X6REH9_HUMAN Loading...

Ubiquitin-conjugating enzyme E2 W

AlphaFold DB , UniProt , Accession X6REH9, Species HUMAN (Homo sapiens, Human), Gene UBE2W, Length 191 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	42.9	Very low	41.8	Very low	240 Å²	240	156.4 Å²	156.4	100%	1.182	83%	0.828	S	S	*	*				0	83.2	0	-63.7	175.6	179.4	0	0	106.5
2	L	36.1	Very low	41.9	Very low	176 Å²	176	155.8 Å²	155.8	92%	0.921	82%	0.817	S	S	*	*				51.8	106.4	96.8	-72.9	166.8	0	0	0	113.8
3	S	42.4	Very low	41.5	Very low	111 Å²	111	157.3 Å²	157.3	78%	0.776	83%	0.825	S	S	*	*			trans	-48	179.3	156.8	-145.6	0	0	0	0	111.5
4	P	52.7	Low	41.7	Very low	93 Å²	93	158 Å²	158	60%	0.604	83%	0.828	S	S	*	*			cis	-157.3	-166.1	24.5	30	0	0	0	0	117.8
5	R	42.1	Very low	41.6	Very low	235 Å²	235	154.8 Å²	154.8	89%	0.887	82%	0.821	S	S	*	*			trans	84.7	122.6	154.8	-46.4	-176.9	-175.1	-158.6	-1.1	114.4
6	G	34.9	Very low	41.5	Very low	69 Å²	69	155.7 Å²	155.7	71%	0.711	83%	0.825	S	S	*	*			cis	115.3	135.1	32.2	0	0	0	0	0	107.9
7	V	48.4	Very low	41.4	Very low	148 Å²	148	161.1 Å²	161.1	90%	0.897	83%	0.831	S	S	*	*			trans	164.3	120.5	135.6	163.6	0	0	0	0	109.2
8	T	40.3	Very low	41.2	Very low	131 Å²	131	161.5 Å²	161.5	80%	0.804	83%	0.834	S	S	*	*			trans	-59.2	141.7	169.3	-7.4	0	0	0	0	112.3
9	R	43.8	Very low	41	Very low	234 Å²	234	165.4 Å²	165.4	88%	0.883	84%	0.837	S	S	*	*			trans	-155.2	113.7	136.7	-131.8	-179.9	-177.8	-168.8	1.3	112.5
10	A	38.5	Very low	40.9	Very low	83 Å²	83	161.6 Å²	161.6	69%	0.686	82%	0.824	S	S	*	*			trans	-63	166	156.2	0	0	0	0	0	111.1
11	R	38.1	Very low	40.9	Very low	200 Å²	200	166 Å²	166	76%	0.755	83%	0.831	S	S	*	*			trans	111.2	132.7	175.5	-69.4	174.1	173.4	-124.2	-0.1	110.6
12	Q	42	Very low	40.5	Very low	149 Å²	149	164.1 Å²	164.1	70%	0.696	81%	0.81	S	S	*	*			cis	-160	139.1	15.2	-116.5	149.6	-29.6	0	0	106.5	L14	Q12-L14 PolarHBondContact O-N 3.21Å
13	L	37.5	Very low	40.5	Very low	176 Å²	176	161.1 Å²	161.1	92%	0.921	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-55.4	119.7	165.8	-68.1	164.8	0	0	0	108.4
14	L	43.5	Very low	40.2	Very low	167 Å²	167	166.2 Å²	166.2	87%	0.874	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-69.2	132.3	172	-79.8	161.9	0	0	0	108.7	Q12	Q12-L14 PolarHBondContact O-N 3.21Å
15	P	40.8	Very low	39.3	Very low	110 Å²	110	165 Å²	165	71%	0.714	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-70.2	138.9	-176.9	27	-31.3	0	0	0	110.9	R17	P15-R17 PolarHBondContact O-N 2.99Å
16	L	39.7	Very low	39	Very low	169 Å²	169	162 Å²	162	89%	0.885	81%	0.812	S	S	*	*			trans	-44	107.8	163.7	-74.6	152	0	0	0	109	L18	L16-L18 PolarHBondContact O-N 3.02Å
17	R	40.1	Very low	38.9	Very low	248 Å²	248	162 Å²	162	94%	0.936	81%	0.812	S	S	*	*			trans	-68.3	104.6	170.2	-74.9	-175.8	-172.5	-111.2	2.1	107.5	P15 W19	P15-R17 PolarHBondContact O-N 2.99Å; R17-W19 PolarHBondContact O-N 3.22Å
18	L	38.2	Very low	38.2	Very low	168 Å²	168	159.3 Å²	159.3	88%	0.88	80%	0.8	S	S	*	*			trans	-56.4	114.1	166.9	-69.5	161.8	0	0	0	108.6	L16	L16-L18 PolarHBondContact O-N 3.02Å
19	W	37.5	Very low	38.2	Very low	236 Å²	236	161.2 Å²	161.2	89%	0.894	80%	0.803	S	S	*	*			trans	-67.4	135.4	170.2	-169	-86.3	0	0	0	109.6	R17 R21	R17-W19 PolarHBondContact O-N 3.22Å; W19-R21 PolarHBondContact O-N 3.34Å
20	P	38.5	Very low	37.6	Very low	89 Å²	89	157.8 Å²	157.8	58%	0.578	80%	0.799	S	S	*	*			trans	-70.1	124.9	176.6	27	-31.4	0	0	0	110.7	R22	P20-R22 PolarHBondContact O-N 2.98Å
21	R	39.8	Very low	37.5	Very low	254 Å²	254	158.5 Å²	158.5	96%	0.958	81%	0.805	S	S	*	*			trans	-60.4	95	172.4	-157	176.7	-163.3	-106.3	4.1	109.2	W19	W19-R21 PolarHBondContact O-N 3.34Å
22	R	35.5	Very low	37.3	Very low	201 Å²	201	153.6 Å²	153.6	76%	0.758	80%	0.801	S	S	*	*			trans	-88.7	109	167.2	-80.6	-172	-168.8	-119.4	0.1	109.1	P20	P20-R22 PolarHBondContact O-N 2.98Å
23	S	35.4	Very low	36.9	Very low	112 Å²	112	154.6 Å²	154.6	78%	0.783	81%	0.808	S	S	*	*			trans	-71.6	115.4	161.4	171.3	0	0	0	0	108.5
24	W	36.7	Very low	37	Very low	219 Å²	219	155.2 Å²	155.2	83%	0.83	81%	0.806	S	S	*	*			trans	-133.2	103.5	157.5	-71.8	68.4	0	0	0	102
25	G	33.1	Very low	36.6	Very low	66 Å²	66	153 Å²	153	68%	0.68	80%	0.8	S	S	*	*				104.7	93.6	72.4	0	0	0	0	0	105	G27	G25-G27 PolarHBondContact O-N 3.05Å
26	D	37.6	Very low	36.8	Very low	173 Å²	173	154.9 Å²	154.9	93%	0.925	81%	0.81	S	S	*	*			trans	-52.7	108.7	177.4	-78.2	-47.6	0	0	0	110.3
27	G	32.6	Very low	36.7	Very low	70 Å²	70	150.1 Å²	150.1	72%	0.722	80%	0.801	S	S	*	*			trans	-114.8	50.9	169.4	0	0	0	0	0	109.9	G25 I29	G25-G27 PolarHBondContact O-N 3.05Å; G27-I29 PolarHBondContact O-N 3.03Å
28	S	33.1	Very low	36.7	Very low	90 Å²	90	150 Å²	150	63%	0.629	80%	0.801	S	S	*	*			trans	-67.3	98.5	167	-166.5	0	0	0	0	107.5	M30	S28-M30 PolarHBondContact O-N 2.84Å
29	I	39.3	Very low	36.7	Very low	171 Å²	171	152.3 Å²	152.3	88%	0.877	80%	0.798	S	S	*	*			trans	-68.3	82.2	160.6	27.4	173.2	0	0	0	107.3	G27 A31	G27-I29 PolarHBondContact O-N 3.03Å; I29-A31 VanDerWaalsContact C-N 3.31Å; I29-A31 PolarHBondContact O-N 3.16Å
30	M	32.3	Very low	36.8	Very low	162 Å²	162	146.7 Å²	146.7	80%	0.798	79%	0.789	S	S	*	*			trans	-64.7	91.3	163.6	-77.9	-92.1	-166.8	0	0	107.9	S28 S32	S28-M30 PolarHBondContact O-N 2.84Å; M30-S32 VanDerWaalsContact C-N 3.25Å; M30-S32 PolarHBondContact O-N 3.15Å; M30-S32 VanDerWaalsContact O-N 3.09Å
31	A	36.7	Very low	36.6	Very low	99 Å²	99	149 Å²	149	82%	0.818	79%	0.793	S	S	*	*			trans	-73.3	91.3	153.6	0	0	0	0	0	107.2	I29 M33	I29-A31 VanDerWaalsContact C-N 3.31Å; I29-A31 PolarHBondContact O-N 3.16Å; A31-M33 PolarHBondContact O-N 2.92Å
32	S	33.7	Very low	36.8	Very low	96 Å²	96	141.5 Å²	141.5	67%	0.671	78%	0.775	S	S	*	*			trans	-67.8	106.7	168.3	172.5	0	0	0	0	109.2	M30	M30-S32 VanDerWaalsContact C-N 3.25Å; M30-S32 PolarHBondContact O-N 3.15Å; M30-S32 VanDerWaalsContact O-N 3.09Å
33	M	33.7	Very low	37.4	Very low	171 Å²	171	142.1 Å²	142.1	84%	0.842	78%	0.777	S	S	*	*			trans	-134.7	99.9	149.7	-73.4	-180	82.5	0	0	107	A31 T35	A31-M33 PolarHBondContact O-N 2.92Å; M33-T35 PolarHBondContact O-N 3.44Å
34	Q	38.5	Very low	38.4	Very low	188 Å²	188	138.3 Å²	138.3	88%	0.879	75%	0.747	S	S	*	*			trans	-76	111.3	163.2	-74.7	175.1	13.7	0	0	107.9
35	T	35.4	Very low	39.9	Very low	122 Å²	122	130.3 Å²	130.3	75%	0.748	72%	0.723	S	S	*	*			trans	-142.6	124	153.6	5.1	0	0	0	0	109.2	M33	M33-T35 PolarHBondContact O-N 3.44Å
36	T	44.5	Very low	42.4	Very low	148 Å²	148	135.5 Å²	135.5	91%	0.908	73%	0.727	S	S	*	*			trans	-43.8	127.5	171.3	40.5	0	0	0	0	113.3
37	G	37.4	Very low	44.8	Very low	69 Å²	69	130.4 Å²	130.4	71%	0.711	69%	0.694	S	S	*	*			trans	167.2	138	170	0	0	0	0	0	110.9	R39	G37-R39 PolarHBondContact O-N 2.95Å
38	R	40.9	Very low	47.5	Very low	246 Å²	246	127.1 Å²	127.1	93%	0.928	66%	0.661	S	S	*	*			trans	-41.7	126.4	-177.5	-68.9	176.7	-170.2	172.7	2.6	111	V40	R38-V40 VanDerWaalsContact C-N 3.28Å; R38-V40 PolarHBondContact O-N 3.42Å
39	R	39.4	Very low	50.2	Low	216 Å²	216	127.9 Å²	127.9	82%	0.815	65%	0.654	S	S	*	*			trans	-60.5	93.1	169.3	-170	-175.3	-127.3	172.1	3.8	107.8	G37 E41	G37-R39 PolarHBondContact O-N 2.95Å; R39-E41 VanDerWaalsContact C-N 3.31Å; R39-E41 HydrophobicContact CG-CG 4.2Å; R39-E41 PolarHBondContact O-N 2.91Å
40	V	38.6	Very low	52.6	Low	118 Å²	118	127.1 Å²	127.1	72%	0.715	65%	0.645	S	S	*	*			trans	-64.4	102.6	155.5	-78	0	0	0	0	104.6	R38 V42	R38-V40 VanDerWaalsContact C-N 3.28Å; R38-V40 PolarHBondContact O-N 3.42Å; V40-V42 VanDerWaalsContact C-N 3.26Å; V40-V42 HydrophobicContact CG2-CG2 4.46Å; V40-V42 VanDerWaalsContact O-CG2 3.3Å; V40-V42 WeakPolarHBondContact O-CG2 3.26Å; V40-V42 PolarHBondContact O-N 3.28Å
41	E	34.7	Very low	55.4	Low	138 Å²	138	119.9 Å²	119.9	65%	0.645	61%	0.609	S	S	*	*			trans	-62.8	99.6	169.2	-74.1	-142.2	154.5	0	0	107.3	R39 W43	R39-E41 VanDerWaalsContact C-N 3.31Å; R39-E41 HydrophobicContact CG-CG 4.2Å; R39-E41 PolarHBondContact O-N 2.91Å; E41-W43 PolarHBondContact O-N 3.41Å
42	V	42.8	Very low	58	Low	97 Å²	97	116.7 Å²	116.7	59%	0.588	58%	0.578	S	S	*	*			trans	-67.6	98.9	178.2	-161.8	0	0	0	0	105.4	V40 F44 P45	V40-V42 VanDerWaalsContact C-N 3.26Å; V40-V42 HydrophobicContact CG2-CG2 4.46Å; V40-V42 VanDerWaalsContact O-CG2 3.3Å; V40-V42 WeakPolarHBondContact O-CG2 3.26Å; V40-V42 PolarHBondContact O-N 3.28Å; V42-F44 HydrophobicContact CG1-CB 3.49Å; V42-F44 VanDerWaalsContact CG1-CB 3.49Å; V42-F44 PolarHBondContact O-N 3.2Å; V42-P45 WeakPolarHBondContact O-CD 3.5Å
43	W	49.1	Very low	60.6	Low	214 Å²	214	116.5 Å²	116.5	81%	0.811	57%	0.569	S	S	*	*			trans	-67.6	-11.6	172.8	-108.1	64.9	0	0	0	112.5	E41 P45	E41-W43 PolarHBondContact O-N 3.41Å; W43-P45 VanDerWaalsContact C-CD 3.42Å
44	F	57.2	Low	63.4	Low	31 Å²	31	110.2 Å²	110.2	14%	0.136	54%	0.544	C	S	.	.	H	α-helix	trans	-61.6	-33.6	-175.2	-139.1	-108.9	0	0	0	117.1	V42 L48 T75 F100 S101 S102	V42-F44 HydrophobicContact CG1-CB 3.49Å; V42-F44 VanDerWaalsContact CG1-CB 3.49Å; V42-F44 PolarHBondContact O-N 3.2Å; F44-L48 HydrophobicContact CD1-CD1 3.73Å; F44-L48 HydrophobicContact CE1-CD1 3.38Å; F44-L48 HydrophobicContact CZ-CD1 3.97Å; F44-T75 HydrophobicContact CE1-CG2 4.03Å; F44-F100 HydrophobicContact CE1-CB 4.27Å; F44-F100 HydrophobicContact CZ-CB 3.91Å; F44-S101 WeakPolarHBondContact CE2-O 3.49Å; F44-S101 VanDerWaalsContact CZ-C 3.5Å; F44-S101 WeakPolarHBondContact CZ-O 3.3Å; F44-S102 WeakPolarHBondContact CD2-O 3.25Å; F44-S102 WeakPolarHBondContact CE2-O 3.36Å
45	P	68.3	Low	65.8	Low	51 Å²	51	101.6 Å²	101.6	33%	0.331	50%	0.504	S	S	.	.	H	α-helix	trans	-72.5	-42.9	-175	-16.6	29.9	0	0	0	113	V42 W43 R47 L48 Q49	V42-P45 WeakPolarHBondContact O-CD 3.5Å; W43-P45 VanDerWaalsContact C-CD 3.42Å; P45-R47 PolarHBondContact O-N 3.01Å; P45-L48 PolarHBondContact O-N 2.94Å; P45-Q49 WeakPolarHBondContact O-CB 3.45Å; P45-Q49 WeakPolarHBondContact O-CG 3.34Å; P45-Q49 PolarHBondContact O-N 3.25Å; P45-Q49 PolarHBondContact O-OE1 3Å
46	K	84.3	Confident	68.4	Low	175 Å²	175	99.6 Å²	99.6	76%	0.761	49%	0.486	S	S	*	.	H	α-helix	trans	-67.1	-41.2	-166.4	-67.9	-174.2	178.5	175.9	0	112.8	K50	K46-K50 WeakPolarHBondContact O-CB 3.21Å; K46-K50 PolarHBondContact O-N 3.43Å; K46-K50 VanDerWaalsContact O-N 3.09Å
47	R	89.1	Confident	70.5	Confident	66 Å²	66	98.8 Å²	98.8	25%	0.249	48%	0.476	C	S	.	.	H	α-helix	trans	-67.3	-51.6	178.9	178	60	-177.8	-99.6	-6.1	111	P45 Q49 K50 E51 Y104 P105 P141 L143	P45-R47 PolarHBondContact O-N 3.01Å; R47-Q49 PolarHBondContact O-N 3.01Å; R47-K50 WeakPolarHBondContact O-CB 3.12Å; R47-K50 PolarHBondContact O-N 2.81Å; R47-E51 IonicContact CZ-OE1 3.52Å; R47-E51 IonicContact NE-OE1 3.2Å; R47-E51 PolarHBondContact NE-OE1 3.2Å; R47-E51 IonicContact NH2-OE1 3.51Å; R47-E51 PolarHBondContact NH2-OE1 3.09Å; R47-E51 WeakPolarHBondContact O-CG 3.49Å; R47-E51 PolarHBondContact O-N 3.29Å; R47-Y104 HydrophobicContact CG-CD1 4.38Å; R47-Y104 HydrophobicContact CG-CE1 3.83Å; R47-P105 HydrophobicContact CG-CB 4.38Å; R47-P105 HydrophobicContact CG-CG 4.13Å; R47-P141 PolarHBondContact NH1-O 2.88Å; R47-P141 PolarHBondContact NH2-O 3.15Å; R47-L143 PolarHBondContact NH2-O 3.09Å
48	L	89.6	Confident	73.1	Confident	2 Å²	2	100.8 Å²	100.8	1%	0.01	47%	0.471	C	S	.	.	H	α-helix	trans	-64.9	-37.9	-179.8	-72.1	177.4	0	0	0	112.3	F44 P45 K50 E51 L52 I74 W77 F100 Y104	F44-L48 HydrophobicContact CD1-CD1 3.73Å; F44-L48 HydrophobicContact CE1-CD1 3.38Å; F44-L48 HydrophobicContact CZ-CD1 3.97Å; P45-L48 PolarHBondContact O-N 2.94Å; L48-K50 VanDerWaalsContact C-N 3.34Å; L48-K50 PolarHBondContact O-N 3.48Å; L48-E51 PolarHBondContact O-N 3.04Å; L48-L52 WeakPolarHBondContact O-CB 3.36Å; L48-L52 PolarHBondContact O-N 3.47Å; L48-I74 HydrophobicContact CD1-CG2 4.43Å; L48-W77 HydrophobicContact CB-CH2 4.45Å; L48-W77 HydrophobicContact CB-CZ2 4.1Å; L48-W77 HydrophobicContact CD2-CH2 4.11Å; L48-W77 HydrophobicContact CD2-CZ2 4.08Å; L48-W77 WeakPolarHBondContact O-CH2 3.46Å; L48-F100 HydrophobicContact CD1-CB 4.2Å; L48-F100 HydrophobicContact CD1-CD2 4.34Å; L48-F100 HydrophobicContact CD1-CG 4.19Å; L48-F100 HydrophobicContact CD2-CB 4.42Å; L48-F100 HydrophobicContact CD2-CD1 3.55Å; L48-F100 HydrophobicContact CD2-CD2 3.92Å; L48-F100 HydrophobicContact CD2-CE1 3.66Å; L48-F100 HydrophobicContact CD2-CE2 4.06Å; L48-F100 HydrophobicContact CD2-CG 3.68Å; L48-F100 HydrophobicContact CD2-CZ 3.93Å; L48-Y104 HydrophobicContact CD2-CD1 3.65Å; L48-Y104 HydrophobicContact CD2-CE1 3.55Å; L48-Y104 HydrophobicContact CG-CD1 4.1Å; L48-Y104 HydrophobicContact CG-CE1 4.3Å
49	Q	88.1	Confident	75.5	Confident	106 Å²	106	91.5 Å²	91.5	50%	0.495	44%	0.442	S	S	.	.	H	α-helix	trans	-61.6	-42.5	173.4	-77	172.2	-25.6	0	0	111.9	P45 R47 E51 L52 L53	P45-Q49 WeakPolarHBondContact O-CB 3.45Å; P45-Q49 WeakPolarHBondContact O-CG 3.34Å; P45-Q49 PolarHBondContact O-N 3.25Å; P45-Q49 PolarHBondContact O-OE1 3Å; R47-Q49 PolarHBondContact O-N 3.01Å; Q49-E51 VanDerWaalsContact C-N 3.33Å; Q49-E51 PolarHBondContact O-N 3.47Å; Q49-L52 PolarHBondContact O-N 3.4Å; Q49-L53 WeakPolarHBondContact O-CB 3.43Å; Q49-L53 VanDerWaalsContact O-CG 3.3Å; Q49-L53 WeakPolarHBondContact O-CG 2.87Å; Q49-L53 PolarHBondContact O-N 2.7Å
50	K	90.1	Very high	78	Confident	155 Å²	155	81.4 Å²	81.4	67%	0.674	40%	0.404	S	S	*	.	H	α-helix	trans	-62.1	-42.7	176.4	-174.1	-178.5	177.5	-175.1	0	111.5	K46 R47 L48 A54	K46-K50 WeakPolarHBondContact O-CB 3.21Å; K46-K50 PolarHBondContact O-N 3.43Å; K46-K50 VanDerWaalsContact O-N 3.09Å; R47-K50 WeakPolarHBondContact O-CB 3.12Å; R47-K50 PolarHBondContact O-N 2.81Å; L48-K50 VanDerWaalsContact C-N 3.34Å; L48-K50 PolarHBondContact O-N 3.48Å; K50-A54 WeakPolarHBondContact O-CB 3.3Å; K50-A54 PolarHBondContact O-N 3.46Å
51	E	92.1	Very high	80.4	Confident	10 Å²	10	81.1 Å²	81.1	5%	0.047	41%	0.405	C	S	.	.	H	α-helix	trans	-70.9	-37.5	178.7	-67.3	-158.5	-172.8	0	0	113.2	R47 L48 Q49 A54 L55 W77 Y104 V145	R47-E51 IonicContact CZ-OE1 3.52Å; R47-E51 IonicContact NE-OE1 3.2Å; R47-E51 PolarHBondContact NE-OE1 3.2Å; R47-E51 IonicContact NH2-OE1 3.51Å; R47-E51 PolarHBondContact NH2-OE1 3.09Å; R47-E51 WeakPolarHBondContact O-CG 3.49Å; R47-E51 PolarHBondContact O-N 3.29Å; L48-E51 PolarHBondContact O-N 3.04Å; Q49-E51 VanDerWaalsContact C-N 3.33Å; Q49-E51 PolarHBondContact O-N 3.47Å; E51-A54 PolarHBondContact O-N 3.4Å; E51-L55 WeakPolarHBondContact O-CG 3.16Å; E51-L55 PolarHBondContact O-N 2.87Å; E51-W77 HydrophobicContact CB-CH2 4.06Å; E51-W77 HydrophobicContact CB-CZ3 4.32Å; E51-Y104 PolarHBondContact OE1-OH 3.44Å; E51-Y104 PolarHBondContact OE2-OH 2.82Å; E51-V145 VanDerWaalsContact OE2-CB 3.29Å; E51-V145 WeakPolarHBondContact OE2-CB 3.17Å; E51-V145 WeakPolarHBondContact OE2-CG2 3.31Å; E51-V145 PolarHBondContact OE2-N 3.47Å
52	L	89.7	Confident	83	Confident	31 Å²	31	76.6 Å²	76.6	16%	0.162	40%	0.396	C	S	.	.	H	α-helix	trans	-57.2	-51.5	173.1	172.8	60.2	0	0	0	110.4	L48 Q49 A54 L55 Q56 L65 V70 W77	L48-L52 WeakPolarHBondContact O-CB 3.36Å; L48-L52 PolarHBondContact O-N 3.47Å; Q49-L52 PolarHBondContact O-N 3.4Å; L52-A54 VanDerWaalsContact C-N 3.31Å; L52-A54 PolarHBondContact O-N 3.12Å; L52-L55 PolarHBondContact O-N 3.48Å; L52-Q56 HydrophobicContact CD1-CG 4.18Å; L52-Q56 WeakPolarHBondContact O-CB 3.38Å; L52-Q56 WeakPolarHBondContact O-CG 3.5Å; L52-Q56 PolarHBondContact O-N 2.83Å; L52-L65 HydrophobicContact CD1-CD2 3.19Å; L52-V70 HydrophobicContact CD1-CB 4.45Å; L52-V70 HydrophobicContact CD1-CG1 3.79Å; L52-V70 HydrophobicContact CD1-CG2 4.02Å; L52-V70 HydrophobicContact CD2-CG1 3.67Å; L52-V70 HydrophobicContact CG-CG1 4.39Å; L52-W77 HydrophobicContact CB-CH2 3.85Å; L52-W77 HydrophobicContact CB-CZ2 3.96Å
53	L	89.9	Confident	85.5	Confident	93 Å²	93	72.3 Å²	72.3	49%	0.487	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-39.2	177.6	-70.3	171.4	0	0	0	111.9	Q49 Q56 N57	Q49-L53 WeakPolarHBondContact O-CB 3.43Å; Q49-L53 VanDerWaalsContact O-CG 3.3Å; Q49-L53 WeakPolarHBondContact O-CG 2.87Å; Q49-L53 PolarHBondContact O-N 2.7Å; L53-Q56 PolarHBondContact O-N 2.69Å; L53-N57 VanDerWaalsContact O-CB 3.26Å; L53-N57 WeakPolarHBondContact O-CB 3.46Å; L53-N57 PolarHBondContact O-N 3.26Å; L53-N57 PolarHBondContact O-ND2 2.7Å; L53-N57 VanDerWaalsContact O-ND2 3.15Å
54	A	90.9	Very high	87.6	Confident	39 Å²	39	66.4 Å²	66.4	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-46.7	176.6	0	0	0	0	0	111.6	K50 E51 L52 N57 D58	K50-A54 WeakPolarHBondContact O-CB 3.3Å; K50-A54 PolarHBondContact O-N 3.46Å; E51-A54 PolarHBondContact O-N 3.4Å; L52-A54 VanDerWaalsContact C-N 3.31Å; L52-A54 PolarHBondContact O-N 3.12Å; A54-N57 PolarHBondContact O-N 2.75Å; A54-D58 CarbonylContact O-C 3.58Å; A54-D58 PolarHBondContact O-N 3.27Å
55	L	90.3	Very high	89.3	Confident	7 Å²	7	65.7 Å²	65.7	4%	0.037	35%	0.354	C	S	.	.	H	α-helix	trans	-68.8	-32.4	177.9	-70.7	171	0	0	0	113.4	E51 L52 P59 L65 W77 V145 Q146	E51-L55 WeakPolarHBondContact O-CG 3.16Å; E51-L55 PolarHBondContact O-N 2.87Å; L52-L55 PolarHBondContact O-N 3.48Å; L55-P59 WeakPolarHBondContact O-CA 3.34Å; L55-P59 VanDerWaalsContact O-CB 3.32Å; L55-P59 WeakPolarHBondContact O-CB 3.5Å; L55-P59 WeakPolarHBondContact O-CD 3.49Å; L55-L65 HydrophobicContact CB-CD2 4.42Å; L55-W77 HydrophobicContact CD1-CE3 4.06Å; L55-W77 HydrophobicContact CD1-CZ3 3.78Å; L55-V145 HydrophobicContact CD1-CB 4.05Å; L55-V145 HydrophobicContact CD1-CG1 3.51Å; L55-Q146 HydrophobicContact CD2-CB 4.04Å; L55-Q146 HydrophobicContact CD2-CG 4.3Å
56	Q	88.9	Confident	90.2	Very high	80 Å²	80	65.4 Å²	65.4	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-71.9	-39	175.9	-75.4	-177	-53.2	0	0	111.9	L52 L53 L65	L52-Q56 HydrophobicContact CD1-CG 4.18Å; L52-Q56 WeakPolarHBondContact O-CB 3.38Å; L52-Q56 WeakPolarHBondContact O-CG 3.5Å; L52-Q56 PolarHBondContact O-N 2.83Å; L53-Q56 PolarHBondContact O-N 2.69Å; Q56-L65 HydrophobicContact CG-CD2 4.05Å
57	N	90	Very high	89.9	Confident	131 Å²	131	62.4 Å²	62.4	70%	0.701	34%	0.339	S	S	*	.	H	α-helix	trans	-79.5	-38.3	-177.2	-68.7	-22.9	0	0	0	112.7	L53 A54	L53-N57 VanDerWaalsContact O-CB 3.26Å; L53-N57 WeakPolarHBondContact O-CB 3.46Å; L53-N57 PolarHBondContact O-N 3.26Å; L53-N57 PolarHBondContact O-ND2 2.7Å; L53-N57 VanDerWaalsContact O-ND2 3.15Å; A54-N57 PolarHBondContact O-N 2.75Å
58	D	90.9	Very high	89.1	Confident	111 Å²	111	66.6 Å²	66.6	59%	0.594	36%	0.359	S	S	*	.	S	Bend	trans	-145.8	71.3	-174.1	-171.4	34.9	0	0	0	110.8	A54 Q146	A54-D58 CarbonylContact O-C 3.58Å; A54-D58 PolarHBondContact O-N 3.27Å; D58-Q146 PolarHBondContact O-NE2 2.93Å; D58-Q146 VanDerWaalsContact O-NE2 3.16Å
59	P	92	Very high	88.5	Confident	50 Å²	50	67.5 Å²	67.5	33%	0.325	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-67.7	148.6	176.7	27.5	-32.4	0	0	0	111	L55 M63	L55-P59 WeakPolarHBondContact O-CA 3.34Å; L55-P59 VanDerWaalsContact O-CB 3.32Å; L55-P59 WeakPolarHBondContact O-CB 3.5Å; L55-P59 WeakPolarHBondContact O-CD 3.49Å; P59-M63 WeakPolarHBondContact CB-O 3.32Å
60	P	91.9	Very high	87.8	Confident	4 Å²	4	63.3 Å²	63.3	3%	0.026	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-54	149.3	170.4	-26.9	36.3	0	0	0	112.5	G62 M63 Q146 C149 L150 I153	P60-G62 PolarHBondContact O-N 2.83Å; P60-M63 HydrophobicContact CB-CB 4.34Å; P60-M63 HydrophobicContact CB-SD 4.05Å; P60-M63 HydrophobicContact CG-SD 4.16Å; P60-M63 WeakPolarHBondContact O-CB 3.34Å; P60-M63 PolarHBondContact O-N 3.06Å; P60-Q146 HydrophobicContact CG-CG 3.78Å; P60-C149 HydrophobicContact CG-CB 4.03Å; P60-L150 HydrophobicContact CB-CD2 3.88Å; P60-L150 HydrophobicContact CB-CG 4.41Å; P60-L150 HydrophobicContact CG-CD2 4.27Å; P60-L150 HydrophobicContact CG-CG 4.29Å; P60-I153 HydrophobicContact CB-CD1 3.95Å
61	P	88.8	Confident	86.7	Confident	112 Å²	112	63.1 Å²	63.1	73%	0.727	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	133.7	176.8	-25.8	34.3	0	0	0	111.9	M63	P61-M63 PolarHBondContact O-N 2.79Å
62	G	89.8	Confident	85.7	Confident	44 Å²	44	69.4 Å²	69.4	45%	0.454	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	8	-177.9	0	0	0	0	0	114.3	P60 M81 E82	P60-G62 PolarHBondContact O-N 2.83Å; G62-M81 CarbonylContact O-C 3.58Å; G62-M81 WeakPolarHBondContact O-CA 3.47Å; G62-E82 PolarHBondContact O-N 3.25Å
63	M	93.7	Very high	85	Confident	7 Å²	7	69.7 Å²	69.7	3%	0.034	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.9	175.4	-73.7	-177.4	164.8	0	0	113.1	P59 P60 P61 V79 D80 M81 L96 C149 I153	P59-M63 WeakPolarHBondContact CB-O 3.32Å; P60-M63 HydrophobicContact CB-CB 4.34Å; P60-M63 HydrophobicContact CB-SD 4.05Å; P60-M63 HydrophobicContact CG-SD 4.16Å; P60-M63 WeakPolarHBondContact O-CB 3.34Å; P60-M63 PolarHBondContact O-N 3.06Å; P61-M63 PolarHBondContact O-N 2.79Å; M63-V79 HydrophobicContact CB-CG1 4.09Å; M63-V79 HydrophobicContact CG-CG1 4.22Å; M63-V79 HydrophobicContact SD-CG1 4.13Å; M63-D80 CarbonylContact C-O 3.48Å; M63-D80 VanDerWaalsContact CA-O 3.23Å; M63-D80 WeakPolarHBondContact CA-O 3.33Å; M63-M81 HydrophobicContact CE-CB 4.16Å; M63-M81 HydrophobicContact CE-CE 3.09Å; M63-M81 HydrophobicContact CE-CG 3.83Å; M63-M81 HydrophobicContact CE-SD 4.18Å; M63-M81 HydrophobicContact CG-CB 4.18Å; M63-M81 HydrophobicContact CG-CG 4.15Å; M63-L96 HydrophobicContact CE-CD1 3.88Å; M63-C149 HydrophobicContact CE-CB 3.86Å; M63-C149 HydrophobicContact SD-CB 3.36Å; M63-C149 WeakPolarHBondContact SD-CB 3.43Å; M63-C149 VanDerWaalsContact SD-SG 3.61Å; M63-I153 HydrophobicContact CE-CD1 3.64Å; M63-I153 HydrophobicContact CE-CG1 3.53Å; M63-I153 HydrophobicContact CG-CD1 3.97Å; M63-I153 HydrophobicContact SD-CD1 3.66Å; M63-I153 HydrophobicContact SD-CG1 4.26Å
64	T	93.6	Very high	84.3	Confident	89 Å²	89	70.3 Å²	70.3	55%	0.546	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	134.5	174.8	-55.1	0	0	0	0	110	V79 D80	T64-V79 CarbonylContact O-C 3.53Å; T64-V79 WeakPolarHBondContact O-CA 3.37Å; T64-D80 PolarHBondContact N-O 3.26Å; T64-D80 PolarHBondContact O-N 3.32Å
65	L	92.4	Very high	84	Confident	16 Å²	16	71.1 Å²	71.1	8%	0.084	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	129.6	175.8	-175.1	68.2	0	0	0	110.3	L52 L55 Q56 E67 V70 W77 V79	L52-L65 HydrophobicContact CD1-CD2 3.19Å; L55-L65 HydrophobicContact CB-CD2 4.42Å; Q56-L65 HydrophobicContact CG-CD2 4.05Å; L65-E67 PolarHBondContact O-N 2.97Å; L65-V70 HydrophobicContact CD1-CG2 4.19Å; L65-V70 HydrophobicContact CD2-CG2 3.95Å; L65-V70 HydrophobicContact CG-CG2 4.08Å; L65-W77 HydrophobicContact CD1-CB 4.07Å; L65-W77 HydrophobicContact CD1-CE3 4.35Å; L65-W77 HydrophobicContact CD1-CG 4.45Å; L65-V79 HydrophobicContact CD1-CG2 3.86Å
66	N	88.6	Confident	84	Confident	45 Å²	45	74.7 Å²	74.7	24%	0.241	41%	0.407	C	S	.	.			trans	-80	101.1	176.2	-168.1	-47.3	0	0	0	110.5	K68 S69 I78	N66-K68 VanDerWaalsContact C-N 3.25Å; N66-K68 PolarHBondContact O-N 2.96Å; N66-K68 WeakPolarHBondContact OD1-CB 3.03Å; N66-K68 PolarHBondContact OD1-N 3.34Å; N66-S69 VanDerWaalsContact O-CB 3.31Å; N66-S69 WeakPolarHBondContact O-CB 3.48Å; N66-S69 PolarHBondContact O-N 3.35Å; N66-S69 PolarHBondContact OD1-N 2.96Å; N66-I78 HydrophobicContact CB-CB 3.95Å; N66-I78 HydrophobicContact CB-CG2 4.1Å; N66-I78 VanDerWaalsContact CB-O 3.25Å; N66-I78 WeakPolarHBondContact CB-O 3.32Å; N66-I78 PolarHBondContact N-O 2.82Å
67	E	76.8	Confident	84.3	Confident	112 Å²	112	70.9 Å²	70.9	52%	0.523	39%	0.389	S	S	.	.	H	α-helix	trans	-58.9	-34.2	-175.6	-59.4	-169.6	154.6	0	0	113.4	L65 S69 V70 Q71	L65-E67 PolarHBondContact O-N 2.97Å; E67-S69 VanDerWaalsContact C-N 3.28Å; E67-S69 PolarHBondContact O-N 3.45Å; E67-V70 PolarHBondContact O-N 3.22Å; E67-Q71 WeakPolarHBondContact O-CG 3.29Å; E67-Q71 PolarHBondContact O-N 3.09Å
68	K	73.8	Confident	84.5	Confident	155 Å²	155	66 Å²	66	67%	0.674	36%	0.363	S	S	*	.	H	α-helix	trans	-64.1	-35.2	178.4	-63.7	-178.9	-179.9	177	0	111.5	N66 V70 N72	N66-K68 VanDerWaalsContact C-N 3.25Å; N66-K68 PolarHBondContact O-N 2.96Å; N66-K68 WeakPolarHBondContact OD1-CB 3.03Å; N66-K68 PolarHBondContact OD1-N 3.34Å; K68-V70 VanDerWaalsContact C-N 3.34Å; K68-N72 VanDerWaalsContact O-CG 3.29Å; K68-N72 PolarHBondContact O-N 3.31Å; K68-N72 PolarHBondContact O-ND2 3.14Å; K68-N72 VanDerWaalsContact O-ND2 3.09Å
69	S	76.1	Confident	84.7	Confident	20 Å²	20	61 Å²	61	14%	0.14	34%	0.336	C	S	.	.	H	α-helix	trans	-62.2	-44.6	175.4	-175.2	0	0	0	0	111.2	N66 E67 N72 S73 Q76 I78	N66-S69 VanDerWaalsContact O-CB 3.31Å; N66-S69 WeakPolarHBondContact O-CB 3.48Å; N66-S69 PolarHBondContact O-N 3.35Å; N66-S69 PolarHBondContact OD1-N 2.96Å; E67-S69 VanDerWaalsContact C-N 3.28Å; E67-S69 PolarHBondContact O-N 3.45Å; S69-N72 PolarHBondContact O-N 2.95Å; S69-S73 PolarHBondContact O-N 2.9Å; S69-S73 VanDerWaalsContact O-N 3.09Å; S69-Q76 PolarHBondContact OG-O 3.47Å; S69-I78 PolarHBondContact OG-N 3.07Å; S69-I78 VanDerWaalsContact OG-N 3.15Å
70	V	73.2	Confident	84.9	Confident	19 Å²	19	61 Å²	61	12%	0.115	33%	0.334	C	S	.	.	H	α-helix	trans	-69.9	-37.5	-176.1	-175.1	0	0	0	0	111.5	L52 L65 E67 K68 N72 S73 W77	L52-V70 HydrophobicContact CD1-CB 4.45Å; L52-V70 HydrophobicContact CD1-CG1 3.79Å; L52-V70 HydrophobicContact CD1-CG2 4.02Å; L52-V70 HydrophobicContact CD2-CG1 3.67Å; L52-V70 HydrophobicContact CG-CG1 4.39Å; L65-V70 HydrophobicContact CD1-CG2 4.19Å; L65-V70 HydrophobicContact CD2-CG2 3.95Å; L65-V70 HydrophobicContact CG-CG2 4.08Å; E67-V70 PolarHBondContact O-N 3.22Å; K68-V70 VanDerWaalsContact C-N 3.34Å; V70-N72 VanDerWaalsContact C-N 3.29Å; V70-N72 PolarHBondContact O-N 3.26Å; V70-S73 CarbonylContact O-C 3.59Å; V70-S73 PolarHBondContact O-N 2.64Å; V70-W77 HydrophobicContact CG2-CG 4.12Å
71	Q	66.4	Low	85	Confident	150 Å²	150	61.1 Å²	61.1	70%	0.701	33%	0.334	S	S	*	.	H	α-helix	trans	-62.7	-36.4	175.9	-71.9	172.6	-1.7	0	0	112.3	E67	E67-Q71 WeakPolarHBondContact O-CG 3.29Å; E67-Q71 PolarHBondContact O-N 3.09Å
72	N	71.2	Confident	85.4	Confident	142 Å²	142	60.2 Å²	60.2	76%	0.759	32%	0.32	S	S	*	.	H	α-helix	trans	-78.8	-34.1	-179.9	-69.7	-28.1	0	0	0	112.8	K68 S69 V70	K68-N72 VanDerWaalsContact O-CG 3.29Å; K68-N72 PolarHBondContact O-N 3.31Å; K68-N72 PolarHBondContact O-ND2 3.14Å; K68-N72 VanDerWaalsContact O-ND2 3.09Å; S69-N72 PolarHBondContact O-N 2.95Å; V70-N72 VanDerWaalsContact C-N 3.29Å; V70-N72 PolarHBondContact O-N 3.26Å
73	S	75.9	Confident	85.6	Confident	37 Å²	37	58.5 Å²	58.5	26%	0.259	30%	0.302	S	S	.	.			trans	-154.9	120.8	178.5	-176.5	0	0	0	0	112.3	S69 V70 T75 Q76	S69-S73 PolarHBondContact O-N 2.9Å; S69-S73 VanDerWaalsContact O-N 3.09Å; V70-S73 CarbonylContact O-C 3.59Å; V70-S73 PolarHBondContact O-N 2.64Å; S73-T75 PolarHBondContact O-N 2.95Å; S73-T75 PolarHBondContact OG-N 2.92Å; S73-T75 PolarHBondContact OG-OG1 2.82Å; S73-T75 VanDerWaalsContact OG-OG1 3.06Å; S73-Q76 PolarHBondContact O-N 2.91Å; S73-Q76 VanDerWaalsContact O-O 3.05Å
74	I	76.3	Confident	85.7	Confident	106 Å²	106	59.6 Å²	59.6	54%	0.544	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.5	175.6	-58.5	170.7	0	0	0	111.3	L48 W77	L48-I74 HydrophobicContact CD1-CG2 4.43Å; I74-W77 PolarHBondContact O-NE1 3.25Å
75	T	84.1	Confident	85.7	Confident	56 Å²	56	60.8 Å²	60.8	34%	0.344	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-3.9	-175.6	64.8	0	0	0	0	113.6	F44 S73 K99 F100	F44-T75 HydrophobicContact CE1-CG2 4.03Å; S73-T75 PolarHBondContact O-N 2.95Å; S73-T75 PolarHBondContact OG-N 2.92Å; S73-T75 PolarHBondContact OG-OG1 2.82Å; S73-T75 VanDerWaalsContact OG-OG1 3.06Å; T75-K99 WeakPolarHBondContact O-CA 3.33Å; T75-F100 WeakPolarHBondContact O-CD2 3.44Å; T75-F100 PolarHBondContact O-N 3.38Å
76	Q	90.7	Very high	85.7	Confident	82 Å²	82	63.6 Å²	63.6	38%	0.383	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	118.7	-179.3	-58.4	-168	-10.7	0	0	112	S69 S73 F98 K99	S69-Q76 PolarHBondContact OG-O 3.47Å; S73-Q76 PolarHBondContact O-N 2.91Å; S73-Q76 VanDerWaalsContact O-O 3.05Å; Q76-F98 CarbonylContact C-O 3.57Å; Q76-F98 VanDerWaalsContact CA-O 3.25Å; Q76-F98 WeakPolarHBondContact CA-O 3.33Å; Q76-K99 HydrophobicContact CG-CG 4.06Å
77	W	93.5	Very high	86.1	Confident	1 Å²	1	62.8 Å²	62.8	0%	0.004	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.6	-179.7	-56.9	-10.3	0	0	0	110.7	L48 E51 L52 L55 L65 V70 I74 F98 F100 V145	L48-W77 HydrophobicContact CB-CH2 4.45Å; L48-W77 HydrophobicContact CB-CZ2 4.1Å; L48-W77 HydrophobicContact CD2-CH2 4.11Å; L48-W77 HydrophobicContact CD2-CZ2 4.08Å; L48-W77 WeakPolarHBondContact O-CH2 3.46Å; E51-W77 HydrophobicContact CB-CH2 4.06Å; E51-W77 HydrophobicContact CB-CZ3 4.32Å; L52-W77 HydrophobicContact CB-CH2 3.85Å; L52-W77 HydrophobicContact CB-CZ2 3.96Å; L55-W77 HydrophobicContact CD1-CE3 4.06Å; L55-W77 HydrophobicContact CD1-CZ3 3.78Å; L65-W77 HydrophobicContact CD1-CB 4.07Å; L65-W77 HydrophobicContact CD1-CE3 4.35Å; L65-W77 HydrophobicContact CD1-CG 4.45Å; V70-W77 HydrophobicContact CG2-CG 4.12Å; I74-W77 PolarHBondContact O-NE1 3.25Å; W77-F98 HydrophobicContact CB-CB 4.28Å; W77-F98 PolarHBondContact N-O 3.31Å; W77-F98 PolarHBondContact O-N 2.85Å; W77-F100 HydrophobicContact CB-CE2 4.4Å; W77-F100 AromaticContact CD2-CE2 3.47Å; W77-F100 HydrophobicContact CD2-CE2 3.47Å; W77-F100 VanDerWaalsContact CD2-CE2 3.47Å; W77-F100 AromaticContact CD2-CZ 3.87Å; W77-F100 HydrophobicContact CD2-CZ 3.87Å; W77-F100 AromaticContact CE2-CE2 3.67Å; W77-F100 AromaticContact CE3-CE2 3.81Å; W77-F100 HydrophobicContact CE3-CE2 3.81Å; W77-F100 AromaticContact CE3-CZ 3.68Å; W77-F100 HydrophobicContact CE3-CZ 3.68Å; W77-F100 AromaticContact CG-CE2 3.76Å; W77-F100 HydrophobicContact CG-CE2 3.76Å; W77-F100 HydrophobicContact CG-CZ 4.48Å; W77-F100 HydrophobicContact CH2-CE2 4.45Å; W77-F100 HydrophobicContact CH2-CZ 4.29Å; W77-F100 HydrophobicContact CZ2-CE2 4.18Å; W77-F100 HydrophobicContact CZ2-CZ 4.46Å; W77-F100 HydrophobicContact CZ3-CE2 4.29Å; W77-F100 AromaticContact CZ3-CZ 3.91Å; W77-F100 HydrophobicContact CZ3-CZ 3.91Å; W77-F100 AromaticContact NE1-CE2 3.98Å; W77-V145 HydrophobicContact CE3-CG1 4.45Å; W77-V145 HydrophobicContact CE3-CG2 4.49Å; W77-V145 HydrophobicContact CZ3-CB 4.44Å; W77-V145 HydrophobicContact CZ3-CG1 4.43Å; W77-V145 HydrophobicContact CZ3-CG2 4.07Å
78	I	94.9	Very high	87	Confident	29 Å²	29	61 Å²	61	15%	0.149	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.8	167.3	-60.9	-63.8	0	0	0	107.9	N66 S69 Q95 L96 L97 T114	N66-I78 HydrophobicContact CB-CB 3.95Å; N66-I78 HydrophobicContact CB-CG2 4.1Å; N66-I78 VanDerWaalsContact CB-O 3.25Å; N66-I78 WeakPolarHBondContact CB-O 3.32Å; N66-I78 PolarHBondContact N-O 2.82Å; S69-I78 PolarHBondContact OG-N 3.07Å; S69-I78 VanDerWaalsContact OG-N 3.15Å; I78-Q95 HydrophobicContact CG2-CB 4.38Å; I78-L96 CarbonylContact C-O 3.48Å; I78-L96 VanDerWaalsContact CA-O 3.31Å; I78-L96 WeakPolarHBondContact CA-O 3.36Å; I78-L97 HydrophobicContact CD1-CB 3.96Å; I78-L97 HydrophobicContact CD1-CD1 3.63Å; I78-L97 HydrophobicContact CD1-CG 4.31Å; I78-T114 HydrophobicContact CD1-CG2 3.9Å
79	V	95.3	Very high	88.1	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.3	173.1	179.3	0	0	0	0	107.4	M63 T64 L65 L96 F98	M63-V79 HydrophobicContact CB-CG1 4.09Å; M63-V79 HydrophobicContact CG-CG1 4.22Å; M63-V79 HydrophobicContact SD-CG1 4.13Å; T64-V79 CarbonylContact O-C 3.53Å; T64-V79 WeakPolarHBondContact O-CA 3.37Å; L65-V79 HydrophobicContact CD1-CG2 3.86Å; V79-L96 HydrophobicContact CB-CB 4.3Å; V79-L96 PolarHBondContact N-O 3.41Å; V79-L96 PolarHBondContact O-N 3.18Å; V79-F98 HydrophobicContact CB-CE2 4.16Å; V79-F98 HydrophobicContact CG2-CD2 3.88Å; V79-F98 HydrophobicContact CG2-CE2 3.76Å
80	D	95.6	Very high	89.1	Confident	52 Å²	52	58.3 Å²	58.3	28%	0.278	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	137.6	172	-62	-44.5	0	0	0	108.3	M63 T64 Q95	M63-D80 CarbonylContact C-O 3.48Å; M63-D80 VanDerWaalsContact CA-O 3.23Å; M63-D80 WeakPolarHBondContact CA-O 3.33Å; T64-D80 PolarHBondContact N-O 3.26Å; T64-D80 PolarHBondContact O-N 3.32Å; D80-Q95 WeakPolarHBondContact OD1-CG 2.85Å; D80-Q95 PolarHBondContact OD1-NE2 3.22Å
81	M	95.6	Very high	90.1	Very high	6 Å²	6	59.7 Å²	59.7	3%	0.03	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135	-177.9	179.4	-158	-67	0	0	109.6	G62 M63 K93 F94 L96 F113 I152 I153 L156	G62-M81 CarbonylContact O-C 3.58Å; G62-M81 WeakPolarHBondContact O-CA 3.47Å; M63-M81 HydrophobicContact CE-CB 4.16Å; M63-M81 HydrophobicContact CE-CE 3.09Å; M63-M81 HydrophobicContact CE-CG 3.83Å; M63-M81 HydrophobicContact CE-SD 4.18Å; M63-M81 HydrophobicContact CG-CB 4.18Å; M63-M81 HydrophobicContact CG-CG 4.15Å; M81-K93 CarbonylContact O-C 3.54Å; M81-K93 WeakPolarHBondContact O-CA 2.84Å; M81-F94 HydrophobicContact CB-CB 4.49Å; M81-F94 PolarHBondContact N-O 2.98Å; M81-F94 PolarHBondContact O-N 3.04Å; M81-F94 HydrophobicContact SD-CD2 4.2Å; M81-L96 HydrophobicContact CE-CD1 3.45Å; M81-L96 VanDerWaalsContact CE-CD1 3.45Å; M81-L96 HydrophobicContact CE-CD2 4.35Å; M81-L96 HydrophobicContact CE-CG 3.92Å; M81-F113 HydrophobicContact CE-CE1 4.15Å; M81-F113 HydrophobicContact CE-CZ 4.35Å; M81-F113 HydrophobicContact SD-CE1 4.34Å; M81-I152 HydrophobicContact CE-CB 4.22Å; M81-I152 HydrophobicContact CE-CG2 3.45Å; M81-I152 VanDerWaalsContact CE-CG2 3.45Å; M81-I153 HydrophobicContact CE-CG1 4.45Å; M81-L156 HydrophobicContact CE-CD1 4.49Å; M81-L156 HydrophobicContact SD-CD1 3.68Å
82	E	96.1	Very high	91.5	Very high	93 Å²	93	55.5 Å²	55.5	44%	0.435	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.2	168.9	-168.5	168	152.7	0	0	109.4	G62 E92 K93	G62-E82 PolarHBondContact O-N 3.25Å; E82-E92 CarbonylContact C-O 3.52Å; E82-E92 WeakPolarHBondContact CA-O 3.31Å; E82-K93 HydrophobicContact CG-CG 4.49Å
83	G	94.8	Very high	92.7	Very high	7 Å²	7	55.7 Å²	55.7	7%	0.072	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-65.3	137.1	179	0	0	0	0	0	111.7	Y89 E92	G83-Y89 VanDerWaalsContact CA-O 3.31Å; G83-Y89 WeakPolarHBondContact CA-O 3.4Å; G83-E92 PolarHBondContact N-O 3.19Å
84	A	94.1	Very high	93.7	Very high	30 Å²	30	54.1 Å²	54.1	25%	0.248	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-67	148.5	-171.8	0	0	0	0	0	112.4	T87	A84-T87 HydrophobicContact CB-CG2 3.91Å; A84-T87 WeakPolarHBondContact O-CB 3.35Å; A84-T87 WeakPolarHBondContact O-CG2 3.34Å; A84-T87 PolarHBondContact O-N 3.38Å; A84-T87 PolarHBondContact O-OG1 2.89Å
85	P	94.3	Very high	94.7	Very high	115 Å²	115	52.3 Å²	52.3	75%	0.747	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	143.1	175	-22.8	33.1	0	0	0	112.6	T87	P85-T87 VanDerWaalsContact C-N 3.25Å; P85-T87 PolarHBondContact O-N 2.75Å
86	G	93.6	Very high	95.3	Very high	75 Å²	75	49.7 Å²	49.7	77%	0.773	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	9.1	-179	0	0	0	0	0	114.5	E90	G86-E90 PolarHBondContact N-OE2 3.35Å
87	T	95.6	Very high	95.5	Very high	27 Å²	27	46.8 Å²	46.8	17%	0.166	27%	0.273	C	S	.	.	S	Bend	trans	-107.8	166.3	177.5	76	0	0	0	0	111.2	A84 P85 Y89 E90	A84-T87 HydrophobicContact CB-CG2 3.91Å; A84-T87 WeakPolarHBondContact O-CB 3.35Å; A84-T87 WeakPolarHBondContact O-CG2 3.34Å; A84-T87 PolarHBondContact O-N 3.38Å; A84-T87 PolarHBondContact O-OG1 2.89Å; P85-T87 VanDerWaalsContact C-N 3.25Å; P85-T87 PolarHBondContact O-N 2.75Å; T87-Y89 PolarHBondContact O-N 3.38Å; T87-Y89 PolarHBondContact OG1-N 2.82Å; T87-E90 WeakPolarHBondContact O-CB 3.23Å; T87-E90 PolarHBondContact O-N 2.88Å; T87-E90 PolarHBondContact OG1-N 3.05Å
88	L	96.4	Very high	95.6	Very high	74 Å²	74	46.7 Å²	46.7	39%	0.387	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.1	174.3	-63.4	-178.1	0	0	0	113.5	C159 K162	L88-C159 WeakPolarHBondContact CD1-O 3.25Å; L88-K162 HydrophobicContact CB-CG 4.3Å; L88-K162 HydrophobicContact CD1-CG 4.19Å; L88-K162 WeakPolarHBondContact O-CE 3.48Å; L88-K162 PolarHBondContact O-NZ 3.45Å
89	Y	96.8	Very high	95.5	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	7.9	-175.9	-54	-79.8	0	0	0	112.9	G83 T87 G91 E92 F94 P119 V120 H121 L156 C159 K162	G83-Y89 VanDerWaalsContact CA-O 3.31Å; G83-Y89 WeakPolarHBondContact CA-O 3.4Å; T87-Y89 PolarHBondContact O-N 3.38Å; T87-Y89 PolarHBondContact OG1-N 2.82Å; Y89-G91 PolarHBondContact O-N 3.27Å; Y89-E92 WeakPolarHBondContact O-CB 3.31Å; Y89-E92 PolarHBondContact O-N 3.09Å; Y89-F94 HydrophobicContact CD1-CE2 4.4Å; Y89-F94 AromaticContact CD1-CZ 3.88Å; Y89-F94 HydrophobicContact CD1-CZ 3.88Å; Y89-F94 HydrophobicContact CG-CZ 4.42Å; Y89-P119 HydrophobicContact CD1-CB 4.19Å; Y89-P119 HydrophobicContact CE1-CB 3.88Å; Y89-V120 PolarHBondContact OH-O 3.09Å; Y89-H121 WeakPolarHBondContact OH-CB 3.44Å; Y89-H121 PolarHBondContact OH-CD2 2.58Å; Y89-H121 VanDerWaalsContact OH-CD2 3.26Å; Y89-L156 HydrophobicContact CD2-CB 3.87Å; Y89-L156 HydrophobicContact CD2-CD2 4.27Å; Y89-L156 WeakPolarHBondContact CD2-O 2.86Å; Y89-L156 HydrophobicContact CE1-CD2 4.44Å; Y89-L156 HydrophobicContact CE2-CB 4.02Å; Y89-L156 HydrophobicContact CE2-CD2 3.87Å; Y89-L156 VanDerWaalsContact CE2-O 3.3Å; Y89-L156 WeakPolarHBondContact CE2-O 3.29Å; Y89-C159 HydrophobicContact CE2-CB 3.91Å; Y89-K162 HydrophobicContact CE1-CD 4.18Å; Y89-K162 HydrophobicContact CE1-CG 4.1Å
90	E	96.4	Very high	95.4	Very high	119 Å²	119	49 Å²	49	56%	0.556	28%	0.282	S	S	*	.	B	Isolated β-bridge	trans	-48.9	128.5	-178.8	178.8	174.7	158.6	0	0	112.3	G86 T87 E92	G86-E90 PolarHBondContact N-OE2 3.35Å; T87-E90 WeakPolarHBondContact O-CB 3.23Å; T87-E90 PolarHBondContact O-N 2.88Å; T87-E90 PolarHBondContact OG1-N 3.05Å; E90-E92 PolarHBondContact O-N 3.44Å; E90-E92 VanDerWaalsContact O-N 3.17Å
91	G	94.1	Very high	95.2	Very high	48 Å²	48	48.5 Å²	48.5	50%	0.495	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	-7.5	178.5	0	0	0	0	0	115.3	Y89	Y89-G91 PolarHBondContact O-N 3.27Å
92	E	96.1	Very high	94.8	Very high	61 Å²	61	53.4 Å²	53.4	29%	0.285	32%	0.317	S	S	.	.			trans	-76.5	140.4	172.7	-64.7	-176.1	-157.2	0	0	110.8	E82 G83 Y89 E90 F94 K162	E82-E92 CarbonylContact C-O 3.52Å; E82-E92 WeakPolarHBondContact CA-O 3.31Å; G83-E92 PolarHBondContact N-O 3.19Å; Y89-E92 WeakPolarHBondContact O-CB 3.31Å; Y89-E92 PolarHBondContact O-N 3.09Å; E90-E92 PolarHBondContact O-N 3.44Å; E90-E92 VanDerWaalsContact O-N 3.17Å; E92-F94 HydrophobicContact CB-CE1 4.17Å; E92-F94 HydrophobicContact CB-CE2 3.78Å; E92-F94 HydrophobicContact CB-CZ 3.45Å; E92-F94 VanDerWaalsContact CB-CZ 3.45Å; E92-F94 HydrophobicContact CG-CZ 4.37Å; E92-F94 WeakPolarHBondContact OE2-CZ 3.36Å; E92-K162 IonicContact OE1-NZ 3.13Å; E92-K162 PolarHBondContact OE1-NZ 2.61Å; E92-K162 IonicContact OE2-NZ 2.7Å
93	K	96.4	Very high	94.5	Very high	146 Å²	146	56.6 Å²	56.6	64%	0.635	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	135.1	177	-63.1	-176	179.8	-175.9	0	110.6	M81 E82 N117	M81-K93 CarbonylContact O-C 3.54Å; M81-K93 WeakPolarHBondContact O-CA 2.84Å; E82-K93 HydrophobicContact CG-CG 4.49Å; K93-N117 PolarHBondContact O-ND2 3.42Å
94	F	97	Very high	94.3	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	161.5	179.7	-49.4	-72.2	0	0	0	110	M81 Y89 E92 F113 N117 P119	M81-F94 HydrophobicContact CB-CB 4.49Å; M81-F94 PolarHBondContact N-O 2.98Å; M81-F94 PolarHBondContact O-N 3.04Å; M81-F94 HydrophobicContact SD-CD2 4.2Å; Y89-F94 HydrophobicContact CD1-CE2 4.4Å; Y89-F94 AromaticContact CD1-CZ 3.88Å; Y89-F94 HydrophobicContact CD1-CZ 3.88Å; Y89-F94 HydrophobicContact CG-CZ 4.42Å; E92-F94 HydrophobicContact CB-CE1 4.17Å; E92-F94 HydrophobicContact CB-CE2 3.78Å; E92-F94 HydrophobicContact CB-CZ 3.45Å; E92-F94 VanDerWaalsContact CB-CZ 3.45Å; E92-F94 HydrophobicContact CG-CZ 4.37Å; E92-F94 WeakPolarHBondContact OE2-CZ 3.36Å; F94-F113 HydrophobicContact CB-CD1 4Å; F94-F113 HydrophobicContact CB-CE1 3.98Å; F94-F113 HydrophobicContact CG-CE1 4.37Å; F94-N117 HydrophobicContact CD1-CB 4.33Å; F94-N117 WeakPolarHBondContact CD1-ND2 3.38Å; F94-N117 WeakPolarHBondContact CE1-ND2 3.42Å; F94-P119 HydrophobicContact CD1-CB 4.13Å; F94-P119 HydrophobicContact CD1-CG 4.13Å; F94-P119 HydrophobicContact CE1-CB 3.64Å; F94-P119 HydrophobicContact CE1-CG 4.16Å; F94-P119 HydrophobicContact CZ-CB 3.88Å
95	Q	96.9	Very high	94.3	Very high	69 Å²	69	56.2 Å²	56.2	32%	0.322	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.8	173	-57.4	-169.2	-62.6	0	0	109.8	I78 D80 F113 T114	I78-Q95 HydrophobicContact CG2-CB 4.38Å; D80-Q95 WeakPolarHBondContact OD1-CG 2.85Å; D80-Q95 PolarHBondContact OD1-NE2 3.22Å; Q95-F113 CarbonylContact O-C 3.49Å; Q95-F113 VanDerWaalsContact O-CA 3.31Å; Q95-F113 WeakPolarHBondContact O-CA 3.17Å; Q95-T114 HydrophobicContact CB-CG2 3.75Å; Q95-T114 PolarHBondContact O-N 3.47Å
96	L	97.1	Very high	94.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.7	172	-68.3	177.6	0	0	0	109.8	M63 I78 V79 M81 F98 F113 I130 I152	M63-L96 HydrophobicContact CE-CD1 3.88Å; I78-L96 CarbonylContact C-O 3.48Å; I78-L96 VanDerWaalsContact CA-O 3.31Å; I78-L96 WeakPolarHBondContact CA-O 3.36Å; V79-L96 HydrophobicContact CB-CB 4.3Å; V79-L96 PolarHBondContact N-O 3.41Å; V79-L96 PolarHBondContact O-N 3.18Å; M81-L96 HydrophobicContact CE-CD1 3.45Å; M81-L96 VanDerWaalsContact CE-CD1 3.45Å; M81-L96 HydrophobicContact CE-CD2 4.35Å; M81-L96 HydrophobicContact CE-CG 3.92Å; L96-F98 HydrophobicContact CB-CD2 4.3Å; L96-F98 HydrophobicContact CB-CE2 3.78Å; L96-F98 HydrophobicContact CD1-CE2 4.05Å; L96-F98 HydrophobicContact CD1-CZ 4.34Å; L96-F113 HydrophobicContact CD2-CD1 3.54Å; L96-F113 HydrophobicContact CD2-CD2 4.22Å; L96-F113 HydrophobicContact CD2-CE1 3.49Å; L96-F113 VanDerWaalsContact CD2-CE1 3.49Å; L96-F113 HydrophobicContact CD2-CE2 4.17Å; L96-F113 HydrophobicContact CD2-CG 3.92Å; L96-F113 HydrophobicContact CD2-CZ 3.82Å; L96-F113 HydrophobicContact CG-CD1 4.42Å; L96-F113 HydrophobicContact CG-CE1 4.27Å; L96-I130 HydrophobicContact CD2-CD1 3.86Å; L96-I152 HydrophobicContact CD1-CD1 3.75Å; L96-I152 HydrophobicContact CD1-CG2 4.41Å; L96-I152 HydrophobicContact CD2-CD1 4.16Å; L96-I152 HydrophobicContact CD2-CG2 4.48Å
97	L	95.6	Very high	94.1	Very high	21 Å²	21	56.2 Å²	56.2	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.7	172.4	173.2	58.6	0	0	0	109.8	I78 K99 V111 M112 T114	I78-L97 HydrophobicContact CD1-CB 3.96Å; I78-L97 HydrophobicContact CD1-CD1 3.63Å; I78-L97 HydrophobicContact CD1-CG 4.31Å; L97-K99 HydrophobicContact CD1-CG 4.15Å; L97-K99 HydrophobicContact CD2-CD 4.5Å; L97-K99 VanDerWaalsContact CD2-CE 3.5Å; L97-K99 HydrophobicContact CG-CG 4.13Å; L97-V111 WeakPolarHBondContact O-CA 3.42Å; L97-M112 HydrophobicContact CB-CG 4.15Å; L97-M112 HydrophobicContact CD2-CG 4.41Å; L97-M112 HydrophobicContact CD2-SD 4.42Å; L97-M112 PolarHBondContact N-O 2.9Å; L97-M112 PolarHBondContact O-N 2.9Å; L97-T114 HydrophobicContact CB-CG2 3.88Å
98	F	95.1	Very high	94	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.4	170.6	-70.6	-101.2	0	0	0	109.4	Q76 W77 V79 L96 F100 P109 Q110 V111 V145 V148	Q76-F98 CarbonylContact C-O 3.57Å; Q76-F98 VanDerWaalsContact CA-O 3.25Å; Q76-F98 WeakPolarHBondContact CA-O 3.33Å; W77-F98 HydrophobicContact CB-CB 4.28Å; W77-F98 PolarHBondContact N-O 3.31Å; W77-F98 PolarHBondContact O-N 2.85Å; V79-F98 HydrophobicContact CB-CE2 4.16Å; V79-F98 HydrophobicContact CG2-CD2 3.88Å; V79-F98 HydrophobicContact CG2-CE2 3.76Å; L96-F98 HydrophobicContact CB-CD2 4.3Å; L96-F98 HydrophobicContact CB-CE2 3.78Å; L96-F98 HydrophobicContact CD1-CE2 4.05Å; L96-F98 HydrophobicContact CD1-CZ 4.34Å; F98-F100 HydrophobicContact CB-CE2 4.04Å; F98-F100 HydrophobicContact CB-CZ 3.91Å; F98-P109 HydrophobicContact CD1-CB 4.27Å; F98-P109 HydrophobicContact CD1-CG 4.23Å; F98-Q110 CarbonylContact C-O 3.36Å; F98-Q110 WeakPolarHBondContact CA-O 3.44Å; F98-V111 HydrophobicContact CD1-CB 4.46Å; F98-V111 HydrophobicContact CD1-CG1 4.21Å; F98-V111 HydrophobicContact CD1-CG2 3.45Å; F98-V111 VanDerWaalsContact CD1-CG2 3.45Å; F98-V111 HydrophobicContact CD2-CG1 4.43Å; F98-V111 HydrophobicContact CE1-CB 4.35Å; F98-V111 HydrophobicContact CE1-CG1 3.85Å; F98-V111 HydrophobicContact CE1-CG2 3.48Å; F98-V111 VanDerWaalsContact CE1-CG2 3.48Å; F98-V111 HydrophobicContact CE2-CG1 4.1Å; F98-V111 HydrophobicContact CG-CG1 4.47Å; F98-V111 HydrophobicContact CG-CG2 4.23Å; F98-V111 HydrophobicContact CZ-CG1 3.79Å; F98-V111 HydrophobicContact CZ-CG2 4.29Å; F98-V145 HydrophobicContact CD1-CG1 3.94Å; F98-V145 HydrophobicContact CD1-CG2 4.25Å; F98-V145 HydrophobicContact CE1-CB 4.49Å; F98-V145 HydrophobicContact CE1-CG1 3.68Å; F98-V145 HydrophobicContact CE1-CG2 4.49Å; F98-V145 HydrophobicContact CE2-CG1 4.43Å; F98-V145 HydrophobicContact CG-CG1 4.44Å; F98-V145 HydrophobicContact CZ-CG1 3.96Å; F98-V148 HydrophobicContact CE1-CB 4.17Å; F98-V148 HydrophobicContact CE1-CG1 3.79Å; F98-V148 HydrophobicContact CZ-CG1 4.15Å
99	K	93.3	Very high	93.9	Very high	67 Å²	67	51.9 Å²	51.9	29%	0.291	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123	170.8	-61.4	-179.6	172	163.8	0	110	T75 Q76 L97 P109 Q110	T75-K99 WeakPolarHBondContact O-CA 3.33Å; Q76-K99 HydrophobicContact CG-CG 4.06Å; L97-K99 HydrophobicContact CD1-CG 4.15Å; L97-K99 HydrophobicContact CD2-CD 4.5Å; L97-K99 VanDerWaalsContact CD2-CE 3.5Å; L97-K99 HydrophobicContact CG-CG 4.13Å; K99-P109 WeakPolarHBondContact O-CA 3.07Å; K99-Q110 HydrophobicContact CB-CB 4.2Å; K99-Q110 PolarHBondContact N-O 3.03Å; K99-Q110 PolarHBondContact O-N 3.31Å
100	F	92.4	Very high	93.8	Very high	14 Å²	14	53 Å²	53	6%	0.061	27%	0.269	C	S	.	.			trans	-95.9	127.8	-179.3	-54.6	-80.3	0	0	0	110.2	F44 L48 T75 W77 F98 Y104 P109 V145	F44-F100 HydrophobicContact CE1-CB 4.27Å; F44-F100 HydrophobicContact CZ-CB 3.91Å; L48-F100 HydrophobicContact CD1-CB 4.2Å; L48-F100 HydrophobicContact CD1-CD2 4.34Å; L48-F100 HydrophobicContact CD1-CG 4.19Å; L48-F100 HydrophobicContact CD2-CB 4.42Å; L48-F100 HydrophobicContact CD2-CD1 3.55Å; L48-F100 HydrophobicContact CD2-CD2 3.92Å; L48-F100 HydrophobicContact CD2-CE1 3.66Å; L48-F100 HydrophobicContact CD2-CE2 4.06Å; L48-F100 HydrophobicContact CD2-CG 3.68Å; L48-F100 HydrophobicContact CD2-CZ 3.93Å; T75-F100 WeakPolarHBondContact O-CD2 3.44Å; T75-F100 PolarHBondContact O-N 3.38Å; W77-F100 HydrophobicContact CB-CE2 4.4Å; W77-F100 AromaticContact CD2-CE2 3.47Å; W77-F100 HydrophobicContact CD2-CE2 3.47Å; W77-F100 VanDerWaalsContact CD2-CE2 3.47Å; W77-F100 AromaticContact CD2-CZ 3.87Å; W77-F100 HydrophobicContact CD2-CZ 3.87Å; W77-F100 AromaticContact CE2-CE2 3.67Å; W77-F100 AromaticContact CE3-CE2 3.81Å; W77-F100 HydrophobicContact CE3-CE2 3.81Å; W77-F100 AromaticContact CE3-CZ 3.68Å; W77-F100 HydrophobicContact CE3-CZ 3.68Å; W77-F100 AromaticContact CG-CE2 3.76Å; W77-F100 HydrophobicContact CG-CE2 3.76Å; W77-F100 HydrophobicContact CG-CZ 4.48Å; W77-F100 HydrophobicContact CH2-CE2 4.45Å; W77-F100 HydrophobicContact CH2-CZ 4.29Å; W77-F100 HydrophobicContact CZ2-CE2 4.18Å; W77-F100 HydrophobicContact CZ2-CZ 4.46Å; W77-F100 HydrophobicContact CZ3-CE2 4.29Å; W77-F100 AromaticContact CZ3-CZ 3.91Å; W77-F100 HydrophobicContact CZ3-CZ 3.91Å; W77-F100 AromaticContact NE1-CE2 3.98Å; F98-F100 HydrophobicContact CB-CE2 4.04Å; F98-F100 HydrophobicContact CB-CZ 3.91Å; F100-Y104 HydrophobicContact CB-CG 4.5Å; F100-Y104 HydrophobicContact CD1-CD1 4.04Å; F100-Y104 AromaticContact CD1-CD2 3.76Å; F100-Y104 HydrophobicContact CD1-CD2 3.76Å; F100-Y104 HydrophobicContact CD1-CE1 4.19Å; F100-Y104 AromaticContact CD1-CE2 3.94Å; F100-Y104 HydrophobicContact CD1-CE2 3.94Å; F100-Y104 AromaticContact CD1-CG 3.82Å; F100-Y104 HydrophobicContact CD1-CG 3.82Å; F100-Y104 HydrophobicContact CE1-CD2 4.38Å; F100-Y104 HydrophobicContact CE1-CE1 4.36Å; F100-Y104 HydrophobicContact CE1-CE2 4.09Å; F100-P109 HydrophobicContact CD1-CB 3.83Å; F100-P109 HydrophobicContact CE1-CB 3.8Å; F100-P109 HydrophobicContact CE1-CG 4.41Å; F100-V145 HydrophobicContact CE1-CG2 3.53Å; F100-V145 HydrophobicContact CZ-CG2 3.55Å
101	S	91.1	Very high	93.8	Very high	42 Å²	42	47.6 Å²	47.6	29%	0.294	24%	0.244	S	C	.	.			trans	-81.6	156.3	170.6	77.9	0	0	0	0	109.6	F44 R103 Y104	F44-S101 WeakPolarHBondContact CE2-O 3.49Å; F44-S101 VanDerWaalsContact CZ-C 3.5Å; F44-S101 WeakPolarHBondContact CZ-O 3.3Å; S101-R103 PolarHBondContact O-N 3.22Å; S101-R103 PolarHBondContact OG-N 3.06Å; S101-Y104 VanDerWaalsContact O-CB 3.32Å; S101-Y104 WeakPolarHBondContact O-CB 3.27Å; S101-Y104 PolarHBondContact O-N 3.5Å
102	S	88.2	Confident	93.9	Very high	109 Å²	109	46.6 Å²	46.6	76%	0.762	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-11.1	177.4	55.8	0	0	0	0	115.5	F44	F44-S102 WeakPolarHBondContact CD2-O 3.25Å; F44-S102 WeakPolarHBondContact CE2-O 3.36Å
103	R	89.9	Confident	94	Very high	160 Å²	160	43.8 Å²	43.8	60%	0.604	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-1.7	177.1	-61.6	-164.8	-59.7	-145.5	4.6	114	S101 F106 D107	S101-R103 PolarHBondContact O-N 3.22Å; S101-R103 PolarHBondContact OG-N 3.06Å; R103-F106 WeakPolarHBondContact O-CA 3.39Å; R103-F106 VanDerWaalsContact O-CB 3.31Å; R103-F106 WeakPolarHBondContact O-CB 3.47Å; R103-F106 PolarHBondContact O-N 3.47Å; R103-D107 HydrophobicContact CB-CB 4.22Å; R103-D107 IonicContact CZ-OD1 2.77Å; R103-D107 IonicContact CZ-OD2 3.99Å; R103-D107 IonicContact NE-OD1 2.61Å; R103-D107 IonicContact NE-OD2 2.83Å; R103-D107 PolarHBondContact NE-OD2 3.36Å; R103-D107 IonicContact NH2-OD1 2.76Å; R103-D107 IonicContact NH2-OD2 3.83Å; R103-D107 PolarHBondContact NH2-OD2 2.99Å; R103-D107 PolarHBondContact O-N 2.88Å
104	Y	90.8	Very high	93.9	Very high	10 Å²	10	38.9 Å²	38.9	4%	0.039	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	134.5	172.2	-175.6	-93.1	0	0	0	110.9	R47 L48 E51 F100 S101 D107 P109 W139	R47-Y104 HydrophobicContact CG-CD1 4.38Å; R47-Y104 HydrophobicContact CG-CE1 3.83Å; L48-Y104 HydrophobicContact CD2-CD1 3.65Å; L48-Y104 HydrophobicContact CD2-CE1 3.55Å; L48-Y104 HydrophobicContact CG-CD1 4.1Å; L48-Y104 HydrophobicContact CG-CE1 4.3Å; E51-Y104 PolarHBondContact OE1-OH 3.44Å; E51-Y104 PolarHBondContact OE2-OH 2.82Å; F100-Y104 HydrophobicContact CB-CG 4.5Å; F100-Y104 HydrophobicContact CD1-CD1 4.04Å; F100-Y104 AromaticContact CD1-CD2 3.76Å; F100-Y104 HydrophobicContact CD1-CD2 3.76Å; F100-Y104 HydrophobicContact CD1-CE1 4.19Å; F100-Y104 AromaticContact CD1-CE2 3.94Å; F100-Y104 HydrophobicContact CD1-CE2 3.94Å; F100-Y104 AromaticContact CD1-CG 3.82Å; F100-Y104 HydrophobicContact CD1-CG 3.82Å; F100-Y104 HydrophobicContact CE1-CD2 4.38Å; F100-Y104 HydrophobicContact CE1-CE1 4.36Å; F100-Y104 HydrophobicContact CE1-CE2 4.09Å; S101-Y104 VanDerWaalsContact O-CB 3.32Å; S101-Y104 WeakPolarHBondContact O-CB 3.27Å; S101-Y104 PolarHBondContact O-N 3.5Å; Y104-D107 WeakPolarHBondContact CD2-O 3.36Å; Y104-P109 HydrophobicContact CE2-CG 4.28Å; Y104-W139 HydrophobicContact CD2-CZ2 4.21Å; Y104-W139 AromaticContact CE2-CH2 3.7Å; Y104-W139 HydrophobicContact CE2-CH2 3.7Å; Y104-W139 AromaticContact CE2-CZ2 3.55Å; Y104-W139 HydrophobicContact CE2-CZ2 3.55Å
105	P	92.9	Very high	93.6	Very high	18 Å²	18	40.5 Å²	40.5	12%	0.117	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.4	7.9	9.5	38.1	-37.2	0	0	0	115.3	R47 D107 W139 P141	R47-P105 HydrophobicContact CG-CB 4.38Å; R47-P105 HydrophobicContact CG-CG 4.13Å; P105-D107 VanDerWaalsContact C-N 3.32Å; P105-W139 HydrophobicContact CB-CZ2 4.45Å; P105-W139 PolarHBondContact O-NE1 2.81Å; P105-P141 HydrophobicContact CB-CB 4.31Å; P105-P141 HydrophobicContact CG-CB 4.21Å; P105-P141 WeakPolarHBondContact O-CA 3.48Å
106	F	91.8	Very high	93.3	Very high	147 Å²	147	47 Å²	47	65%	0.645	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-33.4	176.9	-58.9	-78.5	0	0	0	112.5	R103 P141	R103-F106 WeakPolarHBondContact O-CA 3.39Å; R103-F106 VanDerWaalsContact O-CB 3.31Å; R103-F106 WeakPolarHBondContact O-CB 3.47Å; R103-F106 PolarHBondContact O-N 3.47Å; F106-P141 HydrophobicContact CD1-CG 3.93Å; F106-P141 HydrophobicContact CE1-CG 4.46Å
107	D	91.4	Very high	93.2	Very high	44 Å²	44	50.1 Å²	50.1	24%	0.235	26%	0.261	C	S	.	.	S	Bend	trans	-98.9	145.1	163.4	-70.2	-7.7	0	0	0	110	R103 Y104 P105	R103-D107 HydrophobicContact CB-CB 4.22Å; R103-D107 IonicContact CZ-OD1 2.77Å; R103-D107 IonicContact CZ-OD2 3.99Å; R103-D107 IonicContact NE-OD1 2.61Å; R103-D107 IonicContact NE-OD2 2.83Å; R103-D107 PolarHBondContact NE-OD2 3.36Å; R103-D107 IonicContact NH2-OD1 2.76Å; R103-D107 IonicContact NH2-OD2 3.83Å; R103-D107 PolarHBondContact NH2-OD2 2.99Å; R103-D107 PolarHBondContact O-N 2.88Å; Y104-D107 WeakPolarHBondContact CD2-O 3.36Å; P105-D107 VanDerWaalsContact C-N 3.32Å
108	S	93.9	Very high	93.3	Very high	9 Å²	9	50.5 Å²	50.5	6%	0.063	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-57.5	158.9	171.1	57.5	0	0	0	0	112.3	L135 W139 K180	S108-L135 WeakPolarHBondContact CB-O 3.42Å; S108-L135 PolarHBondContact OG-O 3.48Å; S108-W139 VanDerWaalsContact CA-CD2 3.49Å; S108-W139 VanDerWaalsContact CB-CD2 3.41Å; S108-W139 VanDerWaalsContact CB-CG 3.43Å; S108-K180 VanDerWaalsContact C-NZ 3.28Å; S108-K180 WeakPolarHBondContact O-CE 3.48Å; S108-K180 PolarHBondContact O-NZ 3.44Å; S108-K180 WeakPolarHBondContact OG-CE 3.45Å; S108-K180 PolarHBondContact OG-NZ 3.21Å
109	P	94.9	Very high	93.4	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-69.9	151.4	162.9	28.8	-26.5	0	0	0	109.1	F98 K99 F100 Y104 V111 W139	F98-P109 HydrophobicContact CD1-CB 4.27Å; F98-P109 HydrophobicContact CD1-CG 4.23Å; K99-P109 WeakPolarHBondContact O-CA 3.07Å; F100-P109 HydrophobicContact CD1-CB 3.83Å; F100-P109 HydrophobicContact CE1-CB 3.8Å; F100-P109 HydrophobicContact CE1-CG 4.41Å; Y104-P109 HydrophobicContact CE2-CG 4.28Å; P109-V111 HydrophobicContact CB-CG2 4.05Å; P109-V111 HydrophobicContact CG-CG2 3.84Å; P109-W139 HydrophobicContact CG-CH2 4.43Å; P109-W139 HydrophobicContact CG-CZ3 4.47Å
110	Q	94.3	Very high	93.5	Very high	24 Å²	24	50 Å²	50	11%	0.112	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	123.9	161.9	176.1	-170	-7.5	0	0	107.3	F98 K99 P179 K180	F98-Q110 CarbonylContact C-O 3.36Å; F98-Q110 WeakPolarHBondContact CA-O 3.44Å; K99-Q110 HydrophobicContact CB-CB 4.2Å; K99-Q110 PolarHBondContact N-O 3.03Å; K99-Q110 PolarHBondContact O-N 3.31Å; Q110-P179 HydrophobicContact CG-CG 3.78Å; Q110-K180 HydrophobicContact CB-CD 4.49Å
111	V	96.5	Very high	93.8	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.03	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.8	-178.8	-168.8	0	0	0	0	109.7	L97 F98 P109 I130 L135 V148 I152	L97-V111 WeakPolarHBondContact O-CA 3.42Å; F98-V111 HydrophobicContact CD1-CB 4.46Å; F98-V111 HydrophobicContact CD1-CG1 4.21Å; F98-V111 HydrophobicContact CD1-CG2 3.45Å; F98-V111 VanDerWaalsContact CD1-CG2 3.45Å; F98-V111 HydrophobicContact CD2-CG1 4.43Å; F98-V111 HydrophobicContact CE1-CB 4.35Å; F98-V111 HydrophobicContact CE1-CG1 3.85Å; F98-V111 HydrophobicContact CE1-CG2 3.48Å; F98-V111 VanDerWaalsContact CE1-CG2 3.48Å; F98-V111 HydrophobicContact CE2-CG1 4.1Å; F98-V111 HydrophobicContact CG-CG1 4.47Å; F98-V111 HydrophobicContact CG-CG2 4.23Å; F98-V111 HydrophobicContact CZ-CG1 3.79Å; F98-V111 HydrophobicContact CZ-CG2 4.29Å; P109-V111 HydrophobicContact CB-CG2 4.05Å; P109-V111 HydrophobicContact CG-CG2 3.84Å; V111-I130 HydrophobicContact CG1-CD1 4.19Å; V111-L135 HydrophobicContact CB-CD1 4.04Å; V111-L135 HydrophobicContact CB-CD2 4.03Å; V111-L135 HydrophobicContact CG2-CD2 3.68Å; V111-V148 HydrophobicContact CG2-CG1 4.15Å; V111-I152 HydrophobicContact CG1-CD1 3.91Å
112	M	96.3	Very high	94	Very high	28 Å²	28	49.1 Å²	49.1	14%	0.138	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151.3	177.8	60.5	-172.7	-65	0	0	110.5	L97 N127 G128	L97-M112 HydrophobicContact CB-CG 4.15Å; L97-M112 HydrophobicContact CD2-CG 4.41Å; L97-M112 HydrophobicContact CD2-SD 4.42Å; L97-M112 PolarHBondContact N-O 2.9Å; L97-M112 PolarHBondContact O-N 2.9Å; M112-N127 WeakPolarHBondContact CE-O 3.43Å; M112-G128 CarbonylContact C-O 3.59Å; M112-G128 VanDerWaalsContact CA-O 3.27Å; M112-G128 WeakPolarHBondContact CA-O 3.47Å; M112-G128 VanDerWaalsContact CB-O 3.31Å; M112-G128 WeakPolarHBondContact CB-O 3.25Å
113	F	97.5	Very high	94.3	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	143.9	163.7	-71.2	-81.5	0	0	0	110	M81 F94 Q95 L96 I118 P119 V124 G128 I130 I152 L156	M81-F113 HydrophobicContact CE-CE1 4.15Å; M81-F113 HydrophobicContact CE-CZ 4.35Å; M81-F113 HydrophobicContact SD-CE1 4.34Å; F94-F113 HydrophobicContact CB-CD1 4Å; F94-F113 HydrophobicContact CB-CE1 3.98Å; F94-F113 HydrophobicContact CG-CE1 4.37Å; Q95-F113 CarbonylContact O-C 3.49Å; Q95-F113 VanDerWaalsContact O-CA 3.31Å; Q95-F113 WeakPolarHBondContact O-CA 3.17Å; L96-F113 HydrophobicContact CD2-CD1 3.54Å; L96-F113 HydrophobicContact CD2-CD2 4.22Å; L96-F113 HydrophobicContact CD2-CE1 3.49Å; L96-F113 VanDerWaalsContact CD2-CE1 3.49Å; L96-F113 HydrophobicContact CD2-CE2 4.17Å; L96-F113 HydrophobicContact CD2-CG 3.92Å; L96-F113 HydrophobicContact CD2-CZ 3.82Å; L96-F113 HydrophobicContact CG-CD1 4.42Å; L96-F113 HydrophobicContact CG-CE1 4.27Å; F113-I118 HydrophobicContact CB-CD1 3.65Å; F113-I118 HydrophobicContact CB-CG2 4.14Å; F113-P119 HydrophobicContact CD1-CG 3.83Å; F113-P119 HydrophobicContact CD2-CG 3.9Å; F113-P119 HydrophobicContact CE1-CG 3.61Å; F113-P119 HydrophobicContact CE2-CG 3.7Å; F113-P119 HydrophobicContact CG-CG 3.97Å; F113-P119 HydrophobicContact CZ-CG 3.55Å; F113-V124 HydrophobicContact CD2-CB 4.46Å; F113-V124 HydrophobicContact CD2-CG1 3.56Å; F113-V124 HydrophobicContact CD2-CG2 3.98Å; F113-V124 HydrophobicContact CE2-CB 4.47Å; F113-V124 HydrophobicContact CE2-CG1 4.02Å; F113-V124 HydrophobicContact CE2-CG2 3.55Å; F113-V124 HydrophobicContact CG-CG1 4.44Å; F113-G128 PolarHBondContact N-O 2.96Å; F113-G128 WeakPolarHBondContact O-CA 3.48Å; F113-I130 HydrophobicContact CD2-CD1 3.61Å; F113-I130 HydrophobicContact CD2-CG1 3.58Å; F113-I130 HydrophobicContact CE2-CD1 3.56Å; F113-I130 HydrophobicContact CE2-CG1 3.72Å; F113-I130 HydrophobicContact CG-CD1 4.46Å; F113-I130 HydrophobicContact CZ-CD1 4.39Å; F113-I152 HydrophobicContact CE2-CG2 4.24Å; F113-I152 HydrophobicContact CZ-CG2 3.65Å; F113-L156 HydrophobicContact CZ-CD1 4.08Å
114	T	94.9	Very high	94.6	Very high	44 Å²	44	39.7 Å²	39.7	27%	0.27	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	-176.2	178.7	-162.2	0	0	0	0	110	I78 Q95 L97	I78-T114 HydrophobicContact CD1-CG2 3.9Å; Q95-T114 HydrophobicContact CB-CG2 3.75Å; Q95-T114 PolarHBondContact O-N 3.47Å; L97-T114 HydrophobicContact CB-CG2 3.88Å
115	G	91.3	Very high	94.7	Very high	38 Å²	38	39.5 Å²	39.5	39%	0.392	21%	0.209	S	C	.	.	S	Bend	trans	78.4	-162.8	-173.9	0	0	0	0	0	112.4
116	E	90.9	Very high	94.8	Very high	205 Å²	205	41.2 Å²	41.2	96%	0.958	22%	0.222	S	C	*	.	S	Bend	trans	-82.3	-26.1	-174.2	-62.1	-178.7	174.3	0	0	112.9
117	N	95	Very high	94.7	Very high	65 Å²	65	36.3 Å²	36.3	35%	0.348	20%	0.203	S	C	.	.			trans	-111.2	112.4	-175.6	-169.8	20.3	0	0	0	111.5	K93 F94	K93-N117 PolarHBondContact O-ND2 3.42Å; F94-N117 HydrophobicContact CD1-CB 4.33Å; F94-N117 WeakPolarHBondContact CD1-ND2 3.38Å; F94-N117 WeakPolarHBondContact CE1-ND2 3.42Å
118	I	97	Very high	94.9	Very high	30 Å²	30	34.2 Å²	34.2	15%	0.154	19%	0.191	C	C	.	.			trans	-112.1	117.9	176.9	-53.5	-61.1	0	0	0	108.8	F113 V120 V124 R164	F113-I118 HydrophobicContact CB-CD1 3.65Å; F113-I118 HydrophobicContact CB-CG2 4.14Å; I118-V120 PolarHBondContact O-N 3.46Å; I118-V124 HydrophobicContact CG2-CG1 3.88Å; I118-R164 PolarHBondContact O-NH2 3.27Å
119	P	96.3	Very high	94.9	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.189	C	C	.	.			trans	-61.3	136.9	-172.9	23.1	-30.3	0	0	0	110.9	Y89 F94 F113 H121 V124 L156 R164	Y89-P119 HydrophobicContact CD1-CB 4.19Å; Y89-P119 HydrophobicContact CE1-CB 3.88Å; F94-P119 HydrophobicContact CD1-CB 4.13Å; F94-P119 HydrophobicContact CD1-CG 4.13Å; F94-P119 HydrophobicContact CE1-CB 3.64Å; F94-P119 HydrophobicContact CE1-CG 4.16Å; F94-P119 HydrophobicContact CZ-CB 3.88Å; F113-P119 HydrophobicContact CD1-CG 3.83Å; F113-P119 HydrophobicContact CD2-CG 3.9Å; F113-P119 HydrophobicContact CE1-CG 3.61Å; F113-P119 HydrophobicContact CE2-CG 3.7Å; F113-P119 HydrophobicContact CG-CG 3.97Å; F113-P119 HydrophobicContact CZ-CG 3.55Å; P119-H121 PolarHBondContact O-N 2.89Å; P119-V124 HydrophobicContact CG-CG1 4.23Å; P119-V124 HydrophobicContact CG-CG2 4.43Å; P119-L156 HydrophobicContact CB-CD2 4.11Å; P119-L156 HydrophobicContact CG-CD2 4.24Å; P119-R164 PolarHBondContact O-NH1 2.95Å
120	V	96.8	Very high	95	Very high	54 Å²	54	34.2 Å²	34.2	33%	0.327	19%	0.19	S	C	.	.			trans	-79.6	103.2	171.8	-178.2	0	0	0	0	107.7	Y89 I118 K162 R164	Y89-V120 PolarHBondContact OH-O 3.09Å; I118-V120 PolarHBondContact O-N 3.46Å; V120-K162 HydrophobicContact CB-CB 4.26Å; V120-K162 HydrophobicContact CG1-CB 4.19Å; V120-R164 HydrophobicContact CG1-CG 4.14Å
121	H	97.1	Very high	94.9	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.023	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-146.6	145.3	-174.3	-174.4	-89.6	0	0	0	111.3	Y89 P119 H123 V124 M155 L156 C159 R163 P165	Y89-H121 WeakPolarHBondContact OH-CB 3.44Å; Y89-H121 PolarHBondContact OH-CD2 2.58Å; Y89-H121 VanDerWaalsContact OH-CD2 3.26Å; P119-H121 PolarHBondContact O-N 2.89Å; H121-H123 AromaticContact CE1-CD2 3.61Å; H121-H123 PolarHBondContact ND1-N 2.85Å; H121-H123 PolarHBondContact O-N 2.86Å; H121-V124 HydrophobicContact CB-CB 3.94Å; H121-V124 HydrophobicContact CB-CG2 3.78Å; H121-V124 PolarHBondContact O-N 3.5Å; H121-M155 WeakPolarHBondContact CE1-CG 3.31Å; H121-M155 PolarHBondContact NE2-O 3.05Å; H121-L156 HydrophobicContact CB-CD2 4.07Å; H121-C159 PolarHBondContact CD2-SG 3.44Å; H121-R163 CarbonylContact C-O 3.56Å; H121-R163 WeakPolarHBondContact CA-O 3.39Å; H121-R163 PolarHBondContact N-O 2.93Å; H121-P165 WeakPolarHBondContact O-CD 3.47Å
122	P	95.3	Very high	94.7	Very high	33 Å²	33	34.8 Å²	34.8	21%	0.214	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-23.2	-178.9	-28	32.5	0	0	0	115.5	R163 P165	P122-R163 WeakPolarHBondContact CD-O 3.19Å; P122-R163 HydrophobicContact CG-CG 3.76Å; P122-P165 VanDerWaalsContact O-CG 3.26Å; P122-P165 WeakPolarHBondContact O-CG 3.44Å
123	H	94.9	Very high	94.5	Very high	71 Å²	71	35.1 Å²	35.1	33%	0.329	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	11	178	-60.7	-53.7	0	0	0	113.6	H121 C131 M155	H121-H123 AromaticContact CE1-CD2 3.61Å; H121-H123 PolarHBondContact ND1-N 2.85Å; H121-H123 PolarHBondContact O-N 2.86Å; H123-C131 HydrophobicContact CB-CB 4.37Å; H123-C131 PolarHBondContact O-N 2.6Å; H123-M155 HydrophobicContact CB-CG 4.47Å; H123-M155 HydrophobicContact CB-SD 3.59Å; H123-M155 VanDerWaalsContact CB-SD 3.59Å
124	V	96.3	Very high	94.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-125.8	114.6	179.7	-176.1	0	0	0	0	111.1	F113 I118 P119 H121 H129 M155 R164 P165	F113-V124 HydrophobicContact CD2-CB 4.46Å; F113-V124 HydrophobicContact CD2-CG1 3.56Å; F113-V124 HydrophobicContact CD2-CG2 3.98Å; F113-V124 HydrophobicContact CE2-CB 4.47Å; F113-V124 HydrophobicContact CE2-CG1 4.02Å; F113-V124 HydrophobicContact CE2-CG2 3.55Å; F113-V124 HydrophobicContact CG-CG1 4.44Å; I118-V124 HydrophobicContact CG2-CG1 3.88Å; P119-V124 HydrophobicContact CG-CG1 4.23Å; P119-V124 HydrophobicContact CG-CG2 4.43Å; H121-V124 HydrophobicContact CB-CB 3.94Å; H121-V124 HydrophobicContact CB-CG2 3.78Å; H121-V124 PolarHBondContact O-N 3.5Å; V124-H129 WeakPolarHBondContact CA-O 3.38Å; V124-M155 HydrophobicContact CG2-CE 3.8Å; V124-R164 PolarHBondContact O-NH1 2.75Å; V124-P165 WeakPolarHBondContact O-CD 3.39Å
125	Y	94.6	Very high	94.2	Very high	6 Å²	6	35 Å²	35	2%	0.024	20%	0.197	C	C	.	.			trans	-74.2	154.5	175.6	-66.8	-91.7	0	0	0	111	N127 G128 H129 C131 P165 D167 N168 Y171 W184	Y125-N127 VanDerWaalsContact CB-OD1 3.24Å; Y125-N127 WeakPolarHBondContact CB-OD1 3.32Å; Y125-N127 PolarHBondContact O-N 3.09Å; Y125-N127 VanDerWaalsContact O-N 3.14Å; Y125-G128 WeakPolarHBondContact O-CA 3.3Å; Y125-G128 PolarHBondContact O-N 2.9Å; Y125-H129 HydrophobicContact CD2-CB 4.2Å; Y125-H129 PolarHBondContact N-O 2.69Å; Y125-C131 HydrophobicContact CE2-CB 4.23Å; Y125-P165 HydrophobicContact CD1-CB 4.3Å; Y125-P165 HydrophobicContact CD1-CG 3.92Å; Y125-P165 HydrophobicContact CD2-CG 4.14Å; Y125-P165 HydrophobicContact CE1-CB 3.78Å; Y125-P165 HydrophobicContact CE1-CG 3.82Å; Y125-P165 HydrophobicContact CE2-CB 4.48Å; Y125-P165 HydrophobicContact CE2-CG 3.99Å; Y125-P165 HydrophobicContact CG-CG 4.1Å; Y125-D167 WeakPolarHBondContact CE1-OD1 3.26Å; Y125-D167 PolarHBondContact OH-OD1 2.85Å; Y125-D167 PolarHBondContact OH-OD2 2.86Å; Y125-N168 WeakPolarHBondContact CA-OD1 3.46Å; Y125-N168 HydrophobicContact CD1-CB 4.39Å; Y125-Y171 AromaticContact CD1-CD1 3.31Å; Y125-Y171 HydrophobicContact CD1-CD1 3.31Å; Y125-Y171 HydrophobicContact CD1-CD2 4.34Å; Y125-Y171 HydrophobicContact CD1-CE1 4.06Å; Y125-Y171 AromaticContact CD1-CG 3.52Å; Y125-Y171 HydrophobicContact CD1-CG 3.52Å; Y125-Y171 HydrophobicContact CD2-CD1 4.27Å; Y125-Y171 HydrophobicContact CD2-CE1 4.21Å; Y125-Y171 AromaticContact CE1-CD1 3.64Å; Y125-Y171 HydrophobicContact CE1-CD1 3.64Å; Y125-Y171 AromaticContact CE1-CD2 3.79Å; Y125-Y171 HydrophobicContact CE1-CD2 3.79Å; Y125-Y171 HydrophobicContact CE1-CE1 4.4Å; Y125-Y171 AromaticContact CE1-CG 3.31Å; Y125-Y171 HydrophobicContact CE1-CG 3.31Å; Y125-Y171 AromaticContact CG-CD1 3.65Å; Y125-Y171 HydrophobicContact CG-CD1 3.65Å; Y125-Y171 AromaticContact CG-CE1 3.94Å; Y125-Y171 HydrophobicContact CG-CE1 3.94Å; Y125-Y171 HydrophobicContact CG-CG 4.22Å; Y125-Y171 AromaticContact CZ-CD2 3.89Å; Y125-Y171 AromaticContact CZ-CG 3.88Å; Y125-W184 HydrophobicContact CD2-CH2 4.25Å; Y125-W184 AromaticContact CD2-CZ3 3.99Å; Y125-W184 HydrophobicContact CD2-CZ3 3.99Å; Y125-W184 HydrophobicContact CE2-CE3 4.27Å; Y125-W184 HydrophobicContact CE2-CH2 4Å; Y125-W184 AromaticContact CE2-CZ3 3.31Å; Y125-W184 HydrophobicContact CE2-CZ3 3.31Å; Y125-W184 AromaticContact CZ-CZ3 3.82Å
126	S	93.4	Very high	94.2	Very high	55 Å²	55	35.6 Å²	35.6	39%	0.385	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.9	-176.7	62.2	0	0	0	0	114.1	G128 N168	S126-G128 VanDerWaalsContact C-N 3.26Å; S126-N168 PolarHBondContact N-OD1 3.08Å; S126-N168 PolarHBondContact OG-ND2 2.99Å; S126-N168 PolarHBondContact OG-OD1 3.27Å
127	N	91.3	Very high	94.1	Very high	44 Å²	44	32 Å²	32	24%	0.235	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.7	169.9	67.7	-6	0	0	0	113.3	M112 Y125 H129 V172 C175	M112-N127 WeakPolarHBondContact CE-O 3.43Å; Y125-N127 VanDerWaalsContact CB-OD1 3.24Å; Y125-N127 WeakPolarHBondContact CB-OD1 3.32Å; Y125-N127 PolarHBondContact O-N 3.09Å; Y125-N127 VanDerWaalsContact O-N 3.14Å; N127-H129 WeakPolarHBondContact OD1-CB 3.49Å; N127-H129 PolarHBondContact OD1-N 3.11Å; N127-H129 VanDerWaalsContact OD1-N 3.08Å; N127-V172 HydrophobicContact CB-CG1 4.31Å; N127-V172 HydrophobicContact CB-CG2 4.19Å; N127-C175 PolarHBondContact ND2-SG 3.21Å
128	G	94.7	Very high	94.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	86.7	-2	179.2	0	0	0	0	0	114.9	M112 F113 Y125 S126	M112-G128 CarbonylContact C-O 3.59Å; M112-G128 VanDerWaalsContact CA-O 3.27Å; M112-G128 WeakPolarHBondContact CA-O 3.47Å; M112-G128 VanDerWaalsContact CB-O 3.31Å; M112-G128 WeakPolarHBondContact CB-O 3.25Å; F113-G128 PolarHBondContact N-O 2.96Å; F113-G128 WeakPolarHBondContact O-CA 3.48Å; Y125-G128 WeakPolarHBondContact O-CA 3.3Å; Y125-G128 PolarHBondContact O-N 2.9Å; S126-G128 VanDerWaalsContact C-N 3.26Å
129	H	94.8	Very high	94	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.023	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-63.9	140.8	176.2	-67.4	-171.9	0	0	0	111	V124 Y125 N127 Y171 N176 P179 W184	V124-H129 WeakPolarHBondContact CA-O 3.38Å; Y125-H129 HydrophobicContact CD2-CB 4.2Å; Y125-H129 PolarHBondContact N-O 2.69Å; N127-H129 WeakPolarHBondContact OD1-CB 3.49Å; N127-H129 PolarHBondContact OD1-N 3.11Å; N127-H129 VanDerWaalsContact OD1-N 3.08Å; H129-Y171 HydrophobicContact CB-CE1 4.02Å; H129-Y171 AromaticContact CG-CE1 3.97Å; H129-Y171 AromaticContact ND1-CE1 3.29Å; H129-Y171 VanDerWaalsContact ND1-CE1 3.29Å; H129-Y171 WeakPolarHBondContact ND1-CE1 3.31Å; H129-Y171 AromaticContact ND1-CZ 3.53Å; H129-Y171 PolarHBondContact ND1-OH 2.74Å; H129-N176 PolarHBondContact CE1-O 2.77Å; H129-P179 HydrophobicContact CB-CB 4.35Å; H129-W184 HydrophobicContact CB-CH2 4.1Å
130	I	95.6	Very high	94	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-113.2	130.3	-176.7	-55.5	172.2	0	0	0	108.5	L96 V111 F113 L132 L135 I152 M155	L96-I130 HydrophobicContact CD2-CD1 3.86Å; V111-I130 HydrophobicContact CG1-CD1 4.19Å; F113-I130 HydrophobicContact CD2-CD1 3.61Å; F113-I130 HydrophobicContact CD2-CG1 3.58Å; F113-I130 HydrophobicContact CE2-CD1 3.56Å; F113-I130 HydrophobicContact CE2-CG1 3.72Å; F113-I130 HydrophobicContact CG-CD1 4.46Å; F113-I130 HydrophobicContact CZ-CD1 4.39Å; I130-L132 HydrophobicContact CG2-CB 4.34Å; I130-L132 HydrophobicContact CG2-CD1 3.74Å; I130-L132 HydrophobicContact CG2-CG 3.73Å; I130-L135 HydrophobicContact CB-CD1 4.26Å; I130-L135 HydrophobicContact CG2-CD1 4.33Å; I130-I152 HydrophobicContact CD1-CD1 3.93Å; I130-I152 HydrophobicContact CD1-CG1 4.45Å; I130-M155 HydrophobicContact CG2-CE 4.41Å; I130-M155 HydrophobicContact CG2-SD 4.36Å
131	C	92.4	Very high	93.8	Very high	12 Å²	12	35.5 Å²	35.5	8%	0.081	20%	0.198	C	C	.	.			trans	-99.3	94	174.3	-166.9	0	0	0	0	109.4	H123 Y125 W184 Y186	H123-C131 HydrophobicContact CB-CB 4.37Å; H123-C131 PolarHBondContact O-N 2.6Å; Y125-C131 HydrophobicContact CE2-CB 4.23Å; C131-W184 HydrophobicContact CB-CE3 4.48Å; C131-W184 HydrophobicContact CB-CZ3 4.32Å; C131-Y186 VanDerWaalsContact SG-CE1 3.54Å
132	L	93.4	Very high	93.7	Very high	29 Å²	29	39.5 Å²	39.5	15%	0.152	23%	0.232	C	C	.	.			trans	-137.1	132.2	175.2	-76.3	175.9	0	0	0	109.2	I130 I134 L135 I152 M155	I130-L132 HydrophobicContact CG2-CB 4.34Å; I130-L132 HydrophobicContact CG2-CD1 3.74Å; I130-L132 HydrophobicContact CG2-CG 3.73Å; L132-I134 HydrophobicContact CB-CG1 3.93Å; L132-I134 HydrophobicContact CD1-CG1 4.48Å; L132-I134 PolarHBondContact O-N 3.43Å; L132-L135 HydrophobicContact CB-CD1 4.29Å; L132-L135 HydrophobicContact CB-CG 4.31Å; L132-L135 WeakPolarHBondContact O-CB 3.45Å; L132-L135 PolarHBondContact O-N 3.35Å; L132-I152 HydrophobicContact CD1-CG1 3.63Å; L132-M155 HydrophobicContact CD1-SD 4.04Å; L132-M155 HydrophobicContact CD2-CB 4.33Å; L132-M155 HydrophobicContact CD2-CG 4.18Å; L132-M155 HydrophobicContact CD2-SD 3.66Å; L132-M155 HydrophobicContact CG-SD 3.87Å
133	S	91.3	Very high	93.7	Very high	35 Å²	35	40.2 Å²	40.2	25%	0.245	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-60.9	-32.8	-178.1	64.1	0	0	0	0	112.8	L135 T136 E137 D138	S133-L135 PolarHBondContact O-N 2.71Å; S133-L135 VanDerWaalsContact O-N 3.08Å; S133-T136 WeakPolarHBondContact CA-OG1 3.49Å; S133-T136 CarbonylContact O-C 3.43Å; S133-T136 PolarHBondContact O-N 3.25Å; S133-T136 PolarHBondContact O-OG1 2.76Å; S133-T136 VanDerWaalsContact O-OG1 3.09Å; S133-E137 PolarHBondContact O-N 2.75Å; S133-E137 VanDerWaalsContact O-N 3.11Å; S133-D138 WeakPolarHBondContact CB-OD2 3.4Å; S133-D138 PolarHBondContact O-N 3.44Å; S133-D138 PolarHBondContact OG-OD2 2.78Å
134	I	94	Very high	93.7	Very high	28 Å²	28	38.4 Å²	38.4	14%	0.144	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-60.7	-18.1	174.7	60.5	145.6	0	0	0	113.4	L132 W139 L143 V148 S151	L132-I134 HydrophobicContact CB-CG1 3.93Å; L132-I134 HydrophobicContact CD1-CG1 4.48Å; L132-I134 PolarHBondContact O-N 3.43Å; I134-W139 WeakPolarHBondContact O-CB 3.38Å; I134-W139 VanDerWaalsContact O-CE3 3.29Å; I134-L143 HydrophobicContact CB-CD1 4.42Å; I134-V148 HydrophobicContact CD1-CB 4.13Å; I134-V148 HydrophobicContact CD1-CG1 4.09Å; I134-V148 HydrophobicContact CD1-CG2 4.06Å; I134-S151 VanDerWaalsContact CD1-CB 3.42Å
135	L	92.6	Very high	93.6	Very high	13 Å²	13	38.4 Å²	38.4	7%	0.068	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-91.7	-7.3	175.9	-62.1	177.4	0	0	0	112.3	S108 V111 I130 L132 S133 V148	S108-L135 WeakPolarHBondContact CB-O 3.42Å; S108-L135 PolarHBondContact OG-O 3.48Å; V111-L135 HydrophobicContact CB-CD1 4.04Å; V111-L135 HydrophobicContact CB-CD2 4.03Å; V111-L135 HydrophobicContact CG2-CD2 3.68Å; I130-L135 HydrophobicContact CB-CD1 4.26Å; I130-L135 HydrophobicContact CG2-CD1 4.33Å; L132-L135 HydrophobicContact CB-CD1 4.29Å; L132-L135 HydrophobicContact CB-CG 4.31Å; L132-L135 WeakPolarHBondContact O-CB 3.45Å; L132-L135 PolarHBondContact O-N 3.35Å; S133-L135 PolarHBondContact O-N 2.71Å; S133-L135 VanDerWaalsContact O-N 3.08Å; L135-V148 HydrophobicContact CD2-CG1 3.74Å; L135-V148 HydrophobicContact CD2-CG2 4.37Å
136	T	90.3	Very high	93.6	Very high	52 Å²	52	40.7 Å²	40.7	32%	0.319	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-98.3	-171.6	50.8	0	0	0	0	110.7	S133 Y186	S133-T136 WeakPolarHBondContact CA-OG1 3.49Å; S133-T136 CarbonylContact O-C 3.43Å; S133-T136 PolarHBondContact O-N 3.25Å; S133-T136 PolarHBondContact O-OG1 2.76Å; S133-T136 VanDerWaalsContact O-OG1 3.09Å; T136-Y186 PolarHBondContact OG1-OH 2.88Å
137	E	89.6	Confident	93.7	Very high	128 Å²	128	39.5 Å²	39.5	60%	0.598	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-32.3	-169.1	66	-154.8	159.4	0	0	113.8	S133 W139 Y186	S133-E137 PolarHBondContact O-N 2.75Å; S133-E137 VanDerWaalsContact O-N 3.11Å; E137-W139 VanDerWaalsContact C-N 3.28Å; E137-W139 PolarHBondContact O-N 2.83Å; E137-Y186 WeakPolarHBondContact OE1-CE2 3.37Å
138	D	94.1	Very high	94	Very high	96 Å²	96	37.4 Å²	37.4	51%	0.513	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	4.1	178	-65.8	-27.5	0	0	0	112.1	S133 S140	S133-D138 WeakPolarHBondContact CB-OD2 3.4Å; S133-D138 PolarHBondContact O-N 3.44Å; S133-D138 PolarHBondContact OG-OD2 2.78Å; D138-S140 PolarHBondContact O-N 2.85Å
139	W	96	Very high	94	Very high	30 Å²	30	37.4 Å²	37.4	11%	0.114	22%	0.22	C	C	.	.			trans	-66.3	128.1	176	178.4	-99	0	0	0	110.9	Y104 P105 S108 P109 I134 E137 L143 V148	Y104-W139 HydrophobicContact CD2-CZ2 4.21Å; Y104-W139 AromaticContact CE2-CH2 3.7Å; Y104-W139 HydrophobicContact CE2-CH2 3.7Å; Y104-W139 AromaticContact CE2-CZ2 3.55Å; Y104-W139 HydrophobicContact CE2-CZ2 3.55Å; P105-W139 HydrophobicContact CB-CZ2 4.45Å; P105-W139 PolarHBondContact O-NE1 2.81Å; S108-W139 VanDerWaalsContact CA-CD2 3.49Å; S108-W139 VanDerWaalsContact CB-CD2 3.41Å; S108-W139 VanDerWaalsContact CB-CG 3.43Å; P109-W139 HydrophobicContact CG-CH2 4.43Å; P109-W139 HydrophobicContact CG-CZ3 4.47Å; I134-W139 WeakPolarHBondContact O-CB 3.38Å; I134-W139 VanDerWaalsContact O-CE3 3.29Å; E137-W139 VanDerWaalsContact C-N 3.28Å; E137-W139 PolarHBondContact O-N 2.83Å; W139-L143 HydrophobicContact CD2-CD1 4.49Å; W139-L143 HydrophobicContact CE3-CB 4.01Å; W139-L143 HydrophobicContact CE3-CD1 3.87Å; W139-L143 HydrophobicContact CH2-CB 4.06Å; W139-L143 HydrophobicContact CZ3-CB 3.68Å; W139-L143 HydrophobicContact CZ3-CD1 4.32Å; W139-V148 HydrophobicContact CZ3-CG2 3.81Å
140	S	95.1	Very high	94	Very high	52 Å²	52	41.1 Å²	41.1	36%	0.364	24%	0.24	S	C	.	.			trans	-128.1	146.9	170.4	170.9	0	0	0	0	109.9	D138 A142 L143	D138-S140 PolarHBondContact O-N 2.85Å; S140-A142 PolarHBondContact O-N 3.04Å; S140-A142 PolarHBondContact OG-N 3.41Å; S140-L143 WeakPolarHBondContact O-CB 3.36Å; S140-L143 PolarHBondContact O-N 2.72Å
141	P	94.3	Very high	94	Very high	47 Å²	47	42.9 Å²	42.9	31%	0.305	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.2	172.8	-22.1	31.9	0	0	0	114.3	R47 P105 F106 L143	R47-P141 PolarHBondContact NH1-O 2.88Å; R47-P141 PolarHBondContact NH2-O 3.15Å; P105-P141 HydrophobicContact CB-CB 4.31Å; P105-P141 HydrophobicContact CG-CB 4.21Å; P105-P141 WeakPolarHBondContact O-CA 3.48Å; F106-P141 HydrophobicContact CD1-CG 3.93Å; F106-P141 HydrophobicContact CE1-CG 4.46Å; P141-L143 VanDerWaalsContact C-N 3.33Å
142	A	94.3	Very high	94.2	Very high	89 Å²	89	42.3 Å²	42.3	74%	0.736	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-24.2	173.2	0	0	0	0	0	113.1	S140	S140-A142 PolarHBondContact O-N 3.04Å; S140-A142 PolarHBondContact OG-N 3.41Å
143	L	95.6	Very high	94.3	Very high	48 Å²	48	42.4 Å²	42.4	25%	0.251	25%	0.249	S	C	.	.			trans	-72.6	149.1	176.2	-61	178.6	0	0	0	110.9	R47 I134 W139 S140 P141	R47-L143 PolarHBondContact NH2-O 3.09Å; I134-L143 HydrophobicContact CB-CD1 4.42Å; W139-L143 HydrophobicContact CD2-CD1 4.49Å; W139-L143 HydrophobicContact CE3-CB 4.01Å; W139-L143 HydrophobicContact CE3-CD1 3.87Å; W139-L143 HydrophobicContact CH2-CB 4.06Å; W139-L143 HydrophobicContact CZ3-CB 3.68Å; W139-L143 HydrophobicContact CZ3-CD1 4.32Å; S140-L143 WeakPolarHBondContact O-CB 3.36Å; S140-L143 PolarHBondContact O-N 2.72Å; P141-L143 VanDerWaalsContact C-N 3.33Å
144	S	94.7	Very high	94.5	Very high	32 Å²	32	44.3 Å²	44.3	22%	0.224	26%	0.263	C	S	.	.			trans	-117.8	163.3	-179.3	67.2	0	0	0	0	111.9	Q146 S147 V148	S144-Q146 PolarHBondContact O-N 3.3Å; S144-Q146 PolarHBondContact OG-N 3.48Å; S144-S147 PolarHBondContact N-OG 3.47Å; S144-S147 PolarHBondContact O-N 2.83Å; S144-S147 VanDerWaalsContact O-N 3.07Å; S144-S147 PolarHBondContact O-OG 2.86Å; S144-S147 PolarHBondContact OG-N 3.19Å; S144-S147 VanDerWaalsContact OG-N 3.12Å; S144-V148 WeakPolarHBondContact O-CG2 2.9Å; S144-V148 PolarHBondContact O-N 3.05Å; S144-V148 VanDerWaalsContact O-N 3.09Å
145	V	94.3	Very high	94.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-54.8	-37.9	170.3	172.7	0	0	0	0	111.4	E51 L55 W77 F98 F100 S147 V148 C149	E51-V145 VanDerWaalsContact OE2-CB 3.29Å; E51-V145 WeakPolarHBondContact OE2-CB 3.17Å; E51-V145 WeakPolarHBondContact OE2-CG2 3.31Å; E51-V145 PolarHBondContact OE2-N 3.47Å; L55-V145 HydrophobicContact CD1-CB 4.05Å; L55-V145 HydrophobicContact CD1-CG1 3.51Å; W77-V145 HydrophobicContact CE3-CG1 4.45Å; W77-V145 HydrophobicContact CE3-CG2 4.49Å; W77-V145 HydrophobicContact CZ3-CB 4.44Å; W77-V145 HydrophobicContact CZ3-CG1 4.43Å; W77-V145 HydrophobicContact CZ3-CG2 4.07Å; F98-V145 HydrophobicContact CD1-CG1 3.94Å; F98-V145 HydrophobicContact CD1-CG2 4.25Å; F98-V145 HydrophobicContact CE1-CB 4.49Å; F98-V145 HydrophobicContact CE1-CG1 3.68Å; F98-V145 HydrophobicContact CE1-CG2 4.49Å; F98-V145 HydrophobicContact CE2-CG1 4.43Å; F98-V145 HydrophobicContact CG-CG1 4.44Å; F98-V145 HydrophobicContact CZ-CG1 3.96Å; F100-V145 HydrophobicContact CE1-CG2 3.53Å; F100-V145 HydrophobicContact CZ-CG2 3.55Å; V145-S147 PolarHBondContact O-N 3.38Å; V145-V148 WeakPolarHBondContact O-CB 3.38Å; V145-V148 PolarHBondContact O-N 3.23Å; V145-C149 WeakPolarHBondContact O-CB 3.31Å; V145-C149 PolarHBondContact O-N 3.26Å; V145-C149 PolarHBondContact O-SG 3.19Å
146	Q	94.4	Very high	94.7	Very high	55 Å²	55	43.2 Å²	43.2	26%	0.257	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-43.5	175.9	-166.1	-178.8	12.9	0	0	112	L55 D58 P60 S144 V148 C149 L150	L55-Q146 HydrophobicContact CD2-CB 4.04Å; L55-Q146 HydrophobicContact CD2-CG 4.3Å; D58-Q146 PolarHBondContact O-NE2 2.93Å; D58-Q146 VanDerWaalsContact O-NE2 3.16Å; P60-Q146 HydrophobicContact CG-CG 3.78Å; S144-Q146 PolarHBondContact O-N 3.3Å; S144-Q146 PolarHBondContact OG-N 3.48Å; Q146-V148 VanDerWaalsContact C-N 3.32Å; Q146-V148 PolarHBondContact O-N 3.37Å; Q146-C149 WeakPolarHBondContact O-CB 3.27Å; Q146-C149 PolarHBondContact O-N 3.45Å; Q146-L150 HydrophobicContact CG-CD1 4.48Å; Q146-L150 WeakPolarHBondContact O-CG 3.47Å; Q146-L150 PolarHBondContact O-N 2.82Å
147	S	95.3	Very high	94.9	Very high	30 Å²	30	42.9 Å²	42.9	21%	0.21	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-39.3	175.4	64	0	0	0	0	112.2	S144 V145 L150 S151	S144-S147 PolarHBondContact N-OG 3.47Å; S144-S147 PolarHBondContact O-N 2.83Å; S144-S147 VanDerWaalsContact O-N 3.07Å; S144-S147 PolarHBondContact O-OG 2.86Å; S144-S147 PolarHBondContact OG-N 3.19Å; S144-S147 VanDerWaalsContact OG-N 3.12Å; V145-S147 PolarHBondContact O-N 3.38Å; S147-L150 PolarHBondContact O-N 3.01Å; S147-S151 PolarHBondContact O-N 3.09Å; S147-S151 PolarHBondContact O-OG 2.95Å; S147-S151 VanDerWaalsContact O-OG 3.14Å
148	V	96.5	Very high	95.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-46.6	175.3	176.1	0	0	0	0	111.3	F98 V111 I134 L135 W139 S144 V145 Q146 L150 S151 I152	F98-V148 HydrophobicContact CE1-CB 4.17Å; F98-V148 HydrophobicContact CE1-CG1 3.79Å; F98-V148 HydrophobicContact CZ-CG1 4.15Å; V111-V148 HydrophobicContact CG2-CG1 4.15Å; I134-V148 HydrophobicContact CD1-CB 4.13Å; I134-V148 HydrophobicContact CD1-CG1 4.09Å; I134-V148 HydrophobicContact CD1-CG2 4.06Å; L135-V148 HydrophobicContact CD2-CG1 3.74Å; L135-V148 HydrophobicContact CD2-CG2 4.37Å; W139-V148 HydrophobicContact CZ3-CG2 3.81Å; S144-V148 WeakPolarHBondContact O-CG2 2.9Å; S144-V148 PolarHBondContact O-N 3.05Å; S144-V148 VanDerWaalsContact O-N 3.09Å; V145-V148 WeakPolarHBondContact O-CB 3.38Å; V145-V148 PolarHBondContact O-N 3.23Å; Q146-V148 VanDerWaalsContact C-N 3.32Å; Q146-V148 PolarHBondContact O-N 3.37Å; V148-L150 VanDerWaalsContact C-N 3.35Å; V148-L150 PolarHBondContact O-N 2.82Å; V148-S151 PolarHBondContact O-N 2.85Å; V148-I152 HydrophobicContact CG1-CD1 3.97Å; V148-I152 WeakPolarHBondContact O-CG1 3.36Å; V148-I152 PolarHBondContact O-N 3.17Å
149	C	95.6	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.3	-48.4	174.7	-81.6	0	0	0	0	112.2	P60 M63 V145 Q146 S151 I152 I153	P60-C149 HydrophobicContact CG-CB 4.03Å; M63-C149 HydrophobicContact CE-CB 3.86Å; M63-C149 HydrophobicContact SD-CB 3.36Å; M63-C149 WeakPolarHBondContact SD-CB 3.43Å; M63-C149 VanDerWaalsContact SD-SG 3.61Å; V145-C149 WeakPolarHBondContact O-CB 3.31Å; V145-C149 PolarHBondContact O-N 3.26Å; V145-C149 PolarHBondContact O-SG 3.19Å; Q146-C149 WeakPolarHBondContact O-CB 3.27Å; Q146-C149 PolarHBondContact O-N 3.45Å; C149-S151 PolarHBondContact O-N 2.69Å; C149-I152 PolarHBondContact O-N 3.03Å; C149-I153 WeakPolarHBondContact O-CG1 3.49Å; C149-I153 PolarHBondContact O-N 3.07Å
150	L	94.8	Very high	94.9	Very high	83 Å²	83	43.6 Å²	43.6	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-61.9	-41.6	177.8	-71.5	170.2	0	0	0	112.1	P60 Q146 S147 V148 I152 I153 S154	P60-L150 HydrophobicContact CB-CD2 3.88Å; P60-L150 HydrophobicContact CB-CG 4.41Å; P60-L150 HydrophobicContact CG-CD2 4.27Å; P60-L150 HydrophobicContact CG-CG 4.29Å; Q146-L150 HydrophobicContact CG-CD1 4.48Å; Q146-L150 WeakPolarHBondContact O-CG 3.47Å; Q146-L150 PolarHBondContact O-N 2.82Å; S147-L150 PolarHBondContact O-N 3.01Å; V148-L150 VanDerWaalsContact C-N 3.35Å; V148-L150 PolarHBondContact O-N 2.82Å; L150-I152 VanDerWaalsContact C-N 3.32Å; L150-I152 PolarHBondContact O-N 3.22Å; L150-I153 PolarHBondContact O-N 2.75Å; L150-S154 WeakPolarHBondContact O-CB 3.4Å; L150-S154 PolarHBondContact O-N 3.39Å
151	S	96.2	Very high	94.8	Very high	42 Å²	42	46.2 Å²	46.2	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-39.1	175.4	-64.1	0	0	0	0	112.3	I134 S147 V148 C149 S154 M155	I134-S151 VanDerWaalsContact CD1-CB 3.42Å; S147-S151 PolarHBondContact O-N 3.09Å; S147-S151 PolarHBondContact O-OG 2.95Å; S147-S151 VanDerWaalsContact O-OG 3.14Å; V148-S151 PolarHBondContact O-N 2.85Å; C149-S151 PolarHBondContact O-N 2.69Å; S151-S154 PolarHBondContact O-N 3.13Å; S151-M155 VanDerWaalsContact O-CB 3.27Å; S151-M155 WeakPolarHBondContact O-CB 3.39Å; S151-M155 PolarHBondContact O-N 3.3Å
152	I	96.8	Very high	94.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.6	-42.7	177.3	-63.8	164.7	0	0	0	111.1	M81 L96 V111 F113 I130 L132 V148 C149 L150 S154 M155 L156	M81-I152 HydrophobicContact CE-CB 4.22Å; M81-I152 HydrophobicContact CE-CG2 3.45Å; M81-I152 VanDerWaalsContact CE-CG2 3.45Å; L96-I152 HydrophobicContact CD1-CD1 3.75Å; L96-I152 HydrophobicContact CD1-CG2 4.41Å; L96-I152 HydrophobicContact CD2-CD1 4.16Å; L96-I152 HydrophobicContact CD2-CG2 4.48Å; V111-I152 HydrophobicContact CG1-CD1 3.91Å; F113-I152 HydrophobicContact CE2-CG2 4.24Å; F113-I152 HydrophobicContact CZ-CG2 3.65Å; I130-I152 HydrophobicContact CD1-CD1 3.93Å; I130-I152 HydrophobicContact CD1-CG1 4.45Å; L132-I152 HydrophobicContact CD1-CG1 3.63Å; V148-I152 HydrophobicContact CG1-CD1 3.97Å; V148-I152 WeakPolarHBondContact O-CG1 3.36Å; V148-I152 PolarHBondContact O-N 3.17Å; C149-I152 PolarHBondContact O-N 3.03Å; L150-I152 VanDerWaalsContact C-N 3.32Å; L150-I152 PolarHBondContact O-N 3.22Å; I152-S154 VanDerWaalsContact C-N 3.34Å; I152-S154 PolarHBondContact O-N 3.26Å; I152-M155 HydrophobicContact CG2-CE 4.15Å; I152-M155 WeakPolarHBondContact O-CB 3.35Å; I152-M155 PolarHBondContact O-N 2.62Å; I152-L156 WeakPolarHBondContact O-CG 3.18Å; I152-L156 PolarHBondContact O-N 2.79Å
153	I	94.8	Very high	94.8	Very high	30 Å²	30	48.9 Å²	48.9	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-47.4	174.8	-66.7	165.1	0	0	0	110.1	P60 M63 M81 C149 L150 M155 L156 S157	P60-I153 HydrophobicContact CB-CD1 3.95Å; M63-I153 HydrophobicContact CE-CD1 3.64Å; M63-I153 HydrophobicContact CE-CG1 3.53Å; M63-I153 HydrophobicContact CG-CD1 3.97Å; M63-I153 HydrophobicContact SD-CD1 3.66Å; M63-I153 HydrophobicContact SD-CG1 4.26Å; M81-I153 HydrophobicContact CE-CG1 4.45Å; C149-I153 WeakPolarHBondContact O-CG1 3.49Å; C149-I153 PolarHBondContact O-N 3.07Å; L150-I153 PolarHBondContact O-N 2.75Å; I153-M155 VanDerWaalsContact C-N 3.33Å; I153-M155 PolarHBondContact O-N 2.95Å; I153-L156 PolarHBondContact O-N 2.8Å; I153-S157 VanDerWaalsContact O-CB 3.32Å; I153-S157 WeakPolarHBondContact O-CB 3.45Å; I153-S157 PolarHBondContact O-N 3.03Å; I153-S157 PolarHBondContact O-OG 3.13Å
154	S	94.6	Very high	94.7	Very high	76 Å²	76	49.9 Å²	49.9	53%	0.531	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-45.3	179.5	-172.5	0	0	0	0	111.3	L150 S151 I152 L156 S157 S158	L150-S154 WeakPolarHBondContact O-CB 3.4Å; L150-S154 PolarHBondContact O-N 3.39Å; S151-S154 PolarHBondContact O-N 3.13Å; I152-S154 VanDerWaalsContact C-N 3.34Å; I152-S154 PolarHBondContact O-N 3.26Å; S154-L156 PolarHBondContact O-N 3.08Å; S154-S157 PolarHBondContact O-N 2.92Å; S154-S158 PolarHBondContact O-N 3.26Å; S154-S158 PolarHBondContact O-OG 3.08Å; S154-S158 VanDerWaalsContact O-OG 3.09Å
155	M	95.7	Very high	94.6	Very high	13 Å²	13	48.7 Å²	48.7	6%	0.064	25%	0.252	C	S	.	.	H	α-helix	trans	-55.5	-50.8	176.8	176	-163.3	71.5	0	0	111.1	H121 H123 V124 I130 L132 S151 I152 I153 S157 S158	H121-M155 WeakPolarHBondContact CE1-CG 3.31Å; H121-M155 PolarHBondContact NE2-O 3.05Å; H123-M155 HydrophobicContact CB-CG 4.47Å; H123-M155 HydrophobicContact CB-SD 3.59Å; H123-M155 VanDerWaalsContact CB-SD 3.59Å; V124-M155 HydrophobicContact CG2-CE 3.8Å; I130-M155 HydrophobicContact CG2-CE 4.41Å; I130-M155 HydrophobicContact CG2-SD 4.36Å; L132-M155 HydrophobicContact CD1-SD 4.04Å; L132-M155 HydrophobicContact CD2-CB 4.33Å; L132-M155 HydrophobicContact CD2-CG 4.18Å; L132-M155 HydrophobicContact CD2-SD 3.66Å; L132-M155 HydrophobicContact CG-SD 3.87Å; S151-M155 VanDerWaalsContact O-CB 3.27Å; S151-M155 WeakPolarHBondContact O-CB 3.39Å; S151-M155 PolarHBondContact O-N 3.3Å; I152-M155 HydrophobicContact CG2-CE 4.15Å; I152-M155 WeakPolarHBondContact O-CB 3.35Å; I152-M155 PolarHBondContact O-N 2.62Å; I153-M155 VanDerWaalsContact C-N 3.33Å; I153-M155 PolarHBondContact O-N 2.95Å; M155-S157 VanDerWaalsContact C-N 3.34Å; M155-S157 PolarHBondContact O-N 2.92Å; M155-S158 PolarHBondContact O-OG 3.15Å
156	L	95.5	Very high	94.3	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-39.5	177.6	-68.1	-179.4	0	0	0	112	M81 Y89 F113 P119 H121 I152 I153 S154 S158 C159	M81-L156 HydrophobicContact CE-CD1 4.49Å; M81-L156 HydrophobicContact SD-CD1 3.68Å; Y89-L156 HydrophobicContact CD2-CB 3.87Å; Y89-L156 HydrophobicContact CD2-CD2 4.27Å; Y89-L156 WeakPolarHBondContact CD2-O 2.86Å; Y89-L156 HydrophobicContact CE1-CD2 4.44Å; Y89-L156 HydrophobicContact CE2-CB 4.02Å; Y89-L156 HydrophobicContact CE2-CD2 3.87Å; Y89-L156 VanDerWaalsContact CE2-O 3.3Å; Y89-L156 WeakPolarHBondContact CE2-O 3.29Å; F113-L156 HydrophobicContact CZ-CD1 4.08Å; P119-L156 HydrophobicContact CB-CD2 4.11Å; P119-L156 HydrophobicContact CG-CD2 4.24Å; H121-L156 HydrophobicContact CB-CD2 4.07Å; I152-L156 WeakPolarHBondContact O-CG 3.18Å; I152-L156 PolarHBondContact O-N 2.79Å; I153-L156 PolarHBondContact O-N 2.8Å; S154-L156 PolarHBondContact O-N 3.08Å; L156-S158 PolarHBondContact O-N 2.91Å; L156-C159 VanDerWaalsContact O-CB 3.25Å; L156-C159 WeakPolarHBondContact O-CB 3.48Å; L156-C159 PolarHBondContact O-N 2.88Å
157	S	94.3	Very high	93.9	Very high	46 Å²	46	53.4 Å²	53.4	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-69.5	-32.4	-176.3	-56.4	0	0	0	0	112.9	I153 S154 M155 C159	I153-S157 VanDerWaalsContact O-CB 3.32Å; I153-S157 WeakPolarHBondContact O-CB 3.45Å; I153-S157 PolarHBondContact O-N 3.03Å; I153-S157 PolarHBondContact O-OG 3.13Å; S154-S157 PolarHBondContact O-N 2.92Å; M155-S157 VanDerWaalsContact C-N 3.34Å; M155-S157 PolarHBondContact O-N 2.92Å; S157-C159 PolarHBondContact O-N 3.46Å
158	S	93.9	Very high	93.5	Very high	83 Å²	83	53 Å²	53	58%	0.58	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.1	176.7	56.4	0	0	0	0	114.3	S154 M155 L156 K160	S154-S158 PolarHBondContact O-N 3.26Å; S154-S158 PolarHBondContact O-OG 3.08Å; S154-S158 VanDerWaalsContact O-OG 3.09Å; M155-S158 PolarHBondContact O-OG 3.15Å; L156-S158 PolarHBondContact O-N 2.91Å; S158-K160 PolarHBondContact O-N 3.12Å
159	C	94	Very high	93	Very high	17 Å²	17	57 Å²	57	12%	0.115	31%	0.309	C	S	.	.			trans	-71.4	124.1	-174.5	-163.7	0	0	0	0	111.8	L88 Y89 H121 L156 S157 E161	L88-C159 WeakPolarHBondContact CD1-O 3.25Å; Y89-C159 HydrophobicContact CE2-CB 3.91Å; H121-C159 PolarHBondContact CD2-SG 3.44Å; L156-C159 VanDerWaalsContact O-CB 3.25Å; L156-C159 WeakPolarHBondContact O-CB 3.48Å; L156-C159 PolarHBondContact O-N 2.88Å; S157-C159 PolarHBondContact O-N 3.46Å; C159-E161 PolarHBondContact SG-O 3.39Å
160	K	92.2	Very high	92.4	Very high	168 Å²	168	63.9 Å²	63.9	73%	0.73	34%	0.339	S	S	*	.	S	Bend	trans	-90.3	-18.5	177.4	-61.1	173.9	-171.4	160	0	113.4	S158 C191	S158-K160 PolarHBondContact O-N 3.12Å; K160-C191 PolarHBondContact NZ-OXT 3.39Å
161	E	93.7	Very high	91.9	Very high	107 Å²	107	60.3 Å²	60.3	50%	0.5	32%	0.32	S	S	.	.	S	Bend	trans	-151.9	130.3	-176.7	-173.3	-174.1	-165.4	0	0	111.9	C159 R163	C159-E161 PolarHBondContact SG-O 3.39Å; E161-R163 PolarHBondContact O-N 3.41Å; E161-R163 IonicContact OE2-CZ 2.69Å; E161-R163 IonicContact OE2-NH1 3.9Å; E161-R163 PolarHBondContact OE2-NH1 3.21Å
162	K	94.7	Very high	91.3	Very high	83 Å²	83	60.8 Å²	60.8	36%	0.361	32%	0.321	S	S	.	.			trans	-74.3	93.7	173.6	-71.4	-172	-177.3	172.9	0	110.8	L88 Y89 E92 V120	L88-K162 HydrophobicContact CB-CG 4.3Å; L88-K162 HydrophobicContact CD1-CG 4.19Å; L88-K162 WeakPolarHBondContact O-CE 3.48Å; L88-K162 PolarHBondContact O-NZ 3.45Å; Y89-K162 HydrophobicContact CE1-CD 4.18Å; Y89-K162 HydrophobicContact CE1-CG 4.1Å; E92-K162 IonicContact OE1-NZ 3.13Å; E92-K162 PolarHBondContact OE1-NZ 2.61Å; E92-K162 IonicContact OE2-NZ 2.7Å; V120-K162 HydrophobicContact CB-CB 4.26Å; V120-K162 HydrophobicContact CG1-CB 4.19Å
163	R	94.1	Very high	90.6	Very high	110 Å²	110	71.3 Å²	71.3	42%	0.415	36%	0.361	S	S	.	.			trans	-132.4	157.3	171.4	64.3	-173.8	-175.7	-142.3	6.6	111.5	H121 P122 E161 C191	H121-R163 CarbonylContact C-O 3.56Å; H121-R163 WeakPolarHBondContact CA-O 3.39Å; H121-R163 PolarHBondContact N-O 2.93Å; P122-R163 WeakPolarHBondContact CD-O 3.19Å; P122-R163 HydrophobicContact CG-CG 3.76Å; E161-R163 PolarHBondContact O-N 3.41Å; E161-R163 IonicContact OE2-CZ 2.69Å; E161-R163 IonicContact OE2-NH1 3.9Å; E161-R163 PolarHBondContact OE2-NH1 3.21Å; R163-C191 PolarHBondContact NH2-SG 3.03Å; R163-C191 VanDerWaalsContact NH2-SG 3.41Å
164	R	93.5	Very high	89.8	Confident	68 Å²	68	74 Å²	74	26%	0.257	38%	0.378	S	S	.	.			trans	-85.7	161.8	173.6	-69.7	-65.2	-178.2	-173.1	-8	110.8	I118 P119 V120 V124 N168	I118-R164 PolarHBondContact O-NH2 3.27Å; P119-R164 PolarHBondContact O-NH1 2.95Å; V120-R164 HydrophobicContact CG1-CG 4.14Å; V124-R164 PolarHBondContact O-NH1 2.75Å; R164-N168 HydrophobicContact CB-CB 4.12Å
165	P	91.9	Very high	88.7	Confident	8 Å²	8	71.5 Å²	71.5	5%	0.052	36%	0.361	C	S	.	.			trans	-53.2	142.3	166.6	-18.3	26	0	0	0	111	H121 P122 V124 Y125 D167 N168	H121-P165 WeakPolarHBondContact O-CD 3.47Å; P122-P165 VanDerWaalsContact O-CG 3.26Å; P122-P165 WeakPolarHBondContact O-CG 3.44Å; V124-P165 WeakPolarHBondContact O-CD 3.39Å; Y125-P165 HydrophobicContact CD1-CB 4.3Å; Y125-P165 HydrophobicContact CD1-CG 3.92Å; Y125-P165 HydrophobicContact CD2-CG 4.14Å; Y125-P165 HydrophobicContact CE1-CB 3.78Å; Y125-P165 HydrophobicContact CE1-CG 3.82Å; Y125-P165 HydrophobicContact CE2-CB 4.48Å; Y125-P165 HydrophobicContact CE2-CG 3.99Å; Y125-P165 HydrophobicContact CG-CG 4.1Å; P165-D167 VanDerWaalsContact CB-OD1 3.25Å; P165-D167 WeakPolarHBondContact CB-OD1 3.36Å; P165-D167 PolarHBondContact O-N 3.29Å; P165-N168 WeakPolarHBondContact O-CB 3.25Å; P165-N168 PolarHBondContact O-N 3.14Å
166	P	87.6	Confident	87.2	Confident	119 Å²	119	74.9 Å²	74.9	77%	0.773	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.9	-177.6	25.1	-34	0	0	0	112.7
167	D	86.9	Confident	85.6	Confident	34 Å²	34	83.9 Å²	83.9	18%	0.182	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	7.3	178.8	68.4	-36.8	0	0	0	113.5	Y125 P165 S169 F170 Y171	Y125-D167 WeakPolarHBondContact CE1-OD1 3.26Å; Y125-D167 PolarHBondContact OH-OD1 2.85Å; Y125-D167 PolarHBondContact OH-OD2 2.86Å; P165-D167 VanDerWaalsContact CB-OD1 3.25Å; P165-D167 WeakPolarHBondContact CB-OD1 3.36Å; P165-D167 PolarHBondContact O-N 3.29Å; D167-S169 PolarHBondContact O-N 3.17Å; D167-F170 PolarHBondContact O-N 3.43Å; D167-Y171 WeakPolarHBondContact O-CB 3.41Å; D167-Y171 PolarHBondContact O-N 2.9Å
168	N	87.1	Confident	84	Confident	21 Å²	21	84 Å²	84	11%	0.112	42%	0.415	C	S	.	.	H	α-helix	trans	-50.6	-50.9	-170.3	178	78.7	0	0	0	114	Y125 S126 R164 P165 F170 Y171 V172	Y125-N168 WeakPolarHBondContact CA-OD1 3.46Å; Y125-N168 HydrophobicContact CD1-CB 4.39Å; S126-N168 PolarHBondContact N-OD1 3.08Å; S126-N168 PolarHBondContact OG-ND2 2.99Å; S126-N168 PolarHBondContact OG-OD1 3.27Å; R164-N168 HydrophobicContact CB-CB 4.12Å; P165-N168 WeakPolarHBondContact O-CB 3.25Å; P165-N168 PolarHBondContact O-N 3.14Å; N168-F170 VanDerWaalsContact C-N 3.31Å; N168-F170 PolarHBondContact O-N 3.41Å; N168-Y171 PolarHBondContact O-N 2.83Å; N168-V172 WeakPolarHBondContact O-CB 3.24Å; N168-V172 VanDerWaalsContact O-CG2 3.23Å; N168-V172 WeakPolarHBondContact O-CG2 3.11Å; N168-V172 PolarHBondContact O-N 3.16Å
169	S	84.9	Confident	82.5	Confident	84 Å²	84	80.5 Å²	80.5	59%	0.587	39%	0.39	S	S	*	.	H	α-helix	trans	-64.1	-36.6	-178.2	-63	0	0	0	0	112.4	D167 R173	D167-S169 PolarHBondContact O-N 3.17Å; S169-R173 WeakPolarHBondContact O-CD 3.29Å; S169-R173 VanDerWaalsContact O-CG 3.24Å; S169-R173 WeakPolarHBondContact O-CG 3.39Å
170	F	83.4	Confident	80.9	Confident	145 Å²	145	83.6 Å²	83.6	64%	0.636	40%	0.402	S	S	*	.	H	α-helix	trans	-72.7	-47.1	178.2	178.2	-97.4	0	0	0	110.8	D167 N168 R173 T174	D167-F170 PolarHBondContact O-N 3.43Å; N168-F170 VanDerWaalsContact C-N 3.31Å; N168-F170 PolarHBondContact O-N 3.41Å; F170-R173 PolarHBondContact O-N 3.17Å; F170-T174 HydrophobicContact CD2-CG2 4.36Å; F170-T174 HydrophobicContact CE1-CG2 4.33Å; F170-T174 HydrophobicContact CE2-CG2 4.02Å; F170-T174 HydrophobicContact CZ-CG2 4Å; F170-T174 WeakPolarHBondContact O-CB 3.49Å; F170-T174 WeakPolarHBondContact O-CG2 3.43Å; F170-T174 PolarHBondContact O-N 3.41Å; F170-T174 VanDerWaalsContact O-N 3.14Å; F170-T174 PolarHBondContact O-OG1 3.22Å
171	Y	84.5	Confident	79.4	Confident	9 Å²	9	83 Å²	83	4%	0.035	40%	0.399	C	S	.	.	H	α-helix	trans	-59	-50.7	178.7	-178	-85	0	0	0	111.4	Y125 H129 D167 N168 R173 T174 C175 T182 W184	Y125-Y171 AromaticContact CD1-CD1 3.31Å; Y125-Y171 HydrophobicContact CD1-CD1 3.31Å; Y125-Y171 HydrophobicContact CD1-CD2 4.34Å; Y125-Y171 HydrophobicContact CD1-CE1 4.06Å; Y125-Y171 AromaticContact CD1-CG 3.52Å; Y125-Y171 HydrophobicContact CD1-CG 3.52Å; Y125-Y171 HydrophobicContact CD2-CD1 4.27Å; Y125-Y171 HydrophobicContact CD2-CE1 4.21Å; Y125-Y171 AromaticContact CE1-CD1 3.64Å; Y125-Y171 HydrophobicContact CE1-CD1 3.64Å; Y125-Y171 AromaticContact CE1-CD2 3.79Å; Y125-Y171 HydrophobicContact CE1-CD2 3.79Å; Y125-Y171 HydrophobicContact CE1-CE1 4.4Å; Y125-Y171 AromaticContact CE1-CG 3.31Å; Y125-Y171 HydrophobicContact CE1-CG 3.31Å; Y125-Y171 AromaticContact CG-CD1 3.65Å; Y125-Y171 HydrophobicContact CG-CD1 3.65Å; Y125-Y171 AromaticContact CG-CE1 3.94Å; Y125-Y171 HydrophobicContact CG-CE1 3.94Å; Y125-Y171 HydrophobicContact CG-CG 4.22Å; Y125-Y171 AromaticContact CZ-CD2 3.89Å; Y125-Y171 AromaticContact CZ-CG 3.88Å; H129-Y171 HydrophobicContact CB-CE1 4.02Å; H129-Y171 AromaticContact CG-CE1 3.97Å; H129-Y171 AromaticContact ND1-CE1 3.29Å; H129-Y171 VanDerWaalsContact ND1-CE1 3.29Å; H129-Y171 WeakPolarHBondContact ND1-CE1 3.31Å; H129-Y171 AromaticContact ND1-CZ 3.53Å; H129-Y171 PolarHBondContact ND1-OH 2.74Å; D167-Y171 WeakPolarHBondContact O-CB 3.41Å; D167-Y171 PolarHBondContact O-N 2.9Å; N168-Y171 PolarHBondContact O-N 2.83Å; Y171-R173 PolarHBondContact O-N 2.97Å; Y171-T174 PolarHBondContact O-N 3.42Å; Y171-T174 VanDerWaalsContact O-N 3.09Å; Y171-T174 PolarHBondContact O-OG1 3.05Å; Y171-C175 HydrophobicContact CD1-CB 3.89Å; Y171-C175 HydrophobicContact CD2-CB 4.49Å; Y171-C175 HydrophobicContact CE1-CB 3.53Å; Y171-C175 VanDerWaalsContact CE1-SG 3.59Å; Y171-C175 HydrophobicContact CE2-CB 4.21Å; Y171-C175 HydrophobicContact CG-CB 4.33Å; Y171-C175 WeakPolarHBondContact O-CA 3.18Å; Y171-C175 WeakPolarHBondContact O-CB 3.23Å; Y171-C175 PolarHBondContact O-N 3.22Å; Y171-C175 PolarHBondContact O-SG 3.42Å; Y171-T182 HydrophobicContact CD2-CG2 4.07Å; Y171-T182 HydrophobicContact CE2-CG2 3.33Å; Y171-T182 PolarHBondContact OH-OG1 3.09Å; Y171-W184 HydrophobicContact CD2-CZ3 4.09Å; Y171-W184 HydrophobicContact CE1-CH2 4.27Å; Y171-W184 HydrophobicContact CE1-CZ3 4.32Å; Y171-W184 AromaticContact CE2-CE3 3.71Å; Y171-W184 HydrophobicContact CE2-CE3 3.71Å; Y171-W184 AromaticContact CE2-CH2 3.72Å; Y171-W184 HydrophobicContact CE2-CH2 3.72Å; Y171-W184 HydrophobicContact CE2-CZ2 4.49Å; Y171-W184 AromaticContact CE2-CZ3 3.19Å; Y171-W184 HydrophobicContact CE2-CZ3 3.19Å; Y171-W184 AromaticContact CZ-CH2 3.38Å; Y171-W184 AromaticContact CZ-CZ3 3.37Å; Y171-W184 WeakPolarHBondContact OH-CH2 3.4Å; Y171-W184 VanDerWaalsContact OH-CZ2 3.29Å; Y171-W184 WeakPolarHBondContact OH-CZ2 3.4Å; Y171-W184 WeakPolarHBondContact OH-CZ3 3.24Å
172	V	84.2	Confident	77.7	Confident	52 Å²	52	79.1 Å²	79.1	32%	0.315	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-31.9	-176.6	172.3	0	0	0	0	112	N127 N168	N127-V172 HydrophobicContact CB-CG1 4.31Å; N127-V172 HydrophobicContact CB-CG2 4.19Å; N168-V172 WeakPolarHBondContact O-CB 3.24Å; N168-V172 VanDerWaalsContact O-CG2 3.23Å; N168-V172 WeakPolarHBondContact O-CG2 3.11Å; N168-V172 PolarHBondContact O-N 3.16Å
173	R	80.6	Confident	75.7	Confident	221 Å²	221	82.6 Å²	82.6	83%	0.834	40%	0.398	S	S	*	.	H	α-helix	trans	-75.2	-31	176.9	-72	175.4	-178.2	-166.6	1	113.6	S169 F170 Y171	S169-R173 WeakPolarHBondContact O-CD 3.29Å; S169-R173 VanDerWaalsContact O-CG 3.24Å; S169-R173 WeakPolarHBondContact O-CG 3.39Å; F170-R173 PolarHBondContact O-N 3.17Å; Y171-R173 PolarHBondContact O-N 2.97Å
174	T	78.3	Confident	73.8	Confident	85 Å²	85	79 Å²	79	52%	0.521	39%	0.385	S	S	.	.	H	α-helix	trans	-106.4	-21.7	-169.6	55.5	0	0	0	0	113.4	F170 Y171	F170-T174 HydrophobicContact CD2-CG2 4.36Å; F170-T174 HydrophobicContact CE1-CG2 4.33Å; F170-T174 HydrophobicContact CE2-CG2 4.02Å; F170-T174 HydrophobicContact CZ-CG2 4Å; F170-T174 WeakPolarHBondContact O-CB 3.49Å; F170-T174 WeakPolarHBondContact O-CG2 3.43Å; F170-T174 PolarHBondContact O-N 3.41Å; F170-T174 VanDerWaalsContact O-N 3.14Å; F170-T174 PolarHBondContact O-OG1 3.22Å; Y171-T174 PolarHBondContact O-N 3.42Å; Y171-T174 VanDerWaalsContact O-N 3.09Å; Y171-T174 PolarHBondContact O-OG1 3.05Å
175	C	71	Confident	71.9	Confident	24 Å²	24	83.6 Å²	83.6	16%	0.162	40%	0.402	C	S	.	.			trans	-70.5	146.5	-175.5	71.1	0	0	0	0	111.7	N127 Y171 T182	N127-C175 PolarHBondContact ND2-SG 3.21Å; Y171-C175 HydrophobicContact CD1-CB 3.89Å; Y171-C175 HydrophobicContact CD2-CB 4.49Å; Y171-C175 HydrophobicContact CE1-CB 3.53Å; Y171-C175 VanDerWaalsContact CE1-SG 3.59Å; Y171-C175 HydrophobicContact CE2-CB 4.21Å; Y171-C175 HydrophobicContact CG-CB 4.33Å; Y171-C175 WeakPolarHBondContact O-CA 3.18Å; Y171-C175 WeakPolarHBondContact O-CB 3.23Å; Y171-C175 PolarHBondContact O-N 3.22Å; Y171-C175 PolarHBondContact O-SG 3.42Å; C175-T182 HydrophobicContact CB-CG2 4.15Å
176	N	64.9	Low	70.1	Confident	85 Å²	85	87.3 Å²	87.3	46%	0.455	42%	0.416	S	S	.	.			trans	-75	154.4	171.9	-157.8	-35.5	0	0	0	109	H129 N178 K181	H129-N176 PolarHBondContact CE1-O 2.77Å; N176-N178 CarbonylContact O-C 2.77Å; N176-N178 PolarHBondContact O-N 3.4Å; N176-K181 HydrophobicContact CB-CB 4.37Å
177	K	61.9	Low	68.7	Low	192 Å²	192	87.5 Å²	87.5	84%	0.835	41%	0.406	S	S	*	.	S	Bend	trans	-56.4	-15.7	173.8	-66.8	-174.8	179.4	-177.8	0	113.5
178	N	61.1	Low	67.6	Low	48 Å²	48	92.3 Å²	92.3	26%	0.257	43%	0.432	S	S	.	.	S	Bend	trans	-104.4	110.6	169.3	-172.6	-14.6	0	0	0	109.9	N176 K180 K181	N176-N178 CarbonylContact O-C 2.77Å; N176-N178 PolarHBondContact O-N 3.4Å; N178-K180 PolarHBondContact O-N 2.76Å; N178-K180 VanDerWaalsContact O-N 3.15Å; N178-K180 WeakPolarHBondContact OD1-CB 3.41Å; N178-K180 PolarHBondContact OD1-N 3.39Å; N178-K180 VanDerWaalsContact OD1-N 3.08Å; N178-K181 HydrophobicContact CB-CG 4.49Å; N178-K181 PolarHBondContact O-N 2.75Å; N178-K181 VanDerWaalsContact O-N 3.12Å
179	P	62.4	Low	65.9	Low	10 Å²	10	98.1 Å²	98.1	7%	0.065	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-59.2	-25.9	-179.7	13.9	-16	0	0	0	113	Q110 H129 K181 T182 W184	Q110-P179 HydrophobicContact CG-CG 3.78Å; H129-P179 HydrophobicContact CB-CB 4.35Å; P179-K181 PolarHBondContact O-N 2.92Å; P179-T182 WeakPolarHBondContact O-CB 3.49Å; P179-T182 PolarHBondContact O-N 2.84Å; P179-T182 VanDerWaalsContact O-N 3.13Å; P179-T182 PolarHBondContact O-OG1 3.02Å; P179-W184 HydrophobicContact CB-CZ2 3.94Å
180	K	60.7	Low	64.3	Low	83 Å²	83	100.6 Å²	100.6	36%	0.361	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-67.8	-18.5	179.3	-66.3	-173.2	157.9	-146.4	0	114.3	S108 Q110 N178 T182	S108-K180 VanDerWaalsContact C-NZ 3.28Å; S108-K180 WeakPolarHBondContact O-CE 3.48Å; S108-K180 PolarHBondContact O-NZ 3.44Å; S108-K180 WeakPolarHBondContact OG-CE 3.45Å; S108-K180 PolarHBondContact OG-NZ 3.21Å; Q110-K180 HydrophobicContact CB-CD 4.49Å; N178-K180 PolarHBondContact O-N 2.76Å; N178-K180 VanDerWaalsContact O-N 3.15Å; N178-K180 WeakPolarHBondContact OD1-CB 3.41Å; N178-K180 PolarHBondContact OD1-N 3.39Å; N178-K180 VanDerWaalsContact OD1-N 3.08Å; K180-T182 VanDerWaalsContact C-N 3.33Å
181	K	60.4	Low	62.6	Low	154 Å²	154	100.5 Å²	100.5	67%	0.67	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-89.3	-4.4	177	-66.4	-172.5	176.4	-175.4	0	112.3	N176 N178 P179	N176-K181 HydrophobicContact CB-CB 4.37Å; N178-K181 HydrophobicContact CB-CG 4.49Å; N178-K181 PolarHBondContact O-N 2.75Å; N178-K181 VanDerWaalsContact O-N 3.12Å; P179-K181 PolarHBondContact O-N 2.92Å
182	T	58	Low	61.5	Low	26 Å²	26	105.1 Å²	105.1	16%	0.16	51%	0.513	C	S	.	.	S	Bend	trans	-90.6	132.6	-179.2	-43.2	0	0	0	0	109.4	Y171 C175 P179 K180 W184	Y171-T182 HydrophobicContact CD2-CG2 4.07Å; Y171-T182 HydrophobicContact CE2-CG2 3.33Å; Y171-T182 PolarHBondContact OH-OG1 3.09Å; C175-T182 HydrophobicContact CB-CG2 4.15Å; P179-T182 WeakPolarHBondContact O-CB 3.49Å; P179-T182 PolarHBondContact O-N 2.84Å; P179-T182 VanDerWaalsContact O-N 3.13Å; P179-T182 PolarHBondContact O-OG1 3.02Å; K180-T182 VanDerWaalsContact C-N 3.33Å; T182-W184 PolarHBondContact O-N 3.14Å
183	K	51.8	Low	60.3	Low	156 Å²	156	107.9 Å²	107.9	68%	0.678	52%	0.524	S	S	*	.			trans	-75.8	115.3	171.6	-174.7	178.6	179.4	-178	0	108.1	W185	K183-W185 HydrophobicContact CD-CZ2 4.14Å
184	W	54	Low	59.2	Low	36 Å²	36	101.6 Å²	101.6	14%	0.136	51%	0.506	C	S	.	.			trans	-81.8	142.5	-179.4	-63.1	105.3	0	0	0	111.2	Y125 H129 C131 Y171 P179 T182 Y186	Y125-W184 HydrophobicContact CD2-CH2 4.25Å; Y125-W184 AromaticContact CD2-CZ3 3.99Å; Y125-W184 HydrophobicContact CD2-CZ3 3.99Å; Y125-W184 HydrophobicContact CE2-CE3 4.27Å; Y125-W184 HydrophobicContact CE2-CH2 4Å; Y125-W184 AromaticContact CE2-CZ3 3.31Å; Y125-W184 HydrophobicContact CE2-CZ3 3.31Å; Y125-W184 AromaticContact CZ-CZ3 3.82Å; H129-W184 HydrophobicContact CB-CH2 4.1Å; C131-W184 HydrophobicContact CB-CE3 4.48Å; C131-W184 HydrophobicContact CB-CZ3 4.32Å; Y171-W184 HydrophobicContact CD2-CZ3 4.09Å; Y171-W184 HydrophobicContact CE1-CH2 4.27Å; Y171-W184 HydrophobicContact CE1-CZ3 4.32Å; Y171-W184 AromaticContact CE2-CE3 3.71Å; Y171-W184 HydrophobicContact CE2-CE3 3.71Å; Y171-W184 AromaticContact CE2-CH2 3.72Å; Y171-W184 HydrophobicContact CE2-CH2 3.72Å; Y171-W184 HydrophobicContact CE2-CZ2 4.49Å; Y171-W184 AromaticContact CE2-CZ3 3.19Å; Y171-W184 HydrophobicContact CE2-CZ3 3.19Å; Y171-W184 AromaticContact CZ-CH2 3.38Å; Y171-W184 AromaticContact CZ-CZ3 3.37Å; Y171-W184 WeakPolarHBondContact OH-CH2 3.4Å; Y171-W184 VanDerWaalsContact OH-CZ2 3.29Å; Y171-W184 WeakPolarHBondContact OH-CZ2 3.4Å; Y171-W184 WeakPolarHBondContact OH-CZ3 3.24Å; P179-W184 HydrophobicContact CB-CZ2 3.94Å; T182-W184 PolarHBondContact O-N 3.14Å; W184-Y186 HydrophobicContact CB-CE2 4.35Å
185	W	54.6	Low	58.1	Low	163 Å²	163	102.6 Å²	102.6	62%	0.617	51%	0.506	S	S	*	.			trans	-115.6	104.5	167.2	-60.2	102.9	0	0	0	106.5	K183 H187	K183-W185 HydrophobicContact CD-CZ2 4.14Å; W185-H187 PolarHBondContact O-N 3.2Å
186	Y	53.8	Low	57.3	Low	87 Å²	87	107.5 Å²	107.5	34%	0.341	53%	0.527	S	S	.	.			trans	-74.4	120.2	176	-59.1	-78.9	0	0	0	108.3	C131 T136 E137 W184 D188	C131-Y186 VanDerWaalsContact SG-CE1 3.54Å; T136-Y186 PolarHBondContact OG1-OH 2.88Å; E137-Y186 WeakPolarHBondContact OE1-CE2 3.37Å; W184-Y186 HydrophobicContact CB-CE2 4.35Å; Y186-D188 PolarHBondContact O-N 3.33Å
187	H	58.1	Low	56.8	Low	123 Å²	123	109 Å²	109	57%	0.569	53%	0.532	S	S	*	.			trans	-96.8	74.7	169.5	-64.5	-66.8	0	0	0	107.1	W185	W185-H187 PolarHBondContact O-N 3.2Å
188	D	64.5	Low	56.4	Low	134 Å²	134	103.1 Å²	103.1	72%	0.717	51%	0.51	S	S	*	.			trans	-106.3	76.6	179.6	-142.5	11.4	0	0	0	108.7	Y186	Y186-D188 PolarHBondContact O-N 3.33Å
189	D	51.5	Low	56	Low	144 Å²	144	107.3 Å²	107.3	77%	0.77	53%	0.53	S	S	*	.	S	Bend	trans	-124.7	83.6	170.3	-69.3	-45.8	0	0	0	107.9
190	T	50.9	Low	55.5	Low	135 Å²	135	115.4 Å²	115.4	83%	0.828	57%	0.568	S	S	*	*			trans	54.6	108.4	162.2	49.4	0	0	0	0	117.7
191	C	47.6	Very low	55	Low	144 Å²	144	118.4 Å²	118.4	97%	0.973	59%	0.587	S	S	*	*			trans	-141.7	0	162.9	-80.6	0	0	0	0	111.9	K160 R163	K160-C191 PolarHBondContact NZ-OXT 3.39Å; R163-C191 PolarHBondContact NH2-SG 3.03Å; R163-C191 VanDerWaalsContact NH2-SG 3.41Å

Retrieved 191 of 191 residues in 36.5 ms (Link to these results)

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