A0A087X1I0_HUMAN Loading...

Cyclin dependent kinase 11B

AlphaFold DB , UniProt , Accession A0A087X1I0, Species HUMAN (Homo sapiens, Human), Gene CDK11B, Length 244 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	53.7	Low	62.2	Low	250 Å²	250	154.6 Å²	154.6	100%	1.232	79%	0.79	S	S	*	*				0	121.4	0	-81	-77.9	-155.1	0	0	107.4
2	G	52.7	Low	63.5	Low	71 Å²	71	149 Å²	149	73%	0.732	77%	0.768	S	S	*	*			trans	98.5	73.2	162.5	0	0	0	0	0	116.7
3	D	51.7	Low	64.4	Low	142 Å²	142	148 Å²	148	76%	0.759	76%	0.764	S	S	*	*			trans	-90.7	93.9	162.4	-156.9	11.2	0	0	0	106.6
4	E	63.8	Low	65.8	Low	182 Å²	182	144.4 Å²	144.4	85%	0.85	75%	0.746	S	S	*	*			trans	-113.2	70.7	175.5	-72.2	179	-179	0	0	108.6	D6	E4-D6 PolarHBondContact O-N 3.35Å
5	K	60	Low	67.1	Low	173 Å²	173	141.1 Å²	141.1	75%	0.752	73%	0.727	S	S	*	*			trans	-64.2	123.9	162	-76.6	175.1	179	170.8	0	107.7	S7	K5-S7 VanDerWaalsContact C-N 3.28Å; K5-S7 PolarHBondContact O-N 2.73Å
6	D	58.4	Low	68.1	Low	144 Å²	144	137.1 Å²	137.1	77%	0.77	71%	0.706	S	S	*	*			trans	-49	92.1	168.2	-77.1	-47.4	0	0	0	110.5	E4 W8	E4-D6 PolarHBondContact O-N 3.35Å; D6-W8 PolarHBondContact O-N 2.87Å
7	S	49.6	Very low	69	Low	102 Å²	102	134.7 Å²	134.7	71%	0.713	69%	0.694	S	S	*	*			trans	-76.2	78.1	175.3	179.8	0	0	0	0	107.5	K5 K9	K5-S7 VanDerWaalsContact C-N 3.28Å; K5-S7 PolarHBondContact O-N 2.73Å; S7-K9 VanDerWaalsContact C-N 3.32Å; S7-K9 PolarHBondContact O-N 2.84Å
8	W	69.1	Low	69.7	Low	220 Å²	220	133.9 Å²	133.9	83%	0.833	69%	0.687	S	S	*	*			trans	-60.1	101.1	167.7	-69.9	17.1	0	0	0	106.9	D6 V10	D6-W8 PolarHBondContact O-N 2.87Å; W8-V10 PolarHBondContact O-N 2.91Å
9	K	70.7	Confident	70.1	Confident	188 Å²	188	130.1 Å²	130.1	82%	0.817	67%	0.666	S	S	*	*			trans	-62.2	104.8	174.3	-74.5	-175.5	178.6	-178.9	0	107	S7 K11	S7-K9 VanDerWaalsContact C-N 3.32Å; S7-K9 PolarHBondContact O-N 2.84Å; K9-K11 PolarHBondContact O-N 2.98Å
10	V	75.5	Confident	70.6	Confident	135 Å²	135	130.8 Å²	130.8	82%	0.818	66%	0.664	S	S	*	*			trans	-62.7	106	171.7	177.9	0	0	0	0	106.2	W8 T12	W8-V10 PolarHBondContact O-N 2.91Å; V10-T12 PolarHBondContact O-N 3.42Å
11	K	78.9	Confident	70.9	Confident	94 Å²	94	132.4 Å²	132.4	41%	0.409	67%	0.666	S	S	.	*			trans	-59	133.9	174	-69.6	-177.7	173.3	179.1	0	108.3	K9 E15 I16 E19	K9-K11 PolarHBondContact O-N 2.98Å; K11-E15 WeakPolarHBondContact CA-OE2 3.39Å; K11-E15 HydrophobicContact CB-CB 4.35Å; K11-E15 HydrophobicContact CB-CG 4.44Å; K11-E15 HydrophobicContact CG-CG 4.5Å; K11-I16 HydrophobicContact CB-CD1 4.25Å; K11-I16 HydrophobicContact CB-CG1 3.81Å; K11-E19 IonicContact NZ-OE2 2.7Å; K11-E19 PolarHBondContact NZ-OE2 3.41Å
12	T	78.4	Confident	71.8	Confident	87 Å²	87	127.5 Å²	127.5	53%	0.534	63%	0.634	S	S	.	*			trans	-66.8	155.6	176.6	63.7	0	0	0	0	109.2	V10 D14 E15 I16	V10-T12 PolarHBondContact O-N 3.42Å; T12-D14 PolarHBondContact O-N 3Å; T12-D14 VanDerWaalsContact O-N 3.17Å; T12-E15 WeakPolarHBondContact O-CB 3.42Å; T12-E15 PolarHBondContact O-N 3.02Å; T12-E15 PolarHBondContact OG1-N 2.7Å; T12-I16 WeakPolarHBondContact O-CG1 3.48Å; T12-I16 PolarHBondContact O-N 3.17Å
13	L	74.8	Confident	72.6	Confident	136 Å²	136	132 Å²	132	71%	0.712	63%	0.629	S	S	*	*	H	α-helix	trans	-56.2	-34.8	179.9	-174.2	125.8	0	0	0	111.6	I16 L17	L13-I16 PolarHBondContact O-N 3.18Å; L13-L17 HydrophobicContact CD2-CD1 3.75Å; L13-L17 HydrophobicContact CD2-CG 4.43Å; L13-L17 HydrophobicContact CG-CD1 4.48Å; L13-L17 WeakPolarHBondContact O-CB 3.27Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.5Å; L13-L17 PolarHBondContact O-N 2.94Å
14	D	83.5	Confident	73.6	Confident	97 Å²	97	132.2 Å²	132.2	52%	0.519	62%	0.623	S	S	.	*	H	α-helix	trans	-65.7	-42.7	175.6	-165.7	56.7	0	0	0	112.4	T12 I16 L17 Q18	T12-D14 PolarHBondContact O-N 3Å; T12-D14 VanDerWaalsContact O-N 3.17Å; D14-I16 VanDerWaalsContact C-N 3.32Å; D14-I16 PolarHBondContact O-N 2.99Å; D14-L17 PolarHBondContact O-N 3.41Å; D14-Q18 WeakPolarHBondContact O-CG 3.25Å; D14-Q18 PolarHBondContact O-N 3.38Å; D14-Q18 PolarHBondContact OD2-NE2 2.87Å
15	E	85.3	Confident	73.6	Confident	96 Å²	96	130 Å²	130	45%	0.449	61%	0.612	S	S	.	*	H	α-helix	trans	-64.1	-36.5	175.7	-164.6	178.6	-173.4	0	0	111.9	K11 T12 E19	K11-E15 WeakPolarHBondContact CA-OE2 3.39Å; K11-E15 HydrophobicContact CB-CB 4.35Å; K11-E15 HydrophobicContact CB-CG 4.44Å; K11-E15 HydrophobicContact CG-CG 4.5Å; T12-E15 WeakPolarHBondContact O-CB 3.42Å; T12-E15 PolarHBondContact O-N 3.02Å; T12-E15 PolarHBondContact OG1-N 2.7Å; E15-E19 VanDerWaalsContact O-CB 3.25Å; E15-E19 WeakPolarHBondContact O-CB 3.36Å; E15-E19 PolarHBondContact O-N 2.86Å
16	I	83.2	Confident	73.6	Confident	77 Å²	77	127.6 Å²	127.6	40%	0.395	60%	0.604	S	S	.	*	H	α-helix	trans	-69.2	-38.3	174.2	-63.5	169	0	0	0	111.3	K11 T12 L13 D14 K20	K11-I16 HydrophobicContact CB-CD1 4.25Å; K11-I16 HydrophobicContact CB-CG1 3.81Å; T12-I16 WeakPolarHBondContact O-CG1 3.48Å; T12-I16 PolarHBondContact O-N 3.17Å; L13-I16 PolarHBondContact O-N 3.18Å; D14-I16 VanDerWaalsContact C-N 3.32Å; D14-I16 PolarHBondContact O-N 2.99Å; I16-K20 VanDerWaalsContact O-CB 3.31Å; I16-K20 WeakPolarHBondContact O-CB 3.41Å; I16-K20 WeakPolarHBondContact O-CG 3.31Å; I16-K20 PolarHBondContact O-N 2.83Å
17	L	83.9	Confident	73.7	Confident	96 Å²	96	126.4 Å²	126.4	50%	0.503	59%	0.594	S	S	.	*	H	α-helix	trans	-69	-40.4	176.8	-73.5	175.8	0	0	0	111.5	L13 D14 K20 K21	L13-L17 HydrophobicContact CD2-CD1 3.75Å; L13-L17 HydrophobicContact CD2-CG 4.43Å; L13-L17 HydrophobicContact CG-CD1 4.48Å; L13-L17 WeakPolarHBondContact O-CB 3.27Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.5Å; L13-L17 PolarHBondContact O-N 2.94Å; D14-L17 PolarHBondContact O-N 3.41Å; L17-K20 PolarHBondContact O-N 3.35Å; L17-K21 WeakPolarHBondContact O-CB 3.28Å; L17-K21 PolarHBondContact O-N 2.73Å
18	Q	80.8	Confident	74.1	Confident	120 Å²	120	126.8 Å²	126.8	56%	0.561	58%	0.584	S	S	*	*	H	α-helix	trans	-66	-43	173.4	-70.1	-174	24.3	0	0	111.7	D14 K20 K21 R22	D14-Q18 WeakPolarHBondContact O-CG 3.25Å; D14-Q18 PolarHBondContact O-N 3.38Å; D14-Q18 PolarHBondContact OD2-NE2 2.87Å; Q18-K20 VanDerWaalsContact C-N 3.34Å; Q18-K20 PolarHBondContact O-N 3.43Å; Q18-K21 PolarHBondContact O-N 2.87Å; Q18-R22 WeakPolarHBondContact O-CB 3.29Å; Q18-R22 PolarHBondContact O-N 2.79Å
19	E	78.6	Confident	73.8	Confident	62 Å²	62	124 Å²	124	29%	0.29	58%	0.578	S	S	.	*	H	α-helix	trans	-61.6	-42.4	173.5	-176.2	109.6	-118.6	0	0	111.1	K11 E15 K21 R22 R23	K11-E19 IonicContact NZ-OE2 2.7Å; K11-E19 PolarHBondContact NZ-OE2 3.41Å; E15-E19 VanDerWaalsContact O-CB 3.25Å; E15-E19 WeakPolarHBondContact O-CB 3.36Å; E15-E19 PolarHBondContact O-N 2.86Å; E19-K21 PolarHBondContact O-N 3.44Å; E19-R22 PolarHBondContact O-N 3.46Å; E19-R22 IonicContact OE1-CZ 3.84Å; E19-R22 IonicContact OE1-NH2 2.9Å; E19-R22 PolarHBondContact OE1-NH2 2.96Å; E19-R23 WeakPolarHBondContact O-CB 3.35Å; E19-R23 PolarHBondContact O-N 3.41Å
20	K	78.4	Confident	73.2	Confident	144 Å²	144	117.6 Å²	117.6	63%	0.626	56%	0.56	S	S	*	*	H	α-helix	trans	-62.3	-40.6	173.2	-86.3	-171.5	172.3	-177.4	0	112.1	I16 L17 Q18 R23 K24	I16-K20 VanDerWaalsContact O-CB 3.31Å; I16-K20 WeakPolarHBondContact O-CB 3.41Å; I16-K20 WeakPolarHBondContact O-CG 3.31Å; I16-K20 PolarHBondContact O-N 2.83Å; L17-K20 PolarHBondContact O-N 3.35Å; Q18-K20 VanDerWaalsContact C-N 3.34Å; Q18-K20 PolarHBondContact O-N 3.43Å; K20-R23 PolarHBondContact O-N 2.89Å; K20-K24 WeakPolarHBondContact O-CB 3.48Å; K20-K24 PolarHBondContact O-N 3.32Å
21	K	77.2	Confident	72.3	Confident	164 Å²	164	117.1 Å²	117.1	71%	0.713	55%	0.549	S	S	*	.	H	α-helix	trans	-65.3	-44.7	178	-165.6	178.3	-179.7	-176.2	0	110.9	L17 Q18 E19 R23 K24 E25	L17-K21 WeakPolarHBondContact O-CB 3.28Å; L17-K21 PolarHBondContact O-N 2.73Å; Q18-K21 PolarHBondContact O-N 2.87Å; E19-K21 PolarHBondContact O-N 3.44Å; K21-R23 VanDerWaalsContact C-N 3.34Å; K21-R23 PolarHBondContact O-N 2.79Å; K21-K24 PolarHBondContact O-N 2.84Å; K21-E25 PolarHBondContact O-N 3.43Å; K21-E25 VanDerWaalsContact O-N 3.1Å
22	R	72.6	Confident	71.3	Confident	148 Å²	148	116.4 Å²	116.4	56%	0.558	55%	0.549	S	S	*	.	H	α-helix	trans	-63.4	-38.2	175.3	-168.2	-176.4	72.6	136.2	-3	112.4	Q18 E19 Q26	Q18-R22 WeakPolarHBondContact O-CB 3.29Å; Q18-R22 PolarHBondContact O-N 2.79Å; E19-R22 PolarHBondContact O-N 3.46Å; E19-R22 IonicContact OE1-CZ 3.84Å; E19-R22 IonicContact OE1-NH2 2.9Å; E19-R22 PolarHBondContact OE1-NH2 2.96Å; R22-Q26 PolarHBondContact O-N 3.21Å
23	R	70.1	Confident	70.5	Confident	165 Å²	165	119.7 Å²	119.7	62%	0.623	56%	0.556	S	S	*	*	H	α-helix	trans	-73.8	-38.3	178.8	-161.9	171.1	-174.2	166.5	2.3	112.1	E19 K20 K21 E25 Q26 E27	E19-R23 WeakPolarHBondContact O-CB 3.35Å; E19-R23 PolarHBondContact O-N 3.41Å; K20-R23 PolarHBondContact O-N 2.89Å; K21-R23 VanDerWaalsContact C-N 3.34Å; K21-R23 PolarHBondContact O-N 2.79Å; R23-E25 VanDerWaalsContact C-N 3.34Å; R23-E25 PolarHBondContact O-N 3.16Å; R23-Q26 PolarHBondContact O-N 2.8Å; R23-E27 PolarHBondContact O-N 3.25Å
24	K	72.4	Confident	69.6	Low	146 Å²	146	123 Å²	123	64%	0.635	56%	0.559	S	S	*	*	H	α-helix	trans	-63.3	-38.7	175.1	-171.7	175.6	-179	-176	0	112.1	K20 K21 Q26 E27 E28	K20-K24 WeakPolarHBondContact O-CB 3.48Å; K20-K24 PolarHBondContact O-N 3.32Å; K21-K24 PolarHBondContact O-N 2.84Å; K24-Q26 VanDerWaalsContact C-N 3.33Å; K24-Q26 PolarHBondContact O-N 3.2Å; K24-E27 PolarHBondContact O-N 3.15Å; K24-E28 WeakPolarHBondContact O-CB 3.46Å; K24-E28 PolarHBondContact O-N 3.49Å
25	E	63.8	Low	68.3	Low	135 Å²	135	123.4 Å²	123.4	63%	0.631	56%	0.561	S	S	*	*	H	α-helix	trans	-68.4	-31.4	176.3	-167	-179	169	0	0	112.6	K21 R23 K29	K21-E25 PolarHBondContact O-N 3.43Å; K21-E25 VanDerWaalsContact O-N 3.1Å; R23-E25 VanDerWaalsContact C-N 3.34Å; R23-E25 PolarHBondContact O-N 3.16Å; E25-K29 VanDerWaalsContact O-CB 3.27Å; E25-K29 WeakPolarHBondContact O-CB 3.38Å; E25-K29 PolarHBondContact O-N 2.86Å
26	Q	60.1	Low	67	Low	123 Å²	123	125.9 Å²	125.9	58%	0.575	57%	0.57	S	S	*	*	H	α-helix	trans	-72.5	-37.3	173.2	-71.1	-176.9	-5.3	0	0	112.5	R22 R23 K24 K29 A30	R22-Q26 PolarHBondContact O-N 3.21Å; R23-Q26 PolarHBondContact O-N 2.8Å; K24-Q26 VanDerWaalsContact C-N 3.33Å; K24-Q26 PolarHBondContact O-N 3.2Å; Q26-K29 PolarHBondContact O-N 3.23Å; Q26-A30 VanDerWaalsContact O-CB 3.32Å; Q26-A30 WeakPolarHBondContact O-CB 3.46Å; Q26-A30 PolarHBondContact O-N 3.31Å
27	E	61.5	Low	65.5	Low	120 Å²	120	128 Å²	128	56%	0.561	58%	0.582	S	S	*	*	H	α-helix	trans	-63.9	-44	171.9	-74.3	173.5	-172.1	0	0	110.6	R23 K24 K29 A30 E31	R23-E27 PolarHBondContact O-N 3.25Å; K24-E27 PolarHBondContact O-N 3.15Å; E27-K29 PolarHBondContact O-N 3.41Å; E27-A30 CarbonylContact O-C 3.6Å; E27-A30 PolarHBondContact O-N 2.87Å; E27-E31 VanDerWaalsContact O-CB 3.24Å; E27-E31 WeakPolarHBondContact O-CB 3.29Å; E27-E31 PolarHBondContact O-N 2.9Å
28	E	57.3	Low	64.1	Low	110 Å²	110	127.1 Å²	127.1	51%	0.514	58%	0.584	S	S	.	*	H	α-helix	trans	-64.8	-40.7	176	-167.4	178.4	167.5	0	0	111.6	K24 A30 E31 I32	K24-E28 WeakPolarHBondContact O-CB 3.46Å; K24-E28 PolarHBondContact O-N 3.49Å; E28-A30 VanDerWaalsContact C-N 3.33Å; E28-A30 PolarHBondContact O-N 3.19Å; E28-E31 PolarHBondContact O-N 3.48Å; E28-I32 HydrophobicContact CG-CD1 3.84Å; E28-I32 HydrophobicContact CG-CG1 4.39Å; E28-I32 VanDerWaalsContact O-CB 3.26Å; E28-I32 WeakPolarHBondContact O-CB 3.35Å; E28-I32 WeakPolarHBondContact O-CD1 3.43Å; E28-I32 WeakPolarHBondContact O-CG1 3.21Å; E28-I32 PolarHBondContact O-N 2.83Å
29	K	62	Low	62.6	Low	160 Å²	160	125.9 Å²	125.9	70%	0.696	58%	0.581	S	S	*	*	H	α-helix	trans	-65.9	-34.5	174.7	-168.5	172.4	-176.4	174.8	0	112.5	E25 Q26 E27 K33	E25-K29 VanDerWaalsContact O-CB 3.27Å; E25-K29 WeakPolarHBondContact O-CB 3.38Å; E25-K29 PolarHBondContact O-N 2.86Å; Q26-K29 PolarHBondContact O-N 3.23Å; E27-K29 PolarHBondContact O-N 3.41Å; K29-K33 WeakPolarHBondContact O-CB 3.19Å; K29-K33 PolarHBondContact O-N 3.49Å
30	A	59.3	Low	61.4	Low	54 Å²	54	129.1 Å²	129.1	45%	0.446	60%	0.6	S	S	.	*	H	α-helix	trans	-75.5	-35	175.1	0	0	0	0	0	112.1	Q26 E27 E28 K33 R34	Q26-A30 VanDerWaalsContact O-CB 3.32Å; Q26-A30 WeakPolarHBondContact O-CB 3.46Å; Q26-A30 PolarHBondContact O-N 3.31Å; E27-A30 CarbonylContact O-C 3.6Å; E27-A30 PolarHBondContact O-N 2.87Å; E28-A30 VanDerWaalsContact C-N 3.33Å; E28-A30 PolarHBondContact O-N 3.19Å; A30-K33 PolarHBondContact O-N 3.4Å; A30-R34 WeakPolarHBondContact O-CG 3.38Å; A30-R34 PolarHBondContact O-N 2.84Å
31	E	55.8	Low	60.1	Low	125 Å²	125	132.3 Å²	132.3	58%	0.584	61%	0.608	S	S	*	*	H	α-helix	trans	-72	-42.7	176.4	-169.2	163	-141.7	0	0	111.1	E27 E28 K33 R34 L35	E27-E31 VanDerWaalsContact O-CB 3.24Å; E27-E31 WeakPolarHBondContact O-CB 3.29Å; E27-E31 PolarHBondContact O-N 2.9Å; E28-E31 PolarHBondContact O-N 3.48Å; E31-K33 VanDerWaalsContact C-N 3.32Å; E31-K33 PolarHBondContact O-N 3.39Å; E31-R34 CarbonylContact O-C 3.58Å; E31-R34 PolarHBondContact O-N 2.8Å; E31-R34 VanDerWaalsContact O-N 3.15Å; E31-L35 HydrophobicContact CG-CD1 3.98Å; E31-L35 WeakPolarHBondContact O-CD1 3.3Å; E31-L35 PolarHBondContact O-N 3.29Å
32	I	58.4	Low	58.8	Low	79 Å²	79	128.1 Å²	128.1	41%	0.405	59%	0.594	S	S	.	*	H	α-helix	trans	-60.9	-40.5	169.4	-68.6	165.3	0	0	0	110.6	E28 R34 L35 K36	E28-I32 HydrophobicContact CG-CD1 3.84Å; E28-I32 HydrophobicContact CG-CG1 4.39Å; E28-I32 VanDerWaalsContact O-CB 3.26Å; E28-I32 WeakPolarHBondContact O-CB 3.35Å; E28-I32 WeakPolarHBondContact O-CD1 3.43Å; E28-I32 WeakPolarHBondContact O-CG1 3.21Å; E28-I32 PolarHBondContact O-N 2.83Å; I32-R34 VanDerWaalsContact C-N 3.34Å; I32-L35 PolarHBondContact O-N 2.75Å; I32-K36 HydrophobicContact CG2-CD 4.19Å; I32-K36 WeakPolarHBondContact O-CB 3.44Å; I32-K36 PolarHBondContact O-N 3.4Å
33	K	61.1	Low	58	Low	156 Å²	156	124.4 Å²	124.4	68%	0.678	59%	0.591	S	S	*	*	H	α-helix	trans	-68.4	-32.1	175.9	-170.1	175.5	-179.5	-179.4	0	112.2	K29 A30 E31 N37	K29-K33 WeakPolarHBondContact O-CB 3.19Å; K29-K33 PolarHBondContact O-N 3.49Å; A30-K33 PolarHBondContact O-N 3.4Å; E31-K33 VanDerWaalsContact C-N 3.32Å; E31-K33 PolarHBondContact O-N 3.39Å; K33-N37 WeakPolarHBondContact O-CB 3.27Å; K33-N37 PolarHBondContact O-N 3.08Å
34	R	55.7	Low	56.9	Low	206 Å²	206	125.5 Å²	125.5	78%	0.777	60%	0.6	S	S	*	*	H	α-helix	trans	-72	-43.5	171.6	-80.6	-169.3	122	149.3	3.3	112.2	A30 E31 I32 N37 S38	A30-R34 WeakPolarHBondContact O-CG 3.38Å; A30-R34 PolarHBondContact O-N 2.84Å; E31-R34 CarbonylContact O-C 3.58Å; E31-R34 PolarHBondContact O-N 2.8Å; E31-R34 VanDerWaalsContact O-N 3.15Å; I32-R34 VanDerWaalsContact C-N 3.34Å; R34-N37 PolarHBondContact O-N 2.77Å; R34-S38 PolarHBondContact O-N 2.72Å
35	L	57.5	Low	55.8	Low	106 Å²	106	127.2 Å²	127.2	56%	0.555	60%	0.602	S	S	*	*	H	α-helix	trans	-61.8	-47.8	175.1	-99.7	99.4	0	0	0	111	E31 I32 N37 S38 D39	E31-L35 HydrophobicContact CG-CD1 3.98Å; E31-L35 WeakPolarHBondContact O-CD1 3.3Å; E31-L35 PolarHBondContact O-N 3.29Å; I32-L35 PolarHBondContact O-N 2.75Å; L35-N37 VanDerWaalsContact C-N 3.28Å; L35-N37 PolarHBondContact O-N 3.37Å; L35-S38 CarbonylContact O-C 3.56Å; L35-S38 WeakPolarHBondContact O-CA 3.49Å; L35-S38 WeakPolarHBondContact O-CB 3.35Å; L35-S38 PolarHBondContact O-N 3.12Å; L35-D39 WeakPolarHBondContact O-CB 3.45Å; L35-D39 PolarHBondContact O-N 2.63Å
36	K	56.9	Low	55.2	Low	148 Å²	148	126.8 Å²	126.8	64%	0.643	61%	0.605	S	S	*	*	H	α-helix	trans	-62.4	-29.6	177.5	-88.2	174.6	165.9	172.9	0	114.1	I32	I32-K36 HydrophobicContact CG2-CD 4.19Å; I32-K36 WeakPolarHBondContact O-CB 3.44Å; I32-K36 PolarHBondContact O-N 3.4Å
37	N	52.2	Low	54.8	Low	122 Å²	122	125.5 Å²	125.5	65%	0.652	61%	0.609	S	S	*	*	H	α-helix	trans	-79.4	-26.9	174.9	-137.4	-104.6	0	0	0	112.6	K33 R34 L35	K33-N37 WeakPolarHBondContact O-CB 3.27Å; K33-N37 PolarHBondContact O-N 3.08Å; R34-N37 PolarHBondContact O-N 2.77Å; L35-N37 VanDerWaalsContact C-N 3.28Å; L35-N37 PolarHBondContact O-N 3.37Å
38	S	53.3	Low	54	Low	77 Å²	77	126.1 Å²	126.1	54%	0.538	62%	0.616	S	S	.	*	H	α-helix	trans	-75.9	-37.4	170.6	-101.2	0	0	0	0	112.2	R34 L35 R41 D42	R34-S38 PolarHBondContact O-N 2.72Å; L35-S38 CarbonylContact O-C 3.56Å; L35-S38 WeakPolarHBondContact O-CA 3.49Å; L35-S38 WeakPolarHBondContact O-CB 3.35Å; L35-S38 PolarHBondContact O-N 3.12Å; S38-R41 PolarHBondContact O-N 3.06Å; S38-D42 PolarHBondContact O-N 3.3Å
39	D	50.5	Low	53.5	Low	94 Å²	94	129.3 Å²	129.3	50%	0.503	63%	0.63	S	S	.	*	H	α-helix	trans	-67.1	-37.8	-177.2	-115.2	-11.4	0	0	0	113.1	L35 R41 D42 S43	L35-D39 WeakPolarHBondContact O-CB 3.45Å; L35-D39 PolarHBondContact O-N 2.63Å; D39-R41 PolarHBondContact O-N 2.99Å; D39-D42 PolarHBondContact O-N 3.03Å; D39-S43 WeakPolarHBondContact O-CB 3.2Å; D39-S43 PolarHBondContact O-N 3.03Å; D39-S43 PolarHBondContact O-OG 3.49Å
40	D	52.4	Low	53	Low	130 Å²	130	129.5 Å²	129.5	70%	0.695	63%	0.634	S	S	*	*	H	α-helix	trans	-70.1	-22.1	176.8	-99	-23.3	0	0	0	112.9
41	R	52.8	Low	53	Low	210 Å²	210	129.6 Å²	129.6	79%	0.792	64%	0.64	S	S	*	*	H	α-helix	trans	-87.9	-32.4	176.6	-79.1	-79.7	-178.1	139.3	-1.7	112.4	S38 D39	S38-R41 PolarHBondContact O-N 3.06Å; D39-R41 PolarHBondContact O-N 2.99Å
42	D	50	Low	52.9	Low	77 Å²	77	130.1 Å²	130.1	41%	0.412	64%	0.642	S	S	.	*	H	α-helix	trans	-84.7	-29.2	176.4	-101.7	-19.8	0	0	0	112.9	S38 D39 K44 R45 D46	S38-D42 PolarHBondContact O-N 3.3Å; D39-D42 PolarHBondContact O-N 3.03Å; D42-K44 PolarHBondContact O-N 3.3Å; D42-R45 WeakPolarHBondContact O-CA 3.26Å; D42-R45 WeakPolarHBondContact O-CB 3.31Å; D42-R45 PolarHBondContact O-N 2.82Å; D42-D46 PolarHBondContact O-N 3.44Å; D42-D46 VanDerWaalsContact O-N 3.08Å
43	S	55.8	Low	52.4	Low	70 Å²	70	134.5 Å²	134.5	49%	0.49	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.5	-22.6	178.4	-65.9	0	0	0	0	113.9	D39 S47	D39-S43 WeakPolarHBondContact O-CB 3.2Å; D39-S43 PolarHBondContact O-N 3.03Å; D39-S43 PolarHBondContact O-OG 3.49Å; S43-S47 PolarHBondContact O-OG 2.88Å
44	K	46.4	Very low	52	Low	187 Å²	187	133.9 Å²	133.9	81%	0.813	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-7.5	169.1	-71.3	-168.4	-178.5	-178.5	0	113.8	D42	D42-K44 PolarHBondContact O-N 3.3Å
45	R	49.9	Very low	52.1	Low	182 Å²	182	131.4 Å²	131.4	69%	0.687	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-29.8	174.8	-177.5	172.1	-73.5	-84.5	-3.1	111.1	D42	D42-R45 WeakPolarHBondContact O-CA 3.26Å; D42-R45 WeakPolarHBondContact O-CB 3.31Å; D42-R45 PolarHBondContact O-N 2.82Å
46	D	50	Low	52.2	Low	127 Å²	127	132.3 Å²	132.3	68%	0.679	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-4.1	-177.5	-68.4	-20.7	0	0	0	114.4	D42 L48	D42-D46 PolarHBondContact O-N 3.44Å; D42-D46 VanDerWaalsContact O-N 3.08Å; D46-L48 VanDerWaalsContact C-N 3.32Å
47	S	51.5	Low	52.4	Low	95 Å²	95	134.7 Å²	134.7	66%	0.664	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	3.9	167.1	-51.5	0	0	0	0	114	S43 E49	S43-S47 PolarHBondContact O-OG 2.88Å; S47-E49 PolarHBondContact O-N 3.35Å
48	L	44.4	Very low	52.6	Low	134 Å²	134	137.5 Å²	137.5	70%	0.702	68%	0.678	S	S	*	*			trans	-81.4	54.1	162.3	-160.1	80.1	0	0	0	109.2	D46 E50	D46-L48 VanDerWaalsContact C-N 3.32Å; L48-E50 HydrophobicContact CG-CB 4.35Å; L48-E50 PolarHBondContact O-N 2.74Å
49	E	48.4	Very low	53.1	Low	177 Å²	177	140.4 Å²	140.4	83%	0.827	68%	0.684	S	S	*	*			trans	-60.7	83.4	146.4	-176.9	170.6	-171.9	0	0	105.4	S47 G51	S47-E49 PolarHBondContact O-N 3.35Å; E49-G51 PolarHBondContact O-N 3.45Å
50	E	51	Low	53.3	Low	164 Å²	164	143.2 Å²	143.2	77%	0.766	70%	0.697	S	S	*	*			trans	-71.5	69.1	171	-153.1	179.9	-160.3	0	0	107.5	L48	L48-E50 HydrophobicContact CG-CB 4.35Å; L48-E50 PolarHBondContact O-N 2.74Å
51	G	59.3	Low	53.4	Low	55 Å²	55	140.1 Å²	140.1	57%	0.567	68%	0.683	S	S	*	*			trans	-61.1	138.3	151.7	0	0	0	0	0	108.2	E49	E49-G51 PolarHBondContact O-N 3.45Å
52	E	53.2	Low	53.9	Low	137 Å²	137	137.1 Å²	137.1	64%	0.64	68%	0.681	S	S	*	*			trans	93.4	54.9	171.1	-55.1	-166.1	153.9	0	0	118.1	R54	E52-R54 HydrophobicContact CB-CB 4.03Å; E52-R54 HydrophobicContact CB-CG 4.26Å; E52-R54 VanDerWaalsContact CD-CD 3.42Å; E52-R54 HydrophobicContact CG-CB 4.3Å; E52-R54 HydrophobicContact CG-CG 3.96Å; E52-R54 PolarHBondContact O-N 3.23Å; E52-R54 VanDerWaalsContact O-N 3.15Å; E52-R54 WeakPolarHBondContact OE1-CD 3.34Å; E52-R54 IonicContact OE1-CZ 3.63Å; E52-R54 IonicContact OE1-NE 2.72Å; E52-R54 PolarHBondContact OE1-NE 2.94Å; E52-R54 IonicContact OE1-NH2 3.77Å; E52-R54 IonicContact OE2-NE 3.92Å
53	L	48.4	Very low	54.6	Low	171 Å²	171	142.7 Å²	142.7	90%	0.895	70%	0.696	S	S	*	*				-76.3	66.4	118.8	-89.5	170.8	0	0	0	108	D55	L53-D55 PolarHBondContact O-N 2.8Å; L53-D55 VanDerWaalsContact O-N 3.11Å
54	R	51.7	Low	54.9	Low	143 Å²	143	146.4 Å²	146.4	54%	0.54	71%	0.711	S	S	.	*			trans	-50.8	116.1	155.6	-120	-179.6	-174.5	-122.7	5.6	102.6	E52 H56	E52-R54 HydrophobicContact CB-CB 4.03Å; E52-R54 HydrophobicContact CB-CG 4.26Å; E52-R54 VanDerWaalsContact CD-CD 3.42Å; E52-R54 HydrophobicContact CG-CB 4.3Å; E52-R54 HydrophobicContact CG-CG 3.96Å; E52-R54 PolarHBondContact O-N 3.23Å; E52-R54 VanDerWaalsContact O-N 3.15Å; E52-R54 WeakPolarHBondContact OE1-CD 3.34Å; E52-R54 IonicContact OE1-CZ 3.63Å; E52-R54 IonicContact OE1-NE 2.72Å; E52-R54 PolarHBondContact OE1-NE 2.94Å; E52-R54 IonicContact OE1-NH2 3.77Å; E52-R54 IonicContact OE2-NE 3.92Å; R54-H56 HydrophobicContact CB-CB 4.44Å; R54-H56 WeakPolarHBondContact CB-ND1 3.3Å; R54-H56 WeakPolarHBondContact CD-CE1 3.26Å; R54-H56 WeakPolarHBondContact CD-NE2 3.23Å; R54-H56 WeakPolarHBondContact CG-CE1 3.27Å; R54-H56 VanDerWaalsContact CG-ND1 3.29Å; R54-H56 WeakPolarHBondContact CG-ND1 3.34Å; R54-H56 PolarHBondContact NH1-CE1 3.42Å; R54-H56 PolarHBondContact NH1-NE2 3.4Å; R54-H56 PolarHBondContact O-N 3.3Å
55	D	58.9	Low	55.2	Low	153 Å²	153	142.5 Å²	142.5	82%	0.818	71%	0.707	S	S	*	*			trans	-63.4	62.6	169.3	-78.1	-41	0	0	0	108.8	L53 R57	L53-D55 PolarHBondContact O-N 2.8Å; L53-D55 VanDerWaalsContact O-N 3.11Å; D55-R57 PolarHBondContact O-N 3.49Å
56	H	59	Low	55.9	Low	126 Å²	126	139 Å²	139	58%	0.583	71%	0.708	S	S	*	*			trans	-85.1	81.9	-179	-84.3	36.4	0	0	0	106	R54	R54-H56 HydrophobicContact CB-CB 4.44Å; R54-H56 WeakPolarHBondContact CB-ND1 3.3Å; R54-H56 WeakPolarHBondContact CD-CE1 3.26Å; R54-H56 WeakPolarHBondContact CD-NE2 3.23Å; R54-H56 WeakPolarHBondContact CG-CE1 3.27Å; R54-H56 VanDerWaalsContact CG-ND1 3.29Å; R54-H56 WeakPolarHBondContact CG-ND1 3.34Å; R54-H56 PolarHBondContact NH1-CE1 3.42Å; R54-H56 PolarHBondContact NH1-NE2 3.4Å; R54-H56 PolarHBondContact O-N 3.3Å
57	R	62	Low	55.9	Low	198 Å²	198	142.9 Å²	142.9	75%	0.747	71%	0.714	S	S	*	*			trans	69.9	64	158.9	-166.9	-165.7	-84.8	-82.2	4	113.1	D55	D55-R57 PolarHBondContact O-N 3.49Å
58	M	56.2	Low	55.7	Low	180 Å²	180	148.3 Å²	148.3	89%	0.887	72%	0.72	S	S	*	*			trans	-93	43.1	142.2	-76.6	-159.4	-55.9	0	0	110.7	I60	M58-I60 PolarHBondContact O-N 3.1Å
59	E	62.3	Low	56.6	Low	139 Å²	139	151.2 Å²	151.2	65%	0.65	72%	0.722	S	S	*	*			trans	-87	92.1	152.5	-168	-176.5	-178.3	0	0	105.5	T61	E59-T61 PolarHBondContact O-N 2.89Å; E59-T61 PolarHBondContact O-OG1 3.48Å
60	I	55.6	Low	56.2	Low	152 Å²	152	148.8 Å²	148.8	78%	0.779	71%	0.711	S	S	*	*			trans	-66.1	82.8	162	25.3	170.5	0	0	0	106.4	M58 I62	M58-I60 PolarHBondContact O-N 3.1Å; I60-I62 PolarHBondContact O-N 3.41Å
61	T	54.6	Low	56.2	Low	66 Å²	66	147.8 Å²	147.8	41%	0.405	71%	0.71	S	S	.	*			trans	-63.5	83.1	168.2	-51.7	0	0	0	0	107.3	E59 R63	E59-T61 PolarHBondContact O-N 2.89Å; E59-T61 PolarHBondContact O-OG1 3.48Å; T61-R63 HydrophobicContact CG2-CB 3.4Å; T61-R63 PolarHBondContact O-N 3.34Å
62	I	62.6	Low	55.7	Low	146 Å²	146	150.9 Å²	150.9	75%	0.749	72%	0.723	S	S	*	*			trans	-77.9	60.6	156.6	-47.8	-176.1	0	0	0	106.2	I60 N64	I60-I62 PolarHBondContact O-N 3.41Å; I62-N64 VanDerWaalsContact C-N 3.3Å; I62-N64 PolarHBondContact O-N 3.04Å
63	R	64.8	Low	55.9	Low	194 Å²	194	153.1 Å²	153.1	73%	0.732	74%	0.736	S	S	*	*			trans	-76	97.2	166	-177.8	-176.1	-65.3	175.3	-0	104.6	T61 S65	T61-R63 HydrophobicContact CG2-CB 3.4Å; T61-R63 PolarHBondContact O-N 3.34Å; R63-S65 PolarHBondContact O-N 3.24Å
64	N	61.7	Low	56.2	Low	149 Å²	149	153.6 Å²	153.6	80%	0.797	73%	0.734	S	S	*	*			trans	-32.9	108.4	165.8	-90.6	-45.4	0	0	0	109.9	I62	I62-N64 VanDerWaalsContact C-N 3.3Å; I62-N64 PolarHBondContact O-N 3.04Å
65	S	54.1	Low	56.4	Low	104 Å²	104	152.3 Å²	152.3	73%	0.727	74%	0.738	S	S	*	*			trans	-123.2	107.1	161	-72.6	0	0	0	0	105.6	R63	R63-S65 PolarHBondContact O-N 3.24Å
66	P	63.3	Low	56.1	Low	110 Å²	110	155.1 Å²	155.1	71%	0.714	74%	0.737	S	S	*	*			trans	-77.2	129	-175	23.7	-17.5	0	0	0	110.2
67	Y	51.3	Low	56	Low	207 Å²	207	152.7 Å²	152.7	81%	0.812	75%	0.745	S	S	*	*			trans	50.3	112	159	-65.7	-85.8	0	0	0	119
68	R	46.4	Very low	55.8	Low	210 Å²	210	152.4 Å²	152.4	79%	0.792	75%	0.753	S	S	*	*			trans	-132	97	136.9	-71.8	-158.6	71.9	91.3	5.1	109.9	E70	R68-E70 IonicContact CZ-OE2 3.56Å; R68-E70 IonicContact NE-OE2 3.58Å; R68-E70 IonicContact NH2-OE1 3.39Å; R68-E70 PolarHBondContact NH2-OE1 3.47Å; R68-E70 IonicContact NH2-OE2 2.75Å; R68-E70 PolarHBondContact NH2-OE2 3.48Å
69	R	63.2	Low	55.7	Low	194 Å²	194	152.8 Å²	152.8	73%	0.732	75%	0.752	S	S	*	*			trans	-48.3	152.1	152	-168.4	-176	-66	166.8	-2	108.9
70	E	41.1	Very low	55.5	Low	126 Å²	126	150.7 Å²	150.7	59%	0.589	75%	0.745	S	S	*	*			trans	161.8	95.3	143.7	-84.1	118.4	-144.9	0	0	110.1	R68	R68-E70 IonicContact CZ-OE2 3.56Å; R68-E70 IonicContact NE-OE2 3.58Å; R68-E70 IonicContact NH2-OE1 3.39Å; R68-E70 PolarHBondContact NH2-OE1 3.47Å; R68-E70 IonicContact NH2-OE2 2.75Å; R68-E70 PolarHBondContact NH2-OE2 3.48Å
71	D	50.1	Low	55.7	Low	143 Å²	143	150.9 Å²	150.9	77%	0.765	75%	0.748	S	S	*	*				57.8	99.5	128.2	-44.4	-27.5	0	0	0	120.1
72	S	49.6	Very low	56	Low	120 Å²	120	153.2 Å²	153.2	84%	0.839	77%	0.767	S	S	*	*			trans	-162.4	79.4	136.3	-148.2	0	0	0	0	110.1
73	M	57.9	Low	55.7	Low	185 Å²	185	152.5 Å²	152.5	91%	0.911	76%	0.764	S	S	*	*			trans	-84	109.5	147.6	-73.6	-164.2	-163.6	0	0	105.4
74	E	53.6	Low	55.8	Low	181 Å²	181	146.1 Å²	146.1	85%	0.846	75%	0.753	S	S	*	*			trans	178.7	139.7	138.6	-145.3	89.7	-141.3	0	0	109.5
75	D	57.3	Low	55.9	Low	115 Å²	115	146.8 Å²	146.8	62%	0.615	76%	0.755	S	S	*	*			trans	108	100.6	149.9	-151	27.7	0	0	0	118.5
76	R	52.1	Low	56.6	Low	213 Å²	213	149.7 Å²	149.7	80%	0.804	75%	0.754	S	S	*	*			trans	82.9	107.6	166.8	-54.4	-172	177.6	79.1	13.3	115.2
77	G	57.5	Low	56.8	Low	74 Å²	74	149.4 Å²	149.4	76%	0.763	75%	0.752	S	S	*	*			cis	93.7	91.4	34.6	0	0	0	0	0	108.5
78	E	57.5	Low	57.2	Low	192 Å²	192	145.7 Å²	145.7	90%	0.897	75%	0.753	S	S	*	*			trans	75.7	132.8	171.2	-75.1	179.1	152.7	0	0	118.7
79	E	53.9	Low	58.1	Low	189 Å²	189	142.6 Å²	142.6	88%	0.883	75%	0.748	S	S	*	*			trans	87.2	74	168.8	-48	-169.5	161.8	0	0	118.4
80	D	57.9	Low	58	Low	94 Å²	94	142.9 Å²	142.9	50%	0.503	76%	0.758	S	S	.	*				-162.7	69.5	128.2	-134.9	-30.2	0	0	0	115.7	S82 L83	D80-S82 PolarHBondContact O-N 3.41Å; D80-S82 PolarHBondContact OD1-N 3.22Å; D80-L83 HydrophobicContact CB-CB 4.33Å; D80-L83 HydrophobicContact CB-CD1 4.16Å; D80-L83 HydrophobicContact CB-CG 4.23Å; D80-L83 PolarHBondContact O-N 3.32Å; D80-L83 PolarHBondContact OD1-N 3.03Å; D80-L83 WeakPolarHBondContact OD2-CD1 3.4Å; D80-L83 WeakPolarHBondContact OD2-CG 3.41Å
81	D	60.3	Low	58.9	Low	157 Å²	157	144.1 Å²	144.1	84%	0.84	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	2.8	169.2	-118.5	-0.2	0	0	0	112.8
82	S	60.5	Low	59.3	Low	115 Å²	115	142.8 Å²	142.8	80%	0.804	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-12.6	174.8	-63	0	0	0	0	113.4	D80	D80-S82 PolarHBondContact O-N 3.41Å; D80-S82 PolarHBondContact OD1-N 3.22Å
83	L	55.6	Low	59.8	Low	131 Å²	131	148.8 Å²	148.8	69%	0.686	77%	0.771	S	S	*	*	S	Bend	trans	-95	-6.9	175.4	-69.8	-177.2	0	0	0	114.2	D80 I85	D80-L83 HydrophobicContact CB-CB 4.33Å; D80-L83 HydrophobicContact CB-CD1 4.16Å; D80-L83 HydrophobicContact CB-CG 4.23Å; D80-L83 PolarHBondContact O-N 3.32Å; D80-L83 PolarHBondContact OD1-N 3.03Å; D80-L83 WeakPolarHBondContact OD2-CD1 3.4Å; D80-L83 WeakPolarHBondContact OD2-CG 3.41Å; L83-I85 PolarHBondContact O-N 2.87Å
84	A	67.8	Low	60	Low	59 Å²	59	149.2 Å²	149.2	49%	0.488	77%	0.768	S	S	.	*			trans	-75.3	98.8	172.6	0	0	0	0	0	110.1	K86	A84-K86 VanDerWaalsContact C-N 3.31Å; A84-K86 PolarHBondContact O-N 3.37Å
85	I	62.4	Low	60.3	Low	164 Å²	164	149.9 Å²	149.9	84%	0.841	77%	0.771	S	S	*	*			trans	-59.4	98.7	163	-59.8	173	0	0	0	106.9	L83 P87	L83-I85 PolarHBondContact O-N 2.87Å; I85-P87 WeakPolarHBondContact O-CD 3.4Å
86	K	68.8	Low	60.3	Low	165 Å²	165	154.5 Å²	154.5	72%	0.717	79%	0.786	S	S	*	*			trans	-56.4	123.2	176.1	-66.4	178.5	178.9	175.2	0	108	A84	A84-K86 VanDerWaalsContact C-N 3.31Å; A84-K86 PolarHBondContact O-N 3.37Å
87	P	69	Low	60.7	Low	104 Å²	104	148.6 Å²	148.6	68%	0.675	78%	0.783	S	S	*	*			trans	-59.2	144.4	169.3	25.7	-32.4	0	0	0	107.8	I85 Q89	I85-P87 WeakPolarHBondContact O-CD 3.4Å; P87-Q89 PolarHBondContact O-N 3.21Å
88	P	58.4	Low	60.7	Low	128 Å²	128	153.1 Å²	153.1	83%	0.831	78%	0.784	S	S	*	*			trans	-54.7	110.7	-175.9	21.4	-32	0	0	0	108.9	Q90	P88-Q90 PolarHBondContact O-N 3.47Å
89	Q	64.7	Low	60.9	Low	146 Å²	146	150.2 Å²	150.2	68%	0.682	77%	0.77	S	S	*	*			trans	-57	117.6	175.1	-76.2	-169.8	-18	0	0	107	P87 M91	P87-Q89 PolarHBondContact O-N 3.21Å; Q89-M91 HydrophobicContact CB-CG 4.43Å; Q89-M91 PolarHBondContact O-N 3.41Å
90	Q	61.9	Low	61.1	Low	199 Å²	199	152.1 Å²	152.1	93%	0.93	77%	0.769	S	S	*	*			trans	-62.6	84.3	160.1	-90.1	-173.1	-44.1	0	0	107.1	P88 S92	P88-Q90 PolarHBondContact O-N 3.47Å; Q90-S92 PolarHBondContact O-N 3.49Å; Q90-S92 VanDerWaalsContact O-N 3.1Å
91	M	60.5	Low	61.2	Low	153 Å²	153	156.4 Å²	156.4	75%	0.754	78%	0.783	S	S	*	*			trans	-60.7	113.5	170.2	-67.6	-78.6	-73.7	0	0	106.6	Q89 R93	Q89-M91 HydrophobicContact CB-CG 4.43Å; Q89-M91 PolarHBondContact O-N 3.41Å; M91-R93 PolarHBondContact O-N 2.9Å
92	S	57.3	Low	61.3	Low	114 Å²	114	153.3 Å²	153.3	80%	0.797	77%	0.766	S	S	*	*			trans	-50.9	129	173.5	51.9	0	0	0	0	109.6	Q90 K94	Q90-S92 PolarHBondContact O-N 3.49Å; Q90-S92 VanDerWaalsContact O-N 3.1Å; S92-K94 VanDerWaalsContact C-N 3.33Å; S92-K94 PolarHBondContact O-N 3.14Å
93	R	61.3	Low	61.5	Low	246 Å²	246	153.5 Å²	153.5	93%	0.928	76%	0.755	S	S	*	*	S	Bend	trans	-69.5	79	-173.9	-177.9	-171.8	-179.5	-168.5	0.6	110.6	M91	M91-R93 PolarHBondContact O-N 2.9Å
94	K	62.6	Low	62.1	Low	195 Å²	195	153.9 Å²	153.9	85%	0.848	75%	0.751	S	S	*	*			trans	-163.3	61.9	167.8	-158.2	110.1	177.8	-165.6	0	116	S92	S92-K94 VanDerWaalsContact C-N 3.33Å; S92-K94 PolarHBondContact O-N 3.14Å
95	E	58.9	Low	61.9	Low	195 Å²	195	160.7 Å²	160.7	91%	0.911	76%	0.764	S	S	*	*			trans	-163.8	61.6	157.2	-133.9	-176.6	171.8	0	0	115.4
96	K	58.2	Low	62	Low	212 Å²	212	159.5 Å²	159.5	92%	0.922	75%	0.753	S	S	*	*			trans	-138.4	61	173.1	-73.4	-177.5	175.6	171.2	0	112
97	A	60.5	Low	61.7	Low	89 Å²	89	156.7 Å²	156.7	74%	0.736	74%	0.742	S	S	*	*	S	Bend	trans	-107.3	-15.4	173.4	0	0	0	0	0	114.5
98	H	57.3	Low	61.6	Low	169 Å²	169	159 Å²	159	78%	0.782	74%	0.742	S	S	*	*	S	Bend	trans	-107.9	-1.4	-171.5	-80.4	-79.5	0	0	0	117
99	H	60.7	Low	61.9	Low	131 Å²	131	162.7 Å²	162.7	61%	0.606	74%	0.739	S	S	*	*	H	α-helix	trans	-85	-13.3	-172.6	-138.1	54.1	0	0	0	116.1	K101 E103	H99-K101 PolarHBondContact O-N 2.88Å; H99-E103 WeakPolarHBondContact O-CB 3.42Å; H99-E103 PolarHBondContact O-N 3.25Å
100	R	59.1	Low	61.8	Low	228 Å²	228	164.1 Å²	164.1	86%	0.86	74%	0.738	S	S	*	*	H	α-helix	trans	-75.8	-26.3	-170.3	-132.1	177.9	-171.7	142	0.8	114.6
101	K	60.4	Low	61.8	Low	184 Å²	184	160.7 Å²	160.7	80%	0.8	72%	0.721	S	S	*	*	H	α-helix	trans	-90.7	-35.4	-174.7	-160.2	173.3	-178.2	179.9	0	112.6	H99 R105	H99-K101 PolarHBondContact O-N 2.88Å; K101-R105 PolarHBondContact O-N 3.42Å
102	D	62.3	Low	61.5	Low	92 Å²	92	164 Å²	164	49%	0.492	73%	0.726	S	S	.	*	H	α-helix	trans	-77.2	-32.2	179.1	-79.6	-19.9	0	0	0	113.1	R105 K106	D102-R105 PolarHBondContact O-N 3.19Å; D102-K106 WeakPolarHBondContact O-CB 3.4Å; D102-K106 PolarHBondContact O-N 3.46Å
103	E	64	Low	61.3	Low	120 Å²	120	162.4 Å²	162.4	56%	0.561	71%	0.714	S	S	*	*	H	α-helix	trans	-64.2	-43.9	175.7	-157.9	174	-154.7	0	0	110.9	H99 R105 K106 E107	H99-E103 WeakPolarHBondContact O-CB 3.42Å; H99-E103 PolarHBondContact O-N 3.25Å; E103-R105 VanDerWaalsContact C-N 3.32Å; E103-R105 PolarHBondContact O-N 3.39Å; E103-K106 PolarHBondContact O-N 3.47Å; E103-E107 VanDerWaalsContact O-CB 3.25Å; E103-E107 WeakPolarHBondContact O-CB 3.45Å; E103-E107 PolarHBondContact O-N 3.32Å
104	K	68	Low	61	Low	138 Å²	138	157.4 Å²	157.4	60%	0.6	70%	0.701	S	S	*	*	H	α-helix	trans	-67.5	-29	176.1	-162.9	155.2	-173.8	167.3	0	113.4	K108	K104-K108 PolarHBondContact O-N 3.26Å
105	R	64.1	Low	60.4	Low	202 Å²	202	153.5 Å²	153.5	76%	0.762	70%	0.698	S	S	*	*	H	α-helix	trans	-75.9	-39.2	174	-167.3	178.4	-177.6	-171.9	0.8	111.8	K101 D102 E103 R109	K101-R105 PolarHBondContact O-N 3.42Å; D102-R105 PolarHBondContact O-N 3.19Å; E103-R105 VanDerWaalsContact C-N 3.32Å; E103-R105 PolarHBondContact O-N 3.39Å; R105-R109 PolarHBondContact O-N 3.02Å
106	K	64.1	Low	60.1	Low	140 Å²	140	148.6 Å²	148.6	61%	0.609	69%	0.691	S	S	*	*	H	α-helix	trans	-69.1	-36.2	173.4	-78.9	-179	176.5	176.1	0	111.9	D102 E103 R109 R110	D102-K106 WeakPolarHBondContact O-CB 3.4Å; D102-K106 PolarHBondContact O-N 3.46Å; E103-K106 PolarHBondContact O-N 3.47Å; K106-R109 PolarHBondContact O-N 2.97Å; K106-R110 WeakPolarHBondContact O-CG 3.47Å; K106-R110 PolarHBondContact O-N 3.42Å; K106-R110 VanDerWaalsContact O-N 3.08Å
107	E	61.8	Low	59.6	Low	106 Å²	106	144.1 Å²	144.1	50%	0.495	67%	0.673	S	S	.	*	H	α-helix	trans	-63.9	-49	175.4	-174.4	173.9	-148.7	0	0	111.6	E103 R109 R110 H111	E103-E107 VanDerWaalsContact O-CB 3.25Å; E103-E107 WeakPolarHBondContact O-CB 3.45Å; E103-E107 PolarHBondContact O-N 3.32Å; E107-R109 PolarHBondContact O-N 3.07Å; E107-R110 PolarHBondContact O-N 2.85Å; E107-H111 PolarHBondContact O-CD2 3.19Å; E107-H111 PolarHBondContact O-N 3.28Å; E107-H111 VanDerWaalsContact O-N 3.13Å
108	K	67.6	Low	59.3	Low	153 Å²	153	143.5 Å²	143.5	67%	0.665	68%	0.676	S	S	*	*	H	α-helix	trans	-59.9	-32.6	173.8	-77.3	-166.2	174.8	-172.2	0	113.3	K104 R112	K104-K108 PolarHBondContact O-N 3.26Å; K108-R112 PolarHBondContact O-N 3.09Å
109	R	64	Low	59.2	Low	205 Å²	205	138.7 Å²	138.7	77%	0.774	67%	0.672	S	S	*	*	H	α-helix	trans	-70.2	-31.4	175.7	-164.8	173.5	172.9	174	-2.7	112.2	R105 K106 E107	R105-R109 PolarHBondContact O-N 3.02Å; K106-R109 PolarHBondContact O-N 2.97Å; E107-R109 PolarHBondContact O-N 3.07Å
110	R	62.9	Low	58.9	Low	175 Å²	175	138.5 Å²	138.5	66%	0.66	67%	0.67	S	S	*	*	H	α-helix	trans	-75.5	-31.5	176.6	-70.9	173	-177.5	-120.1	2.1	113.4	K106 E107 S113 H114	K106-R110 WeakPolarHBondContact O-CG 3.47Å; K106-R110 PolarHBondContact O-N 3.42Å; K106-R110 VanDerWaalsContact O-N 3.08Å; E107-R110 PolarHBondContact O-N 2.85Å; R110-S113 PolarHBondContact O-OG 3.33Å; R110-S113 VanDerWaalsContact O-OG 3.14Å; R110-H114 PolarHBondContact O-N 2.85Å
111	H	62.4	Low	58.3	Low	127 Å²	127	135.7 Å²	135.7	59%	0.588	67%	0.666	S	S	*	*	H	α-helix	trans	-74.1	-24.6	175.7	-68	-66.1	0	0	0	113.6	E107	E107-H111 PolarHBondContact O-CD2 3.19Å; E107-H111 PolarHBondContact O-N 3.28Å; E107-H111 VanDerWaalsContact O-N 3.13Å
112	R	53.6	Low	57.7	Low	224 Å²	224	130.7 Å²	130.7	85%	0.845	66%	0.659	S	S	*	*	H	α-helix	trans	-76.5	-26.3	176.5	-169.9	170.8	-85.1	165	-7.7	113	K108	K108-R112 PolarHBondContact O-N 3.09Å
113	S	52.7	Low	57.1	Low	79 Å²	79	135.8 Å²	135.8	55%	0.552	67%	0.671	S	S	*	*	H	α-helix	trans	-88.2	-19.5	177.2	50.7	0	0	0	0	114.3	R110	R110-S113 PolarHBondContact O-OG 3.33Å; R110-S113 VanDerWaalsContact O-OG 3.14Å
114	H	55.3	Low	56.3	Low	141 Å²	141	134.7 Å²	134.7	65%	0.653	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-9.4	-179.4	-93.7	-60.1	0	0	0	115.6	R110	R110-H114 PolarHBondContact O-N 2.85Å
115	S	51	Low	55.3	Low	113 Å²	113	134 Å²	134	79%	0.79	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-1.9	176.7	-75	0	0	0	0	114.5
116	A	51.6	Low	54.5	Low	92 Å²	92	130.8 Å²	130.8	76%	0.76	66%	0.663	S	S	*	*	S	Bend	trans	-100.4	-7.4	176.8	0	0	0	0	0	113.8	G118	A116-G118 PolarHBondContact O-N 2.95Å
117	E	47.8	Very low	53.9	Low	118 Å²	118	131.1 Å²	131.1	55%	0.551	67%	0.665	S	S	*	*			trans	-96.7	68.7	174.6	-154.3	-173.9	161.1	0	0	110	K120	E117-K120 WeakPolarHBondContact OE1-CE 3.41Å; E117-K120 IonicContact OE1-NZ 2.69Å; E117-K120 PolarHBondContact OE1-NZ 3.05Å; E117-K120 IonicContact OE2-NZ 3.79Å
118	G	54.5	Low	53.3	Low	76 Å²	76	132.6 Å²	132.6	78%	0.784	67%	0.672	S	S	*	*			trans	-61.1	131.1	162.1	0	0	0	0	0	110	A116	A116-G118 PolarHBondContact O-N 2.95Å
119	G	55.7	Low	52.6	Low	69 Å²	69	133.3 Å²	133.3	71%	0.711	67%	0.67	S	S	*	*			trans	153.6	-5.9	166.6	0	0	0	0	0	119
120	K	53.7	Low	51.8	Low	127 Å²	127	128.5 Å²	128.5	55%	0.552	66%	0.657	S	S	*	*	S	Bend	trans	-109.6	-10.3	-171.2	-44.6	-170	-167	-176.2	0	115.7	E117 V124	E117-K120 WeakPolarHBondContact OE1-CE 3.41Å; E117-K120 IonicContact OE1-NZ 2.69Å; E117-K120 PolarHBondContact OE1-NZ 3.05Å; E117-K120 IonicContact OE2-NZ 3.79Å; K120-V124 WeakPolarHBondContact O-CG2 3.3Å
121	H	47.4	Very low	51.6	Low	169 Å²	169	126.7 Å²	126.7	78%	0.782	66%	0.655	S	S	*	*	H	α-helix	trans	-85.2	-15.5	-174.9	-72.9	77.1	0	0	0	114.6
122	A	47.6	Very low	51.2	Low	79 Å²	79	125.5 Å²	125.5	65%	0.653	65%	0.65	S	S	*	*	H	α-helix	trans	-76.2	-45.3	176.7	0	0	0	0	0	112.2	V124 K125 E126	A122-V124 VanDerWaalsContact C-N 3.35Å; A122-V124 PolarHBondContact O-N 3.41Å; A122-K125 PolarHBondContact O-N 3.25Å; A122-E126 PolarHBondContact O-N 3.38Å
123	R	48.5	Very low	51.2	Low	198 Å²	198	123.8 Å²	123.8	75%	0.747	64%	0.644	S	S	*	*	H	α-helix	trans	-71.1	-24	-179.1	-86	-175.4	166.2	-163.5	-3.2	114.5	K127	R123-K127 WeakPolarHBondContact O-CB 3.26Å; R123-K127 WeakPolarHBondContact O-CG 3.43Å; R123-K127 PolarHBondContact O-N 2.88Å
124	V	48.5	Very low	51.4	Low	97 Å²	97	129 Å²	129	59%	0.588	65%	0.651	S	S	*	*	H	α-helix	trans	-78.6	-40.8	177.1	176	0	0	0	0	110.9	K120 A122 E126 K127 E128	K120-V124 WeakPolarHBondContact O-CG2 3.3Å; A122-V124 VanDerWaalsContact C-N 3.35Å; A122-V124 PolarHBondContact O-N 3.41Å; V124-E126 VanDerWaalsContact C-N 3.33Å; V124-E126 PolarHBondContact O-N 2.72Å; V124-K127 PolarHBondContact O-N 3.46Å; V124-E128 PolarHBondContact O-N 3.18Å
125	K	47	Very low	51.5	Low	125 Å²	125	129 Å²	129	54%	0.543	65%	0.649	S	S	.	*	H	α-helix	trans	-71.8	-26.8	179.5	-165.9	140.9	-179.2	168.8	0	113.3	A122 R129	A122-K125 PolarHBondContact O-N 3.25Å; K125-R129 WeakPolarHBondContact O-CG 3.35Å; K125-R129 PolarHBondContact O-N 3.01Å
126	E	46.5	Very low	51.7	Low	133 Å²	133	128.8 Å²	128.8	62%	0.621	63%	0.631	S	S	*	*	H	α-helix	trans	-74.4	-45.2	171	-168.4	-179.1	-176.3	0	0	111.8	A122 V124 E128 R129 E130	A122-E126 PolarHBondContact O-N 3.38Å; V124-E126 VanDerWaalsContact C-N 3.33Å; V124-E126 PolarHBondContact O-N 2.72Å; E126-E128 VanDerWaalsContact C-N 3.27Å; E126-E128 PolarHBondContact O-N 3.47Å; E126-R129 PolarHBondContact O-N 3.27Å; E126-E130 WeakPolarHBondContact O-CB 3.26Å; E126-E130 PolarHBondContact O-N 3.01Å
127	K	52.8	Low	52.1	Low	147 Å²	147	129.7 Å²	129.7	64%	0.639	62%	0.619	S	S	*	*	H	α-helix	trans	-60.2	-34	174.7	-84	-178.9	171.8	-174.2	0	113.2	R123 V124 H131	R123-K127 WeakPolarHBondContact O-CB 3.26Å; R123-K127 WeakPolarHBondContact O-CG 3.43Å; R123-K127 PolarHBondContact O-N 2.88Å; V124-K127 PolarHBondContact O-N 3.46Å; K127-H131 WeakPolarHBondContact O-CB 3.18Å; K127-H131 PolarHBondContact O-N 2.99Å
128	E	48.9	Very low	52.5	Low	138 Å²	138	133.9 Å²	133.9	65%	0.645	63%	0.63	S	S	*	*	H	α-helix	trans	-70.3	-41.4	176.4	-164.1	-178.3	-178.6	0	0	112.1	V124 E126 H131 E132	V124-E128 PolarHBondContact O-N 3.18Å; E126-E128 VanDerWaalsContact C-N 3.27Å; E126-E128 PolarHBondContact O-N 3.47Å; E128-H131 PolarHBondContact O-N 2.93Å; E128-E132 WeakPolarHBondContact O-CB 3.44Å; E128-E132 PolarHBondContact O-N 3.47Å
129	R	52	Low	52.8	Low	167 Å²	167	135 Å²	135	63%	0.63	62%	0.615	S	S	*	*	H	α-helix	trans	-68.8	-33.9	174.3	-74.4	174.5	172.5	168.9	-3.8	112.8	K125 E126 R133	K125-R129 WeakPolarHBondContact O-CG 3.35Å; K125-R129 PolarHBondContact O-N 3.01Å; E126-R129 PolarHBondContact O-N 3.27Å; R129-R133 WeakPolarHBondContact O-CG 3.32Å; R129-R133 PolarHBondContact O-N 3.4Å; R129-R133 VanDerWaalsContact O-N 3.14Å
130	E	47.3	Very low	52.9	Low	105 Å²	105	137.9 Å²	137.9	49%	0.491	61%	0.61	S	S	.	*	H	α-helix	trans	-71.8	-42.8	174.6	-166.2	-169.9	170.2	0	0	111.5	E126 E132 R133 R134	E126-E130 WeakPolarHBondContact O-CB 3.26Å; E126-E130 PolarHBondContact O-N 3.01Å; E130-E132 VanDerWaalsContact C-N 3.28Å; E130-E132 PolarHBondContact O-N 2.86Å; E130-R133 PolarHBondContact O-N 3.28Å; E130-R134 WeakPolarHBondContact O-CB 3.34Å; E130-R134 PolarHBondContact O-N 3.43Å
131	H	58.8	Low	53.1	Low	136 Å²	136	137.8 Å²	137.8	63%	0.63	61%	0.611	S	S	*	*	H	α-helix	trans	-64.1	-33.3	175.8	-166.2	-92.3	0	0	0	111.9	K127 E128 K135	K127-H131 WeakPolarHBondContact O-CB 3.18Å; K127-H131 PolarHBondContact O-N 2.99Å; E128-H131 PolarHBondContact O-N 2.93Å; H131-K135 VanDerWaalsContact O-CB 3.22Å; H131-K135 WeakPolarHBondContact O-CB 3.27Å; H131-K135 PolarHBondContact O-N 3.02Å
132	E	53.3	Low	53.9	Low	102 Å²	102	133.5 Å²	133.5	48%	0.477	59%	0.594	S	S	.	*	H	α-helix	trans	-68.5	-41	172.3	-160.9	-156.8	-179	0	0	112.4	E128 E130 R136	E128-E132 WeakPolarHBondContact O-CB 3.44Å; E128-E132 PolarHBondContact O-N 3.47Å; E130-E132 VanDerWaalsContact C-N 3.28Å; E130-E132 PolarHBondContact O-N 2.86Å; E132-R136 VanDerWaalsContact CD-CZ 3.45Å; E132-R136 WeakPolarHBondContact O-CG 3.45Å; E132-R136 PolarHBondContact O-N 2.87Å; E132-R136 VanDerWaalsContact O-N 3.07Å; E132-R136 IonicContact OE1-CZ 3.61Å; E132-R136 IonicContact OE1-NH1 2.75Å; E132-R136 PolarHBondContact OE1-NH1 3.5Å; E132-R136 IonicContact OE1-NH2 3.73Å; E132-R136 IonicContact OE2-CZ 3.47Å; E132-R136 IonicContact OE2-NH1 3.29Å; E132-R136 PolarHBondContact OE2-NH1 2.77Å; E132-R136 IonicContact OE2-NH2 2.8Å; E132-R136 PolarHBondContact OE2-NH2 3.31Å
133	R	55.1	Low	55.2	Low	189 Å²	189	135.2 Å²	135.2	71%	0.713	59%	0.587	S	S	*	*	H	α-helix	trans	-64.9	-41.7	173.5	-77.2	-178.5	141.8	-146.8	-6.9	112.5	R129 E130 R136 H137	R129-R133 WeakPolarHBondContact O-CG 3.32Å; R129-R133 PolarHBondContact O-N 3.4Å; R129-R133 VanDerWaalsContact O-N 3.14Å; E130-R133 PolarHBondContact O-N 3.28Å; R133-R136 PolarHBondContact O-N 3.31Å; R133-H137 PolarHBondContact O-N 3.23Å
134	R	56.8	Low	56.1	Low	187 Å²	187	128.5 Å²	128.5	71%	0.706	57%	0.574	S	S	*	*	H	α-helix	trans	-71.3	-32.1	180	-148.7	168.7	-176.5	174.3	-1.3	112.2	E130 R138	E130-R134 WeakPolarHBondContact O-CB 3.34Å; E130-R134 PolarHBondContact O-N 3.43Å; R134-R138 PolarHBondContact O-N 3.41Å
135	K	56.8	Low	57.3	Low	141 Å²	141	132.9 Å²	132.9	61%	0.613	58%	0.58	S	S	*	*	H	α-helix	trans	-69.4	-41.9	172.4	-168.3	178.3	-179.4	-176	0	112	H131 H137 R138 E139	H131-K135 VanDerWaalsContact O-CB 3.22Å; H131-K135 WeakPolarHBondContact O-CB 3.27Å; H131-K135 PolarHBondContact O-N 3.02Å; K135-H137 PolarHBondContact O-N 2.86Å; K135-R138 PolarHBondContact O-N 2.77Å; K135-E139 WeakPolarHBondContact O-CB 3.36Å; K135-E139 PolarHBondContact O-N 2.77Å; K135-E139 VanDerWaalsContact O-N 3.09Å
136	R	54.7	Low	58.4	Low	109 Å²	109	134 Å²	134	41%	0.411	58%	0.581	S	S	.	*	H	α-helix	trans	-57.9	-42.6	174.5	-79.5	-174.5	-80	-108.3	-7	113.1	E132 R133 R138 E139 E140	E132-R136 VanDerWaalsContact CD-CZ 3.45Å; E132-R136 WeakPolarHBondContact O-CG 3.45Å; E132-R136 PolarHBondContact O-N 2.87Å; E132-R136 VanDerWaalsContact O-N 3.07Å; E132-R136 IonicContact OE1-CZ 3.61Å; E132-R136 IonicContact OE1-NH1 2.75Å; E132-R136 PolarHBondContact OE1-NH1 3.5Å; E132-R136 IonicContact OE1-NH2 3.73Å; E132-R136 IonicContact OE2-CZ 3.47Å; E132-R136 IonicContact OE2-NH1 3.29Å; E132-R136 PolarHBondContact OE2-NH1 2.77Å; E132-R136 IonicContact OE2-NH2 2.8Å; E132-R136 PolarHBondContact OE2-NH2 3.31Å; R133-R136 PolarHBondContact O-N 3.31Å; R136-R138 PolarHBondContact O-N 3.31Å; R136-E139 PolarHBondContact O-N 3.45Å; R136-E140 WeakPolarHBondContact O-CB 3.24Å; R136-E140 PolarHBondContact O-N 3.15Å
137	H	59.7	Low	59.9	Low	111 Å²	111	133.5 Å²	133.5	51%	0.514	58%	0.578	S	S	.	*	H	α-helix	trans	-66.7	-35.8	180	-178.3	-96.3	0	0	0	113.5	R133 K135 Q141	R133-H137 PolarHBondContact O-N 3.23Å; K135-H137 PolarHBondContact O-N 2.86Å; H137-Q141 PolarHBondContact CE1-NE2 3.47Å; H137-Q141 PolarHBondContact O-N 3.44Å
138	R	56.5	Low	61.1	Low	206 Å²	206	134.3 Å²	134.3	78%	0.777	58%	0.578	S	S	*	*	H	α-helix	trans	-69.7	-38.8	175	-129.5	174.8	-164	174.1	2.4	111.4	R134 K135 R136 D142	R134-R138 PolarHBondContact O-N 3.41Å; K135-R138 PolarHBondContact O-N 2.77Å; R136-R138 PolarHBondContact O-N 3.31Å; R138-D142 PolarHBondContact O-N 3.13Å
139	E	60.3	Low	62.5	Low	101 Å²	101	132.6 Å²	132.6	47%	0.472	57%	0.569	S	S	.	*	H	α-helix	trans	-73.4	-28.6	178.4	-154.1	177	168.6	0	0	112.7	K135 R136 K143	K135-E139 WeakPolarHBondContact O-CB 3.36Å; K135-E139 PolarHBondContact O-N 2.77Å; K135-E139 VanDerWaalsContact O-N 3.09Å; R136-E139 PolarHBondContact O-N 3.45Å; E139-K143 VanDerWaalsContact O-CB 3.3Å; E139-K143 WeakPolarHBondContact O-CB 3.42Å; E139-K143 VanDerWaalsContact O-CG 3.26Å; E139-K143 WeakPolarHBondContact O-CG 3.5Å; E139-K143 PolarHBondContact O-N 2.69Å
140	E	58.1	Low	63.7	Low	129 Å²	129	130.4 Å²	130.4	60%	0.603	56%	0.561	S	S	*	*	H	α-helix	trans	-70	-40.3	172.2	-97.4	175.9	154.2	0	0	112.9	R136 K143 A144	R136-E140 WeakPolarHBondContact O-CB 3.24Å; R136-E140 PolarHBondContact O-N 3.15Å; E140-K143 PolarHBondContact O-N 3.14Å; E140-A144 WeakPolarHBondContact O-CB 3.17Å; E140-A144 PolarHBondContact O-N 3.42Å
141	Q	57.7	Low	65.2	Low	124 Å²	124	130.9 Å²	130.9	58%	0.579	56%	0.563	S	S	*	*	H	α-helix	trans	-64.9	-41.9	175.4	-75.7	-167.6	28.7	0	0	111.9	H137 A144 R145	H137-Q141 PolarHBondContact CE1-NE2 3.47Å; H137-Q141 PolarHBondContact O-N 3.44Å; Q141-A144 PolarHBondContact O-N 3.08Å; Q141-R145 PolarHBondContact O-N 3.29Å
142	D	65.1	Low	66.4	Low	79 Å²	79	129.6 Å²	129.6	42%	0.422	56%	0.556	S	S	.	*	H	α-helix	trans	-70	-31.9	175.7	-90.6	-11.8	0	0	0	112.7	R138 R146	R138-D142 PolarHBondContact O-N 3.13Å; D142-R146 WeakPolarHBondContact O-CB 3.22Å; D142-R146 WeakPolarHBondContact O-CG 3.2Å; D142-R146 PolarHBondContact O-N 3.1Å
143	K	74.6	Confident	67.2	Low	115 Å²	115	133.4 Å²	133.4	50%	0.5	57%	0.566	S	S	.	*	H	α-helix	trans	-67.3	-44.4	171.2	-84.6	174.2	-177.4	171.9	0	111.5	E139 E140 R145 R146 E147	E139-K143 VanDerWaalsContact O-CB 3.3Å; E139-K143 WeakPolarHBondContact O-CB 3.42Å; E139-K143 VanDerWaalsContact O-CG 3.26Å; E139-K143 WeakPolarHBondContact O-CG 3.5Å; E139-K143 PolarHBondContact O-N 2.69Å; E140-K143 PolarHBondContact O-N 3.14Å; K143-R145 VanDerWaalsContact C-N 3.3Å; K143-R145 PolarHBondContact O-N 3.24Å; K143-R146 PolarHBondContact O-N 3.19Å; K143-E147 VanDerWaalsContact O-CB 3.27Å; K143-E147 WeakPolarHBondContact O-CB 3.44Å; K143-E147 PolarHBondContact O-N 3.03Å
144	A	68.8	Low	68.2	Low	58 Å²	58	131.3 Å²	131.3	48%	0.479	56%	0.558	S	S	.	*	H	α-helix	trans	-60.6	-41	177.2	0	0	0	0	0	111.4	E140 Q141 W148	E140-A144 WeakPolarHBondContact O-CB 3.17Å; E140-A144 PolarHBondContact O-N 3.42Å; Q141-A144 PolarHBondContact O-N 3.08Å; A144-W148 VanDerWaalsContact O-CB 3.26Å; A144-W148 WeakPolarHBondContact O-CB 3.4Å; A144-W148 PolarHBondContact O-N 3.23Å
145	R	73.6	Confident	68.9	Low	189 Å²	189	128 Å²	128	71%	0.713	55%	0.55	S	S	*	*	H	α-helix	trans	-64	-47	174.4	-173.8	174.1	175	-109.7	-2.3	112.5	Q141 K143 W148 E149	Q141-R145 PolarHBondContact O-N 3.29Å; K143-R145 VanDerWaalsContact C-N 3.3Å; K143-R145 PolarHBondContact O-N 3.24Å; R145-W148 PolarHBondContact O-N 3.05Å; R145-E149 PolarHBondContact O-N 3.06Å
146	R	70.1	Confident	69.7	Low	149 Å²	149	125.5 Å²	125.5	56%	0.562	54%	0.542	S	S	*	.	H	α-helix	trans	-69.3	-33.9	177.5	-74.6	-176.8	-175.3	123.9	-0.9	113.2	D142 K143 R150	D142-R146 WeakPolarHBondContact O-CB 3.22Å; D142-R146 WeakPolarHBondContact O-CG 3.2Å; D142-R146 PolarHBondContact O-N 3.1Å; K143-R146 PolarHBondContact O-N 3.19Å; R146-R150 WeakPolarHBondContact O-CB 3.37Å; R146-R150 PolarHBondContact O-N 3.24Å
147	E	76.6	Confident	70.2	Confident	121 Å²	121	123.3 Å²	123.3	57%	0.565	55%	0.547	S	S	*	.	H	α-helix	trans	-71.7	-38	175.1	-83.9	-166.1	145	0	0	111.7	K143 E149 R150 Q151	K143-E147 VanDerWaalsContact O-CB 3.27Å; K143-E147 WeakPolarHBondContact O-CB 3.44Å; K143-E147 PolarHBondContact O-N 3.03Å; E147-E149 VanDerWaalsContact C-N 3.32Å; E147-E149 PolarHBondContact O-N 3.34Å; E147-R150 CarbonylContact O-C 3.59Å; E147-R150 PolarHBondContact O-N 2.85Å; E147-Q151 WeakPolarHBondContact O-CB 3.44Å; E147-Q151 PolarHBondContact O-N 2.8Å
148	W	78.1	Confident	70.6	Confident	165 Å²	165	125.3 Å²	125.3	63%	0.625	55%	0.55	S	S	*	*	H	α-helix	trans	-60	-43.4	172.8	-176.2	85.3	0	0	0	111.4	A144 R145 Q151 K152	A144-W148 VanDerWaalsContact O-CB 3.26Å; A144-W148 WeakPolarHBondContact O-CB 3.4Å; A144-W148 PolarHBondContact O-N 3.23Å; R145-W148 PolarHBondContact O-N 3.05Å; W148-Q151 PolarHBondContact O-N 2.89Å; W148-K152 HydrophobicContact CH2-CD 3.96Å; W148-K152 HydrophobicContact CZ2-CD 4.4Å; W148-K152 HydrophobicContact CZ3-CD 4.15Å; W148-K152 WeakPolarHBondContact O-CB 2.99Å; W148-K152 PolarHBondContact O-N 3.38Å
149	E	78.3	Confident	70.5	Confident	101 Å²	101	119 Å²	119	47%	0.472	53%	0.53	S	S	.	.	H	α-helix	trans	-66.2	-41.1	175.9	-160.2	-164	153.6	0	0	112.3	R145 E147 K152 R153	R145-E149 PolarHBondContact O-N 3.06Å; E147-E149 VanDerWaalsContact C-N 3.32Å; E147-E149 PolarHBondContact O-N 3.34Å; E149-K152 PolarHBondContact O-N 2.81Å; E149-R153 PolarHBondContact O-N 3.28Å
150	R	77.5	Confident	70.6	Confident	121 Å²	121	119.1 Å²	119.1	46%	0.457	53%	0.53	S	S	.	.	H	α-helix	trans	-67.3	-36.5	176	-171	-179.3	-67.8	113.7	-1	111.9	R146 E147 R154	R146-R150 WeakPolarHBondContact O-CB 3.37Å; R146-R150 PolarHBondContact O-N 3.24Å; E147-R150 CarbonylContact O-C 3.59Å; E147-R150 PolarHBondContact O-N 2.85Å; R150-R154 VanDerWaalsContact O-CG 3.26Å; R150-R154 WeakPolarHBondContact O-CG 3.34Å; R150-R154 PolarHBondContact O-N 3.45Å
151	Q	79.4	Confident	70.5	Confident	115 Å²	115	116.6 Å²	116.6	54%	0.537	53%	0.526	S	S	.	.	H	α-helix	trans	-67.5	-45.2	175.3	-175.4	-177.6	-21.7	0	0	110	E147 W148 R153 R154 E155	E147-Q151 WeakPolarHBondContact O-CB 3.44Å; E147-Q151 PolarHBondContact O-N 2.8Å; W148-Q151 PolarHBondContact O-N 2.89Å; Q151-R153 VanDerWaalsContact C-N 3.34Å; Q151-R153 PolarHBondContact O-N 3.28Å; Q151-R154 CarbonylContact O-C 3.55Å; Q151-R154 WeakPolarHBondContact O-CB 3.13Å; Q151-R154 PolarHBondContact O-N 3.3Å; Q151-R154 VanDerWaalsContact O-N 3.08Å; Q151-E155 WeakPolarHBondContact O-CB 3.26Å; Q151-E155 PolarHBondContact O-N 3.3Å
152	K	83.4	Confident	70.4	Confident	110 Å²	110	119.5 Å²	119.5	48%	0.478	53%	0.532	S	S	.	.	H	α-helix	trans	-57.8	-43.8	174.9	-168	174	-177.8	179	0	111.7	W148 E149 R154 E155 M156	W148-K152 HydrophobicContact CH2-CD 3.96Å; W148-K152 HydrophobicContact CZ2-CD 4.4Å; W148-K152 HydrophobicContact CZ3-CD 4.15Å; W148-K152 WeakPolarHBondContact O-CB 2.99Å; W148-K152 PolarHBondContact O-N 3.38Å; E149-K152 PolarHBondContact O-N 2.81Å; K152-R154 PolarHBondContact O-N 3.03Å; K152-E155 PolarHBondContact O-N 3.37Å; K152-M156 WeakPolarHBondContact O-CB 3.5Å; K152-M156 WeakPolarHBondContact O-CG 3.36Å; K152-M156 PolarHBondContact O-N 2.86Å
153	R	70.9	Confident	69.7	Low	182 Å²	182	123 Å²	123	69%	0.687	54%	0.539	S	S	*	.	H	α-helix	trans	-63	-40	173.1	-75.9	-176.9	-176.8	-123.3	3.5	113.3	E149 Q151 A157	E149-R153 PolarHBondContact O-N 3.28Å; Q151-R153 VanDerWaalsContact C-N 3.34Å; Q151-R153 PolarHBondContact O-N 3.28Å; R153-A157 WeakPolarHBondContact O-CB 3.48Å; R153-A157 PolarHBondContact O-N 3.19Å
154	R	75.2	Confident	68.5	Low	144 Å²	144	123.2 Å²	123.2	54%	0.543	54%	0.542	S	S	.	.	H	α-helix	trans	-69.2	-34.8	176.7	-73.6	168.8	177.1	178.6	-1.5	112.3	R150 Q151 K152 R158	R150-R154 VanDerWaalsContact O-CG 3.26Å; R150-R154 WeakPolarHBondContact O-CG 3.34Å; R150-R154 PolarHBondContact O-N 3.45Å; Q151-R154 CarbonylContact O-C 3.55Å; Q151-R154 WeakPolarHBondContact O-CB 3.13Å; Q151-R154 PolarHBondContact O-N 3.3Å; Q151-R154 VanDerWaalsContact O-N 3.08Å; K152-R154 PolarHBondContact O-N 3.03Å; R154-R158 VanDerWaalsContact O-CG 3.29Å; R154-R158 WeakPolarHBondContact O-CG 3.45Å; R154-R158 PolarHBondContact O-N 3.26Å
155	E	71.7	Confident	67.5	Low	117 Å²	117	123.8 Å²	123.8	55%	0.547	54%	0.543	S	S	.	.	H	α-helix	trans	-71.4	-45.7	176.7	-169.9	173.2	-169.8	0	0	110.6	Q151 K152 A157 R158 E159	Q151-E155 WeakPolarHBondContact O-CB 3.26Å; Q151-E155 PolarHBondContact O-N 3.3Å; K152-E155 PolarHBondContact O-N 3.37Å; E155-A157 VanDerWaalsContact C-N 3.26Å; E155-A157 PolarHBondContact O-N 3.44Å; E155-R158 CarbonylContact O-C 3.55Å; E155-R158 PolarHBondContact O-N 2.91Å; E155-E159 WeakPolarHBondContact O-CB 3.48Å; E155-E159 PolarHBondContact O-N 3.23Å
156	M	73.8	Confident	66.3	Low	90 Å²	90	120.2 Å²	120.2	44%	0.443	54%	0.542	S	S	.	.	H	α-helix	trans	-55.7	-40.7	170.5	-69	-68.1	-66.3	0	0	111.5	K152 E159 H160	K152-M156 WeakPolarHBondContact O-CB 3.5Å; K152-M156 WeakPolarHBondContact O-CG 3.36Å; K152-M156 PolarHBondContact O-N 2.86Å; M156-E159 PolarHBondContact O-N 2.77Å; M156-H160 VanDerWaalsContact O-CB 3.31Å; M156-H160 WeakPolarHBondContact O-CB 3.47Å; M156-H160 PolarHBondContact O-CD2 2.86Å; M156-H160 VanDerWaalsContact O-CD2 3.3Å; M156-H160 PolarHBondContact O-N 3.08Å
157	A	65.8	Low	64.6	Low	62 Å²	62	117.7 Å²	117.7	51%	0.512	55%	0.546	S	S	.	.	H	α-helix	trans	-67.7	-37.4	175.8	0	0	0	0	0	113.2	R153 E155 S161	R153-A157 WeakPolarHBondContact O-CB 3.48Å; R153-A157 PolarHBondContact O-N 3.19Å; E155-A157 VanDerWaalsContact C-N 3.26Å; E155-A157 PolarHBondContact O-N 3.44Å; A157-S161 VanDerWaalsContact O-CB 3.29Å; A157-S161 WeakPolarHBondContact O-CB 3.37Å; A157-S161 PolarHBondContact O-N 3.44Å
158	R	66.7	Low	63.1	Low	154 Å²	154	116.9 Å²	116.9	58%	0.581	55%	0.549	S	S	*	.	H	α-helix	trans	-72.4	-34.2	174.8	-73.2	177.8	-170.7	121.7	-5.5	112.2	R154 E155 S161 R162	R154-R158 VanDerWaalsContact O-CG 3.29Å; R154-R158 WeakPolarHBondContact O-CG 3.45Å; R154-R158 PolarHBondContact O-N 3.26Å; E155-R158 CarbonylContact O-C 3.55Å; E155-R158 PolarHBondContact O-N 2.91Å; R158-S161 PolarHBondContact O-N 3Å; R158-R162 WeakPolarHBondContact O-CB 3.09Å; R158-R162 WeakPolarHBondContact O-CG 3.18Å; R158-R162 PolarHBondContact O-N 2.8Å
159	E	55.6	Low	61.5	Low	73 Å²	73	113.3 Å²	113.3	34%	0.341	55%	0.549	S	S	.	.	H	α-helix	trans	-71.2	-43.1	175.6	-168.6	-173.9	-169.3	0	0	110.7	E155 M156 S161 R162 R163	E155-E159 WeakPolarHBondContact O-CB 3.48Å; E155-E159 PolarHBondContact O-N 3.23Å; M156-E159 PolarHBondContact O-N 2.77Å; E159-S161 VanDerWaalsContact C-N 3.3Å; E159-S161 PolarHBondContact O-N 3.15Å; E159-R162 PolarHBondContact O-N 3.11Å; E159-R163 HydrophobicContact CG-CG 4.41Å; E159-R163 WeakPolarHBondContact O-CB 3.25Å; E159-R163 VanDerWaalsContact O-CG 3.3Å; E159-R163 WeakPolarHBondContact O-CG 3.2Å; E159-R163 PolarHBondContact O-N 2.61Å; E159-R163 IonicContact OE1-CZ 3.15Å; E159-R163 IonicContact OE1-NE 3.12Å; E159-R163 PolarHBondContact OE1-NE 2.87Å; E159-R163 VanDerWaalsContact OE1-NE 3.12Å; E159-R163 IonicContact OE1-NH2 2.63Å; E159-R163 PolarHBondContact OE1-NH2 3.29Å
160	H	61.2	Low	60.2	Low	103 Å²	103	113.2 Å²	113.2	48%	0.477	56%	0.558	S	S	.	*	H	α-helix	trans	-58.1	-43.4	168.7	-94	-85.8	0	0	0	111.2	M156 R162 R163 E164	M156-H160 VanDerWaalsContact O-CB 3.31Å; M156-H160 WeakPolarHBondContact O-CB 3.47Å; M156-H160 PolarHBondContact O-CD2 2.86Å; M156-H160 VanDerWaalsContact O-CD2 3.3Å; M156-H160 PolarHBondContact O-N 3.08Å; H160-R162 PolarHBondContact O-N 3.23Å; H160-R163 PolarHBondContact O-N 3.1Å; H160-E164 VanDerWaalsContact O-CB 3.26Å; H160-E164 WeakPolarHBondContact O-CB 3.37Å; H160-E164 VanDerWaalsContact O-CG 3.27Å; H160-E164 WeakPolarHBondContact O-CG 3.44Å; H160-E164 PolarHBondContact O-N 2.72Å
161	S	56.7	Low	58.8	Low	76 Å²	76	113.7 Å²	113.7	53%	0.531	57%	0.569	S	S	.	*	H	α-helix	trans	-65	-36	175.8	176.6	0	0	0	0	113.4	A157 R158 E159 S165	A157-S161 VanDerWaalsContact O-CB 3.29Å; A157-S161 WeakPolarHBondContact O-CB 3.37Å; A157-S161 PolarHBondContact O-N 3.44Å; R158-S161 PolarHBondContact O-N 3Å; E159-S161 VanDerWaalsContact C-N 3.3Å; E159-S161 PolarHBondContact O-N 3.15Å; S161-S165 WeakPolarHBondContact O-CB 3.2Å; S161-S165 PolarHBondContact O-N 2.84Å; S161-S165 PolarHBondContact O-OG 2.79Å
162	R	55.7	Low	57.3	Low	186 Å²	186	115.9 Å²	115.9	70%	0.702	59%	0.585	S	S	*	*	H	α-helix	trans	-72.6	-43.8	174.8	-77.1	-180	-177.5	-158.3	0.2	112.1	R158 E159 H160 E164 S165 V166	R158-R162 WeakPolarHBondContact O-CB 3.09Å; R158-R162 WeakPolarHBondContact O-CG 3.18Å; R158-R162 PolarHBondContact O-N 2.8Å; E159-R162 PolarHBondContact O-N 3.11Å; H160-R162 PolarHBondContact O-N 3.23Å; R162-E164 VanDerWaalsContact C-N 3.32Å; R162-S165 WeakPolarHBondContact CA-OG 3.37Å; R162-S165 PolarHBondContact O-N 3.4Å; R162-S165 PolarHBondContact O-OG 3.49Å; R162-V166 WeakPolarHBondContact O-CB 3.48Å; R162-V166 VanDerWaalsContact O-CG2 3.28Å; R162-V166 WeakPolarHBondContact O-CG2 2.92Å; R162-V166 PolarHBondContact O-N 3.36Å
163	R	51	Low	55.6	Low	151 Å²	151	119.6 Å²	119.6	57%	0.57	60%	0.604	S	S	*	*	H	α-helix	trans	-64.3	-38.5	175.8	-71.3	176.2	-178.1	-159.9	0.9	110.7	E159 H160 V166 C167	E159-R163 HydrophobicContact CG-CG 4.41Å; E159-R163 WeakPolarHBondContact O-CB 3.25Å; E159-R163 VanDerWaalsContact O-CG 3.3Å; E159-R163 WeakPolarHBondContact O-CG 3.2Å; E159-R163 PolarHBondContact O-N 2.61Å; E159-R163 IonicContact OE1-CZ 3.15Å; E159-R163 IonicContact OE1-NE 3.12Å; E159-R163 PolarHBondContact OE1-NE 2.87Å; E159-R163 VanDerWaalsContact OE1-NE 3.12Å; E159-R163 IonicContact OE1-NH2 2.63Å; E159-R163 PolarHBondContact OE1-NH2 3.29Å; H160-R163 PolarHBondContact O-N 3.1Å; R163-V166 PolarHBondContact O-N 3.26Å; R163-C167 VanDerWaalsContact O-CB 3.23Å; R163-C167 WeakPolarHBondContact O-CB 3.29Å; R163-C167 PolarHBondContact O-N 2.84Å; R163-C167 PolarHBondContact O-SG 2.74Å
164	E	48.1	Very low	54.5	Low	121 Å²	121	121.6 Å²	121.6	57%	0.565	61%	0.611	S	S	*	*	H	α-helix	trans	-65.8	-41.4	171.4	-75.1	178.7	-178.1	0	0	111.5	H160 R162 V166 C167 T168	H160-E164 VanDerWaalsContact O-CB 3.26Å; H160-E164 WeakPolarHBondContact O-CB 3.37Å; H160-E164 VanDerWaalsContact O-CG 3.27Å; H160-E164 WeakPolarHBondContact O-CG 3.44Å; H160-E164 PolarHBondContact O-N 2.72Å; R162-E164 VanDerWaalsContact C-N 3.32Å; E164-V166 VanDerWaalsContact C-N 3.28Å; E164-V166 PolarHBondContact O-N 3.06Å; E164-C167 PolarHBondContact O-N 3.04Å; E164-T168 WeakPolarHBondContact O-CB 3.16Å; E164-T168 VanDerWaalsContact O-CG2 3.3Å; E164-T168 WeakPolarHBondContact O-CG2 3.15Å; E164-T168 PolarHBondContact O-N 2.98Å; E164-T168 PolarHBondContact O-OG1 3.43Å
165	S	47.6	Very low	52.8	Low	70 Å²	70	118 Å²	118	49%	0.49	62%	0.619	S	S	.	*	H	α-helix	trans	-66.8	-25.7	174	70	0	0	0	0	114.7	S161 R162	S161-S165 WeakPolarHBondContact O-CB 3.2Å; S161-S165 PolarHBondContact O-N 2.84Å; S161-S165 PolarHBondContact O-OG 2.79Å; R162-S165 WeakPolarHBondContact CA-OG 3.37Å; R162-S165 PolarHBondContact O-N 3.4Å; R162-S165 PolarHBondContact O-OG 3.49Å
166	V	48.6	Very low	51.7	Low	113 Å²	113	121 Å²	121	69%	0.685	64%	0.638	S	S	*	*	H	α-helix	trans	-84.4	-28.4	175.7	170.1	0	0	0	0	110.9	R162 R163 E164	R162-V166 WeakPolarHBondContact O-CB 3.48Å; R162-V166 VanDerWaalsContact O-CG2 3.28Å; R162-V166 WeakPolarHBondContact O-CG2 2.92Å; R162-V166 PolarHBondContact O-N 3.36Å; R163-V166 PolarHBondContact O-N 3.26Å; E164-V166 VanDerWaalsContact C-N 3.28Å; E164-V166 PolarHBondContact O-N 3.06Å
167	C	34.8	Very low	50.2	Low	96 Å²	96	125.1 Å²	125.1	65%	0.649	66%	0.656	S	S	*	*	H	α-helix	trans	-97.2	-13.7	-179.7	-66.6	0	0	0	0	114.6	R163 E164 S169	R163-C167 VanDerWaalsContact O-CB 3.23Å; R163-C167 WeakPolarHBondContact O-CB 3.29Å; R163-C167 PolarHBondContact O-N 2.84Å; R163-C167 PolarHBondContact O-SG 2.74Å; E164-C167 PolarHBondContact O-N 3.04Å; C167-S169 VanDerWaalsContact C-N 3.3Å; C167-S169 PolarHBondContact O-N 2.79Å
168	T	45.4	Very low	49.1	Very low	104 Å²	104	133.5 Å²	133.5	64%	0.638	67%	0.674	S	S	*	*	S	Bend	trans	-87.9	14.1	174.1	54.1	0	0	0	0	114.2	E164	E164-T168 WeakPolarHBondContact O-CB 3.16Å; E164-T168 VanDerWaalsContact O-CG2 3.3Å; E164-T168 WeakPolarHBondContact O-CG2 3.15Å; E164-T168 PolarHBondContact O-N 2.98Å; E164-T168 PolarHBondContact O-OG1 3.43Å
169	S	45	Very low	47.8	Very low	90 Å²	90	135.4 Å²	135.4	63%	0.629	69%	0.69	S	S	*	*			trans	-123.2	82.9	167.4	-59.4	0	0	0	0	109.8	C167	C167-S169 VanDerWaalsContact C-N 3.3Å; C167-S169 PolarHBondContact O-N 2.79Å
170	P	51.2	Low	47.4	Very low	100 Å²	100	136.7 Å²	136.7	65%	0.649	71%	0.707	S	S	*	*	S	Bend		-147.3	85	120.5	33.8	-15.5	0	0	0	110.7
171	N	47.1	Very low	46.4	Very low	131 Å²	131	141 Å²	141	70%	0.701	73%	0.728	S	S	*	*			trans	-173	46.9	161.2	-99.2	-50.1	0	0	0	114.4
172	D	48.4	Very low	45.7	Very low	161 Å²	161	142.4 Å²	142.4	86%	0.861	74%	0.737	S	S	*	*			trans	-109.1	43.5	167.3	-80.4	-47.6	0	0	0	112.1
173	E	47.1	Very low	44.9	Very low	187 Å²	187	142.1 Å²	142.1	87%	0.874	74%	0.743	S	S	*	*	S	Bend	trans	-120	24.5	179.2	-73.8	-102.4	126	0	0	112.9
174	R	47.8	Very low	45.1	Very low	224 Å²	224	139.6 Å²	139.6	85%	0.845	75%	0.747	S	S	*	*	S	Bend	trans	-134.5	19.7	176.3	-79.1	-166	-76.4	-128.7	-5.3	115.8
175	G	40.6	Very low	44.6	Very low	68 Å²	68	141.7 Å²	141.7	70%	0.701	76%	0.761	S	S	*	*	S	Bend	trans	-104.1	-16.9	-178.9	0	0	0	0	0	116.4
176	L	47.4	Very low	44.1	Very low	181 Å²	181	146.8 Å²	146.8	95%	0.948	78%	0.777	S	S	*	*	S	Bend	trans	-113.7	28.7	-165.6	-66.4	176.8	0	0	0	114.8
177	Q	42.9	Very low	43.6	Very low	177 Å²	177	146.9 Å²	146.9	83%	0.827	78%	0.783	S	S	*	*			trans	-127.7	56.3	173.2	-154.6	153.5	35.4	0	0	111.3
178	R	42.7	Very low	43.8	Very low	238 Å²	238	151 Å²	151	90%	0.898	79%	0.793	S	S	*	*			trans	-140.5	40	164.8	-72	-169	-175	-96.3	0.3	111.1
179	Q	38.9	Very low	44.4	Very low	193 Å²	193	151.3 Å²	151.3	90%	0.902	80%	0.796	S	S	*	*	S	Bend	trans	-136.1	62.9	168.8	-67.9	-157	19.7	0	0	110.2
180	S	47.2	Very low	43.7	Very low	101 Å²	101	151.6 Å²	151.6	71%	0.706	80%	0.804	S	S	*	*			trans	-172.5	86.3	161.8	53.7	0	0	0	0	108.9
181	E	40.4	Very low	42.8	Very low	194 Å²	194	152.2 Å²	152.2	91%	0.907	81%	0.81	S	S	*	*			trans	-173.9	92.5	145.4	-102.7	162.8	-168.8	0	0	109.7
182	S	41	Very low	42.2	Very low	104 Å²	104	150.5 Å²	150.5	73%	0.727	82%	0.815	S	S	*	*			trans	-33.9	135.7	146.3	54.5	0	0	0	0	112.8
183	Q	41	Very low	41.3	Very low	180 Å²	180	147.4 Å²	147.4	84%	0.841	81%	0.811	S	S	*	*				176.6	170.3	69.8	-94.2	-128	-10.3	0	0	111.9
184	P	53.2	Low	40.7	Very low	98 Å²	98	143.3 Å²	143.3	64%	0.636	81%	0.809	S	S	*	*			trans	-100.9	149.1	-160.7	37.5	-29.3	0	0	0	113.8
185	L	37.9	Very low	39.9	Very low	166 Å²	166	136.5 Å²	136.5	87%	0.869	81%	0.809	S	S	*	*			trans	-146.9	130.6	159.7	-74.7	177.8	0	0	0	111.7
186	E	38.4	Very low	39.7	Very low	177 Å²	177	137.9 Å²	137.9	83%	0.827	81%	0.814	S	S	*	*			trans	3.2	139.2	151.3	-65.6	-175.8	119.6	0	0	117.6
187	S	37.8	Very low	39.3	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	81%	0.805	S	S	*	*			cis	177.5	151.1	46.1	29.6	0	0	0	0	107.5
188	Q	39.1	Very low	38.9	Very low	183 Å²	183	137.7 Å²	137.7	86%	0.855	81%	0.807	S	S	*	*			trans	-78.8	-175.9	167.3	-59.7	-161.5	10.2	0	0	110.7
189	P	56.6	Low	38.9	Very low	110 Å²	110	133 Å²	133	71%	0.714	80%	0.804	S	S	*	*			cis	-147.7	-171.8	7.8	39.2	-15.7	0	0	0	117.9
190	A	30.7	Very low	38.7	Very low	96 Å²	96	127.5 Å²	127.5	79%	0.793	80%	0.8	S	S	*	*			trans	83.6	139.8	156.6	0	0	0	0	0	115.8
191	S	33.5	Very low	38.3	Very low	112 Å²	112	134.5 Å²	134.5	78%	0.783	81%	0.811	S	S	*	*			cis	-163.1	155.5	20.7	46.3	0	0	0	0	111
192	A	32.8	Very low	38.1	Very low	96 Å²	96	136 Å²	136	79%	0.793	81%	0.808	S	S	*	*			trans	18.3	129.3	146	0	0	0	0	0	120.3
193	A	31.2	Very low	38.4	Very low	95 Å²	95	136.5 Å²	136.5	79%	0.785	81%	0.809	S	S	*	*				150.5	147	100.5	0	0	0	0	0	113.8
194	A	33.3	Very low	38.2	Very low	101 Å²	101	136.1 Å²	136.1	84%	0.835	81%	0.807	S	S	*	*			trans	72.5	105.4	150.2	0	0	0	0	0	118.3
195	G	32.3	Very low	37.4	Very low	82 Å²	82	135.6 Å²	135.6	85%	0.845	81%	0.811	S	S	*	*			trans	-71.9	160	161.8	0	0	0	0	0	113.3
196	A	35.6	Very low	37.4	Very low	97 Å²	97	132.8 Å²	132.8	80%	0.802	81%	0.805	S	S	*	*			trans	-169.5	102.2	148.9	0	0	0	0	0	110.3
197	V	39.3	Very low	37.6	Very low	125 Å²	125	133.4 Å²	133.4	76%	0.758	81%	0.805	S	S	*	*			trans	27.9	115.1	132.9	-173	0	0	0	0	118.4
198	R	34.2	Very low	37.6	Very low	229 Å²	229	139.5 Å²	139.5	86%	0.864	81%	0.81	S	S	*	*				-180	113.8	115.7	-102	170	-107.5	-138.7	0.8	114.8
199	V	41.9	Very low	37.8	Very low	138 Å²	138	141.5 Å²	141.5	84%	0.836	81%	0.81	S	S	*	*			trans	45.2	90.9	134.1	-163.9	0	0	0	0	118.2
200	G	35.3	Very low	37.1	Very low	79 Å²	79	145.1 Å²	145.1	81%	0.814	82%	0.817	S	S	*	*			trans	-104.5	111.5	160.4	0	0	0	0	0	111
201	R	38.4	Very low	37.4	Very low	248 Å²	248	147.6 Å²	147.6	94%	0.936	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-64	130.9	179.7	-147.9	175.9	-174.2	-145.2	3	110.6
202	R	35.7	Very low	37.6	Very low	226 Å²	226	145.3 Å²	145.3	85%	0.853	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-64.5	151.9	174.8	-88.3	-179.4	148.8	-160	-5	112.8
203	P	48.9	Very low	38	Very low	114 Å²	114	152.5 Å²	152.5	74%	0.74	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-93	146.4	177.4	36.7	-30.2	0	0	0	111.2
204	E	36.6	Very low	38.6	Very low	172 Å²	172	158.3 Å²	158.3	80%	0.804	83%	0.825	S	S	*	*			trans	-135.5	116.9	168	-82.2	-61.5	155.1	0	0	112.3
205	A	36.5	Very low	38.8	Very low	87 Å²	87	156.4 Å²	156.4	72%	0.719	82%	0.816	S	S	*	*			trans	49.2	110.3	134.7	0	0	0	0	0	121.9
206	S	37.3	Very low	39.3	Very low	106 Å²	106	158.5 Å²	158.5	74%	0.741	81%	0.814	S	S	*	*			trans	-38.2	153.7	145.9	-154.6	0	0	0	0	117.5
207	K	42.6	Very low	39.5	Very low	191 Å²	191	158.4 Å²	158.4	83%	0.83	81%	0.814	S	S	*	*			trans	88.9	106.1	155.7	-56.4	176.1	-177	171.5	0	118.3
208	R	37.4	Very low	39.6	Very low	242 Å²	242	158.2 Å²	158.2	91%	0.913	81%	0.813	S	S	*	*				-175.9	137.2	102.1	-111.9	173.3	167.1	-104	3	112.2
209	R	44.4	Very low	39.9	Very low	225 Å²	225	158.4 Å²	158.4	85%	0.849	81%	0.813	S	S	*	*			trans	-60.3	133.1	166.7	-73.5	166.6	143.9	-162	-4.8	110.3
210	E	42.1	Very low	39.8	Very low	186 Å²	186	159.4 Å²	159.4	87%	0.869	81%	0.813	S	S	*	*			trans	-135.5	93.5	159.6	-146.8	-177.8	151.6	0	0	109.4	G212	E210-G212 PolarHBondContact O-N 2.78Å
211	N	36.6	Very low	40.4	Very low	148 Å²	148	162 Å²	162	79%	0.791	81%	0.813	S	S	*	*			trans	-85.4	87.6	167.6	-75.8	-30.8	0	0	0	107.9	R213	N211-R213 PolarHBondContact O-N 2.95Å; N211-R213 VanDerWaalsContact O-N 3.16Å
212	G	36.8	Very low	40.3	Very low	64 Å²	64	153.5 Å²	153.5	66%	0.66	80%	0.803	S	S	*	*			trans	-72.7	97.8	172.5	0	0	0	0	0	111.4	E210 K214	E210-G212 PolarHBondContact O-N 2.78Å; G212-K214 PolarHBondContact O-N 3.48Å
213	R	42.4	Very low	40.8	Very low	248 Å²	248	151.9 Å²	151.9	94%	0.936	81%	0.805	S	S	*	*			trans	-63.1	110.7	163.9	-71.5	179.6	174.8	-164.9	-1.4	108.9	N211	N211-R213 PolarHBondContact O-N 2.95Å; N211-R213 VanDerWaalsContact O-N 3.16Å
214	K	42.7	Very low	40.8	Very low	216 Å²	216	155.2 Å²	155.2	94%	0.939	81%	0.811	S	S	*	*			trans	-90	96.4	164.5	-69.2	-172.2	179.3	-176.6	0	108.9	G212	G212-K214 PolarHBondContact O-N 3.48Å
215	G	37.7	Very low	41.1	Very low	61 Å²	61	158 Å²	158	63%	0.629	81%	0.813	S	S	*	*			trans	-100	149.5	162.9	0	0	0	0	0	110.1	A217	G215-A217 PolarHBondContact O-N 3.07Å
216	P	43.7	Very low	41.1	Very low	126 Å²	126	163.4 Å²	163.4	82%	0.818	82%	0.824	S	S	*	*			trans	-71.9	125.8	-178.6	28.7	-32.6	0	0	0	111	V218	P216-V218 PolarHBondContact O-N 2.9Å; P216-V218 VanDerWaalsContact O-N 3.15Å
217	A	38.9	Very low	41.7	Very low	96 Å²	96	170 Å²	170	79%	0.793	83%	0.833	S	S	*	*			trans	-68.6	104.7	174.9	0	0	0	0	0	110.7	G215 R219	G215-A217 PolarHBondContact O-N 3.07Å; A217-R219 PolarHBondContact O-N 2.75Å
218	V	41.9	Very low	41.8	Very low	120 Å²	120	169.7 Å²	169.7	73%	0.727	83%	0.834	S	S	*	*			trans	-80	107.2	165	-177.7	0	0	0	0	107.2	P216 L220	P216-V218 PolarHBondContact O-N 2.9Å; P216-V218 VanDerWaalsContact O-N 3.15Å; V218-L220 HydrophobicContact CG1-CD2 4.39Å; V218-L220 HydrophobicContact CG1-CG 4.46Å; V218-L220 PolarHBondContact O-N 3.39Å
219	R	39.3	Very low	42.3	Very low	233 Å²	233	167 Å²	167	88%	0.879	83%	0.832	S	S	*	*			trans	-73.5	104.6	169.6	-64	-174.1	-163.5	-158.3	4.1	108.2	A217	A217-R219 PolarHBondContact O-N 2.75Å
220	L	41.3	Very low	42.5	Very low	160 Å²	160	163.7 Å²	163.7	84%	0.838	83%	0.831	S	S	*	*			trans	-83.1	104.7	165.2	-68.7	172.1	0	0	0	108.2	V218	V218-L220 HydrophobicContact CG1-CD2 4.39Å; V218-L220 HydrophobicContact CG1-CG 4.46Å; V218-L220 PolarHBondContact O-N 3.39Å
221	T	46.8	Very low	42.8	Very low	132 Å²	132	163.3 Å²	163.3	81%	0.81	83%	0.829	S	S	*	*			trans	-130.2	117.2	164.4	52.3	0	0	0	0	107.9
222	G	36.4	Very low	43.7	Very low	70 Å²	70	164.7 Å²	164.7	72%	0.722	84%	0.836	S	S	*	*			trans	131	57.1	170.4	0	0	0	0	0	115.2
223	H	47.1	Very low	44.2	Very low	192 Å²	192	164.9 Å²	164.9	89%	0.889	84%	0.838	S	S	*	*			trans	-130.1	70.3	155.3	-105.3	57.2	0	0	0	108.1
224	Q	47.7	Very low	44.7	Very low	185 Å²	185	164.2 Å²	164.2	86%	0.864	84%	0.835	S	S	*	*	S	Bend	trans	-156.7	127.3	163.4	-145.3	87.7	44.8	0	0	107.8
225	R	44.5	Very low	45.1	Very low	229 Å²	229	160.2 Å²	160.2	86%	0.864	83%	0.829	S	S	*	*			trans	80.2	75.1	178.1	-66.2	179.4	132.6	-166.2	-3.5	117.7
226	Q	36.7	Very low	45.7	Very low	202 Å²	202	165.1 Å²	165.1	94%	0.944	84%	0.84	S	S	*	*				-143.6	78.4	128.3	-72.4	-166	-23	0	0	107.7
227	R	48	Very low	46	Very low	243 Å²	243	166.4 Å²	166.4	92%	0.917	85%	0.845	S	S	*	*			trans	-136.3	56.1	170.1	-96.5	-163.1	-174.6	-122	2.9	107.9
228	E	45.1	Very low	46.6	Very low	185 Å²	185	167.8 Å²	167.8	86%	0.864	85%	0.848	S	S	*	*	S	Bend	trans	-151.3	31.9	169.1	-73.9	-158.2	159.9	0	0	113.1
229	E	48.7	Very low	46.9	Very low	186 Å²	186	165.5 Å²	165.5	87%	0.869	85%	0.849	S	S	*	*	S	Bend	trans	-123.2	7.4	171.1	-67.5	-162.4	170.8	0	0	114.7
230	D	48.3	Very low	47.3	Very low	156 Å²	156	162.9 Å²	162.9	83%	0.834	85%	0.851	S	S	*	*	S	Bend	trans	-96.9	11.5	176.7	-78.7	-25.5	0	0	0	114.4
231	Q	49	Very low	47.6	Very low	177 Å²	177	166.4 Å²	166.4	83%	0.827	85%	0.853	S	S	*	*	S	Bend	trans	-107.7	1.9	179.1	-67.4	-147.3	91	0	0	115.6
232	L	54	Low	47.4	Very low	178 Å²	178	167.3 Å²	167.3	93%	0.932	85%	0.852	S	S	*	*	S	Bend	trans	-112.7	10.3	175	-63	178.8	0	0	0	114.2
233	G	48.4	Very low	47.8	Very low	68 Å²	68	174.5 Å²	174.5	70%	0.701	86%	0.858	S	S	*	*	S	Bend	trans	-110.4	8.9	-178.7	0	0	0	0	0	116.2
234	R	52.6	Low	47.7	Very low	234 Å²	234	179 Å²	179	88%	0.883	88%	0.875	S	S	*	*	S	Bend	trans	-126.3	21.2	-174.2	-75.8	-169.4	-173.5	-129.9	1.9	116.2
235	V	50.9	Low	47.7	Very low	131 Å²	131	178.7 Å²	178.7	79%	0.794	88%	0.875	S	S	*	*	S	Bend	trans	-126.2	9.7	177.4	-170.1	0	0	0	0	113.6
236	L	51.1	Low	47.9	Very low	165 Å²	165	176 Å²	176	86%	0.864	88%	0.876	S	S	*	*	S	Bend	trans	-136.7	36.2	-175.9	-75.8	172.9	0	0	0	116.1
237	V	49.2	Very low	48.5	Very low	152 Å²	152	174.6 Å²	174.6	92%	0.921	87%	0.872	S	S	*	*	S	Bend	trans	-150.9	47.6	154	-157.1	0	0	0	0	111.8
238	S	51	Low	48.6	Very low	125 Å²	125	170.5 Å²	170.5	87%	0.874	87%	0.869	S	S	*	*	S	Bend	trans	-142.2	70.3	166.5	172.8	0	0	0	0	108.7
239	G	49.2	Very low	48.8	Very low	72 Å²	72	169.6 Å²	169.6	74%	0.742	87%	0.87	S	S	*	*			trans	172.1	44	-176.8	0	0	0	0	0	115.6
240	I	48	Very low	48.8	Very low	178 Å²	178	168.5 Å²	168.5	91%	0.913	87%	0.87	S	S	*	*			trans	-128.1	77.8	157.8	-54.1	178	0	0	0	107.8
241	R	46	Very low	48.8	Very low	235 Å²	235	169.4 Å²	169.4	89%	0.887	87%	0.872	S	S	*	*			trans	-137.5	94.3	155.9	-160.1	-177.8	-150.8	-165.8	6.1	104.6
242	L	44	Very low	48.8	Very low	151 Å²	151	168.8 Å²	168.8	79%	0.791	88%	0.876	S	S	*	*			trans	-176.6	118.5	151.4	-118.6	84.8	0	0	0	109.9
243	R	43.8	Very low	48.4	Very low	221 Å²	221	168.1 Å²	168.1	83%	0.834	87%	0.871	S	S	*	*			trans	48.4	112.2	141.9	-60.4	-176.9	-172.9	-175.5	2.5	118.7
244	F	46.2	Very low	48.4	Very low	285 Å²	285	177.2 Å²	177.2	100%	1.25	89%	0.887	S	S	*	*				-162	0	103.3	-113.2	-85.2	0	0	0	109.2

Retrieved 244 of 244 residues in 122.6 ms (Link to these results)

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