A0A077ZNS3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZNS3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 222 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	22.8	Very low	26.4	Very low	243 Å²	243	123 Å²	123	100%	1.197	66%	0.655	S	S	*	*				0	91.4	0	-72.1	179.6	173.8	0	0	109.3	R3	M1-R3 PolarHBondContact O-N 3.14Å
2	C	21.4	Very low	26.7	Very low	134 Å²	134	113.6 Å²	113.6	91%	0.905	61%	0.607	S	S	*	*			trans	-86.8	108.8	174.8	-80.9	0	0	0	0	109.2	K4	C2-K4 PolarHBondContact O-N 3.47Å
3	R	20.3	Very low	27.4	Very low	239 Å²	239	112.5 Å²	112.5	90%	0.902	61%	0.607	S	S	*	*			trans	-60.1	120.3	169.8	-69.7	179.6	177.9	-179.7	-0.8	107.5	M1 A5	M1-R3 PolarHBondContact O-N 3.14Å; R3-A5 PolarHBondContact O-N 3.45Å
4	K	22.8	Very low	28	Very low	210 Å²	210	106 Å²	106	91%	0.913	57%	0.573	S	S	*	*			trans	-64	82.1	166.8	-72.6	178.8	178	177.1	0	107.3	C2 G6	C2-K4 PolarHBondContact O-N 3.47Å; K4-G6 VanDerWaalsContact C-N 3.28Å; K4-G6 PolarHBondContact O-N 3.49Å
5	A	22.7	Very low	28.6	Very low	85 Å²	85	102.4 Å²	102.4	70%	0.702	55%	0.553	S	S	*	*			trans	-60.4	103.7	161	0	0	0	0	0	104.6	R3 L7	R3-A5 PolarHBondContact O-N 3.45Å; A5-L7 VanDerWaalsContact C-N 3.31Å; A5-L7 PolarHBondContact O-N 3.3Å
6	G	22.8	Very low	28.7	Very low	65 Å²	65	98.2 Å²	98.2	67%	0.67	54%	0.541	S	S	*	.			trans	-52	104.9	171.6	0	0	0	0	0	105.9	K4 V8	K4-G6 VanDerWaalsContact C-N 3.28Å; K4-G6 PolarHBondContact O-N 3.49Å; G6-V8 PolarHBondContact O-N 3.09Å
7	L	25.3	Very low	28.6	Very low	132 Å²	132	97.8 Å²	97.8	69%	0.691	53%	0.53	S	S	*	.			trans	-71.6	80.1	-178.2	-161.8	95.5	0	0	0	105.1	A5 R9	A5-L7 VanDerWaalsContact C-N 3.31Å; A5-L7 PolarHBondContact O-N 3.3Å; L7-R9 HydrophobicContact CD2-CG 3.68Å; L7-R9 HydrophobicContact CG-CG 4.29Å; L7-R9 PolarHBondContact O-N 3.38Å
8	V	25.1	Very low	28.4	Very low	105 Å²	105	94.7 Å²	94.7	64%	0.636	52%	0.516	S	S	*	.			trans	-62.1	91.4	165.7	-179.9	0	0	0	0	104	G6 S10	G6-V8 PolarHBondContact O-N 3.09Å; V8-S10 PolarHBondContact O-N 3.18Å
9	R	33.8	Very low	28.2	Very low	119 Å²	119	93.1 Å²	93.1	45%	0.449	51%	0.51	S	S	.	.			trans	-62.4	130.4	177.8	-74.7	-179.8	170.7	153.6	2.5	106	L7 I11 V14	L7-R9 HydrophobicContact CD2-CG 3.68Å; L7-R9 HydrophobicContact CG-CG 4.29Å; L7-R9 PolarHBondContact O-N 3.38Å; R9-I11 PolarHBondContact O-N 3.47Å; R9-V14 HydrophobicContact CB-CG2 3.93Å
10	S	31.5	Very low	28	Very low	14 Å²	14	92.1 Å²	92.1	10%	0.098	52%	0.515	C	S	.	.			trans	-47.1	137.5	173.9	169.7	0	0	0	0	109.6	V8 A12 T13 V14 S128	V8-S10 PolarHBondContact O-N 3.18Å; S10-A12 PolarHBondContact O-N 3.28Å; S10-A12 VanDerWaalsContact O-N 3.13Å; S10-A12 WeakPolarHBondContact OG-CB 3.18Å; S10-A12 PolarHBondContact OG-N 3Å; S10-T13 WeakPolarHBondContact O-CA 3.33Å; S10-T13 WeakPolarHBondContact O-CB 3.43Å; S10-T13 PolarHBondContact O-N 3.03Å; S10-T13 PolarHBondContact O-OG1 3.08Å; S10-V14 PolarHBondContact O-N 3.32Å; S10-S128 VanDerWaalsContact CB-OG 3.32Å; S10-S128 WeakPolarHBondContact CB-OG 3.31Å
11	I	41.4	Very low	27.8	Very low	7 Å²	7	96.9 Å²	96.9	4%	0.036	53%	0.527	C	S	.	.	H	α-helix	trans	-54.1	-35.9	178.7	-67.1	151.6	0	0	0	109.8	R9 T13 V14 I15 V152 R153 F156	R9-I11 PolarHBondContact O-N 3.47Å; I11-T13 VanDerWaalsContact C-N 3.33Å; I11-T13 PolarHBondContact O-N 3.47Å; I11-V14 PolarHBondContact O-N 3.09Å; I11-V14 VanDerWaalsContact O-N 3.14Å; I11-I15 HydrophobicContact CG2-CD1 3.54Å; I11-I15 HydrophobicContact CG2-CG1 4.13Å; I11-I15 WeakPolarHBondContact O-CG1 3.35Å; I11-I15 PolarHBondContact O-N 3.24Å; I11-V152 HydrophobicContact CD1-CB 4.1Å; I11-V152 HydrophobicContact CD1-CG1 3.5Å; I11-V152 VanDerWaalsContact CD1-CG1 3.5Å; I11-V152 HydrophobicContact CG1-CG1 4.35Å; I11-V152 HydrophobicContact CG2-CG1 4.36Å; I11-R153 HydrophobicContact CD1-CG 3.98Å; I11-F156 HydrophobicContact CG1-CB 4.33Å; I11-F156 HydrophobicContact CG1-CD2 4.22Å; I11-F156 HydrophobicContact CG1-CG 4.12Å; I11-F156 HydrophobicContact CG2-CD2 4.47Å
12	A	30.1	Very low	27.7	Very low	10 Å²	10	88.8 Å²	88.8	8%	0.083	51%	0.505	C	S	.	.	H	α-helix	trans	-58.4	-41.1	174.4	0	0	0	0	0	112.9	S10 V14 G16 Y17 L131	S10-A12 PolarHBondContact O-N 3.28Å; S10-A12 VanDerWaalsContact O-N 3.13Å; S10-A12 WeakPolarHBondContact OG-CB 3.18Å; S10-A12 PolarHBondContact OG-N 3Å; A12-V14 VanDerWaalsContact C-N 3.28Å; A12-V14 PolarHBondContact O-N 3.01Å; A12-G16 PolarHBondContact O-N 3.48Å; A12-Y17 HydrophobicContact CB-CD2 3.56Å; A12-Y17 HydrophobicContact CB-CE2 3.62Å; A12-Y17 WeakPolarHBondContact O-CD2 3.36Å; A12-Y17 PolarHBondContact O-N 2.69Å; A12-L131 HydrophobicContact CB-CB 4.15Å; A12-L131 HydrophobicContact CB-CD1 3.98Å
13	T	36.4	Very low	27.9	Very low	99 Å²	99	86.5 Å²	86.5	61%	0.607	51%	0.505	S	S	*	.	H	α-helix	trans	-66.9	-31.5	178.2	-41.1	0	0	0	0	111.7	S10 I11	S10-T13 WeakPolarHBondContact O-CA 3.33Å; S10-T13 WeakPolarHBondContact O-CB 3.43Å; S10-T13 PolarHBondContact O-N 3.03Å; S10-T13 PolarHBondContact O-OG1 3.08Å; I11-T13 VanDerWaalsContact C-N 3.33Å; I11-T13 PolarHBondContact O-N 3.47Å
14	V	36.1	Very low	28	Very low	22 Å²	22	79.2 Å²	79.2	13%	0.133	50%	0.495	C	S	.	.	H	α-helix	trans	-88.2	-34.1	-177.2	-170.3	0	0	0	0	113.2	R9 S10 I11 A12 G16 L104 F156	R9-V14 HydrophobicContact CB-CG2 3.93Å; S10-V14 PolarHBondContact O-N 3.32Å; I11-V14 PolarHBondContact O-N 3.09Å; I11-V14 VanDerWaalsContact O-N 3.14Å; A12-V14 VanDerWaalsContact C-N 3.28Å; A12-V14 PolarHBondContact O-N 3.01Å; V14-G16 PolarHBondContact O-N 3.27Å; V14-L104 HydrophobicContact CG1-CD1 3.8Å; V14-L104 HydrophobicContact CG1-CD2 3.97Å; V14-L104 VanDerWaalsContact O-CD2 3.32Å; V14-L104 WeakPolarHBondContact O-CD2 3.32Å; V14-F156 HydrophobicContact CB-CE1 4.3Å; V14-F156 HydrophobicContact CB-CE2 3.86Å; V14-F156 HydrophobicContact CB-CZ 3.36Å; V14-F156 HydrophobicContact CG1-CE1 4.49Å; V14-F156 HydrophobicContact CG1-CE2 3.95Å; V14-F156 HydrophobicContact CG1-CZ 3.4Å; V14-F156 VanDerWaalsContact CG1-CZ 3.4Å; V14-F156 HydrophobicContact CG2-CE1 3.94Å; V14-F156 HydrophobicContact CG2-CE2 4.4Å; V14-F156 HydrophobicContact CG2-CZ 3.48Å; V14-F156 VanDerWaalsContact CG2-CZ 3.48Å
15	I	36.1	Very low	28.1	Very low	52 Å²	52	76.8 Å²	76.8	27%	0.267	49%	0.493	S	S	.	.	H	α-helix	trans	-66.2	-17.4	171.4	-64.1	175.8	0	0	0	111	I11 L41 F135	I11-I15 HydrophobicContact CG2-CD1 3.54Å; I11-I15 HydrophobicContact CG2-CG1 4.13Å; I11-I15 WeakPolarHBondContact O-CG1 3.35Å; I11-I15 PolarHBondContact O-N 3.24Å; I15-L41 HydrophobicContact CD1-CD1 4.46Å; I15-L41 HydrophobicContact CG2-CD1 3.88Å; I15-F135 HydrophobicContact CD1-CD2 4.2Å; I15-F135 HydrophobicContact CD1-CE2 3.54Å; I15-F135 HydrophobicContact CD1-CZ 3.76Å
16	G	30.8	Very low	28.2	Very low	35 Å²	35	77.1 Å²	77.1	36%	0.361	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	58.7	175.8	0	0	0	0	0	110.9	A12 V14 P18	A12-G16 PolarHBondContact O-N 3.48Å; V14-G16 PolarHBondContact O-N 3.27Å; G16-P18 WeakPolarHBondContact O-CD 3.4Å; G16-P18 VanDerWaalsContact O-N 3.11Å
17	Y	26.5	Very low	28.5	Very low	91 Å²	91	77.5 Å²	77.5	36%	0.357	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-52.4	122.4	156.8	-80	-86.4	0	0	0	107.2	A12 C37	A12-Y17 HydrophobicContact CB-CD2 3.56Å; A12-Y17 HydrophobicContact CB-CE2 3.62Å; A12-Y17 WeakPolarHBondContact O-CD2 3.36Å; A12-Y17 PolarHBondContact O-N 2.69Å; Y17-C37 VanDerWaalsContact CD1-SG 3.51Å; Y17-C37 WeakPolarHBondContact CE1-SG 2.94Å
18	P	25.3	Very low	28.9	Very low	42 Å²	42	80 Å²	80	27%	0.273	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-56.8	138.4	175.3	22	-30.2	0	0	0	107.8	G16 A20 T36	G16-P18 WeakPolarHBondContact O-CD 3.4Å; G16-P18 VanDerWaalsContact O-N 3.11Å; P18-A20 PolarHBondContact O-N 3.48Å; P18-T36 HydrophobicContact CG-CG2 4.09Å
19	P	25.5	Very low	29.1	Very low	64 Å²	64	80.7 Å²	80.7	42%	0.416	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-52.3	123.2	173.9	22	-30.8	0	0	0	106.7	Y21 L120	P19-Y21 PolarHBondContact O-N 3.45Å; P19-L120 HydrophobicContact CB-CD2 3.86Å
20	A	24.2	Very low	28.7	Very low	74 Å²	74	79.3 Å²	79.3	61%	0.612	51%	0.507	S	S	*	.			trans	-42.5	107.8	-179.4	0	0	0	0	0	107.3	P18 G22	P18-A20 PolarHBondContact O-N 3.48Å; A20-G22 PolarHBondContact O-N 3.27Å
21	Y	22.9	Very low	28.4	Very low	193 Å²	193	80.8 Å²	80.8	76%	0.757	52%	0.524	S	S	*	.			trans	-55	112.7	-176.3	-105.8	-102.7	0	0	0	106.1	P19	P19-Y21 PolarHBondContact O-N 3.45Å
22	G	21.3	Very low	27.7	Very low	72 Å²	72	83.4 Å²	83.4	74%	0.742	54%	0.543	S	S	*	.	S	Bend	trans	-55.4	144.4	179.5	0	0	0	0	0	110.5	A20	A20-G22 PolarHBondContact O-N 3.27Å
23	G	24.5	Very low	27.5	Very low	87 Å²	87	87.8 Å²	87.8	90%	0.897	56%	0.564	S	S	*	*	S	Bend	trans	69.7	58.9	161.1	0	0	0	0	0	114.8
24	A	23.7	Very low	27.1	Very low	85 Å²	85	85.5 Å²	85.5	70%	0.702	55%	0.547	S	S	*	.	S	Bend	trans	-144.5	123.8	147.3	0	0	0	0	0	106.4	A26	A24-A26 PolarHBondContact O-N 3.47Å
25	N	24	Very low	26.9	Very low	160 Å²	160	91.1 Å²	91.1	86%	0.856	57%	0.57	S	S	*	*			trans	-27.5	127.8	175.2	-63	-36.6	0	0	0	111.1	A27	N25-A27 VanDerWaalsContact C-N 3.32Å; N25-A27 WeakPolarHBondContact O-CA 3.31Å; N25-A27 PolarHBondContact O-N 3.1Å
26	A	26	Very low	26.7	Very low	91 Å²	91	91.3 Å²	91.3	75%	0.752	57%	0.574	S	S	*	*			trans	-17.7	93.7	176.5	0	0	0	0	0	109.7	A24 E28	A24-A26 PolarHBondContact O-N 3.47Å; A26-E28 VanDerWaalsContact C-N 3.3Å; A26-E28 WeakPolarHBondContact O-CG 3.47Å; A26-E28 PolarHBondContact O-N 3.41Å
27	A	28.6	Very low	26.7	Very low	73 Å²	73	91.1 Å²	91.1	60%	0.603	57%	0.567	S	S	*	*			trans	-62.9	104.8	-173.3	0	0	0	0	0	104.7	N25 N29	N25-A27 VanDerWaalsContact C-N 3.32Å; N25-A27 WeakPolarHBondContact O-CA 3.31Å; N25-A27 PolarHBondContact O-N 3.1Å; A27-N29 PolarHBondContact O-N 3.15Å
28	E	34	Very low	27	Very low	184 Å²	184	91.9 Å²	91.9	86%	0.86	57%	0.573	S	S	*	*	S	Bend	trans	-62.4	16.2	-168.5	-72.3	179.4	137.5	0	0	113.4	A26	A26-E28 VanDerWaalsContact C-N 3.3Å; A26-E28 WeakPolarHBondContact O-CG 3.47Å; A26-E28 PolarHBondContact O-N 3.41Å
29	N	27.6	Very low	27.6	Very low	121 Å²	121	95.9 Å²	95.9	65%	0.647	59%	0.588	S	S	*	*			trans	-139.1	98.8	-179.8	-82.3	-56.2	0	0	0	111.7	A27 G31 S32	A27-N29 PolarHBondContact O-N 3.15Å; N29-G31 PolarHBondContact O-N 3.2Å; N29-S32 PolarHBondContact O-N 3.08Å; N29-S32 PolarHBondContact O-OG 3.34Å
30	P	26.3	Very low	28	Very low	90 Å²	90	94.5 Å²	94.5	58%	0.584	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-14.3	174.9	20	-32.1	0	0	0	114.5	S32 M34	P30-S32 VanDerWaalsContact C-N 3.3Å; P30-S32 PolarHBondContact O-N 3.38Å; P30-M34 PolarHBondContact O-N 3.38Å
31	G	25.5	Very low	28.6	Very low	44 Å²	44	93.7 Å²	93.7	45%	0.454	57%	0.566	S	S	.	*	H	α-helix	trans	-64.3	-24.5	175.1	0	0	0	0	0	115.2	N29 K35	N29-G31 PolarHBondContact O-N 3.2Å; G31-K35 PolarHBondContact O-N 2.91Å; G31-K35 VanDerWaalsContact O-N 3.15Å
32	S	25.9	Very low	29.3	Very low	63 Å²	63	87.1 Å²	87.1	44%	0.441	55%	0.547	S	S	.	.	H	α-helix	trans	-75.7	-39.2	-177.6	74.3	0	0	0	0	112.9	N29 P30 M34 T36	N29-S32 PolarHBondContact O-N 3.08Å; N29-S32 PolarHBondContact O-OG 3.34Å; P30-S32 VanDerWaalsContact C-N 3.3Å; P30-S32 PolarHBondContact O-N 3.38Å; S32-M34 VanDerWaalsContact C-N 3.32Å; S32-T36 PolarHBondContact O-N 2.72Å; S32-T36 PolarHBondContact O-OG1 3.21Å
33	L	26.5	Very low	30.1	Very low	102 Å²	102	85.2 Å²	85.2	53%	0.534	53%	0.525	S	S	.	.	H	α-helix	trans	-63.3	-39.6	172.1	-87	156.1	0	0	0	111	T36 C37	L33-T36 WeakPolarHBondContact O-CB 3.48Å; L33-T36 PolarHBondContact O-N 2.95Å; L33-C37 PolarHBondContact O-N 3.43Å
34	M	27.8	Very low	30.6	Very low	50 Å²	50	82.6 Å²	82.6	25%	0.246	49%	0.493	C	S	.	.	H	α-helix	trans	-62.8	-46.2	177.4	-75.8	-172.8	74.8	0	0	113.2	P30 S32 T36 C37 E38 R138	P30-M34 PolarHBondContact O-N 3.38Å; S32-M34 VanDerWaalsContact C-N 3.32Å; M34-T36 PolarHBondContact O-N 3.05Å; M34-C37 PolarHBondContact O-N 2.98Å; M34-C37 VanDerWaalsContact O-N 3.12Å; M34-E38 PolarHBondContact O-N 3.11Å; M34-R138 VanDerWaalsContact CG-NH1 3.31Å
35	K	32.6	Very low	31.3	Very low	141 Å²	141	81.9 Å²	81.9	61%	0.613	48%	0.477	S	S	*	.	H	α-helix	trans	-55.3	-37.7	174.2	-93.9	-175.7	176.6	176.5	0	111.5	G31 Q39	G31-K35 PolarHBondContact O-N 2.91Å; G31-K35 VanDerWaalsContact O-N 3.15Å; K35-Q39 WeakPolarHBondContact O-CB 3.44Å; K35-Q39 WeakPolarHBondContact O-CG 3.48Å; K35-Q39 PolarHBondContact O-N 2.85Å
36	T	31.7	Very low	31.9	Very low	56 Å²	56	79.6 Å²	79.6	34%	0.344	46%	0.461	S	S	.	.	H	α-helix	trans	-70.7	-40	-180	-46	0	0	0	0	111.8	P18 S32 L33 M34 S40	P18-T36 HydrophobicContact CG-CG2 4.09Å; S32-T36 PolarHBondContact O-N 2.72Å; S32-T36 PolarHBondContact O-OG1 3.21Å; L33-T36 WeakPolarHBondContact O-CB 3.48Å; L33-T36 PolarHBondContact O-N 2.95Å; M34-T36 PolarHBondContact O-N 3.05Å; T36-S40 VanDerWaalsContact O-CB 3.3Å; T36-S40 WeakPolarHBondContact O-CB 3.21Å; T36-S40 PolarHBondContact O-N 3.3Å; T36-S40 PolarHBondContact O-OG 2.88Å
37	C	30.4	Very low	32.3	Very low	31 Å²	31	79 Å²	79	21%	0.209	44%	0.441	C	S	.	.	H	α-helix	trans	-68.2	-46.9	175.5	-77.5	0	0	0	0	112.9	Y17 L33 M34 Q39 S40 L41	Y17-C37 VanDerWaalsContact CD1-SG 3.51Å; Y17-C37 WeakPolarHBondContact CE1-SG 2.94Å; L33-C37 PolarHBondContact O-N 3.43Å; M34-C37 PolarHBondContact O-N 2.98Å; M34-C37 VanDerWaalsContact O-N 3.12Å; C37-Q39 VanDerWaalsContact C-N 3.32Å; C37-Q39 PolarHBondContact O-N 3.2Å; C37-S40 PolarHBondContact O-N 3.44Å; C37-S40 VanDerWaalsContact O-N 3.12Å; C37-L41 WeakPolarHBondContact O-CB 3.42Å; C37-L41 PolarHBondContact O-N 3.4Å
38	E	33.8	Very low	32.5	Very low	106 Å²	106	78.3 Å²	78.3	50%	0.495	43%	0.426	S	S	.	.	H	α-helix	trans	-61.3	-42.5	175.7	-74.9	-178.7	172.9	0	0	111.4	M34 S40 L41 S42	M34-E38 PolarHBondContact O-N 3.11Å; E38-S40 VanDerWaalsContact C-N 3.3Å; E38-S40 PolarHBondContact O-N 3.17Å; E38-L41 PolarHBondContact O-N 3.48Å; E38-S42 WeakPolarHBondContact O-CB 3.35Å; E38-S42 PolarHBondContact O-N 3.43Å
39	Q	36.9	Very low	32.3	Very low	126 Å²	126	71 Å²	71	59%	0.589	39%	0.393	S	S	*	.	H	α-helix	trans	-62.7	-37.4	173.9	-75.4	172	2.3	0	0	111.8	K35 C37 A43	K35-Q39 WeakPolarHBondContact O-CB 3.44Å; K35-Q39 WeakPolarHBondContact O-CG 3.48Å; K35-Q39 PolarHBondContact O-N 2.85Å; C37-Q39 VanDerWaalsContact C-N 3.32Å; C37-Q39 PolarHBondContact O-N 3.2Å; Q39-A43 WeakPolarHBondContact O-CA 3.49Å; Q39-A43 WeakPolarHBondContact O-CB 3.46Å; Q39-A43 PolarHBondContact O-N 2.88Å
40	S	33.8	Very low	32.3	Very low	36 Å²	36	69.1 Å²	69.1	25%	0.252	39%	0.388	S	S	.	.	H	α-helix	trans	-73	-41	179.8	-60.2	0	0	0	0	112.2	T36 C37 E38 S44	T36-S40 VanDerWaalsContact O-CB 3.3Å; T36-S40 WeakPolarHBondContact O-CB 3.21Å; T36-S40 PolarHBondContact O-N 3.3Å; T36-S40 PolarHBondContact O-OG 2.88Å; C37-S40 PolarHBondContact O-N 3.44Å; C37-S40 VanDerWaalsContact O-N 3.12Å; E38-S40 VanDerWaalsContact C-N 3.3Å; E38-S40 PolarHBondContact O-N 3.17Å; S40-S44 WeakPolarHBondContact O-CB 3.34Å; S40-S44 PolarHBondContact O-N 3.06Å; S40-S44 PolarHBondContact O-OG 2.91Å
41	L	37.4	Very low	32.4	Very low	57 Å²	57	67.3 Å²	67.3	30%	0.298	38%	0.375	S	S	.	.	H	α-helix	trans	-69.1	-46.8	176.8	-150.3	105.2	0	0	0	110.7	I15 C37 E38 A43 S44 L45	I15-L41 HydrophobicContact CD1-CD1 4.46Å; I15-L41 HydrophobicContact CG2-CD1 3.88Å; C37-L41 WeakPolarHBondContact O-CB 3.42Å; C37-L41 PolarHBondContact O-N 3.4Å; E38-L41 PolarHBondContact O-N 3.48Å; L41-A43 VanDerWaalsContact C-N 3.34Å; L41-A43 PolarHBondContact O-N 3.43Å; L41-S44 PolarHBondContact O-N 3.2Å; L41-L45 HydrophobicContact CD2-CD1 4.16Å; L41-L45 WeakPolarHBondContact O-CB 2.87Å; L41-L45 VanDerWaalsContact O-CG 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.42Å; L41-L45 PolarHBondContact O-N 3.19Å
42	S	38.2	Very low	32.5	Very low	54 Å²	54	68.2 Å²	68.2	38%	0.378	37%	0.369	S	S	.	.	H	α-helix	trans	-61.3	-42.4	174.6	-171.7	0	0	0	0	111.3	E38 S44 L45 Q46	E38-S42 WeakPolarHBondContact O-CB 3.35Å; E38-S42 PolarHBondContact O-N 3.43Å; S42-S44 VanDerWaalsContact C-N 3.34Å; S42-S44 PolarHBondContact O-N 3.34Å; S42-L45 PolarHBondContact O-N 3.24Å; S42-Q46 VanDerWaalsContact O-CB 3.25Å; S42-Q46 WeakPolarHBondContact O-CB 3.2Å; S42-Q46 VanDerWaalsContact O-CG 3.24Å; S42-Q46 WeakPolarHBondContact O-CG 3.4Å; S42-Q46 PolarHBondContact O-N 2.78Å
43	A	36.2	Very low	32.6	Very low	32 Å²	32	73.7 Å²	73.7	26%	0.264	38%	0.38	S	S	.	.	H	α-helix	trans	-65.5	-36.8	174.8	0	0	0	0	0	112.2	Q39 L41 K47	Q39-A43 WeakPolarHBondContact O-CA 3.49Å; Q39-A43 WeakPolarHBondContact O-CB 3.46Å; Q39-A43 PolarHBondContact O-N 2.88Å; L41-A43 VanDerWaalsContact C-N 3.34Å; L41-A43 PolarHBondContact O-N 3.43Å; A43-K47 WeakPolarHBondContact O-CB 3.2Å; A43-K47 WeakPolarHBondContact O-CG 3.33Å; A43-K47 PolarHBondContact O-N 2.93Å
44	S	36.1	Very low	32.9	Very low	33 Å²	33	79.6 Å²	79.6	23%	0.231	40%	0.395	C	S	.	.	H	α-helix	trans	-66	-43.8	175.8	-64.5	0	0	0	0	111.1	S40 L41 S42 M48	S40-S44 WeakPolarHBondContact O-CB 3.34Å; S40-S44 PolarHBondContact O-N 3.06Å; S40-S44 PolarHBondContact O-OG 2.91Å; L41-S44 PolarHBondContact O-N 3.2Å; S42-S44 VanDerWaalsContact C-N 3.34Å; S42-S44 PolarHBondContact O-N 3.34Å; S44-M48 WeakPolarHBondContact O-CB 3.5Å; S44-M48 WeakPolarHBondContact O-CE 3.38Å; S44-M48 WeakPolarHBondContact O-CG 3.4Å; S44-M48 PolarHBondContact O-N 3.27Å
45	L	38.5	Very low	33.1	Very low	69 Å²	69	79.6 Å²	79.6	36%	0.361	41%	0.408	S	S	.	.	H	α-helix	trans	-66.7	-42.3	175.5	-67.8	171.3	0	0	0	112.5	L41 S42 M48 E49	L41-L45 HydrophobicContact CD2-CD1 4.16Å; L41-L45 WeakPolarHBondContact O-CB 2.87Å; L41-L45 VanDerWaalsContact O-CG 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.42Å; L41-L45 PolarHBondContact O-N 3.19Å; S42-L45 PolarHBondContact O-N 3.24Å; L45-M48 HydrophobicContact CD2-CE 3.99Å; L45-M48 WeakPolarHBondContact O-CB 3.13Å; L45-M48 PolarHBondContact O-N 2.9Å; L45-E49 PolarHBondContact O-N 3.4Å
46	Q	37	Very low	32.9	Very low	113 Å²	113	76.4 Å²	76.4	53%	0.528	42%	0.415	S	S	.	.	H	α-helix	trans	-69.4	-37.9	175.6	-74.6	179.6	-0.4	0	0	112.4	S42 E49 C50	S42-Q46 VanDerWaalsContact O-CB 3.25Å; S42-Q46 WeakPolarHBondContact O-CB 3.2Å; S42-Q46 VanDerWaalsContact O-CG 3.24Å; S42-Q46 WeakPolarHBondContact O-CG 3.4Å; S42-Q46 PolarHBondContact O-N 2.78Å; Q46-E49 WeakPolarHBondContact O-CB 3.36Å; Q46-E49 PolarHBondContact O-N 3.33Å; Q46-C50 PolarHBondContact O-N 3.46Å
47	K	34.2	Very low	32.9	Very low	78 Å²	78	77.6 Å²	77.6	34%	0.339	42%	0.422	S	S	.	.	H	α-helix	trans	-66.3	-40.2	173.4	-78.5	171.7	-175.6	168.3	0	110.4	A43 E49 C50 V51 D107	A43-K47 WeakPolarHBondContact O-CB 3.2Å; A43-K47 WeakPolarHBondContact O-CG 3.33Å; A43-K47 PolarHBondContact O-N 2.93Å; K47-E49 VanDerWaalsContact C-N 3.35Å; K47-C50 PolarHBondContact O-N 3.31Å; K47-V51 WeakPolarHBondContact O-CG2 3.48Å; K47-V51 PolarHBondContact O-N 2.97Å; K47-D107 IonicContact NZ-OD1 2.71Å
48	M	31.5	Very low	32.9	Very low	58 Å²	58	77 Å²	77	29%	0.286	42%	0.421	S	S	.	.	H	α-helix	trans	-59	-44.9	170.8	-85.7	-174.2	-90.4	0	0	111.3	S44 L45 C50 V51 L52 P103	S44-M48 WeakPolarHBondContact O-CB 3.5Å; S44-M48 WeakPolarHBondContact O-CE 3.38Å; S44-M48 WeakPolarHBondContact O-CG 3.4Å; S44-M48 PolarHBondContact O-N 3.27Å; L45-M48 HydrophobicContact CD2-CE 3.99Å; L45-M48 WeakPolarHBondContact O-CB 3.13Å; L45-M48 PolarHBondContact O-N 2.9Å; M48-C50 VanDerWaalsContact C-N 3.3Å; M48-C50 PolarHBondContact O-N 2.83Å; M48-V51 PolarHBondContact O-N 3.37Å; M48-L52 WeakPolarHBondContact O-CB 3.32Å; M48-L52 WeakPolarHBondContact O-CG 3.31Å; M48-L52 PolarHBondContact O-N 2.94Å; M48-P103 HydrophobicContact CG-CG 4.23Å
49	E	30.6	Very low	32.7	Very low	32 Å²	32	83 Å²	83	15%	0.15	44%	0.439	C	S	.	.	H	α-helix	trans	-56.9	-43.5	174.1	-175.2	-169.2	179.5	0	0	112	L45 Q46 K47 L52 R53 R62	L45-E49 PolarHBondContact O-N 3.4Å; Q46-E49 WeakPolarHBondContact O-CB 3.36Å; Q46-E49 PolarHBondContact O-N 3.33Å; K47-E49 VanDerWaalsContact C-N 3.35Å; E49-L52 PolarHBondContact O-N 3.38Å; E49-R53 WeakPolarHBondContact O-CB 3.15Å; E49-R53 WeakPolarHBondContact O-CG 2.79Å; E49-R53 PolarHBondContact O-N 3.28Å; E49-R53 IonicContact OE1-CZ 3.5Å; E49-R53 IonicContact OE1-NE 3.49Å; E49-R53 PolarHBondContact OE1-NE 2.87Å; E49-R53 IonicContact OE1-NH2 2.8Å; E49-R53 PolarHBondContact OE1-NH2 3.01Å; E49-R62 VanDerWaalsContact CD-NH2 3.28Å; E49-R62 IonicContact OE1-CZ 2.68Å; E49-R62 IonicContact OE1-NE 3.75Å; E49-R62 IonicContact OE1-NH1 3.88Å; E49-R62 IonicContact OE1-NH2 3.95Å; E49-R62 IonicContact OE2-CZ 3.49Å; E49-R62 IonicContact OE2-NE 3.36Å; E49-R62 PolarHBondContact OE2-NE 3.22Å; E49-R62 IonicContact OE2-NH2 3.56Å; E49-R62 PolarHBondContact OE2-NH2 2.97Å
50	C	27.5	Very low	32.5	Very low	81 Å²	81	82.8 Å²	82.8	55%	0.547	44%	0.442	S	S	.	.	H	α-helix	trans	-67.8	-38.7	-179.1	-161.3	0	0	0	0	112.4	Q46 K47 M48 R54	Q46-C50 PolarHBondContact O-N 3.46Å; K47-C50 PolarHBondContact O-N 3.31Å; M48-C50 VanDerWaalsContact C-N 3.3Å; M48-C50 PolarHBondContact O-N 2.83Å; C50-R54 PolarHBondContact O-N 3.3Å
51	V	29.3	Very low	32.4	Very low	52 Å²	52	87.2 Å²	87.2	32%	0.315	45%	0.453	S	S	.	.	H	α-helix	trans	-68.3	-42.1	175.2	174.2	0	0	0	0	110.7	K47 M48 R54 G55 V101	K47-V51 WeakPolarHBondContact O-CG2 3.48Å; K47-V51 PolarHBondContact O-N 2.97Å; M48-V51 PolarHBondContact O-N 3.37Å; V51-R54 WeakPolarHBondContact O-CB 3.02Å; V51-R54 PolarHBondContact O-N 3.05Å; V51-G55 PolarHBondContact O-N 2.8Å; V51-V101 HydrophobicContact CG1-CB 4.29Å; V51-V101 HydrophobicContact CG1-CG2 4.37Å; V51-V101 HydrophobicContact CG2-CB 4.47Å
52	L	27.7	Very low	32	Very low	62 Å²	62	91.2 Å²	91.2	33%	0.325	46%	0.464	S	S	.	.	H	α-helix	trans	-75.8	-27.1	-178	-65.6	171.5	0	0	0	113.1	M48 E49 R54 G55 G56 G58 W61	M48-L52 WeakPolarHBondContact O-CB 3.32Å; M48-L52 WeakPolarHBondContact O-CG 3.31Å; M48-L52 PolarHBondContact O-N 2.94Å; E49-L52 PolarHBondContact O-N 3.38Å; L52-R54 VanDerWaalsContact C-N 3.26Å; L52-R54 PolarHBondContact O-N 2.71Å; L52-G55 PolarHBondContact O-N 3.49Å; L52-G56 PolarHBondContact O-N 3.36Å; L52-G58 PolarHBondContact O-N 3.09Å; L52-W61 HydrophobicContact CD1-CB 4.16Å
53	R	27.6	Very low	31.7	Very low	179 Å²	179	93.2 Å²	93.2	68%	0.675	47%	0.474	S	S	*	.	H	α-helix	trans	-62.1	-33.5	166.9	-81.8	-170.5	-169	-168.3	6.7	112.3	E49 G55	E49-R53 WeakPolarHBondContact O-CB 3.15Å; E49-R53 WeakPolarHBondContact O-CG 2.79Å; E49-R53 PolarHBondContact O-N 3.28Å; E49-R53 IonicContact OE1-CZ 3.5Å; E49-R53 IonicContact OE1-NE 3.49Å; E49-R53 PolarHBondContact OE1-NE 2.87Å; E49-R53 IonicContact OE1-NH2 2.8Å; E49-R53 PolarHBondContact OE1-NH2 3.01Å; R53-G55 VanDerWaalsContact C-N 3.33Å
54	R	32.5	Very low	31.5	Very low	226 Å²	226	93.6 Å²	93.6	85%	0.853	47%	0.473	S	S	*	.	H	α-helix	trans	-74.4	-23.6	175	-77.1	-175.7	171.8	171.1	-2.6	113.2	C50 V51 L52	C50-R54 PolarHBondContact O-N 3.3Å; V51-R54 WeakPolarHBondContact O-CB 3.02Å; V51-R54 PolarHBondContact O-N 3.05Å; L52-R54 VanDerWaalsContact C-N 3.26Å; L52-R54 PolarHBondContact O-N 2.71Å
55	G	31.8	Very low	31.6	Very low	50 Å²	50	94 Å²	94	52%	0.515	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	6.2	177.7	0	0	0	0	0	115.5	V51 L52 R53 V57	V51-G55 PolarHBondContact O-N 2.8Å; L52-G55 PolarHBondContact O-N 3.49Å; R53-G55 VanDerWaalsContact C-N 3.33Å; G55-V57 WeakPolarHBondContact O-CG2 3.32Å; G55-V57 PolarHBondContact O-N 3.5Å; G55-V57 VanDerWaalsContact O-N 3.08Å
56	G	28.1	Very low	31.4	Very low	74 Å²	74	95.4 Å²	95.4	76%	0.763	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	-10.4	177.3	0	0	0	0	0	116.3	L52	L52-G56 PolarHBondContact O-N 3.36Å
57	V	31.8	Very low	31.1	Very low	81 Å²	81	91.4 Å²	91.4	49%	0.491	47%	0.47	S	S	.	.			trans	-100.7	14.9	-176.6	-149.1	0	0	0	0	113.2	G55 R59	G55-V57 WeakPolarHBondContact O-CG2 3.32Å; G55-V57 PolarHBondContact O-N 3.5Å; G55-V57 VanDerWaalsContact O-N 3.08Å; V57-R59 PolarHBondContact O-N 3.42Å
58	G	30.4	Very low	31.1	Very low	17 Å²	17	92.6 Å²	92.6	18%	0.175	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-11.7	-161.1	0	0	0	0	0	118.3	L52	L52-G58 PolarHBondContact O-N 3.09Å
59	R	30.8	Very low	31.3	Very low	232 Å²	232	94 Å²	94	88%	0.875	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-37.5	-178.2	-72.3	-172.9	-170.7	174.1	4.2	113.8	V57	V57-R59 PolarHBondContact O-N 3.42Å
60	N	31.2	Very low	31.3	Very low	123 Å²	123	95.4 Å²	95.4	66%	0.658	50%	0.504	S	S	*	.	H	α-helix	trans	-80.2	-30.8	-175.7	-80.4	-12.1	0	0	0	113.2	R62 V63 T64	N60-R62 PolarHBondContact O-N 2.95Å; N60-V63 CarbonylContact O-C 3.49Å; N60-V63 WeakPolarHBondContact O-CA 3.02Å; N60-V63 WeakPolarHBondContact O-CB 3.4Å; N60-V63 PolarHBondContact O-N 2.86Å; N60-V63 VanDerWaalsContact O-N 3.16Å; N60-T64 PolarHBondContact O-N 2.87Å; N60-T64 PolarHBondContact O-OG1 3.28Å
61	W	31.5	Very low	31.4	Very low	129 Å²	129	99.1 Å²	99.1	49%	0.489	51%	0.51	S	S	.	.	H	α-helix	trans	-76.4	-21.3	-172.9	-79.9	71.1	0	0	0	115.7	L52 V63 T64 A65	L52-W61 HydrophobicContact CD1-CB 4.16Å; W61-V63 PolarHBondContact O-N 3.09Å; W61-T64 CarbonylContact O-C 3.59Å; W61-T64 PolarHBondContact O-N 3.25Å; W61-T64 VanDerWaalsContact O-N 3.16Å; W61-A65 WeakPolarHBondContact O-CB 3.34Å; W61-A65 PolarHBondContact O-N 3.16Å
62	R	29.6	Very low	31.5	Very low	140 Å²	140	100.9 Å²	100.9	53%	0.528	51%	0.514	S	S	.	.	H	α-helix	trans	-59.4	-44.3	168.2	-110.8	-179.5	173.3	-158.1	-2	109.8	E49 N60 L66	E49-R62 VanDerWaalsContact CD-NH2 3.28Å; E49-R62 IonicContact OE1-CZ 2.68Å; E49-R62 IonicContact OE1-NE 3.75Å; E49-R62 IonicContact OE1-NH1 3.88Å; E49-R62 IonicContact OE1-NH2 3.95Å; E49-R62 IonicContact OE2-CZ 3.49Å; E49-R62 IonicContact OE2-NE 3.36Å; E49-R62 PolarHBondContact OE2-NE 3.22Å; E49-R62 IonicContact OE2-NH2 3.56Å; E49-R62 PolarHBondContact OE2-NH2 2.97Å; N60-R62 PolarHBondContact O-N 2.95Å; R62-L66 VanDerWaalsContact O-CB 3.31Å; R62-L66 WeakPolarHBondContact O-CB 3.21Å; R62-L66 PolarHBondContact O-N 3.35Å
63	V	31.5	Very low	31.7	Very low	96 Å²	96	98.9 Å²	98.9	58%	0.582	50%	0.504	S	S	*	.	H	α-helix	trans	-70.6	-39.6	171.6	-176.2	0	0	0	0	109.5	N60 W61 S67	N60-V63 CarbonylContact O-C 3.49Å; N60-V63 WeakPolarHBondContact O-CA 3.02Å; N60-V63 WeakPolarHBondContact O-CB 3.4Å; N60-V63 PolarHBondContact O-N 2.86Å; N60-V63 VanDerWaalsContact O-N 3.16Å; W61-V63 PolarHBondContact O-N 3.09Å; V63-S67 WeakPolarHBondContact O-CA 3.43Å; V63-S67 WeakPolarHBondContact O-CB 3.47Å; V63-S67 PolarHBondContact O-N 3.01Å; V63-S67 PolarHBondContact O-OG 3.32Å
64	T	33.5	Very low	31.6	Very low	41 Å²	41	93.3 Å²	93.3	25%	0.252	50%	0.503	S	S	.	.	H	α-helix	trans	-69.2	-42.6	-179	-44.6	0	0	0	0	114	N60 W61 S67 M68	N60-T64 PolarHBondContact O-N 2.87Å; N60-T64 PolarHBondContact O-OG1 3.28Å; W61-T64 CarbonylContact O-C 3.59Å; W61-T64 PolarHBondContact O-N 3.25Å; W61-T64 VanDerWaalsContact O-N 3.16Å; T64-S67 CarbonylContact O-C 3.57Å; T64-M68 HydrophobicContact CG2-CE 3.55Å; T64-M68 HydrophobicContact CG2-CG 4.16Å; T64-M68 HydrophobicContact CG2-SD 3.91Å; T64-M68 WeakPolarHBondContact O-CA 3.41Å; T64-M68 WeakPolarHBondContact O-CB 3.11Å; T64-M68 WeakPolarHBondContact O-CG 3.3Å; T64-M68 PolarHBondContact O-N 3.32Å
65	A	36.8	Very low	31.3	Very low	41 Å²	41	84.8 Å²	84.8	34%	0.339	49%	0.485	S	S	.	.	H	α-helix	trans	-74.7	-44.9	-179.6	0	0	0	0	0	111.7	W61 M68 L69	W61-A65 WeakPolarHBondContact O-CB 3.34Å; W61-A65 PolarHBondContact O-N 3.16Å; A65-M68 PolarHBondContact O-N 2.77Å; A65-L69 WeakPolarHBondContact O-CB 3.27Å; A65-L69 PolarHBondContact O-N 3.16Å
66	L	34.2	Very low	31.1	Very low	98 Å²	98	89 Å²	89	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-73.4	-29.4	174.2	-72.5	166.3	0	0	0	112.3	R62 A70	R62-L66 VanDerWaalsContact O-CB 3.31Å; R62-L66 WeakPolarHBondContact O-CB 3.21Å; R62-L66 PolarHBondContact O-N 3.35Å; L66-A70 WeakPolarHBondContact O-CA 3.37Å; L66-A70 WeakPolarHBondContact O-CB 3.25Å; L66-A70 PolarHBondContact O-N 3.47Å
67	S	31.7	Very low	31	Very low	29 Å²	29	88.4 Å²	88.4	20%	0.203	50%	0.495	C	S	.	.	H	α-helix	trans	-82.3	-20	169.4	80.1	0	0	0	0	112.6	V63 T64 K71	V63-S67 WeakPolarHBondContact O-CA 3.43Å; V63-S67 WeakPolarHBondContact O-CB 3.47Å; V63-S67 PolarHBondContact O-N 3.01Å; V63-S67 PolarHBondContact O-OG 3.32Å; T64-S67 CarbonylContact O-C 3.57Å; S67-K71 VanDerWaalsContact O-CA 3.25Å; S67-K71 WeakPolarHBondContact O-CA 3.47Å; S67-K71 WeakPolarHBondContact O-CB 3.13Å; S67-K71 WeakPolarHBondContact O-CG 3.43Å; S67-K71 PolarHBondContact O-N 3.4Å
68	M	33.5	Very low	30.7	Very low	103 Å²	103	88.2 Å²	88.2	51%	0.507	51%	0.509	S	S	.	.	H	α-helix	trans	-70.9	-46.8	168.3	-85.8	172.7	175.7	0	0	107.5	T64 A65 F72	T64-M68 HydrophobicContact CG2-CE 3.55Å; T64-M68 HydrophobicContact CG2-CG 4.16Å; T64-M68 HydrophobicContact CG2-SD 3.91Å; T64-M68 WeakPolarHBondContact O-CA 3.41Å; T64-M68 WeakPolarHBondContact O-CB 3.11Å; T64-M68 WeakPolarHBondContact O-CG 3.3Å; T64-M68 PolarHBondContact O-N 3.32Å; A65-M68 PolarHBondContact O-N 2.77Å; M68-F72 WeakPolarHBondContact O-CB 3.24Å; M68-F72 PolarHBondContact O-N 3.27Å
69	L	35	Very low	30.3	Very low	89 Å²	89	99 Å²	99	47%	0.466	54%	0.544	S	S	.	.	H	α-helix	trans	-59.1	-50.6	169.4	-85.5	153.9	0	0	0	111.3	A65 V73 M147	A65-L69 WeakPolarHBondContact O-CB 3.27Å; A65-L69 PolarHBondContact O-N 3.16Å; L69-V73 WeakPolarHBondContact O-CB 3.43Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 3.42Å; L69-M147 HydrophobicContact CD2-CE 4.27Å
70	A	30.8	Very low	29.9	Very low	61 Å²	61	91.3 Å²	91.3	50%	0.504	54%	0.537	S	S	.	.	H	α-helix	trans	-76.8	-25.9	-176.7	0	0	0	0	0	114.4	L66 G74	L66-A70 WeakPolarHBondContact O-CA 3.37Å; L66-A70 WeakPolarHBondContact O-CB 3.25Å; L66-A70 PolarHBondContact O-N 3.47Å; A70-G74 WeakPolarHBondContact O-CA 3.25Å; A70-G74 PolarHBondContact O-N 3.17Å
71	K	29.2	Very low	29.6	Very low	158 Å²	158	95.4 Å²	95.4	69%	0.687	55%	0.545	S	S	*	.	H	α-helix	trans	-82	-36.1	171.9	-71.3	179.2	171.4	-173.3	0	111.3	S67 V73 G75	S67-K71 VanDerWaalsContact O-CA 3.25Å; S67-K71 WeakPolarHBondContact O-CA 3.47Å; S67-K71 WeakPolarHBondContact O-CB 3.13Å; S67-K71 WeakPolarHBondContact O-CG 3.43Å; S67-K71 PolarHBondContact O-N 3.4Å; K71-V73 PolarHBondContact O-N 3.43Å; K71-G75 WeakPolarHBondContact O-CA 3.13Å; K71-G75 PolarHBondContact O-N 3.16Å; K71-G75 VanDerWaalsContact O-N 3.09Å
72	F	32.2	Very low	29.2	Very low	90 Å²	90	98.3 Å²	98.3	40%	0.395	56%	0.564	S	S	.	*	H	α-helix	trans	-59.5	-38.2	168.7	-106.1	-95.9	0	0	0	110.4	M68	M68-F72 WeakPolarHBondContact O-CB 3.24Å; M68-F72 PolarHBondContact O-N 3.27Å
73	V	32.7	Very low	28.9	Very low	20 Å²	20	99.8 Å²	99.8	12%	0.121	58%	0.577	C	S	.	*	H	α-helix	trans	-91.2	-30.2	-172.5	177.1	0	0	0	0	113.4	L69 K71 V145 M147	L69-V73 WeakPolarHBondContact O-CB 3.43Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 3.42Å; K71-V73 PolarHBondContact O-N 3.43Å; V73-V145 HydrophobicContact CG1-CB 3.39Å; V73-V145 HydrophobicContact CG1-CG1 3.54Å; V73-V145 HydrophobicContact CG1-CG2 4.16Å; V73-M147 HydrophobicContact CB-CG 4.27Å; V73-M147 HydrophobicContact CG1-CG 3.46Å; V73-M147 VanDerWaalsContact CG1-CG 3.46Å; V73-M147 HydrophobicContact CG1-SD 4.32Å; V73-M147 HydrophobicContact CG2-CE 3.31Å; V73-M147 HydrophobicContact CG2-CG 3.68Å; V73-M147 HydrophobicContact CG2-SD 3.92Å
74	G	25.8	Very low	28.7	Very low	62 Å²	62	100.7 Å²	100.7	64%	0.639	59%	0.585	S	S	*	*	H	α-helix	trans	-88.2	-3.1	175.2	0	0	0	0	0	114.1	A70	A70-G74 WeakPolarHBondContact O-CA 3.25Å; A70-G74 PolarHBondContact O-N 3.17Å
75	G	24.4	Very low	28.1	Very low	46 Å²	46	106.1 Å²	106.1	47%	0.474	61%	0.611	S	S	.	*			trans	-101.5	11.7	-166.9	0	0	0	0	0	116.6	K71 G77	K71-G75 WeakPolarHBondContact O-CA 3.13Å; K71-G75 PolarHBondContact O-N 3.16Å; K71-G75 VanDerWaalsContact O-N 3.09Å; G75-G77 PolarHBondContact O-N 2.65Å
76	T	29.2	Very low	27.5	Very low	138 Å²	138	110.3 Å²	110.3	85%	0.847	63%	0.632	S	S	*	*			trans	-66.2	-0.9	167.8	45	0	0	0	0	112.9
77	G	24.8	Very low	27	Very low	63 Å²	63	113.5 Å²	113.5	65%	0.649	64%	0.644	S	S	*	*	S	Bend	trans	-96.3	67.7	168.8	0	0	0	0	0	114.5	G75 R79	G75-G77 PolarHBondContact O-N 2.65Å; G77-R79 PolarHBondContact O-N 2.58Å
78	G	25.2	Very low	26.6	Very low	76 Å²	76	118 Å²	118	78%	0.784	67%	0.672	S	S	*	*			trans	59.5	25	136.8	0	0	0	0	0	122.3
79	R	22.7	Very low	26.3	Very low	243 Å²	243	119.5 Å²	119.5	92%	0.917	68%	0.682	S	S	*	*			trans	-124.1	122.6	167.1	-69.6	-165.9	-171.8	-144	2.9	112.1	G77	G77-R79 PolarHBondContact O-N 2.58Å
80	G	23.1	Very low	25.9	Very low	71 Å²	71	119.3 Å²	119.3	73%	0.732	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-53	147.8	-173.1	0	0	0	0	0	113.6	E82	G80-E82 PolarHBondContact O-N 2.74Å
81	Y	24.6	Very low	26.2	Very low	210 Å²	210	122.7 Å²	122.7	82%	0.824	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-48.5	119	172.4	-76.8	-104.9	0	0	0	110.9
82	E	23.2	Very low	26.4	Very low	189 Å²	189	123.6 Å²	123.6	88%	0.883	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-91.7	122.4	150.3	-86.2	-173.9	158.5	0	0	107.4	G80	G80-E82 PolarHBondContact O-N 2.74Å
83	E	22.9	Very low	26.2	Very low	172 Å²	172	126.8 Å²	126.8	80%	0.804	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-57.7	140.3	177.3	-73.4	-179.7	150	0	0	110.7	I85	E83-I85 PolarHBondContact O-N 2.63Å
84	P	26.6	Very low	26.1	Very low	114 Å²	114	131.8 Å²	131.8	74%	0.74	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-63.5	121.7	-179.8	24	-31.1	0	0	0	110.6	V86	P84-V86 PolarHBondContact O-N 2.78Å
85	I	22.1	Very low	26.1	Very low	156 Å²	156	131.5 Å²	131.5	80%	0.8	76%	0.755	S	S	*	*			trans	-64.4	107.2	173.6	-58.1	172.4	0	0	0	108.1	E83 E87	E83-I85 PolarHBondContact O-N 2.63Å; I85-E87 HydrophobicContact CG2-CG 4.44Å; I85-E87 PolarHBondContact O-N 3.36Å
86	V	23.7	Very low	26.2	Very low	128 Å²	128	133.9 Å²	133.9	78%	0.776	76%	0.76	S	S	*	*			trans	-81.2	96.1	172.1	-177.1	0	0	0	0	107.2	P84 P88	P84-V86 PolarHBondContact O-N 2.78Å; V86-P88 WeakPolarHBondContact O-CD 3.23Å
87	E	23	Very low	25.9	Very low	166 Å²	166	132.3 Å²	132.3	78%	0.776	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-66.1	124.4	170.5	-74.2	-178.2	170.4	0	0	109.3	I85 L89	I85-E87 HydrophobicContact CG2-CG 4.44Å; I85-E87 PolarHBondContact O-N 3.36Å; E87-L89 PolarHBondContact O-N 3.21Å
88	P	23.7	Very low	25.9	Very low	122 Å²	122	132.9 Å²	132.9	79%	0.792	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-66.8	133.8	177.2	24.9	-30.4	0	0	0	110.3	V86	V86-P88 WeakPolarHBondContact O-CD 3.23Å
89	L	26.6	Very low	25.7	Very low	135 Å²	135	135.3 Å²	135.3	71%	0.707	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-59.6	145.4	178.7	-79.3	158.8	0	0	0	111.3	E87	E87-L89 PolarHBondContact O-N 3.21Å
90	P	27.3	Very low	25.8	Very low	86 Å²	86	125.3 Å²	125.3	56%	0.558	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-56.5	140.6	177.5	-21.8	30.4	0	0	0	112.2	E92	P90-E92 PolarHBondContact O-N 3.46Å; P90-E92 VanDerWaalsContact O-N 3.09Å
91	P	37	Very low	25.9	Very low	131 Å²	131	124.7 Å²	124.7	85%	0.851	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-11.6	-171.5	25.9	-34.6	0	0	0	114.7	H93	P91-H93 PolarHBondContact O-N 2.88Å
92	E	33.8	Very low	26	Very low	178 Å²	178	116 Å²	116	83%	0.832	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-0.2	-176.9	-63.5	-174.2	169.9	0	0	114.2	P90 P94	P90-E92 PolarHBondContact O-N 3.46Å; P90-E92 VanDerWaalsContact O-N 3.09Å; E92-P94 WeakPolarHBondContact O-CD 3.43Å
93	H	28.4	Very low	26.2	Very low	156 Å²	156	108.9 Å²	108.9	72%	0.722	63%	0.625	S	S	*	*			trans	-95.9	106.2	176.8	-96.9	-50.4	0	0	0	112.6	P91 G95	P91-H93 PolarHBondContact O-N 2.88Å; H93-G95 PolarHBondContact O-N 3.42Å
94	P	30.2	Very low	26.4	Very low	126 Å²	126	103.8 Å²	103.8	82%	0.818	60%	0.603	S	S	*	*			trans	-75.5	94.5	174.1	31.2	-33	0	0	0	109.2	E92	E92-P94 WeakPolarHBondContact O-CD 3.43Å
95	G	26.4	Very low	26.6	Very low	56 Å²	56	100.6 Å²	100.6	58%	0.577	58%	0.578	S	S	*	*	S	Bend	trans	92.4	130.2	168.9	0	0	0	0	0	115	H93 V97	H93-G95 PolarHBondContact O-N 3.42Å; G95-V97 PolarHBondContact O-N 3.16Å
96	V	26.3	Very low	26.9	Very low	95 Å²	95	101.1 Å²	101.1	58%	0.576	57%	0.57	S	S	*	*			trans	-73.8	117.3	-178.8	178.3	0	0	0	0	109.7	V98 Q173	V96-V98 HydrophobicContact CG1-CG2 3.8Å; V96-Q173 PolarHBondContact O-NE2 3.43Å
97	V	22.9	Very low	27.1	Very low	106 Å²	106	97.9 Å²	97.9	64%	0.642	55%	0.548	S	S	*	.			trans	-114.6	90.6	170.3	-175.8	0	0	0	0	108.6	G95 L99	G95-V97 PolarHBondContact O-N 3.16Å; V97-L99 HydrophobicContact CG1-CD1 4.32Å; V97-L99 HydrophobicContact CG1-CG 4.05Å; V97-L99 PolarHBondContact O-N 3.42Å
98	V	23.7	Very low	27.4	Very low	75 Å²	75	96.4 Å²	96.4	46%	0.455	54%	0.535	S	S	.	.			trans	-88	92.9	169.5	178.8	0	0	0	0	107.7	V96 A100 V166 L170	V96-V98 HydrophobicContact CG1-CG2 3.8Å; V98-A100 HydrophobicContact CG1-CB 4.28Å; V98-A100 PolarHBondContact O-N 2.84Å; V98-V166 HydrophobicContact CG1-CG1 4.08Å; V98-L170 WeakPolarHBondContact O-CD1 3.02Å; V98-L170 WeakPolarHBondContact O-CD2 3.48Å
99	L	22.4	Very low	27.7	Very low	126 Å²	126	95.1 Å²	95.1	66%	0.66	52%	0.517	S	S	*	.			trans	-73.3	74.5	169.5	-82.2	159.6	0	0	0	109.9	V97 V101	V97-L99 HydrophobicContact CG1-CD1 4.32Å; V97-L99 HydrophobicContact CG1-CG 4.05Å; V97-L99 PolarHBondContact O-N 3.42Å; L99-V101 PolarHBondContact O-N 2.94Å; L99-V101 VanDerWaalsContact O-N 3.17Å
100	A	25	Very low	27.8	Very low	33 Å²	33	97.8 Å²	97.8	27%	0.273	52%	0.518	S	S	.	.			trans	-77.7	101.2	168.6	0	0	0	0	0	108.6	V98 N102 V166 L170 I183	V98-A100 HydrophobicContact CG1-CB 4.28Å; V98-A100 PolarHBondContact O-N 2.84Å; A100-N102 PolarHBondContact O-N 3.07Å; A100-V166 HydrophobicContact CB-CG1 3.31Å; A100-L170 HydrophobicContact CB-CD1 3.41Å; A100-L170 VanDerWaalsContact CB-CD1 3.41Å; A100-I183 WeakPolarHBondContact O-CD1 3.2Å
101	V	23.7	Very low	27.9	Very low	58 Å²	58	98.1 Å²	98.1	35%	0.352	51%	0.514	S	S	.	.			trans	-79	111.7	166.3	178.9	0	0	0	0	106.4	V51 L99 P103	V51-V101 HydrophobicContact CG1-CB 4.29Å; V51-V101 HydrophobicContact CG1-CG2 4.37Å; V51-V101 HydrophobicContact CG2-CB 4.47Å; L99-V101 PolarHBondContact O-N 2.94Å; L99-V101 VanDerWaalsContact O-N 3.17Å; V101-P103 WeakPolarHBondContact O-CD 3.43Å; V101-P103 VanDerWaalsContact O-N 3.08Å
102	N	27.6	Very low	27.4	Very low	29 Å²	29	99.8 Å²	99.8	16%	0.155	50%	0.503	C	S	.	.			trans	-57.5	111.7	173.4	-172.5	-20.1	0	0	0	109.1	A100 L104 E105 I183	A100-N102 PolarHBondContact O-N 3.07Å; N102-L104 PolarHBondContact O-N 3.01Å; N102-L104 WeakPolarHBondContact OD1-CB 3.39Å; N102-L104 PolarHBondContact OD1-N 2.92Å; N102-L104 VanDerWaalsContact OD1-N 3.14Å; N102-E105 PolarHBondContact O-N 3.13Å; N102-I183 HydrophobicContact CB-CD1 4.43Å; N102-I183 HydrophobicContact CB-CG1 4.11Å
103	P	26.6	Very low	27.1	Very low	39 Å²	39	101 Å²	101	25%	0.253	50%	0.5	S	S	.	.	H	α-helix	trans	-62	-28.8	-175.9	-20.3	31.9	0	0	0	112.4	M48 V101 E105 R106	M48-P103 HydrophobicContact CG-CG 4.23Å; V101-P103 WeakPolarHBondContact O-CD 3.43Å; V101-P103 VanDerWaalsContact O-N 3.08Å; P103-E105 VanDerWaalsContact C-N 3.3Å; P103-E105 PolarHBondContact O-N 2.61Å; P103-R106 PolarHBondContact O-N 2.76Å
104	L	28.5	Very low	26.9	Very low	65 Å²	65	98.6 Å²	98.6	34%	0.34	49%	0.492	S	S	.	.	H	α-helix	trans	-71	-23.8	-177.1	-65	169.5	0	0	0	112.9	V14 N102 R108	V14-L104 HydrophobicContact CG1-CD1 3.8Å; V14-L104 HydrophobicContact CG1-CD2 3.97Å; V14-L104 VanDerWaalsContact O-CD2 3.32Å; V14-L104 WeakPolarHBondContact O-CD2 3.32Å; N102-L104 PolarHBondContact O-N 3.01Å; N102-L104 WeakPolarHBondContact OD1-CB 3.39Å; N102-L104 PolarHBondContact OD1-N 2.92Å; N102-L104 VanDerWaalsContact OD1-N 3.14Å; L104-R108 WeakPolarHBondContact O-CG 3.44Å; L104-R108 PolarHBondContact O-N 2.89Å
105	E	29.4	Very low	26.7	Very low	47 Å²	47	101.5 Å²	101.5	22%	0.22	49%	0.492	C	S	.	.	H	α-helix	trans	-72.8	-33.2	177.6	-88.7	-171.1	152.9	0	0	112.8	N102 P103 D107 R108 K109	N102-E105 PolarHBondContact O-N 3.13Å; P103-E105 VanDerWaalsContact C-N 3.3Å; P103-E105 PolarHBondContact O-N 2.61Å; E105-D107 VanDerWaalsContact C-N 3.29Å; E105-D107 PolarHBondContact O-N 2.9Å; E105-R108 PolarHBondContact O-N 3.42Å; E105-K109 VanDerWaalsContact O-CG 3.31Å; E105-K109 WeakPolarHBondContact O-CG 2.9Å; E105-K109 PolarHBondContact O-N 3.29Å
106	R	28.3	Very low	26.7	Very low	167 Å²	167	103.6 Å²	103.6	63%	0.63	50%	0.495	S	S	*	.	H	α-helix	trans	-67.1	-34.5	-179.9	-162.8	175.5	-172.1	178.2	2.5	111.6	P103 R110	P103-R106 PolarHBondContact O-N 2.76Å; R106-R110 PolarHBondContact O-N 3.08Å
107	D	29	Very low	26.8	Very low	60 Å²	60	105.1 Å²	105.1	32%	0.321	51%	0.507	S	S	.	.	H	α-helix	trans	-81.7	-32.3	175.7	-76.2	-12.9	0	0	0	112.4	K47 E105 K109 R110 I111	K47-D107 IonicContact NZ-OD1 2.71Å; E105-D107 VanDerWaalsContact C-N 3.29Å; E105-D107 PolarHBondContact O-N 2.9Å; D107-K109 VanDerWaalsContact C-N 3.25Å; D107-K109 PolarHBondContact O-N 3.2Å; D107-R110 PolarHBondContact O-N 2.7Å; D107-I111 WeakPolarHBondContact O-CG1 3.25Å; D107-I111 PolarHBondContact O-N 2.78Å
108	R	28	Very low	26.8	Very low	135 Å²	135	105.7 Å²	105.7	51%	0.509	51%	0.511	S	S	.	.	H	α-helix	trans	-56.5	-40.2	166.3	-82	-177.1	170.8	175.2	0.6	112.1	L104 E105 R110 I111 R112	L104-R108 WeakPolarHBondContact O-CG 3.44Å; L104-R108 PolarHBondContact O-N 2.89Å; E105-R108 PolarHBondContact O-N 3.42Å; R108-R110 VanDerWaalsContact C-N 3.29Å; R108-R110 PolarHBondContact O-N 2.93Å; R108-I111 PolarHBondContact O-N 3.17Å; R108-R112 WeakPolarHBondContact O-CB 3.16Å; R108-R112 WeakPolarHBondContact O-CG 3.46Å; R108-R112 PolarHBondContact O-N 3.25Å
109	K	31.2	Very low	27	Very low	94 Å²	94	107.5 Å²	107.5	41%	0.409	52%	0.524	S	S	.	.	H	α-helix	trans	-64.2	-30.7	175.2	-73.5	-179.4	-175.3	-162.6	0	113.1	E105 D107	E105-K109 VanDerWaalsContact O-CG 3.31Å; E105-K109 WeakPolarHBondContact O-CG 2.9Å; E105-K109 PolarHBondContact O-N 3.29Å; D107-K109 VanDerWaalsContact C-N 3.25Å; D107-K109 PolarHBondContact O-N 3.2Å
110	R	28.1	Very low	27.1	Very low	191 Å²	191	107.7 Å²	107.7	72%	0.721	53%	0.525	S	S	*	.	H	α-helix	trans	-80.3	-37.3	178.6	-139.8	-179.6	-166.2	-156.4	1.4	112.1	R106 D107 R108	R106-R110 PolarHBondContact O-N 3.08Å; D107-R110 PolarHBondContact O-N 2.7Å; R108-R110 VanDerWaalsContact C-N 3.29Å; R108-R110 PolarHBondContact O-N 2.93Å
111	I	29.1	Very low	27	Very low	93 Å²	93	113.2 Å²	113.2	48%	0.477	55%	0.55	S	S	.	*	H	α-helix	trans	-72.4	-39.6	178.3	-62.9	170.1	0	0	0	111	D107 R108 R113 L114	D107-I111 WeakPolarHBondContact O-CG1 3.25Å; D107-I111 PolarHBondContact O-N 2.78Å; R108-I111 PolarHBondContact O-N 3.17Å; I111-R113 PolarHBondContact O-N 2.71Å; I111-L114 PolarHBondContact O-N 2.82Å
112	R	26.9	Very low	27.2	Very low	167 Å²	167	117.3 Å²	117.3	63%	0.63	57%	0.57	S	S	*	*	H	α-helix	trans	-65.9	-20.5	179.1	-75.9	-176.6	175.3	-179.9	-4	114.6	R108 L114 D187	R108-R112 WeakPolarHBondContact O-CB 3.16Å; R108-R112 WeakPolarHBondContact O-CG 3.46Å; R108-R112 PolarHBondContact O-N 3.25Å; R112-L114 VanDerWaalsContact C-N 3.3Å; R112-D187 IonicContact CZ-OD2 2.74Å; R112-D187 IonicContact NH1-OD1 3.6Å; R112-D187 PolarHBondContact NH1-OD1 3.37Å; R112-D187 VanDerWaalsContact NH1-OD1 3.12Å; R112-D187 IonicContact NH1-OD2 2.82Å; R112-D187 PolarHBondContact NH1-OD2 3.38Å; R112-D187 IonicContact NH2-OD2 2.68Å
113	R	26.9	Very low	27.2	Very low	202 Å²	202	122 Å²	122	76%	0.762	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-8.6	171.6	-69.3	-173.2	-179.2	-164.8	0.3	113.1	I111	I111-R113 PolarHBondContact O-N 2.71Å
114	L	25	Very low	27.5	Very low	106 Å²	106	121.9 Å²	121.9	56%	0.555	60%	0.604	S	S	*	*	S	Bend	trans	-111.5	88.5	-179.2	-75.2	164.2	0	0	0	110.3	I111 R112	I111-L114 PolarHBondContact O-N 2.82Å; R112-L114 VanDerWaalsContact C-N 3.3Å
115	K	26.2	Very low	27.8	Very low	187 Å²	187	126.8 Å²	126.8	81%	0.813	63%	0.631	S	S	*	*			trans	71.9	153	156.7	-77.7	-178.5	175	-179.7	0	118.3
116	P	26.8	Very low	27.9	Very low	100 Å²	100	131.6 Å²	131.6	65%	0.649	65%	0.648	S	S	*	*			trans	-66.1	163.8	-169.7	-9.9	26	0	0	0	111.3	T118	P116-T118 PolarHBondContact O-N 2.73Å; P116-T118 PolarHBondContact O-OG1 2.63Å
117	P	27.6	Very low	28.5	Very low	128 Å²	128	126.2 Å²	126.2	83%	0.831	64%	0.637	S	S	*	*			trans	-70	76.8	-177.5	31.9	-35	0	0	0	110	P119	P117-P119 WeakPolarHBondContact O-CD 3.27Å
118	T	23.7	Very low	29.4	Very low	117 Å²	117	125.8 Å²	125.8	72%	0.718	64%	0.638	S	S	*	*			trans	-63.7	118.8	158.7	18.4	0	0	0	0	106.3	P116 L120	P116-T118 PolarHBondContact O-N 2.73Å; P116-T118 PolarHBondContact O-OG1 2.63Å; T118-L120 PolarHBondContact O-N 2.84Å
119	P	26.3	Very low	30.5	Very low	113 Å²	113	123.2 Å²	123.2	73%	0.734	64%	0.635	S	S	*	*			trans	-54.7	120.8	177.4	21	-29.5	0	0	0	107.7	P117 N121	P117-P119 WeakPolarHBondContact O-CD 3.27Å; P119-N121 VanDerWaalsContact C-N 3.34Å; P119-N121 PolarHBondContact O-N 2.91Å
120	L	24.5	Very low	31.2	Very low	130 Å²	130	122.7 Å²	122.7	68%	0.681	63%	0.633	S	S	*	*			trans	-62.9	93.3	-175.9	-70.8	157	0	0	0	108.4	P19 T118 L122	P19-L120 HydrophobicContact CB-CD2 3.86Å; T118-L120 PolarHBondContact O-N 2.84Å; L120-L122 PolarHBondContact O-N 3.18Å
121	N	23.1	Very low	32.1	Very low	149 Å²	149	116.5 Å²	116.5	80%	0.797	62%	0.615	S	S	*	*			trans	-68.6	86.2	156.4	-78.3	-12.3	0	0	0	105.8	P119 V123	P119-N121 VanDerWaalsContact C-N 3.34Å; P119-N121 PolarHBondContact O-N 2.91Å; N121-V123 PolarHBondContact O-N 3.38Å
122	L	29.5	Very low	33.2	Very low	145 Å²	145	112.3 Å²	112.3	76%	0.759	59%	0.593	S	S	*	*			trans	-49.7	104.4	167.5	-76.4	157.9	0	0	0	106.8	L120 G124	L120-L122 PolarHBondContact O-N 3.18Å; L122-G124 PolarHBondContact O-N 3.39Å; L122-G124 VanDerWaalsContact O-N 3.17Å
123	V	26.3	Very low	34.4	Very low	128 Å²	128	110.6 Å²	110.6	78%	0.776	59%	0.59	S	S	*	*	S	Bend	trans	-68.8	113.4	-178.7	175.5	0	0	0	0	107.7	N121	N121-V123 PolarHBondContact O-N 3.38Å
124	G	32.4	Very low	35.4	Very low	35 Å²	35	104.4 Å²	104.4	36%	0.361	58%	0.577	S	S	.	*	S	Bend	trans	96	119.5	-176.2	0	0	0	0	0	110.6	L122 Y126	L122-G124 PolarHBondContact O-N 3.39Å; L122-G124 VanDerWaalsContact O-N 3.17Å; G124-Y126 PolarHBondContact O-N 2.86Å
125	D	35.8	Very low	36.6	Very low	169 Å²	169	101.4 Å²	101.4	90%	0.904	56%	0.559	S	S	*	*			trans	-63.5	51.8	176.1	-65.4	-50.7	0	0	0	112.5	S127 Q130	D125-S127 PolarHBondContact O-N 3.37Å; D125-Q130 PolarHBondContact O-OE1 3.42Å
126	Y	32.1	Very low	37.9	Very low	147 Å²	147	93 Å²	93	58%	0.576	52%	0.523	S	S	*	.			trans	-81.5	114.5	178	-67.5	-72.5	0	0	0	108.8	G124 Q130	G124-Y126 PolarHBondContact O-N 2.86Å; Y126-Q130 HydrophobicContact CD1-CB 4.03Å
127	S	40.9	Very low	39	Very low	55 Å²	55	91 Å²	91	39%	0.385	52%	0.515	S	S	.	.			trans	-61.6	155.3	171.1	72.3	0	0	0	0	109.9	D125 D129 Q130 L131	D125-S127 PolarHBondContact O-N 3.37Å; S127-D129 PolarHBondContact O-N 3.34Å; S127-D129 VanDerWaalsContact O-N 3.08Å; S127-Q130 WeakPolarHBondContact O-CB 3.35Å; S127-Q130 PolarHBondContact O-N 2.83Å; S127-Q130 PolarHBondContact OG-N 3.49Å; S127-L131 PolarHBondContact O-N 2.93Å
128	S	46.5	Very low	39.8	Very low	51 Å²	51	89.7 Å²	89.7	36%	0.357	49%	0.494	S	S	.	.	H	α-helix	trans	-50.7	-36	174.4	-174.8	0	0	0	0	111.8	S10 Q130 L131 D132	S10-S128 VanDerWaalsContact CB-OG 3.32Å; S10-S128 WeakPolarHBondContact CB-OG 3.31Å; S128-Q130 VanDerWaalsContact C-N 3.35Å; S128-Q130 PolarHBondContact O-N 3.08Å; S128-L131 PolarHBondContact O-N 2.92Å; S128-D132 PolarHBondContact O-N 3.09Å
129	D	50.9	Low	40.9	Very low	81 Å²	81	85 Å²	85	43%	0.433	47%	0.465	S	S	.	.	H	α-helix	trans	-65.7	-35.5	177.7	-66	-31	0	0	0	112.7	S127 K133 R153	S127-D129 PolarHBondContact O-N 3.34Å; S127-D129 VanDerWaalsContact O-N 3.08Å; D129-K133 WeakPolarHBondContact O-CB 3.2Å; D129-K133 WeakPolarHBondContact O-CG 3.15Å; D129-K133 PolarHBondContact O-N 3.05Å; D129-R153 IonicContact OD1-CZ 3.83Å; D129-R153 IonicContact OD1-NH1 3.67Å; D129-R153 IonicContact OD1-NH2 3.76Å; D129-R153 PolarHBondContact OD1-NH2 2.96Å
130	Q	46.8	Very low	42	Very low	82 Å²	82	81.6 Å²	81.6	38%	0.383	44%	0.441	S	S	.	.	H	α-helix	trans	-69.2	-41.3	176.9	-74.8	171.3	-47.1	0	0	111.4	D125 Y126 S127 S128 D132 K133 C134	D125-Q130 PolarHBondContact O-OE1 3.42Å; Y126-Q130 HydrophobicContact CD1-CB 4.03Å; S127-Q130 WeakPolarHBondContact O-CB 3.35Å; S127-Q130 PolarHBondContact O-N 2.83Å; S127-Q130 PolarHBondContact OG-N 3.49Å; S128-Q130 VanDerWaalsContact C-N 3.35Å; S128-Q130 PolarHBondContact O-N 3.08Å; Q130-D132 VanDerWaalsContact C-N 3.35Å; Q130-K133 PolarHBondContact O-N 3.06Å; Q130-C134 WeakPolarHBondContact O-CB 3.05Å; Q130-C134 PolarHBondContact O-N 2.82Å; Q130-C134 PolarHBondContact O-SG 3.47Å
131	L	46.4	Very low	43.1	Very low	62 Å²	62	82.7 Å²	82.7	33%	0.325	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-44	175.4	-67.1	176.1	0	0	0	111.5	A12 S127 S128 C134 F135	A12-L131 HydrophobicContact CB-CB 4.15Å; A12-L131 HydrophobicContact CB-CD1 3.98Å; S127-L131 PolarHBondContact O-N 2.93Å; S128-L131 PolarHBondContact O-N 2.92Å; L131-C134 PolarHBondContact O-N 2.82Å; L131-F135 WeakPolarHBondContact O-CB 2.99Å; L131-F135 PolarHBondContact O-N 3.35Å
132	D	52.3	Low	44.1	Very low	4 Å²	4	79.5 Å²	79.5	2%	0.021	43%	0.426	C	S	.	.	H	α-helix	trans	-64.3	-43.4	178.2	-67	-12.7	0	0	0	111.2	S128 Q130 C134 F135 V136 V149 R153	S128-D132 PolarHBondContact O-N 3.09Å; Q130-D132 VanDerWaalsContact C-N 3.35Å; D132-C134 PolarHBondContact O-N 3.37Å; D132-F135 PolarHBondContact O-N 3.46Å; D132-V136 WeakPolarHBondContact O-CB 3.48Å; D132-V136 VanDerWaalsContact O-CG2 3.28Å; D132-V136 WeakPolarHBondContact O-CG2 3.31Å; D132-V136 PolarHBondContact O-N 2.83Å; D132-V149 HydrophobicContact CB-CG1 3.71Å; D132-V149 HydrophobicContact CB-CG2 4.16Å; D132-R153 IonicContact OD2-CZ 3.19Å; D132-R153 VanDerWaalsContact OD2-CZ 3.32Å; D132-R153 IonicContact OD2-NE 3.96Å; D132-R153 PolarHBondContact OD2-NE 3.05Å; D132-R153 IonicContact OD2-NH2 3.12Å; D132-R153 PolarHBondContact OD2-NH2 3Å
133	K	53.1	Low	44.8	Very low	132 Å²	132	80 Å²	80	57%	0.574	42%	0.419	S	S	*	.	H	α-helix	trans	-61.3	-43.8	175.6	-75.9	173.5	-175.7	179.6	0	112.2	D129 Q130 V136 A137 V149	D129-K133 WeakPolarHBondContact O-CB 3.2Å; D129-K133 WeakPolarHBondContact O-CG 3.15Å; D129-K133 PolarHBondContact O-N 3.05Å; Q130-K133 PolarHBondContact O-N 3.06Å; K133-V136 PolarHBondContact O-N 2.88Å; K133-A137 WeakPolarHBondContact O-CB 3.48Å; K133-A137 PolarHBondContact O-N 2.81Å; K133-V149 HydrophobicContact CB-CG2 4.4Å; K133-V149 HydrophobicContact CG-CG2 3.75Å
134	C	47.4	Very low	45.7	Very low	71 Å²	71	77.2 Å²	77.2	48%	0.48	42%	0.416	S	S	.	.	H	α-helix	trans	-63.5	-41.3	177.5	-75.4	0	0	0	0	112	Q130 L131 D132 R138	Q130-C134 WeakPolarHBondContact O-CB 3.05Å; Q130-C134 PolarHBondContact O-N 2.82Å; Q130-C134 PolarHBondContact O-SG 3.47Å; L131-C134 PolarHBondContact O-N 2.82Å; D132-C134 PolarHBondContact O-N 3.37Å; C134-R138 WeakPolarHBondContact O-CG 3.32Å; C134-R138 PolarHBondContact O-N 3.17Å
135	F	50.6	Low	46.4	Very low	43 Å²	43	77.3 Å²	77.3	19%	0.189	41%	0.41	C	S	.	.	H	α-helix	trans	-61.4	-49.5	174.8	177.4	-98.5	0	0	0	111.2	I15 L131 D132 R138 C139 V152	I15-F135 HydrophobicContact CD1-CD2 4.2Å; I15-F135 HydrophobicContact CD1-CE2 3.54Å; I15-F135 HydrophobicContact CD1-CZ 3.76Å; L131-F135 WeakPolarHBondContact O-CB 2.99Å; L131-F135 PolarHBondContact O-N 3.35Å; D132-F135 PolarHBondContact O-N 3.46Å; F135-R138 PolarHBondContact O-N 3.4Å; F135-C139 VanDerWaalsContact CZ-SG 3.57Å; F135-C139 PolarHBondContact O-N 2.94Å; F135-C139 PolarHBondContact O-SG 3.12Å; F135-V152 HydrophobicContact CD1-CG1 4.08Å; F135-V152 HydrophobicContact CD1-CG2 4.5Å; F135-V152 HydrophobicContact CE1-CG1 3.75Å; F135-V152 HydrophobicContact CE1-CG2 4.35Å
136	V	52.2	Low	47.6	Very low	10 Å²	10	78.3 Å²	78.3	6%	0.061	41%	0.406	C	S	.	.	H	α-helix	trans	-60.8	-48.9	179.4	167.9	0	0	0	0	112.3	D132 K133 R138 C139 N140 M147 V149 V152	D132-V136 WeakPolarHBondContact O-CB 3.48Å; D132-V136 VanDerWaalsContact O-CG2 3.28Å; D132-V136 WeakPolarHBondContact O-CG2 3.31Å; D132-V136 PolarHBondContact O-N 2.83Å; K133-V136 PolarHBondContact O-N 2.88Å; V136-R138 PolarHBondContact O-N 3.41Å; V136-C139 PolarHBondContact O-N 3.35Å; V136-N140 WeakPolarHBondContact O-CB 2.92Å; V136-N140 PolarHBondContact O-N 3.14Å; V136-N140 PolarHBondContact O-OD1 2.85Å; V136-M147 HydrophobicContact CG1-CB 4.26Å; V136-M147 WeakPolarHBondContact CG1-O 3.31Å; V136-V149 HydrophobicContact CB-CG2 4.36Å; V136-V149 HydrophobicContact CG2-CB 4.43Å; V136-V149 HydrophobicContact CG2-CG2 3.87Å; V136-V152 HydrophobicContact CG2-CB 4.35Å; V136-V152 HydrophobicContact CG2-CG2 3.6Å
137	A	49.7	Very low	48.7	Very low	58 Å²	58	72.2 Å²	72.2	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-56.5	-41.8	180	0	0	0	0	0	111.3	K133 N140 E141	K133-A137 WeakPolarHBondContact O-CB 3.48Å; K133-A137 PolarHBondContact O-N 2.81Å; A137-N140 WeakPolarHBondContact O-CB 3.13Å; A137-N140 PolarHBondContact O-N 2.86Å; A137-E141 WeakPolarHBondContact O-CB 3.41Å; A137-E141 PolarHBondContact O-N 3.29Å
138	R	46	Very low	49.7	Very low	102 Å²	102	73 Å²	73	39%	0.385	39%	0.385	S	S	.	.	H	α-helix	trans	-72.6	-38.2	177.7	-76.2	-178.4	168.7	-173.1	-4.1	113.7	M34 C134 F135 V136 N140 E141 N142	M34-R138 VanDerWaalsContact CG-NH1 3.31Å; C134-R138 WeakPolarHBondContact O-CG 3.32Å; C134-R138 PolarHBondContact O-N 3.17Å; F135-R138 PolarHBondContact O-N 3.4Å; V136-R138 PolarHBondContact O-N 3.41Å; R138-N140 VanDerWaalsContact C-N 3.25Å; R138-N140 PolarHBondContact O-N 3.4Å; R138-E141 PolarHBondContact O-N 3.45Å; R138-N142 WeakPolarHBondContact O-CB 3.43Å; R138-N142 PolarHBondContact O-N 2.89Å
139	C	47.2	Very low	50.1	Low	17 Å²	17	71.8 Å²	71.8	12%	0.115	38%	0.376	C	S	.	.	H	α-helix	trans	-58.4	-44	171.6	-77.3	0	0	0	0	110.5	F135 V136 Y143 V145 M147	F135-C139 VanDerWaalsContact CZ-SG 3.57Å; F135-C139 PolarHBondContact O-N 2.94Å; F135-C139 PolarHBondContact O-SG 3.12Å; V136-C139 PolarHBondContact O-N 3.35Å; C139-Y143 HydrophobicContact CB-CD2 4.4Å; C139-Y143 WeakPolarHBondContact O-CB 3.34Å; C139-Y143 WeakPolarHBondContact O-CD2 3.46Å; C139-Y143 PolarHBondContact O-N 3.23Å; C139-V145 VanDerWaalsContact O-CG2 3.28Å; C139-V145 WeakPolarHBondContact O-CG2 3.41Å; C139-M147 HydrophobicContact CB-SD 3.83Å
140	N	48	Very low	50.5	Low	42 Å²	42	72.2 Å²	72.2	23%	0.225	38%	0.378	C	S	.	.	H	α-helix	trans	-61.7	-44.7	177.7	-68.7	-10.4	0	0	0	112.3	V136 A137 R138 G144 V145 M147	V136-N140 WeakPolarHBondContact O-CB 2.92Å; V136-N140 PolarHBondContact O-N 3.14Å; V136-N140 PolarHBondContact O-OD1 2.85Å; A137-N140 WeakPolarHBondContact O-CB 3.13Å; A137-N140 PolarHBondContact O-N 2.86Å; R138-N140 VanDerWaalsContact C-N 3.25Å; R138-N140 PolarHBondContact O-N 3.4Å; N140-G144 CarbonylContact O-C 3.58Å; N140-G144 VanDerWaalsContact O-CA 3.26Å; N140-G144 WeakPolarHBondContact O-CA 3.28Å; N140-G144 PolarHBondContact O-N 2.93Å; N140-V145 WeakPolarHBondContact CA-O 3.06Å; N140-V145 WeakPolarHBondContact CB-O 3.16Å; N140-V145 PolarHBondContact O-N 3.39Å; N140-V145 PolarHBondContact OD1-O 2.96Å; N140-V145 VanDerWaalsContact OD1-O 3.08Å; N140-M147 PolarHBondContact ND2-O 3.04Å; N140-M147 WeakPolarHBondContact OD1-CA 3.44Å; N140-M147 VanDerWaalsContact OD1-CB 3.29Å; N140-M147 WeakPolarHBondContact OD1-CB 3.46Å; N140-M147 WeakPolarHBondContact OD1-CG 3.33Å; N140-M147 PolarHBondContact OD1-N 3.29Å
141	E	47.6	Very low	50.6	Low	153 Å²	153	70.3 Å²	70.3	72%	0.715	37%	0.371	S	S	*	.	H	α-helix	trans	-64.4	-50.6	177.1	-173.2	175.6	-163.9	0	0	112.2	A137 R138	A137-E141 WeakPolarHBondContact O-CB 3.41Å; A137-E141 PolarHBondContact O-N 3.29Å; R138-E141 PolarHBondContact O-N 3.45Å
142	N	43.8	Very low	50.8	Low	83 Å²	83	67.9 Å²	67.9	44%	0.444	36%	0.359	S	S	.	.	H	α-helix	trans	-75	-36.6	-172.5	-75.4	-4.8	0	0	0	113.7	R138	R138-N142 WeakPolarHBondContact O-CB 3.43Å; R138-N142 PolarHBondContact O-N 2.89Å
143	Y	44.8	Very low	50.6	Low	154 Å²	154	70.8 Å²	70.8	60%	0.604	37%	0.369	S	S	*	.	H	α-helix	trans	-104.1	2.6	-175.8	-56.8	-75.7	0	0	0	112.7	C139 V145	C139-Y143 HydrophobicContact CB-CD2 4.4Å; C139-Y143 WeakPolarHBondContact O-CB 3.34Å; C139-Y143 WeakPolarHBondContact O-CD2 3.46Å; C139-Y143 PolarHBondContact O-N 3.23Å; Y143-V145 PolarHBondContact O-N 3.47Å
144	G	45	Very low	50.3	Low	71 Å²	71	71 Å²	71	73%	0.732	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	27.2	-178.2	0	0	0	0	0	112.9	N140	N140-G144 CarbonylContact O-C 3.58Å; N140-G144 VanDerWaalsContact O-CA 3.26Å; N140-G144 WeakPolarHBondContact O-CA 3.28Å; N140-G144 PolarHBondContact O-N 2.93Å
145	V	48.3	Very low	50.2	Low	36 Å²	36	69.1 Å²	69.1	22%	0.218	36%	0.356	C	S	.	.			trans	-99.1	163.6	-176	-71.6	0	0	0	0	111.9	V73 C139 N140 Y143 M147	V73-V145 HydrophobicContact CG1-CB 3.39Å; V73-V145 HydrophobicContact CG1-CG1 3.54Å; V73-V145 HydrophobicContact CG1-CG2 4.16Å; C139-V145 VanDerWaalsContact O-CG2 3.28Å; C139-V145 WeakPolarHBondContact O-CG2 3.41Å; N140-V145 WeakPolarHBondContact CA-O 3.06Å; N140-V145 WeakPolarHBondContact CB-O 3.16Å; N140-V145 PolarHBondContact O-N 3.39Å; N140-V145 PolarHBondContact OD1-O 2.96Å; N140-V145 VanDerWaalsContact OD1-O 3.08Å; Y143-V145 PolarHBondContact O-N 3.47Å; V145-M147 HydrophobicContact CB-CG 4.1Å; V145-M147 HydrophobicContact CG2-CG 3.67Å; V145-M147 HydrophobicContact CG2-SD 3.73Å
146	K	59.8	Low	50.1	Low	191 Å²	191	68.5 Å²	68.5	83%	0.83	35%	0.353	S	S	*	.			trans	-121.6	70.9	174.8	-69.9	-174.8	-179.9	179.7	0	110.4
147	M	55.6	Low	49.7	Very low	19 Å²	19	71.5 Å²	71.5	9%	0.094	37%	0.368	C	S	.	.			trans	-85.5	147	174.9	-47.6	179.5	78.3	0	0	110.1	L69 V73 V136 C139 N140 V145 V152	L69-M147 HydrophobicContact CD2-CE 4.27Å; V73-M147 HydrophobicContact CB-CG 4.27Å; V73-M147 HydrophobicContact CG1-CG 3.46Å; V73-M147 VanDerWaalsContact CG1-CG 3.46Å; V73-M147 HydrophobicContact CG1-SD 4.32Å; V73-M147 HydrophobicContact CG2-CE 3.31Å; V73-M147 HydrophobicContact CG2-CG 3.68Å; V73-M147 HydrophobicContact CG2-SD 3.92Å; V136-M147 HydrophobicContact CG1-CB 4.26Å; V136-M147 WeakPolarHBondContact CG1-O 3.31Å; C139-M147 HydrophobicContact CB-SD 3.83Å; N140-M147 PolarHBondContact ND2-O 3.04Å; N140-M147 WeakPolarHBondContact OD1-CA 3.44Å; N140-M147 VanDerWaalsContact OD1-CB 3.29Å; N140-M147 WeakPolarHBondContact OD1-CB 3.46Å; N140-M147 WeakPolarHBondContact OD1-CG 3.33Å; N140-M147 PolarHBondContact OD1-N 3.29Å; V145-M147 HydrophobicContact CB-CG 4.1Å; V145-M147 HydrophobicContact CG2-CG 3.67Å; V145-M147 HydrophobicContact CG2-SD 3.73Å; M147-V152 HydrophobicContact CB-CG2 4.46Å; M147-V152 HydrophobicContact CE-CG2 3.8Å
148	T	61.2	Low	49.3	Very low	70 Å²	70	73.7 Å²	73.7	43%	0.429	37%	0.368	S	S	.	.			trans	-104.4	164.9	164	69.3	0	0	0	0	110.5	D150 D151 V152	T148-D150 PolarHBondContact O-N 2.9Å; T148-D151 WeakPolarHBondContact CB-OD2 3.47Å; T148-D151 PolarHBondContact N-OD2 3.12Å; T148-D151 PolarHBondContact O-N 3.03Å; T148-D151 VanDerWaalsContact O-N 3.15Å; T148-D151 PolarHBondContact OG1-N 3.35Å; T148-D151 PolarHBondContact OG1-OD1 3.43Å; T148-D151 PolarHBondContact OG1-OD2 2.92Å; T148-V152 PolarHBondContact O-N 3.46Å
149	V	55.8	Low	49.3	Very low	27 Å²	27	72.9 Å²	72.9	16%	0.164	37%	0.366	C	S	.	.	H	α-helix	trans	-56.8	-38.7	173.1	171	0	0	0	0	111.4	D132 K133 V136 D151 V152 R153	D132-V149 HydrophobicContact CB-CG1 3.71Å; D132-V149 HydrophobicContact CB-CG2 4.16Å; K133-V149 HydrophobicContact CB-CG2 4.4Å; K133-V149 HydrophobicContact CG-CG2 3.75Å; V136-V149 HydrophobicContact CB-CG2 4.36Å; V136-V149 HydrophobicContact CG2-CB 4.43Å; V136-V149 HydrophobicContact CG2-CG2 3.87Å; V149-D151 VanDerWaalsContact C-N 3.32Å; V149-D151 PolarHBondContact O-N 3.41Å; V149-V152 PolarHBondContact O-N 2.97Å; V149-R153 HydrophobicContact CG1-CG 4.29Å; V149-R153 WeakPolarHBondContact O-CB 3.3Å; V149-R153 WeakPolarHBondContact O-CG 3.44Å; V149-R153 PolarHBondContact O-N 3.23Å
150	D	58.9	Low	49.1	Very low	90 Å²	90	75.8 Å²	75.8	48%	0.481	38%	0.378	S	S	.	.	H	α-helix	trans	-68.9	-30.5	179.5	-65.2	-35.9	0	0	0	112.7	T148 R154	T148-D150 PolarHBondContact O-N 2.9Å; D150-R154 WeakPolarHBondContact O-CB 3.45Å; D150-R154 WeakPolarHBondContact O-CG 3.43Å; D150-R154 PolarHBondContact O-N 3.44Å; D150-R154 PolarHBondContact O-NE 2.94Å
151	D	49.2	Very low	48.9	Very low	41 Å²	41	80.6 Å²	80.6	22%	0.219	39%	0.394	C	S	.	.	H	α-helix	trans	-67.5	-44.5	174.9	-58.2	-39.8	0	0	0	110.8	T148 V149 R154 A155	T148-D151 WeakPolarHBondContact CB-OD2 3.47Å; T148-D151 PolarHBondContact N-OD2 3.12Å; T148-D151 PolarHBondContact O-N 3.03Å; T148-D151 VanDerWaalsContact O-N 3.15Å; T148-D151 PolarHBondContact OG1-N 3.35Å; T148-D151 PolarHBondContact OG1-OD1 3.43Å; T148-D151 PolarHBondContact OG1-OD2 2.92Å; V149-D151 VanDerWaalsContact C-N 3.32Å; V149-D151 PolarHBondContact O-N 3.41Å; D151-R154 PolarHBondContact O-N 3.48Å; D151-R154 IonicContact OD1-NH2 3.02Å; D151-A155 WeakPolarHBondContact O-CB 3.28Å; D151-A155 PolarHBondContact O-N 2.83Å
152	V	50.9	Low	48.7	Very low	12 Å²	12	75.8 Å²	75.8	7%	0.073	38%	0.38	C	S	.	.	H	α-helix	trans	-66.3	-43.5	177.5	-174.4	0	0	0	0	110.7	I11 F135 V136 M147 T148 V149 R154 A155 F156	I11-V152 HydrophobicContact CD1-CB 4.1Å; I11-V152 HydrophobicContact CD1-CG1 3.5Å; I11-V152 VanDerWaalsContact CD1-CG1 3.5Å; I11-V152 HydrophobicContact CG1-CG1 4.35Å; I11-V152 HydrophobicContact CG2-CG1 4.36Å; F135-V152 HydrophobicContact CD1-CG1 4.08Å; F135-V152 HydrophobicContact CD1-CG2 4.5Å; F135-V152 HydrophobicContact CE1-CG1 3.75Å; F135-V152 HydrophobicContact CE1-CG2 4.35Å; V136-V152 HydrophobicContact CG2-CB 4.35Å; V136-V152 HydrophobicContact CG2-CG2 3.6Å; M147-V152 HydrophobicContact CB-CG2 4.46Å; M147-V152 HydrophobicContact CE-CG2 3.8Å; T148-V152 PolarHBondContact O-N 3.46Å; V149-V152 PolarHBondContact O-N 2.97Å; V152-R154 VanDerWaalsContact C-N 3.34Å; V152-R154 PolarHBondContact O-N 2.7Å; V152-A155 PolarHBondContact O-N 3.32Å; V152-F156 VanDerWaalsContact O-CB 3.29Å; V152-F156 WeakPolarHBondContact O-CB 3.34Å; V152-F156 PolarHBondContact O-N 3.05Å
153	R	47.8	Very low	48.7	Very low	65 Å²	65	74 Å²	74	25%	0.245	37%	0.37	C	S	.	.	H	α-helix	trans	-60	-43.3	176	-75.6	176.5	176.9	175.1	-2.5	111.7	I11 D129 D132 V149 F156 I157	I11-R153 HydrophobicContact CD1-CG 3.98Å; D129-R153 IonicContact OD1-CZ 3.83Å; D129-R153 IonicContact OD1-NH1 3.67Å; D129-R153 IonicContact OD1-NH2 3.76Å; D129-R153 PolarHBondContact OD1-NH2 2.96Å; D132-R153 IonicContact OD2-CZ 3.19Å; D132-R153 VanDerWaalsContact OD2-CZ 3.32Å; D132-R153 IonicContact OD2-NE 3.96Å; D132-R153 PolarHBondContact OD2-NE 3.05Å; D132-R153 IonicContact OD2-NH2 3.12Å; D132-R153 PolarHBondContact OD2-NH2 3Å; V149-R153 HydrophobicContact CG1-CG 4.29Å; V149-R153 WeakPolarHBondContact O-CB 3.3Å; V149-R153 WeakPolarHBondContact O-CG 3.44Å; V149-R153 PolarHBondContact O-N 3.23Å; R153-F156 WeakPolarHBondContact O-CB 3.41Å; R153-F156 PolarHBondContact O-N 3.26Å; R153-I157 VanDerWaalsContact O-CG1 3.28Å; R153-I157 WeakPolarHBondContact O-CG1 3.26Å; R153-I157 PolarHBondContact O-N 2.92Å
154	R	45.8	Very low	48.8	Very low	136 Å²	136	69.9 Å²	69.9	51%	0.513	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-48.8	174.9	-82.1	-177	-96.5	-168	-5.8	111.9	D150 D151 V152 F156 I157 H158	D150-R154 WeakPolarHBondContact O-CB 3.45Å; D150-R154 WeakPolarHBondContact O-CG 3.43Å; D150-R154 PolarHBondContact O-N 3.44Å; D150-R154 PolarHBondContact O-NE 2.94Å; D151-R154 PolarHBondContact O-N 3.48Å; D151-R154 IonicContact OD1-NH2 3.02Å; V152-R154 VanDerWaalsContact C-N 3.34Å; V152-R154 PolarHBondContact O-N 2.7Å; R154-F156 PolarHBondContact O-N 2.96Å; R154-I157 PolarHBondContact O-N 3.41Å; R154-H158 PolarHBondContact O-CD2 3.14Å; R154-H158 PolarHBondContact O-N 3.33Å
155	A	46.2	Very low	48.7	Very low	31 Å²	31	71.3 Å²	71.3	26%	0.256	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-38	176.6	0	0	0	0	0	111.8	D151 V152 H158 Y159	D151-A155 WeakPolarHBondContact O-CB 3.28Å; D151-A155 PolarHBondContact O-N 2.83Å; V152-A155 PolarHBondContact O-N 3.32Å; A155-H158 PolarHBondContact O-N 2.68Å; A155-Y159 WeakPolarHBondContact O-CB 3.07Å; A155-Y159 PolarHBondContact O-N 3.08Å
156	F	48.4	Very low	48.6	Very low	30 Å²	30	72.4 Å²	72.4	13%	0.132	36%	0.356	C	S	.	.	H	α-helix	trans	-68.2	-43.7	178	-161.3	-91.2	0	0	0	112.7	I11 V14 V152 R153 R154 H158 Y159 E160	I11-F156 HydrophobicContact CG1-CB 4.33Å; I11-F156 HydrophobicContact CG1-CD2 4.22Å; I11-F156 HydrophobicContact CG1-CG 4.12Å; I11-F156 HydrophobicContact CG2-CD2 4.47Å; V14-F156 HydrophobicContact CB-CE1 4.3Å; V14-F156 HydrophobicContact CB-CE2 3.86Å; V14-F156 HydrophobicContact CB-CZ 3.36Å; V14-F156 HydrophobicContact CG1-CE1 4.49Å; V14-F156 HydrophobicContact CG1-CE2 3.95Å; V14-F156 HydrophobicContact CG1-CZ 3.4Å; V14-F156 VanDerWaalsContact CG1-CZ 3.4Å; V14-F156 HydrophobicContact CG2-CE1 3.94Å; V14-F156 HydrophobicContact CG2-CE2 4.4Å; V14-F156 HydrophobicContact CG2-CZ 3.48Å; V14-F156 VanDerWaalsContact CG2-CZ 3.48Å; V152-F156 VanDerWaalsContact O-CB 3.29Å; V152-F156 WeakPolarHBondContact O-CB 3.34Å; V152-F156 PolarHBondContact O-N 3.05Å; R153-F156 WeakPolarHBondContact O-CB 3.41Å; R153-F156 PolarHBondContact O-N 3.26Å; R154-F156 PolarHBondContact O-N 2.96Å; F156-H158 VanDerWaalsContact C-N 3.34Å; F156-H158 PolarHBondContact O-N 3.48Å; F156-Y159 WeakPolarHBondContact O-CB 3.15Å; F156-Y159 PolarHBondContact O-N 3.21Å; F156-E160 HydrophobicContact CD1-CG 4.19Å; F156-E160 HydrophobicContact CE1-CG 3.75Å; F156-E160 HydrophobicContact CZ-CG 4.4Å; F156-E160 PolarHBondContact O-N 2.75Å
157	I	43.9	Very low	47.9	Very low	73 Å²	73	65 Å²	65	37%	0.374	32%	0.324	S	S	.	.	H	α-helix	trans	-58.4	-47.9	173.3	-70.8	165.1	0	0	0	110	R153 R154 Y159 E160 Y161	R153-I157 VanDerWaalsContact O-CG1 3.28Å; R153-I157 WeakPolarHBondContact O-CG1 3.26Å; R153-I157 PolarHBondContact O-N 2.92Å; R154-I157 PolarHBondContact O-N 3.41Å; I157-Y159 VanDerWaalsContact C-N 3.29Å; I157-Y159 PolarHBondContact O-N 3.48Å; I157-E160 PolarHBondContact O-N 3.3Å; I157-Y161 HydrophobicContact CG2-CD2 3.58Å; I157-Y161 HydrophobicContact CG2-CE2 3.51Å; I157-Y161 WeakPolarHBondContact O-CD2 3.29Å; I157-Y161 PolarHBondContact O-N 3.45Å
158	H	41.6	Very low	47.5	Very low	105 Å²	105	71.1 Å²	71.1	49%	0.486	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-37.9	176.9	-73.9	-63.9	0	0	0	112.3	R154 A155 F156 Y161 A162	R154-H158 PolarHBondContact O-CD2 3.14Å; R154-H158 PolarHBondContact O-N 3.33Å; A155-H158 PolarHBondContact O-N 2.68Å; F156-H158 VanDerWaalsContact C-N 3.34Å; F156-H158 PolarHBondContact O-N 3.48Å; H158-Y161 PolarHBondContact O-N 3.37Å; H158-A162 VanDerWaalsContact O-CB 3.3Å; H158-A162 WeakPolarHBondContact O-CB 3.48Å; H158-A162 PolarHBondContact O-N 2.66Å
159	Y	46.5	Very low	46.8	Very low	84 Å²	84	71.3 Å²	71.3	33%	0.329	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-44.6	174.6	176.6	-100.5	0	0	0	112.3	A155 F156 I157 Y161 A162 L163	A155-Y159 WeakPolarHBondContact O-CB 3.07Å; A155-Y159 PolarHBondContact O-N 3.08Å; F156-Y159 WeakPolarHBondContact O-CB 3.15Å; F156-Y159 PolarHBondContact O-N 3.21Å; I157-Y159 VanDerWaalsContact C-N 3.29Å; I157-Y159 PolarHBondContact O-N 3.48Å; Y159-Y161 VanDerWaalsContact C-N 3.35Å; Y159-Y161 PolarHBondContact O-N 2.77Å; Y159-A162 PolarHBondContact O-N 3.34Å; Y159-L163 HydrophobicContact CD1-CD1 3.86Å; Y159-L163 HydrophobicContact CD1-CG 4.35Å; Y159-L163 HydrophobicContact CE1-CD1 3.24Å; Y159-L163 HydrophobicContact CE1-CG 3.95Å; Y159-L163 HydrophobicContact CE2-CD1 4.38Å; Y159-L163 HydrophobicContact CE2-CD2 4.48Å; Y159-L163 HydrophobicContact CE2-CG 4.25Å; Y159-L163 WeakPolarHBondContact O-CB 3.29Å; Y159-L163 WeakPolarHBondContact O-CG 3.5Å; Y159-L163 PolarHBondContact O-N 3.15Å
160	E	43.1	Very low	46.4	Very low	78 Å²	78	70.6 Å²	70.6	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-42.6	174.8	-74.2	-163.4	148.4	0	0	111.6	F156 I157 L163 L164	F156-E160 HydrophobicContact CD1-CG 4.19Å; F156-E160 HydrophobicContact CE1-CG 3.75Å; F156-E160 HydrophobicContact CZ-CG 4.4Å; F156-E160 PolarHBondContact O-N 2.75Å; I157-E160 PolarHBondContact O-N 3.3Å; E160-L163 PolarHBondContact O-N 3.26Å; E160-L164 VanDerWaalsContact O-CG 3.27Å; E160-L164 WeakPolarHBondContact O-CG 3.33Å; E160-L164 PolarHBondContact O-N 2.75Å
161	Y	42.8	Very low	45.8	Very low	143 Å²	143	71.7 Å²	71.7	56%	0.561	34%	0.341	S	S	*	.	H	α-helix	trans	-63.6	-45.3	174.8	-83.1	-70.3	0	0	0	112.3	I157 H158 Y159 L163 L164 D165	I157-Y161 HydrophobicContact CG2-CD2 3.58Å; I157-Y161 HydrophobicContact CG2-CE2 3.51Å; I157-Y161 WeakPolarHBondContact O-CD2 3.29Å; I157-Y161 PolarHBondContact O-N 3.45Å; H158-Y161 PolarHBondContact O-N 3.37Å; Y159-Y161 VanDerWaalsContact C-N 3.35Å; Y159-Y161 PolarHBondContact O-N 2.77Å; Y161-L163 VanDerWaalsContact C-N 3.29Å; Y161-L163 PolarHBondContact O-N 3.35Å; Y161-L164 WeakPolarHBondContact O-CB 3.37Å; Y161-L164 PolarHBondContact O-N 2.8Å; Y161-L164 VanDerWaalsContact O-N 3.08Å; Y161-D165 PolarHBondContact O-N 3.49Å
162	A	42.8	Very low	45.9	Very low	52 Å²	52	78 Å²	78	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-38.9	176.8	0	0	0	0	0	111.7	H158 Y159 D165 V166	H158-A162 VanDerWaalsContact O-CB 3.3Å; H158-A162 WeakPolarHBondContact O-CB 3.48Å; H158-A162 PolarHBondContact O-N 2.66Å; Y159-A162 PolarHBondContact O-N 3.34Å; A162-D165 PolarHBondContact O-N 3.24Å; A162-V166 WeakPolarHBondContact O-CG2 3.38Å; A162-V166 PolarHBondContact O-N 3.45Å; A162-V166 VanDerWaalsContact O-N 3.16Å
163	L	45.1	Very low	45.6	Very low	45 Å²	45	80.6 Å²	80.6	24%	0.236	37%	0.373	C	S	.	.	H	α-helix	trans	-62.3	-45	172	-78.3	179.9	0	0	0	111.5	Y159 E160 Y161 D165 V166 E167	Y159-L163 HydrophobicContact CD1-CD1 3.86Å; Y159-L163 HydrophobicContact CD1-CG 4.35Å; Y159-L163 HydrophobicContact CE1-CD1 3.24Å; Y159-L163 HydrophobicContact CE1-CG 3.95Å; Y159-L163 HydrophobicContact CE2-CD1 4.38Å; Y159-L163 HydrophobicContact CE2-CD2 4.48Å; Y159-L163 HydrophobicContact CE2-CG 4.25Å; Y159-L163 WeakPolarHBondContact O-CB 3.29Å; Y159-L163 WeakPolarHBondContact O-CG 3.5Å; Y159-L163 PolarHBondContact O-N 3.15Å; E160-L163 PolarHBondContact O-N 3.26Å; Y161-L163 VanDerWaalsContact C-N 3.29Å; Y161-L163 PolarHBondContact O-N 3.35Å; L163-D165 VanDerWaalsContact C-N 3.32Å; L163-D165 PolarHBondContact O-N 3.33Å; L163-V166 PolarHBondContact O-N 2.91Å; L163-E167 WeakPolarHBondContact O-CB 3.26Å; L163-E167 PolarHBondContact O-N 3.25Å
164	L	45.2	Very low	45.5	Very low	69 Å²	69	78.1 Å²	78.1	36%	0.361	37%	0.366	S	S	.	.	H	α-helix	trans	-63.5	-37.6	178	-72.1	171.3	0	0	0	112.3	E160 Y161 V166 E167 R168	E160-L164 VanDerWaalsContact O-CG 3.27Å; E160-L164 WeakPolarHBondContact O-CG 3.33Å; E160-L164 PolarHBondContact O-N 2.75Å; Y161-L164 WeakPolarHBondContact O-CB 3.37Å; Y161-L164 PolarHBondContact O-N 2.8Å; Y161-L164 VanDerWaalsContact O-N 3.08Å; L164-V166 PolarHBondContact O-N 2.93Å; L164-E167 PolarHBondContact O-N 2.92Å; L164-R168 WeakPolarHBondContact O-CB 3.37Å; L164-R168 VanDerWaalsContact O-CG 3.27Å; L164-R168 WeakPolarHBondContact O-CG 3.35Å; L164-R168 PolarHBondContact O-N 2.82Å
165	D	44.9	Very low	45.8	Very low	101 Å²	101	79 Å²	79	54%	0.54	38%	0.376	S	S	.	.	H	α-helix	trans	-67.8	-25.8	177.1	-76.3	-17.9	0	0	0	112.5	Y161 A162 L163 P169	Y161-D165 PolarHBondContact O-N 3.49Å; A162-D165 PolarHBondContact O-N 3.24Å; L163-D165 VanDerWaalsContact C-N 3.32Å; L163-D165 PolarHBondContact O-N 3.33Å; D165-P169 WeakPolarHBondContact O-CD 3.49Å; D165-P169 WeakPolarHBondContact O-CG 3.48Å
166	V	45.6	Very low	46	Very low	59 Å²	59	84.8 Å²	84.8	36%	0.358	40%	0.401	S	S	.	.	H	α-helix	trans	-87.1	-37.7	172.7	176.4	0	0	0	0	111.4	V98 A100 A162 L163 L164 P169 L170	V98-V166 HydrophobicContact CG1-CG1 4.08Å; A100-V166 HydrophobicContact CB-CG1 3.31Å; A162-V166 WeakPolarHBondContact O-CG2 3.38Å; A162-V166 PolarHBondContact O-N 3.45Å; A162-V166 VanDerWaalsContact O-N 3.16Å; L163-V166 PolarHBondContact O-N 2.91Å; L164-V166 PolarHBondContact O-N 2.93Å; V166-P169 WeakPolarHBondContact O-CD 3.46Å; V166-L170 HydrophobicContact CG1-CD1 3.87Å; V166-L170 WeakPolarHBondContact O-CB 3.43Å; V166-L170 WeakPolarHBondContact O-CD1 3.41Å; V166-L170 PolarHBondContact O-N 3.12Å
167	E	44.6	Very low	46.5	Very low	34 Å²	34	87.2 Å²	87.2	16%	0.159	42%	0.419	C	S	.	.	H	α-helix	trans	-68	-40.2	-177.7	-167.2	178.5	162.5	0	0	112.2	L163 L164 L170 R171 I183	L163-E167 WeakPolarHBondContact O-CB 3.26Å; L163-E167 PolarHBondContact O-N 3.25Å; L164-E167 PolarHBondContact O-N 2.92Å; E167-L170 PolarHBondContact O-N 3.04Å; E167-R171 HydrophobicContact CG-CG 4.42Å; E167-R171 WeakPolarHBondContact O-CG 3.47Å; E167-R171 PolarHBondContact O-N 3.37Å; E167-R171 IonicContact OE1-CZ 3.32Å; E167-R171 IonicContact OE1-NE 2.61Å; E167-R171 PolarHBondContact OE1-NE 3.41Å; E167-R171 IonicContact OE1-NH2 3.17Å; E167-R171 PolarHBondContact OE1-NH2 3.32Å; E167-I183 HydrophobicContact CG-CD1 4.19Å; E167-I183 HydrophobicContact CG-CG2 3.54Å; E167-I183 VanDerWaalsContact OE1-CG2 3.23Å; E167-I183 WeakPolarHBondContact OE1-CG2 3.46Å
168	R	47.9	Very low	46.7	Very low	149 Å²	149	86.8 Å²	86.8	56%	0.562	43%	0.433	S	S	*	.	H	α-helix	trans	-63	-50.6	-178.7	-76.7	172.3	179.9	-176.8	2.3	112.9	L164 L170 R171 R172	L164-R168 WeakPolarHBondContact O-CB 3.37Å; L164-R168 VanDerWaalsContact O-CG 3.27Å; L164-R168 WeakPolarHBondContact O-CG 3.35Å; L164-R168 PolarHBondContact O-N 2.82Å; R168-L170 VanDerWaalsContact C-N 3.3Å; R168-L170 PolarHBondContact O-N 3.21Å; R168-R171 PolarHBondContact O-N 3.15Å; R168-R172 WeakPolarHBondContact O-CG 3.35Å; R168-R172 PolarHBondContact O-N 3.21Å; R168-R172 VanDerWaalsContact O-N 3.09Å
169	P	46.9	Very low	46.8	Very low	73 Å²	73	86.5 Å²	86.5	47%	0.474	44%	0.438	S	S	.	.	H	α-helix	trans	-59.6	-40.5	173.1	-23.9	32.8	0	0	0	112.5	D165 V166 R172 Q173	D165-P169 WeakPolarHBondContact O-CD 3.49Å; D165-P169 WeakPolarHBondContact O-CG 3.48Å; V166-P169 WeakPolarHBondContact O-CD 3.46Å; P169-R172 PolarHBondContact O-N 3.21Å; P169-Q173 WeakPolarHBondContact O-CB 3.47Å; P169-Q173 PolarHBondContact O-N 2.89Å
170	L	46.7	Very low	46.6	Very low	13 Å²	13	85.7 Å²	85.7	7%	0.068	44%	0.437	C	S	.	.	H	α-helix	trans	-62.2	-45	178.6	-88.3	165.6	0	0	0	112.4	V98 A100 V166 E167 R168 Q173 C174 I183	V98-L170 WeakPolarHBondContact O-CD1 3.02Å; V98-L170 WeakPolarHBondContact O-CD2 3.48Å; A100-L170 HydrophobicContact CB-CD1 3.41Å; A100-L170 VanDerWaalsContact CB-CD1 3.41Å; V166-L170 HydrophobicContact CG1-CD1 3.87Å; V166-L170 WeakPolarHBondContact O-CB 3.43Å; V166-L170 WeakPolarHBondContact O-CD1 3.41Å; V166-L170 PolarHBondContact O-N 3.12Å; E167-L170 PolarHBondContact O-N 3.04Å; R168-L170 VanDerWaalsContact C-N 3.3Å; R168-L170 PolarHBondContact O-N 3.21Å; L170-Q173 PolarHBondContact O-N 3.18Å; L170-C174 PolarHBondContact O-N 3.35Å; L170-C174 PolarHBondContact O-SG 3.44Å; L170-I183 HydrophobicContact CD1-CD1 4.04Å
171	R	45.6	Very low	46.7	Very low	113 Å²	113	83.1 Å²	83.1	43%	0.426	43%	0.428	S	S	.	.	H	α-helix	trans	-59.6	-47.4	174.7	-75.8	176.8	178.8	-107.2	0.1	111.3	E167 R168 Q173 C174 E175	E167-R171 HydrophobicContact CG-CG 4.42Å; E167-R171 WeakPolarHBondContact O-CG 3.47Å; E167-R171 PolarHBondContact O-N 3.37Å; E167-R171 IonicContact OE1-CZ 3.32Å; E167-R171 IonicContact OE1-NE 2.61Å; E167-R171 PolarHBondContact OE1-NE 3.41Å; E167-R171 IonicContact OE1-NH2 3.17Å; E167-R171 PolarHBondContact OE1-NH2 3.32Å; R168-R171 PolarHBondContact O-N 3.15Å; R171-Q173 VanDerWaalsContact C-N 3.32Å; R171-Q173 PolarHBondContact O-N 2.88Å; R171-C174 WeakPolarHBondContact O-CB 3.47Å; R171-C174 PolarHBondContact O-N 2.92Å; R171-E175 WeakPolarHBondContact O-CG 3.35Å; R171-E175 PolarHBondContact O-N 3.28Å
172	R	51.2	Low	46.6	Very low	173 Å²	173	79.8 Å²	79.8	65%	0.653	42%	0.419	S	S	*	.	H	α-helix	trans	-58.9	-41.5	175.2	-70.8	177.5	-178.4	-179.3	0.2	112.4	R168 P169 E175 L176	R168-R172 WeakPolarHBondContact O-CG 3.35Å; R168-R172 PolarHBondContact O-N 3.21Å; R168-R172 VanDerWaalsContact O-N 3.09Å; P169-R172 PolarHBondContact O-N 3.21Å; R172-E175 PolarHBondContact O-N 3.35Å; R172-L176 VanDerWaalsContact O-CG 3.31Å; R172-L176 WeakPolarHBondContact O-CG 3.28Å; R172-L176 PolarHBondContact O-N 3.13Å
173	Q	45.3	Very low	46.5	Very low	67 Å²	67	77.9 Å²	77.9	31%	0.313	40%	0.402	S	S	.	.	H	α-helix	trans	-68	-37.5	178.5	-169.4	173	18.5	0	0	111.8	V96 P169 L170 R171 L176 T177	V96-Q173 PolarHBondContact O-NE2 3.43Å; P169-Q173 WeakPolarHBondContact O-CB 3.47Å; P169-Q173 PolarHBondContact O-N 2.89Å; L170-Q173 PolarHBondContact O-N 3.18Å; R171-Q173 VanDerWaalsContact C-N 3.32Å; R171-Q173 PolarHBondContact O-N 2.88Å; Q173-L176 PolarHBondContact O-N 2.98Å; Q173-T177 HydrophobicContact CG-CG2 4.38Å; Q173-T177 WeakPolarHBondContact O-CB 3.32Å; Q173-T177 WeakPolarHBondContact O-CG2 3.48Å; Q173-T177 PolarHBondContact O-N 3.4Å; Q173-T177 PolarHBondContact O-OG1 2.85Å
174	C	45.6	Very low	46.1	Very low	13 Å²	13	77.2 Å²	77.2	9%	0.088	40%	0.401	C	S	.	.	H	α-helix	trans	-65	-41	174.1	-64.7	0	0	0	0	111.5	L170 R171 G178 V179 C181 C184	L170-C174 PolarHBondContact O-N 3.35Å; L170-C174 PolarHBondContact O-SG 3.44Å; R171-C174 WeakPolarHBondContact O-CB 3.47Å; R171-C174 PolarHBondContact O-N 2.92Å; C174-G178 WeakPolarHBondContact O-CA 3.02Å; C174-G178 PolarHBondContact O-N 3.19Å; C174-V179 WeakPolarHBondContact CA-O 3.34Å; C174-V179 WeakPolarHBondContact CB-O 3.42Å; C174-V179 PolarHBondContact O-N 3.4Å; C174-V179 PolarHBondContact SG-O 3.33Å; C174-C181 WeakPolarHBondContact SG-CB 3.48Å; C174-C181 PolarHBondContact SG-N 3.38Å; C174-C181 PolarHBondContact SG-SG 3.22Å; C174-C184 HydrophobicContact CB-CB 4.22Å; C174-C184 VanDerWaalsContact CB-SG 3.59Å
175	E	52.4	Low	45.7	Very low	153 Å²	153	80.4 Å²	80.4	72%	0.715	41%	0.408	S	S	*	.	H	α-helix	trans	-61.9	-43.2	174.2	-72	166.8	-172.8	0	0	111.8	R171 R172	R171-E175 WeakPolarHBondContact O-CG 3.35Å; R171-E175 PolarHBondContact O-N 3.28Å; R172-E175 PolarHBondContact O-N 3.35Å
176	L	50.9	Low	45.3	Very low	153 Å²	153	79.1 Å²	79.1	80%	0.801	41%	0.407	S	S	*	.	H	α-helix	trans	-70.7	-36.5	179.6	-72.3	170.7	0	0	0	113.7	R172 Q173	R172-L176 VanDerWaalsContact O-CG 3.31Å; R172-L176 WeakPolarHBondContact O-CG 3.28Å; R172-L176 PolarHBondContact O-N 3.13Å; Q173-L176 PolarHBondContact O-N 2.98Å
177	T	57	Low	44.9	Very low	82 Å²	82	81.7 Å²	81.7	50%	0.503	42%	0.419	S	S	.	.	H	α-helix	trans	-91.7	-14.2	-176.6	56.9	0	0	0	0	113.3	Q173 V179	Q173-T177 HydrophobicContact CG-CG2 4.38Å; Q173-T177 WeakPolarHBondContact O-CB 3.32Å; Q173-T177 WeakPolarHBondContact O-CG2 3.48Å; Q173-T177 PolarHBondContact O-N 3.4Å; Q173-T177 PolarHBondContact O-OG1 2.85Å; T177-V179 PolarHBondContact O-N 3.46Å; T177-V179 PolarHBondContact OG1-N 2.9Å
178	G	48.1	Very low	44.2	Very low	64 Å²	64	88.9 Å²	88.9	66%	0.66	45%	0.452	S	S	*	.	S	Bend	trans	68.3	1.4	-168.1	0	0	0	0	0	113.9	C174 Q180	C174-G178 WeakPolarHBondContact O-CA 3.02Å; C174-G178 PolarHBondContact O-N 3.19Å; G178-Q180 PolarHBondContact O-N 2.91Å
179	V	44.8	Very low	43.4	Very low	98 Å²	98	87.2 Å²	87.2	59%	0.594	45%	0.451	S	S	*	.			trans	-91.8	103.8	-179.5	-178.4	0	0	0	0	108.6	C174 T177 C181	C174-V179 WeakPolarHBondContact CA-O 3.34Å; C174-V179 WeakPolarHBondContact CB-O 3.42Å; C174-V179 PolarHBondContact O-N 3.4Å; C174-V179 PolarHBondContact SG-O 3.33Å; T177-V179 PolarHBondContact O-N 3.46Å; T177-V179 PolarHBondContact OG1-N 2.9Å; V179-C181 PolarHBondContact O-N 3.34Å
180	Q	42.6	Very low	42.6	Very low	67 Å²	67	90 Å²	90	31%	0.313	46%	0.458	S	S	.	.			trans	-71.4	115.6	176.1	-63.7	-178.9	10.3	0	0	111.2	G178 C184 R185 E189	G178-Q180 PolarHBondContact O-N 2.91Å; Q180-C184 HydrophobicContact CB-CB 4.27Å; Q180-R185 HydrophobicContact CB-CG 3.71Å; Q180-R185 PolarHBondContact O-NE 2.68Å; Q180-E189 PolarHBondContact NE2-OE2 2.88Å; Q180-E189 PolarHBondContact OE1-OE2 2.95Å
181	C	44.8	Very low	41.9	Very low	25 Å²	25	94.6 Å²	94.6	17%	0.169	49%	0.488	C	S	.	.			trans	-72.2	167.4	168	77.9	0	0	0	0	110.7	C174 V179 I183 C184 R185	C174-C181 WeakPolarHBondContact SG-CB 3.48Å; C174-C181 PolarHBondContact SG-N 3.38Å; C174-C181 PolarHBondContact SG-SG 3.22Å; V179-C181 PolarHBondContact O-N 3.34Å; C181-I183 PolarHBondContact O-N 2.97Å; C181-I183 VanDerWaalsContact O-N 3.09Å; C181-C184 PolarHBondContact O-N 3.5Å; C181-C184 PolarHBondContact SG-SG 2.74Å; C181-R185 PolarHBondContact O-N 3.36Å
182	N	41.1	Very low	41.2	Very low	72 Å²	72	95 Å²	95	39%	0.385	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-31.8	-178.4	-74.5	-33.2	0	0	0	113.5
183	I	40.7	Very low	40.2	Very low	13 Å²	13	94.3 Å²	94.3	7%	0.067	52%	0.515	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-36.4	175.5	-51.6	180	0	0	0	111.4	A100 N102 E167 L170 C181	A100-I183 WeakPolarHBondContact O-CD1 3.2Å; N102-I183 HydrophobicContact CB-CD1 4.43Å; N102-I183 HydrophobicContact CB-CG1 4.11Å; E167-I183 HydrophobicContact CG-CD1 4.19Å; E167-I183 HydrophobicContact CG-CG2 3.54Å; E167-I183 VanDerWaalsContact OE1-CG2 3.23Å; E167-I183 WeakPolarHBondContact OE1-CG2 3.46Å; L170-I183 HydrophobicContact CD1-CD1 4.04Å; C181-I183 PolarHBondContact O-N 2.97Å; C181-I183 VanDerWaalsContact O-N 3.09Å
184	C	36.8	Very low	39.5	Very low	31 Å²	31	103 Å²	103	21%	0.209	54%	0.544	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-22.6	-174.8	-59.7	0	0	0	0	113	C174 Q180 C181 S186	C174-C184 HydrophobicContact CB-CB 4.22Å; C174-C184 VanDerWaalsContact CB-SG 3.59Å; Q180-C184 HydrophobicContact CB-CB 4.27Å; C181-C184 PolarHBondContact O-N 3.5Å; C181-C184 PolarHBondContact SG-SG 2.74Å; C184-S186 PolarHBondContact O-N 3.02Å; C184-S186 VanDerWaalsContact O-N 3.08Å
185	R	36.8	Very low	38.7	Very low	136 Å²	136	106.8 Å²	106.8	51%	0.513	57%	0.571	S	S	.	*			trans	-66.5	108.1	179.4	-74.3	-177.6	-177.4	-157.4	-3.9	110.1	Q180 C181	Q180-R185 HydrophobicContact CB-CG 3.71Å; Q180-R185 PolarHBondContact O-NE 2.68Å; C181-R185 PolarHBondContact O-N 3.36Å
186	S	36	Very low	37.8	Very low	73 Å²	73	109.6 Å²	109.6	51%	0.51	58%	0.581	S	S	.	*			trans	-64.4	143	165.7	22.8	0	0	0	0	110.5	C184 E188 E189	C184-S186 PolarHBondContact O-N 3.02Å; C184-S186 VanDerWaalsContact O-N 3.08Å; S186-E188 PolarHBondContact O-N 2.78Å; S186-E189 PolarHBondContact O-N 3.48Å
187	D	37.9	Very low	36.6	Very low	114 Å²	114	105.6 Å²	105.6	61%	0.61	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	-18.9	-175	-69.5	-59	0	0	0	114.6	R112	R112-D187 IonicContact CZ-OD2 2.74Å; R112-D187 IonicContact NH1-OD1 3.6Å; R112-D187 PolarHBondContact NH1-OD1 3.37Å; R112-D187 VanDerWaalsContact NH1-OD1 3.12Å; R112-D187 IonicContact NH1-OD2 2.82Å; R112-D187 PolarHBondContact NH1-OD2 3.38Å; R112-D187 IonicContact NH2-OD2 2.68Å
188	E	29.9	Very low	35.2	Very low	184 Å²	184	111 Å²	111	86%	0.86	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-17.8	-176.2	-62.4	-80.3	129.4	0	0	114.2	S186	S186-E188 PolarHBondContact O-N 2.78Å
189	E	29.4	Very low	34.3	Very low	114 Å²	114	116.1 Å²	116.1	53%	0.533	61%	0.605	S	S	.	*			trans	-103.8	38	-176.9	-76	-171.3	143.7	0	0	113.5	Q180 S186 P191	Q180-E189 PolarHBondContact NE2-OE2 2.88Å; Q180-E189 PolarHBondContact OE1-OE2 2.95Å; S186-E189 PolarHBondContact O-N 3.48Å; E189-P191 VanDerWaalsContact O-CD 3.25Å; E189-P191 WeakPolarHBondContact O-CD 3.38Å
190	E	30.1	Very low	33.4	Very low	133 Å²	133	117 Å²	117	62%	0.621	61%	0.61	S	S	*	*			trans	-84.6	107.9	161.9	-108.4	-175.3	-176.8	0	0	109
191	P	32.6	Very low	32.8	Very low	109 Å²	109	116 Å²	116	71%	0.708	61%	0.61	S	S	*	*			trans	-64.4	138.5	178.7	23.9	-30.7	0	0	0	110	E189 N193	E189-P191 VanDerWaalsContact O-CD 3.25Å; E189-P191 WeakPolarHBondContact O-CD 3.38Å; P191-N193 PolarHBondContact O-N 3.18Å; P191-N193 VanDerWaalsContact O-N 3.13Å
192	P	32.3	Very low	32.2	Very low	122 Å²	122	121.2 Å²	121.2	79%	0.792	64%	0.636	S	S	*	*			trans	-62.5	119.7	-169.5	22.9	-32	0	0	0	110.6	R194	P192-R194 PolarHBondContact O-N 3.5Å
193	N	29.5	Very low	31.8	Very low	158 Å²	158	121.9 Å²	121.9	85%	0.845	64%	0.643	S	S	*	*			trans	5.8	85.9	158	-99	-35.2	0	0	0	114.9	P191 S195	P191-N193 PolarHBondContact O-N 3.18Å; P191-N193 VanDerWaalsContact O-N 3.13Å; N193-S195 PolarHBondContact O-N 3Å
194	R	30.1	Very low	31.3	Very low	248 Å²	248	126.7 Å²	126.7	94%	0.936	67%	0.668	S	S	*	*			trans	-71.3	77.9	154.8	-82.2	-171.1	177.4	-178.3	0.6	108.3	P192	P192-R194 PolarHBondContact O-N 3.5Å
195	S	29.1	Very low	31	Very low	93 Å²	93	131.9 Å²	131.9	65%	0.65	69%	0.69	S	S	*	*			trans	-56.4	135.8	160	52	0	0	0	0	109	N193	N193-S195 PolarHBondContact O-N 3Å
196	K	32.3	Very low	30.7	Very low	212 Å²	212	131.6 Å²	131.6	92%	0.922	69%	0.694	S	S	*	*			trans	66.6	75.1	164.6	-56.5	179.2	-179.6	178.8	0	116.4
197	G	27.2	Very low	30.3	Very low	69 Å²	69	132 Å²	132	71%	0.711	70%	0.696	S	S	*	*	S	Bend	trans	-151.9	97.8	158.9	0	0	0	0	0	109.9
198	K	26.7	Very low	29.9	Very low	195 Å²	195	135.5 Å²	135.5	85%	0.848	70%	0.701	S	S	*	*			trans	28.8	101.4	168.9	-76.9	175.2	175.1	175.4	0	115.1	V200	K198-V200 HydrophobicContact CB-CG2 4.28Å; K198-V200 PolarHBondContact O-N 3.04Å
199	L	28.9	Very low	30.1	Very low	172 Å²	172	130.6 Å²	130.6	90%	0.901	68%	0.683	S	S	*	*			trans	-57.7	79.7	157	-157.2	98.7	0	0	0	108.1	S201	L199-S201 PolarHBondContact O-N 3.48Å
200	V	26.8	Very low	30.4	Very low	118 Å²	118	129.3 Å²	129.3	72%	0.715	68%	0.683	S	S	*	*			trans	-72.8	93	161.8	-176.3	0	0	0	0	103.2	K198 L202	K198-V200 HydrophobicContact CB-CG2 4.28Å; K198-V200 PolarHBondContact O-N 3.04Å; V200-L202 PolarHBondContact O-N 2.8Å
201	S	30.2	Very low	30.5	Very low	45 Å²	45	129 Å²	129	32%	0.315	68%	0.682	S	S	.	*			trans	-60.2	118	178.7	59.7	0	0	0	0	107.5	L199 T203 D204	L199-S201 PolarHBondContact O-N 3.48Å; S201-T203 WeakPolarHBondContact CB-OG1 3.37Å; S201-T203 PolarHBondContact O-N 2.71Å; S201-T203 PolarHBondContact OG-OG1 3.38Å; S201-D204 PolarHBondContact O-N 2.94Å
202	L	30.9	Very low	30.5	Very low	135 Å²	135	129.2 Å²	129.2	71%	0.707	68%	0.677	S	S	*	*	H	α-helix	trans	-55.2	-6.4	173.3	-101.8	120.4	0	0	0	113.3	V200 D204 Q206	V200-L202 PolarHBondContact O-N 2.8Å; L202-D204 VanDerWaalsContact C-N 3.32Å; L202-Q206 PolarHBondContact O-N 3.39Å
203	T	33.5	Very low	30.5	Very low	86 Å²	86	126 Å²	126	53%	0.528	66%	0.658	S	S	.	*	H	α-helix	trans	-62.9	-32.6	168.1	47.1	0	0	0	0	113.1	S201 C207	S201-T203 WeakPolarHBondContact CB-OG1 3.37Å; S201-T203 PolarHBondContact O-N 2.71Å; S201-T203 PolarHBondContact OG-OG1 3.38Å; T203-C207 PolarHBondContact O-N 3.3Å; T203-C207 VanDerWaalsContact O-N 3.11Å; T203-C207 PolarHBondContact O-SG 3.4Å
204	D	30.7	Very low	30.6	Very low	113 Å²	113	128.5 Å²	128.5	60%	0.604	66%	0.655	S	S	*	*	H	α-helix	trans	-76.5	-32.3	-178.5	-74.2	-10.8	0	0	0	112.2	S201 L202 R208	S201-D204 PolarHBondContact O-N 2.94Å; L202-D204 VanDerWaalsContact C-N 3.32Å; D204-R208 PolarHBondContact O-N 3.22Å
205	H	29.7	Very low	30.8	Very low	141 Å²	141	123.4 Å²	123.4	65%	0.653	64%	0.64	S	S	*	*	H	α-helix	trans	-79.7	-25.2	179.3	-137.3	-50.8	0	0	0	113
206	Q	30.9	Very low	30.8	Very low	129 Å²	129	126.5 Å²	126.5	60%	0.603	64%	0.642	S	S	*	*	H	α-helix	trans	-85.8	-24.3	173.9	-83.6	-173.6	-18	0	0	113.9	L202 T209 T210	L202-Q206 PolarHBondContact O-N 3.39Å; Q206-T209 PolarHBondContact O-OG1 2.96Å; Q206-T210 PolarHBondContact O-OG1 2.89Å
207	C	28	Very low	30.7	Very low	82 Å²	82	125.2 Å²	125.2	55%	0.554	63%	0.633	S	S	*	*	H	α-helix	trans	-74.2	-26.9	172	-72.7	0	0	0	0	112.9	T203 T210	T203-C207 PolarHBondContact O-N 3.3Å; T203-C207 VanDerWaalsContact O-N 3.11Å; T203-C207 PolarHBondContact O-SG 3.4Å; C207-T210 PolarHBondContact O-OG1 3.04Å; C207-T210 VanDerWaalsContact O-OG1 3.1Å
208	R	29.2	Very low	31	Very low	188 Å²	188	125.5 Å²	125.5	71%	0.709	62%	0.623	S	S	*	*	H	α-helix	trans	-75.2	-28.9	174.2	-79.1	-173.2	179.4	-174.2	0.9	113.8	D204 N212	D204-R208 PolarHBondContact O-N 3.22Å; R208-N212 PolarHBondContact O-N 3.38Å
209	T	33.3	Very low	31.6	Very low	81 Å²	81	124.9 Å²	124.9	50%	0.497	62%	0.621	S	S	.	*	H	α-helix	trans	-76.4	-29.8	179.3	46.6	0	0	0	0	112.8	Q206 S213	Q206-T209 PolarHBondContact O-OG1 2.96Å; T209-S213 PolarHBondContact O-N 2.94Å; T209-S213 VanDerWaalsContact O-N 3.08Å; T209-S213 PolarHBondContact O-OG 3.46Å
210	T	35.9	Very low	32.2	Very low	86 Å²	86	121.8 Å²	121.8	53%	0.528	61%	0.609	S	S	.	*	H	α-helix	trans	-71.5	-31.8	173	47.8	0	0	0	0	112.6	Q206 C207 S213 R214	Q206-T210 PolarHBondContact O-OG1 2.89Å; C207-T210 PolarHBondContact O-OG1 3.04Å; C207-T210 VanDerWaalsContact O-OG1 3.1Å; T210-S213 WeakPolarHBondContact CA-OG 3.45Å; T210-S213 PolarHBondContact O-OG 3.49Å; T210-R214 PolarHBondContact O-N 2.89Å
211	E	32.7	Very low	32.7	Very low	127 Å²	127	121.6 Å²	121.6	59%	0.593	61%	0.608	S	S	*	*	H	α-helix	trans	-72.6	-36.8	176.5	-146.3	172.3	-161.2	0	0	112.2	R214 K215	E211-R214 PolarHBondContact O-N 3.08Å; E211-K215 PolarHBondContact O-N 2.91Å; E211-K215 VanDerWaalsContact O-N 3.09Å
212	N	32.7	Very low	32.9	Very low	113 Å²	113	129.9 Å²	129.9	60%	0.604	65%	0.649	S	S	*	*	H	α-helix	trans	-69.7	-36.5	173.4	-80.7	-11.7	0	0	0	112.7	R208 K215 F216	R208-N212 PolarHBondContact O-N 3.38Å; N212-K215 PolarHBondContact O-N 2.85Å; N212-F216 PolarHBondContact O-N 2.67Å
213	S	32.6	Very low	33	Very low	56 Å²	56	129.6 Å²	129.6	39%	0.392	65%	0.646	S	S	.	*	H	α-helix	trans	-70.3	-34.4	175.9	35.1	0	0	0	0	112	T209 T210 F216 Y217	T209-S213 PolarHBondContact O-N 2.94Å; T209-S213 VanDerWaalsContact O-N 3.08Å; T209-S213 PolarHBondContact O-OG 3.46Å; T210-S213 WeakPolarHBondContact CA-OG 3.45Å; T210-S213 PolarHBondContact O-OG 3.49Å; S213-F216 PolarHBondContact O-N 2.89Å; S213-Y217 VanDerWaalsContact O-CD2 3.31Å; S213-Y217 WeakPolarHBondContact O-CD2 3.36Å; S213-Y217 PolarHBondContact O-N 3.38Å
214	R	31.1	Very low	33	Very low	210 Å²	210	131.9 Å²	131.9	79%	0.792	65%	0.652	S	S	*	*	H	α-helix	trans	-66.1	-38.1	170.9	-90.4	-173.8	178.7	172.7	0	113.5	T210 E211 F216 Y217 S218	T210-R214 PolarHBondContact O-N 2.89Å; E211-R214 PolarHBondContact O-N 3.08Å; R214-F216 VanDerWaalsContact C-N 3.29Å; R214-F216 PolarHBondContact O-N 3.48Å; R214-Y217 PolarHBondContact O-N 2.75Å; R214-S218 PolarHBondContact O-N 3.34Å
215	K	34	Very low	33.1	Very low	140 Å²	140	132.9 Å²	132.9	61%	0.609	66%	0.655	S	S	*	*	H	α-helix	trans	-65.7	-35	173.5	-78.9	-177.7	178.8	174.3	0	112	E211 N212 S218	E211-K215 PolarHBondContact O-N 2.91Å; E211-K215 VanDerWaalsContact O-N 3.09Å; N212-K215 PolarHBondContact O-N 2.85Å; K215-S218 PolarHBondContact O-N 3.05Å; K215-S218 PolarHBondContact O-OG 2.7Å
216	F	30.5	Very low	33.4	Very low	159 Å²	159	132.5 Å²	132.5	70%	0.697	66%	0.655	S	S	*	*	H	α-helix	trans	-65.5	-40.6	178.5	-137.7	-91.2	0	0	0	112.4	N212 S213 R214 K219	N212-F216 PolarHBondContact O-N 2.67Å; S213-F216 PolarHBondContact O-N 2.89Å; R214-F216 VanDerWaalsContact C-N 3.29Å; R214-F216 PolarHBondContact O-N 3.48Å; F216-K219 PolarHBondContact O-N 2.75Å
217	Y	29.4	Very low	33.5	Very low	185 Å²	185	132.7 Å²	132.7	73%	0.725	66%	0.658	S	S	*	*	H	α-helix	trans	-76.8	-21.9	179.4	-78.6	-76.1	0	0	0	114.8	S213 R214 K219 T221	S213-Y217 VanDerWaalsContact O-CD2 3.31Å; S213-Y217 WeakPolarHBondContact O-CD2 3.36Å; S213-Y217 PolarHBondContact O-N 3.38Å; R214-Y217 PolarHBondContact O-N 2.75Å; Y217-K219 VanDerWaalsContact C-N 3.33Å; Y217-T221 PolarHBondContact O-OG1 3.17Å
218	S	34.1	Very low	33.9	Very low	74 Å²	74	136.1 Å²	136.1	52%	0.517	67%	0.665	S	S	.	*	H	α-helix	trans	-76	-18.9	174.5	74.3	0	0	0	0	114.1	R214 K215	R214-S218 PolarHBondContact O-N 3.34Å; K215-S218 PolarHBondContact O-N 3.05Å; K215-S218 PolarHBondContact O-OG 2.7Å
219	K	37.6	Very low	34.2	Very low	182 Å²	182	132.4 Å²	132.4	79%	0.791	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-4.4	177.9	-92	-171.2	175.2	-174	0	114.4	F216 Y217	F216-K219 PolarHBondContact O-N 2.75Å; Y217-K219 VanDerWaalsContact C-N 3.33Å
220	V	42.1	Very low	34.3	Very low	107 Å²	107	136.3 Å²	136.3	65%	0.648	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	7.4	-179.6	-167.7	0	0	0	0	111.6
221	T	38.6	Very low	34.1	Very low	115 Å²	115	140.5 Å²	140.5	71%	0.706	69%	0.687	S	S	*	*			trans	-125.3	15.6	-179.6	40.9	0	0	0	0	115.4	Y217	Y217-T221 PolarHBondContact O-OG1 3.17Å
222	N	34.4	Very low	34.3	Very low	218 Å²	218	141.7 Å²	141.7	100%	1.166	70%	0.695	S	S	*	*			trans	-125.1	0	160.2	-78.9	-26.4	0	0	0	108.9

Retrieved 222 of 222 residues in 36.1 ms (Link to these results)

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