A0A3Q0KTU1_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTU1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 189 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	51.7	Low	68.6	Low	239 Å²	239	144 Å²	144	100%	1.177	78%	0.778	S	S	*	*				0	133.2	0	-67	-167.7	82	0	0	108.6	S3	M1-S3 PolarHBondContact O-N 3.11Å
2	S	69.8	Low	69.6	Low	114 Å²	114	149 Å²	149	80%	0.797	78%	0.778	S	S	*	*			trans	-64.9	122.5	177.3	170.8	0	0	0	0	110.3	Q4	S2-Q4 PolarHBondContact OG-N 3.49Å
3	S	74.1	Confident	70.7	Confident	119 Å²	119	144.9 Å²	144.9	83%	0.832	77%	0.766	S	S	*	*			trans	-101.9	11.1	175.5	48.6	0	0	0	0	112.3	M1 K5	M1-S3 PolarHBondContact O-N 3.11Å; S3-K5 PolarHBondContact O-N 3.36Å; S3-K5 VanDerWaalsContact O-N 3.11Å
4	Q	69.8	Low	71.9	Confident	162 Å²	162	141.6 Å²	141.6	76%	0.757	74%	0.744	S	S	*	*			trans	-69.6	112.5	-180	-171.2	171.1	-26.8	0	0	109.4	S2 G6	S2-Q4 PolarHBondContact OG-N 3.49Å; Q4-G6 PolarHBondContact O-N 3.47Å
5	K	67	Low	73	Confident	191 Å²	191	143.2 Å²	143.2	83%	0.83	74%	0.742	S	S	*	*			trans	-55.1	107.7	165.5	-81.8	163.5	175.5	168.2	0	106.8	S3	S3-K5 PolarHBondContact O-N 3.36Å; S3-K5 VanDerWaalsContact O-N 3.11Å
6	G	66.6	Low	73.9	Confident	54 Å²	54	144.9 Å²	144.9	56%	0.557	74%	0.738	S	S	*	*			trans	-51.1	145.9	180	0	0	0	0	0	110.4	Q4 T8	Q4-G6 PolarHBondContact O-N 3.47Å; G6-T8 WeakPolarHBondContact O-CG2 3.14Å; G6-T8 PolarHBondContact O-N 3.24Å
7	N	67	Low	74.8	Confident	128 Å²	128	145.1 Å²	145.1	68%	0.684	73%	0.732	S	S	*	*			trans	-45	95.6	-173.7	-174.3	11	0	0	0	112	Q9	N7-Q9 PolarHBondContact O-N 2.76Å; N7-Q9 PolarHBondContact OD1-N 2.93Å; N7-Q9 PolarHBondContact OD1-O 3.35Å
8	T	68.2	Low	75.6	Confident	126 Å²	126	145.9 Å²	145.9	77%	0.773	74%	0.739	S	S	*	*			trans	-74.4	-14.9	-174.1	43.3	0	0	0	0	112	G6	G6-T8 WeakPolarHBondContact O-CG2 3.14Å; G6-T8 PolarHBondContact O-N 3.24Å
9	Q	70.3	Confident	76.5	Confident	149 Å²	149	145.8 Å²	145.8	70%	0.696	75%	0.746	S	S	*	*	S	Bend	trans	-104.1	84.7	177.5	-65.3	-71.4	8.1	0	0	109.3	N7 T11	N7-Q9 PolarHBondContact O-N 2.76Å; N7-Q9 PolarHBondContact OD1-N 2.93Å; N7-Q9 PolarHBondContact OD1-O 3.35Å; Q9-T11 PolarHBondContact O-N 3.05Å
10	R	71.7	Confident	77.3	Confident	168 Å²	168	147.6 Å²	147.6	63%	0.634	75%	0.749	S	S	*	*			trans	-68.8	104.4	173	-165.9	-170.8	-170.7	-171.6	3.3	109.1	R12 Q14	R10-R12 PolarHBondContact O-N 3.07Å; R10-Q14 VanDerWaalsContact CZ-OE1 3.22Å
11	T	78	Confident	77.9	Confident	134 Å²	134	144.1 Å²	144.1	82%	0.822	74%	0.743	S	S	*	*			trans	-71	-23.1	-176.8	20.7	0	0	0	0	114.6	Q9	Q9-T11 PolarHBondContact O-N 3.05Å
12	R	80.9	Confident	79.9	Confident	204 Å²	204	137.2 Å²	137.2	77%	0.77	71%	0.706	S	S	*	*	S	Bend	trans	-107.4	137.4	-179.1	-70.3	174.3	87.3	155.2	4.5	111.6	R10	R10-R12 PolarHBondContact O-N 3.07Å
13	P	83.9	Confident	81	Confident	96 Å²	96	138.2 Å²	138.2	62%	0.623	70%	0.696	S	S	*	*			trans	-62.3	157.2	173.3	27.5	-34	0	0	0	110.8	K15	P13-K15 PolarHBondContact O-N 3Å
14	Q	87	Confident	81.9	Confident	99 Å²	99	133.2 Å²	133.2	46%	0.463	66%	0.66	S	S	.	*			trans	-52.8	122.8	174.3	-176.6	75.1	0.2	0	0	110.1	R10 Y16 K17	R10-Q14 VanDerWaalsContact CZ-OE1 3.22Å; Q14-Y16 WeakPolarHBondContact CG-O 3.45Å; Q14-K17 HydrophobicContact CB-CG 4.39Å; Q14-K17 WeakPolarHBondContact O-CG 3.39Å
15	K	88.6	Confident	83.1	Confident	165 Å²	165	129.5 Å²	129.5	72%	0.717	65%	0.645	S	S	*	*	S	Bend	trans	-61.4	-44.1	-177.8	-174.6	179.2	179.9	-169.2	0	112.4	P13	P13-K15 PolarHBondContact O-N 3Å
16	Y	87.7	Confident	84.2	Confident	171 Å²	171	125.7 Å²	125.7	67%	0.671	63%	0.633	S	S	*	*	S	Bend	trans	-108.5	100.1	-179.1	-51.1	-63.8	0	0	0	109.2	Q14	Q14-Y16 WeakPolarHBondContact CG-O 3.45Å
17	K	88.8	Confident	85.2	Confident	147 Å²	147	131.5 Å²	131.5	64%	0.639	65%	0.646	S	S	*	*			trans	-98.4	144.3	175.8	-62	-178.5	-178.2	178.5	0	109.4	Q14 T19	Q14-K17 HydrophobicContact CB-CG 4.39Å; Q14-K17 WeakPolarHBondContact O-CG 3.39Å; K17-T19 PolarHBondContact O-N 2.58Å
18	N	89.9	Confident	86.2	Confident	161 Å²	161	128.2 Å²	128.2	86%	0.861	63%	0.628	S	S	*	*			trans	-66.5	120.5	172.7	-78.5	-19.5	0	0	0	110.1
19	T	92.7	Very high	87.3	Confident	143 Å²	143	126.9 Å²	126.9	88%	0.877	62%	0.62	S	S	*	*	S	Bend	trans	-74.7	-31.6	177.4	-39.5	0	0	0	0	112.3	K17	K17-T19 PolarHBondContact O-N 2.58Å
20	K	92.3	Very high	88.4	Confident	182 Å²	182	121.9 Å²	121.9	79%	0.791	60%	0.601	S	S	*	*	S	Bend	trans	-121	140.3	-177.3	-62.2	-176.9	-177.5	178.2	0	110.1
21	A	90.7	Very high	89.5	Confident	75 Å²	75	122.8 Å²	122.8	62%	0.62	61%	0.61	S	S	*	*			trans	-68	145	173.1	0	0	0	0	0	110.7	K23	A21-K23 PolarHBondContact O-N 3.38Å
22	F	93.2	Very high	90.2	Very high	94 Å²	94	122.2 Å²	122.2	41%	0.412	60%	0.598	S	S	.	*			trans	-62	133	175	-178.2	-102.8	0	0	0	110.9	N24 K57 Y58	F22-N24 HydrophobicContact CE1-CB 4.18Å; F22-K57 WeakPolarHBondContact CD1-O 3.44Å; F22-K57 WeakPolarHBondContact CE1-O 3.46Å; F22-Y58 HydrophobicContact CB-CD1 4.27Å; F22-Y58 HydrophobicContact CB-CE1 3.68Å; F22-Y58 AromaticContact CD1-CD1 3.54Å; F22-Y58 HydrophobicContact CD1-CD1 3.54Å; F22-Y58 AromaticContact CD1-CE1 3.83Å; F22-Y58 HydrophobicContact CD1-CE1 3.83Å; F22-Y58 HydrophobicContact CD1-CG 4.34Å; F22-Y58 HydrophobicContact CE1-CD1 4.17Å; F22-Y58 HydrophobicContact CG-CD1 4.08Å; F22-Y58 HydrophobicContact CG-CE1 4.01Å
23	K	93.4	Very high	90.8	Very high	135 Å²	135	112.9 Å²	112.9	59%	0.587	56%	0.563	S	S	*	*			trans	-123.1	123.8	174.3	-62.9	-175.3	-179.6	-174.5	0	108.2	A21 N25 L26	A21-K23 PolarHBondContact O-N 3.38Å; K23-N25 PolarHBondContact O-N 3.1Å; K23-L26 HydrophobicContact CB-CB 4.29Å; K23-L26 PolarHBondContact O-N 3.41Å
24	N	92.9	Very high	91.3	Very high	13 Å²	13	114.3 Å²	114.3	7%	0.07	56%	0.56	C	S	.	*	T	Hydrogen-bonded Turn	trans	-69.6	-23.1	-175.9	69.2	3.4	0	0	0	113.7	F22 N37 V56 K59	F22-N24 HydrophobicContact CE1-CB 4.18Å; N24-N37 PolarHBondContact ND2-OD1 2.96Å; N24-N37 PolarHBondContact OD1-ND2 3.43Å; N24-N37 PolarHBondContact OD1-OD1 3.16Å; N24-V56 PolarHBondContact ND2-O 2.8Å; N24-K59 HydrophobicContact CB-CG 4.01Å; N24-K59 VanDerWaalsContact O-CE 3.23Å; N24-K59 WeakPolarHBondContact O-CE 3.29Å
25	N	93.4	Very high	91.6	Very high	85 Å²	85	118.2 Å²	118.2	46%	0.455	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.4	5.1	-175.1	64.9	-13.7	0	0	0	113.9	K23 I33	K23-N25 PolarHBondContact O-N 3.1Å; N25-I33 HydrophobicContact CB-CG2 4.42Å
26	L	90.5	Very high	91.9	Very high	111 Å²	111	111 Å²	111	58%	0.581	54%	0.54	S	S	*	.	S	Bend	trans	-67.5	-39.9	-174.6	-175.1	63.2	0	0	0	113	K23	K23-L26 HydrophobicContact CB-CB 4.29Å; K23-L26 PolarHBondContact O-N 3.41Å
27	H	89.3	Confident	92.2	Very high	175 Å²	175	106 Å²	106	81%	0.81	52%	0.524	S	S	*	.	S	Bend	trans	-123.3	-12.9	-177.1	-58.9	-59	0	0	0	113.3
28	D	87.8	Confident	92.4	Very high	60 Å²	60	105.3 Å²	105.3	32%	0.321	53%	0.528	S	S	.	.			trans	-127.4	99.9	-174.8	-172.9	-10.1	0	0	0	107.5	S30 I33 K59	D28-S30 VanDerWaalsContact OD1-CB 3.26Å; D28-S30 WeakPolarHBondContact OD1-CB 3.39Å; D28-S30 PolarHBondContact OD1-N 3.47Å; D28-S30 PolarHBondContact OD1-OG 2.88Å; D28-I33 HydrophobicContact CB-CD1 3.5Å; D28-I33 VanDerWaalsContact CB-CD1 3.5Å; D28-I33 WeakPolarHBondContact O-CD1 3.48Å; D28-I33 WeakPolarHBondContact OD1-CD1 3.36Å; D28-I33 WeakPolarHBondContact OD2-CD1 3.32Å; D28-K59 IonicContact OD2-NZ 2.76Å; D28-K59 PolarHBondContact OD2-NZ 3.24Å
29	T	91.1	Very high	92.4	Very high	97 Å²	97	100.5 Å²	100.5	60%	0.595	50%	0.502	S	S	*	.			trans	-103.9	22.2	-176.8	53.2	0	0	0	0	111.6
30	S	93.4	Very high	92.3	Very high	44 Å²	44	98.1 Å²	98.1	31%	0.308	49%	0.487	S	S	.	.			trans	-53.7	150.8	177.6	56.4	0	0	0	0	112.3	D28 E32 I33 K34	D28-S30 VanDerWaalsContact OD1-CB 3.26Å; D28-S30 WeakPolarHBondContact OD1-CB 3.39Å; D28-S30 PolarHBondContact OD1-N 3.47Å; D28-S30 PolarHBondContact OD1-OG 2.88Å; S30-E32 PolarHBondContact O-N 3.08Å; S30-I33 PolarHBondContact O-N 3.29Å; S30-I33 VanDerWaalsContact O-N 3.17Å; S30-K34 PolarHBondContact O-N 2.98Å; S30-K34 VanDerWaalsContact O-N 3.16Å
31	K	94.5	Very high	92.1	Very high	188 Å²	188	91.2 Å²	91.2	82%	0.817	46%	0.457	S	S	*	.	H	α-helix	trans	-55.8	-34.2	176.5	-66.7	179.8	-179.7	178.9	0	111.4	K34 R35	K31-K34 PolarHBondContact O-N 3.41Å; K31-R35 WeakPolarHBondContact O-CB 3.18Å; K31-R35 PolarHBondContact O-N 3.43Å
32	E	92.3	Very high	92	Very high	121 Å²	121	89.9 Å²	89.9	57%	0.565	44%	0.44	S	S	*	.	H	α-helix	trans	-63.8	-47.9	177.7	-171.1	-179.4	173.5	0	0	112.2	S30 K34 R35 L36	S30-E32 PolarHBondContact O-N 3.08Å; E32-K34 VanDerWaalsContact C-N 3.32Å; E32-K34 PolarHBondContact O-N 3.1Å; E32-R35 WeakPolarHBondContact O-CB 3.47Å; E32-R35 PolarHBondContact O-N 3.11Å; E32-R35 VanDerWaalsContact O-N 3.13Å; E32-L36 HydrophobicContact CG-CD1 4.4Å; E32-L36 WeakPolarHBondContact O-CG 3.34Å; E32-L36 PolarHBondContact O-N 3.37Å
33	I	93.6	Very high	92	Very high	9 Å²	9	87.1 Å²	87.1	5%	0.046	43%	0.427	C	S	.	.	H	α-helix	trans	-64.4	-39.4	178.3	-72.2	175.4	0	0	0	111.5	N25 D28 S30 R35 L36 N37 K59	N25-I33 HydrophobicContact CB-CG2 4.42Å; D28-I33 HydrophobicContact CB-CD1 3.5Å; D28-I33 VanDerWaalsContact CB-CD1 3.5Å; D28-I33 WeakPolarHBondContact O-CD1 3.48Å; D28-I33 WeakPolarHBondContact OD1-CD1 3.36Å; D28-I33 WeakPolarHBondContact OD2-CD1 3.32Å; S30-I33 PolarHBondContact O-N 3.29Å; S30-I33 VanDerWaalsContact O-N 3.17Å; I33-R35 VanDerWaalsContact C-N 3.32Å; I33-R35 PolarHBondContact O-N 3.11Å; I33-L36 PolarHBondContact O-N 3.24Å; I33-N37 WeakPolarHBondContact O-CB 3.33Å; I33-N37 PolarHBondContact O-N 2.95Å; I33-N37 PolarHBondContact O-ND2 3.35Å; I33-K59 HydrophobicContact CD1-CD 4.31Å; I33-K59 VanDerWaalsContact CD1-CE 3.46Å
34	K	94.4	Very high	92	Very high	126 Å²	126	80.7 Å²	80.7	55%	0.548	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-46.3	173.1	-68.7	-177.2	-178	-178.5	0	110.8	S30 K31 E32 L36 N37 N38	S30-K34 PolarHBondContact O-N 2.98Å; S30-K34 VanDerWaalsContact O-N 3.16Å; K31-K34 PolarHBondContact O-N 3.41Å; E32-K34 VanDerWaalsContact C-N 3.32Å; E32-K34 PolarHBondContact O-N 3.1Å; K34-L36 PolarHBondContact O-N 3.41Å; K34-N37 PolarHBondContact O-N 2.92Å; K34-N38 VanDerWaalsContact O-CG 3.24Å; K34-N38 PolarHBondContact O-N 2.92Å; K34-N38 VanDerWaalsContact O-N 3.12Å; K34-N38 PolarHBondContact O-ND2 3.1Å
35	R	94.2	Very high	92	Very high	180 Å²	180	80.8 Å²	80.8	68%	0.679	40%	0.401	S	S	*	.	H	α-helix	trans	-59.4	-46.2	175.8	-169.8	-173.8	-132.3	147.4	3.4	111.9	K31 E32 I33 N37 N38 L39	K31-R35 WeakPolarHBondContact O-CB 3.18Å; K31-R35 PolarHBondContact O-N 3.43Å; E32-R35 WeakPolarHBondContact O-CB 3.47Å; E32-R35 PolarHBondContact O-N 3.11Å; E32-R35 VanDerWaalsContact O-N 3.13Å; I33-R35 VanDerWaalsContact C-N 3.32Å; I33-R35 PolarHBondContact O-N 3.11Å; R35-N37 PolarHBondContact O-N 3.05Å; R35-N38 PolarHBondContact O-N 3.19Å; R35-L39 PolarHBondContact O-N 2.92Å
36	L	93.9	Very high	92	Very high	15 Å²	15	79.8 Å²	79.8	8%	0.079	40%	0.399	C	S	.	.	H	α-helix	trans	-63.8	-39.9	179.7	-70.1	177.6	0	0	0	112.2	E32 I33 K34 N38 L39 V56 Y61	E32-L36 HydrophobicContact CG-CD1 4.4Å; E32-L36 WeakPolarHBondContact O-CG 3.34Å; E32-L36 PolarHBondContact O-N 3.37Å; I33-L36 PolarHBondContact O-N 3.24Å; K34-L36 PolarHBondContact O-N 3.41Å; L36-N38 VanDerWaalsContact C-N 3.28Å; L36-N38 PolarHBondContact O-N 3.3Å; L36-L39 HydrophobicContact CD2-CD1 3.73Å; L36-L39 WeakPolarHBondContact O-CB 3.46Å; L36-L39 PolarHBondContact O-N 3Å; L36-V56 HydrophobicContact CB-CG1 4.19Å; L36-V56 WeakPolarHBondContact O-CG1 3.17Å; L36-Y61 HydrophobicContact CD2-CD1 3.55Å; L36-Y61 HydrophobicContact CD2-CE1 3.96Å; L36-Y61 HydrophobicContact CD2-CG 4.31Å
37	N	93.2	Very high	92.2	Very high	64 Å²	64	83.6 Å²	83.6	34%	0.342	41%	0.406	S	S	.	.	H	α-helix	trans	-67.8	-28.5	177.6	-77.2	-24.4	0	0	0	113.3	N24 I33 K34 R35 L39	N24-N37 PolarHBondContact ND2-OD1 2.96Å; N24-N37 PolarHBondContact OD1-ND2 3.43Å; N24-N37 PolarHBondContact OD1-OD1 3.16Å; I33-N37 WeakPolarHBondContact O-CB 3.33Å; I33-N37 PolarHBondContact O-N 2.95Å; I33-N37 PolarHBondContact O-ND2 3.35Å; K34-N37 PolarHBondContact O-N 2.92Å; R35-N37 PolarHBondContact O-N 3.05Å; N37-L39 VanDerWaalsContact C-N 3.33Å
38	N	93.1	Very high	92.4	Very high	134 Å²	134	75.6 Å²	75.6	72%	0.717	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	2.8	178.6	-65.1	-14.4	0	0	0	113.1	K34 R35 L36 T40	K34-N38 VanDerWaalsContact O-CG 3.24Å; K34-N38 PolarHBondContact O-N 2.92Å; K34-N38 VanDerWaalsContact O-N 3.12Å; K34-N38 PolarHBondContact O-ND2 3.1Å; R35-N38 PolarHBondContact O-N 3.19Å; L36-N38 VanDerWaalsContact C-N 3.28Å; L36-N38 PolarHBondContact O-N 3.3Å; N38-T40 PolarHBondContact O-N 2.85Å
39	L	91	Very high	92.7	Very high	60 Å²	60	74 Å²	74	31%	0.314	36%	0.362	S	S	.	.			trans	-64.8	128.1	175.9	-79	166.9	0	0	0	110.7	R35 L36 N37 F41 Y61	R35-L39 PolarHBondContact O-N 2.92Å; L36-L39 HydrophobicContact CD2-CD1 3.73Å; L36-L39 WeakPolarHBondContact O-CB 3.46Å; L36-L39 PolarHBondContact O-N 3Å; N37-L39 VanDerWaalsContact C-N 3.33Å; L39-F41 HydrophobicContact CB-CE1 4.05Å; L39-F41 HydrophobicContact CB-CZ 4.19Å; L39-Y61 HydrophobicContact CD1-CE1 3.96Å; L39-Y61 HydrophobicContact CD1-CE2 4.44Å
40	T	89.7	Confident	92.9	Very high	93 Å²	93	74.1 Å²	74.1	57%	0.571	36%	0.359	S	S	*	.			trans	-87.8	143.3	167.6	59.2	0	0	0	0	110	N38 D42	N38-T40 PolarHBondContact O-N 2.85Å; T40-D42 PolarHBondContact OG1-OD2 3.36Å
41	F	89.4	Confident	93	Very high	36 Å²	36	74.8 Å²	74.8	16%	0.158	36%	0.361	C	S	.	.			trans	-114.9	77.3	-176.9	-60.1	-53.5	0	0	0	110.4	L39 L44 T49 V52 Q53 V56 Y61	L39-F41 HydrophobicContact CB-CE1 4.05Å; L39-F41 HydrophobicContact CB-CZ 4.19Å; F41-L44 HydrophobicContact CB-CD1 4.19Å; F41-T49 HydrophobicContact CB-CG2 4.06Å; F41-T49 HydrophobicContact CD2-CG2 4.27Å; F41-V52 HydrophobicContact CD1-CB 4.34Å; F41-V52 HydrophobicContact CD1-CG1 3.67Å; F41-V52 HydrophobicContact CE1-CB 4.29Å; F41-V52 HydrophobicContact CE1-CG1 3.32Å; F41-V52 HydrophobicContact CG-CG1 4.44Å; F41-V52 HydrophobicContact CZ-CG1 3.83Å; F41-Q53 HydrophobicContact CD2-CB 4.39Å; F41-Q53 HydrophobicContact CE2-CB 3.92Å; F41-Q53 HydrophobicContact CE2-CG 4.31Å; F41-V56 HydrophobicContact CE1-CG2 4.46Å; F41-V56 HydrophobicContact CZ-CB 4.5Å; F41-V56 HydrophobicContact CZ-CG2 3.75Å; F41-Y61 HydrophobicContact CE1-CE2 4.43Å
42	D	88.5	Confident	93.1	Very high	48 Å²	48	65.9 Å²	65.9	26%	0.257	32%	0.323	S	S	.	.			trans	-84.2	158.2	179.6	-53.6	-46.7	0	0	0	111	T40 L44	T40-D42 PolarHBondContact OG1-OD2 3.36Å; D42-L44 VanDerWaalsContact C-N 3.29Å; D42-L44 PolarHBondContact O-N 3.4Å
43	F	92.1	Very high	93.2	Very high	35 Å²	35	65.2 Å²	65.2	15%	0.154	32%	0.319	C	S	.	.	S	Bend	trans	64.3	25.7	176.6	-51.2	-85.6	0	0	0	115	T87 F91 S97 T107 F108	F43-T87 HydrophobicContact CD2-CG2 4.08Å; F43-T87 HydrophobicContact CE2-CG2 4.09Å; F43-F91 HydrophobicContact CE1-CB 4.18Å; F43-F91 HydrophobicContact CE1-CD2 4.09Å; F43-S97 WeakPolarHBondContact CB-OG 3.41Å; F43-S97 WeakPolarHBondContact O-CB 3.17Å; F43-S97 PolarHBondContact O-N 2.72Å; F43-S97 PolarHBondContact O-OG 3.28Å; F43-T107 WeakPolarHBondContact CA-O 3.48Å; F43-T107 PolarHBondContact N-O 2.9Å; F43-F108 AromaticContact CD1-CD1 3.53Å; F43-F108 HydrophobicContact CD1-CD1 3.53Å; F43-F108 HydrophobicContact CD1-CE1 4.03Å; F43-F108 HydrophobicContact CE1-CB 4.5Å; F43-F108 AromaticContact CE1-CD1 3.83Å; F43-F108 HydrophobicContact CE1-CD1 3.83Å
44	L	93.2	Very high	93.3	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.005	34%	0.339	C	S	.	.			trans	-116.8	149.3	179	-65.9	-178.6	0	0	0	111.4	F41 D42 C48 T49 V52 K98 T107	F41-L44 HydrophobicContact CB-CD1 4.19Å; D42-L44 VanDerWaalsContact C-N 3.29Å; D42-L44 PolarHBondContact O-N 3.4Å; L44-C48 HydrophobicContact CB-CB 4.24Å; L44-C48 HydrophobicContact CD2-CB 4.16Å; L44-T49 WeakPolarHBondContact CB-OG1 3.18Å; L44-V52 HydrophobicContact CD1-CG2 4.06Å; L44-K98 HydrophobicContact CD2-CB 3.51Å; L44-T107 PolarHBondContact O-N 3.24Å; L44-T107 PolarHBondContact O-OG1 3.35Å
45	C	93.9	Very high	93.4	Very high	14 Å²	14	66.8 Å²	66.8	10%	0.095	32%	0.322	C	S	.	.			trans	-77.5	159.3	166.6	71.3	0	0	0	0	110.2	R47 C48 T49 C96 I106	C45-R47 VanDerWaalsContact C-N 3.28Å; C45-R47 PolarHBondContact O-N 3.21Å; C45-R47 VanDerWaalsContact O-N 3.16Å; C45-C48 WeakPolarHBondContact O-CA 3.45Å; C45-C48 PolarHBondContact O-N 2.9Å; C45-T49 PolarHBondContact O-N 2.85Å; C45-T49 PolarHBondContact O-OG1 3.39Å; C45-T49 VanDerWaalsContact O-OG1 3.1Å; C45-C96 HydrophobicContact CB-CB 4.17Å; C45-C96 PolarHBondContact N-SG 3.17Å; C45-C96 VanDerWaalsContact N-SG 3.36Å; C45-I106 HydrophobicContact CB-CG1 4.48Å
46	P	92.6	Very high	93.5	Very high	65 Å²	65	58.6 Å²	58.6	42%	0.422	29%	0.293	S	S	.	.	H	α-helix	trans	-57.2	-42.6	-171.1	-24.8	35.5	0	0	0	112.2	C48 T49 D50 P105	P46-C48 VanDerWaalsContact C-N 3.3Å; P46-C48 PolarHBondContact O-N 3.26Å; P46-T49 WeakPolarHBondContact O-CB 3.4Å; P46-T49 PolarHBondContact O-N 3.48Å; P46-D50 VanDerWaalsContact O-CG 3.26Å; P46-D50 PolarHBondContact O-N 3.06Å; P46-P105 WeakPolarHBondContact CD-O 3.36Å; P46-P105 HydrophobicContact CG-CG 4Å
47	R	94	Very high	93.6	Very high	190 Å²	190	62.5 Å²	62.5	72%	0.717	31%	0.309	S	S	*	.	H	α-helix	trans	-56.4	-43.1	174.8	-176.9	-169.8	175.3	-169.4	0.6	112.5	C45 V51	C45-R47 VanDerWaalsContact C-N 3.28Å; C45-R47 PolarHBondContact O-N 3.21Å; C45-R47 VanDerWaalsContact O-N 3.16Å; R47-V51 VanDerWaalsContact O-CG2 3.32Å; R47-V51 WeakPolarHBondContact O-CG2 3.37Å; R47-V51 PolarHBondContact O-N 3.34Å
48	C	95.1	Very high	93.7	Very high	7 Å²	7	63.6 Å²	63.6	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-73.8	-38.3	-179.5	-73.4	0	0	0	0	111.2	L44 C45 P46 D50 V51 V52 K98	L44-C48 HydrophobicContact CB-CB 4.24Å; L44-C48 HydrophobicContact CD2-CB 4.16Å; C45-C48 WeakPolarHBondContact O-CA 3.45Å; C45-C48 PolarHBondContact O-N 2.9Å; P46-C48 VanDerWaalsContact C-N 3.3Å; P46-C48 PolarHBondContact O-N 3.26Å; C48-D50 VanDerWaalsContact C-N 3.33Å; C48-D50 PolarHBondContact O-N 3.31Å; C48-V51 PolarHBondContact O-N 2.83Å; C48-V52 WeakPolarHBondContact O-CG2 3.43Å; C48-V52 PolarHBondContact O-N 2.95Å; C48-K98 HydrophobicContact CB-CB 4.24Å; C48-K98 HydrophobicContact CB-CD 4.06Å
49	T	94.3	Very high	93.7	Very high	27 Å²	27	61.6 Å²	61.6	17%	0.166	29%	0.294	C	S	.	.	H	α-helix	trans	-55.9	-48.7	173.5	-52.9	0	0	0	0	110.5	F41 L44 C45 P46 V51 V52 Q53	F41-T49 HydrophobicContact CB-CG2 4.06Å; F41-T49 HydrophobicContact CD2-CG2 4.27Å; L44-T49 WeakPolarHBondContact CB-OG1 3.18Å; C45-T49 PolarHBondContact O-N 2.85Å; C45-T49 PolarHBondContact O-OG1 3.39Å; C45-T49 VanDerWaalsContact O-OG1 3.1Å; P46-T49 WeakPolarHBondContact O-CB 3.4Å; P46-T49 PolarHBondContact O-N 3.48Å; T49-V51 VanDerWaalsContact C-N 3.3Å; T49-V51 PolarHBondContact O-N 3.38Å; T49-V52 PolarHBondContact O-N 3.49Å; T49-V52 VanDerWaalsContact O-N 3.15Å; T49-Q53 VanDerWaalsContact O-CB 3.3Å; T49-Q53 WeakPolarHBondContact O-CB 3.32Å; T49-Q53 PolarHBondContact O-N 2.96Å
50	D	94.7	Very high	93.9	Very high	100 Å²	100	64.1 Å²	64.1	54%	0.535	30%	0.302	S	S	.	.	H	α-helix	trans	-58.2	-41.4	177.8	-66.2	-26.5	0	0	0	112.5	P46 C48 W54	P46-D50 VanDerWaalsContact O-CG 3.26Å; P46-D50 PolarHBondContact O-N 3.06Å; C48-D50 VanDerWaalsContact C-N 3.33Å; C48-D50 PolarHBondContact O-N 3.31Å; D50-W54 WeakPolarHBondContact O-CB 3.43Å; D50-W54 PolarHBondContact O-N 2.84Å
51	V	95.8	Very high	94.1	Very high	57 Å²	57	61.2 Å²	61.2	35%	0.345	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-42.3	178.8	171.6	0	0	0	0	111.4	R47 C48 T49 K55	R47-V51 VanDerWaalsContact O-CG2 3.32Å; R47-V51 WeakPolarHBondContact O-CG2 3.37Å; R47-V51 PolarHBondContact O-N 3.34Å; C48-V51 PolarHBondContact O-N 2.83Å; T49-V51 VanDerWaalsContact C-N 3.3Å; T49-V51 PolarHBondContact O-N 3.38Å; V51-K55 WeakPolarHBondContact O-CG 3.47Å; V51-K55 PolarHBondContact O-N 3.34Å
52	V	95.6	Very high	94.3	Very high	2 Å²	2	66 Å²	66	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-73.8	-42.8	179.9	-176	0	0	0	0	110.7	F41 L44 C48 T49 W54 K55 V56 Y61 Y82 K98	F41-V52 HydrophobicContact CD1-CB 4.34Å; F41-V52 HydrophobicContact CD1-CG1 3.67Å; F41-V52 HydrophobicContact CE1-CB 4.29Å; F41-V52 HydrophobicContact CE1-CG1 3.32Å; F41-V52 HydrophobicContact CG-CG1 4.44Å; F41-V52 HydrophobicContact CZ-CG1 3.83Å; L44-V52 HydrophobicContact CD1-CG2 4.06Å; C48-V52 WeakPolarHBondContact O-CG2 3.43Å; C48-V52 PolarHBondContact O-N 2.95Å; T49-V52 PolarHBondContact O-N 3.49Å; T49-V52 VanDerWaalsContact O-N 3.15Å; V52-W54 VanDerWaalsContact C-N 3.29Å; V52-W54 PolarHBondContact O-N 2.91Å; V52-K55 WeakPolarHBondContact O-CB 3.39Å; V52-K55 PolarHBondContact O-N 2.97Å; V52-V56 PolarHBondContact O-N 3.37Å; V52-V56 VanDerWaalsContact O-N 3.08Å; V52-Y61 HydrophobicContact CG1-CD2 4.08Å; V52-Y61 HydrophobicContact CG1-CE2 3.7Å; V52-Y82 HydrophobicContact CG1-CD2 4.38Å; V52-K98 HydrophobicContact CG2-CD 4.22Å
53	Q	95.3	Very high	94.5	Very high	107 Å²	107	69.2 Å²	69.2	50%	0.5	32%	0.317	S	S	.	.	H	α-helix	trans	-60.6	-39.2	175.3	-171	178.5	8.6	0	0	111.6	F41 T49 K55 V56 K57	F41-Q53 HydrophobicContact CD2-CB 4.39Å; F41-Q53 HydrophobicContact CE2-CB 3.92Å; F41-Q53 HydrophobicContact CE2-CG 4.31Å; T49-Q53 VanDerWaalsContact O-CB 3.3Å; T49-Q53 WeakPolarHBondContact O-CB 3.32Å; T49-Q53 PolarHBondContact O-N 2.96Å; Q53-K55 VanDerWaalsContact C-N 3.33Å; Q53-K55 PolarHBondContact O-N 2.83Å; Q53-V56 PolarHBondContact O-N 3.23Å; Q53-K57 WeakPolarHBondContact O-CB 3.3Å; Q53-K57 PolarHBondContact O-N 3.49Å
54	W	95.8	Very high	94.6	Very high	120 Å²	120	69.7 Å²	69.7	46%	0.455	32%	0.321	S	S	.	.	H	α-helix	trans	-60.1	-43	173.1	179.8	92.9	0	0	0	111.8	D50 V52 V56 K57 Y58 K60	D50-W54 WeakPolarHBondContact O-CB 3.43Å; D50-W54 PolarHBondContact O-N 2.84Å; V52-W54 VanDerWaalsContact C-N 3.29Å; V52-W54 PolarHBondContact O-N 2.91Å; W54-V56 VanDerWaalsContact C-N 3.31Å; W54-V56 PolarHBondContact O-N 3.29Å; W54-K57 PolarHBondContact O-N 2.81Å; W54-Y58 AromaticContact CD1-CD2 3.48Å; W54-Y58 VanDerWaalsContact CD1-CD2 3.48Å; W54-Y58 AromaticContact CD1-CE2 3.39Å; W54-Y58 AromaticContact CD2-CD2 3.92Å; W54-Y58 HydrophobicContact CD2-CD2 3.92Å; W54-Y58 AromaticContact CE2-CD2 3.54Å; W54-Y58 AromaticContact CE2-CE2 3.96Å; W54-Y58 AromaticContact CG-CD2 3.89Å; W54-Y58 HydrophobicContact CG-CD2 3.89Å; W54-Y58 HydrophobicContact CG-CE2 4.22Å; W54-Y58 HydrophobicContact CZ2-CD2 4.2Å; W54-Y58 AromaticContact NE1-CD2 3.24Å; W54-Y58 AromaticContact NE1-CE2 3.18Å; W54-Y58 WeakPolarHBondContact O-CD2 3.22Å; W54-Y58 PolarHBondContact O-N 3.33Å; W54-K60 HydrophobicContact CH2-CD 3.74Å; W54-K60 HydrophobicContact CZ3-CD 3.89Å
55	K	96.9	Very high	94.6	Very high	47 Å²	47	74.4 Å²	74.4	20%	0.204	36%	0.36	C	S	.	.	H	α-helix	trans	-60.2	-42.1	176.3	-72	167.6	170.9	-76.2	0	111.4	V51 V52 Q53 K59 K60 Y61 Y82	V51-K55 WeakPolarHBondContact O-CG 3.47Å; V51-K55 PolarHBondContact O-N 3.34Å; V52-K55 WeakPolarHBondContact O-CB 3.39Å; V52-K55 PolarHBondContact O-N 2.97Å; Q53-K55 VanDerWaalsContact C-N 3.33Å; Q53-K55 PolarHBondContact O-N 2.83Å; K55-K59 PolarHBondContact O-N 3.24Å; K55-K60 CarbonylContact O-C 3.41Å; K55-K60 PolarHBondContact O-N 2.71Å; K55-Y61 HydrophobicContact CB-CD2 4.42Å; K55-Y61 PolarHBondContact O-N 2.85Å; K55-Y82 HydrophobicContact CD-CD1 4.2Å; K55-Y82 HydrophobicContact CD-CD2 4.26Å; K55-Y82 HydrophobicContact CD-CE1 3.77Å; K55-Y82 HydrophobicContact CD-CE2 3.81Å; K55-Y82 HydrophobicContact CD-CG 4.43Å; K55-Y82 VanDerWaalsContact NZ-CE1 3.34Å
56	V	95.6	Very high	94.6	Very high	9 Å²	9	79.8 Å²	79.8	6%	0.055	39%	0.388	C	S	.	.	H	α-helix	trans	-64.4	-48.3	174.4	169.3	0	0	0	0	111.5	N24 L36 F41 V52 Q53 W54 Y58 K59 Y61	N24-V56 PolarHBondContact ND2-O 2.8Å; L36-V56 HydrophobicContact CB-CG1 4.19Å; L36-V56 WeakPolarHBondContact O-CG1 3.17Å; F41-V56 HydrophobicContact CE1-CG2 4.46Å; F41-V56 HydrophobicContact CZ-CB 4.5Å; F41-V56 HydrophobicContact CZ-CG2 3.75Å; V52-V56 PolarHBondContact O-N 3.37Å; V52-V56 VanDerWaalsContact O-N 3.08Å; Q53-V56 PolarHBondContact O-N 3.23Å; W54-V56 VanDerWaalsContact C-N 3.31Å; W54-V56 PolarHBondContact O-N 3.29Å; V56-Y58 PolarHBondContact O-N 3.18Å; V56-K59 PolarHBondContact O-N 3.15Å; V56-K59 VanDerWaalsContact O-N 3.17Å; V56-Y61 HydrophobicContact CG2-CD2 3.55Å; V56-Y61 HydrophobicContact CG2-CE2 4.23Å; V56-Y61 HydrophobicContact CG2-CG 3.82Å
57	K	95.1	Very high	94.8	Very high	96 Å²	96	79.9 Å²	79.9	42%	0.417	39%	0.389	S	S	.	.	H	α-helix	trans	-57	-35.7	-179.1	-176.5	173.8	-179	174.7	0	112.8	F22 Q53 W54	F22-K57 WeakPolarHBondContact CD1-O 3.44Å; F22-K57 WeakPolarHBondContact CE1-O 3.46Å; Q53-K57 WeakPolarHBondContact O-CB 3.3Å; Q53-K57 PolarHBondContact O-N 3.49Å; W54-K57 PolarHBondContact O-N 2.81Å
58	Y	95.2	Very high	94.9	Very high	88 Å²	88	78.3 Å²	78.3	35%	0.345	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	16.8	-177.7	-70.1	-79.2	0	0	0	114.3	F22 W54 V56 K60	F22-Y58 HydrophobicContact CB-CD1 4.27Å; F22-Y58 HydrophobicContact CB-CE1 3.68Å; F22-Y58 AromaticContact CD1-CD1 3.54Å; F22-Y58 HydrophobicContact CD1-CD1 3.54Å; F22-Y58 AromaticContact CD1-CE1 3.83Å; F22-Y58 HydrophobicContact CD1-CE1 3.83Å; F22-Y58 HydrophobicContact CD1-CG 4.34Å; F22-Y58 HydrophobicContact CE1-CD1 4.17Å; F22-Y58 HydrophobicContact CG-CD1 4.08Å; F22-Y58 HydrophobicContact CG-CE1 4.01Å; W54-Y58 AromaticContact CD1-CD2 3.48Å; W54-Y58 VanDerWaalsContact CD1-CD2 3.48Å; W54-Y58 AromaticContact CD1-CE2 3.39Å; W54-Y58 AromaticContact CD2-CD2 3.92Å; W54-Y58 HydrophobicContact CD2-CD2 3.92Å; W54-Y58 AromaticContact CE2-CD2 3.54Å; W54-Y58 AromaticContact CE2-CE2 3.96Å; W54-Y58 AromaticContact CG-CD2 3.89Å; W54-Y58 HydrophobicContact CG-CD2 3.89Å; W54-Y58 HydrophobicContact CG-CE2 4.22Å; W54-Y58 HydrophobicContact CZ2-CD2 4.2Å; W54-Y58 AromaticContact NE1-CD2 3.24Å; W54-Y58 AromaticContact NE1-CE2 3.18Å; W54-Y58 WeakPolarHBondContact O-CD2 3.22Å; W54-Y58 PolarHBondContact O-N 3.33Å; V56-Y58 PolarHBondContact O-N 3.18Å; Y58-K60 WeakPolarHBondContact O-CG 3.46Å; Y58-K60 PolarHBondContact O-N 3.35Å
59	K	93.7	Very high	95	Very high	92 Å²	92	81.8 Å²	81.8	40%	0.4	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	31.8	-179.6	-53.6	-173.3	-179.6	-169.8	0	113.9	N24 D28 I33 K55 V56	N24-K59 HydrophobicContact CB-CG 4.01Å; N24-K59 VanDerWaalsContact O-CE 3.23Å; N24-K59 WeakPolarHBondContact O-CE 3.29Å; D28-K59 IonicContact OD2-NZ 2.76Å; D28-K59 PolarHBondContact OD2-NZ 3.24Å; I33-K59 HydrophobicContact CD1-CD 4.31Å; I33-K59 VanDerWaalsContact CD1-CE 3.46Å; K55-K59 PolarHBondContact O-N 3.24Å; V56-K59 PolarHBondContact O-N 3.15Å; V56-K59 VanDerWaalsContact O-N 3.17Å
60	K	94.8	Very high	95.1	Very high	112 Å²	112	80.5 Å²	80.5	49%	0.487	40%	0.396	S	S	.	.			trans	-106.6	16.6	176.1	-60.2	-169.3	179.7	-175	0	112.7	W54 K55 Y58 Y82	W54-K60 HydrophobicContact CH2-CD 3.74Å; W54-K60 HydrophobicContact CZ3-CD 3.89Å; K55-K60 CarbonylContact O-C 3.41Å; K55-K60 PolarHBondContact O-N 2.71Å; Y58-K60 WeakPolarHBondContact O-CG 3.46Å; Y58-K60 PolarHBondContact O-N 3.35Å; K60-Y82 PolarHBondContact O-OH 3.24Å
61	Y	95.5	Very high	95.2	Very high	33 Å²	33	80.4 Å²	80.4	13%	0.129	40%	0.399	C	S	.	.			trans	-85.8	129.1	178.2	-174	-86.6	0	0	0	109.5	L36 L39 F41 V52 K55 V56 Q63 A81 Y82	L36-Y61 HydrophobicContact CD2-CD1 3.55Å; L36-Y61 HydrophobicContact CD2-CE1 3.96Å; L36-Y61 HydrophobicContact CD2-CG 4.31Å; L39-Y61 HydrophobicContact CD1-CE1 3.96Å; L39-Y61 HydrophobicContact CD1-CE2 4.44Å; F41-Y61 HydrophobicContact CE1-CE2 4.43Å; V52-Y61 HydrophobicContact CG1-CD2 4.08Å; V52-Y61 HydrophobicContact CG1-CE2 3.7Å; K55-Y61 HydrophobicContact CB-CD2 4.42Å; K55-Y61 PolarHBondContact O-N 2.85Å; V56-Y61 HydrophobicContact CG2-CD2 3.55Å; V56-Y61 HydrophobicContact CG2-CE2 4.23Å; V56-Y61 HydrophobicContact CG2-CG 3.82Å; Y61-Q63 HydrophobicContact CD1-CG 4.26Å; Y61-Q63 HydrophobicContact CE1-CG 3.8Å; Y61-A81 HydrophobicContact CE1-CB 4.27Å; Y61-A81 HydrophobicContact CE2-CB 4.42Å; Y61-A81 WeakPolarHBondContact OH-CB 3.44Å; Y61-Y82 HydrophobicContact CD2-CD2 4.08Å; Y61-Y82 AromaticContact CD2-CE2 3.55Å; Y61-Y82 HydrophobicContact CD2-CE2 3.55Å; Y61-Y82 AromaticContact CE2-CD2 3.77Å; Y61-Y82 HydrophobicContact CE2-CD2 3.77Å; Y61-Y82 AromaticContact CE2-CE2 3.66Å; Y61-Y82 HydrophobicContact CE2-CE2 3.66Å; Y61-Y82 HydrophobicContact CG-CE2 4.1Å
62	H	93.2	Very high	95.2	Very high	137 Å²	137	82.6 Å²	82.6	63%	0.634	40%	0.403	S	S	*	.			trans	-118.7	121.5	178.3	-64.5	-75	0	0	0	109.5	A81 Y82	H62-A81 VanDerWaalsContact O-CB 3.27Å; H62-A81 WeakPolarHBondContact O-CB 3.31Å; H62-Y82 PolarHBondContact N-OH 3.45Å
63	Q	92.6	Very high	95.2	Very high	115 Å²	115	85.6 Å²	85.6	54%	0.537	42%	0.424	S	S	.	.			trans	-71.7	154.6	174.1	-68	174.8	1.6	0	0	110.6	Y61	Y61-Q63 HydrophobicContact CD1-CG 4.26Å; Y61-Q63 HydrophobicContact CE1-CG 3.8Å
64	L	93.3	Very high	95.2	Very high	44 Å²	44	86.3 Å²	86.3	23%	0.23	43%	0.431	C	S	.	.			trans	-81	132.3	171.5	-66.5	175	0	0	0	109.1	R68 Q80 A81	L64-R68 HydrophobicContact CD1-CG 4.22Å; L64-R68 HydrophobicContact CD2-CG 4.01Å; L64-Q80 VanDerWaalsContact CD1-O 3.31Å; L64-Q80 WeakPolarHBondContact CD1-O 3.41Å; L64-A81 HydrophobicContact CG-CB 4.15Å
65	A	94.3	Very high	95.2	Very high	100 Å²	100	81.9 Å²	81.9	83%	0.826	42%	0.422	S	S	*	.	S	Bend	trans	-75.2	-39.9	169.4	0	0	0	0	0	111.3
66	N	94.3	Very high	95.1	Very high	128 Å²	128	87.1 Å²	87.1	68%	0.684	45%	0.445	S	S	*	.	S	Bend	trans	-129.1	149.1	179.4	-67.3	-41.3	0	0	0	110
67	P	95.9	Very high	95.2	Very high	67 Å²	67	89.2 Å²	89.2	44%	0.435	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-62.2	143	176.8	26.4	-34.1	0	0	0	111.4	V78	P67-V78 CarbonylContact C-O 3.56Å; P67-V78 VanDerWaalsContact CA-O 3.26Å; P67-V78 WeakPolarHBondContact CA-O 3.45Å
68	R	95.6	Very high	95.2	Very high	157 Å²	157	84.7 Å²	84.7	59%	0.592	44%	0.438	S	S	*	.	B	Isolated β-bridge	trans	-93.6	160.7	179.5	-71.7	-173.7	179.5	-148.5	0.6	111.9	L64 K76 T77 V78	L64-R68 HydrophobicContact CD1-CG 4.22Å; L64-R68 HydrophobicContact CD2-CG 4.01Å; R68-K76 CarbonylContact O-C 3.56Å; R68-K76 WeakPolarHBondContact O-CA 3.35Å; R68-T77 PolarHBondContact O-N 3.13Å; R68-V78 HydrophobicContact CB-CB 4.06Å; R68-V78 HydrophobicContact CB-CG1 4.47Å; R68-V78 PolarHBondContact N-O 2.98Å; R68-V78 WeakPolarHBondContact O-CB 3.3Å; R68-V78 PolarHBondContact O-N 2.77Å
69	V	96.9	Very high	95.1	Very high	80 Å²	80	89.2 Å²	89.2	49%	0.485	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-72.3	130.4	173.3	-179	0	0	0	0	109.7	N74 G75 K76	V69-N74 WeakPolarHBondContact CG1-O 3.4Å; V69-G75 CarbonylContact C-O 3.57Å; V69-G75 WeakPolarHBondContact CA-O 3.4Å; V69-K76 HydrophobicContact CG2-CG 3.85Å
70	C	97.7	Very high	95.1	Very high	0 Å²	0	88.2 Å²	88.2	0%	0	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-77	134.3	174.8	175.7	0	0	0	0	110.6	K72 C73 N74 G75 V78 C86	C70-K72 PolarHBondContact O-N 3.23Å; C70-K72 PolarHBondContact SG-N 2.93Å; C70-K72 VanDerWaalsContact SG-N 3.37Å; C70-C73 WeakPolarHBondContact CB-SG 3.21Å; C70-C73 VanDerWaalsContact SG-SG 3.6Å; C70-N74 WeakPolarHBondContact O-CA 3.18Å; C70-N74 PolarHBondContact O-N 3.3Å; C70-N74 PolarHBondContact O-OD1 3.05Å; C70-G75 PolarHBondContact N-O 3.14Å; C70-V78 HydrophobicContact CB-CG2 3.81Å; C70-C86 HydrophobicContact CB-CB 4.18Å; C70-C86 PolarHBondContact SG-N 3.41Å; C70-C86 VanDerWaalsContact SG-SG 3.67Å
71	V	96.1	Very high	95	Very high	98 Å²	98	83.1 Å²	83.1	59%	0.594	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.6	178.5	176.3	0	0	0	0	113.2	T84	V71-T84 WeakPolarHBondContact CG2-O 3.33Å; V71-T84 PolarHBondContact N-O 2.91Å
72	K	95.9	Very high	95	Very high	102 Å²	102	84.1 Å²	84.1	44%	0.443	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-51.2	-176.2	-64.1	-62.2	-175.2	179.2	0	113.2	C70 I85 C89 L93	C70-K72 PolarHBondContact O-N 3.23Å; C70-K72 PolarHBondContact SG-N 2.93Å; C70-K72 VanDerWaalsContact SG-N 3.37Å; K72-I85 HydrophobicContact CB-CG2 4.31Å; K72-I85 HydrophobicContact CG-CD1 4.18Å; K72-I85 HydrophobicContact CG-CG1 4.15Å; K72-I85 HydrophobicContact CG-CG2 3.78Å; K72-C89 HydrophobicContact CB-CB 3.87Å; K72-C89 HydrophobicContact CG-CB 4.33Å; K72-L93 HydrophobicContact CD-CD1 4.08Å; K72-L93 HydrophobicContact CG-CD1 4.17Å
73	C	95.6	Very high	95.1	Very high	65 Å²	65	78.2 Å²	78.2	44%	0.439	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-6	-179.8	64.2	0	0	0	0	114	C70 G75	C70-C73 WeakPolarHBondContact CB-SG 3.21Å; C70-C73 VanDerWaalsContact SG-SG 3.6Å; C73-G75 PolarHBondContact O-N 3.33Å
74	N	95.4	Very high	95.3	Very high	123 Å²	123	75.5 Å²	75.5	66%	0.658	40%	0.403	S	S	*	.			trans	56.7	9.6	-176.6	-60	-24.9	0	0	0	115.3	V69 C70	V69-N74 WeakPolarHBondContact CG1-O 3.4Å; C70-N74 WeakPolarHBondContact O-CA 3.18Å; C70-N74 PolarHBondContact O-N 3.3Å; C70-N74 PolarHBondContact O-OD1 3.05Å
75	G	95.4	Very high	95.4	Very high	26 Å²	26	73.6 Å²	73.6	27%	0.268	39%	0.393	S	S	.	.	S	Bend	trans	-84.4	155.3	171.6	0	0	0	0	0	112.3	V69 C70 C73 T77	V69-G75 CarbonylContact C-O 3.57Å; V69-G75 WeakPolarHBondContact CA-O 3.4Å; C70-G75 PolarHBondContact N-O 3.14Å; C73-G75 PolarHBondContact O-N 3.33Å; G75-T77 PolarHBondContact O-N 2.94Å; G75-T77 PolarHBondContact O-OG1 3Å
76	K	95.8	Very high	95.5	Very high	158 Å²	158	69 Å²	69	69%	0.687	36%	0.355	S	S	*	.	S	Bend	trans	-76.9	56.2	173	-67.3	179.6	-178.5	175.5	0	111.9	R68 V69	R68-K76 CarbonylContact O-C 3.56Å; R68-K76 WeakPolarHBondContact O-CA 3.35Å; V69-K76 HydrophobicContact CG2-CG 3.85Å
77	T	96.2	Very high	95.4	Very high	53 Å²	53	65.4 Å²	65.4	33%	0.325	34%	0.338	S	S	.	.			trans	-104.6	-6	-170.9	51.3	0	0	0	0	113.6	R68 G75 K79 C86	R68-T77 PolarHBondContact O-N 3.13Å; G75-T77 PolarHBondContact O-N 2.94Å; G75-T77 PolarHBondContact O-OG1 3Å; T77-K79 PolarHBondContact O-N 3.32Å; T77-K79 VanDerWaalsContact O-N 3.14Å; T77-C86 WeakPolarHBondContact OG1-CB 3.26Å
78	V	95.8	Very high	95.3	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.006	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-80.6	100.6	-178.6	-175.8	0	0	0	0	110	P67 R68 C70 H83 C86	P67-V78 CarbonylContact C-O 3.56Å; P67-V78 VanDerWaalsContact CA-O 3.26Å; P67-V78 WeakPolarHBondContact CA-O 3.45Å; R68-V78 HydrophobicContact CB-CB 4.06Å; R68-V78 HydrophobicContact CB-CG1 4.47Å; R68-V78 PolarHBondContact N-O 2.98Å; R68-V78 WeakPolarHBondContact O-CB 3.3Å; R68-V78 PolarHBondContact O-N 2.77Å; C70-V78 HydrophobicContact CB-CG2 3.81Å; V78-H83 HydrophobicContact CG1-CB 3.65Å; V78-H83 WeakPolarHBondContact CG1-O 3.36Å; V78-C86 HydrophobicContact CG2-CB 4.29Å
79	K	93.5	Very high	95.3	Very high	182 Å²	182	60.9 Å²	60.9	79%	0.791	32%	0.323	S	S	*	.			trans	-88.8	-32.8	179.8	-60.2	-180	-176	178.9	0	113.3	T77	T77-K79 PolarHBondContact O-N 3.32Å; T77-K79 VanDerWaalsContact O-N 3.14Å
80	Q	92.8	Very high	95.2	Very high	72 Å²	72	57.1 Å²	57.1	34%	0.336	30%	0.3	S	S	.	.	S	Bend	trans	-83.6	142.9	-176.8	-70.8	-170.1	-24.4	0	0	112.3	L64 H83	L64-Q80 VanDerWaalsContact CD1-O 3.31Å; L64-Q80 WeakPolarHBondContact CD1-O 3.41Å; Q80-H83 PolarHBondContact OE1-CE1 3.19Å; Q80-H83 PolarHBondContact OE1-ND1 3Å
81	A	94.3	Very high	94.9	Very high	5 Å²	5	63.6 Å²	63.6	4%	0.041	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	148.7	-179.6	0	0	0	0	0	111.7	Y61 H62 L64 H83	Y61-A81 HydrophobicContact CE1-CB 4.27Å; Y61-A81 HydrophobicContact CE2-CB 4.42Å; Y61-A81 WeakPolarHBondContact OH-CB 3.44Å; H62-A81 VanDerWaalsContact O-CB 3.27Å; H62-A81 WeakPolarHBondContact O-CB 3.31Å; L64-A81 HydrophobicContact CG-CB 4.15Å; A81-H83 PolarHBondContact O-CD2 3.29Å; A81-H83 PolarHBondContact O-N 2.84Å; A81-H83 VanDerWaalsContact O-N 3.13Å
82	Y	94.9	Very high	94.8	Very high	54 Å²	54	62.7 Å²	62.7	21%	0.212	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	4.3	-177.1	-52.7	-75.4	0	0	0	116	V52 K55 K60 Y61 H62 K98	V52-Y82 HydrophobicContact CG1-CD2 4.38Å; K55-Y82 HydrophobicContact CD-CD1 4.2Å; K55-Y82 HydrophobicContact CD-CD2 4.26Å; K55-Y82 HydrophobicContact CD-CE1 3.77Å; K55-Y82 HydrophobicContact CD-CE2 3.81Å; K55-Y82 HydrophobicContact CD-CG 4.43Å; K55-Y82 VanDerWaalsContact NZ-CE1 3.34Å; K60-Y82 PolarHBondContact O-OH 3.24Å; Y61-Y82 HydrophobicContact CD2-CD2 4.08Å; Y61-Y82 AromaticContact CD2-CE2 3.55Å; Y61-Y82 HydrophobicContact CD2-CE2 3.55Å; Y61-Y82 AromaticContact CE2-CD2 3.77Å; Y61-Y82 HydrophobicContact CE2-CD2 3.77Å; Y61-Y82 AromaticContact CE2-CE2 3.66Å; Y61-Y82 HydrophobicContact CE2-CE2 3.66Å; Y61-Y82 HydrophobicContact CG-CE2 4.1Å; H62-Y82 PolarHBondContact N-OH 3.45Å; Y82-K98 VanDerWaalsContact O-CG 3.3Å; Y82-K98 WeakPolarHBondContact O-CG 3.2Å
83	H	95.2	Very high	94.6	Very high	12 Å²	12	62.4 Å²	62.4	6%	0.056	33%	0.334	C	S	.	.			trans	-85	144.9	171.8	-68.7	-158.3	0	0	0	109.4	V78 Q80 A81 S97	V78-H83 HydrophobicContact CG1-CB 3.65Å; V78-H83 WeakPolarHBondContact CG1-O 3.36Å; Q80-H83 PolarHBondContact OE1-CE1 3.19Å; Q80-H83 PolarHBondContact OE1-ND1 3Å; A81-H83 PolarHBondContact O-CD2 3.29Å; A81-H83 PolarHBondContact O-N 2.84Å; A81-H83 VanDerWaalsContact O-N 3.13Å; H83-S97 WeakPolarHBondContact ND1-CB 3.33Å
84	T	96.1	Very high	94.4	Very high	59 Å²	59	66.3 Å²	66.3	36%	0.362	34%	0.344	S	S	.	.	S	Bend	trans	-111.1	-21.3	174.1	52.4	0	0	0	0	111.7	V71 S97 K98	V71-T84 WeakPolarHBondContact CG2-O 3.33Å; V71-T84 PolarHBondContact N-O 2.91Å; T84-S97 PolarHBondContact N-O 3.45Å; T84-S97 PolarHBondContact OG1-O 3.25Å; T84-S97 VanDerWaalsContact OG1-O 3.11Å; T84-K98 PolarHBondContact OG1-O 3.35Å; T84-K98 VanDerWaalsContact OG1-O 3.11Å
85	I	96.3	Very high	94.4	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	32%	0.318	C	S	.	.	S	Bend	trans	-118.5	142.8	179.2	-54.4	171.2	0	0	0	107	K72 C89 I95 S97	K72-I85 HydrophobicContact CB-CG2 4.31Å; K72-I85 HydrophobicContact CG-CD1 4.18Å; K72-I85 HydrophobicContact CG-CG1 4.15Å; K72-I85 HydrophobicContact CG-CG2 3.78Å; I85-C89 HydrophobicContact CG2-CB 3.5Å; I85-C89 VanDerWaalsContact CG2-CB 3.5Å; I85-I95 HydrophobicContact CD1-CG2 4.19Å; I85-S97 PolarHBondContact N-O 3.12Å
86	C	95.5	Very high	94.4	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.027	31%	0.305	C	S	.	.			trans	-73.1	162.2	176	68	0	0	0	0	111.5	C70 T77 V78 D88 C89 S90	C70-C86 HydrophobicContact CB-CB 4.18Å; C70-C86 PolarHBondContact SG-N 3.41Å; C70-C86 VanDerWaalsContact SG-SG 3.67Å; T77-C86 WeakPolarHBondContact OG1-CB 3.26Å; V78-C86 HydrophobicContact CG2-CB 4.29Å; C86-D88 VanDerWaalsContact C-N 3.27Å; C86-D88 PolarHBondContact O-N 3.21Å; C86-C89 PolarHBondContact O-N 2.78Å; C86-C89 PolarHBondContact SG-N 3.24Å; C86-C89 PolarHBondContact SG-SG 3.05Å; C86-S90 WeakPolarHBondContact O-CB 3.4Å; C86-S90 PolarHBondContact O-N 3.2Å
87	T	93	Very high	94.3	Very high	51 Å²	51	52.8 Å²	52.8	31%	0.313	27%	0.273	S	S	.	.	H	α-helix	trans	-55.1	-43.8	179.2	45.1	0	0	0	0	111.7	F43 S90 F91	F43-T87 HydrophobicContact CD2-CG2 4.08Å; F43-T87 HydrophobicContact CE2-CG2 4.09Å; T87-S90 PolarHBondContact O-N 3.08Å; T87-F91 WeakPolarHBondContact O-CB 3.38Å; T87-F91 PolarHBondContact O-N 3.47Å
88	D	94	Very high	94.3	Very high	107 Å²	107	53.2 Å²	53.2	57%	0.572	27%	0.27	S	S	*	.	H	α-helix	trans	-67.4	-44.6	-174.9	-41.2	-34.7	0	0	0	111.2	C86 F91 A92	C86-D88 VanDerWaalsContact C-N 3.27Å; C86-D88 PolarHBondContact O-N 3.21Å; D88-F91 PolarHBondContact O-N 2.75Å; D88-A92 WeakPolarHBondContact O-CB 3.37Å; D88-A92 PolarHBondContact O-N 2.76Å
89	C	94.8	Very high	94.2	Very high	23 Å²	23	55.7 Å²	55.7	16%	0.155	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-37.1	175.7	-70.2	0	0	0	0	112.2	K72 I85 C86 L93	K72-C89 HydrophobicContact CB-CB 3.87Å; K72-C89 HydrophobicContact CG-CB 4.33Å; I85-C89 HydrophobicContact CG2-CB 3.5Å; I85-C89 VanDerWaalsContact CG2-CB 3.5Å; C86-C89 PolarHBondContact O-N 2.78Å; C86-C89 PolarHBondContact SG-N 3.24Å; C86-C89 PolarHBondContact SG-SG 3.05Å; C89-L93 WeakPolarHBondContact O-CB 3.35Å; C89-L93 WeakPolarHBondContact O-CG 3.44Å; C89-L93 PolarHBondContact O-N 3.3Å; C89-L93 VanDerWaalsContact O-N 3.08Å
90	S	94.5	Very high	94.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-44	175.4	173	0	0	0	0	111.2	C86 T87 K94 I95 S97 F108	C86-S90 WeakPolarHBondContact O-CB 3.4Å; C86-S90 PolarHBondContact O-N 3.2Å; T87-S90 PolarHBondContact O-N 3.08Å; S90-K94 WeakPolarHBondContact O-CA 3.5Å; S90-K94 PolarHBondContact O-N 3.01Å; S90-I95 WeakPolarHBondContact CB-O 3.27Å; S90-I95 PolarHBondContact O-N 3.35Å; S90-I95 VanDerWaalsContact O-N 3.1Å; S90-I95 PolarHBondContact OG-O 3.45Å; S90-S97 WeakPolarHBondContact CB-OG 3.41Å; S90-S97 PolarHBondContact OG-OG 3.13Å; S90-F108 WeakPolarHBondContact O-CE1 3.39Å
91	F	92.3	Very high	94.2	Very high	137 Å²	137	50.2 Å²	50.2	60%	0.601	27%	0.271	S	S	*	.	H	α-helix	trans	-66.4	-48.4	178.1	-172.9	-101.5	0	0	0	112.2	F43 T87 D88 L93 K94 F108	F43-F91 HydrophobicContact CE1-CB 4.18Å; F43-F91 HydrophobicContact CE1-CD2 4.09Å; T87-F91 WeakPolarHBondContact O-CB 3.38Å; T87-F91 PolarHBondContact O-N 3.47Å; D88-F91 PolarHBondContact O-N 2.75Å; F91-L93 PolarHBondContact O-N 2.92Å; F91-K94 PolarHBondContact O-N 2.81Å; F91-F108 HydrophobicContact CD2-CD1 4.11Å
92	A	93	Very high	93.8	Very high	78 Å²	78	53.7 Å²	53.7	65%	0.645	30%	0.295	S	S	*	.	H	α-helix	trans	-62.7	-43	-179.3	0	0	0	0	0	112.7	D88	D88-A92 WeakPolarHBondContact O-CB 3.37Å; D88-A92 PolarHBondContact O-N 2.76Å
93	L	92.6	Very high	92.9	Very high	96 Å²	96	56.6 Å²	56.6	50%	0.503	31%	0.314	S	S	.	.	H	α-helix	trans	-90.9	-9.1	-177.7	-60.3	175.2	0	0	0	113.4	K72 C89 F91 I95	K72-L93 HydrophobicContact CD-CD1 4.08Å; K72-L93 HydrophobicContact CG-CD1 4.17Å; C89-L93 WeakPolarHBondContact O-CB 3.35Å; C89-L93 WeakPolarHBondContact O-CG 3.44Å; C89-L93 PolarHBondContact O-N 3.3Å; C89-L93 VanDerWaalsContact O-N 3.08Å; F91-L93 PolarHBondContact O-N 2.92Å; L93-I95 HydrophobicContact CB-CB 4.47Å; L93-I95 HydrophobicContact CB-CD1 3.69Å; L93-I95 HydrophobicContact CB-CG1 3.95Å; L93-I95 HydrophobicContact CD1-CD1 4.22Å; L93-I95 WeakPolarHBondContact O-CG1 3.47Å
94	K	92	Very high	91.9	Very high	147 Å²	147	57.9 Å²	57.9	64%	0.639	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	50	-172.6	-59.4	179.3	-179	176.7	0	113.2	S90 F91 I106 F108	S90-K94 WeakPolarHBondContact O-CA 3.5Å; S90-K94 PolarHBondContact O-N 3.01Å; F91-K94 PolarHBondContact O-N 2.81Å; K94-I106 VanDerWaalsContact O-CD1 3.29Å; K94-I106 WeakPolarHBondContact O-CD1 3.28Å; K94-F108 VanDerWaalsContact CA-CZ 3.41Å; K94-F108 HydrophobicContact CB-CE2 4.21Å; K94-F108 HydrophobicContact CB-CZ 3.88Å; K94-F108 HydrophobicContact CG-CZ 4.36Å
95	I	93.9	Very high	91.2	Very high	24 Å²	24	60 Å²	60	12%	0.123	35%	0.346	C	S	.	.			trans	-121.6	147.1	-176.4	-66.8	173.5	0	0	0	110.4	I85 S90 L93 S97 G100	I85-I95 HydrophobicContact CD1-CG2 4.19Å; S90-I95 WeakPolarHBondContact CB-O 3.27Å; S90-I95 PolarHBondContact O-N 3.35Å; S90-I95 VanDerWaalsContact O-N 3.1Å; S90-I95 PolarHBondContact OG-O 3.45Å; L93-I95 HydrophobicContact CB-CB 4.47Å; L93-I95 HydrophobicContact CB-CD1 3.69Å; L93-I95 HydrophobicContact CB-CG1 3.95Å; L93-I95 HydrophobicContact CD1-CD1 4.22Å; L93-I95 WeakPolarHBondContact O-CG1 3.47Å; I95-S97 PolarHBondContact O-N 3.45Å; I95-G100 WeakPolarHBondContact CG2-O 3.39Å
96	C	95.4	Very high	90.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.35	C	S	.	.			trans	-60.5	128	174.2	173.6	0	0	0	0	112.4	C45 K98 C99 G100 K101 I106	C45-C96 HydrophobicContact CB-CB 4.17Å; C45-C96 PolarHBondContact N-SG 3.17Å; C45-C96 VanDerWaalsContact N-SG 3.36Å; C96-K98 PolarHBondContact O-N 3.33Å; C96-K98 VanDerWaalsContact O-N 3.1Å; C96-C99 VanDerWaalsContact CB-SG 3.53Å; C96-C99 PolarHBondContact SG-SG 2.9Å; C96-G100 WeakPolarHBondContact O-CA 3.32Å; C96-G100 PolarHBondContact O-N 3.49Å; C96-K101 WeakPolarHBondContact CB-O 3.27Å; C96-K101 PolarHBondContact N-O 3.39Å; C96-I106 HydrophobicContact CB-CD1 4.46Å; C96-I106 HydrophobicContact CB-CG1 4.38Å
97	S	95	Very high	89.8	Confident	0 Å²	0	64 Å²	64	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.1	-177	-68.9	0	0	0	0	114.8	F43 H83 T84 I85 S90 I95	F43-S97 WeakPolarHBondContact CB-OG 3.41Å; F43-S97 WeakPolarHBondContact O-CB 3.17Å; F43-S97 PolarHBondContact O-N 2.72Å; F43-S97 PolarHBondContact O-OG 3.28Å; H83-S97 WeakPolarHBondContact ND1-CB 3.33Å; T84-S97 PolarHBondContact N-O 3.45Å; T84-S97 PolarHBondContact OG1-O 3.25Å; T84-S97 VanDerWaalsContact OG1-O 3.11Å; I85-S97 PolarHBondContact N-O 3.12Å; S90-S97 WeakPolarHBondContact CB-OG 3.41Å; S90-S97 PolarHBondContact OG-OG 3.13Å; I95-S97 PolarHBondContact O-N 3.45Å
98	K	94.7	Very high	89	Confident	61 Å²	61	64.4 Å²	64.4	27%	0.265	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-46.4	-177.4	178.9	169.9	-173.1	-62.5	0	114.4	L44 C48 V52 Y82 T84 C96	L44-K98 HydrophobicContact CD2-CB 3.51Å; C48-K98 HydrophobicContact CB-CB 4.24Å; C48-K98 HydrophobicContact CB-CD 4.06Å; V52-K98 HydrophobicContact CG2-CD 4.22Å; Y82-K98 VanDerWaalsContact O-CG 3.3Å; Y82-K98 WeakPolarHBondContact O-CG 3.2Å; T84-K98 PolarHBondContact OG1-O 3.35Å; T84-K98 VanDerWaalsContact OG1-O 3.11Å; C96-K98 PolarHBondContact O-N 3.33Å; C96-K98 VanDerWaalsContact O-N 3.1Å
99	C	94.7	Very high	87.7	Confident	53 Å²	53	60.9 Å²	60.9	36%	0.358	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-12.3	-175.3	64.3	0	0	0	0	113.9	C96 K101	C96-C99 VanDerWaalsContact CB-SG 3.53Å; C96-C99 PolarHBondContact SG-SG 2.9Å; C99-K101 PolarHBondContact O-N 3.32Å
100	G	92.8	Very high	85.9	Confident	32 Å²	32	63.9 Å²	63.9	33%	0.33	38%	0.382	S	S	.	.			trans	72.2	11.2	179.2	0	0	0	0	0	114.8	I95 C96	I95-G100 WeakPolarHBondContact CG2-O 3.39Å; C96-G100 WeakPolarHBondContact O-CA 3.32Å; C96-G100 PolarHBondContact O-N 3.49Å
101	K	92.4	Very high	84	Confident	108 Å²	108	69.8 Å²	69.8	47%	0.47	42%	0.418	S	S	.	.			trans	-95.2	142.5	176.7	-60.4	-174.7	172.5	-153.6	0	111.3	C96 C99	C96-K101 WeakPolarHBondContact CB-O 3.27Å; C96-K101 PolarHBondContact N-O 3.39Å; C99-K101 PolarHBondContact O-N 3.32Å
102	S	86.8	Confident	82.1	Confident	78 Å²	78	68.1 Å²	68.1	55%	0.545	41%	0.413	S	S	.	.			trans	-93.9	-7.2	172.3	47.1	0	0	0	0	112.5	G104	S102-G104 PolarHBondContact O-N 3.33Å
103	D	74.8	Confident	80.5	Confident	114 Å²	114	69 Å²	69	61%	0.61	41%	0.406	S	S	*	.	S	Bend	trans	-76.9	92.6	-176.6	10.8	-44.9	0	0	0	110.4
104	G	74.7	Confident	79.3	Confident	40 Å²	40	72 Å²	72	41%	0.412	42%	0.418	S	S	.	.	S	Bend	trans	137.2	168.5	169.6	0	0	0	0	0	113.7	S102 I106	S102-G104 PolarHBondContact O-N 3.33Å; G104-I106 PolarHBondContact O-N 3.23Å
105	P	82.8	Confident	78.3	Confident	103 Å²	103	71.8 Å²	71.8	67%	0.669	42%	0.419	S	S	*	.			trans	-65.7	110.3	173.8	27.1	-31.8	0	0	0	108.7	P46	P46-P105 WeakPolarHBondContact CD-O 3.36Å; P46-P105 HydrophobicContact CG-CG 4Å
106	I	84.4	Confident	77.5	Confident	22 Å²	22	73.9 Å²	73.9	11%	0.113	43%	0.43	C	S	.	.			trans	-96	129.8	173.3	-61.1	153.5	0	0	0	107	C45 K94 C96 G104 F108	C45-I106 HydrophobicContact CB-CG1 4.48Å; K94-I106 VanDerWaalsContact O-CD1 3.29Å; K94-I106 WeakPolarHBondContact O-CD1 3.28Å; C96-I106 HydrophobicContact CB-CD1 4.46Å; C96-I106 HydrophobicContact CB-CG1 4.38Å; G104-I106 PolarHBondContact O-N 3.23Å; I106-F108 VanDerWaalsContact C-N 3.3Å; I106-F108 HydrophobicContact CB-CD2 4.23Å; I106-F108 HydrophobicContact CB-CE2 3.51Å; I106-F108 HydrophobicContact CB-CZ 3.67Å; I106-F108 HydrophobicContact CD1-CE2 4.31Å; I106-F108 HydrophobicContact CD1-CZ 3.96Å; I106-F108 HydrophobicContact CG1-CZ 4.45Å; I106-F108 HydrophobicContact CG2-CD1 4.42Å; I106-F108 HydrophobicContact CG2-CD2 4.22Å; I106-F108 HydrophobicContact CG2-CE1 3.85Å; I106-F108 HydrophobicContact CG2-CE2 3.68Å; I106-F108 HydrophobicContact CG2-CZ 3.42Å; I106-F108 VanDerWaalsContact CG2-CZ 3.42Å; I106-F108 WeakPolarHBondContact O-CD2 3.42Å; I106-F108 PolarHBondContact O-N 3.17Å
107	T	77.7	Confident	76.7	Confident	71 Å²	71	77.6 Å²	77.6	44%	0.436	45%	0.45	S	S	.	.			trans	-76	83.3	175.2	48.4	0	0	0	0	109.2	F43 L44 G109	F43-T107 WeakPolarHBondContact CA-O 3.48Å; F43-T107 PolarHBondContact N-O 2.9Å; L44-T107 PolarHBondContact O-N 3.24Å; L44-T107 PolarHBondContact O-OG1 3.35Å; T107-G109 PolarHBondContact O-N 3.32Å
108	F	76.8	Confident	75.9	Confident	58 Å²	58	82.2 Å²	82.2	25%	0.254	47%	0.474	S	S	.	.			trans	-67.8	118.7	161.5	-59.6	-76.2	0	0	0	105.6	F43 S90 F91 K94 I106 A110	F43-F108 AromaticContact CD1-CD1 3.53Å; F43-F108 HydrophobicContact CD1-CD1 3.53Å; F43-F108 HydrophobicContact CD1-CE1 4.03Å; F43-F108 HydrophobicContact CE1-CB 4.5Å; F43-F108 AromaticContact CE1-CD1 3.83Å; F43-F108 HydrophobicContact CE1-CD1 3.83Å; S90-F108 WeakPolarHBondContact O-CE1 3.39Å; F91-F108 HydrophobicContact CD2-CD1 4.11Å; K94-F108 VanDerWaalsContact CA-CZ 3.41Å; K94-F108 HydrophobicContact CB-CE2 4.21Å; K94-F108 HydrophobicContact CB-CZ 3.88Å; K94-F108 HydrophobicContact CG-CZ 4.36Å; I106-F108 VanDerWaalsContact C-N 3.3Å; I106-F108 HydrophobicContact CB-CD2 4.23Å; I106-F108 HydrophobicContact CB-CE2 3.51Å; I106-F108 HydrophobicContact CB-CZ 3.67Å; I106-F108 HydrophobicContact CD1-CE2 4.31Å; I106-F108 HydrophobicContact CD1-CZ 3.96Å; I106-F108 HydrophobicContact CG1-CZ 4.45Å; I106-F108 HydrophobicContact CG2-CD1 4.42Å; I106-F108 HydrophobicContact CG2-CD2 4.22Å; I106-F108 HydrophobicContact CG2-CE1 3.85Å; I106-F108 HydrophobicContact CG2-CE2 3.68Å; I106-F108 HydrophobicContact CG2-CZ 3.42Å; I106-F108 VanDerWaalsContact CG2-CZ 3.42Å; I106-F108 WeakPolarHBondContact O-CD2 3.42Å; I106-F108 PolarHBondContact O-N 3.17Å; F108-A110 PolarHBondContact O-N 3.36Å
109	G	66.2	Low	75.5	Confident	33 Å²	33	84.5 Å²	84.5	34%	0.34	49%	0.486	S	S	.	.			trans	-37.4	115.9	-171.9	0	0	0	0	0	109.1	T107 T111	T107-G109 PolarHBondContact O-N 3.32Å; G109-T111 PolarHBondContact O-N 2.97Å
110	A	56.9	Low	75	Confident	86 Å²	86	88 Å²	88	71%	0.711	50%	0.495	S	S	*	.			trans	-54.5	120.5	-178.4	0	0	0	0	0	105.4	F108 E112	F108-A110 PolarHBondContact O-N 3.36Å; A110-E112 PolarHBondContact O-N 3.03Å
111	T	53.5	Low	74.6	Confident	124 Å²	124	90.8 Å²	90.8	76%	0.761	50%	0.498	S	S	*	.			trans	-55.3	98	151.3	48.3	0	0	0	0	102.8	G109 N113	G109-T111 PolarHBondContact O-N 2.97Å; T111-N113 PolarHBondContact O-N 3.44Å
112	E	54.2	Low	74.2	Confident	103 Å²	103	88.5 Å²	88.5	48%	0.481	49%	0.493	S	S	.	.			trans	-46.3	121.4	166.4	-70.5	-168	-172	0	0	103.8	A110 Q114 I117 K120	A110-E112 PolarHBondContact O-N 3.03Å; E112-Q114 PolarHBondContact O-N 2.82Å; E112-I117 HydrophobicContact CB-CD1 3.68Å; E112-I117 HydrophobicContact CB-CG1 3.67Å; E112-K120 IonicContact OE2-NZ 3.35Å; E112-K120 PolarHBondContact OE2-NZ 3.37Å
113	N	58.1	Low	74.2	Confident	96 Å²	96	88.4 Å²	88.4	51%	0.513	49%	0.487	S	S	.	.			trans	-49.7	126.9	-173.4	-69.5	-46	0	0	0	105.3	T111 E115 D116 I117	T111-N113 PolarHBondContact O-N 3.44Å; N113-E115 HydrophobicContact CB-CB 4.44Å; N113-E115 CarbonylContact O-C 3.51Å; N113-E115 PolarHBondContact O-N 3.46Å; N113-D116 HydrophobicContact CB-CB 4.4Å; N113-D116 PolarHBondContact ND2-OD2 3.02Å; N113-D116 WeakPolarHBondContact O-CA 3.4Å; N113-D116 PolarHBondContact O-N 3.49Å; N113-I117 PolarHBondContact O-N 2.68Å; N113-I117 VanDerWaalsContact O-N 3.13Å
114	Q	66.6	Low	74.7	Confident	160 Å²	160	85.7 Å²	85.7	75%	0.748	48%	0.48	S	S	*	.	H	α-helix	trans	-51.9	-29.9	-178	-79.2	-178.9	-24.3	0	0	110.2	E112 I117 N118	E112-Q114 PolarHBondContact O-N 2.82Å; Q114-I117 PolarHBondContact O-N 3.16Å; Q114-N118 WeakPolarHBondContact O-CB 3.17Å; Q114-N118 PolarHBondContact O-N 2.98Å; Q114-N118 PolarHBondContact O-ND2 3.08Å
115	E	72.3	Confident	75.2	Confident	141 Å²	141	84.2 Å²	84.2	66%	0.659	46%	0.463	S	S	*	.	H	α-helix	trans	-57.6	-48.1	169.6	-60.3	-177.6	175.3	0	0	114.2	N113 N118 Q119	N113-E115 HydrophobicContact CB-CB 4.44Å; N113-E115 CarbonylContact O-C 3.51Å; N113-E115 PolarHBondContact O-N 3.46Å; E115-N118 PolarHBondContact O-N 3.38Å; E115-Q119 WeakPolarHBondContact O-CB 3.45Å; E115-Q119 VanDerWaalsContact O-CG 3.27Å; E115-Q119 WeakPolarHBondContact O-CG 3.42Å; E115-Q119 PolarHBondContact O-N 3.41Å
116	D	76.6	Confident	75.3	Confident	68 Å²	68	85.8 Å²	85.8	36%	0.364	46%	0.459	S	S	.	.	H	α-helix	trans	-66.3	-39.7	178.1	-67.5	-33.2	0	0	0	111.3	N113 Q119 K120	N113-D116 HydrophobicContact CB-CB 4.4Å; N113-D116 PolarHBondContact ND2-OD2 3.02Å; N113-D116 WeakPolarHBondContact O-CA 3.4Å; N113-D116 PolarHBondContact O-N 3.49Å; D116-Q119 PolarHBondContact O-N 3.27Å; D116-K120 WeakPolarHBondContact O-CB 3.25Å; D116-K120 VanDerWaalsContact O-CG 3.28Å; D116-K120 WeakPolarHBondContact O-CG 3.41Å; D116-K120 PolarHBondContact O-N 2.91Å
117	I	77.9	Confident	75.1	Confident	79 Å²	79	91.9 Å²	91.9	41%	0.405	49%	0.492	S	S	.	.	H	α-helix	trans	-63.3	-47.8	173.8	-63.4	167.7	0	0	0	109.8	E112 N113 Q114 Q119 K120 F121	E112-I117 HydrophobicContact CB-CD1 3.68Å; E112-I117 HydrophobicContact CB-CG1 3.67Å; N113-I117 PolarHBondContact O-N 2.68Å; N113-I117 VanDerWaalsContact O-N 3.13Å; Q114-I117 PolarHBondContact O-N 3.16Å; I117-Q119 VanDerWaalsContact C-N 3.32Å; I117-Q119 PolarHBondContact O-N 3.27Å; I117-K120 PolarHBondContact O-N 3.38Å; I117-F121 WeakPolarHBondContact O-CB 3.32Å; I117-F121 PolarHBondContact O-N 3.48Å
118	N	79.2	Confident	75.5	Confident	96 Å²	96	90.7 Å²	90.7	51%	0.513	48%	0.484	S	S	.	.	H	α-helix	trans	-62	-40.9	179.1	-73.2	-27.1	0	0	0	111	Q114 E115 F121 T122	Q114-N118 WeakPolarHBondContact O-CB 3.17Å; Q114-N118 PolarHBondContact O-N 2.98Å; Q114-N118 PolarHBondContact O-ND2 3.08Å; E115-N118 PolarHBondContact O-N 3.38Å; N118-F121 PolarHBondContact O-N 3.02Å; N118-T122 VanDerWaalsContact O-CG2 3.25Å; N118-T122 WeakPolarHBondContact O-CG2 3.36Å; N118-T122 PolarHBondContact O-N 3.15Å; N118-T122 PolarHBondContact O-OG1 2.84Å
119	Q	86.2	Confident	75.9	Confident	109 Å²	109	93 Å²	93	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-61.8	-52.4	175.9	-78.9	178.6	20.5	0	0	111	E115 D116 I117 F121 T122 D123	E115-Q119 WeakPolarHBondContact O-CB 3.45Å; E115-Q119 VanDerWaalsContact O-CG 3.27Å; E115-Q119 WeakPolarHBondContact O-CG 3.42Å; E115-Q119 PolarHBondContact O-N 3.41Å; D116-Q119 PolarHBondContact O-N 3.27Å; I117-Q119 VanDerWaalsContact C-N 3.32Å; I117-Q119 PolarHBondContact O-N 3.27Å; Q119-F121 PolarHBondContact O-N 3.09Å; Q119-T122 WeakPolarHBondContact CA-OG1 3.39Å; Q119-T122 PolarHBondContact O-N 2.88Å; Q119-T122 PolarHBondContact O-OG1 3.48Å; Q119-D123 PolarHBondContact O-N 3.13Å
120	K	84.3	Confident	76.8	Confident	127 Å²	127	96.4 Å²	96.4	55%	0.552	50%	0.499	S	S	*	.	H	α-helix	trans	-54.9	-41.6	175.6	-72.1	172.4	-172.9	170.4	0	111.7	E112 D116 I117 D123 A124	E112-K120 IonicContact OE2-NZ 3.35Å; E112-K120 PolarHBondContact OE2-NZ 3.37Å; D116-K120 WeakPolarHBondContact O-CB 3.25Å; D116-K120 VanDerWaalsContact O-CG 3.28Å; D116-K120 WeakPolarHBondContact O-CG 3.41Å; D116-K120 PolarHBondContact O-N 2.91Å; I117-K120 PolarHBondContact O-N 3.38Å; K120-D123 PolarHBondContact O-N 2.95Å; K120-A124 WeakPolarHBondContact O-CB 3.1Å; K120-A124 PolarHBondContact O-N 3.16Å
121	F	83.4	Confident	78.1	Confident	90 Å²	90	101.3 Å²	101.3	40%	0.395	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-45.4	175.7	-176.7	-102.8	0	0	0	111.9	I117 N118 Q119 D123 A124 L125 T140	I117-F121 WeakPolarHBondContact O-CB 3.32Å; I117-F121 PolarHBondContact O-N 3.48Å; N118-F121 PolarHBondContact O-N 3.02Å; Q119-F121 PolarHBondContact O-N 3.09Å; F121-D123 VanDerWaalsContact C-N 3.33Å; F121-D123 PolarHBondContact O-N 3.42Å; F121-A124 PolarHBondContact O-N 3.17Å; F121-L125 HydrophobicContact CD1-CD1 3.96Å; F121-L125 HydrophobicContact CE1-CD1 3.51Å; F121-L125 HydrophobicContact CE1-CG 4.22Å; F121-L125 HydrophobicContact CZ-CD1 4.01Å; F121-L125 HydrophobicContact CZ-CD2 4.45Å; F121-L125 HydrophobicContact CZ-CG 4.36Å; F121-L125 WeakPolarHBondContact O-CG 3.23Å; F121-L125 PolarHBondContact O-N 3.5Å; F121-T140 HydrophobicContact CZ-CG2 4.38Å
122	T	85.6	Confident	79.4	Confident	60 Å²	60	96.5 Å²	96.5	37%	0.368	47%	0.468	S	S	.	.	H	α-helix	trans	-64.4	-36.4	177.6	60.8	0	0	0	0	113	N118 Q119 L125 K126	N118-T122 VanDerWaalsContact O-CG2 3.25Å; N118-T122 WeakPolarHBondContact O-CG2 3.36Å; N118-T122 PolarHBondContact O-N 3.15Å; N118-T122 PolarHBondContact O-OG1 2.84Å; Q119-T122 WeakPolarHBondContact CA-OG1 3.39Å; Q119-T122 PolarHBondContact O-N 2.88Å; Q119-T122 PolarHBondContact O-OG1 3.48Å; T122-L125 PolarHBondContact O-N 3.32Å; T122-K126 PolarHBondContact O-N 3.3Å
123	D	87.1	Confident	80.9	Confident	76 Å²	76	94.8 Å²	94.8	41%	0.406	46%	0.457	S	S	.	.	H	α-helix	trans	-71.1	-40.3	176.9	-75.6	-25	0	0	0	111.5	Q119 K120 F121 L125 K126	Q119-D123 PolarHBondContact O-N 3.13Å; K120-D123 PolarHBondContact O-N 2.95Å; F121-D123 VanDerWaalsContact C-N 3.33Å; F121-D123 PolarHBondContact O-N 3.42Å; D123-L125 VanDerWaalsContact C-N 3.25Å; D123-L125 PolarHBondContact O-N 3.2Å; D123-K126 WeakPolarHBondContact O-CB 3.25Å; D123-K126 PolarHBondContact O-N 2.73Å; D123-K126 VanDerWaalsContact O-N 3.07Å; D123-K126 WeakPolarHBondContact OD1-CE 3.46Å; D123-K126 IonicContact OD1-NZ 2.8Å; D123-K126 PolarHBondContact OD1-NZ 3.47Å
124	A	84.5	Confident	82.2	Confident	58 Å²	58	96.8 Å²	96.8	48%	0.479	46%	0.457	S	S	.	.	H	α-helix	trans	-57.5	-40.9	171.5	0	0	0	0	0	111.4	K120 F121 K126 N127 V128	K120-A124 WeakPolarHBondContact O-CB 3.1Å; K120-A124 PolarHBondContact O-N 3.16Å; F121-A124 PolarHBondContact O-N 3.17Å; A124-K126 VanDerWaalsContact C-N 3.28Å; A124-K126 PolarHBondContact O-N 3.43Å; A124-N127 PolarHBondContact O-N 3.49Å; A124-V128 WeakPolarHBondContact O-CG2 3.4Å
125	L	84.6	Confident	83.1	Confident	8 Å²	8	90.4 Å²	90.4	4%	0.042	43%	0.431	C	S	.	.	H	α-helix	trans	-68.2	-19.8	177.4	-70.8	178	0	0	0	114.1	F121 T122 D123 N127 R133 L136 L137	F121-L125 HydrophobicContact CD1-CD1 3.96Å; F121-L125 HydrophobicContact CE1-CD1 3.51Å; F121-L125 HydrophobicContact CE1-CG 4.22Å; F121-L125 HydrophobicContact CZ-CD1 4.01Å; F121-L125 HydrophobicContact CZ-CD2 4.45Å; F121-L125 HydrophobicContact CZ-CG 4.36Å; F121-L125 WeakPolarHBondContact O-CG 3.23Å; F121-L125 PolarHBondContact O-N 3.5Å; T122-L125 PolarHBondContact O-N 3.32Å; D123-L125 VanDerWaalsContact C-N 3.25Å; D123-L125 PolarHBondContact O-N 3.2Å; L125-N127 VanDerWaalsContact C-N 3.26Å; L125-N127 PolarHBondContact O-N 2.86Å; L125-R133 HydrophobicContact CB-CG 4.09Å; L125-R133 HydrophobicContact CD2-CG 4.09Å; L125-R133 HydrophobicContact CG-CG 4.46Å; L125-R133 WeakPolarHBondContact O-CD 3.5Å; L125-R133 PolarHBondContact O-NH1 2.76Å; L125-L136 HydrophobicContact CD2-CB 4.45Å; L125-L136 HydrophobicContact CD2-CD1 3.91Å; L125-L137 HydrophobicContact CD1-CD2 4.09Å; L125-L137 HydrophobicContact CD1-CG 4.47Å
126	K	84.5	Confident	83.7	Confident	137 Å²	137	86.1 Å²	86.1	60%	0.596	41%	0.413	S	S	*	.	H	α-helix	trans	-68.7	-28.1	178.5	-74.2	172.8	-175.1	160.1	0	112.2	T122 D123 A124	T122-K126 PolarHBondContact O-N 3.3Å; D123-K126 WeakPolarHBondContact O-CB 3.25Å; D123-K126 PolarHBondContact O-N 2.73Å; D123-K126 VanDerWaalsContact O-N 3.07Å; D123-K126 WeakPolarHBondContact OD1-CE 3.46Å; D123-K126 IonicContact OD1-NZ 2.8Å; D123-K126 PolarHBondContact OD1-NZ 3.47Å; A124-K126 VanDerWaalsContact C-N 3.28Å; A124-K126 PolarHBondContact O-N 3.43Å
127	N	80.2	Confident	84.2	Confident	150 Å²	150	86.3 Å²	86.3	80%	0.802	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.2	-176.3	-61.7	-22.2	0	0	0	113.2	A124 L125	A124-N127 PolarHBondContact O-N 3.49Å; L125-N127 VanDerWaalsContact C-N 3.26Å; L125-N127 PolarHBondContact O-N 2.86Å
128	V	86.7	Confident	84.7	Confident	45 Å²	45	90.6 Å²	90.6	27%	0.273	42%	0.424	S	S	.	.	S	Bend	trans	-93.7	146.4	-178.8	176.6	0	0	0	0	109.8	A124 E130 E132 R133	A124-V128 WeakPolarHBondContact O-CG2 3.4Å; V128-E130 PolarHBondContact O-N 2.72Å; V128-E132 HydrophobicContact CG1-CB 3.32Å; V128-E132 HydrophobicContact CG1-CG 4.44Å; V128-R133 HydrophobicContact CG1-CB 4.45Å
129	R	86.1	Confident	85	Confident	108 Å²	108	88.6 Å²	88.6	41%	0.408	41%	0.413	S	S	.	.			trans	-60.5	140.3	176.8	-87.8	177	-91.9	130.7	21	110	R131 E132 R133	R129-R131 PolarHBondContact O-N 3.06Å; R129-E132 HydrophobicContact CB-CG 4.49Å; R129-E132 IonicContact CZ-OE1 3.25Å; R129-E132 IonicContact NE-OE1 3.18Å; R129-E132 IonicContact NH1-OE1 3.03Å; R129-E132 PolarHBondContact NH1-OE1 3.35Å; R129-E132 IonicContact NH2-OE1 2.78Å; R129-E132 PolarHBondContact NH2-OE1 3.29Å; R129-E132 IonicContact NH2-OE2 3.33Å; R129-E132 WeakPolarHBondContact O-CA 3.4Å; R129-E132 WeakPolarHBondContact O-CB 3.47Å; R129-E132 PolarHBondContact O-N 3.4Å; R129-R133 PolarHBondContact O-N 2.77Å
130	E	85.1	Confident	84.9	Confident	104 Å²	104	86.6 Å²	86.6	49%	0.486	41%	0.409	S	S	.	.	H	α-helix	trans	-52.1	-35.7	-174.4	-179.4	60.4	-164.1	0	0	113.5	V128 R134	V128-E130 PolarHBondContact O-N 2.72Å; E130-R134 WeakPolarHBondContact O-CG 3.41Å; E130-R134 PolarHBondContact O-N 3.37Å; E130-R134 IonicContact OE1-CZ 3.37Å; E130-R134 IonicContact OE1-NE 3.81Å; E130-R134 PolarHBondContact OE1-NE 3.35Å; E130-R134 IonicContact OE1-NH2 3.94Å; E130-R134 PolarHBondContact OE1-NH2 2.95Å
131	R	82.8	Confident	84.8	Confident	188 Å²	188	86.9 Å²	86.9	71%	0.709	41%	0.412	S	S	*	.	H	α-helix	trans	-63	-49.9	174.7	-176.3	-175.6	-71.6	-134.9	1	112.1	R129 R133 R134 A135	R129-R131 PolarHBondContact O-N 3.06Å; R131-R133 VanDerWaalsContact C-N 3.34Å; R131-R134 PolarHBondContact O-N 3.1Å; R131-A135 PolarHBondContact O-N 3.4Å
132	E	81.4	Confident	84.7	Confident	24 Å²	24	85.8 Å²	85.8	11%	0.112	42%	0.416	C	S	.	.	H	α-helix	trans	-63.2	-42.3	178	-70.4	166.5	-175.4	0	0	110.1	V128 R129 R134 A135 L136 L171 I174	V128-E132 HydrophobicContact CG1-CB 3.32Å; V128-E132 HydrophobicContact CG1-CG 4.44Å; R129-E132 HydrophobicContact CB-CG 4.49Å; R129-E132 IonicContact CZ-OE1 3.25Å; R129-E132 IonicContact NE-OE1 3.18Å; R129-E132 IonicContact NH1-OE1 3.03Å; R129-E132 PolarHBondContact NH1-OE1 3.35Å; R129-E132 IonicContact NH2-OE1 2.78Å; R129-E132 PolarHBondContact NH2-OE1 3.29Å; R129-E132 IonicContact NH2-OE2 3.33Å; R129-E132 WeakPolarHBondContact O-CA 3.4Å; R129-E132 WeakPolarHBondContact O-CB 3.47Å; R129-E132 PolarHBondContact O-N 3.4Å; E132-R134 VanDerWaalsContact C-N 3.35Å; E132-R134 PolarHBondContact O-N 3.08Å; E132-A135 PolarHBondContact O-N 2.86Å; E132-L136 WeakPolarHBondContact O-CG 3.34Å; E132-L136 PolarHBondContact O-N 3.37Å; E132-L171 HydrophobicContact CG-CD2 3.98Å; E132-I174 HydrophobicContact CG-CD1 3.39Å
133	R	85.3	Confident	84.2	Confident	66 Å²	66	86.4 Å²	86.4	25%	0.249	42%	0.417	C	S	.	.	H	α-helix	trans	-56.5	-46.3	175.1	-171.6	-177.2	174.1	122.3	-0	111.8	L125 V128 R129 R131 L137	L125-R133 HydrophobicContact CB-CG 4.09Å; L125-R133 HydrophobicContact CD2-CG 4.09Å; L125-R133 HydrophobicContact CG-CG 4.46Å; L125-R133 WeakPolarHBondContact O-CD 3.5Å; L125-R133 PolarHBondContact O-NH1 2.76Å; V128-R133 HydrophobicContact CG1-CB 4.45Å; R129-R133 PolarHBondContact O-N 2.77Å; R131-R133 VanDerWaalsContact C-N 3.34Å; R133-L137 HydrophobicContact CG-CD1 4.38Å; R133-L137 WeakPolarHBondContact O-CG 3.46Å; R133-L137 PolarHBondContact O-N 3.25Å
134	R	85.4	Confident	83.6	Confident	139 Å²	139	89.1 Å²	89.1	53%	0.525	43%	0.425	S	S	.	.	H	α-helix	trans	-67	-37.7	177.4	-73.5	178.2	-171.9	-170.7	1.4	113	E130 R131 E132 R138	E130-R134 WeakPolarHBondContact O-CG 3.41Å; E130-R134 PolarHBondContact O-N 3.37Å; E130-R134 IonicContact OE1-CZ 3.37Å; E130-R134 IonicContact OE1-NE 3.81Å; E130-R134 PolarHBondContact OE1-NE 3.35Å; E130-R134 IonicContact OE1-NH2 3.94Å; E130-R134 PolarHBondContact OE1-NH2 2.95Å; R131-R134 PolarHBondContact O-N 3.1Å; E132-R134 VanDerWaalsContact C-N 3.35Å; E132-R134 PolarHBondContact O-N 3.08Å; R134-R138 WeakPolarHBondContact O-CG 3.34Å; R134-R138 PolarHBondContact O-N 3.23Å; R134-R138 VanDerWaalsContact O-N 3.07Å
135	A	87	Confident	82.7	Confident	25 Å²	25	93.6 Å²	93.6	21%	0.207	43%	0.434	C	S	.	.	H	α-helix	trans	-62.5	-49.5	176.4	0	0	0	0	0	110.9	R131 E132 L137 R138 L139	R131-A135 PolarHBondContact O-N 3.4Å; E132-A135 PolarHBondContact O-N 2.86Å; A135-L137 PolarHBondContact O-N 3.06Å; A135-R138 PolarHBondContact O-N 3.34Å; A135-R138 VanDerWaalsContact O-N 3.17Å; A135-L139 PolarHBondContact O-N 3.08Å
136	L	84.9	Confident	81.6	Confident	51 Å²	51	96.5 Å²	96.5	27%	0.267	45%	0.452	S	S	.	.	H	α-helix	trans	-58	-45.5	176.4	-68.5	173.9	0	0	0	112.2	L125 E132 R138 L139 T140	L125-L136 HydrophobicContact CD2-CB 4.45Å; L125-L136 HydrophobicContact CD2-CD1 3.91Å; E132-L136 WeakPolarHBondContact O-CG 3.34Å; E132-L136 PolarHBondContact O-N 3.37Å; L136-R138 VanDerWaalsContact C-N 3.34Å; L136-R138 PolarHBondContact O-N 2.98Å; L136-L139 PolarHBondContact O-N 3.5Å; L136-T140 WeakPolarHBondContact O-CG2 3.32Å; L136-T140 PolarHBondContact O-N 3Å; L136-T140 PolarHBondContact O-OG1 3.02Å
137	L	86.2	Confident	80.3	Confident	72 Å²	72	95 Å²	95	38%	0.377	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-40.8	177.7	-73.8	171.8	0	0	0	112.3	L125 R133 A135 T140 Q141	L125-L137 HydrophobicContact CD1-CD2 4.09Å; L125-L137 HydrophobicContact CD1-CG 4.47Å; R133-L137 HydrophobicContact CG-CD1 4.38Å; R133-L137 WeakPolarHBondContact O-CG 3.46Å; R133-L137 PolarHBondContact O-N 3.25Å; A135-L137 PolarHBondContact O-N 3.06Å; L137-T140 PolarHBondContact O-N 3.41Å; L137-T140 PolarHBondContact O-OG1 3.22Å; L137-Q141 PolarHBondContact O-N 3.25Å; L137-Q141 VanDerWaalsContact O-N 3.08Å
138	R	88.1	Confident	79.3	Confident	169 Å²	169	94.3 Å²	94.3	64%	0.638	45%	0.446	S	S	*	.	H	α-helix	trans	-63.1	-47.6	175.7	-72.3	176	-163.6	167.8	2.2	111.6	R134 A135 L136 T140 Q141 S142	R134-R138 WeakPolarHBondContact O-CG 3.34Å; R134-R138 PolarHBondContact O-N 3.23Å; R134-R138 VanDerWaalsContact O-N 3.07Å; A135-R138 PolarHBondContact O-N 3.34Å; A135-R138 VanDerWaalsContact O-N 3.17Å; L136-R138 VanDerWaalsContact C-N 3.34Å; L136-R138 PolarHBondContact O-N 2.98Å; R138-T140 VanDerWaalsContact C-N 3.32Å; R138-T140 PolarHBondContact O-N 2.87Å; R138-Q141 PolarHBondContact O-N 2.79Å; R138-Q141 VanDerWaalsContact O-N 3.1Å; R138-S142 PolarHBondContact O-N 3.4Å; R138-S142 PolarHBondContact O-OG 2.96Å
139	L	85	Confident	77.9	Confident	54 Å²	54	95.7 Å²	95.7	28%	0.283	46%	0.458	S	S	.	.	H	α-helix	trans	-55.5	-46.3	177	-89.9	152	0	0	0	111.9	A135 L136 Q141 S142 N143 E170	A135-L139 PolarHBondContact O-N 3.08Å; L136-L139 PolarHBondContact O-N 3.5Å; L139-Q141 VanDerWaalsContact C-N 3.31Å; L139-Q141 PolarHBondContact O-N 3.39Å; L139-S142 PolarHBondContact O-N 3.33Å; L139-N143 PolarHBondContact O-N 3.07Å; L139-E170 WeakPolarHBondContact CD1-OE2 3.46Å
140	T	84.6	Confident	75.8	Confident	67 Å²	67	93.6 Å²	93.6	41%	0.411	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-38.1	177.1	59.8	0	0	0	0	112.4	F121 L136 L137 R138 K144	F121-T140 HydrophobicContact CZ-CG2 4.38Å; L136-T140 WeakPolarHBondContact O-CG2 3.32Å; L136-T140 PolarHBondContact O-N 3Å; L136-T140 PolarHBondContact O-OG1 3.02Å; L137-T140 PolarHBondContact O-N 3.41Å; L137-T140 PolarHBondContact O-OG1 3.22Å; R138-T140 VanDerWaalsContact C-N 3.32Å; R138-T140 PolarHBondContact O-N 2.87Å; T140-K144 WeakPolarHBondContact O-CB 3.48Å; T140-K144 PolarHBondContact O-N 3.34Å
141	Q	83.1	Confident	73.9	Confident	133 Å²	133	95.6 Å²	95.6	62%	0.621	48%	0.483	S	S	*	.	H	α-helix	trans	-69.9	-40.8	176.8	-114.7	175.2	20.5	0	0	113	L137 R138 L139 K144 K145	L137-Q141 PolarHBondContact O-N 3.25Å; L137-Q141 VanDerWaalsContact O-N 3.08Å; R138-Q141 PolarHBondContact O-N 2.79Å; R138-Q141 VanDerWaalsContact O-N 3.1Å; L139-Q141 VanDerWaalsContact C-N 3.31Å; L139-Q141 PolarHBondContact O-N 3.39Å; Q141-K144 PolarHBondContact O-N 2.78Å; Q141-K145 PolarHBondContact O-N 3.47Å; Q141-K145 VanDerWaalsContact O-N 3.08Å
142	S	80.6	Confident	71.9	Confident	67 Å²	67	90.6 Å²	90.6	47%	0.469	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-47.2	175.7	-53.9	0	0	0	0	110.9	R138 L139 K144 K145 T146	R138-S142 PolarHBondContact O-N 3.4Å; R138-S142 PolarHBondContact O-OG 2.96Å; L139-S142 PolarHBondContact O-N 3.33Å; S142-K144 PolarHBondContact O-N 3.39Å; S142-K145 WeakPolarHBondContact O-CB 3.47Å; S142-K145 PolarHBondContact O-N 3.06Å; S142-T146 PolarHBondContact O-N 3.3Å
143	N	75.5	Confident	70.1	Confident	74 Å²	74	94.6 Å²	94.6	40%	0.396	50%	0.496	S	S	.	.	H	α-helix	trans	-66.5	-36.5	177.8	-78.8	-18.3	0	0	0	112.4	L139 K145 T146 V147	L139-N143 PolarHBondContact O-N 3.07Å; N143-K145 VanDerWaalsContact C-N 3.28Å; N143-K145 PolarHBondContact O-N 2.99Å; N143-T146 WeakPolarHBondContact CA-OG1 3.26Å; N143-T146 PolarHBondContact O-N 3.41Å; N143-T146 PolarHBondContact O-OG1 2.86Å; N143-V147 WeakPolarHBondContact O-CG2 3.44Å; N143-V147 PolarHBondContact O-N 3.02Å
144	K	73.2	Confident	67.8	Low	133 Å²	133	97.5 Å²	97.5	58%	0.578	52%	0.523	S	S	*	.	H	α-helix	trans	-60.9	-41.2	174.4	-165.4	175.8	-178	-177.8	0	111.2	T140 Q141 S142 V147 E148	T140-K144 WeakPolarHBondContact O-CB 3.48Å; T140-K144 PolarHBondContact O-N 3.34Å; Q141-K144 PolarHBondContact O-N 2.78Å; S142-K144 PolarHBondContact O-N 3.39Å; K144-V147 PolarHBondContact O-N 3.17Å; K144-E148 WeakPolarHBondContact CE-OE1 3.33Å; K144-E148 WeakPolarHBondContact O-CB 3.4Å; K144-E148 WeakPolarHBondContact O-CG 3.36Å; K144-E148 PolarHBondContact O-N 3.07Å
145	K	65.8	Low	65.6	Low	151 Å²	151	97.7 Å²	97.7	66%	0.657	53%	0.534	S	S	*	.	H	α-helix	trans	-65.1	-38.4	174.8	-77.7	-179.2	175.9	-179.6	0	113.4	Q141 S142 N143 S149	Q141-K145 PolarHBondContact O-N 3.47Å; Q141-K145 VanDerWaalsContact O-N 3.08Å; S142-K145 WeakPolarHBondContact O-CB 3.47Å; S142-K145 PolarHBondContact O-N 3.06Å; N143-K145 VanDerWaalsContact C-N 3.28Å; N143-K145 PolarHBondContact O-N 2.99Å; K145-S149 WeakPolarHBondContact O-CB 3.26Å; K145-S149 PolarHBondContact O-N 3.01Å; K145-S149 VanDerWaalsContact O-N 3.08Å; K145-S149 PolarHBondContact O-OG 3.4Å
146	T	63.1	Low	63.3	Low	69 Å²	69	104.1 Å²	104.1	42%	0.423	56%	0.56	S	S	.	*	H	α-helix	trans	-69.6	-37.9	178.5	53.2	0	0	0	0	112	S142 N143 S149	S142-T146 PolarHBondContact O-N 3.3Å; N143-T146 WeakPolarHBondContact CA-OG1 3.26Å; N143-T146 PolarHBondContact O-N 3.41Å; N143-T146 PolarHBondContact O-OG1 2.86Å; T146-S149 WeakPolarHBondContact CA-OG 3.45Å; T146-S149 PolarHBondContact O-OG 3.35Å
147	V	56.6	Low	60.7	Low	105 Å²	105	110 Å²	110	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-67.7	-42.7	174.8	175.8	0	0	0	0	111.4	N143 K144 S149 G150	N143-V147 WeakPolarHBondContact O-CG2 3.44Å; N143-V147 PolarHBondContact O-N 3.02Å; K144-V147 PolarHBondContact O-N 3.17Å; V147-S149 VanDerWaalsContact C-N 3.3Å; V147-S149 PolarHBondContact O-N 3.39Å; V147-G150 PolarHBondContact O-N 2.94Å
148	E	58.9	Low	58.2	Low	137 Å²	137	115 Å²	115	64%	0.64	61%	0.605	S	S	*	*	H	α-helix	trans	-69.3	-24.9	178.9	-75.6	173.6	179.2	0	0	113.4	K144 G150	K144-E148 WeakPolarHBondContact CE-OE1 3.33Å; K144-E148 WeakPolarHBondContact O-CB 3.4Å; K144-E148 WeakPolarHBondContact O-CG 3.36Å; K144-E148 PolarHBondContact O-N 3.07Å; E148-G150 VanDerWaalsContact C-N 3.29Å; E148-G150 PolarHBondContact O-N 3.43Å
149	S	58.2	Low	55.9	Low	74 Å²	74	112.4 Å²	112.4	52%	0.517	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	5.2	178.4	46.2	0	0	0	0	114.4	K145 T146 V147 N151	K145-S149 WeakPolarHBondContact O-CB 3.26Å; K145-S149 PolarHBondContact O-N 3.01Å; K145-S149 VanDerWaalsContact O-N 3.08Å; K145-S149 PolarHBondContact O-OG 3.4Å; T146-S149 WeakPolarHBondContact CA-OG 3.45Å; T146-S149 PolarHBondContact O-OG 3.35Å; V147-S149 VanDerWaalsContact C-N 3.3Å; V147-S149 PolarHBondContact O-N 3.39Å; S149-N151 PolarHBondContact O-N 3.34Å; S149-N151 VanDerWaalsContact O-N 3.15Å
150	G	41.2	Very low	53.5	Low	63 Å²	63	114 Å²	114	65%	0.649	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.4	10.4	170.8	0	0	0	0	0	115.7	V147 E148 V152	V147-G150 PolarHBondContact O-N 2.94Å; E148-G150 VanDerWaalsContact C-N 3.29Å; E148-G150 PolarHBondContact O-N 3.43Å; G150-V152 VanDerWaalsContact C-N 3.32Å; G150-V152 PolarHBondContact O-N 3.22Å
151	N	45.9	Very low	51.1	Low	147 Å²	147	114.9 Å²	114.9	79%	0.786	62%	0.616	S	S	*	*			trans	-91.8	50	179.3	-86.8	-35.8	0	0	0	112.3	S149	S149-N151 PolarHBondContact O-N 3.34Å; S149-N151 VanDerWaalsContact O-N 3.15Å
152	V	40.7	Very low	49.2	Very low	82 Å²	82	112 Å²	112	50%	0.497	61%	0.611	S	S	.	*			trans	-129	116.7	172.9	-171.6	0	0	0	0	109.6	G150	G150-V152 VanDerWaalsContact C-N 3.32Å; G150-V152 PolarHBondContact O-N 3.22Å
153	D	43.5	Very low	47.5	Very low	109 Å²	109	113 Å²	113	58%	0.583	61%	0.61	S	S	*	*			trans	-62.7	124.7	174.5	-158.7	-30.1	0	0	0	109	N155 E156	D153-N155 PolarHBondContact O-N 3.12Å; D153-E156 PolarHBondContact O-N 3.38Å
154	P	37.3	Very low	46.1	Very low	127 Å²	127	114.2 Å²	114.2	83%	0.825	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-9.3	-175	-25.4	33	0	0	0	115.8
155	N	38.6	Very low	45.1	Very low	142 Å²	142	115.2 Å²	115.2	76%	0.759	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-0.9	-175	-70.8	-50.7	0	0	0	115.1	D153 E157	D153-N155 PolarHBondContact O-N 3.12Å; N155-E157 PolarHBondContact O-N 3.24Å; N155-E157 VanDerWaalsContact O-N 3.09Å
156	E	39	Very low	44.6	Very low	160 Å²	160	112.7 Å²	112.7	75%	0.748	61%	0.614	S	S	*	*			trans	-82.6	92.9	177.9	-142.5	174.1	-169.1	0	0	109.8	D153 F158	D153-E156 PolarHBondContact O-N 3.38Å; E156-F158 PolarHBondContact O-N 3.29Å
157	E	29.9	Very low	44.3	Very low	174 Å²	174	112 Å²	112	81%	0.813	61%	0.608	S	S	*	*			trans	-54.7	112.5	172.9	-73.6	-172.3	162.5	0	0	109.4	N155 H159	N155-E157 PolarHBondContact O-N 3.24Å; N155-E157 VanDerWaalsContact O-N 3.09Å; E157-H159 VanDerWaalsContact C-N 3.31Å; E157-H159 PolarHBondContact O-N 2.78Å
158	F	33.5	Very low	44.4	Very low	178 Å²	178	111.6 Å²	111.6	78%	0.781	61%	0.605	S	S	*	*			trans	-62.6	90.1	177.4	-147.6	-93.9	0	0	0	109.2	E156 P160	E156-F158 PolarHBondContact O-N 3.29Å; F158-P160 VanDerWaalsContact O-CD 3.25Å; F158-P160 WeakPolarHBondContact O-CD 3.48Å
159	H	39.5	Very low	44.5	Very low	115 Å²	115	112 Å²	112	53%	0.532	60%	0.604	S	S	.	*			trans	-77.1	112	-178	-142.7	-74.5	0	0	0	108.4	E157 D161 S162	E157-H159 VanDerWaalsContact C-N 3.31Å; E157-H159 PolarHBondContact O-N 2.78Å; H159-D161 IonicContact CE1-OD2 2.73Å; H159-D161 PolarHBondContact CE1-OD2 3.38Å; H159-D161 VanDerWaalsContact CE1-OD2 3.22Å; H159-D161 IonicContact ND1-OD2 3.22Å; H159-D161 PolarHBondContact ND1-OD2 3Å; H159-D161 PolarHBondContact O-N 3.03Å; H159-S162 WeakPolarHBondContact O-CB 3.26Å; H159-S162 PolarHBondContact O-N 3.5Å
160	P	35.8	Very low	44.6	Very low	88 Å²	88	112.4 Å²	112.4	57%	0.571	60%	0.598	S	S	*	*	H	α-helix	trans	-59.1	-22.5	-174.1	21.9	-32	0	0	0	113.2	F158 S162 L163 D164	F158-P160 VanDerWaalsContact O-CD 3.25Å; F158-P160 WeakPolarHBondContact O-CD 3.48Å; P160-S162 PolarHBondContact O-N 2.88Å; P160-L163 WeakPolarHBondContact O-CB 3.42Å; P160-L163 PolarHBondContact O-N 3.19Å; P160-D164 PolarHBondContact O-N 3.45Å
161	D	33.9	Very low	45.4	Very low	85 Å²	85	113.4 Å²	113.4	46%	0.455	59%	0.588	S	S	.	*	H	α-helix	trans	-63.6	-20.6	174.9	-63.2	-17.1	0	0	0	114.1	H159 K165	H159-D161 IonicContact CE1-OD2 2.73Å; H159-D161 PolarHBondContact CE1-OD2 3.38Å; H159-D161 VanDerWaalsContact CE1-OD2 3.22Å; H159-D161 IonicContact ND1-OD2 3.22Å; H159-D161 PolarHBondContact ND1-OD2 3Å; H159-D161 PolarHBondContact O-N 3.03Å; D161-K165 VanDerWaalsContact O-CG 3.26Å; D161-K165 WeakPolarHBondContact O-CG 3.34Å; D161-K165 PolarHBondContact O-N 3.33Å
162	S	42.8	Very low	46	Very low	73 Å²	73	110.5 Å²	110.5	51%	0.51	58%	0.579	S	S	.	*	H	α-helix	trans	-76.3	-36.4	176.6	-165.3	0	0	0	0	111.6	H159 P160 K165 L166	H159-S162 WeakPolarHBondContact O-CB 3.26Å; H159-S162 PolarHBondContact O-N 3.5Å; P160-S162 PolarHBondContact O-N 2.88Å; S162-K165 PolarHBondContact O-N 2.88Å; S162-L166 PolarHBondContact O-N 2.98Å; S162-L166 VanDerWaalsContact O-N 3.12Å
163	L	45.7	Very low	46.6	Very low	87 Å²	87	112.6 Å²	112.6	46%	0.455	59%	0.588	S	S	.	*	H	α-helix	trans	-65.9	-45	176	-165.3	81.3	0	0	0	110.7	P160 K165 L166 I167	P160-L163 WeakPolarHBondContact O-CB 3.42Å; P160-L163 PolarHBondContact O-N 3.19Å; L163-K165 VanDerWaalsContact C-N 3.31Å; L163-K165 PolarHBondContact O-N 3.04Å; L163-L166 PolarHBondContact O-N 2.92Å; L163-I167 HydrophobicContact CD2-CD1 4.23Å; L163-I167 HydrophobicContact CG-CD1 3.89Å; L163-I167 WeakPolarHBondContact O-CB 3.46Å; L163-I167 VanDerWaalsContact O-CG1 3.26Å; L163-I167 WeakPolarHBondContact O-CG1 3.11Å; L163-I167 PolarHBondContact O-N 2.93Å
164	D	44.6	Very low	47	Very low	100 Å²	100	109.1 Å²	109.1	54%	0.535	57%	0.569	S	S	.	*	H	α-helix	trans	-61.3	-39.4	176.4	-84	-7.4	0	0	0	111.6	P160 V168	P160-D164 PolarHBondContact O-N 3.45Å; D164-V168 VanDerWaalsContact O-CB 3.28Å; D164-V168 WeakPolarHBondContact O-CB 3.34Å; D164-V168 WeakPolarHBondContact O-CG2 3.28Å; D164-V168 PolarHBondContact O-N 3.37Å
165	K	53.2	Low	47.2	Very low	154 Å²	154	112.7 Å²	112.7	67%	0.67	57%	0.572	S	S	*	*	H	α-helix	trans	-67.5	-39.7	178.1	-75.7	172.9	-172.3	176.4	0	113.3	D161 S162 L163 K169	D161-K165 VanDerWaalsContact O-CG 3.26Å; D161-K165 WeakPolarHBondContact O-CG 3.34Å; D161-K165 PolarHBondContact O-N 3.33Å; S162-K165 PolarHBondContact O-N 2.88Å; L163-K165 VanDerWaalsContact C-N 3.31Å; L163-K165 PolarHBondContact O-N 3.04Å; K165-K169 WeakPolarHBondContact O-CB 3.23Å; K165-K169 PolarHBondContact O-N 3.39Å
166	L	54.1	Low	47.3	Very low	98 Å²	98	112.4 Å²	112.4	51%	0.513	56%	0.564	S	S	.	*	H	α-helix	trans	-69.4	-42.6	177.5	-77.2	168.5	0	0	0	111.8	S162 L163 K169 E170	S162-L166 PolarHBondContact O-N 2.98Å; S162-L166 VanDerWaalsContact O-N 3.12Å; L163-L166 PolarHBondContact O-N 2.92Å; L166-K169 PolarHBondContact O-N 3.43Å; L166-E170 PolarHBondContact O-N 2.98Å
167	I	57.9	Low	47.3	Very low	55 Å²	55	110.7 Å²	110.7	28%	0.282	56%	0.56	S	S	.	*	H	α-helix	trans	-61.9	-45.3	175.2	-68.5	168.1	0	0	0	110.5	L163 K169 E170 L171	L163-I167 HydrophobicContact CD2-CD1 4.23Å; L163-I167 HydrophobicContact CG-CD1 3.89Å; L163-I167 WeakPolarHBondContact O-CB 3.46Å; L163-I167 VanDerWaalsContact O-CG1 3.26Å; L163-I167 WeakPolarHBondContact O-CG1 3.11Å; L163-I167 PolarHBondContact O-N 2.93Å; I167-K169 VanDerWaalsContact C-N 3.32Å; I167-K169 PolarHBondContact O-N 3.29Å; I167-E170 PolarHBondContact O-N 3Å; I167-L171 HydrophobicContact CG2-CD1 3.71Å; I167-L171 HydrophobicContact CG2-CG 4.34Å; I167-L171 WeakPolarHBondContact O-CB 3.39Å; I167-L171 VanDerWaalsContact O-CG 3.23Å; I167-L171 WeakPolarHBondContact O-CG 3.4Å; I167-L171 PolarHBondContact O-N 2.8Å
168	V	58.2	Low	48.3	Very low	96 Å²	96	110.8 Å²	110.8	58%	0.582	56%	0.558	S	S	*	*	H	α-helix	trans	-63.3	-38.2	177.5	169.1	0	0	0	0	111.7	D164 S172	D164-V168 VanDerWaalsContact O-CB 3.28Å; D164-V168 WeakPolarHBondContact O-CB 3.34Å; D164-V168 WeakPolarHBondContact O-CG2 3.28Å; D164-V168 PolarHBondContact O-N 3.37Å; V168-S172 WeakPolarHBondContact O-CB 3.1Å; V168-S172 PolarHBondContact O-N 2.65Å
169	K	61.8	Low	48.8	Very low	144 Å²	144	108.6 Å²	108.6	63%	0.626	55%	0.554	S	S	*	*	H	α-helix	trans	-67.1	-47.8	177.9	-165.2	172.7	-175.8	175.5	0	111.7	K165 L166 I167 L171 S172 D173	K165-K169 WeakPolarHBondContact O-CB 3.23Å; K165-K169 PolarHBondContact O-N 3.39Å; L166-K169 PolarHBondContact O-N 3.43Å; I167-K169 VanDerWaalsContact C-N 3.32Å; I167-K169 PolarHBondContact O-N 3.29Å; K169-L171 PolarHBondContact O-N 3.46Å; K169-S172 PolarHBondContact O-N 3.01Å; K169-S172 PolarHBondContact O-OG 3.41Å; K169-D173 PolarHBondContact O-N 3.45Å
170	E	58.6	Low	49.1	Very low	84 Å²	84	111.8 Å²	111.8	39%	0.393	57%	0.566	S	S	.	*	H	α-helix	trans	-64.8	-36.9	176.1	-93.3	-172.8	161	0	0	113	L139 L166 I167 S172 D173 I174	L139-E170 WeakPolarHBondContact CD1-OE2 3.46Å; L166-E170 PolarHBondContact O-N 2.98Å; I167-E170 PolarHBondContact O-N 3Å; E170-S172 VanDerWaalsContact C-N 3.28Å; E170-S172 PolarHBondContact O-N 3.03Å; E170-D173 PolarHBondContact O-N 3.19Å; E170-I174 WeakPolarHBondContact O-CG1 3.35Å
171	L	58.5	Low	49.5	Very low	83 Å²	83	117.7 Å²	117.7	44%	0.435	58%	0.579	S	S	.	*	H	α-helix	trans	-66.8	-30.3	175	-73.9	171.4	0	0	0	112.4	E132 I167 K169 D173 I174	E132-L171 HydrophobicContact CG-CD2 3.98Å; I167-L171 HydrophobicContact CG2-CD1 3.71Å; I167-L171 HydrophobicContact CG2-CG 4.34Å; I167-L171 WeakPolarHBondContact O-CB 3.39Å; I167-L171 VanDerWaalsContact O-CG 3.23Å; I167-L171 WeakPolarHBondContact O-CG 3.4Å; I167-L171 PolarHBondContact O-N 2.8Å; K169-L171 PolarHBondContact O-N 3.46Å; L171-D173 VanDerWaalsContact C-N 3.33Å; L171-I174 PolarHBondContact O-N 3.43Å
172	S	58.8	Low	49.8	Very low	86 Å²	86	122.3 Å²	122.3	60%	0.601	60%	0.597	S	S	*	*	H	α-helix	trans	-71.1	-26.2	178.7	72.4	0	0	0	0	113.8	V168 K169 E170 I174	V168-S172 WeakPolarHBondContact O-CB 3.1Å; V168-S172 PolarHBondContact O-N 2.65Å; K169-S172 PolarHBondContact O-N 3.01Å; K169-S172 PolarHBondContact O-OG 3.41Å; E170-S172 VanDerWaalsContact C-N 3.28Å; E170-S172 PolarHBondContact O-N 3.03Å; S172-I174 VanDerWaalsContact C-N 3.3Å; S172-I174 PolarHBondContact O-N 3.32Å
173	D	54.1	Low	49.5	Very low	127 Å²	127	123.1 Å²	123.1	68%	0.679	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-11.4	177.7	-69.3	-30.8	0	0	0	113	K169 E170 L171 K175	K169-D173 PolarHBondContact O-N 3.45Å; E170-D173 PolarHBondContact O-N 3.19Å; L171-D173 VanDerWaalsContact C-N 3.33Å; D173-K175 PolarHBondContact O-N 3.03Å
174	I	50.8	Low	48.9	Very low	36 Å²	36	126.3 Å²	126.3	19%	0.185	62%	0.62	C	S	.	*	S	Bend	trans	-87.6	92.9	179	-58.7	172.9	0	0	0	108.4	E132 E170 L171 S172 F176	E132-I174 HydrophobicContact CG-CD1 3.39Å; E170-I174 WeakPolarHBondContact O-CG1 3.35Å; L171-I174 PolarHBondContact O-N 3.43Å; S172-I174 VanDerWaalsContact C-N 3.3Å; S172-I174 PolarHBondContact O-N 3.32Å; I174-F176 PolarHBondContact O-N 3.5Å
175	K	43	Very low	48.6	Very low	202 Å²	202	129 Å²	129	88%	0.878	64%	0.635	S	S	*	*			trans	-51.5	114.3	171.1	-71.5	-175.8	179.5	-179.1	0	110.1	D173 D177	D173-K175 PolarHBondContact O-N 3.03Å; K175-D177 PolarHBondContact O-N 3.21Å
176	F	39.6	Very low	47.9	Very low	136 Å²	136	132.3 Å²	132.3	60%	0.596	65%	0.645	S	S	*	*			trans	-78.9	106.1	179.3	-147.6	-79	0	0	0	108.7	I174 K178	I174-F176 PolarHBondContact O-N 3.5Å; F176-K178 PolarHBondContact O-N 3.26Å
177	D	39.6	Very low	47.2	Very low	124 Å²	124	137.8 Å²	137.8	66%	0.663	66%	0.664	S	S	*	*			trans	-79.2	102.6	176.1	-153	-15	0	0	0	109.1	K175 N179	K175-D177 PolarHBondContact O-N 3.21Å; D177-N179 PolarHBondContact O-N 3.25Å
178	K	49.6	Very low	46.4	Very low	176 Å²	176	140.6 Å²	140.6	77%	0.765	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-66.2	-15.4	-177.2	-90.4	178.6	173.5	174.5	0	113.3	F176 K180	F176-K178 PolarHBondContact O-N 3.26Å; K178-K180 VanDerWaalsContact C-N 3.32Å; K178-K180 PolarHBondContact O-N 3.21Å
179	N	45.8	Very low	45.7	Very low	131 Å²	131	145.6 Å²	145.6	70%	0.701	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-84.4	5.9	-166.8	-67.6	-19.1	0	0	0	115.4	D177	D177-N179 PolarHBondContact O-N 3.25Å
180	K	45.5	Very low	44.9	Very low	182 Å²	182	145.7 Å²	145.7	79%	0.791	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-92.3	-4.8	-177.1	-161.3	163.8	-178.8	173.2	0	115	K178	K178-K180 VanDerWaalsContact C-N 3.32Å; K178-K180 PolarHBondContact O-N 3.21Å
181	Y	43.3	Very low	44.1	Very low	213 Å²	213	148.9 Å²	148.9	84%	0.835	75%	0.751	S	S	*	*	S	Bend	trans	-106.5	10.1	-174	-84.4	-81.7	0	0	0	115.6
182	E	39.8	Very low	43.3	Very low	182 Å²	182	152.6 Å²	152.6	85%	0.85	77%	0.768	S	S	*	*	S	Bend	trans	-105.8	6.6	-176.3	-96.3	180	175.6	0	0	116.1
183	S	37.1	Very low	42.4	Very low	90 Å²	90	156.5 Å²	156.5	63%	0.629	78%	0.778	S	S	*	*	S	Bend	trans	-139.8	100.5	175	49.4	0	0	0	0	111.1
184	N	34.1	Very low	41.7	Very low	153 Å²	153	158.3 Å²	158.3	82%	0.818	78%	0.784	S	S	*	*			trans	147.7	78.1	149	-72.5	-24.3	0	0	0	109.1
185	D	36.6	Very low	41.1	Very low	156 Å²	156	166.5 Å²	166.5	83%	0.834	82%	0.824	S	S	*	*			trans	-159.7	142.3	145.5	-90.5	-33.4	0	0	0	108.6
186	Y	39.6	Very low	41	Very low	225 Å²	225	163.9 Å²	163.9	88%	0.882	82%	0.821	S	S	*	*			trans	88.1	61.8	-174.6	-55.6	-80	0	0	0	118
187	K	39	Very low	41.1	Very low	213 Å²	213	166.1 Å²	166.1	93%	0.926	84%	0.838	S	S	*	*			trans	-125.1	85.1	135	-99.2	-177.4	178.8	176.7	0	109.1
188	S	42.2	Very low	41.2	Very low	114 Å²	114	169.6 Å²	169.6	80%	0.797	85%	0.852	S	S	*	*			trans	-148.2	84.6	161	-96.9	0	0	0	0	107.4
189	S	41.8	Very low	40.4	Very low	200 Å²	200	169 Å²	169	100%	1.399	86%	0.86	S	S	*	*			trans	170.9	0	147.5	-73.6	0	0	0	0	108.1

Retrieved 189 of 189 residues in 87.2 ms (Link to these results)

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