A0A077YX95_TRITR Loading...

Kinesin

AlphaFold DB , UniProt , Accession A0A077YX95, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 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	41.8	Very low	42.9	Very low	241 Å²	241	143.6 Å²	143.6	100%	1.187	82%	0.818	S	S	*	*				0	107	0	-74	172.5	170.6	0	0	106.6
2	I	38.1	Very low	42.7	Very low	161 Å²	161	145 Å²	145	83%	0.826	82%	0.822	S	S	*	*			trans	-105.1	112	176.3	-60.9	166.8	0	0	0	104.8
3	T	46.5	Very low	42.6	Very low	130 Å²	130	142.8 Å²	142.8	80%	0.798	82%	0.821	S	S	*	*			trans	-122.1	99	166.7	48.6	0	0	0	0	106.5
4	S	42.3	Very low	42.7	Very low	96 Å²	96	140.6 Å²	140.6	67%	0.671	81%	0.805	S	S	*	*			trans	-61.1	132.3	165	-52.7	0	0	0	0	108.9
5	S	48.7	Very low	42.7	Very low	110 Å²	110	140.7 Å²	140.7	77%	0.769	81%	0.809	S	S	*	*			trans	-133.1	77.5	159.8	-58.4	0	0	0	0	106.4
6	E	40.7	Very low	42.9	Very low	175 Å²	175	138.2 Å²	138.2	82%	0.818	80%	0.797	S	S	*	*			trans	-68.8	122.7	150.9	-76.8	170	124.6	0	0	106
7	S	45.5	Very low	42.8	Very low	107 Å²	107	137.7 Å²	137.7	75%	0.748	79%	0.791	S	S	*	*			trans	-141.7	80.3	168.6	-65.1	0	0	0	0	106.8
8	D	40.9	Very low	43	Very low	137 Å²	137	140.7 Å²	140.7	73%	0.733	80%	0.799	S	S	*	*				42.5	97.4	126.9	-58.3	-36.9	0	0	0	116.8	E10	D8-E10 PolarHBondContact O-N 3.22Å
9	S	44	Very low	42.9	Very low	128 Å²	128	141.6 Å²	141.6	90%	0.895	80%	0.796	S	S	*	*			trans	-62.3	86.5	157.7	48.8	0	0	0	0	111.3
10	E	42.3	Very low	42.8	Very low	172 Å²	172	141.6 Å²	141.6	80%	0.804	79%	0.794	S	S	*	*			trans	-96.3	102.4	163.9	-71.2	-171.4	136.2	0	0	109.3	D8	D8-E10 PolarHBondContact O-N 3.22Å
11	T	41.1	Very low	42.8	Very low	123 Å²	123	139.6 Å²	139.6	76%	0.755	80%	0.796	S	S	*	*			trans	-175.2	92.1	153.8	19.7	0	0	0	0	108.3
12	N	40.3	Very low	42.7	Very low	160 Å²	160	133.6 Å²	133.6	86%	0.856	77%	0.772	S	S	*	*			trans	-153.9	61.7	151.5	-91.5	-35.6	0	0	0	108.2	D14	N12-D14 PolarHBondContact O-N 2.9Å
13	S	41.2	Very low	43.1	Very low	116 Å²	116	131.3 Å²	131.3	81%	0.811	77%	0.77	S	S	*	*			trans	-73.2	76	156.8	56	0	0	0	0	108.1
14	D	44.2	Very low	42.8	Very low	113 Å²	113	130.3 Å²	130.3	60%	0.604	76%	0.764	S	S	*	*			trans	-128.6	46.6	168.5	-157.1	0.7	0	0	0	109	N12 T16	N12-D14 PolarHBondContact O-N 2.9Å; D14-T16 PolarHBondContact O-N 3.23Å; D14-T16 VanDerWaalsContact OD1-CG2 3.23Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.39Å; D14-T16 PolarHBondContact OD1-OG1 3.3Å
15	V	43.7	Very low	42.7	Very low	142 Å²	142	130.3 Å²	130.3	86%	0.861	77%	0.77	S	S	*	*			trans	-84.9	69	159.2	-168.9	0	0	0	0	105.4	D17	V15-D17 PolarHBondContact O-N 3.43Å
16	T	44.7	Very low	42.5	Very low	100 Å²	100	133.8 Å²	133.8	61%	0.613	77%	0.766	S	S	*	*			trans	-59.5	105.1	171.2	14.5	0	0	0	0	107.7	D14 M18	D14-T16 PolarHBondContact O-N 3.23Å; D14-T16 VanDerWaalsContact OD1-CG2 3.23Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.39Å; D14-T16 PolarHBondContact OD1-OG1 3.3Å; T16-M18 PolarHBondContact O-N 2.91Å
17	D	42.2	Very low	42.7	Very low	130 Å²	130	130.6 Å²	130.6	70%	0.695	76%	0.76	S	S	*	*			trans	20.8	79.5	142.6	-66	-38.7	0	0	0	114	V15 E19	V15-D17 PolarHBondContact O-N 3.43Å; D17-E19 HydrophobicContact CB-CG 4.08Å; D17-E19 PolarHBondContact O-N 3.17Å
18	M	45.7	Very low	43.1	Very low	191 Å²	191	130.4 Å²	130.4	94%	0.941	76%	0.755	S	S	*	*			trans	-68.5	57.1	151.5	-94	175.5	50.7	0	0	108.2	T16 N20	T16-M18 PolarHBondContact O-N 2.91Å; M18-N20 PolarHBondContact O-N 3.28Å
19	E	41.6	Very low	43.8	Very low	158 Å²	158	129.7 Å²	129.7	74%	0.738	75%	0.745	S	S	*	*			trans	-64.5	105.6	169.5	-86.9	-172.7	152.5	0	0	107.4	D17 A21	D17-E19 HydrophobicContact CB-CG 4.08Å; D17-E19 PolarHBondContact O-N 3.17Å; E19-A21 PolarHBondContact O-N 3.06Å; E19-A21 VanDerWaalsContact O-N 3.15Å
20	N	41.6	Very low	44.6	Very low	141 Å²	141	135.2 Å²	135.2	75%	0.754	75%	0.747	S	S	*	*			trans	32.9	78.3	145.8	-70.7	-21.9	0	0	0	113.4	M18 V22	M18-N20 PolarHBondContact O-N 3.28Å; N20-V22 HydrophobicContact CB-CG2 4.48Å; N20-V22 PolarHBondContact O-N 3.46Å
21	A	42.7	Very low	45.8	Very low	101 Å²	101	129.3 Å²	129.3	84%	0.835	72%	0.717	S	S	*	*			trans	-60.6	85.7	154.5	0	0	0	0	0	106.7	E19 S23	E19-A21 PolarHBondContact O-N 3.06Å; E19-A21 VanDerWaalsContact O-N 3.15Å; A21-S23 PolarHBondContact O-N 3.49Å
22	V	39.9	Very low	47.4	Very low	115 Å²	115	129.8 Å²	129.8	70%	0.697	71%	0.71	S	S	*	*			trans	-56.4	99.8	169.5	175	0	0	0	0	104.2	N20 V24	N20-V22 HydrophobicContact CB-CG2 4.48Å; N20-V22 PolarHBondContact O-N 3.46Å; V22-V24 HydrophobicContact CG1-CG2 4.2Å; V22-V24 PolarHBondContact O-N 3.21Å
23	S	45.9	Very low	49.3	Very low	112 Å²	112	124.3 Å²	124.3	78%	0.783	68%	0.681	S	S	*	*			trans	-66.8	86.9	171.2	57.1	0	0	0	0	105.2	A21 A25	A21-S23 PolarHBondContact O-N 3.49Å; S23-A25 VanDerWaalsContact C-N 3.31Å; S23-A25 PolarHBondContact O-N 3.09Å
24	V	39	Very low	51.1	Low	110 Å²	110	122.4 Å²	122.4	67%	0.667	67%	0.666	S	S	*	*			trans	-57.1	105.2	169.8	178.7	0	0	0	0	104.4	V22 R26	V22-V24 HydrophobicContact CG1-CG2 4.2Å; V22-V24 PolarHBondContact O-N 3.21Å; V24-R26 PolarHBondContact O-N 2.93Å
25	A	41.4	Very low	52.7	Low	95 Å²	95	119.3 Å²	119.3	79%	0.785	66%	0.656	S	S	*	*			trans	-60.3	93.3	174.3	0	0	0	0	0	106.1	S23	S23-A25 VanDerWaalsContact C-N 3.31Å; S23-A25 PolarHBondContact O-N 3.09Å
26	R	44.1	Very low	54.4	Low	184 Å²	184	113 Å²	113	69%	0.694	62%	0.617	S	S	*	*			trans	-62.3	132.2	179.7	-71.5	-176.2	179.9	-173.8	0.2	106.1	V24 T28	V24-R26 PolarHBondContact O-N 2.93Å; R26-T28 PolarHBondContact O-N 3.34Å
27	P	45.6	Very low	56.2	Low	107 Å²	107	111.5 Å²	111.5	70%	0.695	61%	0.605	S	S	*	*			trans	-52.5	123	177.2	18.8	-29	0	0	0	107.6	K29	P27-K29 PolarHBondContact O-N 3.46Å
28	T	52.4	Low	58	Low	104 Å²	104	109.2 Å²	109.2	64%	0.638	60%	0.595	S	S	*	*			trans	-62.7	89.7	175.5	34.1	0	0	0	0	106.8	R26 R30	R26-T28 PolarHBondContact O-N 3.34Å; T28-R30 PolarHBondContact O-N 3.13Å
29	K	56.3	Low	59.5	Low	122 Å²	122	106.3 Å²	106.3	53%	0.53	57%	0.574	S	S	.	*			trans	-60	115.7	174.8	-73.7	-178.5	-177.8	175.5	0	106	P27 Y31 D62	P27-K29 PolarHBondContact O-N 3.46Å; K29-Y31 HydrophobicContact CB-CD2 4.41Å; K29-Y31 HydrophobicContact CB-CE2 3.74Å; K29-Y31 WeakPolarHBondContact CD-OH 3.46Å; K29-Y31 WeakPolarHBondContact O-CD2 3.49Å; K29-Y31 WeakPolarHBondContact O-CE2 3.46Å; K29-Y31 PolarHBondContact O-N 3.3Å; K29-D62 IonicContact NZ-OD2 3.69Å
30	R	60.8	Low	61.3	Low	244 Å²	244	99.2 Å²	99.2	92%	0.921	54%	0.541	S	S	*	.			trans	-71.9	98.9	171.8	-71.5	-171.8	-179.4	-170.2	0.9	107.1	T28	T28-R30 PolarHBondContact O-N 3.13Å
31	Y	67.4	Low	63.1	Low	47 Å²	47	97.2 Å²	97.2	18%	0.184	53%	0.53	C	S	.	.			trans	-68.8	135.4	172.2	-70.6	-83.7	0	0	0	109.3	K29 I33 A57 D62 P63	K29-Y31 HydrophobicContact CB-CD2 4.41Å; K29-Y31 HydrophobicContact CB-CE2 3.74Å; K29-Y31 WeakPolarHBondContact CD-OH 3.46Å; K29-Y31 WeakPolarHBondContact O-CD2 3.49Å; K29-Y31 WeakPolarHBondContact O-CE2 3.46Å; K29-Y31 PolarHBondContact O-N 3.3Å; Y31-I33 VanDerWaalsContact C-N 3.27Å; Y31-I33 PolarHBondContact O-N 2.88Å; Y31-A57 HydrophobicContact CD2-CB 4.28Å; Y31-A57 HydrophobicContact CG-CB 4.42Å; Y31-D62 WeakPolarHBondContact OH-CA 3.41Å; Y31-D62 WeakPolarHBondContact OH-CB 3.46Å; Y31-D62 PolarHBondContact OH-OD1 3.12Å; Y31-D62 PolarHBondContact OH-OD2 2.96Å; Y31-P63 HydrophobicContact CD1-CG 4.21Å; Y31-P63 HydrophobicContact CE1-CG 4.04Å
32	H	75.3	Confident	64.8	Low	133 Å²	133	100.4 Å²	100.4	62%	0.616	53%	0.525	S	S	*	.			trans	-70.7	89.9	169.2	-170.4	-94.5	0	0	0	108.5	P34 A35 L36	H32-P34 VanDerWaalsContact C-CD 3.42Å; H32-P34 VanDerWaalsContact C-N 3.31Å; H32-A35 HydrophobicContact CB-CB 4.26Å; H32-A35 WeakPolarHBondContact ND1-CB 3.33Å; H32-A35 PolarHBondContact ND1-N 3.41Å; H32-A35 WeakPolarHBondContact O-CB 3.22Å; H32-A35 PolarHBondContact O-N 2.99Å; H32-L36 PolarHBondContact O-N 3.22Å; H32-L36 VanDerWaalsContact O-N 3.11Å
33	I	78.8	Confident	66.5	Low	45 Å²	45	99.2 Å²	99.2	23%	0.231	52%	0.515	C	S	.	.	H	α-helix	trans	-50.8	-42.7	-172.6	-57.8	-59.7	0	0	0	112.8	Y31 A35 L36 I37 L54 A57 K58	Y31-I33 VanDerWaalsContact C-N 3.27Å; Y31-I33 PolarHBondContact O-N 2.88Å; I33-A35 VanDerWaalsContact C-N 3.29Å; I33-A35 PolarHBondContact O-N 2.81Å; I33-L36 WeakPolarHBondContact O-CB 3.46Å; I33-L36 PolarHBondContact O-N 3.09Å; I33-L36 VanDerWaalsContact O-N 3.13Å; I33-I37 HydrophobicContact CG2-CD1 3.99Å; I33-I37 HydrophobicContact CG2-CG1 4.35Å; I33-I37 WeakPolarHBondContact O-CG1 3.45Å; I33-I37 PolarHBondContact O-N 2.89Å; I33-L54 HydrophobicContact CG2-CD2 4.22Å; I33-A57 HydrophobicContact CD1-CB 4.22Å; I33-K58 HydrophobicContact CD1-CG 4.16Å
34	P	80.8	Confident	68	Low	76 Å²	76	100.3 Å²	100.3	49%	0.494	52%	0.519	S	S	.	.	H	α-helix	trans	-59.6	-38	176.6	-24.2	34	0	0	0	113.5	H32 I37 V38	H32-P34 VanDerWaalsContact C-CD 3.42Å; H32-P34 VanDerWaalsContact C-N 3.31Å; P34-I37 PolarHBondContact O-N 3.11Å; P34-V38 WeakPolarHBondContact O-CG2 3.47Å; P34-V38 PolarHBondContact O-N 3.5Å
35	A	77.4	Confident	69.8	Low	48 Å²	48	97.4 Å²	97.4	40%	0.397	50%	0.499	S	S	.	.	H	α-helix	trans	-71.7	-34	178	0	0	0	0	0	111.7	H32 I33 V38 R39	H32-A35 HydrophobicContact CB-CB 4.26Å; H32-A35 WeakPolarHBondContact ND1-CB 3.33Å; H32-A35 PolarHBondContact ND1-N 3.41Å; H32-A35 WeakPolarHBondContact O-CB 3.22Å; H32-A35 PolarHBondContact O-N 2.99Å; I33-A35 VanDerWaalsContact C-N 3.29Å; I33-A35 PolarHBondContact O-N 2.81Å; A35-V38 PolarHBondContact O-N 3.45Å; A35-R39 WeakPolarHBondContact O-CG 3.38Å; A35-R39 PolarHBondContact O-N 3.3Å
36	L	80	Confident	71.5	Confident	10 Å²	10	95.7 Å²	95.7	5%	0.052	48%	0.477	C	S	.	.	H	α-helix	trans	-65.7	-42.5	174.5	-176.5	62.4	0	0	0	111.4	H32 I33 V38 R39 L40 L54 A57 P63	H32-L36 PolarHBondContact O-N 3.22Å; H32-L36 VanDerWaalsContact O-N 3.11Å; I33-L36 WeakPolarHBondContact O-CB 3.46Å; I33-L36 PolarHBondContact O-N 3.09Å; I33-L36 VanDerWaalsContact O-N 3.13Å; L36-V38 PolarHBondContact O-N 3.25Å; L36-R39 WeakPolarHBondContact O-CB 3.49Å; L36-R39 PolarHBondContact O-N 3.13Å; L36-R39 VanDerWaalsContact O-N 3.17Å; L36-L40 HydrophobicContact CD1-CD1 4.43Å; L36-L40 HydrophobicContact CD1-CG 4.31Å; L36-L40 HydrophobicContact CG-CD1 4.05Å; L36-L40 HydrophobicContact CG-CG 4.35Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 3.43Å; L36-L54 HydrophobicContact CD2-CD2 4.01Å; L36-L54 HydrophobicContact CG-CD2 4.17Å; L36-A57 HydrophobicContact CD2-CB 3.32Å; L36-P63 HydrophobicContact CD1-CB 4.22Å; L36-P63 HydrophobicContact CD1-CG 3.91Å; L36-P63 HydrophobicContact CD2-CB 4.48Å; L36-P63 HydrophobicContact CD2-CG 4.26Å
37	I	81.4	Confident	73	Confident	69 Å²	69	91.9 Å²	91.9	35%	0.354	48%	0.476	S	S	.	.	H	α-helix	trans	-57.1	-49.8	175.4	-66.7	167.4	0	0	0	110.2	I33 P34 R39 L40 D41 L54	I33-I37 HydrophobicContact CG2-CD1 3.99Å; I33-I37 HydrophobicContact CG2-CG1 4.35Å; I33-I37 WeakPolarHBondContact O-CG1 3.45Å; I33-I37 PolarHBondContact O-N 2.89Å; P34-I37 PolarHBondContact O-N 3.11Å; I37-R39 VanDerWaalsContact C-N 3.27Å; I37-R39 PolarHBondContact O-N 2.94Å; I37-L40 PolarHBondContact O-N 3.26Å; I37-L40 VanDerWaalsContact O-N 3.09Å; I37-D41 PolarHBondContact O-N 3.01Å; I37-L54 HydrophobicContact CD1-CD2 4.46Å; I37-L54 HydrophobicContact CG1-CD1 4.1Å; I37-L54 HydrophobicContact CG1-CD2 3.57Å
38	V	79.7	Confident	74.6	Confident	82 Å²	82	90.9 Å²	90.9	50%	0.497	47%	0.468	S	S	.	.	H	α-helix	trans	-60	-36.3	178.2	174.3	0	0	0	0	112.3	P34 A35 L36 K42	P34-V38 WeakPolarHBondContact O-CG2 3.47Å; P34-V38 PolarHBondContact O-N 3.5Å; A35-V38 PolarHBondContact O-N 3.45Å; L36-V38 PolarHBondContact O-N 3.25Å; V38-K42 WeakPolarHBondContact O-CG 3.31Å
39	R	78.2	Confident	75.5	Confident	130 Å²	130	86.3 Å²	86.3	49%	0.491	44%	0.439	S	S	.	.	H	α-helix	trans	-66.6	-47	173.9	-76.7	176.1	62.1	-168.1	-6.8	111.3	A35 L36 I37 D41 K42 D64	A35-R39 WeakPolarHBondContact O-CG 3.38Å; A35-R39 PolarHBondContact O-N 3.3Å; L36-R39 WeakPolarHBondContact O-CB 3.49Å; L36-R39 PolarHBondContact O-N 3.13Å; L36-R39 VanDerWaalsContact O-N 3.17Å; I37-R39 VanDerWaalsContact C-N 3.27Å; I37-R39 PolarHBondContact O-N 2.94Å; R39-D41 VanDerWaalsContact C-N 3.3Å; R39-D41 PolarHBondContact O-N 2.99Å; R39-K42 PolarHBondContact O-N 3.32Å; R39-D64 IonicContact NH1-OD2 3.56Å; R39-D64 IonicContact NH2-OD1 2.9Å; R39-D64 PolarHBondContact NH2-OD1 3.45Å; R39-D64 IonicContact NH2-OD2 2.99Å
40	L	78.8	Confident	76.5	Confident	8 Å²	8	82.5 Å²	82.5	4%	0.042	42%	0.423	C	S	.	.	H	α-helix	trans	-65.5	-32.2	-178.5	-69.2	174.8	0	0	0	112.4	L36 I37 K42 L43 L45 K50 I53 L54	L36-L40 HydrophobicContact CD1-CD1 4.43Å; L36-L40 HydrophobicContact CD1-CG 4.31Å; L36-L40 HydrophobicContact CG-CD1 4.05Å; L36-L40 HydrophobicContact CG-CG 4.35Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 3.43Å; I37-L40 PolarHBondContact O-N 3.26Å; I37-L40 VanDerWaalsContact O-N 3.09Å; L40-K42 PolarHBondContact O-N 2.97Å; L40-L43 HydrophobicContact CD2-CD1 4.29Å; L40-L43 PolarHBondContact O-N 3.46Å; L40-L43 VanDerWaalsContact O-N 3.09Å; L40-L45 HydrophobicContact CD2-CD1 3.8Å; L40-K50 HydrophobicContact CB-CD 4.45Å; L40-K50 HydrophobicContact CB-CG 4.26Å; L40-K50 WeakPolarHBondContact O-CE 3.46Å; L40-I53 HydrophobicContact CD1-CB 4.21Å; L40-I53 HydrophobicContact CD1-CG2 4.07Å; L40-I53 HydrophobicContact CD2-CB 4.33Å; L40-I53 HydrophobicContact CD2-CD1 3.75Å; L40-I53 HydrophobicContact CD2-CG2 4.03Å; L40-L54 HydrophobicContact CD1-CD1 4.34Å; L40-L54 HydrophobicContact CD1-CD2 3.96Å; L40-L54 HydrophobicContact CD1-CG 3.72Å
41	D	78.8	Confident	77.4	Confident	99 Å²	99	76.5 Å²	76.5	53%	0.529	41%	0.405	S	S	.	.	H	α-helix	trans	-68.3	-19.6	177	-76	-24.5	0	0	0	114.5	I37 R39 L43 K50	I37-D41 PolarHBondContact O-N 3.01Å; R39-D41 VanDerWaalsContact C-N 3.3Å; R39-D41 PolarHBondContact O-N 2.99Å; D41-L43 VanDerWaalsContact C-N 3.35Å; D41-K50 IonicContact OD1-NZ 3.83Å; D41-K50 PolarHBondContact OD1-NZ 2.89Å
42	K	79.4	Confident	77.9	Confident	169 Å²	169	75.7 Å²	75.7	74%	0.735	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.1	173.4	-62.5	176.5	-176.4	-172.9	0	113.1	V38 R39 L40	V38-K42 WeakPolarHBondContact O-CG 3.31Å; R39-K42 PolarHBondContact O-N 3.32Å; L40-K42 PolarHBondContact O-N 2.97Å
43	L	74.6	Confident	78	Confident	90 Å²	90	70.5 Å²	70.5	47%	0.471	39%	0.385	S	S	.	.	S	Bend	trans	-97.5	143.1	-179.3	-61.4	177	0	0	0	110.4	L40 D41 L45	L40-L43 HydrophobicContact CD2-CD1 4.29Å; L40-L43 PolarHBondContact O-N 3.46Å; L40-L43 VanDerWaalsContact O-N 3.09Å; D41-L43 VanDerWaalsContact C-N 3.35Å; L43-L45 HydrophobicContact CB-CD1 3.84Å; L43-L45 HydrophobicContact CB-CG 3.82Å; L43-L45 HydrophobicContact CD1-CD1 3.9Å; L43-L45 PolarHBondContact O-N 2.96Å
44	P	78.9	Confident	78.2	Confident	135 Å²	135	69.9 Å²	69.9	88%	0.877	38%	0.382	S	S	*	.			trans	-76.2	62.5	175.2	34.5	-36.3	0	0	0	110.2
45	L	74.9	Confident	78.1	Confident	49 Å²	49	69.5 Å²	69.5	26%	0.257	38%	0.376	S	S	.	.			trans	-105.7	143.6	179.6	-67.4	173.3	0	0	0	110.1	L40 L43 E49 K50 I53	L40-L45 HydrophobicContact CD2-CD1 3.8Å; L43-L45 HydrophobicContact CB-CD1 3.84Å; L43-L45 HydrophobicContact CB-CG 3.82Å; L43-L45 HydrophobicContact CD1-CD1 3.9Å; L43-L45 PolarHBondContact O-N 2.96Å; L45-E49 WeakPolarHBondContact CA-OE2 3.4Å; L45-E49 HydrophobicContact CB-CB 4.27Å; L45-E49 HydrophobicContact CD2-CB 4.36Å; L45-E49 WeakPolarHBondContact CD2-OE2 3.49Å; L45-K50 HydrophobicContact CB-CG 3.75Å; L45-K50 HydrophobicContact CD1-CG 4.38Å; L45-K50 WeakPolarHBondContact O-CE 3.34Å; L45-I53 HydrophobicContact CD1-CD1 3.77Å
46	L	77.7	Confident	78	Confident	59 Å²	59	71.3 Å²	71.3	31%	0.309	37%	0.372	S	S	.	.			trans	-63.5	151.2	171.2	-68.9	168.8	0	0	0	110.1	T48 E49 K50 E73	L46-T48 PolarHBondContact O-N 2.92Å; L46-T48 VanDerWaalsContact O-N 3.13Å; L46-E49 HydrophobicContact CB-CB 4.5Å; L46-E49 HydrophobicContact CB-CG 4.09Å; L46-E49 PolarHBondContact N-OE2 3.45Å; L46-E49 WeakPolarHBondContact O-CB 3.48Å; L46-E49 PolarHBondContact O-N 2.83Å; L46-K50 PolarHBondContact O-N 3.23Å; L46-E73 HydrophobicContact CD1-CB 4.42Å
47	P	76.7	Confident	77.9	Confident	103 Å²	103	71 Å²	71	67%	0.669	37%	0.371	S	S	*	.	H	α-helix	trans	-52.9	-37.3	177	-27	34.8	0	0	0	113.1	K50 E51	P47-K50 PolarHBondContact O-N 2.92Å; P47-E51 WeakPolarHBondContact O-CB 3.49Å; P47-E51 PolarHBondContact O-N 3.29Å
48	T	77.8	Confident	77.7	Confident	87 Å²	87	74.4 Å²	74.4	53%	0.534	38%	0.383	S	S	.	.	H	α-helix	trans	-66.5	-38.2	177.3	49.4	0	0	0	0	112.9	L46 A52	L46-T48 PolarHBondContact O-N 2.92Å; L46-T48 VanDerWaalsContact O-N 3.13Å; T48-A52 VanDerWaalsContact O-CB 3.3Å; T48-A52 WeakPolarHBondContact O-CB 3.46Å; T48-A52 PolarHBondContact O-N 2.94Å
49	E	72.4	Confident	77.4	Confident	8 Å²	8	77.5 Å²	77.5	4%	0.037	39%	0.394	C	S	.	.	H	α-helix	trans	-68.9	-44.4	176.3	-64.6	172.8	151.6	0	0	110.4	L45 L46 E51 A52 I53 I69 T71 T74	L45-E49 WeakPolarHBondContact CA-OE2 3.4Å; L45-E49 HydrophobicContact CB-CB 4.27Å; L45-E49 HydrophobicContact CD2-CB 4.36Å; L45-E49 WeakPolarHBondContact CD2-OE2 3.49Å; L46-E49 HydrophobicContact CB-CB 4.5Å; L46-E49 HydrophobicContact CB-CG 4.09Å; L46-E49 PolarHBondContact N-OE2 3.45Å; L46-E49 WeakPolarHBondContact O-CB 3.48Å; L46-E49 PolarHBondContact O-N 2.83Å; E49-E51 VanDerWaalsContact C-N 3.35Å; E49-E51 PolarHBondContact O-N 3.31Å; E49-A52 PolarHBondContact O-N 3.42Å; E49-I53 VanDerWaalsContact O-CG1 3.28Å; E49-I53 WeakPolarHBondContact O-CG1 3.28Å; E49-I53 PolarHBondContact O-N 3.44Å; E49-I69 HydrophobicContact CB-CD1 4.26Å; E49-I69 HydrophobicContact CG-CB 4.09Å; E49-I69 HydrophobicContact CG-CG2 3.99Å; E49-I69 WeakPolarHBondContact O-CD1 3.3Å; E49-T71 HydrophobicContact CG-CG2 3.86Å; E49-T74 PolarHBondContact OE1-OG1 3.23Å
50	K	77.2	Confident	76.9	Confident	42 Å²	42	72.3 Å²	72.3	18%	0.183	38%	0.381	C	S	.	.	H	α-helix	trans	-58.2	-47.2	174.7	-65.2	-176	-179.2	-174.7	0	111.3	L40 D41 L45 L46 P47 I53 L54	L40-K50 HydrophobicContact CB-CD 4.45Å; L40-K50 HydrophobicContact CB-CG 4.26Å; L40-K50 WeakPolarHBondContact O-CE 3.46Å; D41-K50 IonicContact OD1-NZ 3.83Å; D41-K50 PolarHBondContact OD1-NZ 2.89Å; L45-K50 HydrophobicContact CB-CG 3.75Å; L45-K50 HydrophobicContact CD1-CG 4.38Å; L45-K50 WeakPolarHBondContact O-CE 3.34Å; L46-K50 PolarHBondContact O-N 3.23Å; P47-K50 PolarHBondContact O-N 2.92Å; K50-I53 PolarHBondContact O-N 3.32Å; K50-L54 WeakPolarHBondContact O-CG 3.35Å; K50-L54 PolarHBondContact O-N 3.02Å
51	E	79.4	Confident	76.3	Confident	117 Å²	117	76.7 Å²	76.7	55%	0.547	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-43.8	179	-173.4	178.5	-174.8	0	0	111.9	P47 E49 I53 L54 N55	P47-E51 WeakPolarHBondContact O-CB 3.49Å; P47-E51 PolarHBondContact O-N 3.29Å; E49-E51 VanDerWaalsContact C-N 3.35Å; E49-E51 PolarHBondContact O-N 3.31Å; E51-I53 VanDerWaalsContact C-N 3.34Å; E51-I53 PolarHBondContact O-N 3.39Å; E51-L54 PolarHBondContact O-N 3.02Å; E51-N55 WeakPolarHBondContact O-CB 3.43Å; E51-N55 VanDerWaalsContact O-CG 3.31Å; E51-N55 PolarHBondContact O-N 3.07Å; E51-N55 PolarHBondContact O-ND2 2.69Å
52	A	78	Confident	75.8	Confident	31 Å²	31	73.8 Å²	73.8	26%	0.256	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-39.4	176.8	0	0	0	0	0	112.3	T48 E49 R56 I69	T48-A52 VanDerWaalsContact O-CB 3.3Å; T48-A52 WeakPolarHBondContact O-CB 3.46Å; T48-A52 PolarHBondContact O-N 2.94Å; E49-A52 PolarHBondContact O-N 3.42Å; A52-R56 VanDerWaalsContact O-CG 3.27Å; A52-R56 WeakPolarHBondContact O-CG 3.49Å; A52-R56 PolarHBondContact O-N 3.36Å; A52-I69 HydrophobicContact CB-CD1 3.46Å; A52-I69 VanDerWaalsContact CB-CD1 3.46Å
53	I	77.9	Confident	75.2	Confident	24 Å²	24	66.3 Å²	66.3	12%	0.123	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-45	173.7	-64.6	164.6	0	0	0	110.6	L40 L45 E49 K50 E51 N55 R56 A57 P63 I69	L40-I53 HydrophobicContact CD1-CB 4.21Å; L40-I53 HydrophobicContact CD1-CG2 4.07Å; L40-I53 HydrophobicContact CD2-CB 4.33Å; L40-I53 HydrophobicContact CD2-CD1 3.75Å; L40-I53 HydrophobicContact CD2-CG2 4.03Å; L45-I53 HydrophobicContact CD1-CD1 3.77Å; E49-I53 VanDerWaalsContact O-CG1 3.28Å; E49-I53 WeakPolarHBondContact O-CG1 3.28Å; E49-I53 PolarHBondContact O-N 3.44Å; K50-I53 PolarHBondContact O-N 3.32Å; E51-I53 VanDerWaalsContact C-N 3.34Å; E51-I53 PolarHBondContact O-N 3.39Å; I53-N55 PolarHBondContact O-N 3.01Å; I53-R56 PolarHBondContact O-N 2.98Å; I53-A57 WeakPolarHBondContact O-CB 3.45Å; I53-A57 PolarHBondContact O-N 3.4Å; I53-P63 HydrophobicContact CG2-CB 3.45Å; I53-P63 VanDerWaalsContact CG2-CB 3.45Å; I53-I69 HydrophobicContact CG1-CD1 3.9Å
54	L	81.3	Confident	74.7	Confident	32 Å²	32	67 Å²	67	17%	0.168	36%	0.362	C	S	.	.	H	α-helix	trans	-61.3	-42.4	177.7	-74	166.9	0	0	0	112.1	I33 L36 I37 L40 K50 E51 A57 K58	I33-L54 HydrophobicContact CG2-CD2 4.22Å; L36-L54 HydrophobicContact CD2-CD2 4.01Å; L36-L54 HydrophobicContact CG-CD2 4.17Å; I37-L54 HydrophobicContact CD1-CD2 4.46Å; I37-L54 HydrophobicContact CG1-CD1 4.1Å; I37-L54 HydrophobicContact CG1-CD2 3.57Å; L40-L54 HydrophobicContact CD1-CD1 4.34Å; L40-L54 HydrophobicContact CD1-CD2 3.96Å; L40-L54 HydrophobicContact CD1-CG 3.72Å; K50-L54 WeakPolarHBondContact O-CG 3.35Å; K50-L54 PolarHBondContact O-N 3.02Å; E51-L54 PolarHBondContact O-N 3.02Å; L54-A57 PolarHBondContact O-N 3.17Å; L54-K58 WeakPolarHBondContact O-CG 3.35Å; L54-K58 PolarHBondContact O-N 2.87Å
55	N	79.5	Confident	73.7	Confident	68 Å²	68	66.8 Å²	66.8	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-65.2	-40.1	178	-73.7	-21.7	0	0	0	111.5	E51 I53 K58 M59	E51-N55 WeakPolarHBondContact O-CB 3.43Å; E51-N55 VanDerWaalsContact O-CG 3.31Å; E51-N55 PolarHBondContact O-N 3.07Å; E51-N55 PolarHBondContact O-ND2 2.69Å; I53-N55 PolarHBondContact O-N 3.01Å; N55-K58 PolarHBondContact O-N 3.38Å; N55-M59 WeakPolarHBondContact O-CG 3.23Å; N55-M59 PolarHBondContact O-N 2.99Å; N55-M59 VanDerWaalsContact O-N 3.15Å
56	R	75.6	Confident	72.5	Confident	85 Å²	85	66 Å²	66	32%	0.321	35%	0.349	S	S	.	.	H	α-helix	trans	-64.1	-43.4	173.5	-71.3	175.2	-168.1	175.3	3.4	111.9	A52 I53 K58 M59 G60 L61 C66	A52-R56 VanDerWaalsContact O-CG 3.27Å; A52-R56 WeakPolarHBondContact O-CG 3.49Å; A52-R56 PolarHBondContact O-N 3.36Å; I53-R56 PolarHBondContact O-N 2.98Å; R56-K58 VanDerWaalsContact C-N 3.32Å; R56-K58 PolarHBondContact O-N 2.89Å; R56-M59 CarbonylContact O-C 3.51Å; R56-M59 WeakPolarHBondContact O-CA 3.18Å; R56-M59 WeakPolarHBondContact O-CB 3.36Å; R56-M59 PolarHBondContact O-N 2.79Å; R56-G60 PolarHBondContact O-N 3.21Å; R56-L61 HydrophobicContact CB-CB 4.14Å; R56-L61 WeakPolarHBondContact O-CB 3.42Å; R56-L61 PolarHBondContact O-N 2.87Å; R56-C66 WeakPolarHBondContact CD-SG 3.16Å
57	A	77.1	Confident	71.2	Confident	4 Å²	4	66.7 Å²	66.7	3%	0.033	36%	0.363	C	S	.	.	H	α-helix	trans	-62.3	-37.9	176.4	0	0	0	0	0	112.6	Y31 I33 L36 I53 L54 M59 G60 L61	Y31-A57 HydrophobicContact CD2-CB 4.28Å; Y31-A57 HydrophobicContact CG-CB 4.42Å; I33-A57 HydrophobicContact CD1-CB 4.22Å; L36-A57 HydrophobicContact CD2-CB 3.32Å; I53-A57 WeakPolarHBondContact O-CB 3.45Å; I53-A57 PolarHBondContact O-N 3.4Å; L54-A57 PolarHBondContact O-N 3.17Å; A57-M59 VanDerWaalsContact C-N 3.26Å; A57-M59 PolarHBondContact O-N 2.89Å; A57-G60 WeakPolarHBondContact O-CA 3.43Å; A57-G60 PolarHBondContact O-N 3.42Å; A57-L61 WeakPolarHBondContact CA-O 3.36Å
58	K	77	Confident	70	Confident	140 Å²	140	67 Å²	67	61%	0.609	37%	0.365	S	S	*	.	H	α-helix	trans	-62.9	-31.7	172.5	-73.2	173	-175.9	173	0	112.7	I33 L54 N55 R56 G60	I33-K58 HydrophobicContact CD1-CG 4.16Å; L54-K58 WeakPolarHBondContact O-CG 3.35Å; L54-K58 PolarHBondContact O-N 2.87Å; N55-K58 PolarHBondContact O-N 3.38Å; R56-K58 VanDerWaalsContact C-N 3.32Å; R56-K58 PolarHBondContact O-N 2.89Å; K58-G60 PolarHBondContact O-N 3.46Å
59	M	74.2	Confident	68.8	Low	147 Å²	147	64.8 Å²	64.8	72%	0.724	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	2.4	172.9	-62.1	-63.8	-178.1	0	0	113	N55 R56 A57 L61	N55-M59 WeakPolarHBondContact O-CG 3.23Å; N55-M59 PolarHBondContact O-N 2.99Å; N55-M59 VanDerWaalsContact O-N 3.15Å; R56-M59 CarbonylContact O-C 3.51Å; R56-M59 WeakPolarHBondContact O-CA 3.18Å; R56-M59 WeakPolarHBondContact O-CB 3.36Å; R56-M59 PolarHBondContact O-N 2.79Å; A57-M59 VanDerWaalsContact C-N 3.26Å; A57-M59 PolarHBondContact O-N 2.89Å; M59-L61 VanDerWaalsContact C-N 3.3Å; M59-L61 HydrophobicContact CB-CD1 3.98Å; M59-L61 PolarHBondContact O-N 3.36Å
60	G	67	Low	67.4	Low	21 Å²	21	70.3 Å²	70.3	22%	0.216	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	12.3	-179.1	0	0	0	0	0	114.4	R56 A57 K58	R56-G60 PolarHBondContact O-N 3.21Å; A57-G60 WeakPolarHBondContact O-CA 3.43Å; A57-G60 PolarHBondContact O-N 3.42Å; K58-G60 PolarHBondContact O-N 3.46Å
61	L	67.7	Low	65.7	Low	100 Å²	100	69.8 Å²	69.8	52%	0.524	38%	0.378	S	S	.	.			trans	-79.9	136.4	171	-74.7	130.6	0	0	0	109.9	R56 A57 M59 P63	R56-L61 HydrophobicContact CB-CB 4.14Å; R56-L61 WeakPolarHBondContact O-CB 3.42Å; R56-L61 PolarHBondContact O-N 2.87Å; A57-L61 WeakPolarHBondContact CA-O 3.36Å; M59-L61 VanDerWaalsContact C-N 3.3Å; M59-L61 HydrophobicContact CB-CD1 3.98Å; M59-L61 PolarHBondContact O-N 3.36Å; L61-P63 WeakPolarHBondContact O-CD 3.32Å
62	D	67.4	Low	64	Low	38 Å²	38	73.5 Å²	73.5	20%	0.203	39%	0.392	C	S	.	.			trans	-67.1	116.2	179.2	-164.1	-25.6	0	0	0	110.2	K29 Y31 D64 M65 C66	K29-D62 IonicContact NZ-OD2 3.69Å; Y31-D62 WeakPolarHBondContact OH-CA 3.41Å; Y31-D62 WeakPolarHBondContact OH-CB 3.46Å; Y31-D62 PolarHBondContact OH-OD1 3.12Å; Y31-D62 PolarHBondContact OH-OD2 2.96Å; D62-D64 PolarHBondContact O-N 2.89Å; D62-D64 PolarHBondContact OD1-N 3.21Å; D62-D64 VanDerWaalsContact OD1-N 3.07Å; D62-M65 HydrophobicContact CB-CB 3.95Å; D62-M65 HydrophobicContact CB-CG 3.74Å; D62-M65 PolarHBondContact O-N 3.03Å; D62-M65 VanDerWaalsContact O-N 3.09Å; D62-C66 PolarHBondContact O-N 3.38Å; D62-C66 PolarHBondContact O-SG 3.37Å
63	P	66.7	Low	62.2	Low	13 Å²	13	78.2 Å²	78.2	8%	0.084	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-62.5	-27.2	-180	27	-34.2	0	0	0	111.8	Y31 L36 I53 L61 M65 C66	Y31-P63 HydrophobicContact CD1-CG 4.21Å; Y31-P63 HydrophobicContact CE1-CG 4.04Å; L36-P63 HydrophobicContact CD1-CB 4.22Å; L36-P63 HydrophobicContact CD1-CG 3.91Å; L36-P63 HydrophobicContact CD2-CB 4.48Å; L36-P63 HydrophobicContact CD2-CG 4.26Å; I53-P63 HydrophobicContact CG2-CB 3.45Å; I53-P63 VanDerWaalsContact CG2-CB 3.45Å; L61-P63 WeakPolarHBondContact O-CD 3.32Å; P63-M65 VanDerWaalsContact C-N 3.32Å; P63-C66 WeakPolarHBondContact O-CB 3.46Å; P63-C66 PolarHBondContact O-N 2.69Å
64	D	65	Low	60.5	Low	105 Å²	105	78.3 Å²	78.3	56%	0.561	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-79.5	-17.5	179.3	-61.1	-36.8	0	0	0	112	R39 D62	R39-D64 IonicContact NH1-OD2 3.56Å; R39-D64 IonicContact NH2-OD1 2.9Å; R39-D64 PolarHBondContact NH2-OD1 3.45Å; R39-D64 IonicContact NH2-OD2 2.99Å; D62-D64 PolarHBondContact O-N 2.89Å; D62-D64 PolarHBondContact OD1-N 3.21Å; D62-D64 VanDerWaalsContact OD1-N 3.07Å
65	M	56.9	Low	58.7	Low	130 Å²	130	80.3 Å²	80.3	64%	0.64	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-94.2	0.8	174.6	-62.4	-67.8	-68.9	0	0	112.9	D62 P63	D62-M65 HydrophobicContact CB-CB 3.95Å; D62-M65 HydrophobicContact CB-CG 3.74Å; D62-M65 PolarHBondContact O-N 3.03Å; D62-M65 VanDerWaalsContact O-N 3.09Å; P63-M65 VanDerWaalsContact C-N 3.32Å
66	C	50.7	Low	56.8	Low	33 Å²	33	86.4 Å²	86.4	22%	0.223	44%	0.442	C	S	.	.	S	Bend	trans	-73.7	129.8	-179.3	-74.8	0	0	0	0	110.2	R56 D62 P63	R56-C66 WeakPolarHBondContact CD-SG 3.16Å; D62-C66 PolarHBondContact O-N 3.38Å; D62-C66 PolarHBondContact O-SG 3.37Å; P63-C66 WeakPolarHBondContact O-CB 3.46Å; P63-C66 PolarHBondContact O-N 2.69Å
67	A	50.7	Low	55.2	Low	73 Å²	73	88.8 Å²	88.8	60%	0.603	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-54.3	141.2	167.1	0	0	0	0	0	109.3	I69	A67-I69 PolarHBondContact O-N 3.06Å
68	P	51	Low	53.6	Low	108 Å²	108	96.4 Å²	96.4	70%	0.701	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-51.4	132	178.3	19.8	-30.7	0	0	0	108.9	I70	P68-I70 HydrophobicContact CG-CG1 4.47Å; P68-I70 PolarHBondContact O-N 3Å
69	I	52.3	Low	52	Low	41 Å²	41	92.6 Å²	92.6	21%	0.21	48%	0.481	C	S	.	.			trans	-75	89.1	175.9	-57.2	176.3	0	0	0	105.2	E49 A52 I53 A67 T71	E49-I69 HydrophobicContact CB-CD1 4.26Å; E49-I69 HydrophobicContact CG-CB 4.09Å; E49-I69 HydrophobicContact CG-CG2 3.99Å; E49-I69 WeakPolarHBondContact O-CD1 3.3Å; A52-I69 HydrophobicContact CB-CD1 3.46Å; A52-I69 VanDerWaalsContact CB-CD1 3.46Å; I53-I69 HydrophobicContact CG1-CD1 3.9Å; A67-I69 PolarHBondContact O-N 3.06Å; I69-T71 VanDerWaalsContact C-N 3.26Å; I69-T71 HydrophobicContact CG2-CG2 3.92Å; I69-T71 PolarHBondContact O-N 3.28Å
70	I	42.3	Very low	50.5	Low	124 Å²	124	90.8 Å²	90.8	64%	0.636	47%	0.473	S	S	*	.			trans	-72.5	89.7	177.5	-55.9	168.1	0	0	0	106.2	P68 T75	P68-I70 HydrophobicContact CG-CG1 4.47Å; P68-I70 PolarHBondContact O-N 3Å; I70-T75 HydrophobicContact CG2-CG2 4.16Å
71	T	41.3	Very low	49.3	Very low	31 Å²	31	97.9 Å²	97.9	19%	0.19	49%	0.494	C	S	.	.			trans	-77.5	153	164.4	78.3	0	0	0	0	108.5	E49 I69 E73 T74 T75	E49-T71 HydrophobicContact CG-CG2 3.86Å; I69-T71 VanDerWaalsContact C-N 3.26Å; I69-T71 HydrophobicContact CG2-CG2 3.92Å; I69-T71 PolarHBondContact O-N 3.28Å; T71-E73 PolarHBondContact O-N 3.22Å; T71-E73 VanDerWaalsContact O-N 3.12Å; T71-T74 PolarHBondContact N-OG1 3.11Å; T71-T74 PolarHBondContact O-N 3.38Å; T71-T74 VanDerWaalsContact O-N 3.08Å; T71-T74 PolarHBondContact O-OG1 3.33Å; T71-T74 PolarHBondContact OG1-N 3.15Å; T71-T74 PolarHBondContact OG1-OG1 3.48Å; T71-T75 PolarHBondContact O-N 3.22Å; T71-T75 VanDerWaalsContact O-N 3.11Å; T71-T75 PolarHBondContact O-OG1 3.05Å
72	K	43.6	Very low	48	Very low	195 Å²	195	99.9 Å²	99.9	85%	0.848	50%	0.501	S	S	*	.	H	α-helix	trans	-58.1	-24.8	179.1	-71.4	-179.2	179.4	178.2	0	112.3	T75	K72-T75 WeakPolarHBondContact CA-OG1 3.27Å; K72-T75 PolarHBondContact O-OG1 3.37Å
73	E	41.3	Very low	46.9	Very low	131 Å²	131	102 Å²	102	61%	0.612	52%	0.523	S	S	*	.	H	α-helix	trans	-77	-44.1	176.3	-67.1	-178.9	168.7	0	0	110.8	L46 T71 T75 R76 E77	L46-E73 HydrophobicContact CD1-CB 4.42Å; T71-E73 PolarHBondContact O-N 3.22Å; T71-E73 VanDerWaalsContact O-N 3.12Å; E73-T75 PolarHBondContact O-N 2.94Å; E73-R76 WeakPolarHBondContact O-CB 3.44Å; E73-R76 PolarHBondContact O-N 2.95Å; E73-E77 PolarHBondContact O-N 2.98Å
74	T	42.1	Very low	45.7	Very low	25 Å²	25	105 Å²	105	15%	0.153	55%	0.545	C	S	.	.	H	α-helix	trans	-59.5	-33	174.3	-12.8	0	0	0	0	111.9	E49 T71 R76 E77 Y78	E49-T74 PolarHBondContact OE1-OG1 3.23Å; T71-T74 PolarHBondContact N-OG1 3.11Å; T71-T74 PolarHBondContact O-N 3.38Å; T71-T74 VanDerWaalsContact O-N 3.08Å; T71-T74 PolarHBondContact O-OG1 3.33Å; T71-T74 PolarHBondContact OG1-N 3.15Å; T71-T74 PolarHBondContact OG1-OG1 3.48Å; T74-R76 VanDerWaalsContact C-N 3.27Å; T74-R76 PolarHBondContact O-N 3.08Å; T74-E77 PolarHBondContact O-N 2.89Å; T74-Y78 HydrophobicContact CG2-CD2 4.14Å; T74-Y78 HydrophobicContact CG2-CE2 4.18Å; T74-Y78 WeakPolarHBondContact O-CD2 3.42Å; T74-Y78 PolarHBondContact O-N 2.96Å
75	T	43.6	Very low	44.5	Very low	75 Å²	75	104.8 Å²	104.8	46%	0.46	54%	0.543	S	S	.	.	H	α-helix	trans	-64.4	-32.1	175.5	-4.4	0	0	0	0	112.5	I70 T71 K72 E73 A79	I70-T75 HydrophobicContact CG2-CG2 4.16Å; T71-T75 PolarHBondContact O-N 3.22Å; T71-T75 VanDerWaalsContact O-N 3.11Å; T71-T75 PolarHBondContact O-OG1 3.05Å; K72-T75 WeakPolarHBondContact CA-OG1 3.27Å; K72-T75 PolarHBondContact O-OG1 3.37Å; E73-T75 PolarHBondContact O-N 2.94Å; T75-A79 VanDerWaalsContact O-CB 3.26Å; T75-A79 WeakPolarHBondContact O-CB 3.45Å; T75-A79 PolarHBondContact O-N 3.26Å; T75-A79 VanDerWaalsContact O-N 3.07Å
76	R	40.3	Very low	43.6	Very low	195 Å²	195	104 Å²	104	74%	0.736	55%	0.548	S	S	*	.	H	α-helix	trans	-74.8	-40.2	178	-160.3	175.9	-174.5	172.7	0.5	111.1	E73 T74 A79 I80	E73-R76 WeakPolarHBondContact O-CB 3.44Å; E73-R76 PolarHBondContact O-N 2.95Å; T74-R76 VanDerWaalsContact C-N 3.27Å; T74-R76 PolarHBondContact O-N 3.08Å; R76-A79 PolarHBondContact O-N 3.41Å; R76-I80 HydrophobicContact CG-CD1 4.5Å; R76-I80 WeakPolarHBondContact O-CD1 3.38Å; R76-I80 VanDerWaalsContact O-CG1 3.22Å; R76-I80 WeakPolarHBondContact O-CG1 3.43Å; R76-I80 PolarHBondContact O-N 3.41Å
77	E	41.8	Very low	43.3	Very low	135 Å²	135	113.2 Å²	113.2	63%	0.631	58%	0.578	S	S	*	*	H	α-helix	trans	-68.4	-41.4	176.9	-67.5	-174.2	170.6	0	0	112.4	E73 T74 A79 I80 Y81	E73-E77 PolarHBondContact O-N 2.98Å; T74-E77 PolarHBondContact O-N 2.89Å; E77-A79 VanDerWaalsContact C-N 3.34Å; E77-A79 PolarHBondContact O-N 2.75Å; E77-I80 PolarHBondContact O-N 3.19Å; E77-Y81 PolarHBondContact O-N 3.26Å
78	Y	43	Very low	42.7	Very low	165 Å²	165	118.2 Å²	118.2	65%	0.647	59%	0.589	S	S	*	*	H	α-helix	trans	-64.1	-38.3	172.6	-92.9	-85.4	0	0	0	112.3	T74 I80 Y81 E82	T74-Y78 HydrophobicContact CG2-CD2 4.14Å; T74-Y78 HydrophobicContact CG2-CE2 4.18Å; T74-Y78 WeakPolarHBondContact O-CD2 3.42Å; T74-Y78 PolarHBondContact O-N 2.96Å; Y78-I80 VanDerWaalsContact C-N 3.27Å; Y78-I80 PolarHBondContact O-N 3.03Å; Y78-Y81 PolarHBondContact O-N 3.28Å; Y78-E82 PolarHBondContact O-N 3.09Å
79	A	43.3	Very low	41.8	Very low	59 Å²	59	119.1 Å²	119.1	49%	0.488	59%	0.593	S	S	.	*	H	α-helix	trans	-64.3	-33.4	174.9	0	0	0	0	0	112.2	T75 R76 E77 A83	T75-A79 VanDerWaalsContact O-CB 3.26Å; T75-A79 WeakPolarHBondContact O-CB 3.45Å; T75-A79 PolarHBondContact O-N 3.26Å; T75-A79 VanDerWaalsContact O-N 3.07Å; R76-A79 PolarHBondContact O-N 3.41Å; E77-A79 VanDerWaalsContact C-N 3.34Å; E77-A79 PolarHBondContact O-N 2.75Å; A79-A83 VanDerWaalsContact O-CB 3.25Å; A79-A83 WeakPolarHBondContact O-CB 3.42Å; A79-A83 PolarHBondContact O-N 3.04Å
80	I	41.8	Very low	41.2	Very low	110 Å²	110	123.1 Å²	123.1	56%	0.564	62%	0.619	S	S	*	*	H	α-helix	trans	-70.1	-40.1	173.4	-65.8	161.3	0	0	0	110.4	R76 E77 Y78 A83 S84	R76-I80 HydrophobicContact CG-CD1 4.5Å; R76-I80 WeakPolarHBondContact O-CD1 3.38Å; R76-I80 VanDerWaalsContact O-CG1 3.22Å; R76-I80 WeakPolarHBondContact O-CG1 3.43Å; R76-I80 PolarHBondContact O-N 3.41Å; E77-I80 PolarHBondContact O-N 3.19Å; Y78-I80 VanDerWaalsContact C-N 3.27Å; Y78-I80 PolarHBondContact O-N 3.03Å; I80-A83 PolarHBondContact O-N 3.39Å; I80-S84 PolarHBondContact O-N 2.88Å
81	Y	42.3	Very low	40.8	Very low	169 Å²	169	123.4 Å²	123.4	66%	0.663	63%	0.627	S	S	*	*	H	α-helix	trans	-66.4	-43	178.1	-139.6	-87	0	0	0	112	E77 Y78 A83 S84 L85	E77-Y81 PolarHBondContact O-N 3.26Å; Y78-Y81 PolarHBondContact O-N 3.28Å; Y81-A83 VanDerWaalsContact C-N 3.32Å; Y81-A83 PolarHBondContact O-N 3.07Å; Y81-S84 PolarHBondContact O-N 3.18Å; Y81-S84 VanDerWaalsContact O-N 3.12Å; Y81-S84 PolarHBondContact O-OG 3.42Å; Y81-L85 PolarHBondContact O-N 3.02Å
82	E	41.3	Very low	40.3	Very low	142 Å²	142	129.7 Å²	129.7	66%	0.664	66%	0.659	S	S	*	*	H	α-helix	trans	-67.9	-31.2	174.1	-73	-160.8	168.8	0	0	113	Y78 S84 L85	Y78-E82 PolarHBondContact O-N 3.09Å; E82-S84 PolarHBondContact O-N 2.93Å; E82-L85 HydrophobicContact CG-CD1 4.46Å; E82-L85 PolarHBondContact O-N 3.47Å
83	A	44.7	Very low	40	Very low	82 Å²	82	124.6 Å²	124.6	68%	0.678	65%	0.653	S	S	*	*	H	α-helix	trans	-69.3	-23.4	172.2	0	0	0	0	0	112.9	A79 I80 Y81	A79-A83 VanDerWaalsContact O-CB 3.25Å; A79-A83 WeakPolarHBondContact O-CB 3.42Å; A79-A83 PolarHBondContact O-N 3.04Å; I80-A83 PolarHBondContact O-N 3.39Å; Y81-A83 VanDerWaalsContact C-N 3.32Å; Y81-A83 PolarHBondContact O-N 3.07Å
84	S	39.9	Very low	39.8	Very low	76 Å²	76	124.9 Å²	124.9	53%	0.531	66%	0.664	S	S	.	*	H	α-helix	trans	-86.9	-13.9	175.9	76.6	0	0	0	0	113.9	I80 Y81 E82 P86	I80-S84 PolarHBondContact O-N 2.88Å; Y81-S84 PolarHBondContact O-N 3.18Å; Y81-S84 VanDerWaalsContact O-N 3.12Å; Y81-S84 PolarHBondContact O-OG 3.42Å; E82-S84 PolarHBondContact O-N 2.93Å; S84-P86 WeakPolarHBondContact O-CD 3.21Å
85	L	40.4	Very low	39.3	Very low	101 Å²	101	130 Å²	130	53%	0.529	69%	0.691	S	S	.	*	S	Bend	trans	-63.6	120.9	168.4	-73.3	168.3	0	0	0	106.6	Y81 E82 R87	Y81-L85 PolarHBondContact O-N 3.02Å; E82-L85 HydrophobicContact CG-CD1 4.46Å; E82-L85 PolarHBondContact O-N 3.47Å; L85-R87 PolarHBondContact O-N 3.43Å
86	P	37.2	Very low	38.7	Very low	113 Å²	113	134.4 Å²	134.4	73%	0.734	70%	0.704	S	S	*	*			trans	-56.2	108.2	176	21.2	-29.1	0	0	0	105.7	S84 Q88	S84-P86 WeakPolarHBondContact O-CD 3.21Å; P86-Q88 PolarHBondContact O-N 3.03Å
87	R	45.5	Very low	38.7	Very low	227 Å²	227	131.1 Å²	131.1	86%	0.857	71%	0.707	S	S	*	*			trans	-51.4	105.2	169.1	-80.6	-179.3	170.2	177.9	-2.8	103.7	L85 T89	L85-R87 PolarHBondContact O-N 3.43Å; R87-T89 PolarHBondContact O-N 3.12Å
88	Q	37.7	Very low	38.5	Very low	178 Å²	178	135.5 Å²	135.5	83%	0.832	72%	0.718	S	S	*	*			trans	-55.7	99.4	168.5	-75.7	-178.8	-8.7	0	0	103.4	P86 T90	P86-Q88 PolarHBondContact O-N 3.03Å; Q88-T90 PolarHBondContact O-N 3.3Å
89	T	31.4	Very low	38.2	Very low	128 Å²	128	134.1 Å²	134.1	79%	0.785	73%	0.727	S	S	*	*			trans	-60.2	89.7	170.6	40.8	0	0	0	0	103.7	R87 T91	R87-T89 PolarHBondContact O-N 3.12Å; T89-T91 PolarHBondContact O-N 3.46Å
90	T	40.4	Very low	37.8	Very low	125 Å²	125	135 Å²	135	77%	0.767	73%	0.729	S	S	*	*			trans	-58.9	99.3	163.9	46.4	0	0	0	0	104.5	Q88 D92	Q88-T90 PolarHBondContact O-N 3.3Å; T90-D92 PolarHBondContact O-N 3.17Å
91	T	33.8	Very low	37.6	Very low	129 Å²	129	139.8 Å²	139.8	79%	0.791	75%	0.746	S	S	*	*			trans	-26.9	116.3	173	35.6	0	0	0	0	112.3	T89 A93	T89-T91 PolarHBondContact O-N 3.46Å; T91-A93 PolarHBondContact O-N 3.35Å
92	D	31.8	Very low	37.4	Very low	164 Å²	164	140.1 Å²	140.1	88%	0.877	75%	0.751	S	S	*	*			trans	-47.9	117.5	159.2	-75	-55.8	0	0	0	110.5	T90	T90-D92 PolarHBondContact O-N 3.17Å
93	A	37	Very low	37.1	Very low	87 Å²	87	142.1 Å²	142.1	72%	0.719	76%	0.76	S	S	*	*			trans	-140.6	61.5	161.1	0	0	0	0	0	109.1	T91	T91-A93 PolarHBondContact O-N 3.35Å
94	T	35.5	Very low	36.6	Very low	138 Å²	138	143 Å²	143	85%	0.847	76%	0.76	S	S	*	*	S	Bend	trans	156.6	86.3	141.7	37.7	0	0	0	0	111.6	K96	T94-K96 PolarHBondContact O-N 2.77Å
95	D	32.6	Very low	36.7	Very low	132 Å²	132	145 Å²	145	71%	0.706	77%	0.771	S	S	*	*				34.1	86.4	127.8	-155.8	24.9	0	0	0	118.2
96	K	31.6	Very low	36.8	Very low	168 Å²	168	151.7 Å²	151.7	73%	0.73	79%	0.789	S	S	*	*				163.5	116.9	112.5	-86.7	167.2	-169.6	175.4	0	110.9	T94 R98	T94-K96 PolarHBondContact O-N 2.77Å; K96-R98 VanDerWaalsContact C-N 3.28Å; K96-R98 PolarHBondContact O-N 2.75Å
97	P	40.4	Very low	37.1	Very low	125 Å²	125	147.9 Å²	147.9	81%	0.812	77%	0.771	S	S	*	*			trans	-78.1	79.9	176.5	32.8	-31.7	0	0	0	109.3	T99	P97-T99 PolarHBondContact O-N 2.7Å
98	R	37.7	Very low	36.9	Very low	228 Å²	228	147.3 Å²	147.3	86%	0.86	77%	0.769	S	S	*	*			trans	-82	91.7	162.7	-110.5	-178.8	173.8	-178.4	-1.4	107.6	K96 S100	K96-R98 VanDerWaalsContact C-N 3.28Å; K96-R98 PolarHBondContact O-N 2.75Å; R98-S100 PolarHBondContact O-N 3.31Å
99	T	35.7	Very low	37.1	Very low	136 Å²	136	141.4 Å²	141.4	83%	0.834	75%	0.747	S	S	*	*			trans	-63.8	65.9	164.4	55.1	0	0	0	0	109.9	P97	P97-T99 PolarHBondContact O-N 2.7Å
100	S	34.7	Very low	37.8	Very low	76 Å²	76	139.8 Å²	139.8	53%	0.531	73%	0.734	S	S	.	*			trans	-86.5	111.2	160	66	0	0	0	0	106.2	R98 K102	R98-S100 PolarHBondContact O-N 3.31Å; S100-K102 PolarHBondContact O-N 2.9Å
101	K	38.5	Very low	38.2	Very low	212 Å²	212	139.3 Å²	139.3	92%	0.922	73%	0.725	S	S	*	*			trans	-56.2	74.5	165	-66.9	175.4	177.1	177.3	0	109.2
102	K	37.1	Very low	38.9	Very low	176 Å²	176	140 Å²	140	77%	0.765	72%	0.721	S	S	*	*			trans	-101.7	76.4	164.9	-71.8	-159.1	177.5	-172.1	0	106	S100 C104	S100-K102 PolarHBondContact O-N 2.9Å; K102-C104 PolarHBondContact O-N 3.23Å; K102-C104 VanDerWaalsContact O-N 3.13Å
103	Q	36.1	Very low	40.1	Very low	184 Å²	184	138.2 Å²	138.2	86%	0.86	71%	0.707	S	S	*	*			trans	18.7	92.1	135.8	-158.1	168.8	17.4	0	0	111.6	P105	Q103-P105 WeakPolarHBondContact O-CD 3.22Å; Q103-P105 VanDerWaalsContact O-N 3.1Å
104	C	33	Very low	40.9	Very low	100 Å²	100	138.8 Å²	138.8	68%	0.676	70%	0.698	S	S	*	*			trans	-46.7	123.4	171.6	-62.3	0	0	0	0	107.1	K102 R106	K102-C104 PolarHBondContact O-N 3.23Å; K102-C104 VanDerWaalsContact O-N 3.13Å; C104-R106 VanDerWaalsContact C-N 3.25Å; C104-R106 PolarHBondContact O-N 2.96Å
105	P	42.4	Very low	42.1	Very low	117 Å²	117	134.3 Å²	134.3	76%	0.76	68%	0.675	S	S	*	*			trans	-62.5	98.4	173	-0.6	9.7	0	0	0	106.6	Q103 G107	Q103-P105 WeakPolarHBondContact O-CD 3.22Å; Q103-P105 VanDerWaalsContact O-N 3.1Å; P105-G107 PolarHBondContact O-N 3.48Å
106	R	42.6	Very low	43.4	Very low	242 Å²	242	134.1 Å²	134.1	91%	0.913	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-41.3	122	174.5	-99	174.8	165.1	168.2	-5.1	108.7	C104	C104-R106 VanDerWaalsContact C-N 3.25Å; C104-R106 PolarHBondContact O-N 2.96Å
107	G	43.3	Very low	44.8	Very low	33 Å²	33	130.4 Å²	130.4	34%	0.34	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	120.1	-10	152.2	0	0	0	0	0	117.9	P105 I111	P105-G107 PolarHBondContact O-N 3.48Å; G107-I111 WeakPolarHBondContact O-CD1 3.48Å; G107-I111 VanDerWaalsContact O-CG1 3.32Å; G107-I111 WeakPolarHBondContact O-CG1 3.25Å
108	R	41.2	Very low	45.8	Very low	216 Å²	216	131.1 Å²	131.1	82%	0.815	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	-40.5	173.5	-75	-168.1	172.8	-176.3	-0.9	114.4	D110 I111 M112	R108-D110 VanDerWaalsContact C-N 3.32Å; R108-D110 PolarHBondContact O-N 3.49Å; R108-I111 PolarHBondContact O-N 3.36Å; R108-M112 PolarHBondContact O-N 3.45Å; R108-M112 VanDerWaalsContact O-N 3.11Å
109	S	42.9	Very low	46.9	Very low	53 Å²	53	128.5 Å²	128.5	37%	0.371	64%	0.635	S	S	.	*	H	α-helix	trans	-60.1	-45.2	175.1	49.7	0	0	0	0	111.1	I111 M112 E113	S109-I111 VanDerWaalsContact C-N 3.3Å; S109-I111 PolarHBondContact O-N 2.91Å; S109-M112 PolarHBondContact O-N 2.81Å; S109-M112 VanDerWaalsContact O-N 3.13Å; S109-E113 PolarHBondContact O-N 2.82Å
110	D	45.3	Very low	48	Very low	95 Å²	95	125.9 Å²	125.9	51%	0.508	62%	0.616	S	S	.	*	H	α-helix	trans	-67.4	-34.7	-175.4	-54.8	-1.2	0	0	0	110.8	R108 L114	R108-D110 VanDerWaalsContact C-N 3.32Å; R108-D110 PolarHBondContact O-N 3.49Å; D110-L114 WeakPolarHBondContact O-CB 3.28Å; D110-L114 PolarHBondContact O-N 2.75Å
111	I	48.2	Very low	49.1	Very low	114 Å²	114	126.8 Å²	126.8	59%	0.585	61%	0.614	S	S	*	*	H	α-helix	trans	-69	-41.3	175	-61.2	179	0	0	0	110.5	G107 R108 S109 L114 A115	G107-I111 WeakPolarHBondContact O-CD1 3.48Å; G107-I111 VanDerWaalsContact O-CG1 3.32Å; G107-I111 WeakPolarHBondContact O-CG1 3.25Å; R108-I111 PolarHBondContact O-N 3.36Å; S109-I111 VanDerWaalsContact C-N 3.3Å; S109-I111 PolarHBondContact O-N 2.91Å; I111-L114 PolarHBondContact O-N 3.47Å; I111-A115 WeakPolarHBondContact O-CB 3.44Å; I111-A115 PolarHBondContact O-N 3.06Å
112	M	48.7	Very low	50	Low	143 Å²	143	124.6 Å²	124.6	70%	0.704	61%	0.605	S	S	*	*	H	α-helix	trans	-64.6	-41.9	176.1	-77.9	-176.2	54	0	0	111.9	R108 S109 A115 K116	R108-M112 PolarHBondContact O-N 3.45Å; R108-M112 VanDerWaalsContact O-N 3.11Å; S109-M112 PolarHBondContact O-N 2.81Å; S109-M112 VanDerWaalsContact O-N 3.13Å; M112-A115 PolarHBondContact O-N 2.85Å; M112-K116 WeakPolarHBondContact O-CB 3.25Å; M112-K116 PolarHBondContact O-N 2.74Å
113	E	56.8	Low	51.2	Low	127 Å²	127	118.3 Å²	118.3	59%	0.593	59%	0.59	S	S	*	*	H	α-helix	trans	-65.1	-44	174.1	-74.6	-169.3	178.3	0	0	111.2	S109 A115 K116 I117	S109-E113 PolarHBondContact O-N 2.82Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 2.89Å; E113-K116 WeakPolarHBondContact O-CB 3.36Å; E113-K116 PolarHBondContact O-N 2.74Å; E113-I117 WeakPolarHBondContact O-CB 3.49Å; E113-I117 WeakPolarHBondContact O-CD1 3.49Å; E113-I117 WeakPolarHBondContact O-CG1 3.39Å; E113-I117 PolarHBondContact O-N 3.03Å
114	L	55.5	Low	52.2	Low	99 Å²	99	113.4 Å²	113.4	52%	0.518	57%	0.569	S	S	.	*	H	α-helix	trans	-64.7	-37.2	176.9	-150.3	102.6	0	0	0	111.8	D110 I111 I117 K118	D110-L114 WeakPolarHBondContact O-CB 3.28Å; D110-L114 PolarHBondContact O-N 2.75Å; I111-L114 PolarHBondContact O-N 3.47Å; L114-I117 PolarHBondContact O-N 2.84Å; L114-K118 WeakPolarHBondContact O-CB 3.44Å; L114-K118 WeakPolarHBondContact O-CG 3.34Å; L114-K118 PolarHBondContact O-N 3.21Å
115	A	59.6	Low	53.3	Low	44 Å²	44	115.5 Å²	115.5	36%	0.364	57%	0.566	S	S	.	*	H	α-helix	trans	-68.3	-39	175.4	0	0	0	0	0	111.4	I111 M112 E113 K118 R119	I111-A115 WeakPolarHBondContact O-CB 3.44Å; I111-A115 PolarHBondContact O-N 3.06Å; M112-A115 PolarHBondContact O-N 2.85Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 2.89Å; A115-K118 PolarHBondContact O-N 3.29Å; A115-R119 WeakPolarHBondContact O-CB 3.26Å; A115-R119 PolarHBondContact O-N 2.84Å
116	K	60.4	Low	53.8	Low	128 Å²	128	113.5 Å²	113.5	56%	0.557	55%	0.553	S	S	*	*	H	α-helix	trans	-63.9	-48.2	172.9	-170.2	-179.2	176.8	-172.1	0	110.6	M112 E113 K118 R119 D120	M112-K116 WeakPolarHBondContact O-CB 3.25Å; M112-K116 PolarHBondContact O-N 2.74Å; E113-K116 WeakPolarHBondContact O-CB 3.36Å; E113-K116 PolarHBondContact O-N 2.74Å; K116-K118 VanDerWaalsContact C-N 3.34Å; K116-K118 PolarHBondContact O-N 3.29Å; K116-R119 WeakPolarHBondContact O-CB 3.44Å; K116-R119 PolarHBondContact O-N 3.34Å; K116-R119 VanDerWaalsContact O-N 3.07Å; K116-D120 WeakPolarHBondContact O-CB 3.31Å; K116-D120 PolarHBondContact O-N 3.5Å
117	I	61.1	Low	54.4	Low	90 Å²	90	111.1 Å²	111.1	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-58.8	-44.1	175.4	-67.7	162.5	0	0	0	111	E113 L114 R119 D120 L121	E113-I117 WeakPolarHBondContact O-CB 3.49Å; E113-I117 WeakPolarHBondContact O-CD1 3.49Å; E113-I117 WeakPolarHBondContact O-CG1 3.39Å; E113-I117 PolarHBondContact O-N 3.03Å; L114-I117 PolarHBondContact O-N 2.84Å; I117-R119 VanDerWaalsContact C-N 3.34Å; I117-R119 PolarHBondContact O-N 3.03Å; I117-D120 PolarHBondContact O-N 2.96Å; I117-L121 HydrophobicContact CG2-CD1 3.87Å; I117-L121 HydrophobicContact CG2-CG 4.35Å; I117-L121 VanDerWaalsContact O-CB 3.31Å; I117-L121 WeakPolarHBondContact O-CB 3.48Å; I117-L121 VanDerWaalsContact O-CG 3.32Å; I117-L121 WeakPolarHBondContact O-CG 2.92Å; I117-L121 PolarHBondContact O-N 3.37Å
118	K	60.7	Low	54.9	Low	140 Å²	140	113.9 Å²	113.9	61%	0.609	55%	0.55	S	S	*	*	H	α-helix	trans	-62.1	-40.1	175.3	-82	-177.5	178	-178.7	0	112	L114 A115 K116 K122	L114-K118 WeakPolarHBondContact O-CB 3.44Å; L114-K118 WeakPolarHBondContact O-CG 3.34Å; L114-K118 PolarHBondContact O-N 3.21Å; A115-K118 PolarHBondContact O-N 3.29Å; K116-K118 VanDerWaalsContact C-N 3.34Å; K116-K118 PolarHBondContact O-N 3.29Å; K118-K122 WeakPolarHBondContact O-CB 3.32Å; K118-K122 PolarHBondContact O-N 2.78Å
119	R	60.7	Low	55.4	Low	174 Å²	174	108.6 Å²	108.6	66%	0.657	54%	0.538	S	S	*	.	H	α-helix	trans	-67	-43.9	176.9	-168.2	-176.7	-69.4	120	-4.6	111	A115 K116 I117 K122 G123	A115-R119 WeakPolarHBondContact O-CB 3.26Å; A115-R119 PolarHBondContact O-N 2.84Å; K116-R119 WeakPolarHBondContact O-CB 3.44Å; K116-R119 PolarHBondContact O-N 3.34Å; K116-R119 VanDerWaalsContact O-N 3.07Å; I117-R119 VanDerWaalsContact C-N 3.34Å; I117-R119 PolarHBondContact O-N 3.03Å; R119-K122 WeakPolarHBondContact O-CB 3.48Å; R119-K122 PolarHBondContact O-N 3.39Å; R119-G123 PolarHBondContact O-N 3.36Å
120	D	60.3	Low	55.9	Low	81 Å²	81	112 Å²	112	43%	0.433	55%	0.548	S	S	.	.	H	α-helix	trans	-65.5	-44.3	178.7	-65.1	-15.3	0	0	0	110.5	K116 I117 K122 G123 I124	K116-D120 WeakPolarHBondContact O-CB 3.31Å; K116-D120 PolarHBondContact O-N 3.5Å; I117-D120 PolarHBondContact O-N 2.96Å; D120-K122 VanDerWaalsContact C-N 3.31Å; D120-K122 PolarHBondContact O-N 3.47Å; D120-G123 CarbonylContact O-C 3.54Å; D120-G123 WeakPolarHBondContact O-CA 3.47Å; D120-G123 PolarHBondContact O-N 3.46Å; D120-I124 VanDerWaalsContact O-CG1 3.25Å; D120-I124 WeakPolarHBondContact O-CG1 3.43Å; D120-I124 PolarHBondContact O-N 2.82Å
121	L	55.8	Low	56.2	Low	94 Å²	94	110 Å²	110	49%	0.492	55%	0.545	S	S	.	.	H	α-helix	trans	-60.9	-37.9	172.8	-77.1	171.3	0	0	0	112.5	I117 G123 I124 K125	I117-L121 HydrophobicContact CG2-CD1 3.87Å; I117-L121 HydrophobicContact CG2-CG 4.35Å; I117-L121 VanDerWaalsContact O-CB 3.31Å; I117-L121 WeakPolarHBondContact O-CB 3.48Å; I117-L121 VanDerWaalsContact O-CG 3.32Å; I117-L121 WeakPolarHBondContact O-CG 2.92Å; I117-L121 PolarHBondContact O-N 3.37Å; L121-G123 VanDerWaalsContact C-N 3.29Å; L121-G123 PolarHBondContact O-N 2.69Å; L121-I124 PolarHBondContact O-N 3.19Å; L121-K125 WeakPolarHBondContact O-CG 3.46Å; L121-K125 PolarHBondContact O-N 2.82Å
122	K	59.2	Low	56.3	Low	167 Å²	167	108.6 Å²	108.6	73%	0.726	54%	0.537	S	S	*	.	H	α-helix	trans	-67	-31	174.1	-168.1	176.6	-179.2	-178.9	0	111.9	K118 R119 D120 P126	K118-K122 WeakPolarHBondContact O-CB 3.32Å; K118-K122 PolarHBondContact O-N 2.78Å; R119-K122 WeakPolarHBondContact O-CB 3.48Å; R119-K122 PolarHBondContact O-N 3.39Å; D120-K122 VanDerWaalsContact C-N 3.31Å; D120-K122 PolarHBondContact O-N 3.47Å; K122-P126 WeakPolarHBondContact O-CD 3.49Å
123	G	60.4	Low	56.1	Low	43 Å²	43	106.9 Å²	106.9	44%	0.443	53%	0.531	S	S	.	.	H	α-helix	trans	-76.8	-30.1	172.6	0	0	0	0	0	113.9	R119 D120 L121 P126	R119-G123 PolarHBondContact O-N 3.36Å; D120-G123 CarbonylContact O-C 3.54Å; D120-G123 WeakPolarHBondContact O-CA 3.47Å; D120-G123 PolarHBondContact O-N 3.46Å; L121-G123 VanDerWaalsContact C-N 3.29Å; L121-G123 PolarHBondContact O-N 2.69Å; G123-P126 WeakPolarHBondContact O-CD 3.19Å
124	I	57.2	Low	55.9	Low	81 Å²	81	104.7 Å²	104.7	42%	0.415	53%	0.526	S	S	.	.	H	α-helix	trans	-74.8	-38	177.7	-68.1	162.5	0	0	0	111.4	D120 L121 R127 I128	D120-I124 VanDerWaalsContact O-CG1 3.25Å; D120-I124 WeakPolarHBondContact O-CG1 3.43Å; D120-I124 PolarHBondContact O-N 2.82Å; L121-I124 PolarHBondContact O-N 3.19Å; I124-R127 WeakPolarHBondContact O-CB 3.36Å; I124-R127 PolarHBondContact O-N 3.49Å; I124-I128 HydrophobicContact CG2-CD1 3.49Å; I124-I128 VanDerWaalsContact CG2-CD1 3.49Å; I124-I128 HydrophobicContact CG2-CG1 3.85Å; I124-I128 WeakPolarHBondContact O-CG1 3.45Å; I124-I128 PolarHBondContact O-N 3.21Å
125	K	57.5	Low	55.2	Low	145 Å²	145	103 Å²	103	63%	0.63	52%	0.522	S	S	*	.	H	α-helix	trans	-52.6	-48.6	179.9	-82.9	-178.4	-179.3	-175.3	0	114.1	L121 R127 I128 L129	L121-K125 WeakPolarHBondContact O-CG 3.46Å; L121-K125 PolarHBondContact O-N 2.82Å; K125-R127 VanDerWaalsContact C-N 3.35Å; K125-R127 PolarHBondContact O-N 2.79Å; K125-I128 PolarHBondContact O-N 2.97Å; K125-L129 PolarHBondContact O-N 2.88Å
126	P	52.6	Low	54.2	Low	74 Å²	74	104.8 Å²	104.8	48%	0.481	53%	0.532	S	S	.	.	H	α-helix	trans	-59.1	-42.3	174.5	-23.8	30.3	0	0	0	112.9	K122 G123 I128 L129 E130	K122-P126 WeakPolarHBondContact O-CD 3.49Å; G123-P126 WeakPolarHBondContact O-CD 3.19Å; P126-I128 PolarHBondContact O-N 2.81Å; P126-L129 WeakPolarHBondContact O-CB 3.36Å; P126-L129 PolarHBondContact O-N 2.93Å; P126-E130 WeakPolarHBondContact O-CB 3.35Å; P126-E130 PolarHBondContact O-N 3.46Å
127	R	56	Low	53.1	Low	192 Å²	192	103.1 Å²	103.1	73%	0.725	54%	0.535	S	S	*	.	H	α-helix	trans	-65.4	-38.8	178.8	-75.6	-175.6	151.3	-166.3	-6	112.4	I124 K125 E130 A131	I124-R127 WeakPolarHBondContact O-CB 3.36Å; I124-R127 PolarHBondContact O-N 3.49Å; K125-R127 VanDerWaalsContact C-N 3.35Å; K125-R127 PolarHBondContact O-N 2.79Å; R127-E130 PolarHBondContact O-N 3.41Å; R127-A131 WeakPolarHBondContact O-CB 3.19Å; R127-A131 PolarHBondContact O-N 2.74Å
128	I	52.6	Low	52	Low	91 Å²	91	103.8 Å²	103.8	47%	0.467	54%	0.543	S	S	.	.	H	α-helix	trans	-65.9	-43.1	173.8	-65.6	175.7	0	0	0	110.1	I124 K125 P126 E130 A131 I132	I124-I128 HydrophobicContact CG2-CD1 3.49Å; I124-I128 VanDerWaalsContact CG2-CD1 3.49Å; I124-I128 HydrophobicContact CG2-CG1 3.85Å; I124-I128 WeakPolarHBondContact O-CG1 3.45Å; I124-I128 PolarHBondContact O-N 3.21Å; K125-I128 PolarHBondContact O-N 2.97Å; P126-I128 PolarHBondContact O-N 2.81Å; I128-E130 VanDerWaalsContact C-N 3.34Å; I128-E130 PolarHBondContact O-N 3.07Å; I128-A131 PolarHBondContact O-N 2.8Å; I128-I132 HydrophobicContact CG2-CD1 3.86Å; I128-I132 HydrophobicContact CG2-CG1 4.45Å; I128-I132 VanDerWaalsContact O-CG1 3.28Å; I128-I132 WeakPolarHBondContact O-CG1 3.18Å; I128-I132 PolarHBondContact O-N 2.84Å
129	L	52.3	Low	50.8	Low	105 Å²	105	104.9 Å²	104.9	55%	0.55	55%	0.55	S	S	.	*	H	α-helix	trans	-62.2	-40.4	175.9	-80.5	162.5	0	0	0	112.3	K125 P126 I132 N133	K125-L129 PolarHBondContact O-N 2.88Å; P126-L129 WeakPolarHBondContact O-CB 3.36Å; P126-L129 PolarHBondContact O-N 2.93Å; L129-I132 PolarHBondContact O-N 3.13Å; L129-N133 WeakPolarHBondContact O-CB 3.47Å; L129-N133 PolarHBondContact O-N 3.36Å
130	E	52.6	Low	49.7	Very low	126 Å²	126	100.6 Å²	100.6	59%	0.589	55%	0.552	S	S	*	*	H	α-helix	trans	-65.7	-42.4	175.1	-172.4	176.5	-166.7	0	0	111.7	P126 R127 I128 I132 N133 T134	P126-E130 WeakPolarHBondContact O-CB 3.35Å; P126-E130 PolarHBondContact O-N 3.46Å; R127-E130 PolarHBondContact O-N 3.41Å; I128-E130 VanDerWaalsContact C-N 3.34Å; I128-E130 PolarHBondContact O-N 3.07Å; E130-I132 VanDerWaalsContact C-N 3.32Å; E130-I132 PolarHBondContact O-N 3.11Å; E130-N133 PolarHBondContact O-N 3.4Å; E130-T134 WeakPolarHBondContact O-CB 3.35Å; E130-T134 WeakPolarHBondContact O-CG2 3.4Å; E130-T134 PolarHBondContact O-N 2.79Å; E130-T134 PolarHBondContact O-OG1 3.15Å
131	A	51.1	Low	48.7	Very low	53 Å²	53	102 Å²	102	44%	0.438	56%	0.564	S	S	.	*	H	α-helix	trans	-62.3	-39.3	173.8	0	0	0	0	0	111.9	R127 I128 T134 S135	R127-A131 WeakPolarHBondContact O-CB 3.19Å; R127-A131 PolarHBondContact O-N 2.74Å; I128-A131 PolarHBondContact O-N 2.8Å; A131-T134 WeakPolarHBondContact CA-OG1 3.5Å; A131-T134 PolarHBondContact O-OG1 3.39Å; A131-S135 VanDerWaalsContact O-CB 3.23Å; A131-S135 WeakPolarHBondContact O-CB 3.08Å; A131-S135 PolarHBondContact O-N 3Å; A131-S135 PolarHBondContact O-OG 2.68Å
132	I	50.7	Low	47.9	Very low	84 Å²	84	101.6 Å²	101.6	43%	0.431	57%	0.574	S	S	.	*	H	α-helix	trans	-67.4	-48	176.5	-69.4	167.5	0	0	0	110.3	I128 L129 E130 T134 S135 C136	I128-I132 HydrophobicContact CG2-CD1 3.86Å; I128-I132 HydrophobicContact CG2-CG1 4.45Å; I128-I132 VanDerWaalsContact O-CG1 3.28Å; I128-I132 WeakPolarHBondContact O-CG1 3.18Å; I128-I132 PolarHBondContact O-N 2.84Å; L129-I132 PolarHBondContact O-N 3.13Å; E130-I132 VanDerWaalsContact C-N 3.32Å; E130-I132 PolarHBondContact O-N 3.11Å; I132-T134 VanDerWaalsContact C-N 3.34Å; I132-T134 PolarHBondContact O-N 3.43Å; I132-S135 WeakPolarHBondContact CA-OG 3.23Å; I132-S135 PolarHBondContact O-N 2.82Å; I132-S135 VanDerWaalsContact O-N 3.17Å; I132-S135 PolarHBondContact O-OG 2.76Å; I132-C136 PolarHBondContact O-N 3.13Å
133	N	45.9	Very low	47	Very low	107 Å²	107	103.1 Å²	103.1	57%	0.572	58%	0.58	S	S	*	*	H	α-helix	trans	-62.6	-40.1	179.2	-78.3	-20	0	0	0	112.2	L129 E130 C137	L129-N133 WeakPolarHBondContact O-CB 3.47Å; L129-N133 PolarHBondContact O-N 3.36Å; E130-N133 PolarHBondContact O-N 3.4Å; N133-C137 PolarHBondContact O-N 3.19Å; N133-C137 PolarHBondContact O-SG 3.47Å; N133-C137 VanDerWaalsContact O-SG 3.38Å
134	T	50.9	Low	46.1	Very low	80 Å²	80	109.1 Å²	109.1	49%	0.491	60%	0.597	S	S	.	*	H	α-helix	trans	-67.7	-39.7	174.1	50.7	0	0	0	0	111.4	E130 A131 I132 C137 V138	E130-T134 WeakPolarHBondContact O-CB 3.35Å; E130-T134 WeakPolarHBondContact O-CG2 3.4Å; E130-T134 PolarHBondContact O-N 2.79Å; E130-T134 PolarHBondContact O-OG1 3.15Å; A131-T134 WeakPolarHBondContact CA-OG1 3.5Å; A131-T134 PolarHBondContact O-OG1 3.39Å; I132-T134 VanDerWaalsContact C-N 3.34Å; I132-T134 PolarHBondContact O-N 3.43Å; T134-C137 PolarHBondContact O-N 2.87Å; T134-V138 WeakPolarHBondContact O-CG2 3.32Å; T134-V138 PolarHBondContact O-N 3Å
135	S	42.5	Very low	45	Very low	63 Å²	63	114.3 Å²	114.3	44%	0.441	62%	0.619	S	S	.	*	H	α-helix	trans	-66.9	-35.5	177	74.1	0	0	0	0	113.9	A131 I132 C137 V138 Q139	A131-S135 VanDerWaalsContact O-CB 3.23Å; A131-S135 WeakPolarHBondContact O-CB 3.08Å; A131-S135 PolarHBondContact O-N 3Å; A131-S135 PolarHBondContact O-OG 2.68Å; I132-S135 WeakPolarHBondContact CA-OG 3.23Å; I132-S135 PolarHBondContact O-N 2.82Å; I132-S135 VanDerWaalsContact O-N 3.17Å; I132-S135 PolarHBondContact O-OG 2.76Å; S135-C137 VanDerWaalsContact C-N 3.3Å; S135-C137 PolarHBondContact O-N 3.01Å; S135-V138 PolarHBondContact O-N 3.17Å; S135-Q139 PolarHBondContact O-N 3.06Å
136	C	37.2	Very low	44.1	Very low	83 Å²	83	111 Å²	111	56%	0.561	63%	0.626	S	S	*	*	H	α-helix	trans	-64.2	-35.4	173.7	-98	0	0	0	0	111.7	I132 V138	I132-C136 PolarHBondContact O-N 3.13Å; C136-V138 VanDerWaalsContact C-N 3.33Å; C136-V138 PolarHBondContact O-N 3.02Å
137	C	37.6	Very low	43.3	Very low	93 Å²	93	119.6 Å²	119.6	63%	0.628	66%	0.66	S	S	*	*	H	α-helix	trans	-71.4	-25.8	176	-67.9	0	0	0	0	113.1	N133 T134 S135	N133-C137 PolarHBondContact O-N 3.19Å; N133-C137 PolarHBondContact O-SG 3.47Å; N133-C137 VanDerWaalsContact O-SG 3.38Å; T134-C137 PolarHBondContact O-N 2.87Å; S135-C137 VanDerWaalsContact C-N 3.3Å; S135-C137 PolarHBondContact O-N 3.01Å
138	V	37.3	Very low	42.7	Very low	103 Å²	103	116 Å²	116	62%	0.624	66%	0.656	S	S	*	*	H	α-helix	trans	-77.8	-24.8	178.5	-178.5	0	0	0	0	112.1	T134 S135 C136	T134-V138 WeakPolarHBondContact O-CG2 3.32Å; T134-V138 PolarHBondContact O-N 3Å; S135-V138 PolarHBondContact O-N 3.17Å; C136-V138 VanDerWaalsContact C-N 3.33Å; C136-V138 PolarHBondContact O-N 3.02Å
139	Q	36.6	Very low	42.1	Very low	164 Å²	164	117.3 Å²	117.3	77%	0.766	67%	0.666	S	S	*	*	H	α-helix	trans	-82	-20.4	178	-72.5	-165.7	-19.3	0	0	114.2	S135	S135-Q139 PolarHBondContact O-N 3.06Å
140	A	37.5	Very low	41.6	Very low	83 Å²	83	118 Å²	118	69%	0.686	67%	0.673	S	S	*	*	H	α-helix	trans	-75.1	-24.2	179.9	0	0	0	0	0	113.4
141	T	38.7	Very low	40.9	Very low	111 Å²	111	117.5 Å²	117.5	68%	0.681	68%	0.678	S	S	*	*	S	Bend	trans	-92.8	-3.9	-179	50.2	0	0	0	0	114.2	K143	T141-K143 PolarHBondContact O-N 3.05Å
142	A	39	Very low	40.3	Very low	85 Å²	85	121.6 Å²	121.6	70%	0.702	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	9.7	-179	0	0	0	0	0	114.6
143	K	41.6	Very low	39.6	Very low	200 Å²	200	124.1 Å²	124.1	87%	0.87	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	11.9	-177.2	-100.5	-171.8	178.5	-175.2	0	116.4	T141	T141-K143 PolarHBondContact O-N 3.05Å
144	E	41.6	Very low	39.1	Very low	169 Å²	169	125.3 Å²	125.3	79%	0.79	72%	0.72	S	S	*	*	S	Bend	trans	-116.7	91.7	162.1	-76.1	-165.3	158.4	0	0	109
145	H	32.8	Very low	38.2	Very low	190 Å²	190	128.8 Å²	128.8	88%	0.88	74%	0.738	S	S	*	*			trans	168.2	108.2	143.9	-86.3	-39.1	0	0	0	109.9
146	G	39.3	Very low	37.9	Very low	76 Å²	76	134.3 Å²	134.3	78%	0.784	76%	0.762	S	S	*	*			trans	179.9	84.8	172.6	0	0	0	0	0	107.8
147	H	35.4	Very low	38	Very low	254 Å²	254	138.9 Å²	138.9	100%	1.176	78%	0.781	S	S	*	*			trans	-44.1	0	-179.2	-81.9	-95.9	0	0	0	115.3

Retrieved 147 of 147 residues in 107.3 ms (Link to these results)

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