.586	S	S	*	*	H	α-helix	trans	-70.7	-40.1	176.1	-75.5	-76.2	0	0	0	112.6	I5 E6 S7 S11 K12 K13	I5-F9 HydrophobicContact CG2-CD2 4.24Å; I5-F9 HydrophobicContact CG2-CE2 3.99Å; I5-F9 WeakPolarHBondContact O-CD2 3.38Å; I5-F9 PolarHBondContact O-N 3.45Å; E6-F9 PolarHBondContact O-N 3.06Å; S7-F9 PolarHBondContact O-N 2.58Å; F9-S11 VanDerWaalsContact C-N 3.27Å; F9-S11 PolarHBondContact O-N 3.38Å; F9-K12 PolarHBondContact O-N 3.38Å; F9-K13 PolarHBondContact O-N 3.5Å; F9-K13 VanDerWaalsContact O-N 3.15Å
10	K	73.4	Confident	65.4	Low	127 Å²	127	117.1 Å²	117.1	55%	0.552	60%	0.597	S	S	*	*	H	α-helix	trans	-58.3	-39.8	172.3	-75.7	168.6	174.2	171.9	0	111.5	E6 S7 K14	E6-K10 WeakPolarHBondContact O-CG 3.43Å; E6-K10 PolarHBondContact O-N 3.47Å; E6-K10 WeakPolarHBondContact OE2-CE 3.37Å; E6-K10 IonicContact OE2-NZ 3.22Å; E6-K10 PolarHBondContact OE2-NZ 3.41Å; S7-K10 PolarHBondContact O-N 3.21Å; K10-K14 PolarHBondContact O-N 3.21Å
11	S	64.5	Low	64.5	Low	74 Å²	74	113.9 Å²	113.9	52%	0.517	59%	0.593	S	S	.	*	H	α-helix	trans	-59	-49	173.7	-175.1	0	0	0	0	112.4	S7 F8 F9 K13 K14	S7-S11 WeakPolarHBondContact O-CB 3.4Å; S7-S11 PolarHBondContact O-N 3.41Å; F8-S11 WeakPolarHBondContact O-CB 3.45Å; F8-S11 PolarHBondContact O-N 2.88Å; F9-S11 VanDerWaalsContact C-N 3.27Å; F9-S11 PolarHBondContact O-N 3.38Å; S11-K13 PolarHBondContact O-N 3.45Å; S11-K14 WeakPolarHBondContact O-CB 3.39Å; S11-K14 PolarHBondContact O-N 3.35Å
12	K	60	Low	64.2	Low	143 Å²	143	109 Å²	109	62%	0.622	58%	0.582	S	S	*	*	H	α-helix	trans	-65.8	-38.1	179.7	-80.1	-161.7	174.6	-173.6	0	114.5	F8 F9 K14 V15	F8-K12 PolarHBondContact O-N 3.15Å; F9-K12 PolarHBondContact O-N 3.38Å; K12-K14 PolarHBondContact O-N 3.19Å; K12-V15 PolarHBondContact O-N 3.19Å
13	K	58.6	Low	63.4	Low	135 Å²	135	111.9 Å²	111.9	59%	0.587	58%	0.582	S	S	*	*	H	α-helix	trans	-62.2	-28.3	175.8	-165.2	174.1	-179.9	-177.6	0	111.4	F9 S11 V15 L208 D211	F9-K13 PolarHBondContact O-N 3.5Å; F9-K13 VanDerWaalsContact O-N 3.15Å; S11-K13 PolarHBondContact O-N 3.45Å; K13-V15 VanDerWaalsContact C-N 3.32Å; K13-V15 PolarHBondContact O-N 3.37Å; K13-L208 WeakPolarHBondContact O-CD2 3.47Å; K13-D211 IonicContact NZ-OD2 2.64Å; K13-D211 PolarHBondContact NZ-OD2 2.78Å
14	K	58.4	Low	62.6	Low	142 Å²	142	109.5 Å²	109.5	62%	0.617	57%	0.572	S	S	*	*	H	α-helix	trans	-66.2	-26	176.7	-67.5	-151	174.8	-177	0	115	K10 S11 K12 L208	K10-K14 PolarHBondContact O-N 3.21Å; S11-K14 WeakPolarHBondContact O-CB 3.39Å; S11-K14 PolarHBondContact O-N 3.35Å; K12-K14 PolarHBondContact O-N 3.19Å; K14-L208 HydrophobicContact CB-CD1 3.94Å; K14-L208 HydrophobicContact CD-CD1 4Å; K14-L208 HydrophobicContact CG-CD1 3.64Å
15	V	56.5	Low	61.9	Low	103 Å²	103	108.7 Å²	108.7	62%	0.624	58%	0.578	S	S	*	*	H	α-helix	trans	-76.7	-34.6	-173.9	-175.7	0	0	0	0	112.3	K12 K13 A17 K18	K12-V15 PolarHBondContact O-N 3.19Å; K13-V15 VanDerWaalsContact C-N 3.32Å; K13-V15 PolarHBondContact O-N 3.37Å; V15-A17 PolarHBondContact O-N 3.24Å; V15-K18 WeakPolarHBondContact O-CB 3.1Å; V15-K18 PolarHBondContact O-N 2.83Å; V15-K18 VanDerWaalsContact O-N 3.1Å
16	A	53.8	Low	61.8	Low	74 Å²	74	108.1 Å²	108.1	61%	0.612	58%	0.576	S	S	*	*	H	α-helix	trans	-61.6	-41.2	-173.4	0	0	0	0	0	113.4	K18 K19	A16-K18 PolarHBondContact O-N 3.28Å; A16-K18 VanDerWaalsContact O-N 3.16Å; A16-K19 PolarHBondContact O-N 3.38Å
17	A	51.9	Low	61.6	Low	25 Å²	25	106.9 Å²	106.9	21%	0.207	57%	0.572	C	S	.	*	T	Hydrogen-bonded Turn	trans	-68	-12	179.1	0	0	0	0	0	114	V15 K19 L208	V15-A17 PolarHBondContact O-N 3.24Å; A17-K19 PolarHBondContact O-N 3.03Å; A17-L208 HydrophobicContact CB-CB 4.44Å; A17-L208 HydrophobicContact CB-CD2 3.5Å; A17-L208 VanDerWaalsContact CB-CD2 3.5Å; A17-L208 HydrophobicContact CB-CG 3.75Å
18	K	53.8	Low	61.6	Low	86 Å²	86	106.3 Å²	106.3	37%	0.374	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.2	2.1	175.8	-167.4	144.4	-151.6	152.5	0	113.5	V15 A16 R204 S205 S206	V15-K18 WeakPolarHBondContact O-CB 3.1Å; V15-K18 PolarHBondContact O-N 2.83Å; V15-K18 VanDerWaalsContact O-N 3.1Å; A16-K18 PolarHBondContact O-N 3.28Å; A16-K18 VanDerWaalsContact O-N 3.16Å; K18-R204 HydrophobicContact CD-CB 4.23Å; K18-R204 VanDerWaalsContact CE-CB 3.5Å; K18-R204 WeakPolarHBondContact CE-O 3.43Å; K18-R204 HydrophobicContact CG-CB 3.88Å; K18-R204 PolarHBondContact NZ-O 3.21Å; K18-S205 WeakPolarHBondContact CG-O 3.42Å; K18-S206 PolarHBondContact NZ-OG 3.42Å
19	K	56.1	Low	61.8	Low	190 Å²	190	102 Å²	102	83%	0.826	55%	0.554	S	S	*	*	S	Bend	trans	-118.2	-11.5	175.2	-159.4	179	178.1	-173	0	114	A16 A17	A16-K19 PolarHBondContact O-N 3.38Å; A17-K19 PolarHBondContact O-N 3.03Å
20	M	54.1	Low	62.1	Low	163 Å²	163	102.1 Å²	102.1	80%	0.803	55%	0.55	S	S	*	*			trans	-127.8	35.8	179.3	-68.6	-65	-127.8	0	0	112	A22	M20-A22 WeakPolarHBondContact O-CB 3.36Å
21	G	46.8	Very low	62.6	Low	51 Å²	51	101.5 Å²	101.5	53%	0.526	55%	0.549	S	S	.	.			trans	-94.2	72.2	148.2	0	0	0	0	0	106.7
22	A	52.9	Low	63.5	Low	77 Å²	77	102.9 Å²	102.9	64%	0.636	55%	0.551	S	S	*	*				50.2	83.2	70.7	0	0	0	0	0	110.9	M20 T24	M20-A22 WeakPolarHBondContact O-CB 3.36Å; A22-T24 PolarHBondContact O-N 3.24Å
23	Q	54.3	Low	64.8	Low	134 Å²	134	101.6 Å²	101.6	63%	0.626	55%	0.547	S	S	*	.				38.2	67.9	126.7	-164.2	175.5	33.9	0	0	113.6	L28	Q23-L28 HydrophobicContact CG-CB 4.11Å; Q23-L28 HydrophobicContact CG-CD2 4.42Å
24	T	56.8	Low	66	Low	76 Å²	76	100.4 Å²	100.4	47%	0.466	54%	0.543	S	S	.	.			trans	-56.7	137.3	167.3	35.5	0	0	0	0	108.3	A22 D26 I27 L28	A22-T24 PolarHBondContact O-N 3.24Å; T24-D26 PolarHBondContact O-N 3.35Å; T24-I27 PolarHBondContact O-N 3.16Å; T24-I27 VanDerWaalsContact OG1-CD1 3.29Å; T24-I27 WeakPolarHBondContact OG1-CD1 3.15Å; T24-I27 WeakPolarHBondContact OG1-CG1 2.91Å; T24-L28 PolarHBondContact O-N 3.1Å
25	P	61.1	Low	67.3	Low	114 Å²	114	96 Å²	96	74%	0.74	53%	0.534	S	S	*	.	H	α-helix	trans	-59.3	-26.8	-174.1	22	-33.1	0	0	0	112.4	L28 G29	P25-L28 PolarHBondContact O-N 3.37Å; P25-G29 PolarHBondContact O-N 3.19Å
26	D	74.3	Confident	68.5	Low	98 Å²	98	94.6 Å²	94.6	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-62.1	-37.3	173.5	-150.3	80	0	0	0	113.3	T24 R30	T24-D26 PolarHBondContact O-N 3.35Å; D26-R30 WeakPolarHBondContact O-CD 3.29Å; D26-R30 WeakPolarHBondContact O-CG 3.29Å; D26-R30 PolarHBondContact O-N 3.2Å; D26-R30 VanDerWaalsContact O-N 3.1Å; D26-R30 IonicContact OD2-CZ 3.54Å; D26-R30 IonicContact OD2-NE 2.78Å; D26-R30 PolarHBondContact OD2-NE 2.61Å; D26-R30 IonicContact OD2-NH2 3.37Å; D26-R30 PolarHBondContact OD2-NH2 2.89Å
27	I	74.8	Confident	69.9	Low	86 Å²	86	95.9 Å²	95.9	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-74.6	-42.9	177.1	-64.3	176.8	0	0	0	110.4	T24 G29 R30 Q31	T24-I27 PolarHBondContact O-N 3.16Å; T24-I27 VanDerWaalsContact OG1-CD1 3.29Å; T24-I27 WeakPolarHBondContact OG1-CD1 3.15Å; T24-I27 WeakPolarHBondContact OG1-CG1 2.91Å; I27-G29 VanDerWaalsContact C-N 3.32Å; I27-G29 PolarHBondContact O-N 3.26Å; I27-R30 PolarHBondContact O-N 3.22Å; I27-Q31 HydrophobicContact CG2-CG 4.47Å; I27-Q31 WeakPolarHBondContact O-CB 3.23Å; I27-Q31 WeakPolarHBondContact O-CG 3.44Å; I27-Q31 PolarHBondContact O-N 2.89Å
28	L	77.9	Confident	71.4	Confident	64 Å²	64	100 Å²	100	34%	0.335	53%	0.534	S	S	.	.	H	α-helix	trans	-63.9	-39.4	175.9	179.7	58.6	0	0	0	111.3	Q23 T24 P25 Q31 L32	Q23-L28 HydrophobicContact CG-CB 4.11Å; Q23-L28 HydrophobicContact CG-CD2 4.42Å; T24-L28 PolarHBondContact O-N 3.1Å; P25-L28 PolarHBondContact O-N 3.37Å; L28-Q31 PolarHBondContact O-N 3.49Å; L28-L32 HydrophobicContact CD1-CD1 4.2Å; L28-L32 HydrophobicContact CD1-CG 4.28Å; L28-L32 HydrophobicContact CG-CD1 4.06Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.12Å; L28-L32 PolarHBondContact O-N 3.11Å
29	G	82.5	Confident	72.6	Confident	36 Å²	36	102.3 Å²	102.3	37%	0.371	55%	0.545	S	S	.	.	H	α-helix	trans	-58.7	-49.6	173.4	0	0	0	0	0	112.2	P25 I27 Q31 L32 E33	P25-G29 PolarHBondContact O-N 3.19Å; I27-G29 VanDerWaalsContact C-N 3.32Å; I27-G29 PolarHBondContact O-N 3.26Å; G29-Q31 PolarHBondContact O-N 3.29Å; G29-L32 PolarHBondContact O-N 3.2Å; G29-E33 WeakPolarHBondContact O-CB 3.29Å; G29-E33 PolarHBondContact O-N 3.05Å
30	R	82.6	Confident	73.6	Confident	146 Å²	146	99 Å²	99	55%	0.551	53%	0.533	S	S	*	.	H	α-helix	trans	-61.7	-39.6	176.2	-70.1	165.6	-165.5	-72.4	-6.5	113.1	D26 I27 E33 Q34	D26-R30 WeakPolarHBondContact O-CD 3.29Å; D26-R30 WeakPolarHBondContact O-CG 3.29Å; D26-R30 PolarHBondContact O-N 3.2Å; D26-R30 VanDerWaalsContact O-N 3.1Å; D26-R30 IonicContact OD2-CZ 3.54Å; D26-R30 IonicContact OD2-NE 2.78Å; D26-R30 PolarHBondContact OD2-NE 2.61Å; D26-R30 IonicContact OD2-NH2 3.37Å; D26-R30 PolarHBondContact OD2-NH2 2.89Å; I27-R30 PolarHBondContact O-N 3.22Å; R30-E33 PolarHBondContact O-N 3.29Å; R30-Q34 WeakPolarHBondContact O-CB 3.16Å; R30-Q34 PolarHBondContact O-N 3.15Å
31	Q	82.2	Confident	74.7	Confident	114 Å²	114	95.4 Å²	95.4	53%	0.533	52%	0.517	S	S	.	.	H	α-helix	trans	-66.9	-36.5	176.8	-75.2	176.8	-21	0	0	112.2	I27 L28 G29 A35	I27-Q31 HydrophobicContact CG2-CG 4.47Å; I27-Q31 WeakPolarHBondContact O-CB 3.23Å; I27-Q31 WeakPolarHBondContact O-CG 3.44Å; I27-Q31 PolarHBondContact O-N 2.89Å; L28-Q31 PolarHBondContact O-N 3.49Å; G29-Q31 PolarHBondContact O-N 3.29Å; Q31-A35 VanDerWaalsContact O-CB 3.3Å; Q31-A35 WeakPolarHBondContact O-CB 3.33Å; Q31-A35 PolarHBondContact O-N 2.9Å
32	L	85.1	Confident	75.8	Confident	104 Å²	104	98.9 Å²	98.9	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-70.8	-41.6	173.4	-71.1	167.4	0	0	0	111.9	L28 G29 A35 V36	L28-L32 HydrophobicContact CD1-CD1 4.2Å; L28-L32 HydrophobicContact CD1-CG 4.28Å; L28-L32 HydrophobicContact CG-CD1 4.06Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.12Å; L28-L32 PolarHBondContact O-N 3.11Å; G29-L32 PolarHBondContact O-N 3.2Å; L32-A35 PolarHBondContact O-N 3.4Å; L32-V36 WeakPolarHBondContact O-CG2 3.37Å; L32-V36 PolarHBondContact O-N 3.49Å
33	E	85.9	Confident	76.7	Confident	116 Å²	116	98.6 Å²	98.6	54%	0.542	51%	0.508	S	S	.	.	H	α-helix	trans	-60	-46	175.1	-178.8	174.5	-146.1	0	0	111.6	G29 R30 V36 Q37	G29-E33 WeakPolarHBondContact O-CB 3.29Å; G29-E33 PolarHBondContact O-N 3.05Å; R30-E33 PolarHBondContact O-N 3.29Å; E33-V36 PolarHBondContact O-N 3.31Å; E33-Q37 WeakPolarHBondContact O-CG 3.28Å; E33-Q37 PolarHBondContact O-N 3Å; E33-Q37 VanDerWaalsContact O-N 3.11Å
34	Q	84.9	Confident	77.4	Confident	110 Å²	110	97 Å²	97	51%	0.514	50%	0.503	S	S	.	.	H	α-helix	trans	-62.1	-46.3	174.1	-178.9	178.5	-14.9	0	0	111.8	R30 V36 Q37 E38	R30-Q34 WeakPolarHBondContact O-CB 3.16Å; R30-Q34 PolarHBondContact O-N 3.15Å; Q34-V36 VanDerWaalsContact C-N 3.3Å; Q34-V36 PolarHBondContact O-N 3.37Å; Q34-Q37 PolarHBondContact O-N 3.39Å; Q34-E38 HydrophobicContact CG-CG 4.43Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.41Å; Q34-E38 PolarHBondContact NE2-OE1 3.07Å; Q34-E38 WeakPolarHBondContact O-CG 3.47Å; Q34-E38 PolarHBondContact O-N 3.04Å
35	A	84.1	Confident	77.9	Confident	50 Å²	50	98.7 Å²	98.7	41%	0.413	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-34	-179.9	0	0	0	0	0	113	Q31 L32 Q39	Q31-A35 VanDerWaalsContact O-CB 3.3Å; Q31-A35 WeakPolarHBondContact O-CB 3.33Å; Q31-A35 PolarHBondContact O-N 2.9Å; L32-A35 PolarHBondContact O-N 3.4Å; A35-Q39 WeakPolarHBondContact O-CB 3.38Å; A35-Q39 PolarHBondContact O-N 3.06Å
36	V	82.6	Confident	78.3	Confident	73 Å²	73	96.9 Å²	96.9	44%	0.442	49%	0.489	S	S	.	.	H	α-helix	trans	-67.3	-46.2	173.2	169.9	0	0	0	0	110.8	L32 E33 Q34 E38 Q39 E40	L32-V36 WeakPolarHBondContact O-CG2 3.37Å; L32-V36 PolarHBondContact O-N 3.49Å; E33-V36 PolarHBondContact O-N 3.31Å; Q34-V36 VanDerWaalsContact C-N 3.3Å; Q34-V36 PolarHBondContact O-N 3.37Å; V36-E38 VanDerWaalsContact C-N 3.34Å; V36-E38 PolarHBondContact O-N 2.99Å; V36-Q39 PolarHBondContact O-N 3.37Å; V36-Q39 VanDerWaalsContact O-N 3.14Å; V36-E40 HydrophobicContact CG1-CG 4.42Å; V36-E40 WeakPolarHBondContact O-CG 3.39Å; V36-E40 PolarHBondContact O-N 3.45Å
37	Q	83	Confident	78.1	Confident	100 Å²	100	95.7 Å²	95.7	47%	0.467	48%	0.482	S	S	.	.	H	α-helix	trans	-62.9	-39.1	177	-69.2	175	19.4	0	0	112.2	E33 Q34 Q39 E40 N41	E33-Q37 WeakPolarHBondContact O-CG 3.28Å; E33-Q37 PolarHBondContact O-N 3Å; E33-Q37 VanDerWaalsContact O-N 3.11Å; Q34-Q37 PolarHBondContact O-N 3.39Å; Q37-Q39 VanDerWaalsContact C-N 3.33Å; Q37-E40 PolarHBondContact O-N 3.49Å; Q37-N41 WeakPolarHBondContact O-CB 3.48Å; Q37-N41 VanDerWaalsContact O-CG 3.26Å; Q37-N41 PolarHBondContact O-N 3.44Å; Q37-N41 PolarHBondContact O-ND2 3.31Å
38	E	83.1	Confident	77.8	Confident	113 Å²	113	97.6 Å²	97.6	53%	0.528	49%	0.489	S	S	.	.	H	α-helix	trans	-64.5	-36.9	173.8	-73.4	176	-168.8	0	0	111.9	Q34 V36 F42	Q34-E38 HydrophobicContact CG-CG 4.43Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.41Å; Q34-E38 PolarHBondContact NE2-OE1 3.07Å; Q34-E38 WeakPolarHBondContact O-CG 3.47Å; Q34-E38 PolarHBondContact O-N 3.04Å; V36-E38 VanDerWaalsContact C-N 3.34Å; V36-E38 PolarHBondContact O-N 2.99Å; E38-F42 WeakPolarHBondContact O-CB 3.42Å; E38-F42 PolarHBondContact O-N 3.43Å
39	Q	79.4	Confident	77.3	Confident	133 Å²	133	103 Å²	103	62%	0.621	51%	0.505	S	S	*	.	H	α-helix	trans	-70	-42.4	174.9	-173.6	174.1	10.1	0	0	112.8	A35 V36 Q37 F42 V43	A35-Q39 WeakPolarHBondContact O-CB 3.38Å; A35-Q39 PolarHBondContact O-N 3.06Å; V36-Q39 PolarHBondContact O-N 3.37Å; V36-Q39 VanDerWaalsContact O-N 3.14Å; Q37-Q39 VanDerWaalsContact C-N 3.33Å; Q39-F42 PolarHBondContact O-N 3.24Å; Q39-V43 PolarHBondContact O-N 3.03Å; Q39-V43 VanDerWaalsContact O-N 3.11Å
40	E	77.9	Confident	76.8	Confident	120 Å²	120	105.4 Å²	105.4	56%	0.561	51%	0.505	S	S	*	.	H	α-helix	trans	-61.2	-45.1	175.6	-72.8	177.7	159.4	0	0	111.1	V36 Q37 F42 V43 I44	V36-E40 HydrophobicContact CG1-CG 4.42Å; V36-E40 WeakPolarHBondContact O-CG 3.39Å; V36-E40 PolarHBondContact O-N 3.45Å; Q37-E40 PolarHBondContact O-N 3.49Å; E40-F42 VanDerWaalsContact C-N 3.32Å; E40-F42 PolarHBondContact O-N 3.4Å; E40-V43 PolarHBondContact O-N 3.5Å; E40-I44 WeakPolarHBondContact O-CG1 3.35Å; E40-I44 PolarHBondContact O-N 2.78Å
41	N	77	Confident	75.9	Confident	89 Å²	89	104 Å²	104	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-61.6	-38.3	173.7	-73	-42.6	0	0	0	112.3	Q37 I44 M45	Q37-N41 WeakPolarHBondContact O-CB 3.48Å; Q37-N41 VanDerWaalsContact O-CG 3.26Å; Q37-N41 PolarHBondContact O-N 3.44Å; Q37-N41 PolarHBondContact O-ND2 3.31Å; N41-I44 PolarHBondContact O-N 3.06Å; N41-M45 WeakPolarHBondContact O-CG 3.2Å; N41-M45 PolarHBondContact O-N 2.91Å
42	F	70	Confident	74.8	Confident	123 Å²	123	101.6 Å²	101.6	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-63	-42.3	177.4	-173.2	-87.8	0	0	0	112.2	E38 Q39 E40 I44 M45 E46	E38-F42 WeakPolarHBondContact O-CB 3.42Å; E38-F42 PolarHBondContact O-N 3.43Å; Q39-F42 PolarHBondContact O-N 3.24Å; E40-F42 VanDerWaalsContact C-N 3.32Å; E40-F42 PolarHBondContact O-N 3.4Å; F42-I44 VanDerWaalsContact C-N 3.34Å; F42-I44 PolarHBondContact O-N 2.58Å; F42-M45 PolarHBondContact O-N 2.84Å; F42-E46 HydrophobicContact CE1-CB 4.29Å; F42-E46 HydrophobicContact CE1-CG 4.28Å; F42-E46 WeakPolarHBondContact O-CB 3.49Å; F42-E46 PolarHBondContact O-N 3.43Å
43	V	72	Confident	73.7	Confident	72 Å²	72	100.1 Å²	100.1	44%	0.436	49%	0.494	S	S	.	.	H	α-helix	trans	-61.6	-42.7	177.3	174.6	0	0	0	0	111.3	Q39 E40 E46 D47	Q39-V43 PolarHBondContact O-N 3.03Å; Q39-V43 VanDerWaalsContact O-N 3.11Å; E40-V43 PolarHBondContact O-N 3.5Å; V43-E46 PolarHBondContact O-N 3.45Å; V43-D47 PolarHBondContact O-N 2.77Å
44	I	68.3	Low	72.4	Confident	100 Å²	100	98.4 Å²	98.4	51%	0.513	49%	0.491	S	S	.	.	H	α-helix	trans	-61.2	-48.4	176.7	-63.4	166.3	0	0	0	110.6	E40 N41 F42 E46 D47 E48	E40-I44 WeakPolarHBondContact O-CG1 3.35Å; E40-I44 PolarHBondContact O-N 2.78Å; N41-I44 PolarHBondContact O-N 3.06Å; F42-I44 VanDerWaalsContact C-N 3.34Å; F42-I44 PolarHBondContact O-N 2.58Å; I44-E46 VanDerWaalsContact C-N 3.34Å; I44-E46 PolarHBondContact O-N 3.11Å; I44-D47 PolarHBondContact O-N 3.16Å; I44-E48 PolarHBondContact O-N 3.31Å
45	M	67.4	Low	71	Confident	111 Å²	111	98 Å²	98	55%	0.547	49%	0.492	S	S	.	.	H	α-helix	trans	-65.1	-34.7	178.2	-69.9	-175.1	-66.3	0	0	113	N41 F42 W49	N41-M45 WeakPolarHBondContact O-CG 3.2Å; N41-M45 PolarHBondContact O-N 2.91Å; F42-M45 PolarHBondContact O-N 2.84Å; M45-W49 VanDerWaalsContact O-CB 3.27Å; M45-W49 WeakPolarHBondContact O-CB 3.3Å; M45-W49 PolarHBondContact O-N 3.46Å
46	E	69.4	Low	69.7	Low	77 Å²	77	103.3 Å²	103.3	36%	0.36	50%	0.502	S	S	.	.	H	α-helix	trans	-68.4	-39.1	177.5	-153.1	-159.3	144.4	0	0	111.2	F42 V43 I44 W49 K50	F42-E46 HydrophobicContact CE1-CB 4.29Å; F42-E46 HydrophobicContact CE1-CG 4.28Å; F42-E46 WeakPolarHBondContact O-CB 3.49Å; F42-E46 PolarHBondContact O-N 3.43Å; V43-E46 PolarHBondContact O-N 3.45Å; I44-E46 VanDerWaalsContact C-N 3.34Å; I44-E46 PolarHBondContact O-N 3.11Å; E46-W49 PolarHBondContact O-N 3.1Å; E46-K50 WeakPolarHBondContact O-CD 3.41Å; E46-K50 VanDerWaalsContact O-CG 3.22Å; E46-K50 WeakPolarHBondContact O-CG 3.33Å; E46-K50 PolarHBondContact O-N 3.23Å; E46-K50 WeakPolarHBondContact OE1-CE 3.35Å; E46-K50 IonicContact OE1-NZ 2.77Å; E46-K50 PolarHBondContact OE1-NZ 3.44Å; E46-K50 IonicContact OE2-NZ 2.76Å
47	D	69	Low	68.4	Low	72 Å²	72	103 Å²	103	39%	0.385	50%	0.502	S	S	.	.	H	α-helix	trans	-76.4	-34.4	177.6	-79.2	-2.9	0	0	0	113	V43 I44 K50 Q51	V43-D47 PolarHBondContact O-N 2.77Å; I44-D47 PolarHBondContact O-N 3.16Å; D47-K50 IonicContact OD1-NZ 2.69Å; D47-K50 PolarHBondContact OD1-NZ 3.34Å; D47-Q51 WeakPolarHBondContact O-CB 3.45Å; D47-Q51 VanDerWaalsContact O-CG 3.3Å; D47-Q51 WeakPolarHBondContact O-CG 3.4Å; D47-Q51 PolarHBondContact O-N 3.37Å; D47-Q51 PolarHBondContact O-NE2 2.79Å
48	E	69.5	Low	67.1	Low	127 Å²	127	102.5 Å²	102.5	59%	0.593	51%	0.506	S	S	*	.	H	α-helix	trans	-62.2	-42.5	167.5	-76.9	-171.5	163.5	0	0	111.4	I44 Q51 S52	I44-E48 PolarHBondContact O-N 3.31Å; E48-Q51 PolarHBondContact O-N 2.94Å; E48-S52 WeakPolarHBondContact O-CB 3.36Å; E48-S52 PolarHBondContact O-N 3.48Å
49	W	67	Low	65.8	Low	178 Å²	178	103.1 Å²	103.1	67%	0.674	51%	0.509	S	S	*	.	H	α-helix	trans	-67.8	-38.5	178.1	-172.1	67.8	0	0	0	112.3	M45 E46 N53	M45-W49 VanDerWaalsContact O-CB 3.27Å; M45-W49 WeakPolarHBondContact O-CB 3.3Å; M45-W49 PolarHBondContact O-N 3.46Å; E46-W49 PolarHBondContact O-N 3.1Å; W49-N53 VanDerWaalsContact CE2-ND2 3.25Å; W49-N53 PolarHBondContact NE1-ND2 3.31Å; W49-N53 PolarHBondContact O-N 3.16Å; W49-N53 VanDerWaalsContact O-N 3.12Å; W49-N53 PolarHBondContact O-ND2 3.03Å
50	K	72.9	Confident	64.6	Low	85 Å²	85	102.3 Å²	102.3	37%	0.37	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-47.3	171.7	-73.1	163.3	-163.1	151.9	0	111.5	E46 D47 N53 V54	E46-K50 WeakPolarHBondContact O-CD 3.41Å; E46-K50 VanDerWaalsContact O-CG 3.22Å; E46-K50 WeakPolarHBondContact O-CG 3.33Å; E46-K50 PolarHBondContact O-N 3.23Å; E46-K50 WeakPolarHBondContact OE1-CE 3.35Å; E46-K50 IonicContact OE1-NZ 2.77Å; E46-K50 PolarHBondContact OE1-NZ 3.44Å; E46-K50 IonicContact OE2-NZ 2.76Å; D47-K50 IonicContact OD1-NZ 2.69Å; D47-K50 PolarHBondContact OD1-NZ 3.34Å; K50-N53 PolarHBondContact O-N 2.87Å; K50-V54 WeakPolarHBondContact O-CG2 3.3Å; K50-V54 PolarHBondContact O-N 2.83Å
51	Q	62.2	Low	63.4	Low	117 Å²	117	103.9 Å²	103.9	55%	0.547	52%	0.52	S	S	.	.	H	α-helix	trans	-60	-48.3	178	-76.8	166.8	76.5	0	0	111.3	D47 E48 N53 V54 D55	D47-Q51 WeakPolarHBondContact O-CB 3.45Å; D47-Q51 VanDerWaalsContact O-CG 3.3Å; D47-Q51 WeakPolarHBondContact O-CG 3.4Å; D47-Q51 PolarHBondContact O-N 3.37Å; D47-Q51 PolarHBondContact O-NE2 2.79Å; E48-Q51 PolarHBondContact O-N 2.94Å; Q51-N53 VanDerWaalsContact C-N 3.27Å; Q51-N53 PolarHBondContact O-N 2.75Å; Q51-V54 WeakPolarHBondContact O-CA 3.43Å; Q51-V54 WeakPolarHBondContact O-CB 3.47Å; Q51-V54 PolarHBondContact O-N 3.45Å; Q51-D55 PolarHBondContact O-N 2.86Å
52	S	60.8	Low	62.3	Low	64 Å²	64	106.6 Å²	106.6	45%	0.448	53%	0.534	S	S	.	.	H	α-helix	trans	-60.2	-33	178.1	-178.5	0	0	0	0	113.7	E48 R56	E48-S52 WeakPolarHBondContact O-CB 3.36Å; E48-S52 PolarHBondContact O-N 3.48Å; S52-R56 WeakPolarHBondContact O-CB 3.4Å; S52-R56 PolarHBondContact O-N 2.96Å
53	N	61.2	Low	61.5	Low	73 Å²	73	106.6 Å²	106.6	39%	0.39	54%	0.536	S	S	.	.	H	α-helix	trans	-76.8	-34.6	172.2	-75.2	-70.3	0	0	0	112.5	W49 K50 Q51 S57	W49-N53 VanDerWaalsContact CE2-ND2 3.25Å; W49-N53 PolarHBondContact NE1-ND2 3.31Å; W49-N53 PolarHBondContact O-N 3.16Å; W49-N53 VanDerWaalsContact O-N 3.12Å; W49-N53 PolarHBondContact O-ND2 3.03Å; K50-N53 PolarHBondContact O-N 2.87Å; Q51-N53 VanDerWaalsContact C-N 3.27Å; Q51-N53 PolarHBondContact O-N 2.75Å; N53-S57 WeakPolarHBondContact O-CB 3.44Å; N53-S57 PolarHBondContact O-N 3.43Å; N53-S57 PolarHBondContact O-OG 2.92Å
54	V	58.6	Low	60.4	Low	80 Å²	80	105.4 Å²	105.4	49%	0.485	54%	0.538	S	S	.	.	H	α-helix	trans	-64.2	-51.8	175.5	166.5	0	0	0	0	110.7	K50 Q51 R56 S57 V58	K50-V54 WeakPolarHBondContact O-CG2 3.3Å; K50-V54 PolarHBondContact O-N 2.83Å; Q51-V54 WeakPolarHBondContact O-CA 3.43Å; Q51-V54 WeakPolarHBondContact O-CB 3.47Å; Q51-V54 PolarHBondContact O-N 3.45Å; V54-R56 VanDerWaalsContact C-N 3.31Å; V54-R56 PolarHBondContact O-N 3.12Å; V54-S57 WeakPolarHBondContact CA-OG 3.4Å; V54-S57 CarbonylContact O-C 3.53Å; V54-S57 WeakPolarHBondContact O-CA 3.17Å; V54-S57 PolarHBondContact O-N 2.92Å; V54-S57 PolarHBondContact O-OG 3.16Å; V54-V58 HydrophobicContact CG1-CG2 4.39Å; V54-V58 WeakPolarHBondContact O-CG2 3.44Å; V54-V58 PolarHBondContact O-N 3.2Å
55	D	55.7	Low	59.4	Low	102 Å²	102	108.3 Å²	108.3	55%	0.545	56%	0.555	S	S	.	*	H	α-helix	trans	-56.6	-46.8	179.8	-66.2	-31.5	0	0	0	111.1	Q51 S57 V58 E59	Q51-D55 PolarHBondContact O-N 2.86Å; D55-S57 VanDerWaalsContact C-N 3.28Å; D55-S57 PolarHBondContact O-N 2.96Å; D55-V58 WeakPolarHBondContact O-CB 3.25Å; D55-V58 PolarHBondContact O-N 3.25Å; D55-E59 PolarHBondContact O-N 3.45Å
56	R	55.7	Low	59	Low	161 Å²	161	107.2 Å²	107.2	61%	0.608	56%	0.558	S	S	*	*	H	α-helix	trans	-64	-31.1	177.2	-154.4	178	-152	138.9	5.5	113.2	S52 V54 L60	S52-R56 WeakPolarHBondContact O-CB 3.4Å; S52-R56 PolarHBondContact O-N 2.96Å; V54-R56 VanDerWaalsContact C-N 3.31Å; V54-R56 PolarHBondContact O-N 3.12Å; R56-L60 WeakPolarHBondContact O-CB 3.27Å; R56-L60 VanDerWaalsContact O-CG 3.32Å; R56-L60 WeakPolarHBondContact O-CG 3.48Å; R56-L60 PolarHBondContact O-N 3.42Å; R56-L60 VanDerWaalsContact O-N 3.17Å
57	S	56.4	Low	58.3	Low	65 Å²	65	112 Å²	112	46%	0.455	58%	0.581	S	S	.	*	H	α-helix	trans	-77.4	-24.8	172.9	75.8	0	0	0	0	113.3	N53 V54 D55 L61	N53-S57 WeakPolarHBondContact O-CB 3.44Å; N53-S57 PolarHBondContact O-N 3.43Å; N53-S57 PolarHBondContact O-OG 2.92Å; V54-S57 WeakPolarHBondContact CA-OG 3.4Å; V54-S57 CarbonylContact O-C 3.53Å; V54-S57 WeakPolarHBondContact O-CA 3.17Å; V54-S57 PolarHBondContact O-N 2.92Å; V54-S57 PolarHBondContact O-OG 3.16Å; D55-S57 VanDerWaalsContact C-N 3.28Å; D55-S57 PolarHBondContact O-N 2.96Å; S57-L61 VanDerWaalsContact O-CB 3.24Å; S57-L61 WeakPolarHBondContact O-CB 3.4Å; S57-L61 PolarHBondContact O-N 2.77Å
58	V	56.3	Low	58	Low	90 Å²	90	120.4 Å²	120.4	55%	0.545	61%	0.607	S	S	.	*	H	α-helix	trans	-76.2	-39.3	173.6	171.3	0	0	0	0	110.5	V54 D55 L61 N62	V54-V58 HydrophobicContact CG1-CG2 4.39Å; V54-V58 WeakPolarHBondContact O-CG2 3.44Å; V54-V58 PolarHBondContact O-N 3.2Å; D55-V58 WeakPolarHBondContact O-CB 3.25Å; D55-V58 PolarHBondContact O-N 3.25Å; V58-L61 PolarHBondContact O-N 2.94Å; V58-N62 WeakPolarHBondContact O-CB 3.41Å; V58-N62 PolarHBondContact O-N 2.89Å
59	E	55.2	Low	57.5	Low	126 Å²	126	121.6 Å²	121.6	59%	0.589	62%	0.616	S	S	*	*	H	α-helix	trans	-56.9	-55.9	168.7	-68.5	177.5	150.4	0	0	110.4	D55 L61 N62 E63	D55-E59 PolarHBondContact O-N 3.45Å; E59-L61 VanDerWaalsContact C-N 3.27Å; E59-L61 PolarHBondContact O-N 2.72Å; E59-N62 WeakPolarHBondContact O-CA 3.47Å; E59-N62 WeakPolarHBondContact O-CB 3.43Å; E59-N62 PolarHBondContact O-N 3.43Å; E59-E63 PolarHBondContact O-N 3.11Å; E59-E63 VanDerWaalsContact O-N 3.09Å
60	L	53.8	Low	57.2	Low	117 Å²	117	122 Å²	122	61%	0.613	63%	0.625	S	S	*	*	H	α-helix	trans	-64.6	-21.7	179.9	-71.7	170.7	0	0	0	115.1	R56 N62	R56-L60 WeakPolarHBondContact O-CB 3.27Å; R56-L60 VanDerWaalsContact O-CG 3.32Å; R56-L60 WeakPolarHBondContact O-CG 3.48Å; R56-L60 PolarHBondContact O-N 3.42Å; R56-L60 VanDerWaalsContact O-N 3.17Å; L60-N62 VanDerWaalsContact C-N 3.34Å
61	L	53.2	Low	56.8	Low	152 Å²	152	126.2 Å²	126.2	80%	0.796	65%	0.646	S	S	*	*	H	α-helix	trans	-83.4	-14.6	172.9	-165.1	70.5	0	0	0	112.2	S57 V58 E59	S57-L61 VanDerWaalsContact O-CB 3.24Å; S57-L61 WeakPolarHBondContact O-CB 3.4Å; S57-L61 PolarHBondContact O-N 2.77Å; V58-L61 PolarHBondContact O-N 2.94Å; E59-L61 VanDerWaalsContact C-N 3.27Å; E59-L61 PolarHBondContact O-N 2.72Å
62	N	52.7	Low	56.3	Low	146 Å²	146	127.8 Å²	127.8	78%	0.781	66%	0.658	S	S	*	*	H	α-helix	trans	-92.4	-21.5	174.9	-148.5	56.5	0	0	0	111.5	V58 E59 L60 G64	V58-N62 WeakPolarHBondContact O-CB 3.41Å; V58-N62 PolarHBondContact O-N 2.89Å; E59-N62 WeakPolarHBondContact O-CA 3.47Å; E59-N62 WeakPolarHBondContact O-CB 3.43Å; E59-N62 PolarHBondContact O-N 3.43Å; L60-N62 VanDerWaalsContact C-N 3.34Å; N62-G64 PolarHBondContact O-N 3.21Å
63	E	53.3	Low	56.4	Low	124 Å²	124	134.2 Å²	134.2	58%	0.579	68%	0.681	S	S	*	*	S	Bend	trans	-66.1	66.3	154.5	-109.1	84.3	-121.6	0	0	110.5	E59	E59-E63 PolarHBondContact O-N 3.11Å; E59-E63 VanDerWaalsContact O-N 3.09Å
64	G	50.3	Low	55.9	Low	47 Å²	47	136.8 Å²	136.8	49%	0.485	70%	0.695	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.7	140.8	170.7	0	0	0	0	0	111.2	N62 S66	N62-G64 PolarHBondContact O-N 3.21Å; G64-S66 VanDerWaalsContact C-N 3.29Å; G64-S66 PolarHBondContact O-N 3.36Å
65	D	46.4	Very low	55.7	Low	160 Å²	160	137.5 Å²	137.5	86%	0.856	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.8	39.8	157.9	-47.3	-16.6	0	0	0	115.3	E67	D65-E67 PolarHBondContact O-N 3.43Å
66	S	58.8	Low	55.8	Low	89 Å²	89	140.5 Å²	140.5	62%	0.622	71%	0.712	S	S	*	*			trans	-71	73.2	170.2	-66.2	0	0	0	0	111.2	G64	G64-S66 VanDerWaalsContact C-N 3.29Å; G64-S66 PolarHBondContact O-N 3.36Å
67	E	56.2	Low	56.2	Low	178 Å²	178	140.8 Å²	140.8	83%	0.832	72%	0.718	S	S	*	*			trans	-64	139.9	166.5	-63.9	-169.5	144.3	0	0	109.8	D65 I69	D65-E67 PolarHBondContact O-N 3.43Å; E67-I69 PolarHBondContact O-N 3Å
68	W	62.6	Low	56.1	Low	248 Å²	248	144.3 Å²	144.3	94%	0.939	73%	0.732	S	S	*	*			trans	-68.7	114.8	173	-70.1	83.3	0	0	0	108.2	E70	W68-E70 PolarHBondContact O-N 3.14Å
69	I	57.7	Low	56.3	Low	152 Å²	152	145.5 Å²	145.5	78%	0.779	74%	0.735	S	S	*	*			trans	-75	123.4	173.8	-139.8	163.5	0	0	0	108	E67 E71	E67-I69 PolarHBondContact O-N 3Å; I69-E71 HydrophobicContact CG2-CG 4.37Å; I69-E71 PolarHBondContact O-N 3.02Å
70	E	61.1	Low	56.3	Low	185 Å²	185	143.8 Å²	143.8	86%	0.864	73%	0.734	S	S	*	*			trans	-72.5	109.1	169.7	-66.1	178.8	172.9	0	0	106.8	W68 D72	W68-E70 PolarHBondContact O-N 3.14Å; E70-D72 PolarHBondContact O-N 2.87Å
71	E	64.3	Low	56.3	Low	175 Å²	175	141.7 Å²	141.7	82%	0.818	73%	0.729	S	S	*	*			trans	-70.2	116.8	171.5	-65.6	-169.1	155.3	0	0	108.2	I69 E73	I69-E71 HydrophobicContact CG2-CG 4.37Å; I69-E71 PolarHBondContact O-N 3.02Å; E71-E73 PolarHBondContact O-N 2.99Å
72	D	51.4	Low	56.6	Low	149 Å²	149	137.9 Å²	137.9	80%	0.797	71%	0.709	S	S	*	*			trans	-47	134.4	-178	-85.1	-52.3	0	0	0	111.7	E70 N74 P75	E70-D72 PolarHBondContact O-N 2.87Å; D72-N74 PolarHBondContact O-N 3.14Å; D72-P75 VanDerWaalsContact O-CD 3.27Å; D72-P75 WeakPolarHBondContact O-CD 3.22Å
73	E	63.2	Low	56.8	Low	199 Å²	199	135.6 Å²	135.6	93%	0.93	69%	0.693	S	S	*	*	S	Bend	trans	-59	-4.6	-170.9	-157.5	-175.1	179.5	0	0	115.4	E71	E71-E73 PolarHBondContact O-N 2.99Å
74	N	50.2	Low	57.4	Low	128 Å²	128	130.7 Å²	130.7	68%	0.684	67%	0.67	S	S	*	*			trans	-136.4	72.1	175.6	-170.9	91.1	0	0	0	111	D72 E76	D72-N74 PolarHBondContact O-N 3.14Å; N74-E76 PolarHBondContact O-N 3.16Å
75	P	55.3	Low	57.9	Low	94 Å²	94	134 Å²	134	61%	0.61	68%	0.677	S	S	*	*			trans	-67	121.2	163.1	30.7	-28.7	0	0	0	106.6	D72 F77	D72-P75 VanDerWaalsContact O-CD 3.27Å; D72-P75 WeakPolarHBondContact O-CD 3.22Å; P75-F77 PolarHBondContact O-N 2.96Å
76	E	58	Low	58.4	Low	166 Å²	166	131.5 Å²	131.5	78%	0.776	66%	0.66	S	S	*	*			trans	-76	49	-178.7	-158.5	170.5	-131.2	0	0	111.2	N74 N78	N74-E76 PolarHBondContact O-N 3.16Å; E76-N78 PolarHBondContact O-N 3.11Å; E76-N78 PolarHBondContact O-ND2 2.64Å
77	F	63.7	Low	58.1	Low	166 Å²	166	132.1 Å²	132.1	73%	0.728	66%	0.66	S	S	*	*			trans	-74.6	97.4	-178.9	-152.5	-83	0	0	0	107.8	P75 L79	P75-F77 PolarHBondContact O-N 2.96Å; F77-L79 HydrophobicContact CD1-CD2 3.83Å; F77-L79 HydrophobicContact CD1-CG 4.07Å; F77-L79 HydrophobicContact CE1-CD2 3.97Å; F77-L79 PolarHBondContact O-N 2.9Å
78	N	54.8	Low	58.2	Low	139 Å²	139	130.4 Å²	130.4	74%	0.743	66%	0.656	S	S	*	*			trans	-70.6	70.1	-178.6	-79.1	-101.1	0	0	0	110.6	E76	E76-N78 PolarHBondContact O-N 3.11Å; E76-N78 PolarHBondContact O-ND2 2.64Å
79	L	59.5	Low	57.8	Low	116 Å²	116	126 Å²	126	61%	0.607	65%	0.651	S	S	*	*			trans	-56.7	136.8	158.3	-63.8	177.9	0	0	0	107.5	F77 S81	F77-L79 HydrophobicContact CD1-CD2 3.83Å; F77-L79 HydrophobicContact CD1-CG 4.07Å; F77-L79 HydrophobicContact CE1-CD2 3.97Å; F77-L79 PolarHBondContact O-N 2.9Å; L79-S81 PolarHBondContact O-N 3.48Å
80	P	56.1	Low	57.7	Low	89 Å²	89	121.8 Å²	121.8	58%	0.578	65%	0.645	S	S	*	*			trans	-47.7	115.6	149.3	-19.7	32.5	0	0	0	105.1	D84	P80-D84 VanDerWaalsContact C-OD1 3.29Å; P80-D84 HydrophobicContact CB-CB 3.9Å
81	S	53.6	Low	56.9	Low	73 Å²	73	118.6 Å²	118.6	51%	0.51	64%	0.644	S	S	.	*			trans	-66.2	-138.1	-159.3	-53.4	0	0	0	0	112	L79 D84 K120	L79-S81 PolarHBondContact O-N 3.48Å; S81-D84 WeakPolarHBondContact CA-OD1 3.22Å; S81-D84 WeakPolarHBondContact CB-OD1 3.42Å; S81-D84 PolarHBondContact N-OD1 3.33Å; S81-D84 PolarHBondContact N-OD2 3.11Å; S81-D84 VanDerWaalsContact N-OD2 3.16Å; S81-K120 PolarHBondContact O-NZ 3.34Å
82	L	58.8	Low	56.3	Low	72 Å²	72	118.1 Å²	118.1	38%	0.377	65%	0.645	S	S	.	*	S	Bend	trans	-102.2	66.7	146.3	-89.1	74.3	0	0	0	108.8	K120 K121 T122 A123	L82-K120 VanDerWaalsContact C-CD 3.45Å; L82-K120 HydrophobicContact CB-CD 3.91Å; L82-K120 HydrophobicContact CG-CD 4.01Å; L82-K120 WeakPolarHBondContact O-CB 3.5Å; L82-K121 VanDerWaalsContact O-CA 3.28Å; L82-K121 WeakPolarHBondContact O-CA 2.98Å; L82-K121 WeakPolarHBondContact O-CB 3.43Å; L82-K121 WeakPolarHBondContact O-CG 3.38Å; L82-T122 HydrophobicContact CB-CG2 3.78Å; L82-T122 HydrophobicContact CD2-CG2 3.75Å; L82-T122 HydrophobicContact CG-CG2 4.36Å; L82-A123 HydrophobicContact CD2-CB 3.99Å
83	K	58	Low	56.6	Low	99 Å²	99	118.2 Å²	118.2	43%	0.43	65%	0.645	S	S	.	*	S	Bend	trans	-138.9	-16	-172.1	-166.6	67.3	-137.2	75.7	0	122.2	L119 K120 K121	K83-L119 VanDerWaalsContact NZ-CD2 3.34Å; K83-L119 CarbonylContact O-C 3.55Å; K83-L119 WeakPolarHBondContact O-CA 3.3Å; K83-K120 CarbonylContact C-O 3.21Å; K83-K120 WeakPolarHBondContact CA-O 3.43Å; K83-K120 PolarHBondContact NZ-O 3.34Å; K83-K120 PolarHBondContact O-N 3.45Å; K83-K121 HydrophobicContact CD-CB 4.49Å; K83-K121 HydrophobicContact CD-CG 4.15Å
84	D	65.5	Low	55.6	Low	21 Å²	21	116.4 Å²	116.4	11%	0.112	64%	0.642	C	S	.	*	S	Bend	cis	86.2	28.4	2.4	72.2	-109.2	0	0	0	125.7	P80 S81 S118 K120	P80-D84 VanDerWaalsContact C-OD1 3.29Å; P80-D84 HydrophobicContact CB-CB 3.9Å; S81-D84 WeakPolarHBondContact CA-OD1 3.22Å; S81-D84 WeakPolarHBondContact CB-OD1 3.42Å; S81-D84 PolarHBondContact N-OD1 3.33Å; S81-D84 PolarHBondContact N-OD2 3.11Å; S81-D84 VanDerWaalsContact N-OD2 3.16Å; D84-S118 VanDerWaalsContact C-CB 3.46Å; D84-S118 VanDerWaalsContact CA-C 3.44Å; D84-S118 WeakPolarHBondContact CA-O 3.35Å; D84-S118 VanDerWaalsContact CB-CB 3.49Å; D84-S118 PolarHBondContact N-O 3.14Å; D84-K120 VanDerWaalsContact C-CE 3.48Å; D84-K120 VanDerWaalsContact N-N 3.11Å; D84-K120 WeakPolarHBondContact O-CD 2.92Å; D84-K120 WeakPolarHBondContact O-CE 3.42Å; D84-K120 PolarHBondContact O-NZ 3.01Å; D84-K120 IonicContact OD2-NZ 2.79Å; D84-K120 PolarHBondContact OD2-NZ 3.44Å
85	L	60	Low	55	Low	117 Å²	117	113.7 Å²	113.7	61%	0.613	64%	0.644	S	S	*	*	S	Bend	trans	-169.8	-63.7	139.5	-167.8	60.2	0	0	0	115.4	T87 L119 K120	L85-T87 PolarHBondContact O-N 3.46Å; L85-T87 VanDerWaalsContact O-N 3.16Å; L85-L119 VanDerWaalsContact C-N 3.25Å; L85-L119 CarbonylContact C-O 3.45Å; L85-L119 VanDerWaalsContact N-CA 3.33Å; L85-L119 PolarHBondContact O-N 3.5Å; L85-L119 VanDerWaalsContact O-N 3.12Å; L85-K120 HydrophobicContact CB-CD 4.04Å; L85-K120 HydrophobicContact CB-CG 3.74Å
86	E	56.7	Low	54.3	Low	107 Å²	107	116.7 Å²	116.7	50%	0.5	66%	0.655	S	S	.	*	B	Isolated β-bridge	trans	-56.7	-17.9	-152.1	-67	156.6	161.3	0	0	123.1	L119 K120 K121	E86-L119 CarbonylContact C-O 3.52Å; E86-L119 WeakPolarHBondContact CA-O 3.38Å; E86-L119 PolarHBondContact N-O 3.03Å; E86-K120 HydrophobicContact CB-CB 4.35Å; E86-K120 HydrophobicContact CB-CG 4.21Å; E86-K120 HydrophobicContact CG-CB 4.11Å; E86-K120 HydrophobicContact CG-CG 3.62Å; E86-K120 WeakPolarHBondContact OE2-CA 3.36Å; E86-K120 WeakPolarHBondContact OE2-CB 3.4Å; E86-K121 PolarHBondContact OE2-N 3.31Å
87	T	53.9	Low	53.6	Low	102 Å²	102	116.3 Å²	116.3	63%	0.626	66%	0.659	S	S	*	*	S	Bend	trans	-104.6	51	-174.8	59.2	0	0	0	0	115.1	L85 L119	L85-T87 PolarHBondContact O-N 3.46Å; L85-T87 VanDerWaalsContact O-N 3.16Å; T87-L119 PolarHBondContact N-O 2.94Å; T87-L119 WeakPolarHBondContact OG1-CB 3.34Å; T87-L119 PolarHBondContact OG1-O 3.44Å
88	D	58.3	Low	52.5	Low	142 Å²	142	116.3 Å²	116.3	76%	0.759	66%	0.661	S	S	*	*			trans	-145.4	78.8	147.8	-165.6	13.4	0	0	0	111.7
89	N	54.2	Low	52.1	Low	154 Å²	154	112.9 Å²	112.9	82%	0.824	65%	0.652	S	S	*	*			trans	-123.1	75.5	164.3	-81.8	-58.2	0	0	0	108.6	S91	N89-S91 PolarHBondContact O-N 2.85Å
90	G	55.3	Low	51	Low	64 Å²	64	114 Å²	114	66%	0.66	66%	0.658	S	S	*	*			trans	-62	128.2	178.9	0	0	0	0	0	112.8	I92	G90-I92 PolarHBondContact O-N 3.43Å; G90-I92 VanDerWaalsContact O-N 3.15Å
91	S	44.4	Very low	50.1	Low	119 Å²	119	117.9 Å²	117.9	83%	0.832	67%	0.669	S	S	*	*			trans	-43.3	113.7	173.1	174.9	0	0	0	0	112.9	N89	N89-S91 PolarHBondContact O-N 2.85Å
92	I	50.9	Low	49.6	Very low	165 Å²	165	122.5 Å²	122.5	85%	0.846	69%	0.688	S	S	*	*			trans	-108.2	136.3	159	-151.4	69.9	0	0	0	108.5	G90	G90-I92 PolarHBondContact O-N 3.43Å; G90-I92 VanDerWaalsContact O-N 3.15Å
93	D	58.2	Low	48.5	Very low	151 Å²	151	121.8 Å²	121.8	81%	0.807	70%	0.698	S	S	*	*			trans	-80.7	141.6	-169.1	-160.1	14.5	0	0	0	111.5	G95	D93-G95 PolarHBondContact O-N 3.21Å; D93-G95 VanDerWaalsContact O-N 3.16Å
94	D	41.9	Very low	47.8	Very low	161 Å²	161	126 Å²	126	86%	0.861	72%	0.724	S	S	*	*			trans	-86.9	87.7	-173.2	-165.2	40.2	0	0	0	110.5
95	G	38.9	Very low	46.9	Very low	71 Å²	71	129.8 Å²	129.8	73%	0.732	75%	0.752	S	S	*	*			trans	-102.6	67.8	-166.5	0	0	0	0	0	115.5	D93 D97	D93-G95 PolarHBondContact O-N 3.21Å; D93-G95 VanDerWaalsContact O-N 3.16Å; G95-D97 PolarHBondContact O-N 3.03Å
96	D	39.6	Very low	46	Very low	157 Å²	157	133.2 Å²	133.2	84%	0.84	76%	0.762	S	S	*	*			trans	1.4	103.9	149	-167.7	29.9	0	0	0	117.5
97	D	43.4	Very low	45.5	Very low	158 Å²	158	137.7 Å²	137.7	85%	0.845	78%	0.783	S	S	*	*			trans	-154.2	154.7	138.9	-151	-9.5	0	0	0	111	G95	G95-D97 PolarHBondContact O-N 3.03Å
98	E	40.9	Very low	45.8	Very low	166 Å²	166	142 Å²	142	78%	0.776	79%	0.793	S	S	*	*			trans	-95.7	-174	-171.6	-96.6	-84.3	-165.1	0	0	112.9
99	A	46.1	Very low	45.7	Very low	67 Å²	67	139.4 Å²	139.4	55%	0.554	79%	0.792	S	S	*	*			trans	80.4	103	159.2	0	0	0	0	0	119.8
100	N	35.9	Very low	45.4	Very low	139 Å²	139	144.1 Å²	144.1	74%	0.743	80%	0.798	S	S	*	*				91.8	128.8	120.5	-65.5	-11.8	0	0	0	121.6
101	E	38.4	Very low	45.2	Very low	170 Å²	170	150.8 Å²	150.8	79%	0.794	81%	0.809	S	S	*	*				35.1	95.3	125.2	-37.8	-53.7	107.8	0	0	117.8
102	D	42	Very low	44.9	Very low	171 Å²	171	151.5 Å²	151.5	91%	0.914	81%	0.808	S	S	*	*				178.9	168.7	100.5	-134.1	-34.9	0	0	0	113.7
103	G	36.5	Very low	44.3	Very low	57 Å²	57	146.2 Å²	146.2	59%	0.588	79%	0.794	S	S	*	*			trans	84.5	71.5	143	0	0	0	0	0	119.2	S105	G103-S105 PolarHBondContact O-N 3.38Å
104	L	42.4	Very low	43.7	Very low	188 Å²	188	148.4 Å²	148.4	98%	0.984	80%	0.799	S	S	*	*			trans	-50.6	105.3	158.7	-74.2	167	0	0	0	111.4
105	S	46.4	Very low	43.5	Very low	100 Å²	100	144.2 Å²	144.2	70%	0.699	79%	0.794	S	S	*	*			trans	-145.9	123.3	173	-143.5	0	0	0	0	114.4	G103	G103-S105 PolarHBondContact O-N 3.38Å
106	K	42.2	Very low	43.7	Very low	189 Å²	189	150 Å²	150	82%	0.822	80%	0.802	S	S	*	*			trans	65.3	96.5	164.7	-61.2	169.5	-171.2	171.4	0	115.6	K108	K106-K108 PolarHBondContact O-N 3.26Å
107	Q	45	Very low	43.8	Very low	200 Å²	200	150.3 Å²	150.3	94%	0.935	80%	0.798	S	S	*	*			trans	-33.4	110.3	154.2	-61.7	161.6	-80.5	0	0	111	A109	Q107-A109 PolarHBondContact O-N 3.02Å; Q107-A109 VanDerWaalsContact O-N 3.16Å
108	K	61.4	Low	43.8	Very low	192 Å²	192	145.3 Å²	145.3	84%	0.835	78%	0.776	S	S	*	*			trans	-74.4	106.8	177.9	-165.7	171	-177.2	179.2	0	108	K106 W110	K106-K108 PolarHBondContact O-N 3.26Å; K108-W110 PolarHBondContact O-N 3.2Å
109	A	55.3	Low	44	Very low	89 Å²	89	141.6 Å²	141.6	74%	0.736	76%	0.761	S	S	*	*			trans	-58.1	128.7	174.1	0	0	0	0	0	109.1	Q107 K111	Q107-A109 PolarHBondContact O-N 3.02Å; Q107-A109 VanDerWaalsContact O-N 3.16Å; A109-K111 PolarHBondContact O-N 3.06Å
110	W	49.3	Very low	43.6	Very low	252 Å²	252	140.5 Å²	140.5	96%	0.955	74%	0.744	S	S	*	*			trans	-69.1	103.2	-175.8	-68.8	72.6	0	0	0	109	K108 V112	K108-W110 PolarHBondContact O-N 3.2Å; W110-V112 PolarHBondContact O-N 3.15Å
111	K	49.6	Very low	43.9	Very low	205 Å²	205	140.6 Å²	140.6	89%	0.891	74%	0.737	S	S	*	*			trans	-81.9	96.9	-178	-163.1	-171	-179.2	-159.4	0	109.3	A109	A109-K111 PolarHBondContact O-N 3.06Å
112	V	39.7	Very low	43.5	Very low	134 Å²	134	135.8 Å²	135.8	81%	0.812	72%	0.72	S	S	*	*			trans	-71.6	146.8	169.2	-177.9	0	0	0	0	109.5	W110	W110-V112 PolarHBondContact O-N 3.15Å
113	G	38.3	Very low	43.1	Very low	53 Å²	53	130.3 Å²	130.3	55%	0.546	70%	0.699	S	S	.	*			trans	133.4	83.6	-170.6	0	0	0	0	0	109
114	E	45.2	Very low	42.9	Very low	197 Å²	197	135.4 Å²	135.4	92%	0.921	71%	0.712	S	S	*	*				99.5	124.5	66.7	-84	176.5	158.2	0	0	110.7
115	G	37.3	Very low	42.5	Very low	73 Å²	73	135.4 Å²	135.4	75%	0.753	71%	0.707	S	S	*	*			trans	95.6	134.3	-177.8	0	0	0	0	0	114.6
116	E	43.1	Very low	41.7	Very low	194 Å²	194	139.1 Å²	139.1	91%	0.907	71%	0.714	S	S	*	*			cis	-158.1	-168.9	-15.1	-143.7	164	-151.5	0	0	111.8	S118	E116-S118 PolarHBondContact O-N 3.44Å
117	E	42.3	Very low	41.5	Very low	162 Å²	162	137.1 Å²	137.1	76%	0.757	72%	0.717	S	S	*	*			trans	-72.9	104.7	-157.6	-172.1	171.5	-143.5	0	0	118.4
118	S	42.5	Very low	41	Very low	54 Å²	54	134.8 Å²	134.8	38%	0.378	71%	0.711	S	S	.	*				53.8	119.6	115.3	-37.9	0	0	0	0	123.4	D84 E116	D84-S118 VanDerWaalsContact C-CB 3.46Å; D84-S118 VanDerWaalsContact CA-C 3.44Å; D84-S118 WeakPolarHBondContact CA-O 3.35Å; D84-S118 VanDerWaalsContact CB-CB 3.49Å; D84-S118 PolarHBondContact N-O 3.14Å; E116-S118 PolarHBondContact O-N 3.44Å
119	L	45.3	Very low	40	Very low	87 Å²	87	133.6 Å²	133.6	46%	0.455	71%	0.708	S	S	.	*	B	Isolated β-bridge	trans	-149.6	95.1	167.7	-145.2	175.9	0	0	0	120.8	K83 L85 E86 T87	K83-L119 VanDerWaalsContact NZ-CD2 3.34Å; K83-L119 CarbonylContact O-C 3.55Å; K83-L119 WeakPolarHBondContact O-CA 3.3Å; L85-L119 VanDerWaalsContact C-N 3.25Å; L85-L119 CarbonylContact C-O 3.45Å; L85-L119 VanDerWaalsContact N-CA 3.33Å; L85-L119 PolarHBondContact O-N 3.5Å; L85-L119 VanDerWaalsContact O-N 3.12Å; E86-L119 CarbonylContact C-O 3.52Å; E86-L119 WeakPolarHBondContact CA-O 3.38Å; E86-L119 PolarHBondContact N-O 3.03Å; T87-L119 PolarHBondContact N-O 2.94Å; T87-L119 WeakPolarHBondContact OG1-CB 3.34Å; T87-L119 PolarHBondContact OG1-O 3.44Å
120	K	37.8	Very low	39.1	Very low	45 Å²	45	134.6 Å²	134.6	20%	0.196	71%	0.705	C	S	.	*			trans	-109.5	176.8	178.5	-61.1	135.4	-172.9	159.8	0	115.6	S81 L82 K83 D84 L85 E86	S81-K120 PolarHBondContact O-NZ 3.34Å; L82-K120 VanDerWaalsContact C-CD 3.45Å; L82-K120 HydrophobicContact CB-CD 3.91Å; L82-K120 HydrophobicContact CG-CD 4.01Å; L82-K120 WeakPolarHBondContact O-CB 3.5Å; K83-K120 CarbonylContact C-O 3.21Å; K83-K120 WeakPolarHBondContact CA-O 3.43Å; K83-K120 PolarHBondContact NZ-O 3.34Å; K83-K120 PolarHBondContact O-N 3.45Å; D84-K120 VanDerWaalsContact C-CE 3.48Å; D84-K120 VanDerWaalsContact N-N 3.11Å; D84-K120 WeakPolarHBondContact O-CD 2.92Å; D84-K120 WeakPolarHBondContact O-CE 3.42Å; D84-K120 PolarHBondContact O-NZ 3.01Å; D84-K120 IonicContact OD2-NZ 2.79Å; D84-K120 PolarHBondContact OD2-NZ 3.44Å; L85-K120 HydrophobicContact CB-CD 4.04Å; L85-K120 HydrophobicContact CB-CG 3.74Å; E86-K120 HydrophobicContact CB-CB 4.35Å; E86-K120 HydrophobicContact CB-CG 4.21Å; E86-K120 HydrophobicContact CG-CB 4.11Å; E86-K120 HydrophobicContact CG-CG 3.62Å; E86-K120 WeakPolarHBondContact OE2-CA 3.36Å; E86-K120 WeakPolarHBondContact OE2-CB 3.4Å
121	K	41.5	Very low	38.6	Very low	140 Å²	140	129.3 Å²	129.3	61%	0.609	70%	0.701	S	S	*	*				178.1	134.9	124.3	-128.5	-146.6	170.8	-81.8	0	110.3	L82 K83 E86	L82-K121 VanDerWaalsContact O-CA 3.28Å; L82-K121 WeakPolarHBondContact O-CA 2.98Å; L82-K121 WeakPolarHBondContact O-CB 3.43Å; L82-K121 WeakPolarHBondContact O-CG 3.38Å; K83-K121 HydrophobicContact CD-CB 4.49Å; K83-K121 HydrophobicContact CD-CG 4.15Å; E86-K121 PolarHBondContact OE2-N 3.31Å
122	T	31.4	Very low	38.3	Very low	70 Å²	70	127.1 Å²	127.1	43%	0.429	69%	0.693	S	S	.	*			cis	-149	156.8	-9.3	-27.3	0	0	0	0	107.2	L82	L82-T122 HydrophobicContact CB-CG2 3.78Å; L82-T122 HydrophobicContact CD2-CG2 3.75Å; L82-T122 HydrophobicContact CG-CG2 4.36Å
123	A	33.4	Very low	38.6	Very low	56 Å²	56	126.7 Å²	126.7	46%	0.463	68%	0.683	S	S	.	*			trans	-58.2	157.9	157.3	0	0	0	0	0	112.7	L82	L82-A123 HydrophobicContact CD2-CB 3.99Å
124	D	32.3	Very low	39	Very low	164 Å²	164	135 Å²	135	88%	0.877	70%	0.698	S	S	*	*				-170.6	92.8	108.8	-83.2	-23.1	0	0	0	109.5
125	E	34	Very low	39.4	Very low	187 Å²	187	132.3 Å²	132.3	87%	0.874	68%	0.683	S	S	*	*			trans	-129.8	152.9	164.7	-173.9	162.6	-160.1	0	0	109.3
126	Q	28.6	Very low	40.6	Very low	179 Å²	179	134.1 Å²	134.1	84%	0.836	68%	0.684	S	S	*	*			trans	-75.6	151.7	-173.7	-61.1	145.2	32.4	0	0	111.4
127	V	38.5	Very low	41.8	Very low	147 Å²	147	137 Å²	137	89%	0.891	69%	0.687	S	S	*	*			trans	-147.5	121.8	156.3	-114	0	0	0	0	111.2
128	D	34.8	Very low	43.5	Very low	150 Å²	150	133 Å²	133	80%	0.802	68%	0.681	S	S	*	*			trans	-87.5	176.1	164.5	-94.6	-57.6	0	0	0	111.3
129	E	39.1	Very low	45.3	Very low	167 Å²	167	139.8 Å²	139.8	78%	0.78	70%	0.699	S	S	*	*			trans	69.1	120.4	158.3	-76.7	-155.6	77	0	0	122.1
130	V	36.5	Very low	46.9	Very low	111 Å²	111	138.3 Å²	138.3	67%	0.673	69%	0.694	S	S	*	*				57	112.4	126.8	-175.8	0	0	0	0	119.7
131	T	38.8	Very low	48.3	Very low	141 Å²	141	139 Å²	139	87%	0.865	70%	0.703	S	S	*	*				-147	128	127.5	-28.2	0	0	0	0	112.3	E133	T131-E133 PolarHBondContact O-N 3.34Å
132	E	44.9	Very low	49.8	Very low	158 Å²	158	137.2 Å²	137.2	74%	0.738	71%	0.706	S	S	*	*			trans	-68.7	101.5	179.2	-95	-83.8	101.1	0	0	112.8	R134	E132-R134 PolarHBondContact O-N 2.95Å
133	E	45.7	Very low	51.8	Low	126 Å²	126	137.7 Å²	137.7	59%	0.589	72%	0.717	S	S	*	*			trans	-72.6	87.8	167.9	-79.5	-165.5	90.1	0	0	111.2	T131 K135	T131-E133 PolarHBondContact O-N 3.34Å; E133-K135 HydrophobicContact CB-CD 4.31Å; E133-K135 HydrophobicContact CB-CG 4.32Å; E133-K135 VanDerWaalsContact CD-NZ 3.27Å; E133-K135 PolarHBondContact O-N 3.43Å; E133-K135 WeakPolarHBondContact OE1-CE 3.48Å; E133-K135 IonicContact OE1-NZ 3.01Å; E133-K135 VanDerWaalsContact OE2-CE 3.25Å; E133-K135 WeakPolarHBondContact OE2-CE 3.48Å; E133-K135 IonicContact OE2-NZ 3.63Å; E133-K135 PolarHBondContact OE2-NZ 2.93Å
134	R	45.5	Very low	53.2	Low	227 Å²	227	139.9 Å²	139.9	86%	0.857	72%	0.72	S	S	*	*			trans	-63.4	72	167	-74.6	-174.1	173.1	-179.9	0.3	111.9	E132 S136	E132-R134 PolarHBondContact O-N 2.95Å; R134-S136 PolarHBondContact O-N 3.39Å
135	K	54.3	Low	54.7	Low	141 Å²	141	139.3 Å²	139.3	61%	0.613	71%	0.71	S	S	*	*			trans	-63.2	98.7	178.2	-79.4	157.9	-179.5	153.3	0	110.1	E133 R137	E133-K135 HydrophobicContact CB-CD 4.31Å; E133-K135 HydrophobicContact CB-CG 4.32Å; E133-K135 VanDerWaalsContact CD-NZ 3.27Å; E133-K135 PolarHBondContact O-N 3.43Å; E133-K135 WeakPolarHBondContact OE1-CE 3.48Å; E133-K135 IonicContact OE1-NZ 3.01Å; E133-K135 VanDerWaalsContact OE2-CE 3.25Å; E133-K135 WeakPolarHBondContact OE2-CE 3.48Å; E133-K135 IonicContact OE2-NZ 3.63Å; E133-K135 PolarHBondContact OE2-NZ 2.93Å; K135-R137 PolarHBondContact O-N 2.77Å; K135-R137 VanDerWaalsContact O-N 3.16Å
136	S	62.6	Low	56.1	Low	110 Å²	110	133.7 Å²	133.7	77%	0.769	70%	0.695	S	S	*	*			trans	-51.8	119.8	175.6	53.7	0	0	0	0	109.6	R134 A138	R134-S136 PolarHBondContact O-N 3.39Å; S136-A138 PolarHBondContact O-N 3.49Å
137	R	67.6	Low	57.3	Low	256 Å²	256	132.1 Å²	132.1	97%	0.966	69%	0.688	S	S	*	*			trans	-76.7	69	-163.9	-160.5	178.5	-168.4	179.3	4.7	112.2	K135	K135-R137 PolarHBondContact O-N 2.77Å; K135-R137 VanDerWaalsContact O-N 3.16Å
138	A	78.9	Confident	58	Low	77 Å²	77	130.9 Å²	130.9	64%	0.636	68%	0.675	S	S	*	*			trans	-57.6	145.2	176.8	0	0	0	0	0	111.2	S136 V140	S136-A138 PolarHBondContact O-N 3.49Å; A138-V140 PolarHBondContact O-N 2.93Å; A138-V140 VanDerWaalsContact O-N 3.11Å
139	Y	80.6	Confident	59.1	Low	196 Å²	196	127.9 Å²	127.9	77%	0.769	67%	0.672	S	S	*	*			trans	-70.7	107.1	173.5	177.6	-95.8	0	0	0	109.5	P141	Y139-P141 HydrophobicContact CD1-CG 4.35Å; Y139-P141 HydrophobicContact CE1-CB 4.42Å; Y139-P141 HydrophobicContact CE1-CG 4.07Å; Y139-P141 WeakPolarHBondContact O-CD 3.28Å
140	V	78.1	Confident	59.8	Low	56 Å²	56	125.1 Å²	125.1	34%	0.339	67%	0.667	S	S	.	*			trans	-91.8	114.6	173.1	-179.8	0	0	0	0	108.3	A138 L144 K145 L148	A138-V140 PolarHBondContact O-N 2.93Å; A138-V140 VanDerWaalsContact O-N 3.11Å; V140-L144 HydrophobicContact CG1-CB 3.64Å; V140-K145 HydrophobicContact CG1-CB 4.23Å; V140-L148 HydrophobicContact CG1-CD1 4.03Å; V140-L148 HydrophobicContact CG2-CD1 4.04Å
141	P	67.1	Low	60.5	Low	59 Å²	59	130.1 Å²	130.1	38%	0.383	67%	0.673	S	S	.	*			trans	-58.1	147.4	173.8	-23.8	34.2	0	0	0	111.3	Y139 A143 L144 K145	Y139-P141 HydrophobicContact CD1-CG 4.35Å; Y139-P141 HydrophobicContact CE1-CB 4.42Å; Y139-P141 HydrophobicContact CE1-CG 4.07Å; Y139-P141 WeakPolarHBondContact O-CD 3.28Å; P141-A143 VanDerWaalsContact C-N 3.26Å; P141-A143 PolarHBondContact O-N 3.01Å; P141-L144 PolarHBondContact O-N 3.04Å; P141-K145 PolarHBondContact O-N 3.31Å
142	P	72.3	Confident	60.9	Low	103 Å²	103	128.7 Å²	128.7	67%	0.669	66%	0.664	S	S	*	*	H	α-helix	trans	-50.5	-39.9	-169.7	-31.1	35.9	0	0	0	115.3	L144 K145	P142-L144 VanDerWaalsContact C-N 3.29Å; P142-L144 PolarHBondContact O-N 2.76Å; P142-K145 WeakPolarHBondContact O-CB 2.87Å; P142-K145 PolarHBondContact O-N 3.31Å; P142-K145 VanDerWaalsContact O-N 3.14Å
143	A	73.5	Confident	61.4	Low	80 Å²	80	126.2 Å²	126.2	66%	0.661	67%	0.67	S	S	*	*	H	α-helix	trans	-59.8	-32.8	179.2	0	0	0	0	0	114.2	P141	P141-A143 VanDerWaalsContact C-N 3.26Å; P141-A143 PolarHBondContact O-N 3.01Å
144	L	64	Low	61.8	Low	102 Å²	102	128.1 Å²	128.1	53%	0.534	68%	0.677	S	S	.	*	H	α-helix	trans	-84.8	-19.4	178.7	-68.5	179.7	0	0	0	112.9	V140 P141 P142 A146 H147	V140-L144 HydrophobicContact CG1-CB 3.64Å; P141-L144 PolarHBondContact O-N 3.04Å; P142-L144 VanDerWaalsContact C-N 3.29Å; P142-L144 PolarHBondContact O-N 2.76Å; L144-A146 VanDerWaalsContact C-N 3.26Å; L144-A146 PolarHBondContact O-N 3.15Å; L144-H147 PolarHBondContact O-N 3.16Å
145	K	64.1	Low	62.5	Low	152 Å²	152	126 Å²	126	66%	0.661	68%	0.677	S	S	*	*	H	α-helix	trans	-66.2	-29.3	-179.4	-164.7	-179.3	178.1	-169.8	0	112.3	V140 P141 P142 L148	V140-K145 HydrophobicContact CG1-CB 4.23Å; P141-K145 PolarHBondContact O-N 3.31Å; P142-K145 WeakPolarHBondContact O-CB 2.87Å; P142-K145 PolarHBondContact O-N 3.31Å; P142-K145 VanDerWaalsContact O-N 3.14Å; K145-L148 PolarHBondContact O-N 3.35Å
146	A	63.5	Low	63	Low	69 Å²	69	124.6 Å²	124.6	57%	0.57	68%	0.68	S	S	*	*	H	α-helix	trans	-61.9	-40.2	176	0	0	0	0	0	112.9	L144	L144-A146 VanDerWaalsContact C-N 3.26Å; L144-A146 PolarHBondContact O-N 3.15Å
147	H	53.7	Low	62.8	Low	146 Å²	146	125.4 Å²	125.4	68%	0.676	68%	0.675	S	S	*	*	H	α-helix	trans	-79.8	-14.8	-177.6	-63.2	-60.1	0	0	0	114.4	L144	L144-H147 PolarHBondContact O-N 3.16Å
148	L	52.6	Low	62.4	Low	121 Å²	121	120.1 Å²	120.1	63%	0.634	67%	0.666	S	S	*	*	H	α-helix	trans	-85.2	-13.3	176.2	-77.7	167.6	0	0	0	113.5	V140 K145 T150	V140-L148 HydrophobicContact CG1-CD1 4.03Å; V140-L148 HydrophobicContact CG2-CD1 4.04Å; K145-L148 PolarHBondContact O-N 3.35Å; L148-T150 VanDerWaalsContact C-N 3.31Å; L148-T150 PolarHBondContact O-N 3.29Å
149	A	58.5	Low	61.5	Low	88 Å²	88	122.6 Å²	122.6	73%	0.727	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-10.7	-175.9	0	0	0	0	0	114.4
150	T	52.9	Low	60.5	Low	109 Å²	109	116.6 Å²	116.6	67%	0.669	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	14	-166.7	56.6	0	0	0	0	114.7	L148	L148-T150 VanDerWaalsContact C-N 3.31Å; L148-T150 PolarHBondContact O-N 3.29Å
151	R	50.5	Low	59.7	Low	215 Å²	215	117.7 Å²	117.7	81%	0.811	67%	0.674	S	S	*	*	S	Bend	trans	-140	143.8	-179.6	-65.9	-173.5	178	168	-0.1	112.6
152	V	47.7	Very low	59.6	Low	112 Å²	112	122.7 Å²	122.7	68%	0.679	70%	0.698	S	S	*	*			trans	67.8	60.2	178.2	-157.7	0	0	0	0	114	K154	V152-K154 HydrophobicContact CG1-CB 4.35Å; V152-K154 HydrophobicContact CG1-CD 4.4Å; V152-K154 HydrophobicContact CG1-CG 3.86Å; V152-K154 PolarHBondContact O-N 3.28Å
153	A	54.5	Low	59.3	Low	105 Å²	105	125.9 Å²	125.9	87%	0.868	70%	0.704	S	S	*	*			trans	-69.7	103.9	136.3	0	0	0	0	0	106.5
154	K	55.4	Low	59.1	Low	166 Å²	166	129.3 Å²	129.3	72%	0.722	70%	0.704	S	S	*	*			trans	-88.5	123.6	163.8	-100.5	-175.2	174.2	-171.4	0	106.6	V152 V156	V152-K154 HydrophobicContact CG1-CB 4.35Å; V152-K154 HydrophobicContact CG1-CD 4.4Å; V152-K154 HydrophobicContact CG1-CG 3.86Å; V152-K154 PolarHBondContact O-N 3.28Å; K154-V156 PolarHBondContact O-N 3.38Å
155	E	59	Low	59.3	Low	183 Å²	183	129.8 Å²	129.8	86%	0.855	71%	0.714	S	S	*	*			trans	-70.6	126.1	171.2	-61.2	-172.8	172.3	0	0	108.6
156	V	64.8	Low	59.8	Low	111 Å²	111	125 Å²	125	67%	0.673	70%	0.699	S	S	*	*			trans	-114.1	119.9	172.5	178.1	0	0	0	0	105.6	K154 L158	K154-V156 PolarHBondContact O-N 3.38Å; V156-L158 PolarHBondContact O-N 2.88Å
157	N	58.6	Low	60.1	Low	127 Å²	127	129.5 Å²	129.5	68%	0.679	71%	0.713	S	S	*	*			trans	-68	102.8	-175.3	-70	-46	0	0	0	110.5	T159	N157-T159 PolarHBondContact O-N 3.12Å
158	L	59.6	Low	61.1	Low	146 Å²	146	126.5 Å²	126.5	76%	0.764	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	32.9	179.9	-61.3	178.2	0	0	0	113.1	V156	V156-L158 PolarHBondContact O-N 2.88Å
159	T	61.1	Low	62.4	Low	128 Å²	128	124.7 Å²	124.7	79%	0.785	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-19.5	-175.4	45.4	0	0	0	0	113.5	N157 A161	N157-T159 PolarHBondContact O-N 3.12Å; T159-A161 PolarHBondContact O-N 3.24Å; T159-A161 VanDerWaalsContact O-N 3.14Å
160	S	58.6	Low	63.4	Low	70 Å²	70	123.1 Å²	123.1	49%	0.49	69%	0.687	S	S	.	*			trans	-81.2	79.4	173.4	44.2	0	0	0	0	111.9	D162	S160-D162 PolarHBondContact O-N 3.29Å; S160-D162 VanDerWaalsContact O-N 3.12Å
161	A	61.5	Low	64.7	Low	79 Å²	79	122 Å²	122	65%	0.653	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-64.3	-11.9	176.3	0	0	0	0	0	114.4	T159 E163	T159-A161 PolarHBondContact O-N 3.24Å; T159-A161 VanDerWaalsContact O-N 3.14Å; A161-E163 VanDerWaalsContact C-N 3.35Å; A161-E163 PolarHBondContact O-N 3.43Å
162	D	64.8	Low	66.1	Low	165 Å²	165	116.5 Å²	116.5	88%	0.882	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-74	-14.1	-176.9	-70.4	-44.2	0	0	0	114.9	S160	S160-D162 PolarHBondContact O-N 3.29Å; S160-D162 VanDerWaalsContact O-N 3.12Å
163	E	66.3	Low	67.6	Low	169 Å²	169	117 Å²	117	79%	0.79	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-92.9	-9	-176.6	-151.7	177.4	-159.8	0	0	114.1	A161	A161-E163 VanDerWaalsContact C-N 3.35Å; A161-E163 PolarHBondContact O-N 3.43Å
164	F	68.6	Low	68.8	Low	153 Å²	153	119 Å²	119	67%	0.671	65%	0.647	S	S	*	*	S	Bend	trans	-84.1	131.5	171.2	-71.8	-85	0	0	0	110.5	S166	F164-S166 PolarHBondContact O-N 2.96Å; F164-S166 VanDerWaalsContact O-N 3.16Å
165	P	70	Confident	70.1	Confident	112 Å²	112	115.3 Å²	115.3	73%	0.727	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-58.9	124.1	172.6	25.5	-33.3	0	0	0	109
166	S	72.8	Confident	71.1	Confident	52 Å²	52	108.9 Å²	108.9	36%	0.364	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-70.9	161.7	-171.9	79.3	0	0	0	0	111	F164 S168 D169 A170	F164-S166 PolarHBondContact O-N 2.96Å; F164-S166 VanDerWaalsContact O-N 3.16Å; S166-S168 PolarHBondContact O-N 2.91Å; S166-S168 VanDerWaalsContact O-N 3.11Å; S166-S168 WeakPolarHBondContact OG-CB 3.47Å; S166-S168 PolarHBondContact OG-N 2.98Å; S166-D169 WeakPolarHBondContact CA-OD2 3.32Å; S166-D169 VanDerWaalsContact CB-OD2 3.28Å; S166-D169 WeakPolarHBondContact CB-OD2 3.49Å; S166-D169 PolarHBondContact N-OD2 3.01Å; S166-D169 WeakPolarHBondContact O-CB 3.5Å; S166-D169 PolarHBondContact O-N 3.37Å; S166-D169 PolarHBondContact OG-N 2.98Å; S166-D169 PolarHBondContact OG-OD2 3.18Å; S166-A170 PolarHBondContact O-N 3.24Å
167	L	70.6	Confident	71.5	Confident	162 Å²	162	108.3 Å²	108.3	85%	0.848	60%	0.599	S	S	*	*	H	α-helix	trans	-61.2	-19.8	172.5	-67.5	175.6	0	0	0	112.5	D171	L167-D171 PolarHBondContact O-N 3.16Å
168	S	75.6	Confident	72.2	Confident	83 Å²	83	105.4 Å²	105.4	58%	0.58	58%	0.583	S	S	*	*	H	α-helix	trans	-68.3	-39.5	172.8	-44.1	0	0	0	0	112	S166 A170 D171 D172	S166-S168 PolarHBondContact O-N 2.91Å; S166-S168 VanDerWaalsContact O-N 3.11Å; S166-S168 WeakPolarHBondContact OG-CB 3.47Å; S166-S168 PolarHBondContact OG-N 2.98Å; S168-A170 VanDerWaalsContact C-N 3.32Å; S168-A170 PolarHBondContact O-N 2.78Å; S168-D171 WeakPolarHBondContact O-CB 3.48Å; S168-D171 PolarHBondContact O-N 3.12Å; S168-D171 VanDerWaalsContact O-N 3.16Å; S168-D172 PolarHBondContact O-N 2.69Å
169	D	79.9	Confident	72.6	Confident	83 Å²	83	102.8 Å²	102.8	44%	0.444	57%	0.57	S	S	.	*	H	α-helix	trans	-65.9	-37	179.4	-58.9	-75.8	0	0	0	111.3	S166 D171 D172 I173	S166-D169 WeakPolarHBondContact CA-OD2 3.32Å; S166-D169 VanDerWaalsContact CB-OD2 3.28Å; S166-D169 WeakPolarHBondContact CB-OD2 3.49Å; S166-D169 PolarHBondContact N-OD2 3.01Å; S166-D169 WeakPolarHBondContact O-CB 3.5Å; S166-D169 PolarHBondContact O-N 3.37Å; S166-D169 PolarHBondContact OG-N 2.98Å; S166-D169 PolarHBondContact OG-OD2 3.18Å; D169-D171 VanDerWaalsContact C-N 3.33Å; D169-D171 PolarHBondContact O-N 2.88Å; D169-D172 PolarHBondContact O-N 2.88Å; D169-I173 VanDerWaalsContact O-CG1 3.29Å; D169-I173 WeakPolarHBondContact O-CG1 3.46Å; D169-I173 PolarHBondContact O-N 3.02Å
170	A	78	Confident	72.8	Confident	56 Å²	56	103.6 Å²	103.6	46%	0.463	56%	0.562	S	S	.	*	H	α-helix	trans	-63.6	-38.4	173.1	0	0	0	0	0	112.3	S166 S168 I173 Y174	S166-A170 PolarHBondContact O-N 3.24Å; S168-A170 VanDerWaalsContact C-N 3.32Å; S168-A170 PolarHBondContact O-N 2.78Å; A170-I173 PolarHBondContact O-N 2.94Å; A170-Y174 PolarHBondContact O-N 2.87Å
171	D	80.1	Confident	73	Confident	84 Å²	84	107.3 Å²	107.3	45%	0.449	57%	0.569	S	S	.	*	H	α-helix	trans	-69.9	-35.1	179.7	-144.4	47	0	0	0	111.8	L167 S168 D169 Y174 K175	L167-D171 PolarHBondContact O-N 3.16Å; S168-D171 WeakPolarHBondContact O-CB 3.48Å; S168-D171 PolarHBondContact O-N 3.12Å; S168-D171 VanDerWaalsContact O-N 3.16Å; D169-D171 VanDerWaalsContact C-N 3.33Å; D169-D171 PolarHBondContact O-N 2.88Å; D171-Y174 PolarHBondContact O-N 2.79Å; D171-K175 WeakPolarHBondContact O-CG 3.24Å; D171-K175 PolarHBondContact O-N 3.01Å; D171-K175 WeakPolarHBondContact OD2-CE 3.48Å; D171-K175 IonicContact OD2-NZ 2.61Å; D171-K175 PolarHBondContact OD2-NZ 2.88Å
172	D	81.2	Confident	72.8	Confident	100 Å²	100	111.2 Å²	111.2	54%	0.535	57%	0.572	S	S	.	*	H	α-helix	trans	-75.8	-32.9	174.4	-81.3	-1.6	0	0	0	113	S168 D169 Y174 K175 A176	S168-D172 PolarHBondContact O-N 2.69Å; D169-D172 PolarHBondContact O-N 2.88Å; D172-Y174 VanDerWaalsContact C-N 3.32Å; D172-Y174 PolarHBondContact O-N 3.16Å; D172-K175 PolarHBondContact O-N 3.34Å; D172-K175 IonicContact OD1-NZ 3.51Å; D172-K175 PolarHBondContact OD1-NZ 2.98Å; D172-A176 VanDerWaalsContact O-CB 3.32Å; D172-A176 WeakPolarHBondContact O-CB 3.43Å; D172-A176 PolarHBondContact O-N 3.02Å
173	I	79.3	Confident	72.2	Confident	123 Å²	123	108.2 Å²	108.2	63%	0.631	56%	0.559	S	S	*	*	H	α-helix	trans	-59.4	-44.4	167.2	-70.3	164.8	0	0	0	110.3	D169 A170 A176 E177	D169-I173 VanDerWaalsContact O-CG1 3.29Å; D169-I173 WeakPolarHBondContact O-CG1 3.46Å; D169-I173 PolarHBondContact O-N 3.02Å; A170-I173 PolarHBondContact O-N 2.94Å; I173-A176 PolarHBondContact O-N 3.32Å; I173-E177 PolarHBondContact O-N 3.17Å; I173-E177 VanDerWaalsContact O-N 3.11Å
174	Y	80.1	Confident	71.1	Confident	147 Å²	147	106.9 Å²	106.9	58%	0.576	56%	0.563	S	S	*	*	H	α-helix	trans	-63.8	-43.8	177.5	-176.8	-102.9	0	0	0	112.4	A170 D171 D172 A176 E177 I178	A170-Y174 PolarHBondContact O-N 2.87Å; D171-Y174 PolarHBondContact O-N 2.79Å; D172-Y174 VanDerWaalsContact C-N 3.32Å; D172-Y174 PolarHBondContact O-N 3.16Å; Y174-A176 PolarHBondContact O-N 3.01Å; Y174-E177 PolarHBondContact O-N 2.88Å; Y174-E177 VanDerWaalsContact O-N 3.15Å; Y174-I178 HydrophobicContact CE1-CG2 4.34Å; Y174-I178 PolarHBondContact O-N 2.75Å
175	K	82.1	Confident	70	Confident	89 Å²	89	104.9 Å²	104.9	39%	0.387	57%	0.565	S	S	.	*	H	α-helix	trans	-61.8	-42.2	174.8	-71.7	166.4	-158.1	142.1	0	112	D171 D172 E177 I178 D179	D171-K175 WeakPolarHBondContact O-CG 3.24Å; D171-K175 PolarHBondContact O-N 3.01Å; D171-K175 WeakPolarHBondContact OD2-CE 3.48Å; D171-K175 IonicContact OD2-NZ 2.61Å; D171-K175 PolarHBondContact OD2-NZ 2.88Å; D172-K175 PolarHBondContact O-N 3.34Å; D172-K175 IonicContact OD1-NZ 3.51Å; D172-K175 PolarHBondContact OD1-NZ 2.98Å; K175-E177 PolarHBondContact O-N 2.69Å; K175-I178 WeakPolarHBondContact O-CG1 3.42Å; K175-I178 PolarHBondContact O-N 3.18Å; K175-D179 PolarHBondContact O-N 2.87Å
176	A	79.4	Confident	68.6	Low	48 Å²	48	108.8 Å²	108.8	40%	0.397	57%	0.571	S	S	.	*	H	α-helix	trans	-63.6	-26.3	175.5	0	0	0	0	0	113.2	D172 I173 Y174 K180	D172-A176 VanDerWaalsContact O-CB 3.32Å; D172-A176 WeakPolarHBondContact O-CB 3.43Å; D172-A176 PolarHBondContact O-N 3.02Å; I173-A176 PolarHBondContact O-N 3.32Å; Y174-A176 PolarHBondContact O-N 3.01Å; A176-K180 VanDerWaalsContact O-CD 3.29Å; A176-K180 WeakPolarHBondContact O-CD 3.43Å; A176-K180 VanDerWaalsContact O-CG 3.23Å; A176-K180 WeakPolarHBondContact O-CG 3.48Å
177	E	73.4	Confident	67.2	Low	99 Å²	99	112.4 Å²	112.4	46%	0.463	59%	0.593	S	S	.	*	H	α-helix	trans	-78.4	-37.5	175.1	-151.8	-157.5	127.2	0	0	113	I173 Y174 K175 K181	I173-E177 PolarHBondContact O-N 3.17Å; I173-E177 VanDerWaalsContact O-N 3.11Å; Y174-E177 PolarHBondContact O-N 2.88Å; Y174-E177 VanDerWaalsContact O-N 3.15Å; K175-E177 PolarHBondContact O-N 2.69Å; E177-K181 WeakPolarHBondContact OE1-CE 3.27Å; E177-K181 IonicContact OE1-NZ 2.83Å; E177-K181 PolarHBondContact OE1-NZ 3.33Å
178	I	74	Confident	65.6	Low	66 Å²	66	110.6 Å²	110.6	34%	0.338	59%	0.592	S	S	.	*	H	α-helix	trans	-71.8	-33.2	179.8	60.4	173.1	0	0	0	113	Y174 K175 K181	Y174-I178 HydrophobicContact CE1-CG2 4.34Å; Y174-I178 PolarHBondContact O-N 2.75Å; K175-I178 WeakPolarHBondContact O-CG1 3.42Å; K175-I178 PolarHBondContact O-N 3.18Å; I178-K181 WeakPolarHBondContact O-CB 3.47Å; I178-K181 PolarHBondContact O-N 3.35Å
179	D	67.9	Low	63.8	Low	91 Å²	91	112.2 Å²	112.2	49%	0.487	60%	0.601	S	S	.	*	H	α-helix	trans	-77.3	-28.9	177.5	-78.4	-21.2	0	0	0	112.9	K175 K181 K182 T183	K175-D179 PolarHBondContact O-N 2.87Å; D179-K181 PolarHBondContact O-N 3.48Å; D179-K182 PolarHBondContact O-N 2.66Å; D179-K182 IonicContact OD1-NZ 2.58Å; D179-T183 PolarHBondContact O-N 2.93Å; D179-T183 PolarHBondContact O-OG1 2.73Å
180	K	65.1	Low	61.8	Low	145 Å²	145	113.4 Å²	113.4	63%	0.63	62%	0.616	S	S	*	*	H	α-helix	trans	-59.8	-22.2	166	-75.6	170.3	-172.1	167.1	0	113	A176	A176-K180 VanDerWaalsContact O-CD 3.29Å; A176-K180 WeakPolarHBondContact O-CD 3.43Å; A176-K180 VanDerWaalsContact O-CG 3.23Å; A176-K180 WeakPolarHBondContact O-CG 3.48Å
181	K	62.2	Low	59.8	Low	147 Å²	147	116.5 Å²	116.5	64%	0.639	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-12.3	175.3	-65.7	168.1	-171.7	168.8	0	113.7	E177 I178 D179	E177-K181 WeakPolarHBondContact OE1-CE 3.27Å; E177-K181 IonicContact OE1-NZ 2.83Å; E177-K181 PolarHBondContact OE1-NZ 3.33Å; I178-K181 WeakPolarHBondContact O-CB 3.47Å; I178-K181 PolarHBondContact O-N 3.35Å; D179-K181 PolarHBondContact O-N 3.48Å
182	K	57.9	Low	57.9	Low	162 Å²	162	116.4 Å²	116.4	70%	0.704	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-18.6	176.8	-70.7	178.3	-172.6	155.6	0	114.2	D179	D179-K182 PolarHBondContact O-N 2.66Å; D179-K182 IonicContact OD1-NZ 2.58Å
183	T	52.7	Low	55.8	Low	102 Å²	102	120.4 Å²	120.4	63%	0.626	66%	0.656	S	S	*	*	S	Bend	trans	-115.3	106	178.8	46.6	0	0	0	0	109.8	D179 P185	D179-T183 PolarHBondContact O-N 2.93Å; D179-T183 PolarHBondContact O-OG1 2.73Å; T183-P185 WeakPolarHBondContact O-CD 3.36Å
184	T	42.2	Very low	54.1	Low	141 Å²	141	120.3 Å²	120.3	87%	0.865	66%	0.661	S	S	*	*			trans	-64	111.5	-170.9	22.5	0	0	0	0	112.6
185	P	45.1	Very low	52.3	Low	110 Å²	110	120.4 Å²	120.4	71%	0.714	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-72.4	132.4	174.1	-13.3	30.7	0	0	0	109.5	T183	T183-P185 WeakPolarHBondContact O-CD 3.36Å
186	K	41.7	Very low	50.7	Low	195 Å²	195	121.5 Å²	121.5	85%	0.848	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-66.1	142.3	167.1	-77	178.1	177.3	173.1	0	109.3	C188	K186-C188 PolarHBondContact O-N 2.73Å
187	P	41.9	Very low	48.7	Very low	127 Å²	127	130.8 Å²	130.8	83%	0.825	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-68.2	128.2	178.5	28	-34.1	0	0	0	111
188	C	37.9	Very low	47.8	Very low	124 Å²	124	134.1 Å²	134.1	84%	0.838	73%	0.728	S	S	*	*			trans	-131.3	150.3	161.4	-86.8	0	0	0	0	109.1	K186	K186-C188 PolarHBondContact O-N 2.73Å
189	P	38.8	Very low	46.5	Very low	118 Å²	118	136.7 Å²	136.7	77%	0.766	75%	0.749	S	S	*	*			trans	-98.2	156	-157.2	37.2	-36.1	0	0	0	114.7
190	S	37.3	Very low	45.6	Very low	107 Å²	107	138 Å²	138	75%	0.748	77%	0.765	S	S	*	*			trans	56.1	118	155	-153.4	0	0	0	0	117.1
191	T	35.6	Very low	44.2	Very low	122 Å²	122	139.2 Å²	139.2	75%	0.748	77%	0.773	S	S	*	*				-178.8	118.5	65.5	-59.2	0	0	0	0	110.5
192	A	39.9	Very low	43.4	Very low	82 Å²	82	140.4 Å²	140.4	68%	0.678	78%	0.781	S	S	*	*			trans	179.8	101.5	157.4	0	0	0	0	0	107.2
193	Q	36.5	Very low	42.6	Very low	184 Å²	184	138.7 Å²	138.7	86%	0.86	79%	0.786	S	S	*	*				45.4	88	95	-66.2	-163	0.2	0	0	113.9
194	T	43.8	Very low	41.9	Very low	120 Å²	120	143 Å²	143	74%	0.736	79%	0.791	S	S	*	*			trans	-124.8	116.6	161.8	-45.5	0	0	0	0	107.7	V196	T194-V196 VanDerWaalsContact C-N 3.29Å; T194-V196 HydrophobicContact CG2-CG2 4.35Å; T194-V196 PolarHBondContact O-N 3.09Å
195	N	44	Very low	42.1	Very low	149 Å²	149	140.3 Å²	140.3	80%	0.797	78%	0.777	S	S	*	*			trans	-78.6	72.3	-172.9	-72	-29.9	0	0	0	112.1
196	V	47.3	Very low	41.9	Very low	113 Å²	113	138.6 Å²	138.6	69%	0.685	77%	0.768	S	S	*	*			trans	-81.7	117.5	170.3	-176.3	0	0	0	0	108.9	T194 M198	T194-V196 VanDerWaalsContact C-N 3.29Å; T194-V196 HydrophobicContact CG2-CG2 4.35Å; T194-V196 PolarHBondContact O-N 3.09Å; V196-M198 PolarHBondContact O-N 2.91Å
197	W	37.9	Very low	41.6	Very low	243 Å²	243	131.7 Å²	131.7	92%	0.92	75%	0.753	S	S	*	*			trans	-66.1	106.2	-180	-75.9	48.2	0	0	0	110.3
198	M	53.6	Low	41.2	Very low	168 Å²	168	128.8 Å²	128.8	83%	0.828	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-81.5	123.2	176.1	-75.3	-88.5	-79.7	0	0	110	V196 S200	V196-M198 PolarHBondContact O-N 2.91Å; M198-S200 PolarHBondContact O-N 3.22Å
199	P	46.8	Very low	41	Very low	120 Å²	120	129.4 Å²	129.4	78%	0.779	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-57.7	137.7	175.6	-26.3	35.7	0	0	0	112.5
200	S	48.5	Very low	40.8	Very low	118 Å²	118	128.1 Å²	128.1	83%	0.825	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-61.6	145.7	-176.5	-168.1	0	0	0	0	112.5	M198	M198-S200 PolarHBondContact O-N 3.22Å
201	Q	36.8	Very low	40.5	Very low	172 Å²	172	128.7 Å²	128.7	80%	0.804	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-100.4	117.5	175	-67.8	-168.6	18.1	0	0	111.1
202	E	44.7	Very low	40.4	Very low	172 Å²	172	128.7 Å²	128.7	80%	0.804	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-100.6	163.4	173.7	-76.3	-144.7	120.6	0	0	113.9
203	P	42.7	Very low	40.2	Very low	125 Å²	125	132.6 Å²	132.6	81%	0.812	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-77.6	154.7	-158.6	-19.1	34.7	0	0	0	116.7
204	R	37.7	Very low	40	Very low	194 Å²	194	132.6 Å²	132.6	73%	0.732	73%	0.725	S	S	*	*			trans	-85.8	115.8	-168.5	-56.2	171.9	-175.1	150.3	1.8	114	K18	K18-R204 HydrophobicContact CD-CB 4.23Å; K18-R204 VanDerWaalsContact CE-CB 3.5Å; K18-R204 WeakPolarHBondContact CE-O 3.43Å; K18-R204 HydrophobicContact CG-CB 3.88Å; K18-R204 PolarHBondContact NZ-O 3.21Å
205	S	46.3	Very low	39.4	Very low	83 Å²	83	133.4 Å²	133.4	58%	0.58	73%	0.729	S	S	*	*			trans	-94.9	164.6	166.4	68.5	0	0	0	0	112.6	K18	K18-S205 WeakPolarHBondContact CG-O 3.42Å
206	S	39.3	Very low	39.2	Very low	75 Å²	75	129.1 Å²	129.1	52%	0.524	72%	0.715	S	S	.	*			trans	-164.5	137.9	-177.7	51.6	0	0	0	0	111.6	K18	K18-S206 PolarHBondContact NZ-OG 3.42Å
207	G	36.2	Very low	38.8	Very low	50 Å²	50	130.8 Å²	130.8	52%	0.515	72%	0.72	S	S	.	*			cis	149.6	178.5	-0	0	0	0	0	0	111.2
208	L	33.8	Very low	39	Very low	66 Å²	66	127 Å²	127	35%	0.346	71%	0.712	S	S	.	*			trans	75.1	147.8	178.1	-40.2	147.2	0	0	0	113	K13 K14 A17	K13-L208 WeakPolarHBondContact O-CD2 3.47Å; K14-L208 HydrophobicContact CB-CD1 3.94Å; K14-L208 HydrophobicContact CD-CD1 4Å; K14-L208 HydrophobicContact CG-CD1 3.64Å; A17-L208 HydrophobicContact CB-CB 4.44Å; A17-L208 HydrophobicContact CB-CD2 3.5Å; A17-L208 VanDerWaalsContact CB-CD2 3.5Å; A17-L208 HydrophobicContact CB-CG 3.75Å
209	N	32.9	Very low	38.3	Very low	137 Å²	137	127.7 Å²	127.7	73%	0.733	71%	0.714	S	S	*	*			cis	-153.4	171.4	35	-71.7	-84.7	0	0	0	113.2
210	S	36.2	Very low	38.3	Very low	91 Å²	91	127.4 Å²	127.4	64%	0.636	71%	0.71	S	S	*	*			trans	48.5	116.8	149	-57	0	0	0	0	120.1
211	D	30.4	Very low	37.9	Very low	118 Å²	118	131.8 Å²	131.8	63%	0.631	71%	0.71	S	S	*	*				77.9	119.1	61.3	-67.2	-49.3	0	0	0	113.5	K13	K13-D211 IonicContact NZ-OD2 2.64Å; K13-D211 PolarHBondContact NZ-OD2 2.78Å
212	S	32.9	Very low	38.1	Very low	123 Å²	123	131.3 Å²	131.3	86%	0.86	71%	0.712	S	S	*	*			trans	62.2	108.7	164.6	59	0	0	0	0	121.3
213	N	36.7	Very low	37.5	Very low	163 Å²	163	126.8 Å²	126.8	87%	0.872	71%	0.711	S	S	*	*				-155.4	163.9	105	-154.3	0.1	0	0	0	111.8
214	K	31.4	Very low	37.2	Very low	185 Å²	185	131.6 Å²	131.6	80%	0.804	71%	0.713	S	S	*	*			trans	-96.4	150.7	165.7	-68.1	-176.8	175.7	-175.2	0	110.4
215	V	32.2	Very low	37.1	Very low	137 Å²	137	129.1 Å²	129.1	83%	0.83	72%	0.723	S	S	*	*			trans	173.1	144	136.5	147.9	0	0	0	0	107.4
216	A	39.2	Very low	36.8	Very low	59 Å²	59	130.6 Å²	130.6	49%	0.488	73%	0.734	S	S	.	*			trans	35.2	114.6	170.9	0	0	0	0	0	117.6	E218	A216-E218 HydrophobicContact CB-CB 3.99Å; A216-E218 HydrophobicContact CB-CG 4.11Å; A216-E218 PolarHBondContact O-N 3.44Å
217	D	39.3	Very low	36.9	Very low	148 Å²	148	132.1 Å²	132.1	79%	0.791	75%	0.745	S	S	*	*			cis	52	14.9	42.6	-145.6	10.7	0	0	0	115.2	Q219	D217-Q219 PolarHBondContact O-N 3.31Å
218	E	40.6	Very low	36.8	Very low	162 Å²	162	138.9 Å²	138.9	76%	0.757	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-84.6	13.5	179.2	-119.1	171	-152.2	0	0	114	A216	A216-E218 HydrophobicContact CB-CB 3.99Å; A216-E218 HydrophobicContact CB-CG 4.11Å; A216-E218 PolarHBondContact O-N 3.44Å
219	Q	39.4	Very low	37.1	Very low	184 Å²	184	140.3 Å²	140.3	86%	0.86	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-85.3	-12.4	175.9	-76.9	-87.2	-33.1	0	0	113.7	D217 Y221	D217-Q219 PolarHBondContact O-N 3.31Å; Q219-Y221 PolarHBondContact O-N 3.25Å
220	T	46.9	Very low	37.8	Very low	114 Å²	114	139.8 Å²	139.8	70%	0.699	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-66.1	-18.9	172.2	-58.2	0	0	0	0	111.9	L222	T220-L222 PolarHBondContact O-N 3.42Å
221	Y	40.8	Very low	38	Very low	210 Å²	210	144 Å²	144	82%	0.824	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-96.7	36.5	-170.3	-113.2	-80.9	0	0	0	116.1	Q219	Q219-Y221 PolarHBondContact O-N 3.25Å
222	L	41.3	Very low	38.6	Very low	162 Å²	162	144.5 Å²	144.5	85%	0.848	80%	0.797	S	S	*	*	G	3₁₀ helix	trans	-131	20	164.4	-106.2	179.4	0	0	0	116	T220 R224	T220-L222 PolarHBondContact O-N 3.42Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 3.19Å
223	G	31.5	Very low	39.3	Very low	76 Å²	76	147.8 Å²	147.8	78%	0.784	80%	0.798	S	S	*	*			trans	-71.1	74.2	170.5	0	0	0	0	0	113.8
224	R	35.6	Very low	39.5	Very low	227 Å²	227	148.6 Å²	148.6	86%	0.857	80%	0.797	S	S	*	*			trans	-156.3	51.1	173.9	-128.9	178.3	-149.8	-111.6	5.6	118.7	L222	L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 3.19Å
225	C	37	Very low	40	Very low	141 Å²	141	146 Å²	146	95%	0.953	80%	0.797	S	S	*	*			trans	-109.8	52.8	156.5	-74.7	0	0	0	0	112
226	S	40.1	Very low	40.8	Very low	115 Å²	115	149.2 Å²	149.2	80%	0.804	80%	0.8	S	S	*	*			trans	-102	108.4	164.7	178.8	0	0	0	0	109.1
227	S	40	Very low	41.3	Very low	107 Å²	107	151.9 Å²	151.9	75%	0.748	81%	0.81	S	S	*	*			trans	-158.5	58.1	174.9	63.2	0	0	0	0	114
228	Q	34.1	Very low	42.3	Very low	191 Å²	191	152.6 Å²	152.6	89%	0.893	81%	0.809	S	S	*	*			trans	67.6	166.7	153.7	-82.5	-173.3	-42.4	0	0	118.5
229	P	39.8	Very low	43.6	Very low	96 Å²	96	152.4 Å²	152.4	62%	0.623	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-103.4	164.4	-146	39.1	-36.9	0	0	0	115.1	K231	P229-K231 PolarHBondContact O-N 2.84Å
230	P	48.1	Very low	45.4	Very low	127 Å²	127	153.5 Å²	153.5	83%	0.825	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-60.4	118	158.6	28	-33.7	0	0	0	109.7
231	K	40	Very low	47.1	Very low	179 Å²	179	156.5 Å²	156.5	78%	0.778	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.3	153	160.1	-69.8	179.6	-179.9	177.3	0	108.5	P229 E233	P229-K231 PolarHBondContact O-N 2.84Å; K231-E233 PolarHBondContact O-N 3.07Å; K231-E233 VanDerWaalsContact O-N 3.15Å
232	P	43.4	Very low	49.1	Very low	129 Å²	129	149.8 Å²	149.8	84%	0.838	79%	0.789	S	S	*	*			trans	-66.7	113.6	171.9	28.1	-33.1	0	0	0	109.3
233	E	47.4	Very low	50.9	Low	191 Å²	191	143.8 Å²	143.8	89%	0.893	76%	0.76	S	S	*	*			trans	-87.1	137.8	165.2	-71.9	-157.6	145.2	0	0	110.3	K231	K231-E233 PolarHBondContact O-N 3.07Å; K231-E233 VanDerWaalsContact O-N 3.15Å
234	E	41.6	Very low	53.3	Low	180 Å²	180	144.3 Å²	144.3	84%	0.841	75%	0.75	S	S	*	*			trans	-83.1	136.5	-172.4	-62.1	175.2	127	0	0	111.4	K236	E234-K236 PolarHBondContact O-N 3.22Å
235	T	41	Very low	55.6	Low	131 Å²	131	140.8 Å²	140.8	80%	0.804	74%	0.743	S	S	*	*			trans	27.2	85.5	155.7	56.2	0	0	0	0	117.5
236	K	49.8	Very low	57.5	Low	205 Å²	205	139.6 Å²	139.6	89%	0.891	73%	0.726	S	S	*	*			trans	-103.6	103.7	141.1	-149.4	168.1	-168.2	173.3	0	107.9	E234 Q238	E234-K236 PolarHBondContact O-N 3.22Å; K236-Q238 PolarHBondContact O-N 3.17Å
237	T	50.5	Low	59.6	Low	115 Å²	115	141.6 Å²	141.6	71%	0.706	72%	0.716	S	S	*	*			trans	-64.4	95.3	178	47.1	0	0	0	0	109.3	N239	T237-N239 PolarHBondContact O-N 3.06Å
238	Q	58.7	Low	61.1	Low	163 Å²	163	149.9 Å²	149.9	76%	0.762	74%	0.739	S	S	*	*			trans	-61	118.2	169.9	-168.4	-178.6	31.6	0	0	107.4	K236 R240	K236-Q238 PolarHBondContact O-N 3.17Å; Q238-R240 VanDerWaalsContact C-N 3.28Å; Q238-R240 PolarHBondContact O-N 3.05Å
239	N	69.1	Low	62.5	Low	158 Å²	158	147.8 Å²	147.8	85%	0.845	73%	0.731	S	S	*	*			trans	-66.1	84.3	-175.6	-72.6	-18.7	0	0	0	110.7	T237	T237-N239 PolarHBondContact O-N 3.06Å
240	R	77.6	Confident	63.7	Low	207 Å²	207	150.5 Å²	150.5	78%	0.781	74%	0.737	S	S	*	*			trans	-70.8	128.8	168.7	-71.2	-173.7	175.5	-174	-2.5	108.5	Q238 V242	Q238-R240 VanDerWaalsContact C-N 3.28Å; Q238-R240 PolarHBondContact O-N 3.05Å; R240-V242 PolarHBondContact O-N 3.03Å
241	Y	82.6	Confident	64.5	Low	177 Å²	177	151.8 Å²	151.8	69%	0.694	73%	0.732	S	S	*	*			trans	-59	123.5	169.7	176.7	-92.8	0	0	0	109.3	P243	Y241-P243 HydrophobicContact CD1-CG 4.09Å; Y241-P243 HydrophobicContact CE1-CB 4.11Å; Y241-P243 HydrophobicContact CE1-CG 3.82Å
242	V	82.8	Confident	66	Low	68 Å²	68	150.2 Å²	150.2	41%	0.412	73%	0.729	S	S	.	*			trans	-103.6	110.3	172	-178.6	0	0	0	0	107.4	R240 L246 R247	R240-V242 PolarHBondContact O-N 3.03Å; V242-L246 HydrophobicContact CG1-CB 3.82Å; V242-R247 HydrophobicContact CG1-CG 3.97Å; V242-R247 PolarHBondContact O-NE 3.27Å; V242-R247 PolarHBondContact O-NH2 2.8Å
243	P	77.4	Confident	67.4	Low	36 Å²	36	151.6 Å²	151.6	23%	0.234	72%	0.722	C	S	.	*			trans	-53	151.7	175.2	-25.7	32.5	0	0	0	112.3	Y241 H245 L246	Y241-P243 HydrophobicContact CD1-CG 4.09Å; Y241-P243 HydrophobicContact CE1-CB 4.11Å; Y241-P243 HydrophobicContact CE1-CG 3.82Å; P243-H245 VanDerWaalsContact C-N 3.29Å; P243-H245 VanDerWaalsContact CB-CE1 3.47Å; P243-H245 WeakPolarHBondContact CB-CE1 3.41Å; P243-H245 PolarHBondContact O-N 2.88Å; P243-L246 PolarHBondContact O-N 2.86Å
244	P	82.8	Confident	68.7	Low	87 Å²	87	148.9 Å²	148.9	57%	0.565	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-53	-43	-177.1	-27.6	35.4	0	0	0	113.7	L246 R247	P244-L246 PolarHBondContact O-N 3.04Å; P244-R247 WeakPolarHBondContact O-CB 3.48Å; P244-R247 PolarHBondContact O-N 3.27Å
245	H	82.9	Confident	70.6	Confident	154 Å²	154	146.7 Å²	146.7	71%	0.713	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-69.1	-9.3	-178.4	62.2	-106.2	0	0	0	115	P243	P243-H245 VanDerWaalsContact C-N 3.29Å; P243-H245 VanDerWaalsContact CB-CE1 3.47Å; P243-H245 WeakPolarHBondContact CB-CE1 3.41Å; P243-H245 PolarHBondContact O-N 2.88Å
246	L	78.5	Confident	72.9	Confident	115 Å²	115	147.9 Å²	147.9	60%	0.602	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-99	1.4	172.7	-64	-173.9	0	0	0	113.2	V242 P243 P244	V242-L246 HydrophobicContact CG1-CB 3.82Å; P243-L246 PolarHBondContact O-N 2.86Å; P244-L246 PolarHBondContact O-N 3.04Å
247	R	83.6	Confident	74.8	Confident	157 Å²	157	143.2 Å²	143.2	59%	0.592	68%	0.677	S	S	*	*			trans	-90.5	108.5	173.8	-54.2	177.1	-166	175.8	4	108	V242 P244	V242-R247 HydrophobicContact CG1-CG 3.97Å; V242-R247 PolarHBondContact O-NE 3.27Å; V242-R247 PolarHBondContact O-NH2 2.8Å; P244-R247 WeakPolarHBondContact O-CB 3.48Å; P244-R247 PolarHBondContact O-N 3.27Å
248	K	71.6	Confident	77.1	Confident	281 Å²	281	145.7 Å²	145.7	100%	1.222	68%	0.675	S	S	*	*			trans	-86.3	0	170.9	-66.6	-172.5	177.4	-174.3	0	110.9

Retrieved 248 of 248 residues in 212.8 ms (Link to these results)

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