A0ACM8QIM3_SCHMA Loading...

DIF_3 AlphaSync

AlphaFold DB (B8Y6H2), UniProt , Accession A0ACM8QIM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 219 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.7	Low	54.9	Low	246 Å²	246	156.1 Å²	156.1	100%	1.212	85%	0.852	S	S	*	*				0	179.8	0	-66.3	-172.4	-173.7	0	0	108.8
2	A	58.1	Low	54.1	Low	102 Å²	102	160.3 Å²	160.3	84%	0.843	86%	0.857	S	S	*	*			trans	70.3	84.8	-174.1	0	0	0	0	0	115.5
3	C	50.4	Low	53.6	Low	135 Å²	135	158.8 Å²	158.8	91%	0.912	85%	0.849	S	S	*	*			trans	-112.5	137.2	152.2	-69.6	0	0	0	0	107.8
4	A	55	Low	52.6	Low	106 Å²	106	157.5 Å²	157.5	88%	0.876	84%	0.84	S	S	*	*			trans	-134.7	108.5	173.5	0	0	0	0	0	109.7
5	T	56.5	Low	52.1	Low	129 Å²	129	157.9 Å²	157.9	79%	0.791	84%	0.837	S	S	*	*			trans	-88.9	155.1	172.7	55.1	0	0	0	0	110
6	L	56.2	Low	51.4	Low	156 Å²	156	159.1 Å²	159.1	82%	0.817	83%	0.833	S	S	*	*			trans	-154.6	90.3	151.3	-139.8	71.7	0	0	0	112.1
7	K	63.4	Low	51.2	Low	197 Å²	197	154.9 Å²	154.9	86%	0.857	83%	0.827	S	S	*	*			trans	-64.3	140.8	158.2	-89.8	-173.5	173.1	-178.2	0	108.3
8	R	58.1	Low	50.7	Low	231 Å²	231	153.2 Å²	153.2	87%	0.872	82%	0.823	S	S	*	*			trans	-103	130.6	161.1	-65.7	-168.2	-172.5	103.7	-0.2	109.5
9	T	48.7	Very low	50.2	Low	128 Å²	128	151.7 Å²	151.7	79%	0.785	82%	0.824	S	S	*	*			trans	-138.8	102.5	168.6	46.7	0	0	0	0	107.4
10	H	53.4	Low	49.7	Very low	173 Å²	173	149.1 Å²	149.1	80%	0.801	82%	0.818	S	S	*	*			trans	-166.4	126.2	-172.7	-171.5	-79.7	0	0	0	108.7
11	N	45.7	Very low	49.5	Very low	114 Å²	114	151.7 Å²	151.7	61%	0.61	82%	0.821	S	S	*	*			cis	-151.3	148.1	-12.6	-128.4	-31.1	0	0	0	108.5	D13	N11-D13 PolarHBondContact O-N 3.29Å
12	F	44.5	Very low	48.9	Very low	206 Å²	206	152.2 Å²	152.2	90%	0.904	81%	0.81	S	S	*	*			trans	-89.9	89.1	163	-98.1	-89.2	0	0	0	107.4
13	D	47.4	Very low	48.5	Very low	142 Å²	142	158.5 Å²	158.5	76%	0.759	81%	0.812	S	S	*	*			trans	-83.5	134	-177.8	-159.3	-6	0	0	0	111.8	N11 M15	N11-D13 PolarHBondContact O-N 3.29Å; D13-M15 PolarHBondContact O-N 2.9Å
14	I	39.7	Very low	48.8	Very low	140 Å²	140	162.9 Å²	162.9	72%	0.718	81%	0.809	S	S	*	*			trans	-100	80.2	-169.5	-55.3	176.7	0	0	0	107.9	K16	I14-K16 HydrophobicContact CG2-CB 4.48Å; I14-K16 PolarHBondContact O-N 2.87Å
15	M	45.7	Very low	48.3	Very low	163 Å²	163	168.6 Å²	168.6	80%	0.803	81%	0.809	S	S	*	*			trans	-68.5	74.8	172.1	-82.4	-118.1	67.5	0	0	111.4	D13 A17	D13-M15 PolarHBondContact O-N 2.9Å; M15-A17 PolarHBondContact O-N 2.91Å
16	K	40.5	Very low	48.1	Very low	177 Å²	177	170.1 Å²	170.1	77%	0.77	81%	0.807	S	S	*	*			trans	-70.8	65.4	173.6	-167.1	175.7	-176.7	177	0	110.1	I14 T18	I14-K16 HydrophobicContact CG2-CB 4.48Å; I14-K16 PolarHBondContact O-N 2.87Å; K16-T18 VanDerWaalsContact C-N 3.32Å; K16-T18 PolarHBondContact O-N 2.96Å
17	A	48.6	Very low	47.3	Very low	88 Å²	88	167.2 Å²	167.2	73%	0.727	81%	0.806	S	S	*	*			trans	-71.8	77.2	-171.4	0	0	0	0	0	112.9	M15	M15-A17 PolarHBondContact O-N 2.91Å
18	T	41.4	Very low	46.6	Very low	125 Å²	125	164.2 Å²	164.2	77%	0.767	80%	0.799	S	S	*	*			trans	-70	123.9	166.4	54.1	0	0	0	0	110.5	K16	K16-T18 VanDerWaalsContact C-N 3.32Å; K16-T18 PolarHBondContact O-N 2.96Å
19	C	42.3	Very low	45.9	Very low	124 Å²	124	159.3 Å²	159.3	84%	0.838	79%	0.794	S	S	*	*			trans	174.4	139.3	137.4	-169.1	0	0	0	0	112.6
20	S	39.9	Very low	45.7	Very low	99 Å²	99	164 Å²	164	69%	0.692	80%	0.798	S	S	*	*			trans	-45.2	135.3	174.5	-50.7	0	0	0	0	117.6
21	K	45.4	Very low	44.9	Very low	204 Å²	204	162.3 Å²	162.3	89%	0.887	80%	0.795	S	S	*	*				-176.1	144.6	111.8	-96.2	154.2	-173.2	175	0	112.4	R23	K21-R23 PolarHBondContact O-N 3.03Å
22	R	46.1	Very low	44.4	Very low	258 Å²	258	162.4 Å²	162.4	97%	0.974	80%	0.803	S	S	*	*			trans	-63.3	100.8	178.6	-66.1	164	76.3	-171.4	8.1	110.8
23	R	50.2	Low	44.1	Very low	234 Å²	234	159.8 Å²	159.8	88%	0.883	80%	0.799	S	S	*	*			trans	-88.7	112.4	167.2	-175.9	169.6	-78.3	-144.3	-1.3	109.4	K21 Y25	K21-R23 PolarHBondContact O-N 3.03Å; R23-Y25 PolarHBondContact O-N 3Å
24	R	56	Low	43.7	Very low	227 Å²	227	159 Å²	159	86%	0.857	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-58.4	123.4	174.8	179.1	-175.5	-71.1	158	-4.8	109.4	Q26	R24-Q26 PolarHBondContact O-N 3.02Å
25	Y	45.1	Very low	43.7	Very low	226 Å²	226	160.8 Å²	160.8	89%	0.886	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-62.5	119.1	172.4	-70.4	-93.1	0	0	0	109.6	R23	R23-Y25 PolarHBondContact O-N 3Å
26	Q	51.2	Low	43.7	Very low	160 Å²	160	157.9 Å²	157.9	75%	0.748	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-85.1	126.5	158.4	-77.2	-179.3	-25.6	0	0	107.4	R24 L28	R24-Q26 PolarHBondContact O-N 3.02Å; Q26-L28 VanDerWaalsContact C-N 3.32Å; Q26-L28 HydrophobicContact CB-CD1 3.83Å; Q26-L28 PolarHBondContact O-N 2.87Å
27	A	40.9	Very low	43.9	Very low	96 Å²	96	154.1 Å²	154.1	79%	0.793	80%	0.802	S	S	*	*			trans	-76.4	85.3	172.5	0	0	0	0	0	109.3	T29	A27-T29 VanDerWaalsContact C-N 3.35Å; A27-T29 PolarHBondContact O-N 3.16Å; A27-T29 VanDerWaalsContact O-N 3.09Å
28	L	48.1	Very low	44	Very low	134 Å²	134	154.9 Å²	154.9	70%	0.702	81%	0.809	S	S	*	*			trans	-76.1	91.9	165.7	-76.7	93	0	0	0	108.7	Q26 R30	Q26-L28 VanDerWaalsContact C-N 3.32Å; Q26-L28 HydrophobicContact CB-CD1 3.83Å; Q26-L28 PolarHBondContact O-N 2.87Å; L28-R30 PolarHBondContact O-N 3.4Å
29	T	42.3	Very low	44.5	Very low	127 Å²	127	154 Å²	154	78%	0.779	81%	0.808	S	S	*	*			trans	-63.5	89	160.6	49	0	0	0	0	108.3	A27	A27-T29 VanDerWaalsContact C-N 3.35Å; A27-T29 PolarHBondContact O-N 3.16Å; A27-T29 VanDerWaalsContact O-N 3.09Å
30	R	44.9	Very low	45.2	Very low	226 Å²	226	155.3 Å²	155.3	85%	0.853	80%	0.801	S	S	*	*			trans	-94.2	106.3	-178.1	-160.7	176.3	-161.7	174.1	4.8	108.9	L28 C32	L28-R30 PolarHBondContact O-N 3.4Å; R30-C32 PolarHBondContact O-N 3.23Å
31	N	36.3	Very low	46.2	Very low	139 Å²	139	152 Å²	152	74%	0.743	78%	0.778	S	S	*	*			trans	-52.4	126	178.4	-63.1	21.4	0	0	0	110.5
32	C	36.8	Very low	47.1	Very low	116 Å²	116	147.3 Å²	147.3	78%	0.784	77%	0.769	S	S	*	*			trans	-102.8	22.7	172.4	51.3	0	0	0	0	112.5	R30 T34	R30-C32 PolarHBondContact O-N 3.23Å; C32-T34 PolarHBondContact O-N 3.12Å
33	N	36.6	Very low	47.6	Very low	151 Å²	151	140.2 Å²	140.2	81%	0.807	75%	0.745	S	S	*	*			trans	-78.1	75.3	167.1	-67.1	41.7	0	0	0	109
34	T	40.3	Very low	48.1	Very low	124 Å²	124	131.1 Å²	131.1	76%	0.761	72%	0.715	S	S	*	*			trans	-106.8	106.6	161.4	-56	0	0	0	0	106.6	C32 A36	C32-T34 PolarHBondContact O-N 3.12Å; T34-A36 PolarHBondContact O-N 2.99Å
35	E	39.8	Very low	48.3	Very low	178 Å²	178	122.6 Å²	122.6	83%	0.832	69%	0.69	S	S	*	*			trans	-60.1	123.2	176.1	-63.5	179.8	142.4	0	0	108.9	S37	E35-S37 PolarHBondContact O-N 2.85Å
36	A	44.6	Very low	48.9	Very low	103 Å²	103	121.7 Å²	121.7	85%	0.851	69%	0.69	S	S	*	*			trans	-74.9	56.5	178.1	0	0	0	0	0	111.2	T34 A38	T34-A36 PolarHBondContact O-N 2.99Å; A36-A38 PolarHBondContact O-N 3.28Å
37	S	45.6	Very low	49.3	Very low	98 Å²	98	121 Å²	121	69%	0.685	69%	0.687	S	S	*	*			trans	-50.5	131.8	156.3	62.2	0	0	0	0	107.9	E35 S39	E35-S37 PolarHBondContact O-N 2.85Å; S37-S39 VanDerWaalsContact C-N 3.29Å; S37-S39 PolarHBondContact O-N 2.98Å
38	A	49.4	Very low	50.3	Low	104 Å²	104	121 Å²	121	86%	0.86	67%	0.674	S	S	*	*			trans	-69.6	84.4	-167.1	0	0	0	0	0	111.4	A36 E40	A36-A38 PolarHBondContact O-N 3.28Å; A38-E40 PolarHBondContact O-N 3.04Å; A38-E40 VanDerWaalsContact O-N 3.12Å
39	S	51.9	Low	51.1	Low	107 Å²	107	116.1 Å²	116.1	75%	0.748	65%	0.651	S	S	*	*			trans	-62.1	113.7	171.5	59.2	0	0	0	0	108.3	S37 S41	S37-S39 VanDerWaalsContact C-N 3.29Å; S37-S39 PolarHBondContact O-N 2.98Å; S39-S41 PolarHBondContact O-N 3.28Å
40	E	57.2	Low	52.6	Low	150 Å²	150	113.7 Å²	113.7	70%	0.701	64%	0.636	S	S	*	*			trans	-48.1	128.8	179.3	-168.7	-177.9	132.7	0	0	110.5	A38 T44	A38-E40 PolarHBondContact O-N 3.04Å; A38-E40 VanDerWaalsContact O-N 3.12Å; E40-T44 HydrophobicContact CG-CG2 3.51Å; E40-T44 WeakPolarHBondContact OE1-CB 3.48Å; E40-T44 WeakPolarHBondContact OE1-CG2 3.31Å; E40-T44 PolarHBondContact OE1-OG1 2.94Å
41	S	61.1	Low	54.4	Low	30 Å²	30	108.2 Å²	108.2	21%	0.21	62%	0.62	C	S	.	*			trans	-52.1	137.8	-169	176.6	0	0	0	0	111.2	S39 F43 T44	S39-S41 PolarHBondContact O-N 3.28Å; S41-F43 PolarHBondContact O-N 2.86Å; S41-T44 PolarHBondContact O-N 3.35Å; S41-T44 PolarHBondContact O-OG1 3.46Å
42	P	63.7	Low	56.8	Low	106 Å²	106	106.4 Å²	106.4	69%	0.688	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-8.6	179.8	25.1	-34.6	0	0	0	113.9
43	F	57.3	Low	59.3	Low	108 Å²	108	103.5 Å²	103.5	47%	0.474	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.3	15.2	174.2	-60.5	-81.8	0	0	0	114.5	S41 P45 R180 Y183	S41-F43 PolarHBondContact O-N 2.86Å; F43-P45 WeakPolarHBondContact O-CD 3.34Å; F43-R180 HydrophobicContact CB-CG 4.42Å; F43-Y183 AromaticContact CD2-CD1 3.86Å; F43-Y183 HydrophobicContact CD2-CD1 3.86Å; F43-Y183 HydrophobicContact CD2-CD2 4.37Å; F43-Y183 HydrophobicContact CD2-CE1 4.12Å; F43-Y183 HydrophobicContact CD2-CG 4Å; F43-Y183 AromaticContact CE2-CD1 3.71Å; F43-Y183 HydrophobicContact CE2-CD1 3.71Å; F43-Y183 AromaticContact CE2-CD2 3.51Å; F43-Y183 HydrophobicContact CE2-CD2 3.51Å; F43-Y183 AromaticContact CE2-CE1 3.76Å; F43-Y183 HydrophobicContact CE2-CE1 3.76Å; F43-Y183 AromaticContact CE2-CE2 3.56Å; F43-Y183 HydrophobicContact CE2-CE2 3.56Å; F43-Y183 AromaticContact CE2-CG 3.59Å; F43-Y183 HydrophobicContact CE2-CG 3.59Å; F43-Y183 AromaticContact CE2-CZ 3.69Å; F43-Y183 AromaticContact CZ-CD2 3.97Å; F43-Y183 HydrophobicContact CZ-CD2 3.97Å; F43-Y183 HydrophobicContact CZ-CE2 4.1Å; F43-Y183 HydrophobicContact CZ-CG 4.36Å
44	T	61.8	Low	62	Low	43 Å²	43	96.9 Å²	96.9	26%	0.264	55%	0.553	S	S	.	*	S	Bend	trans	-71.4	123.1	166.3	58.5	0	0	0	0	110.5	E40 S41 K46	E40-T44 HydrophobicContact CG-CG2 3.51Å; E40-T44 WeakPolarHBondContact OE1-CB 3.48Å; E40-T44 WeakPolarHBondContact OE1-CG2 3.31Å; E40-T44 PolarHBondContact OE1-OG1 2.94Å; S41-T44 PolarHBondContact O-N 3.35Å; S41-T44 PolarHBondContact O-OG1 3.46Å; T44-K46 PolarHBondContact O-N 3.48Å
45	P	58.5	Low	64.4	Low	49 Å²	49	95.2 Å²	95.2	32%	0.318	54%	0.535	S	S	.	.			trans	-71.9	104.6	-178.3	-16.9	31.5	0	0	0	109.9	F43 E47 L48 R180	F43-P45 WeakPolarHBondContact O-CD 3.34Å; P45-E47 PolarHBondContact O-N 3.39Å; P45-L48 PolarHBondContact O-N 2.89Å; P45-R180 VanDerWaalsContact CD-NH2 3.31Å
46	K	58.8	Low	67	Low	206 Å²	206	93.7 Å²	93.7	90%	0.896	52%	0.522	S	S	*	.	S	Bend	trans	-56.7	-20.7	176.2	-60.3	-176.2	-179.4	-177.9	0	113.4	T44	T44-K46 PolarHBondContact O-N 3.48Å
47	E	59.8	Low	69.3	Low	146 Å²	146	95.2 Å²	95.2	68%	0.682	51%	0.506	S	S	*	.	S	Bend	trans	-122.9	83.4	170.4	-83.4	-83.7	145.7	0	0	108.7	P45 S49	P45-E47 PolarHBondContact O-N 3.39Å; E47-S49 PolarHBondContact O-N 3.05Å
48	L	61.8	Low	71.6	Confident	97 Å²	97	91.5 Å²	91.5	51%	0.508	48%	0.478	S	S	.	.			trans	-62.6	111.2	169.7	-166.4	79.5	0	0	0	108.1	P45 T50	P45-L48 PolarHBondContact O-N 2.89Å; L48-T50 PolarHBondContact O-N 2.7Å
49	S	64.2	Low	73.6	Confident	31 Å²	31	92.5 Å²	92.5	22%	0.217	46%	0.463	C	S	.	.			trans	-51.4	95.3	-169.5	165.4	0	0	0	0	112.2	E47 Q53 R57	E47-S49 PolarHBondContact O-N 3.05Å; S49-Q53 PolarHBondContact OG-OE1 3.33Å; S49-R57 PolarHBondContact OG-NH1 3.4Å
50	T	73.5	Confident	75.6	Confident	76 Å²	76	92.6 Å²	92.6	47%	0.466	45%	0.452	S	S	.	.			trans	-54.2	144.1	-169.1	62.4	0	0	0	0	111.6	L48 T52 Q53 L54	L48-T50 PolarHBondContact O-N 2.7Å; T50-T52 PolarHBondContact O-N 3.34Å; T50-Q53 WeakPolarHBondContact O-CA 3.34Å; T50-Q53 WeakPolarHBondContact O-CB 3.39Å; T50-Q53 PolarHBondContact O-N 2.94Å; T50-Q53 WeakPolarHBondContact OG1-CB 3.29Å; T50-Q53 PolarHBondContact OG1-N 2.87Å; T50-L54 PolarHBondContact O-N 3.41Å
51	Q	82.6	Confident	77.3	Confident	111 Å²	111	88.8 Å²	88.8	52%	0.519	43%	0.434	S	S	.	.	H	α-helix	trans	-53.5	-32.8	-177.8	-168.3	178.5	93.8	0	0	112.3	K55 T165 E169	Q51-K55 WeakPolarHBondContact O-CB 3.45Å; Q51-K55 PolarHBondContact O-N 3.01Å; Q51-T165 HydrophobicContact CG-CG2 3.8Å; Q51-E169 PolarHBondContact NE2-OE2 3.34Å
52	T	86.7	Confident	78.8	Confident	101 Å²	101	90.4 Å²	90.4	62%	0.62	44%	0.44	S	S	*	.	H	α-helix	trans	-64.1	-44	171.7	-57.5	0	0	0	0	113.3	T50 R56	T50-T52 PolarHBondContact O-N 3.34Å; T52-R56 WeakPolarHBondContact O-CB 3.4Å; T52-R56 PolarHBondContact O-N 2.97Å
53	Q	90	Very high	80.1	Confident	54 Å²	54	91.9 Å²	91.9	25%	0.252	44%	0.435	S	S	.	.	H	α-helix	trans	-66.7	-43.1	175.3	-171.3	-171.1	91.2	0	0	111.3	S49 T50 R56 R57	S49-Q53 PolarHBondContact OG-OE1 3.33Å; T50-Q53 WeakPolarHBondContact O-CA 3.34Å; T50-Q53 WeakPolarHBondContact O-CB 3.39Å; T50-Q53 PolarHBondContact O-N 2.94Å; T50-Q53 WeakPolarHBondContact OG1-CB 3.29Å; T50-Q53 PolarHBondContact OG1-N 2.87Å; Q53-R56 WeakPolarHBondContact O-CB 3.32Å; Q53-R56 PolarHBondContact O-N 3.33Å; Q53-R57 PolarHBondContact O-N 3.31Å; Q53-R57 VanDerWaalsContact OE1-NH2 3.09Å
54	L	92.4	Very high	81.8	Confident	12 Å²	12	91.6 Å²	91.6	6%	0.063	43%	0.431	C	S	.	.	H	α-helix	trans	-63.2	-48.7	177.5	-177.4	59.1	0	0	0	111.5	T50 R56 R57 I58 T165 C168 E169 I172	T50-L54 PolarHBondContact O-N 3.41Å; L54-R56 PolarHBondContact O-N 3.26Å; L54-R57 PolarHBondContact O-N 2.95Å; L54-I58 HydrophobicContact CD1-CD1 3.98Å; L54-I58 HydrophobicContact CD1-CG1 4.34Å; L54-I58 HydrophobicContact CG-CD1 3.84Å; L54-I58 WeakPolarHBondContact O-CG1 3.45Å; L54-I58 PolarHBondContact O-N 3.09Å; L54-T165 HydrophobicContact CB-CG2 4.37Å; L54-T165 HydrophobicContact CD2-CG2 4.09Å; L54-T165 WeakPolarHBondContact CD2-O 3.47Å; L54-T165 HydrophobicContact CG-CG2 4.11Å; L54-C168 HydrophobicContact CD1-CB 4.18Å; L54-C168 HydrophobicContact CD2-CB 4.12Å; L54-C168 HydrophobicContact CG-CB 4.5Å; L54-E169 HydrophobicContact CD2-CB 3.71Å; L54-E169 HydrophobicContact CD2-CG 4.21Å; L54-I172 HydrophobicContact CD1-CD1 4.14Å
55	K	92.2	Very high	83.3	Confident	90 Å²	90	91.5 Å²	91.5	39%	0.391	43%	0.428	S	S	.	.	H	α-helix	trans	-58.7	-32.9	174.2	-173.7	175.6	-176.2	174.7	0	112.7	Q51 K59 L161 T165	Q51-K55 WeakPolarHBondContact O-CB 3.45Å; Q51-K55 PolarHBondContact O-N 3.01Å; K55-K59 WeakPolarHBondContact O-CG 3.48Å; K55-K59 PolarHBondContact O-N 2.68Å; K55-L161 HydrophobicContact CG-CD2 4.21Å; K55-T165 HydrophobicContact CB-CG2 4.04Å
56	R	93	Very high	84.8	Confident	146 Å²	146	91.5 Å²	91.5	55%	0.551	42%	0.424	S	S	*	.	H	α-helix	trans	-67.5	-54.6	172.5	-174.6	-170.3	-60	164.4	1.1	111	T52 Q53 L54 I58 K59 E60	T52-R56 WeakPolarHBondContact O-CB 3.4Å; T52-R56 PolarHBondContact O-N 2.97Å; Q53-R56 WeakPolarHBondContact O-CB 3.32Å; Q53-R56 PolarHBondContact O-N 3.33Å; L54-R56 PolarHBondContact O-N 3.26Å; R56-I58 VanDerWaalsContact C-N 3.33Å; R56-I58 PolarHBondContact O-N 3.32Å; R56-K59 WeakPolarHBondContact O-CB 3.49Å; R56-K59 PolarHBondContact O-N 3.48Å; R56-K59 VanDerWaalsContact O-N 3.15Å; R56-E60 WeakPolarHBondContact CD-OE1 3.4Å; R56-E60 WeakPolarHBondContact CG-OE1 3.42Å; R56-E60 WeakPolarHBondContact O-CG 3.2Å; R56-E60 PolarHBondContact O-N 2.88Å
57	R	92.9	Very high	86.3	Confident	134 Å²	134	89 Å²	89	51%	0.506	41%	0.409	S	S	.	.	H	α-helix	trans	-54.8	-46.2	178.1	-73.8	-177.4	177.7	130.8	3.8	111.9	S49 Q53 L54 K59 E60 E61	S49-R57 PolarHBondContact OG-NH1 3.4Å; Q53-R57 PolarHBondContact O-N 3.31Å; Q53-R57 VanDerWaalsContact OE1-NH2 3.09Å; L54-R57 PolarHBondContact O-N 2.95Å; R57-K59 PolarHBondContact O-N 3.38Å; R57-E60 PolarHBondContact O-N 3.45Å; R57-E61 VanDerWaalsContact O-CB 3.31Å; R57-E61 WeakPolarHBondContact O-CB 3.31Å; R57-E61 PolarHBondContact O-N 3.46Å
58	I	93.9	Very high	87.9	Confident	21 Å²	21	89.2 Å²	89.2	11%	0.108	40%	0.404	C	S	.	.	H	α-helix	trans	-61.9	-43.1	178.9	-66	164.5	0	0	0	111.3	L54 R56 E61 I62 L161 V164 T165 C168	L54-I58 HydrophobicContact CD1-CD1 3.98Å; L54-I58 HydrophobicContact CD1-CG1 4.34Å; L54-I58 HydrophobicContact CG-CD1 3.84Å; L54-I58 WeakPolarHBondContact O-CG1 3.45Å; L54-I58 PolarHBondContact O-N 3.09Å; R56-I58 VanDerWaalsContact C-N 3.33Å; R56-I58 PolarHBondContact O-N 3.32Å; I58-E61 PolarHBondContact O-N 3.15Å; I58-I62 HydrophobicContact CG2-CD1 3.76Å; I58-I62 HydrophobicContact CG2-CG1 4.45Å; I58-I62 WeakPolarHBondContact O-CB 3.28Å; I58-I62 VanDerWaalsContact O-CG1 3.28Å; I58-I62 WeakPolarHBondContact O-CG1 3.44Å; I58-I62 PolarHBondContact O-N 3.35Å; I58-L161 HydrophobicContact CB-CD1 4.24Å; I58-L161 HydrophobicContact CG2-CD1 3.53Å; I58-V164 HydrophobicContact CD1-CG1 4.4Å; I58-V164 HydrophobicContact CG2-CG1 4.02Å; I58-T165 HydrophobicContact CD1-CG2 4.44Å; I58-C168 HydrophobicContact CD1-CB 4.1Å
59	K	92.8	Very high	89.2	Confident	124 Å²	124	95.4 Å²	95.4	54%	0.539	42%	0.42	S	S	.	.	H	α-helix	trans	-61.7	-45.1	174.5	-81.3	-175	172.6	-167	0	112.4	K55 R56 R57 E61 K63 L161	K55-K59 WeakPolarHBondContact O-CG 3.48Å; K55-K59 PolarHBondContact O-N 2.68Å; R56-K59 WeakPolarHBondContact O-CB 3.49Å; R56-K59 PolarHBondContact O-N 3.48Å; R56-K59 VanDerWaalsContact O-N 3.15Å; R57-K59 PolarHBondContact O-N 3.38Å; K59-E61 VanDerWaalsContact C-N 3.33Å; K59-K63 WeakPolarHBondContact O-CB 3.39Å; K59-K63 PolarHBondContact O-N 2.92Å; K59-L161 HydrophobicContact CD-CD2 4.04Å; K59-L161 HydrophobicContact CG-CD1 4.4Å; K59-L161 HydrophobicContact CG-CD2 3.63Å
60	E	93.9	Very high	90.4	Very high	110 Å²	110	98.6 Å²	98.6	51%	0.514	44%	0.435	S	S	.	.	H	α-helix	trans	-64.2	-40.1	-179.9	-73.4	165.5	-179.8	0	0	111.4	R56 R57 K63 R64	R56-E60 WeakPolarHBondContact CD-OE1 3.4Å; R56-E60 WeakPolarHBondContact CG-OE1 3.42Å; R56-E60 WeakPolarHBondContact O-CG 3.2Å; R56-E60 PolarHBondContact O-N 2.88Å; R57-E60 PolarHBondContact O-N 3.45Å; E60-K63 CarbonylContact O-C 3.47Å; E60-K63 PolarHBondContact O-N 2.93Å; E60-R64 WeakPolarHBondContact O-CB 3.41Å; E60-R64 PolarHBondContact O-N 2.97Å
61	E	93.3	Very high	90.9	Very high	70 Å²	70	97.8 Å²	97.8	33%	0.327	43%	0.426	S	S	.	.	H	α-helix	trans	-69.4	-47.1	178.1	-177.6	55.6	-160.6	0	0	112.4	R57 I58 K59 K63 R64 L65	R57-E61 VanDerWaalsContact O-CB 3.31Å; R57-E61 WeakPolarHBondContact O-CB 3.31Å; R57-E61 PolarHBondContact O-N 3.46Å; I58-E61 PolarHBondContact O-N 3.15Å; K59-E61 VanDerWaalsContact C-N 3.33Å; E61-K63 VanDerWaalsContact C-N 3.27Å; E61-K63 PolarHBondContact O-N 3.23Å; E61-R64 CarbonylContact O-C 3.58Å; E61-R64 WeakPolarHBondContact O-CA 3.4Å; E61-R64 VanDerWaalsContact O-CB 3.29Å; E61-R64 WeakPolarHBondContact O-CB 3.08Å; E61-R64 PolarHBondContact O-N 3.2Å; E61-R64 IonicContact OE1-CZ 3.43Å; E61-R64 IonicContact OE1-NE 3.34Å; E61-R64 PolarHBondContact OE1-NE 3.04Å; E61-R64 IonicContact OE1-NH2 2.68Å; E61-R64 PolarHBondContact OE1-NH2 2.8Å; E61-R64 IonicContact OE2-CZ 3.37Å; E61-R64 IonicContact OE2-NE 2.7Å; E61-R64 PolarHBondContact OE2-NE 3.39Å; E61-R64 IonicContact OE2-NH2 3.32Å; E61-R64 PolarHBondContact OE2-NH2 3.06Å; E61-L65 HydrophobicContact CG-CD1 4.34Å; E61-L65 WeakPolarHBondContact O-CG 3.46Å; E61-L65 PolarHBondContact O-N 3.26Å
62	I	91	Very high	90.7	Very high	64 Å²	64	96.9 Å²	96.9	33%	0.328	43%	0.43	S	S	.	.	H	α-helix	trans	-54.8	-46.5	171.4	-71.8	166.9	0	0	0	110	I58 R64 L65 Q66 I71	I58-I62 HydrophobicContact CG2-CD1 3.76Å; I58-I62 HydrophobicContact CG2-CG1 4.45Å; I58-I62 WeakPolarHBondContact O-CB 3.28Å; I58-I62 VanDerWaalsContact O-CG1 3.28Å; I58-I62 WeakPolarHBondContact O-CG1 3.44Å; I58-I62 PolarHBondContact O-N 3.35Å; I62-R64 VanDerWaalsContact C-N 3.26Å; I62-R64 PolarHBondContact O-N 3.25Å; I62-L65 PolarHBondContact O-N 2.68Å; I62-Q66 WeakPolarHBondContact O-CB 3.4Å; I62-Q66 WeakPolarHBondContact O-CG 3.4Å; I62-Q66 PolarHBondContact O-N 3.19Å; I62-I71 HydrophobicContact CG2-CD1 4.13Å
63	K	91	Very high	90.1	Very high	136 Å²	136	99.1 Å²	99.1	59%	0.591	43%	0.428	S	S	*	.	H	α-helix	trans	-64	-29.8	176.6	-158.7	-173.2	179.5	179.1	0	111.8	K59 E60 E61 R67	K59-K63 WeakPolarHBondContact O-CB 3.39Å; K59-K63 PolarHBondContact O-N 2.92Å; E60-K63 CarbonylContact O-C 3.47Å; E60-K63 PolarHBondContact O-N 2.93Å; E61-K63 VanDerWaalsContact C-N 3.27Å; E61-K63 PolarHBondContact O-N 3.23Å; K63-R67 WeakPolarHBondContact O-CG 3.43Å; K63-R67 PolarHBondContact O-N 2.91Å; K63-R67 PolarHBondContact O-NH1 3.01Å
64	R	94.6	Very high	89	Confident	103 Å²	103	102.4 Å²	102.4	39%	0.389	44%	0.441	S	S	.	.	H	α-helix	trans	-71.7	-48.4	175.5	-169.8	-175.5	73.5	117.6	-1.5	111.1	E60 E61 I62 Q66 R67 R68	E60-R64 WeakPolarHBondContact O-CB 3.41Å; E60-R64 PolarHBondContact O-N 2.97Å; E61-R64 CarbonylContact O-C 3.58Å; E61-R64 WeakPolarHBondContact O-CA 3.4Å; E61-R64 VanDerWaalsContact O-CB 3.29Å; E61-R64 WeakPolarHBondContact O-CB 3.08Å; E61-R64 PolarHBondContact O-N 3.2Å; E61-R64 IonicContact OE1-CZ 3.43Å; E61-R64 IonicContact OE1-NE 3.34Å; E61-R64 PolarHBondContact OE1-NE 3.04Å; E61-R64 IonicContact OE1-NH2 2.68Å; E61-R64 PolarHBondContact OE1-NH2 2.8Å; E61-R64 IonicContact OE2-CZ 3.37Å; E61-R64 IonicContact OE2-NE 2.7Å; E61-R64 PolarHBondContact OE2-NE 3.39Å; E61-R64 IonicContact OE2-NH2 3.32Å; E61-R64 PolarHBondContact OE2-NH2 3.06Å; I62-R64 VanDerWaalsContact C-N 3.26Å; I62-R64 PolarHBondContact O-N 3.25Å; R64-Q66 PolarHBondContact O-N 3.28Å; R64-R67 WeakPolarHBondContact O-CB 3.33Å; R64-R67 PolarHBondContact O-N 3.45Å; R64-R67 VanDerWaalsContact O-N 3.12Å; R64-R68 PolarHBondContact O-N 3.45Å
65	L	92.8	Very high	87.3	Confident	40 Å²	40	110.4 Å²	110.4	21%	0.209	48%	0.483	C	S	.	.	H	α-helix	trans	-62.3	-41.1	177.4	-62.9	173.6	0	0	0	111.5	E61 I62 R67 R68 R69 L70 I71	E61-L65 HydrophobicContact CG-CD1 4.34Å; E61-L65 WeakPolarHBondContact O-CG 3.46Å; E61-L65 PolarHBondContact O-N 3.26Å; I62-L65 PolarHBondContact O-N 2.68Å; L65-R67 VanDerWaalsContact C-N 3.32Å; L65-R67 PolarHBondContact O-N 3.24Å; L65-R68 CarbonylContact O-C 3.58Å; L65-R68 PolarHBondContact O-N 2.71Å; L65-R68 VanDerWaalsContact O-N 3.16Å; L65-R69 PolarHBondContact O-N 2.7Å; L65-L70 HydrophobicContact CB-CB 4.37Å; L65-L70 HydrophobicContact CD2-CB 4.16Å; L65-L70 HydrophobicContact CD2-CD1 3.78Å; L65-L70 PolarHBondContact O-N 3.47Å; L65-I71 HydrophobicContact CB-CD1 3.74Å; L65-I71 HydrophobicContact CB-CG1 3.75Å; L65-I71 HydrophobicContact CB-CG2 4.37Å; L65-I71 HydrophobicContact CD1-CD1 4.23Å; L65-I71 HydrophobicContact CD1-CG2 4.42Å
66	Q	89.7	Confident	85.5	Confident	50 Å²	50	109.8 Å²	109.8	23%	0.234	50%	0.502	C	S	.	.	H	α-helix	trans	-66.4	-25.2	173.2	-74.9	-179.7	-14.4	0	0	114.4	I62 R64 I71 P72 R73	I62-Q66 WeakPolarHBondContact O-CB 3.4Å; I62-Q66 WeakPolarHBondContact O-CG 3.4Å; I62-Q66 PolarHBondContact O-N 3.19Å; R64-Q66 PolarHBondContact O-N 3.28Å; Q66-I71 HydrophobicContact CG-CD1 4Å; Q66-I71 HydrophobicContact CG-CG1 3.71Å; Q66-P72 PolarHBondContact NE2-O 2.91Å; Q66-R73 HydrophobicContact CB-CG 4.02Å; Q66-R73 HydrophobicContact CG-CG 3.99Å; Q66-R73 PolarHBondContact O-NE 3.07Å; Q66-R73 PolarHBondContact O-NH2 3.01Å
67	R	91.4	Very high	83.5	Confident	152 Å²	152	105.3 Å²	105.3	57%	0.574	50%	0.501	S	S	*	.	H	α-helix	trans	-73.9	-42.1	168.8	-75.7	-171.4	-51.9	-85.3	16.2	111	K63 R64 L65 R69	K63-R67 WeakPolarHBondContact O-CG 3.43Å; K63-R67 PolarHBondContact O-N 2.91Å; K63-R67 PolarHBondContact O-NH1 3.01Å; R64-R67 WeakPolarHBondContact O-CB 3.33Å; R64-R67 PolarHBondContact O-N 3.45Å; R64-R67 VanDerWaalsContact O-N 3.12Å; L65-R67 VanDerWaalsContact C-N 3.32Å; L65-R67 PolarHBondContact O-N 3.24Å; R67-R69 PolarHBondContact O-N 3.48Å
68	R	93.3	Very high	81.2	Confident	152 Å²	152	105.1 Å²	105.1	57%	0.574	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-0.7	177.4	-64	-178.1	72.7	-165.7	3.1	114.7	R64 L65 L70	R64-R68 PolarHBondContact O-N 3.45Å; L65-R68 CarbonylContact O-C 3.58Å; L65-R68 PolarHBondContact O-N 2.71Å; L65-R68 VanDerWaalsContact O-N 3.16Å; R68-L70 HydrophobicContact CB-CD1 3.83Å; R68-L70 HydrophobicContact CB-CG 3.8Å; R68-L70 PolarHBondContact O-N 3Å
69	R	87.6	Confident	78.9	Confident	226 Å²	226	109.8 Å²	109.8	85%	0.853	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	24	-173.5	-52.3	-176.3	-177.4	-169.3	0.8	114.2	L65 R67	L65-R69 PolarHBondContact O-N 2.7Å; R67-R69 PolarHBondContact O-N 3.48Å
70	L	89	Confident	76.7	Confident	99 Å²	99	109.3 Å²	109.3	52%	0.518	56%	0.557	S	S	.	*	S	Bend	trans	-83.7	-17	-178.6	-66.6	174.6	0	0	0	113.7	L65 R68	L65-L70 HydrophobicContact CB-CB 4.37Å; L65-L70 HydrophobicContact CD2-CB 4.16Å; L65-L70 HydrophobicContact CD2-CD1 3.78Å; L65-L70 PolarHBondContact O-N 3.47Å; R68-L70 HydrophobicContact CB-CD1 3.83Å; R68-L70 HydrophobicContact CB-CG 3.8Å; R68-L70 PolarHBondContact O-N 3Å
71	I	84.3	Confident	74.3	Confident	58 Å²	58	108.5 Å²	108.5	30%	0.297	57%	0.569	S	S	.	*	S	Bend	trans	-136	149.9	170.3	62.6	-178.8	0	0	0	109.4	I62 L65 Q66	I62-I71 HydrophobicContact CG2-CD1 4.13Å; L65-I71 HydrophobicContact CB-CD1 3.74Å; L65-I71 HydrophobicContact CB-CG1 3.75Å; L65-I71 HydrophobicContact CB-CG2 4.37Å; L65-I71 HydrophobicContact CD1-CD1 4.23Å; L65-I71 HydrophobicContact CD1-CG2 4.42Å; Q66-I71 HydrophobicContact CG-CD1 4Å; Q66-I71 HydrophobicContact CG-CG1 3.71Å
72	P	79.6	Confident	72.1	Confident	92 Å²	92	112.6 Å²	112.6	60%	0.597	59%	0.591	S	S	*	*			trans	-54.9	145.8	173.9	-27	35.7	0	0	0	112.9	Q66 F74	Q66-P72 PolarHBondContact NE2-O 2.91Å; P72-F74 PolarHBondContact O-N 2.89Å
73	R	74.1	Confident	69.8	Low	149 Å²	149	113.5 Å²	113.5	56%	0.562	61%	0.608	S	S	*	*			trans	-87.5	94.8	164.2	-66.2	-177.9	-170.4	174.3	4.7	107.6	Q66 L75	Q66-R73 HydrophobicContact CB-CG 4.02Å; Q66-R73 HydrophobicContact CG-CG 3.99Å; Q66-R73 PolarHBondContact O-NE 3.07Å; Q66-R73 PolarHBondContact O-NH2 3.01Å; R73-L75 VanDerWaalsContact O-CD1 3.31Å; R73-L75 WeakPolarHBondContact O-CD1 3.46Å; R73-L75 PolarHBondContact O-N 2.98Å
74	F	66.5	Low	67.6	Low	123 Å²	123	111.4 Å²	111.4	54%	0.539	62%	0.617	S	S	.	*			trans	-57.3	111.3	168.7	-67.7	-84.9	0	0	0	108.8	P72 G76	P72-F74 PolarHBondContact O-N 2.89Å; F74-G76 PolarHBondContact O-N 2.76Å
75	L	57.3	Low	65.4	Low	179 Å²	179	112.8 Å²	112.8	94%	0.937	64%	0.637	S	S	*	*	S	Bend	trans	-78.9	46.2	-174.7	-68.2	110.4	0	0	0	112.4	R73	R73-L75 VanDerWaalsContact O-CD1 3.31Å; R73-L75 WeakPolarHBondContact O-CD1 3.46Å; R73-L75 PolarHBondContact O-N 2.98Å
76	G	53.6	Low	63.2	Low	77 Å²	77	120.1 Å²	120.1	79%	0.794	67%	0.667	S	S	*	*			trans	-105.2	5.9	-179	0	0	0	0	0	115	F74	F74-G76 PolarHBondContact O-N 2.76Å
77	G	51.1	Low	61	Low	52 Å²	52	121.9 Å²	121.9	54%	0.536	69%	0.69	S	S	.	*	S	Bend	trans	-108.1	134	174.9	0	0	0	0	0	110.7	T79	G77-T79 PolarHBondContact O-N 3.44Å
78	P	44.8	Very low	58.5	Low	131 Å²	131	118.2 Å²	118.2	85%	0.851	70%	0.7	S	S	*	*			trans	-67	106.2	179	27.4	-33.8	0	0	0	110.3
79	T	46.3	Very low	56.4	Low	119 Å²	119	119.1 Å²	119.1	73%	0.73	71%	0.71	S	S	*	*			trans	-64.9	126.3	157	47	0	0	0	0	107.8	G77 A81	G77-T79 PolarHBondContact O-N 3.44Å; T79-A81 PolarHBondContact O-N 3.45Å
80	P	46	Very low	54.3	Low	113 Å²	113	113.8 Å²	113.8	73%	0.734	70%	0.703	S	S	*	*			trans	-60.1	115.9	166.7	26	-32.2	0	0	0	107.4	I82	P80-I82 PolarHBondContact O-N 3.46Å
81	A	43.1	Very low	52.2	Low	93 Å²	93	117.7 Å²	117.7	77%	0.769	72%	0.716	S	S	*	*			trans	-72.7	94.9	-178	0	0	0	0	0	108.9	T79 A83	T79-A81 PolarHBondContact O-N 3.45Å; A81-A83 PolarHBondContact O-N 3.49Å
82	I	47	Very low	50.3	Low	157 Å²	157	121.1 Å²	121.1	81%	0.805	74%	0.735	S	S	*	*			trans	-72.7	83.8	171.6	-52.6	175.6	0	0	0	107.2	P80 A84	P80-I82 PolarHBondContact O-N 3.46Å; I82-A84 VanDerWaalsContact C-N 3.31Å; I82-A84 PolarHBondContact O-N 2.9Å
83	A	42.8	Very low	48.9	Very low	82 Å²	82	124.8 Å²	124.8	68%	0.678	74%	0.744	S	S	*	*			trans	-70.9	85.4	179.3	0	0	0	0	0	110.1	A81 T85	A81-A83 PolarHBondContact O-N 3.49Å; A83-T85 PolarHBondContact O-N 3.32Å
84	A	45.5	Very low	47.6	Very low	93 Å²	93	124.3 Å²	124.3	77%	0.769	75%	0.752	S	S	*	*			trans	-76.1	61.1	175.3	0	0	0	0	0	111.5	I82	I82-A84 VanDerWaalsContact C-N 3.31Å; I82-A84 PolarHBondContact O-N 2.9Å
85	T	47.8	Very low	46.7	Very low	132 Å²	132	124.1 Å²	124.1	81%	0.81	76%	0.761	S	S	*	*			trans	-77.6	121	172.8	-49.5	0	0	0	0	109.1	A83	A83-T85 PolarHBondContact O-N 3.32Å
86	F	45.9	Very low	46.5	Very low	193 Å²	193	121.9 Å²	121.9	85%	0.846	75%	0.754	S	S	*	*			trans	-134	144.7	178.8	-179.3	-101.5	0	0	0	111.7
87	A	44.2	Very low	46.5	Very low	87 Å²	87	123 Å²	123	72%	0.719	76%	0.756	S	S	*	*			trans	63.2	116.2	179.2	0	0	0	0	0	116.8
88	G	39	Very low	46.5	Very low	75 Å²	75	125.8 Å²	125.8	77%	0.773	77%	0.767	S	S	*	*			trans	171.2	62.3	176	0	0	0	0	0	116.8
89	H	49.1	Very low	46.9	Very low	172 Å²	172	125.8 Å²	125.8	80%	0.796	77%	0.769	S	S	*	*			trans	60	102.6	160.6	-90.4	-80.6	0	0	0	121.9
90	T	43	Very low	47.1	Very low	113 Å²	113	125.9 Å²	125.9	69%	0.693	78%	0.775	S	S	*	*				42.3	98.7	125.3	59.9	0	0	0	0	120
91	K	45.6	Very low	47.2	Very low	182 Å²	182	123.9 Å²	123.9	79%	0.791	78%	0.775	S	S	*	*				179.5	141	98	-101	-174	172.5	-164.4	0	114.2
92	D	44	Very low	47.8	Very low	130 Å²	130	124.6 Å²	124.6	70%	0.695	77%	0.774	S	S	*	*			trans	63.8	159.7	151.9	-45.7	-26.1	0	0	0	119.8
93	E	49.3	Very low	48.1	Very low	169 Å²	169	126.4 Å²	126.4	79%	0.79	78%	0.776	S	S	*	*			trans	63.4	87.8	175.8	-54.6	-47.7	96.5	0	0	122.5
94	N	47.2	Very low	48.8	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	79%	0.785	S	S	*	*				65.3	102.5	123.6	-147.3	15.5	0	0	0	122.5
95	V	48.5	Very low	49.4	Very low	119 Å²	119	134.5 Å²	134.5	72%	0.721	79%	0.787	S	S	*	*			trans	27.1	124.8	130.3	-167.9	0	0	0	0	117.8
96	V	52.9	Low	49.9	Very low	133 Å²	133	135.5 Å²	135.5	81%	0.806	78%	0.784	S	S	*	*				-156.5	162.7	56.7	-140.2	0	0	0	0	114.1
97	A	53.3	Low	50.3	Low	100 Å²	100	130.8 Å²	130.8	83%	0.826	78%	0.782	S	S	*	*			trans	74.7	132.1	149.7	0	0	0	0	0	120.2
98	S	50.2	Low	51.1	Low	111 Å²	111	134.1 Å²	134.1	78%	0.776	79%	0.786	S	S	*	*			trans	-148.2	149.8	178	175	0	0	0	0	110.3
99	C	53.9	Low	52	Low	130 Å²	130	142.3 Å²	142.3	88%	0.878	79%	0.794	S	S	*	*			trans	-142.5	141.1	159.6	61.1	0	0	0	0	110.4
100	S	49.8	Very low	51.9	Low	122 Å²	122	139.7 Å²	139.7	85%	0.853	80%	0.795	S	S	*	*			trans	-116.1	155.6	-163.3	-69	0	0	0	0	113.7
101	G	48.7	Very low	53	Low	71 Å²	71	140.2 Å²	140.2	73%	0.732	80%	0.8	S	S	*	*			trans	-170.8	69.6	176.4	0	0	0	0	0	112.2
102	S	56.7	Low	53.2	Low	108 Å²	108	137.8 Å²	137.8	76%	0.755	80%	0.801	S	S	*	*				82.3	96.2	89.7	-171.3	0	0	0	0	113.1
103	F	53.1	Low	53.5	Low	194 Å²	194	136.8 Å²	136.8	85%	0.851	80%	0.804	S	S	*	*			trans	-91	142.8	172.7	-60.4	-86.5	0	0	0	111
104	R	58	Low	53.7	Low	228 Å²	228	136 Å²	136	86%	0.86	81%	0.805	S	S	*	*			trans	-139.5	82.6	164.4	-76.8	-169.1	175.5	-114.8	1	111.6
105	S	58	Low	54.2	Low	117 Å²	117	133.5 Å²	133.5	82%	0.818	80%	0.799	S	S	*	*			trans	-87	106.9	159.8	33.8	0	0	0	0	109	A107	S105-A107 PolarHBondContact O-N 2.94Å
106	M	57.3	Low	54.8	Low	153 Å²	153	136.8 Å²	136.8	75%	0.754	81%	0.806	S	S	*	*			trans	-73.1	112	174.5	-73.9	-72.2	-71	0	0	109.9
107	A	54.8	Low	54.8	Low	95 Å²	95	137.5 Å²	137.5	79%	0.785	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-81.5	125.8	163.9	0	0	0	0	0	109.2	S105	S105-A107 PolarHBondContact O-N 2.94Å
108	L	61	Low	55.5	Low	157 Å²	157	137.1 Å²	137.1	82%	0.822	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-98.4	136.6	170	-66.5	178	0	0	0	109.4
109	R	57.6	Low	55.9	Low	246 Å²	246	138.2 Å²	138.2	93%	0.928	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.8	141.7	178.9	-75.3	172.1	153.2	-165.8	-7.4	111.2
110	S	47.1	Very low	56.4	Low	117 Å²	117	136.7 Å²	136.7	82%	0.818	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-86.7	134.2	159.7	41.1	0	0	0	0	111.2
111	P	65	Low	56.7	Low	124 Å²	124	137 Å²	137	81%	0.805	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-90.5	168	153.5	-5	25.2	0	0	0	111
112	T	51.2	Low	56.9	Low	131 Å²	131	141 Å²	141	80%	0.804	78%	0.777	S	S	*	*			trans	-108.1	152.7	-179.6	49	0	0	0	0	112.3
113	S	50.9	Low	56.9	Low	109 Å²	109	140.8 Å²	140.8	76%	0.762	78%	0.775	S	S	*	*			trans	37.2	129.3	155.8	-49.9	0	0	0	0	119.1
114	D	52.4	Low	56.8	Low	153 Å²	153	136.9 Å²	136.9	82%	0.818	77%	0.769	S	S	*	*				-162.6	169.7	71.5	-121.9	-39.4	0	0	0	115.9
115	S	58.5	Low	56.2	Low	86 Å²	86	132.4 Å²	132.4	60%	0.601	76%	0.761	S	S	*	*			trans	39.3	116.9	157.9	65.7	0	0	0	0	122.6
116	Q	60.3	Low	56	Low	187 Å²	187	137.1 Å²	137.1	87%	0.874	76%	0.761	S	S	*	*			trans	54.3	146.7	134.4	-65.5	165.5	-49.8	0	0	119.7
117	D	53.8	Low	55.6	Low	149 Å²	149	135.7 Å²	135.7	80%	0.797	76%	0.761	S	S	*	*			cis	-155.7	-175.1	29.9	-155.6	0.2	0	0	0	113.4
118	S	66.5	Low	55.2	Low	92 Å²	92	135.2 Å²	135.2	64%	0.643	75%	0.752	S	S	*	*			trans	-47.5	167.2	177.8	-100.1	0	0	0	0	118.8
119	D	59.3	Low	54.7	Low	133 Å²	133	135.9 Å²	135.9	71%	0.711	75%	0.751	S	S	*	*			cis	-156.3	-174	4.3	-136.1	-66	0	0	0	114
120	S	63.8	Low	54.2	Low	98 Å²	98	129.2 Å²	129.2	69%	0.685	74%	0.74	S	S	*	*			trans	-51.6	169.5	176.1	-42.8	0	0	0	0	116.3
121	D	55.8	Low	54.7	Low	128 Å²	128	131.6 Å²	131.6	68%	0.684	74%	0.741	S	S	*	*			cis	-161.3	-169.8	14.9	-151.7	10.7	0	0	0	108.6
122	Q	53.9	Low	53.7	Low	157 Å²	157	135 Å²	135	73%	0.734	74%	0.744	S	S	*	*			cis	-156.2	145.3	4.7	-166.1	169.5	102	0	0	113.7
123	S	56	Low	53.8	Low	103 Å²	103	137.6 Å²	137.6	72%	0.72	75%	0.747	S	S	*	*			trans	16.3	160.3	153.3	-57.5	0	0	0	0	126.6
124	P	51	Low	53.2	Low	112 Å²	112	140.7 Å²	140.7	73%	0.727	75%	0.747	S	S	*	*			trans	-107.3	-157.7	-175.4	44.2	-35.9	0	0	0	113.6
125	L	45.7	Very low	53.7	Low	133 Å²	133	140.2 Å²	140.2	70%	0.696	74%	0.743	S	S	*	*			trans	167.4	124.1	136.9	-87.6	156.3	0	0	0	117.1
126	R	54.5	Low	53.4	Low	217 Å²	217	144.4 Å²	144.4	82%	0.819	75%	0.754	S	S	*	*			trans	60.6	170.1	149.4	-44.3	-63.4	162.3	87.3	3.1	119.2
127	T	47.7	Very low	52.7	Low	123 Å²	123	142.9 Å²	142.9	76%	0.755	75%	0.751	S	S	*	*			cis	-142.7	146.3	1.5	37.7	0	0	0	0	107.8
128	S	46.6	Very low	52.8	Low	85 Å²	85	143.9 Å²	143.9	59%	0.594	76%	0.755	S	S	*	*			cis	67.6	123.2	48.2	71.4	0	0	0	0	116.7
129	E	50.9	Low	51.7	Low	171 Å²	171	144.4 Å²	144.4	80%	0.799	76%	0.759	S	S	*	*			cis	-161.1	171	-7.6	-95.6	-44.9	93.1	0	0	110.5
130	P	48.4	Very low	51.3	Low	106 Å²	106	145.1 Å²	145.1	69%	0.688	77%	0.768	S	S	*	*			trans	-97.3	168.4	-171	38.6	-36.7	0	0	0	116.8
131	I	56.3	Low	50.6	Low	166 Å²	166	143.7 Å²	143.7	85%	0.851	77%	0.768	S	S	*	*			trans	-132.3	140.5	178.5	-65.7	178.5	0	0	0	112.3
132	F	44.6	Very low	50.3	Low	195 Å²	195	143.1 Å²	143.1	86%	0.855	77%	0.774	S	S	*	*			trans	-98	154.1	175.7	-97	-101.8	0	0	0	112.8
133	Q	52.4	Low	50.1	Low	186 Å²	186	140 Å²	140	87%	0.869	77%	0.77	S	S	*	*			trans	-138.4	152.6	150.2	-74.4	-165.6	-12.7	0	0	110.9
134	K	39.9	Very low	50	Low	174 Å²	174	143.9 Å²	143.9	76%	0.757	78%	0.776	S	S	*	*			trans	-148.6	125	-171.3	173.8	-169.4	172.4	-172.8	0	110.8
135	L	61.8	Low	50.1	Low	143 Å²	143	144.6 Å²	144.6	75%	0.749	78%	0.784	S	S	*	*			trans	-141.8	154.5	168	-79.1	92.8	0	0	0	107.6
136	E	53.4	Low	50.3	Low	175 Å²	175	143.3 Å²	143.3	82%	0.818	79%	0.787	S	S	*	*			cis	-155.7	157.3	-32.5	-129.8	173.3	-177.7	0	0	107.3
137	N	44.3	Very low	50.1	Low	154 Å²	154	140.2 Å²	140.2	82%	0.824	79%	0.785	S	S	*	*			trans	-106.7	128.7	-169.8	-117.2	84.6	0	0	0	112
138	I	57	Low	50.3	Low	170 Å²	170	144 Å²	144	87%	0.872	79%	0.791	S	S	*	*			trans	-112.3	140.6	166.3	-62.5	179.1	0	0	0	108.4
139	S	41.6	Very low	50.4	Low	104 Å²	104	144.2 Å²	144.2	73%	0.727	79%	0.791	S	S	*	*			trans	-142.8	117	-164.1	166	0	0	0	0	113.8
140	V	52	Low	49.9	Very low	148 Å²	148	142.9 Å²	142.9	90%	0.897	79%	0.794	S	S	*	*			trans	-153.2	139.3	157.2	-81.1	0	0	0	0	107.4
141	G	48.4	Very low	50.2	Low	68 Å²	68	144.7 Å²	144.7	70%	0.701	79%	0.793	S	S	*	*			cis	-178	-173.4	-7.5	0	0	0	0	0	110.6
142	S	50	Low	49.8	Very low	115 Å²	115	141 Å²	141	80%	0.804	78%	0.779	S	S	*	*			trans	87.6	103.7	172.8	-153.3	0	0	0	0	119.4
143	S	48.8	Very low	50.5	Low	92 Å²	92	138 Å²	138	64%	0.643	77%	0.771	S	S	*	*				78.7	106	126.1	-52.8	0	0	0	0	123.4
144	Q	54.9	Low	50.9	Low	184 Å²	184	135.6 Å²	135.6	86%	0.86	76%	0.764	S	S	*	*				62.2	97.6	129.5	-56	-178.5	22.6	0	0	120.3
145	S	52.9	Low	52.2	Low	128 Å²	128	130.2 Å²	130.2	90%	0.895	75%	0.748	S	S	*	*				-178.2	166.6	114.7	43.5	0	0	0	0	113.7
146	S	49.7	Very low	52.6	Low	106 Å²	106	130.5 Å²	130.5	74%	0.741	75%	0.747	S	S	*	*			trans	-29.9	131.1	-172	-62.3	0	0	0	0	122.1
147	L	50.8	Low	53.7	Low	152 Å²	152	125.4 Å²	125.4	80%	0.796	73%	0.729	S	S	*	*				54.6	98.9	125.3	-56.2	170.9	0	0	0	120.3
148	K	51.2	Low	55.6	Low	201 Å²	201	125.1 Å²	125.1	87%	0.874	73%	0.726	S	S	*	*			trans	53.4	136.7	138.8	-68.6	-175.5	-179.3	-178.6	0	119.2
149	P	49.2	Very low	56.9	Low	90 Å²	90	122.6 Å²	122.6	58%	0.584	71%	0.709	S	S	*	*			cis	-130.8	175.2	41.8	41.1	-27.7	0	0	0	116	H151	P149-H151 PolarHBondContact O-CD2 3.04Å; P149-H151 PolarHBondContact O-N 3.41Å; P149-H151 VanDerWaalsContact O-N 3.09Å
150	T	40.5	Very low	59.2	Low	143 Å²	143	121 Å²	121	88%	0.877	70%	0.695	S	S	*	*			trans	-70.6	93	171.7	46.7	0	0	0	0	111	T152	T150-T152 PolarHBondContact O-N 3.42Å
151	H	54	Low	61	Low	144 Å²	144	116.1 Å²	116.1	67%	0.667	66%	0.664	S	S	*	*			trans	-72.6	119.6	167.3	-69.5	-78.9	0	0	0	109.9	P149 I153	P149-H151 PolarHBondContact O-CD2 3.04Å; P149-H151 PolarHBondContact O-N 3.41Å; P149-H151 VanDerWaalsContact O-N 3.09Å; H151-I153 PolarHBondContact O-N 2.93Å
152	T	49.2	Very low	63.1	Low	90 Å²	90	116.7 Å²	116.7	55%	0.552	66%	0.655	S	S	*	*			trans	-55.7	121.4	170	42.3	0	0	0	0	109.5	T150 D154 S155	T150-T152 PolarHBondContact O-N 3.42Å; T152-D154 PolarHBondContact O-N 3.04Å; T152-S155 WeakPolarHBondContact O-CB 3.47Å; T152-S155 PolarHBondContact O-N 3.36Å; T152-S155 PolarHBondContact O-OG 2.88Å; T152-S155 PolarHBondContact OG1-OG 3.38Å
153	I	58.4	Low	65.1	Low	132 Å²	132	116 Å²	116	68%	0.677	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-55	-28.8	-177.6	53.4	177.2	0	0	0	112.6	H151 S155	H151-I153 PolarHBondContact O-N 2.93Å; I153-S155 PolarHBondContact O-N 3.06Å
154	D	61.7	Low	67.3	Low	135 Å²	135	113.5 Å²	113.5	72%	0.722	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-72.9	-11.7	-179.8	-38.4	-78	0	0	0	113.9	T152	T152-D154 PolarHBondContact O-N 3.04Å
155	S	66	Low	69.1	Low	61 Å²	61	104.9 Å²	104.9	43%	0.427	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-89.6	-17.3	-179.8	68.8	0	0	0	0	114.2	T152 I153	T152-S155 WeakPolarHBondContact O-CB 3.47Å; T152-S155 PolarHBondContact O-N 3.36Å; T152-S155 PolarHBondContact O-OG 2.88Å; T152-S155 PolarHBondContact OG1-OG 3.38Å; I153-S155 PolarHBondContact O-N 3.06Å
156	M	70	Confident	71.1	Confident	148 Å²	148	101.2 Å²	101.2	73%	0.729	56%	0.557	S	S	*	*	S	Bend	trans	-89.5	129.2	-178	-166.3	157.5	75.1	0	0	110.4	I158	M156-I158 PolarHBondContact O-N 3.03Å
157	P	77.4	Confident	73.2	Confident	69 Å²	69	98.8 Å²	98.8	45%	0.448	54%	0.536	S	S	.	.			trans	-64.4	120.6	178.4	25.5	-34.3	0	0	0	110.8	F159	P157-F159 PolarHBondContact O-N 2.67Å; P157-F159 VanDerWaalsContact O-N 3.07Å
158	I	82.9	Confident	75.4	Confident	148 Å²	148	93.4 Å²	93.4	76%	0.759	51%	0.511	S	S	*	.	S	Bend	trans	-51.9	-34.4	-177.7	-57.7	172.7	0	0	0	112.1	M156	M156-I158 PolarHBondContact O-N 3.03Å
159	F	84.7	Confident	77.4	Confident	116 Å²	116	86 Å²	86	51%	0.509	48%	0.479	S	S	.	.	S	Bend	trans	-128.7	132.3	175.4	-58.8	-69.2	0	0	0	111.7	P157 Q163 V164	P157-F159 PolarHBondContact O-N 2.67Å; P157-F159 VanDerWaalsContact O-N 3.07Å; F159-Q163 HydrophobicContact CB-CB 4.47Å; F159-Q163 HydrophobicContact CD1-CB 4.41Å; F159-V164 HydrophobicContact CB-CG2 3.56Å; F159-V164 HydrophobicContact CG-CG2 4.47Å
160	T	90.5	Very high	79.5	Confident	70 Å²	70	88.1 Å²	88.1	43%	0.429	48%	0.475	S	S	.	.			trans	-75	155.5	166.6	65.7	0	0	0	0	110.8	P162 Q163 V164	T160-P162 VanDerWaalsContact C-CD 3.5Å; T160-P162 VanDerWaalsContact C-N 3.34Å; T160-Q163 WeakPolarHBondContact O-CB 3.4Å; T160-Q163 PolarHBondContact O-N 3.33Å; T160-Q163 WeakPolarHBondContact OG1-CG 3.2Å; T160-Q163 PolarHBondContact OG1-OE1 2.63Å; T160-V164 PolarHBondContact O-N 3.43Å
161	L	90.6	Very high	82.1	Confident	46 Å²	46	85.2 Å²	85.2	24%	0.241	45%	0.454	C	S	.	.	H	α-helix	trans	-54.5	-39.3	179.2	177.9	66.6	0	0	0	114.2	K55 I58 K59 V164 T165	K55-L161 HydrophobicContact CG-CD2 4.21Å; I58-L161 HydrophobicContact CB-CD1 4.24Å; I58-L161 HydrophobicContact CG2-CD1 3.53Å; K59-L161 HydrophobicContact CD-CD2 4.04Å; K59-L161 HydrophobicContact CG-CD1 4.4Å; K59-L161 HydrophobicContact CG-CD2 3.63Å; L161-V164 PolarHBondContact O-N 2.86Å; L161-T165 WeakPolarHBondContact O-CB 3.43Å; L161-T165 PolarHBondContact O-N 2.86Å; L161-T165 PolarHBondContact O-OG1 3.34Å
162	P	91.4	Very high	84	Confident	81 Å²	81	81.7 Å²	81.7	53%	0.526	44%	0.439	S	S	.	.	H	α-helix	trans	-59.3	-43.8	172.2	-25.8	36.1	0	0	0	113.3	T160 T165 A166	T160-P162 VanDerWaalsContact C-CD 3.5Å; T160-P162 VanDerWaalsContact C-N 3.34Å; P162-T165 PolarHBondContact O-N 3.11Å; P162-A166 PolarHBondContact O-N 3.31Å
163	Q	92.7	Very high	86	Confident	100 Å²	100	81.5 Å²	81.5	47%	0.467	43%	0.431	S	S	.	.	H	α-helix	trans	-63.6	-44	177.2	-70.5	162.9	-50.8	0	0	111.7	F159 T160 T165 A166 L167	F159-Q163 HydrophobicContact CB-CB 4.47Å; F159-Q163 HydrophobicContact CD1-CB 4.41Å; T160-Q163 WeakPolarHBondContact O-CB 3.4Å; T160-Q163 PolarHBondContact O-N 3.33Å; T160-Q163 WeakPolarHBondContact OG1-CG 3.2Å; T160-Q163 PolarHBondContact OG1-OE1 2.63Å; Q163-T165 VanDerWaalsContact C-N 3.31Å; Q163-T165 PolarHBondContact O-N 2.97Å; Q163-A166 PolarHBondContact O-N 3.27Å; Q163-L167 VanDerWaalsContact O-CB 3.29Å; Q163-L167 WeakPolarHBondContact O-CB 3.29Å; Q163-L167 PolarHBondContact O-N 2.76Å
164	V	94.7	Very high	87.8	Confident	39 Å²	39	79.6 Å²	79.6	24%	0.236	42%	0.419	C	S	.	.	H	α-helix	trans	-62	-40.6	174.6	-177.9	0	0	0	0	111	I58 F159 T160 L161 L167 C168	I58-V164 HydrophobicContact CD1-CG1 4.4Å; I58-V164 HydrophobicContact CG2-CG1 4.02Å; F159-V164 HydrophobicContact CB-CG2 3.56Å; F159-V164 HydrophobicContact CG-CG2 4.47Å; T160-V164 PolarHBondContact O-N 3.43Å; L161-V164 PolarHBondContact O-N 2.86Å; V164-L167 PolarHBondContact O-N 3.09Å; V164-C168 WeakPolarHBondContact O-CB 3.48Å; V164-C168 PolarHBondContact O-N 3.01Å; V164-C168 PolarHBondContact O-SG 2.74Å; V164-C168 VanDerWaalsContact O-SG 3.32Å
165	T	93.6	Very high	89.3	Confident	3 Å²	3	80.5 Å²	80.5	2%	0.018	41%	0.412	C	S	.	.	H	α-helix	trans	-62	-48.7	177.6	-52.3	0	0	0	0	110.9	Q51 L54 K55 I58 L161 P162 Q163 C168 E169	Q51-T165 HydrophobicContact CG-CG2 3.8Å; L54-T165 HydrophobicContact CB-CG2 4.37Å; L54-T165 HydrophobicContact CD2-CG2 4.09Å; L54-T165 WeakPolarHBondContact CD2-O 3.47Å; L54-T165 HydrophobicContact CG-CG2 4.11Å; K55-T165 HydrophobicContact CB-CG2 4.04Å; I58-T165 HydrophobicContact CD1-CG2 4.44Å; L161-T165 WeakPolarHBondContact O-CB 3.43Å; L161-T165 PolarHBondContact O-N 2.86Å; L161-T165 PolarHBondContact O-OG1 3.34Å; P162-T165 PolarHBondContact O-N 3.11Å; Q163-T165 VanDerWaalsContact C-N 3.31Å; Q163-T165 PolarHBondContact O-N 2.97Å; T165-C168 PolarHBondContact O-N 2.91Å; T165-E169 WeakPolarHBondContact O-CB 3.37Å; T165-E169 PolarHBondContact O-N 2.83Å
166	A	93.3	Very high	90.6	Very high	51 Å²	51	79.8 Å²	79.8	42%	0.421	40%	0.402	S	S	.	.	H	α-helix	trans	-66.8	-35.2	178.6	0	0	0	0	0	113.2	P162 Q163 E169 R170	P162-A166 PolarHBondContact O-N 3.31Å; Q163-A166 PolarHBondContact O-N 3.27Å; A166-E169 PolarHBondContact O-N 3.36Å; A166-R170 WeakPolarHBondContact O-CB 3.5Å; A166-R170 PolarHBondContact O-N 3.4Å
167	L	95.5	Very high	91.6	Very high	56 Å²	56	75.1 Å²	75.1	29%	0.293	39%	0.387	S	S	.	.	H	α-helix	trans	-63.7	-49.2	173.8	175.9	60.9	0	0	0	111.2	Q163 V164 E169 R170 L171	Q163-L167 VanDerWaalsContact O-CB 3.29Å; Q163-L167 WeakPolarHBondContact O-CB 3.29Å; Q163-L167 PolarHBondContact O-N 2.76Å; V164-L167 PolarHBondContact O-N 3.09Å; L167-E169 VanDerWaalsContact C-N 3.34Å; L167-E169 PolarHBondContact O-N 3.28Å; L167-R170 VanDerWaalsContact CD1-NH2 3.35Å; L167-R170 PolarHBondContact O-N 3.17Å; L167-L171 HydrophobicContact CD1-CD1 3.84Å; L167-L171 HydrophobicContact CD1-CG 4.14Å; L167-L171 HydrophobicContact CG-CD1 3.9Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.31Å; L167-L171 PolarHBondContact O-N 3.01Å
168	C	95.2	Very high	92.4	Very high	39 Å²	39	75.3 Å²	75.3	26%	0.264	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-40.3	175.3	-68.1	0	0	0	0	112	L54 I58 V164 T165 R170 L171 I172	L54-C168 HydrophobicContact CD1-CB 4.18Å; L54-C168 HydrophobicContact CD2-CB 4.12Å; L54-C168 HydrophobicContact CG-CB 4.5Å; I58-C168 HydrophobicContact CD1-CB 4.1Å; V164-C168 WeakPolarHBondContact O-CB 3.48Å; V164-C168 PolarHBondContact O-N 3.01Å; V164-C168 PolarHBondContact O-SG 2.74Å; V164-C168 VanDerWaalsContact O-SG 3.32Å; T165-C168 PolarHBondContact O-N 2.91Å; C168-R170 VanDerWaalsContact C-N 3.33Å; C168-R170 PolarHBondContact O-N 2.61Å; C168-L171 PolarHBondContact O-N 3.31Å; C168-I172 WeakPolarHBondContact O-CB 3.26Å; C168-I172 WeakPolarHBondContact O-CD1 3.25Å; C168-I172 WeakPolarHBondContact O-CG1 3.45Å; C168-I172 PolarHBondContact O-N 2.84Å
169	E	93.5	Very high	92.9	Very high	45 Å²	45	73.5 Å²	73.5	21%	0.21	37%	0.373	C	S	.	.	H	α-helix	trans	-61	-42.7	179	-160.6	-170.2	129.3	0	0	111.5	Q51 L54 T165 A166 L167 K173	Q51-E169 PolarHBondContact NE2-OE2 3.34Å; L54-E169 HydrophobicContact CD2-CB 3.71Å; L54-E169 HydrophobicContact CD2-CG 4.21Å; T165-E169 WeakPolarHBondContact O-CB 3.37Å; T165-E169 PolarHBondContact O-N 2.83Å; A166-E169 PolarHBondContact O-N 3.36Å; L167-E169 VanDerWaalsContact C-N 3.34Å; L167-E169 PolarHBondContact O-N 3.28Å; E169-K173 WeakPolarHBondContact O-CG 3.33Å; E169-K173 PolarHBondContact O-N 3Å; E169-K173 IonicContact OE1-NZ 3.72Å; E169-K173 PolarHBondContact OE1-NZ 2.96Å
170	R	94.2	Very high	93.3	Very high	135 Å²	135	71 Å²	71	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-68.5	-49.1	175.9	176.1	166.4	41.9	66	1.3	112.4	A166 L167 C168 I172 K173 E174	A166-R170 WeakPolarHBondContact O-CB 3.5Å; A166-R170 PolarHBondContact O-N 3.4Å; L167-R170 VanDerWaalsContact CD1-NH2 3.35Å; L167-R170 PolarHBondContact O-N 3.17Å; C168-R170 VanDerWaalsContact C-N 3.33Å; C168-R170 PolarHBondContact O-N 2.61Å; R170-I172 PolarHBondContact O-N 3.29Å; R170-K173 PolarHBondContact O-N 3.09Å; R170-K173 VanDerWaalsContact O-N 3.11Å; R170-E174 VanDerWaalsContact O-CB 3.25Å; R170-E174 WeakPolarHBondContact O-CB 3.42Å; R170-E174 PolarHBondContact O-N 3.01Å
171	L	95.7	Very high	93.5	Very high	82 Å²	82	74.7 Å²	74.7	43%	0.429	37%	0.373	S	S	.	.	H	α-helix	trans	-60	-32.8	179.3	-72.6	168.7	0	0	0	112.7	L167 C168 R175	L167-L171 HydrophobicContact CD1-CD1 3.84Å; L167-L171 HydrophobicContact CD1-CG 4.14Å; L167-L171 HydrophobicContact CG-CD1 3.9Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.31Å; L167-L171 PolarHBondContact O-N 3.01Å; C168-L171 PolarHBondContact O-N 3.31Å; L171-R175 WeakPolarHBondContact O-CB 3.15Å; L171-R175 VanDerWaalsContact O-CG 3.26Å; L171-R175 WeakPolarHBondContact O-CG 3.36Å; L171-R175 PolarHBondContact O-N 3.07Å; L171-R175 VanDerWaalsContact O-N 3.09Å
172	I	92.9	Very high	93.7	Very high	70 Å²	70	78.3 Å²	78.3	36%	0.359	39%	0.389	S	S	.	.	H	α-helix	trans	-69.2	-49.5	173.4	-69.2	164.6	0	0	0	110.3	L54 C168 R170 E174 R175 E176	L54-I172 HydrophobicContact CD1-CD1 4.14Å; C168-I172 WeakPolarHBondContact O-CB 3.26Å; C168-I172 WeakPolarHBondContact O-CD1 3.25Å; C168-I172 WeakPolarHBondContact O-CG1 3.45Å; C168-I172 PolarHBondContact O-N 2.84Å; R170-I172 PolarHBondContact O-N 3.29Å; I172-E174 VanDerWaalsContact C-N 3.27Å; I172-E174 PolarHBondContact O-N 3.05Å; I172-R175 PolarHBondContact O-N 2.99Å; I172-E176 HydrophobicContact CG2-CG 4.35Å; I172-E176 WeakPolarHBondContact CG2-OE1 3.46Å; I172-E176 WeakPolarHBondContact O-CB 3.43Å; I172-E176 WeakPolarHBondContact O-CG 3.32Å; I172-E176 PolarHBondContact O-N 3.12Å
173	K	91.9	Very high	93.9	Very high	86 Å²	86	78.2 Å²	78.2	37%	0.374	38%	0.378	S	S	.	.	H	α-helix	trans	-60.4	-36.3	178.2	-73.6	168.8	175.4	175	0	113	E169 R170 A177	E169-K173 WeakPolarHBondContact O-CG 3.33Å; E169-K173 PolarHBondContact O-N 3Å; E169-K173 IonicContact OE1-NZ 3.72Å; E169-K173 PolarHBondContact OE1-NZ 2.96Å; R170-K173 PolarHBondContact O-N 3.09Å; R170-K173 VanDerWaalsContact O-N 3.11Å; K173-A177 WeakPolarHBondContact O-CB 3.47Å; K173-A177 PolarHBondContact O-N 3.22Å
174	E	95.1	Very high	94	Very high	91 Å²	91	76.9 Å²	76.9	43%	0.425	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-54.3	175.2	-173.9	169.4	-165.9	0	0	110.8	R170 I172 E176 A177 E178	R170-E174 VanDerWaalsContact O-CB 3.25Å; R170-E174 WeakPolarHBondContact O-CB 3.42Å; R170-E174 PolarHBondContact O-N 3.01Å; I172-E174 VanDerWaalsContact C-N 3.27Å; I172-E174 PolarHBondContact O-N 3.05Å; E174-E176 VanDerWaalsContact C-N 3.31Å; E174-E176 PolarHBondContact O-N 2.99Å; E174-A177 WeakPolarHBondContact O-CB 3.34Å; E174-A177 PolarHBondContact O-N 2.86Å; E174-E178 WeakPolarHBondContact O-CG 3.48Å; E174-E178 PolarHBondContact O-N 3.47Å
175	R	94.6	Very high	93.9	Very high	154 Å²	154	78.7 Å²	78.7	58%	0.581	39%	0.389	S	S	*	.	H	α-helix	trans	-57.1	-39.4	172.6	-75.1	-78.2	113.5	111.1	1	113.4	L171 I172 A177 E178 L179	L171-R175 WeakPolarHBondContact O-CB 3.15Å; L171-R175 VanDerWaalsContact O-CG 3.26Å; L171-R175 WeakPolarHBondContact O-CG 3.36Å; L171-R175 PolarHBondContact O-N 3.07Å; L171-R175 VanDerWaalsContact O-N 3.09Å; I172-R175 PolarHBondContact O-N 2.99Å; R175-A177 VanDerWaalsContact C-N 3.31Å; R175-E178 WeakPolarHBondContact CD-OE2 3.31Å; R175-E178 IonicContact CZ-OE1 2.7Å; R175-E178 IonicContact CZ-OE2 3.74Å; R175-E178 IonicContact NE-OE1 2.63Å; R175-E178 IonicContact NE-OE2 2.67Å; R175-E178 PolarHBondContact NE-OE2 3.3Å; R175-E178 IonicContact NH2-OE1 2.64Å; R175-E178 PolarHBondContact NH2-OE1 3.26Å; R175-E178 IonicContact NH2-OE2 2.96Å; R175-E178 PolarHBondContact NH2-OE2 3.36Å; R175-L179 WeakPolarHBondContact O-CB 3.43Å; R175-L179 VanDerWaalsContact O-CG 3.31Å; R175-L179 WeakPolarHBondContact O-CG 3.45Å; R175-L179 PolarHBondContact O-N 2.81Å; R175-L179 VanDerWaalsContact O-N 3.09Å
176	E	92.6	Very high	94	Very high	46 Å²	46	83.4 Å²	83.4	22%	0.215	41%	0.413	C	S	.	.	H	α-helix	trans	-69.3	-28	175.8	-73.1	179.1	-167.7	0	0	112.7	I172 E174 R180	I172-E176 HydrophobicContact CG2-CG 4.35Å; I172-E176 WeakPolarHBondContact CG2-OE1 3.46Å; I172-E176 WeakPolarHBondContact O-CB 3.43Å; I172-E176 WeakPolarHBondContact O-CG 3.32Å; I172-E176 PolarHBondContact O-N 3.12Å; E174-E176 VanDerWaalsContact C-N 3.31Å; E174-E176 PolarHBondContact O-N 2.99Å; E176-R180 VanDerWaalsContact O-CG 3.26Å; E176-R180 WeakPolarHBondContact O-CG 3.26Å; E176-R180 PolarHBondContact O-N 3.43Å; E176-R180 PolarHBondContact O-NH1 2.74Å; E176-R180 IonicContact OE2-CZ 3.36Å; E176-R180 IonicContact OE2-NH1 2.76Å; E176-R180 IonicContact OE2-NH2 3.28Å; E176-R180 PolarHBondContact OE2-NH2 3.27Å
177	A	90.5	Very high	94.2	Very high	50 Å²	50	84.1 Å²	84.1	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-74.4	-47.8	175.4	0	0	0	0	0	110.8	K173 E174 R175 L179 R180 E181	K173-A177 WeakPolarHBondContact O-CB 3.47Å; K173-A177 PolarHBondContact O-N 3.22Å; E174-A177 WeakPolarHBondContact O-CB 3.34Å; E174-A177 PolarHBondContact O-N 2.86Å; R175-A177 VanDerWaalsContact C-N 3.31Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 2.84Å; A177-R180 PolarHBondContact O-N 3.04Å; A177-R180 VanDerWaalsContact O-N 3.07Å; A177-E181 PolarHBondContact O-N 3.21Å
178	E	94.3	Very high	94.2	Very high	74 Å²	74	85.1 Å²	85.1	35%	0.346	42%	0.421	S	S	.	.	H	α-helix	trans	-50.6	-49.1	172.1	-66.5	168.7	171.4	0	0	111	E174 R175 R180 E181 E182	E174-E178 WeakPolarHBondContact O-CG 3.48Å; E174-E178 PolarHBondContact O-N 3.47Å; R175-E178 WeakPolarHBondContact CD-OE2 3.31Å; R175-E178 IonicContact CZ-OE1 2.7Å; R175-E178 IonicContact CZ-OE2 3.74Å; R175-E178 IonicContact NE-OE1 2.63Å; R175-E178 IonicContact NE-OE2 2.67Å; R175-E178 PolarHBondContact NE-OE2 3.3Å; R175-E178 IonicContact NH2-OE1 2.64Å; R175-E178 PolarHBondContact NH2-OE1 3.26Å; R175-E178 IonicContact NH2-OE2 2.96Å; R175-E178 PolarHBondContact NH2-OE2 3.36Å; E178-R180 VanDerWaalsContact C-N 3.33Å; E178-R180 PolarHBondContact O-N 2.91Å; E178-E181 PolarHBondContact O-N 2.94Å; E178-E182 PolarHBondContact O-N 2.7Å
179	L	94.3	Very high	94.2	Very high	109 Å²	109	86.3 Å²	86.3	57%	0.571	43%	0.429	S	S	*	.	H	α-helix	trans	-66.5	-27.6	179.6	-74.2	170.5	0	0	0	114.5	R175 A177 Y183	R175-L179 WeakPolarHBondContact O-CB 3.43Å; R175-L179 VanDerWaalsContact O-CG 3.31Å; R175-L179 WeakPolarHBondContact O-CG 3.45Å; R175-L179 PolarHBondContact O-N 2.81Å; R175-L179 VanDerWaalsContact O-N 3.09Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 2.84Å; L179-Y183 WeakPolarHBondContact O-CB 3.44Å; L179-Y183 PolarHBondContact O-N 2.64Å
180	R	92.2	Very high	94.4	Very high	63 Å²	63	88.7 Å²	88.7	24%	0.238	44%	0.438	C	S	.	.	H	α-helix	trans	-74.5	-43.3	173.3	-72.9	171.8	-159.5	111.1	1.5	110.6	F43 P45 E176 A177 E178 Y183 D184	F43-R180 HydrophobicContact CB-CG 4.42Å; P45-R180 VanDerWaalsContact CD-NH2 3.31Å; E176-R180 VanDerWaalsContact O-CG 3.26Å; E176-R180 WeakPolarHBondContact O-CG 3.26Å; E176-R180 PolarHBondContact O-N 3.43Å; E176-R180 PolarHBondContact O-NH1 2.74Å; E176-R180 IonicContact OE2-CZ 3.36Å; E176-R180 IonicContact OE2-NH1 2.76Å; E176-R180 IonicContact OE2-NH2 3.28Å; E176-R180 PolarHBondContact OE2-NH2 3.27Å; A177-R180 PolarHBondContact O-N 3.04Å; A177-R180 VanDerWaalsContact O-N 3.07Å; E178-R180 VanDerWaalsContact C-N 3.33Å; E178-R180 PolarHBondContact O-N 2.91Å; R180-Y183 PolarHBondContact O-N 3.35Å; R180-D184 WeakPolarHBondContact O-CB 3.22Å; R180-D184 PolarHBondContact O-N 3.12Å
181	E	94.6	Very high	94.6	Very high	148 Å²	148	87 Å²	87	69%	0.692	44%	0.439	S	S	*	.	H	α-helix	trans	-62.3	-43.6	176.5	-174.1	173.4	-170.1	0	0	111.8	A177 E178 Y183 S185	A177-E181 PolarHBondContact O-N 3.21Å; E178-E181 PolarHBondContact O-N 2.94Å; E181-Y183 PolarHBondContact O-N 3.47Å; E181-S185 WeakPolarHBondContact O-CB 3.46Å; E181-S185 PolarHBondContact O-N 3.38Å
182	E	95.2	Very high	94.6	Very high	122 Å²	122	85.7 Å²	85.7	57%	0.57	44%	0.44	S	S	*	.	H	α-helix	trans	-57.7	-46.6	171.7	-75.9	-173.6	176.3	0	0	111.9	E178 I186	E178-E182 PolarHBondContact O-N 2.7Å; E182-I186 WeakPolarHBondContact O-CB 3.43Å; E182-I186 WeakPolarHBondContact O-CD1 3.29Å; E182-I186 WeakPolarHBondContact O-CG1 3.11Å; E182-I186 PolarHBondContact O-N 2.9Å
183	Y	95.9	Very high	94.8	Very high	79 Å²	79	86.9 Å²	86.9	31%	0.31	44%	0.444	S	S	.	.	H	α-helix	trans	-65.2	-48.1	179.4	174.5	-95.9	0	0	0	112.6	F43 L179 R180 E181 S185 I186 L187	F43-Y183 AromaticContact CD2-CD1 3.86Å; F43-Y183 HydrophobicContact CD2-CD1 3.86Å; F43-Y183 HydrophobicContact CD2-CD2 4.37Å; F43-Y183 HydrophobicContact CD2-CE1 4.12Å; F43-Y183 HydrophobicContact CD2-CG 4Å; F43-Y183 AromaticContact CE2-CD1 3.71Å; F43-Y183 HydrophobicContact CE2-CD1 3.71Å; F43-Y183 AromaticContact CE2-CD2 3.51Å; F43-Y183 HydrophobicContact CE2-CD2 3.51Å; F43-Y183 AromaticContact CE2-CE1 3.76Å; F43-Y183 HydrophobicContact CE2-CE1 3.76Å; F43-Y183 AromaticContact CE2-CE2 3.56Å; F43-Y183 HydrophobicContact CE2-CE2 3.56Å; F43-Y183 AromaticContact CE2-CG 3.59Å; F43-Y183 HydrophobicContact CE2-CG 3.59Å; F43-Y183 AromaticContact CE2-CZ 3.69Å; F43-Y183 AromaticContact CZ-CD2 3.97Å; F43-Y183 HydrophobicContact CZ-CD2 3.97Å; F43-Y183 HydrophobicContact CZ-CE2 4.1Å; F43-Y183 HydrophobicContact CZ-CG 4.36Å; L179-Y183 WeakPolarHBondContact O-CB 3.44Å; L179-Y183 PolarHBondContact O-N 2.64Å; R180-Y183 PolarHBondContact O-N 3.35Å; E181-Y183 PolarHBondContact O-N 3.47Å; Y183-S185 VanDerWaalsContact C-N 3.3Å; Y183-S185 PolarHBondContact O-N 2.94Å; Y183-I186 PolarHBondContact O-N 3.3Å; Y183-L187 HydrophobicContact CE1-CB 4.35Å; Y183-L187 HydrophobicContact CE1-CD2 3.84Å; Y183-L187 VanDerWaalsContact O-CB 3.29Å; Y183-L187 WeakPolarHBondContact O-CB 3.45Å; Y183-L187 PolarHBondContact O-N 2.91Å
184	D	94	Very high	95.1	Very high	72 Å²	72	89.3 Å²	89.3	39%	0.385	46%	0.457	S	S	.	.	H	α-helix	trans	-67.8	-32.9	-177.7	-70.1	-25.7	0	0	0	111.2	R180 S188	R180-D184 WeakPolarHBondContact O-CB 3.22Å; R180-D184 PolarHBondContact O-N 3.12Å; D184-S188 VanDerWaalsContact O-CB 3.29Å; D184-S188 WeakPolarHBondContact O-CB 3.39Å; D184-S188 PolarHBondContact O-N 3.45Å; D184-S188 PolarHBondContact O-OG 3.01Å
185	S	93.3	Very high	95.3	Very high	78 Å²	78	91.5 Å²	91.5	55%	0.545	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-50	170.4	179.9	0	0	0	0	112	E181 Y183 L187 S188 C189	E181-S185 WeakPolarHBondContact O-CB 3.46Å; E181-S185 PolarHBondContact O-N 3.38Å; Y183-S185 VanDerWaalsContact C-N 3.3Å; Y183-S185 PolarHBondContact O-N 2.94Å; S185-L187 PolarHBondContact O-N 3.38Å; S185-S188 PolarHBondContact O-N 2.89Å; S185-C189 WeakPolarHBondContact O-CB 3.36Å; S185-C189 PolarHBondContact O-N 3.21Å
186	I	96.2	Very high	95.5	Very high	102 Å²	102	89.6 Å²	89.6	52%	0.523	46%	0.46	S	S	.	.	H	α-helix	trans	-62.2	-42.9	176.7	-70.3	165.8	0	0	0	110.9	E182 Y183 C189 K190	E182-I186 WeakPolarHBondContact O-CB 3.43Å; E182-I186 WeakPolarHBondContact O-CD1 3.29Å; E182-I186 WeakPolarHBondContact O-CG1 3.11Å; E182-I186 PolarHBondContact O-N 2.9Å; Y183-I186 PolarHBondContact O-N 3.3Å; I186-C189 PolarHBondContact O-N 2.71Å; I186-K190 HydrophobicContact CG2-CG 4.44Å; I186-K190 WeakPolarHBondContact O-CG 3.36Å; I186-K190 PolarHBondContact O-N 3.01Å
187	L	96.7	Very high	95.7	Very high	66 Å²	66	90.4 Å²	90.4	35%	0.346	47%	0.474	S	S	.	.	H	α-helix	trans	-61.2	-47.5	177.3	177.3	60.6	0	0	0	111.2	Y183 S185 C189 K190 L191	Y183-L187 HydrophobicContact CE1-CB 4.35Å; Y183-L187 HydrophobicContact CE1-CD2 3.84Å; Y183-L187 VanDerWaalsContact O-CB 3.29Å; Y183-L187 WeakPolarHBondContact O-CB 3.45Å; Y183-L187 PolarHBondContact O-N 2.91Å; S185-L187 PolarHBondContact O-N 3.38Å; L187-C189 VanDerWaalsContact C-N 3.34Å; L187-C189 PolarHBondContact O-N 2.93Å; L187-K190 PolarHBondContact O-N 2.9Å; L187-L191 HydrophobicContact CD1-CD1 4.16Å; L187-L191 HydrophobicContact CD1-CG 4.26Å; L187-L191 HydrophobicContact CG-CD1 4.12Å; L187-L191 WeakPolarHBondContact O-CG 3.19Å; L187-L191 PolarHBondContact O-N 2.98Å
188	S	95	Very high	96.1	Very high	76 Å²	76	93.9 Å²	93.9	53%	0.531	48%	0.48	S	S	.	.	H	α-helix	trans	-60.1	-44	177.1	-60.1	0	0	0	0	111.6	D184 S185 L191 A192	D184-S188 VanDerWaalsContact O-CB 3.29Å; D184-S188 WeakPolarHBondContact O-CB 3.39Å; D184-S188 PolarHBondContact O-N 3.45Å; D184-S188 PolarHBondContact O-OG 3.01Å; S185-S188 PolarHBondContact O-N 2.89Å; S188-L191 PolarHBondContact O-N 2.78Å; S188-A192 PolarHBondContact O-N 3.36Å
189	C	96.1	Very high	96.2	Very high	64 Å²	64	93.6 Å²	93.6	43%	0.432	48%	0.481	S	S	.	.	H	α-helix	trans	-60.2	-44.4	174.5	-179.7	0	0	0	0	112.1	S185 I186 L187 A192 E193	S185-C189 WeakPolarHBondContact O-CB 3.36Å; S185-C189 PolarHBondContact O-N 3.21Å; I186-C189 PolarHBondContact O-N 2.71Å; L187-C189 VanDerWaalsContact C-N 3.34Å; L187-C189 PolarHBondContact O-N 2.93Å; C189-A192 PolarHBondContact O-N 3.35Å; C189-E193 PolarHBondContact O-N 3.24Å
190	K	97.6	Very high	96.4	Very high	95 Å²	95	94.4 Å²	94.4	41%	0.413	48%	0.48	S	S	.	.	H	α-helix	trans	-71.6	-29.3	178.5	-67.4	-45.9	-176.7	-167.8	0	114.2	I186 L187 E193 Q194	I186-K190 HydrophobicContact CG2-CG 4.44Å; I186-K190 WeakPolarHBondContact O-CG 3.36Å; I186-K190 PolarHBondContact O-N 3.01Å; L187-K190 PolarHBondContact O-N 2.9Å; K190-E193 WeakPolarHBondContact CD-OE2 3.29Å; K190-E193 IonicContact NZ-OE1 2.65Å; K190-E193 PolarHBondContact NZ-OE1 3.23Å; K190-E193 IonicContact NZ-OE2 2.77Å; K190-E193 PolarHBondContact NZ-OE2 2.95Å; K190-Q194 WeakPolarHBondContact O-CG 3.3Å; K190-Q194 PolarHBondContact O-N 3.26Å; K190-Q194 VanDerWaalsContact O-N 3.12Å
191	L	97.7	Very high	96.6	Very high	100 Å²	100	97 Å²	97	52%	0.524	49%	0.493	S	S	.	.	H	α-helix	trans	-69.5	-39.2	170.5	-69.9	171.2	0	0	0	111.3	L187 S188 Q194 Y195	L187-L191 HydrophobicContact CD1-CD1 4.16Å; L187-L191 HydrophobicContact CD1-CG 4.26Å; L187-L191 HydrophobicContact CG-CD1 4.12Å; L187-L191 WeakPolarHBondContact O-CG 3.19Å; L187-L191 PolarHBondContact O-N 2.98Å; S188-L191 PolarHBondContact O-N 2.78Å; L191-Q194 PolarHBondContact O-N 3.43Å; L191-Y195 WeakPolarHBondContact O-CB 3.36Å; L191-Y195 PolarHBondContact O-N 3Å
192	A	96.7	Very high	96.7	Very high	54 Å²	54	93.5 Å²	93.5	45%	0.446	48%	0.479	S	S	.	.	H	α-helix	trans	-64.2	-45.7	172.8	0	0	0	0	0	112.3	S188 C189 Q194 Y195 E196	S188-A192 PolarHBondContact O-N 3.36Å; C189-A192 PolarHBondContact O-N 3.35Å; A192-Q194 VanDerWaalsContact C-N 3.29Å; A192-Q194 PolarHBondContact O-N 3.15Å; A192-Y195 PolarHBondContact O-N 3.45Å; A192-Y195 VanDerWaalsContact O-N 3.14Å; A192-E196 PolarHBondContact O-N 2.94Å
193	E	97.4	Very high	96.7	Very high	96 Å²	96	93.4 Å²	93.4	45%	0.449	48%	0.478	S	S	.	.	H	α-helix	trans	-55.9	-41.5	173.9	-77.5	176.9	-155.2	0	0	112.5	C189 K190 A197	C189-E193 PolarHBondContact O-N 3.24Å; K190-E193 WeakPolarHBondContact CD-OE2 3.29Å; K190-E193 IonicContact NZ-OE1 2.65Å; K190-E193 PolarHBondContact NZ-OE1 3.23Å; K190-E193 IonicContact NZ-OE2 2.77Å; K190-E193 PolarHBondContact NZ-OE2 2.95Å; E193-A197 VanDerWaalsContact O-CB 3.3Å; E193-A197 WeakPolarHBondContact O-CB 3.4Å; E193-A197 PolarHBondContact O-N 2.98Å
194	Q	98.3	Very high	96.7	Very high	136 Å²	136	93.1 Å²	93.1	64%	0.636	48%	0.482	S	S	*	.	H	α-helix	trans	-68.7	-38	176.6	-74.7	-178.4	21.8	0	0	112.7	K190 L191 A192 F198	K190-Q194 WeakPolarHBondContact O-CG 3.3Å; K190-Q194 PolarHBondContact O-N 3.26Å; K190-Q194 VanDerWaalsContact O-N 3.12Å; L191-Q194 PolarHBondContact O-N 3.43Å; A192-Q194 VanDerWaalsContact C-N 3.29Å; A192-Q194 PolarHBondContact O-N 3.15Å; Q194-F198 WeakPolarHBondContact O-CB 3.35Å; Q194-F198 PolarHBondContact O-N 3.09Å
195	Y	98.3	Very high	96.7	Very high	137 Å²	137	94.8 Å²	94.8	54%	0.537	49%	0.488	S	S	.	.	H	α-helix	trans	-64.6	-48	176.6	178.9	-104.2	0	0	0	111.6	L191 A192 A197 F198 L199	L191-Y195 WeakPolarHBondContact O-CB 3.36Å; L191-Y195 PolarHBondContact O-N 3Å; A192-Y195 PolarHBondContact O-N 3.45Å; A192-Y195 VanDerWaalsContact O-N 3.14Å; Y195-A197 PolarHBondContact O-N 3.32Å; Y195-F198 PolarHBondContact O-N 2.77Å; Y195-F198 VanDerWaalsContact O-N 3.15Å; Y195-L199 HydrophobicContact CD1-CD1 4.02Å; Y195-L199 HydrophobicContact CD1-CG 4.31Å; Y195-L199 HydrophobicContact CE1-CD1 3.38Å; Y195-L199 HydrophobicContact CE1-CG 3.91Å; Y195-L199 HydrophobicContact CE2-CD2 4.34Å; Y195-L199 HydrophobicContact CE2-CG 4.29Å; Y195-L199 PolarHBondContact O-N 3.03Å
196	E	98	Very high	96.7	Very high	115 Å²	115	95.1 Å²	95.1	54%	0.537	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-41.1	175.9	-69.4	-55.6	132.4	0	0	112.1	A192 F198 L199 K200	A192-E196 PolarHBondContact O-N 2.94Å; E196-F198 VanDerWaalsContact C-N 3.32Å; E196-F198 PolarHBondContact O-N 2.65Å; E196-L199 PolarHBondContact O-N 3.14Å; E196-K200 WeakPolarHBondContact O-CB 3.39Å; E196-K200 PolarHBondContact O-N 2.83Å
197	A	97.9	Very high	96.5	Very high	63 Å²	63	97.3 Å²	97.3	52%	0.521	49%	0.485	S	S	.	.	H	α-helix	trans	-62.5	-37.9	174.1	0	0	0	0	0	112.5	E193 Y195 F201	E193-A197 VanDerWaalsContact O-CB 3.3Å; E193-A197 WeakPolarHBondContact O-CB 3.4Å; E193-A197 PolarHBondContact O-N 2.98Å; Y195-A197 PolarHBondContact O-N 3.32Å; A197-F201 WeakPolarHBondContact O-CB 3.49Å; A197-F201 PolarHBondContact O-N 3.38Å
198	F	97.8	Very high	96.2	Very high	123 Å²	123	97.5 Å²	97.5	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-70.1	-44.1	175.5	177.6	-98.1	0	0	0	112.3	Q194 Y195 E196 F201 N202	Q194-F198 WeakPolarHBondContact O-CB 3.35Å; Q194-F198 PolarHBondContact O-N 3.09Å; Y195-F198 PolarHBondContact O-N 2.77Å; Y195-F198 VanDerWaalsContact O-N 3.15Å; E196-F198 VanDerWaalsContact C-N 3.32Å; E196-F198 PolarHBondContact O-N 2.65Å; F198-F201 PolarHBondContact O-N 3.39Å; F198-N202 WeakPolarHBondContact O-CB 3.44Å; F198-N202 PolarHBondContact O-N 2.88Å
199	L	97.5	Very high	96	Very high	68 Å²	68	102.7 Å²	102.7	36%	0.356	50%	0.501	S	S	.	.	H	α-helix	trans	-58.5	-48.1	174	-75.7	-171.2	0	0	0	111.1	Y195 E196 F201 N202 H203	Y195-L199 HydrophobicContact CD1-CD1 4.02Å; Y195-L199 HydrophobicContact CD1-CG 4.31Å; Y195-L199 HydrophobicContact CE1-CD1 3.38Å; Y195-L199 HydrophobicContact CE1-CG 3.91Å; Y195-L199 HydrophobicContact CE2-CD2 4.34Å; Y195-L199 HydrophobicContact CE2-CG 4.29Å; Y195-L199 PolarHBondContact O-N 3.03Å; E196-L199 PolarHBondContact O-N 3.14Å; L199-F201 PolarHBondContact O-N 2.84Å; L199-N202 PolarHBondContact O-N 3.35Å; L199-H203 WeakPolarHBondContact O-CB 3.39Å; L199-H203 PolarHBondContact O-N 3.47Å
200	K	97.3	Very high	95.6	Very high	125 Å²	125	104.1 Å²	104.1	54%	0.543	50%	0.5	S	S	.	.	H	α-helix	trans	-60.6	-46.5	177.7	-163.8	-158.1	-179.7	-55.3	0	111.4	E196 N202 H203 D204	E196-K200 WeakPolarHBondContact O-CB 3.39Å; E196-K200 PolarHBondContact O-N 2.83Å; K200-N202 VanDerWaalsContact C-N 3.32Å; K200-N202 PolarHBondContact O-N 3.29Å; K200-H203 PolarHBondContact O-N 3.41Å; K200-D204 IonicContact NZ-OD1 3.59Å; K200-D204 PolarHBondContact NZ-OD1 2.88Å; K200-D204 IonicContact NZ-OD2 3.83Å; K200-D204 PolarHBondContact NZ-OD2 3.22Å; K200-D204 WeakPolarHBondContact O-CB 3.38Å; K200-D204 PolarHBondContact O-N 2.88Å
201	F	97.2	Very high	95	Very high	119 Å²	119	104.5 Å²	104.5	52%	0.522	50%	0.503	S	S	.	.	H	α-helix	trans	-60.4	-40.3	176.5	174.8	-102.6	0	0	0	112.4	A197 F198 L199 Q205	A197-F201 WeakPolarHBondContact O-CB 3.49Å; A197-F201 PolarHBondContact O-N 3.38Å; F198-F201 PolarHBondContact O-N 3.39Å; L199-F201 PolarHBondContact O-N 2.84Å; F201-Q205 HydrophobicContact CD1-CG 4.46Å; F201-Q205 HydrophobicContact CD2-CG 4.29Å; F201-Q205 HydrophobicContact CE1-CG 4.17Å; F201-Q205 HydrophobicContact CE2-CG 4Å; F201-Q205 HydrophobicContact CZ-CG 3.95Å; F201-Q205 WeakPolarHBondContact O-CB 3.38Å; F201-Q205 WeakPolarHBondContact O-CG 3.24Å; F201-Q205 PolarHBondContact O-N 3.49Å; F201-Q205 VanDerWaalsContact O-N 3.07Å
202	N	96.1	Very high	94.1	Very high	74 Å²	74	106.4 Å²	106.4	40%	0.396	51%	0.513	S	S	.	.	H	α-helix	trans	-64.2	-46.8	176.3	-167.3	-81.9	0	0	0	111.4	F198 L199 K200 Q205 L206	F198-N202 WeakPolarHBondContact O-CB 3.44Å; F198-N202 PolarHBondContact O-N 2.88Å; L199-N202 PolarHBondContact O-N 3.35Å; K200-N202 VanDerWaalsContact C-N 3.32Å; K200-N202 PolarHBondContact O-N 3.29Å; N202-Q205 PolarHBondContact O-N 3.32Å; N202-L206 WeakPolarHBondContact O-CG 3.25Å; N202-L206 PolarHBondContact O-N 3.35Å; N202-L206 VanDerWaalsContact OD1-CD1 3.28Å; N202-L206 WeakPolarHBondContact OD1-CD1 3.38Å
203	H	95.7	Very high	93.5	Very high	120 Å²	120	107.4 Å²	107.4	56%	0.556	51%	0.514	S	S	*	.	H	α-helix	trans	-61.6	-47.5	176.7	-174.5	-74.4	0	0	0	112.1	L199 K200 Q205 L206 Y207	L199-H203 WeakPolarHBondContact O-CB 3.39Å; L199-H203 PolarHBondContact O-N 3.47Å; K200-H203 PolarHBondContact O-N 3.41Å; H203-Q205 VanDerWaalsContact C-N 3.29Å; H203-Q205 PolarHBondContact O-N 3.07Å; H203-L206 PolarHBondContact O-N 3.23Å; H203-Y207 VanDerWaalsContact O-CB 3.25Å; H203-Y207 WeakPolarHBondContact O-CB 3.1Å; H203-Y207 PolarHBondContact O-N 2.89Å
204	D	95.9	Very high	92.8	Very high	72 Å²	72	108.3 Å²	108.3	39%	0.385	53%	0.528	S	S	.	.	H	α-helix	trans	-57.4	-41.7	177	-68.8	-14.8	0	0	0	111.2	K200 S208	K200-D204 IonicContact NZ-OD1 3.59Å; K200-D204 PolarHBondContact NZ-OD1 2.88Å; K200-D204 IonicContact NZ-OD2 3.83Å; K200-D204 PolarHBondContact NZ-OD2 3.22Å; K200-D204 WeakPolarHBondContact O-CB 3.38Å; K200-D204 PolarHBondContact O-N 2.88Å; D204-S208 VanDerWaalsContact O-CB 3.24Å; D204-S208 WeakPolarHBondContact O-CB 3.28Å; D204-S208 PolarHBondContact O-N 3.13Å
205	Q	94.1	Very high	92.2	Very high	108 Å²	108	106.6 Å²	106.6	51%	0.505	52%	0.521	S	S	.	.	H	α-helix	trans	-70.6	-40.4	178.8	-70.8	-83.4	35.2	0	0	113	F201 N202 H203 R209	F201-Q205 HydrophobicContact CD1-CG 4.46Å; F201-Q205 HydrophobicContact CD2-CG 4.29Å; F201-Q205 HydrophobicContact CE1-CG 4.17Å; F201-Q205 HydrophobicContact CE2-CG 4Å; F201-Q205 HydrophobicContact CZ-CG 3.95Å; F201-Q205 WeakPolarHBondContact O-CB 3.38Å; F201-Q205 WeakPolarHBondContact O-CG 3.24Å; F201-Q205 PolarHBondContact O-N 3.49Å; F201-Q205 VanDerWaalsContact O-N 3.07Å; N202-Q205 PolarHBondContact O-N 3.32Å; H203-Q205 VanDerWaalsContact C-N 3.29Å; H203-Q205 PolarHBondContact O-N 3.07Å; Q205-R209 WeakPolarHBondContact O-CB 3.37Å; Q205-R209 PolarHBondContact O-N 2.98Å
206	L	93.1	Very high	91.6	Very high	84 Å²	84	106 Å²	106	44%	0.44	54%	0.537	S	S	.	.	H	α-helix	trans	-64.8	-48.6	173.8	-71.9	173.1	0	0	0	110.6	N202 H203 S208 R209 F210	N202-L206 WeakPolarHBondContact O-CG 3.25Å; N202-L206 PolarHBondContact O-N 3.35Å; N202-L206 VanDerWaalsContact OD1-CD1 3.28Å; N202-L206 WeakPolarHBondContact OD1-CD1 3.38Å; H203-L206 PolarHBondContact O-N 3.23Å; L206-S208 PolarHBondContact O-N 3.19Å; L206-R209 PolarHBondContact O-N 2.88Å; L206-R209 VanDerWaalsContact O-N 3.13Å; L206-F210 HydrophobicContact CD2-CD2 4.43Å; L206-F210 HydrophobicContact CD2-CE2 3.95Å; L206-F210 VanDerWaalsContact O-CD2 3.25Å; L206-F210 WeakPolarHBondContact O-CD2 3.38Å; L206-F210 PolarHBondContact O-N 3.21Å
207	Y	91.6	Very high	91.3	Very high	148 Å²	148	108.7 Å²	108.7	58%	0.58	54%	0.544	S	S	*	.	H	α-helix	trans	-58.4	-50.6	178	-172.5	-90.6	0	0	0	111.2	H203 R209 F210 Q211	H203-Y207 VanDerWaalsContact O-CB 3.25Å; H203-Y207 WeakPolarHBondContact O-CB 3.1Å; H203-Y207 PolarHBondContact O-N 2.89Å; Y207-R209 PolarHBondContact O-N 2.83Å; Y207-R209 VanDerWaalsContact O-N 3.13Å; Y207-F210 PolarHBondContact O-N 3.3Å; Y207-Q211 HydrophobicContact CD1-CB 4.5Å; Y207-Q211 HydrophobicContact CE1-CB 4.27Å; Y207-Q211 VanDerWaalsContact O-CB 3.26Å; Y207-Q211 WeakPolarHBondContact O-CB 3.26Å; Y207-Q211 WeakPolarHBondContact O-CG 3.25Å; Y207-Q211 PolarHBondContact O-N 3.13Å
208	S	91.2	Very high	90.6	Very high	71 Å²	71	110.8 Å²	110.8	50%	0.497	55%	0.55	S	S	.	*	H	α-helix	trans	-60.7	-24.8	178.1	-175.1	0	0	0	0	113.7	D204 L206 Q211	D204-S208 VanDerWaalsContact O-CB 3.24Å; D204-S208 WeakPolarHBondContact O-CB 3.28Å; D204-S208 PolarHBondContact O-N 3.13Å; L206-S208 PolarHBondContact O-N 3.19Å; S208-Q211 PolarHBondContact O-NE2 2.93Å
209	R	90.2	Very high	89.7	Confident	185 Å²	185	113.6 Å²	113.6	70%	0.698	59%	0.585	S	S	*	*	H	α-helix	trans	-83.2	-41	176.9	-172.3	179.6	-172.7	-176.1	1.4	112.6	Q205 L206 Y207	Q205-R209 WeakPolarHBondContact O-CB 3.37Å; Q205-R209 PolarHBondContact O-N 2.98Å; L206-R209 PolarHBondContact O-N 2.88Å; L206-R209 VanDerWaalsContact O-N 3.13Å; Y207-R209 PolarHBondContact O-N 2.83Å; Y207-R209 VanDerWaalsContact O-N 3.13Å
210	F	88.5	Confident	89.3	Confident	94 Å²	94	115.9 Å²	115.9	41%	0.412	60%	0.596	S	S	.	*	H	α-helix	trans	-100.4	-15.5	-170.3	-67	-66.3	0	0	0	115	L206 Y207 N212 T213	L206-F210 HydrophobicContact CD2-CD2 4.43Å; L206-F210 HydrophobicContact CD2-CE2 3.95Å; L206-F210 VanDerWaalsContact O-CD2 3.25Å; L206-F210 WeakPolarHBondContact O-CD2 3.38Å; L206-F210 PolarHBondContact O-N 3.21Å; Y207-F210 PolarHBondContact O-N 3.3Å; F210-N212 PolarHBondContact O-N 2.96Å; F210-T213 PolarHBondContact O-N 3.37Å
211	Q	84.3	Confident	88.9	Confident	103 Å²	103	115.4 Å²	115.4	48%	0.481	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-47.6	-32.9	179.4	58.5	-179.3	-11.9	0	0	115.4	Y207 S208	Y207-Q211 HydrophobicContact CD1-CB 4.5Å; Y207-Q211 HydrophobicContact CE1-CB 4.27Å; Y207-Q211 VanDerWaalsContact O-CB 3.26Å; Y207-Q211 WeakPolarHBondContact O-CB 3.26Å; Y207-Q211 WeakPolarHBondContact O-CG 3.25Å; Y207-Q211 PolarHBondContact O-N 3.13Å; S208-Q211 PolarHBondContact O-NE2 2.93Å
212	N	79.7	Confident	88.4	Confident	139 Å²	139	115.2 Å²	115.2	74%	0.743	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	6.9	-178	-62.8	-19.9	0	0	0	113.2	F210	F210-N212 PolarHBondContact O-N 2.96Å
213	T	84	Confident	88	Confident	75 Å²	75	117.6 Å²	117.6	46%	0.46	62%	0.616	S	S	.	*	S	Bend	trans	-100.1	114.3	179.8	-58	0	0	0	0	108.9	F210 M215	F210-T213 PolarHBondContact O-N 3.37Å; T213-M215 PolarHBondContact O-N 2.91Å
214	P	82.3	Confident	87.5	Confident	116 Å²	116	117.5 Å²	117.5	75%	0.753	62%	0.619	S	S	*	*			trans	-65.1	130.3	177.7	26.9	-33.4	0	0	0	110.4	S216	P214-S216 PolarHBondContact O-N 3.06Å
215	M	85.4	Confident	86.9	Confident	99 Å²	99	120.5 Å²	120.5	49%	0.488	64%	0.635	S	S	.	*			trans	-73.5	97.4	176.6	-71.1	-59.4	-146.7	0	0	109.8	T213 Y217 V218	T213-M215 PolarHBondContact O-N 2.91Å; M215-Y217 HydrophobicContact CB-CD1 4.19Å; M215-Y217 HydrophobicContact CB-CE1 3.77Å; M215-Y217 HydrophobicContact CE-CE1 4.26Å; M215-Y217 HydrophobicContact CG-CE1 4.03Å; M215-Y217 PolarHBondContact O-N 2.95Å; M215-Y217 HydrophobicContact SD-CE1 3.65Å; M215-V218 HydrophobicContact CB-CB 4.49Å; M215-V218 HydrophobicContact CB-CG2 3.97Å; M215-V218 PolarHBondContact O-N 2.88Å
216	S	85.9	Confident	86.4	Confident	124 Å²	124	121.4 Å²	121.4	87%	0.867	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	3.5	-172.7	68.3	0	0	0	0	116	P214	P214-S216 PolarHBondContact O-N 3.06Å
217	Y	91.8	Very high	85.9	Confident	172 Å²	172	124.3 Å²	124.3	68%	0.675	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	0	173.9	66.4	-94.5	0	0	0	112.8	M215	M215-Y217 HydrophobicContact CB-CD1 4.19Å; M215-Y217 HydrophobicContact CB-CE1 3.77Å; M215-Y217 HydrophobicContact CE-CE1 4.26Å; M215-Y217 HydrophobicContact CG-CE1 4.03Å; M215-Y217 PolarHBondContact O-N 2.95Å; M215-Y217 HydrophobicContact SD-CE1 3.65Å
218	V	83.7	Confident	85.4	Confident	108 Å²	108	122.3 Å²	122.3	66%	0.655	67%	0.667	S	S	*	*			trans	-108.6	99.1	175.9	-174.5	0	0	0	0	108	M215	M215-V218 HydrophobicContact CB-CB 4.49Å; M215-V218 HydrophobicContact CB-CG2 3.97Å; M215-V218 PolarHBondContact O-N 2.88Å
219	S	77.9	Confident	84.9	Confident	182 Å²	182	127 Å²	127	100%	1.273	68%	0.682	S	S	*	*			trans	-147.6	0	-176	61.8	0	0	0	0	110.7

Retrieved 219 of 219 residues in 83.4 ms (Link to these results)

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