A0A087YAZ8_POEFO Loading...

Cytokine inducible SH2-containing protein a

AlphaFold DB , UniProt , Accession A0A087YAZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 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	31.1	Very low	34.7	Very low	104 Å²	104	136.1 Å²	136.1	51%	0.512	70%	0.703	S	S	.	*				0	117.9	0	-98.8	-168.5	-71.6	0	0	107.2	S123 S125 A127	M1-S123 WeakPolarHBondContact O-CA 3.35Å; M1-S123 WeakPolarHBondContact O-CB 3.37Å; M1-S123 PolarHBondContact O-OG 3.27Å; M1-S125 WeakPolarHBondContact CB-OG 3.15Å; M1-S125 WeakPolarHBondContact CE-OG 3.48Å; M1-S125 PolarHBondContact O-OG 3.04Å; M1-A127 HydrophobicContact CB-CB 4.35Å; M1-A127 HydrophobicContact CE-CB 4.36Å
2	I	28.8	Very low	35	Very low	33 Å²	33	138.9 Å²	138.9	17%	0.169	72%	0.719	C	S	.	*			trans	-123.7	98.1	-173.1	-50.4	-174.6	0	0	0	107	I110 L121 D122	I2-I110 HydrophobicContact CB-CD1 4.29Å; I2-I110 HydrophobicContact CB-CG1 3.88Å; I2-I110 HydrophobicContact CB-CG2 4.35Å; I2-I110 HydrophobicContact CD1-CB 4.32Å; I2-I110 HydrophobicContact CD1-CD1 4.16Å; I2-I110 HydrophobicContact CD1-CG1 4.19Å; I2-I110 HydrophobicContact CD1-CG2 3.32Å; I2-I110 HydrophobicContact CG1-CG2 4.38Å; I2-I110 HydrophobicContact CG2-CB 4.02Å; I2-I110 HydrophobicContact CG2-CG1 3.68Å; I2-I110 HydrophobicContact CG2-CG2 3.89Å; I2-L121 HydrophobicContact CD1-CB 3.38Å; I2-L121 HydrophobicContact CD1-CD1 3.98Å; I2-L121 HydrophobicContact CD1-CG 4.24Å; I2-D122 VanDerWaalsContact CB-O 3.31Å; I2-D122 WeakPolarHBondContact CB-O 3.22Å; I2-D122 WeakPolarHBondContact CD1-O 3.4Å; I2-D122 WeakPolarHBondContact CG1-O 3.02Å; I2-D122 WeakPolarHBondContact CG2-O 3.28Å
3	L	36.7	Very low	35.2	Very low	124 Å²	124	138 Å²	138	65%	0.649	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-91.2	132.2	171.8	-69.4	153.4	0	0	0	109.2	S124	L3-S124 WeakPolarHBondContact CA-OG 3.3Å; L3-S124 VanDerWaalsContact CB-OG 3.22Å; L3-S124 WeakPolarHBondContact CB-OG 3.49Å; L3-S124 PolarHBondContact N-OG 3.13Å; L3-S124 PolarHBondContact O-OG 3.31Å
4	C	35.3	Very low	34.9	Very low	81 Å²	81	135.2 Å²	135.2	55%	0.547	73%	0.733	S	S	.	*	P	Polyproline II helix	trans	-78.6	116.2	178.9	-176.9	0	0	0	0	108.9
5	E	37.1	Very low	35	Very low	150 Å²	150	132.4 Å²	132.4	70%	0.701	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-90.5	125.8	170.3	-69.5	-158.1	161.2	0	0	111.8
6	R	36	Very low	35.3	Very low	235 Å²	235	132.1 Å²	132.1	89%	0.887	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-66.4	134.4	162.8	-75.2	173.7	170.5	164.7	-3.9	108.1
7	G	39.8	Very low	35.2	Very low	78 Å²	78	130.7 Å²	130.7	80%	0.804	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-58.1	135.5	-176.5	0	0	0	0	0	113
8	L	35.7	Very low	35.1	Very low	175 Å²	175	129.1 Å²	129.1	92%	0.916	74%	0.741	S	S	*	*			trans	-108.3	133	163.9	-123.2	90.8	0	0	0	110
9	R	32.8	Very low	34.9	Very low	238 Å²	238	132 Å²	132	90%	0.898	75%	0.747	S	S	*	*			trans	-70	150.9	178.6	-73.8	175.5	166.5	-172.9	-4.7	111.4
10	S	36.8	Very low	34.8	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	75%	0.745	S	S	*	*			trans	-38.6	135.2	170.8	52.4	0	0	0	0	116.3
11	L	32	Very low	35.3	Very low	171 Å²	171	128.8 Å²	128.8	90%	0.895	74%	0.744	S	S	*	*			trans	-144.9	113.6	148.2	-72.6	176.6	0	0	0	109.6
12	L	38.4	Very low	35.5	Very low	170 Å²	170	136 Å²	136	89%	0.89	77%	0.765	S	S	*	*			trans	-67.1	155.5	163	-77.5	157.3	0	0	0	109.8
13	P	36.8	Very low	35.7	Very low	127 Å²	127	138.2 Å²	138.2	83%	0.825	80%	0.797	S	S	*	*				-139.7	161.4	126.8	26.1	-6.8	0	0	0	115.4
14	A	31.4	Very low	35.7	Very low	99 Å²	99	141.4 Å²	141.4	82%	0.818	81%	0.811	S	S	*	*			trans	-70.8	164.4	-170.2	0	0	0	0	0	116.1
15	A	36.3	Very low	36.1	Very low	93 Å²	93	149.1 Å²	149.1	77%	0.769	83%	0.828	S	S	*	*			trans	-66.2	162.3	168.5	0	0	0	0	0	113
16	P	40.3	Very low	36.2	Very low	128 Å²	128	151 Å²	151	83%	0.831	84%	0.837	S	S	*	*				-141.8	171.5	117.7	34.2	-17.5	0	0	0	115
17	S	32.3	Very low	36.3	Very low	108 Å²	108	143 Å²	143	76%	0.755	83%	0.827	S	S	*	*			trans	-91	155.9	-167.7	54.3	0	0	0	0	116.4
18	S	33.5	Very low	36.7	Very low	101 Å²	101	146.6 Å²	146.6	71%	0.706	83%	0.834	S	S	*	*			trans	88	135.4	135.6	-143.6	0	0	0	0	122.5
19	Q	31.2	Very low	36.9	Very low	185 Å²	185	142.2 Å²	142.2	86%	0.864	82%	0.823	S	S	*	*			trans	91.9	120.2	153.5	-76.5	171.5	61.6	0	0	121.7
20	A	34.2	Very low	37.4	Very low	85 Å²	85	135.8 Å²	135.8	70%	0.702	82%	0.82	S	S	*	*			trans	-90	173.2	161.3	0	0	0	0	0	109.6
21	P	44.8	Very low	37.6	Very low	112 Å²	112	138.2 Å²	138.2	73%	0.727	82%	0.823	S	S	*	*				-152.2	154.6	59.5	36.3	-12.7	0	0	0	119
22	W	35.3	Very low	38.4	Very low	254 Å²	254	133.6 Å²	133.6	96%	0.962	81%	0.81	S	S	*	*			trans	57.1	115.4	135.8	-57.5	13.7	0	0	0	121
23	G	33	Very low	38.6	Very low	80 Å²	80	131 Å²	131	83%	0.825	80%	0.803	S	S	*	*			trans	-154.8	108.7	157.2	0	0	0	0	0	110
24	M	37.6	Very low	38.8	Very low	192 Å²	192	129.8 Å²	129.8	95%	0.946	80%	0.797	S	S	*	*			trans	-69.3	132.7	177.6	-75	-93.4	-168.9	0	0	111.1
25	R	43.1	Very low	39.3	Very low	242 Å²	242	135 Å²	135	91%	0.913	80%	0.801	S	S	*	*			trans	-145.7	112.6	152.5	-145.8	174.2	-167	-92.4	2	108.9	G27	R25-G27 PolarHBondContact O-N 3.44Å
26	E	39.8	Very low	39.6	Very low	191 Å²	191	139 Å²	139	89%	0.893	80%	0.804	S	S	*	*			trans	-62.1	119.5	171.4	-75.9	171.6	142.2	0	0	109.4
27	G	37.4	Very low	40.2	Very low	65 Å²	65	138 Å²	138	67%	0.67	80%	0.8	S	S	*	*			trans	-139.9	100.6	167.8	0	0	0	0	0	107	R25 A29	R25-G27 PolarHBondContact O-N 3.44Å; G27-A29 PolarHBondContact O-N 2.98Å
28	T	47.6	Very low	41	Very low	155 Å²	155	141.9 Å²	141.9	95%	0.951	80%	0.803	S	S	*	*			trans	-65.8	78.7	170.6	35.5	0	0	0	0	109.5
29	A	40.6	Very low	42.2	Very low	83 Å²	83	142.4 Å²	142.4	69%	0.686	81%	0.805	S	S	*	*			trans	-90	106.8	166.2	0	0	0	0	0	107.9	G27 I31	G27-A29 PolarHBondContact O-N 2.98Å; A29-I31 PolarHBondContact O-N 3.37Å
30	A	43.9	Very low	43.7	Very low	102 Å²	102	139.6 Å²	139.6	84%	0.843	80%	0.802	S	S	*	*			trans	-55.6	110.9	169.5	0	0	0	0	0	108.7	A32	A30-A32 PolarHBondContact O-N 3.08Å
31	I	40	Very low	45.4	Very low	159 Å²	159	145.2 Å²	145.2	82%	0.815	81%	0.811	S	S	*	*			trans	-67.3	102.1	173	-59.3	169.6	0	0	0	105.8	A29	A29-I31 PolarHBondContact O-N 3.37Å
32	A	49.3	Very low	47.1	Very low	74 Å²	74	148.5 Å²	148.5	61%	0.612	81%	0.809	S	S	*	*			trans	-52.4	130	166.8	0	0	0	0	0	107.6	A30 C34	A30-A32 PolarHBondContact O-N 3.08Å; A32-C34 PolarHBondContact O-N 2.86Å
33	P	41.2	Very low	49.6	Very low	116 Å²	116	140.1 Å²	140.1	75%	0.753	78%	0.783	S	S	*	*			trans	-65.7	102.6	179.8	24.7	-29	0	0	0	107.2	F35	P33-F35 PolarHBondContact O-N 3.39Å
34	C	41	Very low	52.3	Low	102 Å²	102	139.6 Å²	139.6	69%	0.689	77%	0.765	S	S	*	*			trans	-49.3	118.8	166.3	-59.1	0	0	0	0	106	A32 Q36	A32-C34 PolarHBondContact O-N 2.86Å; C34-Q36 PolarHBondContact O-N 3.27Å
35	F	42.2	Very low	54.9	Low	209 Å²	209	134.7 Å²	134.7	92%	0.917	75%	0.746	S	S	*	*			trans	-55.2	94.7	170.4	-82.7	-91	0	0	0	107.1	P33 S37	P33-F35 PolarHBondContact O-N 3.39Å; F35-S37 PolarHBondContact O-N 3.47Å
36	Q	44.1	Very low	57.3	Low	175 Å²	175	128.9 Å²	128.9	82%	0.818	73%	0.727	S	S	*	*			trans	-70.9	85.3	172.9	-69.2	-176.4	1.1	0	0	105.7	C34 K38	C34-Q36 PolarHBondContact O-N 3.27Å; Q36-K38 PolarHBondContact O-N 2.93Å
37	S	52	Low	59.9	Low	109 Å²	109	120.1 Å²	120.1	76%	0.762	69%	0.687	S	S	*	*			trans	-60.3	101.3	157.4	56.6	0	0	0	0	105.3	F35 P39	F35-S37 PolarHBondContact O-N 3.47Å; S37-P39 VanDerWaalsContact O-N 3.17Å
38	K	48.8	Very low	62.6	Low	188 Å²	188	122.9 Å²	122.9	82%	0.817	69%	0.686	S	S	*	*			trans	-45.8	126.5	171.8	-71.3	177.4	179.3	175.8	0	106.8	Q36	Q36-K38 PolarHBondContact O-N 2.93Å
39	P	58.7	Low	64.9	Low	113 Å²	113	123.8 Å²	123.8	73%	0.734	67%	0.672	S	S	*	*			trans	-53.1	136.2	175.9	21.6	-31.1	0	0	0	107.7	S37 K41	S37-P39 VanDerWaalsContact O-N 3.17Å; P39-K41 PolarHBondContact O-N 2.98Å; P39-K41 VanDerWaalsContact O-N 3.1Å
40	P	63	Low	67.5	Low	125 Å²	125	120.8 Å²	120.8	81%	0.812	65%	0.647	S	S	*	*			trans	-51.7	125.9	-178.3	19.6	-30.6	0	0	0	108.2	W42	P40-W42 PolarHBondContact O-N 2.77Å
41	K	70.7	Confident	70.1	Confident	203 Å²	203	117.6 Å²	117.6	88%	0.883	62%	0.615	S	S	*	*			trans	-61.9	109.8	-176.9	-170.1	179.3	-179.7	-175.8	0	107.6	P39 D43	P39-K41 PolarHBondContact O-N 2.98Å; P39-K41 VanDerWaalsContact O-N 3.1Å; K41-D43 PolarHBondContact O-N 3.35Å
42	W	79.5	Confident	72.8	Confident	181 Å²	181	113 Å²	113	69%	0.686	60%	0.601	S	S	*	*			trans	-57.2	124.9	175.7	176.6	-80.4	0	0	0	109.2	P40	P40-W42 PolarHBondContact O-N 2.77Å
43	D	88	Confident	75	Confident	78 Å²	78	111.9 Å²	111.9	42%	0.417	59%	0.589	S	S	.	*			trans	-116	97.4	175.5	-179.6	-6.4	0	0	0	109	K41 T45 K46 D47	K41-D43 PolarHBondContact O-N 3.35Å; D43-T45 PolarHBondContact O-N 2.88Å; D43-T45 WeakPolarHBondContact OD1-CB 3.3Å; D43-T45 PolarHBondContact OD1-N 3.23Å; D43-K46 HydrophobicContact CB-CB 4Å; D43-K46 PolarHBondContact O-N 3.18Å; D43-K46 PolarHBondContact OD1-N 2.81Å; D43-D47 PolarHBondContact O-N 2.99Å; D43-D47 VanDerWaalsContact O-N 3.14Å
44	P	90.1	Very high	77.7	Confident	69 Å²	69	106.4 Å²	106.4	45%	0.448	55%	0.553	S	S	.	*	H	α-helix	trans	-59.8	-32.7	-177.4	-16.4	26	0	0	0	112.9	D47 L48	P44-D47 PolarHBondContact O-N 3.46Å; P44-L48 WeakPolarHBondContact O-CB 3.13Å; P44-L48 VanDerWaalsContact O-CG 3.22Å; P44-L48 WeakPolarHBondContact O-CG 3.2Å; P44-L48 PolarHBondContact O-N 3.26Å
45	T	92.7	Very high	80.4	Confident	90 Å²	90	103.9 Å²	103.9	55%	0.552	53%	0.53	S	S	*	.	H	α-helix	trans	-70.1	-42.1	-175.8	-53.4	0	0	0	0	110.6	D43 D47 R49	D43-T45 PolarHBondContact O-N 2.88Å; D43-T45 WeakPolarHBondContact OD1-CB 3.3Å; D43-T45 PolarHBondContact OD1-N 3.23Å; T45-D47 VanDerWaalsContact C-N 3.35Å; T45-R49 WeakPolarHBondContact O-CB 3.41Å; T45-R49 PolarHBondContact O-N 3.43Å; T45-R49 VanDerWaalsContact O-N 3.11Å
46	K	92.4	Very high	83	Confident	119 Å²	119	96.8 Å²	96.8	52%	0.517	51%	0.506	S	S	.	.	H	α-helix	trans	-63.7	-43.5	175.9	-173.8	-175.6	178.1	-170.5	0	111	D43 R49 A50 A117	D43-K46 HydrophobicContact CB-CB 4Å; D43-K46 PolarHBondContact O-N 3.18Å; D43-K46 PolarHBondContact OD1-N 2.81Å; K46-R49 PolarHBondContact O-N 3.47Å; K46-A50 WeakPolarHBondContact O-CB 3.4Å; K46-A50 PolarHBondContact O-N 2.91Å; K46-A117 HydrophobicContact CD-CB 4.22Å; K46-A117 HydrophobicContact CG-CB 4.05Å
47	D	94.1	Very high	85.6	Confident	8 Å²	8	90.9 Å²	90.9	4%	0.043	48%	0.477	C	S	.	.	H	α-helix	trans	-65.5	-47.6	-179.3	-73.8	-26.5	0	0	0	111.7	D43 P44 T45 R49 A50 I51 Y114 A117	D43-D47 PolarHBondContact O-N 2.99Å; D43-D47 VanDerWaalsContact O-N 3.14Å; P44-D47 PolarHBondContact O-N 3.46Å; T45-D47 VanDerWaalsContact C-N 3.35Å; D47-R49 VanDerWaalsContact C-N 3.3Å; D47-R49 PolarHBondContact O-N 3.33Å; D47-A50 PolarHBondContact O-N 3.39Å; D47-A50 VanDerWaalsContact O-N 3.15Å; D47-I51 VanDerWaalsContact O-CG1 3.29Å; D47-I51 WeakPolarHBondContact O-CG1 3.46Å; D47-I51 PolarHBondContact O-N 2.78Å; D47-Y114 WeakPolarHBondContact CA-OH 3.32Å; D47-Y114 HydrophobicContact CB-CE1 4.29Å; D47-Y114 VanDerWaalsContact CB-OH 3.27Å; D47-Y114 WeakPolarHBondContact CB-OH 3.26Å; D47-Y114 PolarHBondContact O-OH 2.83Å; D47-Y114 VanDerWaalsContact O-OH 3.06Å; D47-Y114 PolarHBondContact OD1-OH 2.9Å; D47-A117 WeakPolarHBondContact OD1-CA 3.39Å; D47-A117 PolarHBondContact OD1-N 2.88Å
48	L	95.1	Very high	87.7	Confident	123 Å²	123	85.7 Å²	85.7	64%	0.644	44%	0.44	S	S	*	.	H	α-helix	trans	-56.8	-43.4	176.2	-73.2	173.7	0	0	0	112.1	P44 I51 A52	P44-L48 WeakPolarHBondContact O-CB 3.13Å; P44-L48 VanDerWaalsContact O-CG 3.22Å; P44-L48 WeakPolarHBondContact O-CG 3.2Å; P44-L48 PolarHBondContact O-N 3.26Å; L48-I51 PolarHBondContact O-N 3.01Å; L48-A52 VanDerWaalsContact O-CB 3.26Å; L48-A52 WeakPolarHBondContact O-CB 3.38Å; L48-A52 PolarHBondContact O-N 3.42Å
49	R	95.8	Very high	89.8	Confident	174 Å²	174	83 Å²	83	66%	0.657	43%	0.43	S	S	*	.	H	α-helix	trans	-62.9	-46.9	176.4	-173.2	-176.5	-60.6	174.4	1.7	111.6	T45 K46 D47 I51 A52 S53	T45-R49 WeakPolarHBondContact O-CB 3.41Å; T45-R49 PolarHBondContact O-N 3.43Å; T45-R49 VanDerWaalsContact O-N 3.11Å; K46-R49 PolarHBondContact O-N 3.47Å; D47-R49 VanDerWaalsContact C-N 3.3Å; D47-R49 PolarHBondContact O-N 3.33Å; R49-I51 VanDerWaalsContact C-N 3.34Å; R49-I51 PolarHBondContact O-N 2.87Å; R49-A52 PolarHBondContact O-N 3.43Å; R49-S53 WeakPolarHBondContact O-CB 3.38Å; R49-S53 PolarHBondContact O-N 2.93Å; R49-S53 PolarHBondContact O-OG 3.43Å
50	A	95.6	Very high	91.5	Very high	20 Å²	20	80.8 Å²	80.8	17%	0.165	41%	0.413	C	S	.	.	H	α-helix	trans	-62	-42.6	-180	0	0	0	0	0	111.7	K46 D47 N54 A117	K46-A50 WeakPolarHBondContact O-CB 3.4Å; K46-A50 PolarHBondContact O-N 2.91Å; D47-A50 PolarHBondContact O-N 3.39Å; D47-A50 VanDerWaalsContact O-N 3.15Å; A50-N54 WeakPolarHBondContact O-CB 3.29Å; A50-N54 PolarHBondContact O-N 2.92Å; A50-A117 HydrophobicContact CB-CB 3.84Å
51	I	96.8	Very high	93	Very high	34 Å²	34	74.8 Å²	74.8	17%	0.174	37%	0.374	C	S	.	.	H	α-helix	trans	-63.6	-50.9	176.3	-67.5	163.6	0	0	0	110.2	D47 L48 R49 S53 N54 F55 M96 Y114	D47-I51 VanDerWaalsContact O-CG1 3.29Å; D47-I51 WeakPolarHBondContact O-CG1 3.46Å; D47-I51 PolarHBondContact O-N 2.78Å; L48-I51 PolarHBondContact O-N 3.01Å; R49-I51 VanDerWaalsContact C-N 3.34Å; R49-I51 PolarHBondContact O-N 2.87Å; I51-S53 PolarHBondContact O-N 3.17Å; I51-N54 WeakPolarHBondContact O-CB 3.47Å; I51-N54 PolarHBondContact O-N 3.06Å; I51-F55 HydrophobicContact CG2-CD2 3.72Å; I51-F55 HydrophobicContact CG2-CE2 3.75Å; I51-F55 WeakPolarHBondContact O-CD2 3.39Å; I51-F55 PolarHBondContact O-N 3.4Å; I51-M96 HydrophobicContact CD1-CE 4.02Å; I51-M96 HydrophobicContact CD1-SD 4.43Å; I51-Y114 HydrophobicContact CD1-CD1 4.47Å; I51-Y114 HydrophobicContact CD1-CE1 3.81Å; I51-Y114 HydrophobicContact CG1-CE1 4.07Å; I51-Y114 HydrophobicContact CG1-CE2 3.92Å
52	A	97.3	Very high	94.1	Very high	62 Å²	62	65.4 Å²	65.4	51%	0.512	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-47.9	-178.7	0	0	0	0	0	112.2	L48 R49 N54 F55 C56	L48-A52 VanDerWaalsContact O-CB 3.26Å; L48-A52 WeakPolarHBondContact O-CB 3.38Å; L48-A52 PolarHBondContact O-N 3.42Å; R49-A52 PolarHBondContact O-N 3.43Å; A52-N54 VanDerWaalsContact C-N 3.31Å; A52-N54 PolarHBondContact O-N 3.26Å; A52-F55 PolarHBondContact O-N 3.33Å; A52-C56 PolarHBondContact O-N 3.2Å
53	S	96.8	Very high	94.9	Very high	52 Å²	52	56.8 Å²	56.8	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-41.5	175.5	-64.3	0	0	0	0	111.7	R49 I51 F55 C56 Y57	R49-S53 WeakPolarHBondContact O-CB 3.38Å; R49-S53 PolarHBondContact O-N 2.93Å; R49-S53 PolarHBondContact O-OG 3.43Å; I51-S53 PolarHBondContact O-N 3.17Å; S53-F55 PolarHBondContact O-N 3.49Å; S53-C56 WeakPolarHBondContact O-CB 3.36Å; S53-C56 PolarHBondContact O-N 3.09Å; S53-Y57 WeakPolarHBondContact O-CD2 3.39Å; S53-Y57 VanDerWaalsContact O-CG 3.32Å; S53-Y57 PolarHBondContact O-N 3.17Å; S53-Y57 VanDerWaalsContact O-N 3.09Å
54	N	97.8	Very high	95.4	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-59.1	-48.1	176.3	178.1	77	0	0	0	111.9	A50 I51 A52 C56 Y57 L58 F119 N136 V137	A50-N54 WeakPolarHBondContact O-CB 3.29Å; A50-N54 PolarHBondContact O-N 2.92Å; I51-N54 WeakPolarHBondContact O-CB 3.47Å; I51-N54 PolarHBondContact O-N 3.06Å; A52-N54 VanDerWaalsContact C-N 3.31Å; A52-N54 PolarHBondContact O-N 3.26Å; N54-C56 PolarHBondContact O-N 2.92Å; N54-Y57 WeakPolarHBondContact O-CB 3.24Å; N54-Y57 PolarHBondContact O-N 3.46Å; N54-Y57 VanDerWaalsContact O-N 3.16Å; N54-L58 WeakPolarHBondContact ND2-CD1 3.22Å; N54-L58 WeakPolarHBondContact O-CG 3.43Å; N54-L58 PolarHBondContact O-N 3.44Å; N54-F119 HydrophobicContact CB-CE2 3.91Å; N54-F119 HydrophobicContact CB-CZ 3.72Å; N54-N136 HydrophobicContact CB-CB 4.45Å; N54-V137 WeakPolarHBondContact OD1-CB 3.4Å; N54-V137 WeakPolarHBondContact OD1-CG2 3.42Å; N54-V137 PolarHBondContact OD1-N 3.39Å
55	F	97.6	Very high	95.7	Very high	48 Å²	48	52.9 Å²	52.9	21%	0.211	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-37.6	178.7	-83.6	-77.4	0	0	0	112.9	I51 A52 S53 Y57 L58 E59 L97	I51-F55 HydrophobicContact CG2-CD2 3.72Å; I51-F55 HydrophobicContact CG2-CE2 3.75Å; I51-F55 WeakPolarHBondContact O-CD2 3.39Å; I51-F55 PolarHBondContact O-N 3.4Å; A52-F55 PolarHBondContact O-N 3.33Å; S53-F55 PolarHBondContact O-N 3.49Å; F55-Y57 VanDerWaalsContact C-N 3.27Å; F55-Y57 PolarHBondContact O-N 2.97Å; F55-L58 HydrophobicContact CD1-CD1 4.18Å; F55-L58 HydrophobicContact CE1-CD1 4.34Å; F55-L58 PolarHBondContact O-N 2.9Å; F55-L58 VanDerWaalsContact O-N 3.08Å; F55-E59 WeakPolarHBondContact O-CG 3.46Å; F55-E59 PolarHBondContact O-N 2.86Å; F55-L97 HydrophobicContact CE1-CD2 4.02Å; F55-L97 HydrophobicContact CZ-CD1 4.48Å; F55-L97 HydrophobicContact CZ-CD2 4.11Å; F55-L97 HydrophobicContact CZ-CG 4.37Å
56	C	96.7	Very high	95.9	Very high	60 Å²	60	49.2 Å²	49.2	41%	0.405	25%	0.252	S	S	.	.	H	α-helix	trans	-57	-41.9	171.8	-179.8	0	0	0	0	111.7	A52 S53 N54 N60	A52-C56 PolarHBondContact O-N 3.2Å; S53-C56 WeakPolarHBondContact O-CB 3.36Å; S53-C56 PolarHBondContact O-N 3.09Å; N54-C56 PolarHBondContact O-N 2.92Å; C56-N60 PolarHBondContact O-N 3.34Å; C56-N60 PolarHBondContact O-ND2 3.07Å
57	Y	97.3	Very high	96	Very high	52 Å²	52	47.8 Å²	47.8	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-66.1	-44.5	173.6	-56.7	-45.3	0	0	0	112	S53 N54 F55 E59 N60 S61 N136 D222 Y223 F225	S53-Y57 WeakPolarHBondContact O-CD2 3.39Å; S53-Y57 VanDerWaalsContact O-CG 3.32Å; S53-Y57 PolarHBondContact O-N 3.17Å; S53-Y57 VanDerWaalsContact O-N 3.09Å; N54-Y57 WeakPolarHBondContact O-CB 3.24Å; N54-Y57 PolarHBondContact O-N 3.46Å; N54-Y57 VanDerWaalsContact O-N 3.16Å; F55-Y57 VanDerWaalsContact C-N 3.27Å; F55-Y57 PolarHBondContact O-N 2.97Å; Y57-E59 VanDerWaalsContact C-N 3.34Å; Y57-E59 PolarHBondContact O-N 3.28Å; Y57-N60 CarbonylContact O-C 3.57Å; Y57-N60 PolarHBondContact O-N 3.28Å; Y57-N60 VanDerWaalsContact O-N 3.13Å; Y57-S61 PolarHBondContact O-N 3.21Å; Y57-N136 HydrophobicContact CD2-CB 4.28Å; Y57-D222 WeakPolarHBondContact CD1-O 3.26Å; Y57-D222 VanDerWaalsContact CE1-O 3.26Å; Y57-D222 WeakPolarHBondContact CE1-O 3.4Å; Y57-Y223 HydrophobicContact CD1-CD2 4.23Å; Y57-Y223 VanDerWaalsContact O-CE2 3.24Å; Y57-Y223 WeakPolarHBondContact O-CE2 3.37Å; Y57-F225 AromaticContact CD1-CE2 3.64Å; Y57-F225 HydrophobicContact CD1-CE2 3.64Å; Y57-F225 HydrophobicContact CD1-CZ 4.35Å; Y57-F225 AromaticContact CD2-CE2 3.71Å; Y57-F225 HydrophobicContact CD2-CE2 3.71Å; Y57-F225 AromaticContact CD2-CZ 3.75Å; Y57-F225 HydrophobicContact CD2-CZ 3.75Å; Y57-F225 HydrophobicContact CE1-CE2 4.01Å; Y57-F225 HydrophobicContact CE1-CZ 4.4Å; Y57-F225 HydrophobicContact CE2-CE2 4.09Å; Y57-F225 AromaticContact CE2-CZ 3.84Å; Y57-F225 HydrophobicContact CE2-CZ 3.84Å; Y57-F225 AromaticContact CG-CE2 3.48Å; Y57-F225 HydrophobicContact CG-CE2 3.48Å; Y57-F225 VanDerWaalsContact CG-CE2 3.48Å; Y57-F225 HydrophobicContact CG-CZ 4.04Å
58	L	96.5	Very high	96.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-43.4	-180	-68.1	-178	0	0	0	112.3	N54 F55 N60 S61 W63 Y64 L87 L97 V137 P138	N54-L58 WeakPolarHBondContact ND2-CD1 3.22Å; N54-L58 WeakPolarHBondContact O-CG 3.43Å; N54-L58 PolarHBondContact O-N 3.44Å; F55-L58 HydrophobicContact CD1-CD1 4.18Å; F55-L58 HydrophobicContact CE1-CD1 4.34Å; F55-L58 PolarHBondContact O-N 2.9Å; F55-L58 VanDerWaalsContact O-N 3.08Å; L58-N60 VanDerWaalsContact C-N 3.27Å; L58-N60 PolarHBondContact O-N 2.74Å; L58-S61 WeakPolarHBondContact O-CB 3.13Å; L58-S61 PolarHBondContact O-N 3.41Å; L58-S61 VanDerWaalsContact O-N 3.1Å; L58-S61 PolarHBondContact O-OG 3.18Å; L58-W63 HydrophobicContact CD2-CH2 3.86Å; L58-W63 HydrophobicContact CD2-CZ3 3.92Å; L58-Y64 HydrophobicContact CB-CD1 3.91Å; L58-Y64 HydrophobicContact CB-CD2 4.42Å; L58-Y64 HydrophobicContact CB-CE1 4.5Å; L58-Y64 HydrophobicContact CB-CG 3.85Å; L58-Y64 HydrophobicContact CD1-CD2 4.33Å; L58-Y64 HydrophobicContact CD1-CE2 4.49Å; L58-Y64 WeakPolarHBondContact O-CB 3.29Å; L58-L87 HydrophobicContact CD1-CD2 3.56Å; L58-L87 HydrophobicContact CD2-CD2 3.34Å; L58-L87 HydrophobicContact CG-CD2 4.05Å; L58-L97 HydrophobicContact CD1-CD1 3.7Å; L58-L97 HydrophobicContact CD1-CD2 4Å; L58-V137 HydrophobicContact CD2-CB 4.19Å; L58-V137 HydrophobicContact CD2-CG1 4.22Å; L58-P138 HydrophobicContact CD2-CG 4.44Å
59	E	94.3	Very high	96.3	Very high	130 Å²	130	46 Å²	46	61%	0.607	26%	0.257	S	S	*	.	H	α-helix	trans	-59.8	-39	175.6	-72.2	173.4	179.8	0	0	112	F55 Y57 S61	F55-E59 WeakPolarHBondContact O-CG 3.46Å; F55-E59 PolarHBondContact O-N 2.86Å; Y57-E59 VanDerWaalsContact C-N 3.34Å; Y57-E59 PolarHBondContact O-N 3.28Å; E59-S61 VanDerWaalsContact C-N 3.3Å; E59-S61 PolarHBondContact O-N 3.03Å
60	N	93.5	Very high	96.3	Very high	67 Å²	67	39.4 Å²	39.4	36%	0.358	24%	0.239	S	C	.	.	H	α-helix	trans	-76.6	-13	177.5	-79.8	-60.4	0	0	0	114.4	C56 Y57 L58 H194 Y223	C56-N60 PolarHBondContact O-N 3.34Å; C56-N60 PolarHBondContact O-ND2 3.07Å; Y57-N60 CarbonylContact O-C 3.57Å; Y57-N60 PolarHBondContact O-N 3.28Å; Y57-N60 VanDerWaalsContact O-N 3.13Å; L58-N60 VanDerWaalsContact C-N 3.27Å; L58-N60 PolarHBondContact O-N 2.74Å; N60-H194 PolarHBondContact O-CE1 2.85Å; N60-H194 PolarHBondContact O-ND1 3.21Å; N60-H194 VanDerWaalsContact O-ND1 3.16Å; N60-Y223 HydrophobicContact CB-CD2 3.94Å; N60-Y223 HydrophobicContact CB-CE2 4.39Å
61	S	94.9	Very high	96.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-78.5	-25.9	-171.3	76.4	0	0	0	0	114.2	Y57 L58 E59 W63 Y64 Y223	Y57-S61 PolarHBondContact O-N 3.21Å; L58-S61 WeakPolarHBondContact O-CB 3.13Å; L58-S61 PolarHBondContact O-N 3.41Å; L58-S61 VanDerWaalsContact O-N 3.1Å; L58-S61 PolarHBondContact O-OG 3.18Å; E59-S61 VanDerWaalsContact C-N 3.3Å; E59-S61 PolarHBondContact O-N 3.03Å; S61-W63 VanDerWaalsContact CB-CE2 3.41Å; S61-W63 PolarHBondContact O-N 3.4Å; S61-W63 VanDerWaalsContact O-N 3.07Å; S61-W63 PolarHBondContact OG-N 3.24Å; S61-Y64 PolarHBondContact OG-N 3.11Å; S61-Y223 WeakPolarHBondContact CB-OH 3.27Å
62	G	94.4	Very high	96.5	Very high	5 Å²	5	45.3 Å²	45.3	5%	0.052	27%	0.274	C	S	.	.	S	Bend	trans	72	-15.6	-173.8	0	0	0	0	0	115.5	Y184 K185	G62-Y184 WeakPolarHBondContact O-CA 3.46Å; G62-K185 PolarHBondContact O-N 2.74Å
63	W	95.9	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.25	C	C	.	.			trans	-103.5	4	178.5	50.9	-103.8	0	0	0	113.9	L58 S61 F85 L87 V137 P138 V141 A182 Y184 V227	L58-W63 HydrophobicContact CD2-CH2 3.86Å; L58-W63 HydrophobicContact CD2-CZ3 3.92Å; S61-W63 VanDerWaalsContact CB-CE2 3.41Å; S61-W63 PolarHBondContact O-N 3.4Å; S61-W63 VanDerWaalsContact O-N 3.07Å; S61-W63 PolarHBondContact OG-N 3.24Å; W63-F85 HydrophobicContact CD2-CE2 4.29Å; W63-F85 HydrophobicContact CE3-CE2 4.17Å; W63-L87 HydrophobicContact CE3-CB 3.84Å; W63-L87 HydrophobicContact CZ3-CB 3.76Å; W63-L87 HydrophobicContact CZ3-CD2 4.03Å; W63-L87 HydrophobicContact CZ3-CG 4.44Å; W63-L87 PolarHBondContact O-N 3.31Å; W63-V137 HydrophobicContact CH2-CG1 4.49Å; W63-P138 HydrophobicContact CH2-CB 4.5Å; W63-P138 HydrophobicContact CH2-CG 4.23Å; W63-P138 HydrophobicContact CZ2-CB 4.33Å; W63-P138 HydrophobicContact CZ2-CG 4.31Å; W63-V141 HydrophobicContact CH2-CG2 4.14Å; W63-V141 HydrophobicContact CZ3-CG2 4.33Å; W63-A182 HydrophobicContact CB-CB 3.65Å; W63-A182 HydrophobicContact CG-CB 3.65Å; W63-Y184 HydrophobicContact CB-CD1 4.22Å; W63-Y184 HydrophobicContact CB-CE1 4.45Å; W63-Y184 AromaticContact CD1-CE1 3.97Å; W63-V227 HydrophobicContact CZ2-CG1 4.1Å; W63-V227 PolarHBondContact NE1-O 3Å; W63-V227 PolarHBondContact NE1-OXT 3.32Å; W63-V227 VanDerWaalsContact NE1-OXT 3.1Å
64	Y	97.4	Very high	96.5	Very high	37 Å²	37	42.7 Å²	42.7	15%	0.145	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-87.4	117.9	162.6	172.9	-120.1	0	0	0	110.2	L58 S61 L87 D89 L97	L58-Y64 HydrophobicContact CB-CD1 3.91Å; L58-Y64 HydrophobicContact CB-CD2 4.42Å; L58-Y64 HydrophobicContact CB-CE1 4.5Å; L58-Y64 HydrophobicContact CB-CG 3.85Å; L58-Y64 HydrophobicContact CD1-CD2 4.33Å; L58-Y64 HydrophobicContact CD1-CE2 4.49Å; L58-Y64 WeakPolarHBondContact O-CB 3.29Å; S61-Y64 PolarHBondContact OG-N 3.11Å; Y64-L87 CarbonylContact C-O 3.54Å; Y64-L87 WeakPolarHBondContact CA-O 3.31Å; Y64-L87 HydrophobicContact CD2-CB 4.34Å; Y64-L87 HydrophobicContact CD2-CD2 4.06Å; Y64-L87 HydrophobicContact CD2-CG 4.29Å; Y64-D89 PolarHBondContact OH-OD1 3.15Å; Y64-L97 HydrophobicContact CE2-CD2 3.89Å
65	W	97.3	Very high	96.5	Very high	29 Å²	29	45.9 Å²	45.9	11%	0.11	27%	0.272	C	S	.	.			trans	-93.4	-9.6	-174.2	-73.5	47.9	0	0	0	113.1	I68 A76 L86 L87 V183 Y184 K185 P186	W65-I68 HydrophobicContact CB-CD1 3.64Å; W65-I68 HydrophobicContact CB-CG1 3.96Å; W65-I68 HydrophobicContact CB-CG2 4.23Å; W65-I68 HydrophobicContact CD2-CD1 4.08Å; W65-I68 HydrophobicContact CE3-CD1 3.72Å; W65-I68 HydrophobicContact CE3-CG2 4.5Å; W65-I68 HydrophobicContact CG-CD1 4.11Å; W65-A76 HydrophobicContact CH2-CB 3.68Å; W65-A76 HydrophobicContact CZ2-CB 4.5Å; W65-A76 HydrophobicContact CZ3-CB 3.92Å; W65-L86 HydrophobicContact CB-CD1 4.47Å; W65-L86 HydrophobicContact CD2-CD2 4.03Å; W65-L86 HydrophobicContact CE3-CD2 4.47Å; W65-L86 HydrophobicContact CG-CB 4.37Å; W65-L86 HydrophobicContact CG-CD1 4.19Å; W65-L86 HydrophobicContact CG-CD2 4.44Å; W65-L86 HydrophobicContact CH2-CD2 4.42Å; W65-L86 HydrophobicContact CZ2-CD2 4.01Å; W65-L87 PolarHBondContact N-O 3.47Å; W65-V183 HydrophobicContact CZ2-CB 4.5Å; W65-V183 HydrophobicContact CZ2-CG1 3.82Å; W65-V183 PolarHBondContact NE1-O 2.8Å; W65-Y184 WeakPolarHBondContact CZ2-O 3.43Å; W65-K185 HydrophobicContact CD2-CB 4.38Å; W65-K185 HydrophobicContact CD2-CG 4.5Å; W65-K185 HydrophobicContact CG-CB 4.41Å; W65-K185 PolarHBondContact O-NZ 2.85Å; W65-P186 HydrophobicContact CH2-CG 4.25Å
66	G	96	Very high	96.4	Very high	12 Å²	12	45.3 Å²	45.3	12%	0.124	28%	0.276	C	S	.	.			trans	71.3	-141	-177.2	0	0	0	0	0	112.8	I68 R88 D89	G66-I68 PolarHBondContact O-N 2.78Å; G66-R88 WeakPolarHBondContact O-CA 3.33Å; G66-R88 WeakPolarHBondContact O-CB 3.17Å; G66-D89 VanDerWaalsContact C-OD2 3.22Å; G66-D89 PolarHBondContact O-N 3.25Å
67	A	95.8	Very high	96.5	Very high	90 Å²	90	42.5 Å²	42.5	74%	0.744	26%	0.257	S	S	*	.	S	Bend	trans	-77	54.1	-173.1	0	0	0	0	0	113.9	D89	A67-D89 VanDerWaalsContact CA-OD2 3.27Å; A67-D89 WeakPolarHBondContact CA-OD2 3.49Å; A67-D89 WeakPolarHBondContact CB-OD2 3.46Å; A67-D89 PolarHBondContact N-OD2 2.93Å
68	I	96.9	Very high	96.4	Very high	26 Å²	26	44.5 Å²	44.5	13%	0.133	27%	0.269	C	S	.	.			trans	-90.6	150.8	169.6	65.4	163.7	0	0	0	111	W65 G66 Q72 A73 L86 R88	W65-I68 HydrophobicContact CB-CD1 3.64Å; W65-I68 HydrophobicContact CB-CG1 3.96Å; W65-I68 HydrophobicContact CB-CG2 4.23Å; W65-I68 HydrophobicContact CD2-CD1 4.08Å; W65-I68 HydrophobicContact CE3-CD1 3.72Å; W65-I68 HydrophobicContact CE3-CG2 4.5Å; W65-I68 HydrophobicContact CG-CD1 4.11Å; G66-I68 PolarHBondContact O-N 2.78Å; I68-Q72 HydrophobicContact CB-CB 4.36Å; I68-A73 HydrophobicContact CD1-CB 3.75Å; I68-L86 HydrophobicContact CD1-CD1 3.9Å; I68-R88 HydrophobicContact CD1-CB 4.18Å; I68-R88 HydrophobicContact CG1-CB 3.61Å; I68-R88 HydrophobicContact CG1-CG 4.36Å
69	T	97.4	Very high	96.2	Very high	68 Å²	68	52 Å²	52	42%	0.417	31%	0.308	S	S	.	.			trans	-72.4	160.1	175.6	64.5	0	0	0	0	111.9	A71 Q72 A73	T69-A71 PolarHBondContact O-N 2.78Å; T69-Q72 PolarHBondContact O-N 3.17Å; T69-Q72 WeakPolarHBondContact OG1-CB 3.38Å; T69-Q72 VanDerWaalsContact OG1-CG 3.29Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.13Å; T69-Q72 PolarHBondContact OG1-N 3.38Å; T69-Q72 PolarHBondContact OG1-OE1 2.89Å; T69-A73 PolarHBondContact O-N 2.76Å
70	A	96.7	Very high	96.2	Very high	34 Å²	34	46.7 Å²	46.7	28%	0.281	29%	0.287	S	S	.	.	H	α-helix	trans	-56.4	-40.6	171.8	0	0	0	0	0	112.1	A73 H74 R88	A70-A73 PolarHBondContact O-N 2.94Å; A70-H74 WeakPolarHBondContact O-CB 3.24Å; A70-H74 PolarHBondContact O-CD2 3.18Å; A70-H74 VanDerWaalsContact O-CD2 3.25Å; A70-H74 VanDerWaalsContact O-CG 3.25Å; A70-H74 PolarHBondContact O-N 3Å; A70-R88 VanDerWaalsContact CB-NH2 3.34Å
71	A	97.8	Very high	96.3	Very high	71 Å²	71	46.5 Å²	46.5	59%	0.587	29%	0.29	S	S	*	.	H	α-helix	trans	-63.4	-44.7	179.2	0	0	0	0	0	112.1	T69 A73 H74 A75	T69-A71 PolarHBondContact O-N 2.78Å; A71-A73 PolarHBondContact O-N 3.01Å; A71-H74 PolarHBondContact O-N 2.83Å; A71-A75 WeakPolarHBondContact O-CB 3.19Å; A71-A75 PolarHBondContact O-N 3.19Å
72	Q	97.4	Very high	96.3	Very high	107 Å²	107	50.3 Å²	50.3	50%	0.5	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-41.7	175.8	-74.2	165.4	-46.4	0	0	112	I68 T69 A75 A76	I68-Q72 HydrophobicContact CB-CB 4.36Å; T69-Q72 PolarHBondContact O-N 3.17Å; T69-Q72 WeakPolarHBondContact OG1-CB 3.38Å; T69-Q72 VanDerWaalsContact OG1-CG 3.29Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.13Å; T69-Q72 PolarHBondContact OG1-N 3.38Å; T69-Q72 PolarHBondContact OG1-OE1 2.89Å; Q72-A75 PolarHBondContact O-N 2.98Å; Q72-A76 WeakPolarHBondContact O-CB 3.22Å; Q72-A76 PolarHBondContact O-N 3.38Å
73	A	97.9	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-41.7	176	0	0	0	0	0	112.4	I68 T69 A70 A71 A76 L77 L86	I68-A73 HydrophobicContact CD1-CB 3.75Å; T69-A73 PolarHBondContact O-N 2.76Å; A70-A73 PolarHBondContact O-N 2.94Å; A71-A73 PolarHBondContact O-N 3.01Å; A73-A76 PolarHBondContact O-N 2.54Å; A73-L77 WeakPolarHBondContact O-CG 3.47Å; A73-L77 PolarHBondContact O-N 2.94Å; A73-L86 HydrophobicContact CB-CD1 3.97Å
74	H	97.8	Very high	96.2	Very high	60 Å²	60	50.1 Å²	50.1	28%	0.278	31%	0.305	S	S	.	.	H	α-helix	trans	-67	-43.3	177.9	-70.4	-171.3	0	0	0	111.2	A70 A71 A76 L77 Q78 P107 S109	A70-H74 WeakPolarHBondContact O-CB 3.24Å; A70-H74 PolarHBondContact O-CD2 3.18Å; A70-H74 VanDerWaalsContact O-CD2 3.25Å; A70-H74 VanDerWaalsContact O-CG 3.25Å; A70-H74 PolarHBondContact O-N 3Å; A71-H74 PolarHBondContact O-N 2.83Å; H74-A76 VanDerWaalsContact C-N 3.34Å; H74-A76 PolarHBondContact O-N 2.82Å; H74-L77 CarbonylContact O-C 3.57Å; H74-L77 PolarHBondContact O-N 3.33Å; H74-L77 VanDerWaalsContact O-N 3.09Å; H74-Q78 PolarHBondContact O-N 3.45Å; H74-P107 HydrophobicContact CB-CB 3.92Å; H74-P107 HydrophobicContact CB-CG 4.37Å; H74-P107 WeakPolarHBondContact O-CG 3.48Å; H74-S109 PolarHBondContact NE2-OG 3.09Å
75	A	97.4	Very high	96.2	Very high	67 Å²	67	48.3 Å²	48.3	55%	0.554	30%	0.298	S	S	*	.	H	α-helix	trans	-58.1	-45	174.6	0	0	0	0	0	111.8	A71 Q72 L77 Q78	A71-A75 WeakPolarHBondContact O-CB 3.19Å; A71-A75 PolarHBondContact O-N 3.19Å; Q72-A75 PolarHBondContact O-N 2.98Å; A75-L77 PolarHBondContact O-N 3Å; A75-Q78 WeakPolarHBondContact O-CB 3.45Å; A75-Q78 PolarHBondContact O-N 3.1Å
76	A	96.1	Very high	96.2	Very high	37 Å²	37	47 Å²	47	31%	0.306	29%	0.293	S	S	.	.	H	α-helix	trans	-63.7	-24.8	177.1	0	0	0	0	0	113.8	W65 Q72 A73 H74 L86	W65-A76 HydrophobicContact CH2-CB 3.68Å; W65-A76 HydrophobicContact CZ2-CB 4.5Å; W65-A76 HydrophobicContact CZ3-CB 3.92Å; Q72-A76 WeakPolarHBondContact O-CB 3.22Å; Q72-A76 PolarHBondContact O-N 3.38Å; A73-A76 PolarHBondContact O-N 2.54Å; H74-A76 VanDerWaalsContact C-N 3.34Å; H74-A76 PolarHBondContact O-N 2.82Å; A76-L86 HydrophobicContact CB-CD2 4.21Å
77	L	97.2	Very high	96.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-99.3	-7.9	-179.1	-70.9	172.3	0	0	0	113.7	A73 H74 A75 D79 A80 A84 L86 S100 R102 P107 V183	A73-L77 WeakPolarHBondContact O-CG 3.47Å; A73-L77 PolarHBondContact O-N 2.94Å; H74-L77 CarbonylContact O-C 3.57Å; H74-L77 PolarHBondContact O-N 3.33Å; H74-L77 VanDerWaalsContact O-N 3.09Å; A75-L77 PolarHBondContact O-N 3Å; L77-D79 PolarHBondContact O-N 3.46Å; L77-A80 HydrophobicContact CD2-CB 4.29Å; L77-A80 WeakPolarHBondContact O-CB 3.44Å; L77-A80 PolarHBondContact O-N 3.41Å; L77-A84 HydrophobicContact CD2-CB 4.09Å; L77-L86 HydrophobicContact CD1-CD2 4.28Å; L77-L86 HydrophobicContact CD1-CG 4.29Å; L77-L86 HydrophobicContact CD2-CD2 4.36Å; L77-L86 HydrophobicContact CG-CD2 4.05Å; L77-S100 VanDerWaalsContact CD1-C 3.47Å; L77-S100 WeakPolarHBondContact CD1-O 3.47Å; L77-R102 HydrophobicContact CB-CB 4.41Å; L77-R102 VanDerWaalsContact O-CD 3.29Å; L77-R102 WeakPolarHBondContact O-CD 3.39Å; L77-P107 HydrophobicContact CB-CB 4.06Å; L77-P107 HydrophobicContact CB-CG 4Å; L77-V183 HydrophobicContact CD2-CG2 3.8Å
78	Q	95.4	Very high	96.4	Very high	95 Å²	95	42.6 Å²	42.6	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-57.8	-49.9	-172	-175.6	60.2	30.5	0	0	111.4	H74 A75 R102	H74-Q78 PolarHBondContact O-N 3.45Å; A75-Q78 WeakPolarHBondContact O-CB 3.45Å; A75-Q78 PolarHBondContact O-N 3.1Å; Q78-R102 PolarHBondContact O-NE 2.89Å; Q78-R102 PolarHBondContact O-NH2 3.4Å
79	D	92.4	Very high	96.5	Very high	156 Å²	156	43.4 Å²	43.4	83%	0.834	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	5.1	-178.4	-55	-43.4	0	0	0	113	L77	L77-D79 PolarHBondContact O-N 3.46Å
80	A	94.9	Very high	96.5	Very high	19 Å²	19	41.3 Å²	41.3	16%	0.157	25%	0.246	C	C	.	.	S	Bend	trans	-75.4	154.8	175	0	0	0	0	0	110.7	L77 A84 R102	L77-A80 HydrophobicContact CD2-CB 4.29Å; L77-A80 WeakPolarHBondContact O-CB 3.44Å; L77-A80 PolarHBondContact O-N 3.41Å; A80-A84 HydrophobicContact CB-CB 3.54Å; A80-R102 WeakPolarHBondContact O-CG 3.41Å
81	P	95	Very high	96.4	Very high	64 Å²	64	44.2 Å²	44.2	42%	0.416	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-66.8	158	175.3	27.9	-35	0	0	0	111.9	G83 A84	P81-G83 PolarHBondContact O-N 3.3Å; P81-A84 HydrophobicContact CG-CB 4.4Å; P81-A84 WeakPolarHBondContact O-CB 3.48Å; P81-A84 PolarHBondContact O-N 3.06Å
82	E	94.1	Very high	96.2	Very high	79 Å²	79	43.5 Å²	43.5	37%	0.369	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	134.4	173.6	-174.3	-177.5	153	0	0	111.2	A84 K178	E82-A84 VanDerWaalsContact C-N 3.3Å; E82-K178 IonicContact OE1-NZ 3.47Å; E82-K178 PolarHBondContact OE1-NZ 2.89Å
83	G	93.1	Very high	96	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	2.2	-176.1	0	0	0	0	0	114.6	P81 R102 K178 K180 R181	P81-G83 PolarHBondContact O-N 3.3Å; G83-R102 PolarHBondContact N-O 2.88Å; G83-K178 WeakPolarHBondContact CA-O 3.27Å; G83-K180 PolarHBondContact O-N 3.19Å; G83-R181 PolarHBondContact O-N 2.88Å
84	A	96.4	Very high	95.7	Very high	1 Å²	1	51 Å²	51	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	137.3	165.1	0	0	0	0	0	110.3	L77 A80 P81 E82 V101 R102 R181 V183	L77-A84 HydrophobicContact CD2-CB 4.09Å; A80-A84 HydrophobicContact CB-CB 3.54Å; P81-A84 HydrophobicContact CG-CB 4.4Å; P81-A84 WeakPolarHBondContact O-CB 3.48Å; P81-A84 PolarHBondContact O-N 3.06Å; E82-A84 VanDerWaalsContact C-N 3.3Å; A84-V101 CarbonylContact O-C 3.54Å; A84-V101 WeakPolarHBondContact O-CA 3.33Å; A84-R102 HydrophobicContact CB-CB 4.27Å; A84-R102 PolarHBondContact O-N 3.49Å; A84-R181 CarbonylContact C-O 3.55Å; A84-R181 VanDerWaalsContact CA-O 3.24Å; A84-R181 WeakPolarHBondContact CA-O 3.5Å; A84-V183 HydrophobicContact CB-CG2 3.87Å
85	F	97.5	Very high	95.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.9	-179.1	72.4	-90.5	0	0	0	112.8	W63 L99 S100 V101 V141 M145 L179 R181 A182 V183 V227	W63-F85 HydrophobicContact CD2-CE2 4.29Å; W63-F85 HydrophobicContact CE3-CE2 4.17Å; F85-L99 HydrophobicContact CB-CD1 4.14Å; F85-L99 HydrophobicContact CD2-CD1 3.68Å; F85-L99 HydrophobicContact CG-CD1 4.22Å; F85-S100 CarbonylContact C-O 3.56Å; F85-S100 WeakPolarHBondContact CA-O 3.45Å; F85-S100 WeakPolarHBondContact CB-O 3.49Å; F85-V101 HydrophobicContact CB-CB 4.13Å; F85-V101 HydrophobicContact CB-CG2 4.21Å; F85-V141 HydrophobicContact CE1-CG1 4.21Å; F85-V141 HydrophobicContact CE2-CG1 3.63Å; F85-V141 HydrophobicContact CE2-CG2 4.5Å; F85-V141 HydrophobicContact CZ-CG1 3.38Å; F85-M145 HydrophobicContact CE1-CE 4.17Å; F85-M145 HydrophobicContact CE1-CG 4.29Å; F85-M145 HydrophobicContact CE1-SD 3.78Å; F85-M145 HydrophobicContact CZ-SD 3.87Å; F85-L179 HydrophobicContact CB-CD2 3.95Å; F85-L179 HydrophobicContact CD1-CB 4.08Å; F85-L179 HydrophobicContact CD1-CD2 4.03Å; F85-L179 HydrophobicContact CE1-CB 4.25Å; F85-L179 HydrophobicContact CG-CD2 4.05Å; F85-R181 WeakPolarHBondContact CD1-O 3.32Å; F85-R181 VanDerWaalsContact CE1-C 3.42Å; F85-R181 PolarHBondContact N-O 2.83Å; F85-A182 HydrophobicContact CE1-CB 4.09Å; F85-A182 HydrophobicContact CE2-CB 3.97Å; F85-A182 HydrophobicContact CZ-CB 3.58Å; F85-A182 CarbonylContact O-C 3.56Å; F85-V183 PolarHBondContact O-N 3.31Å; F85-V227 HydrophobicContact CZ-CG2 3.89Å
86	L	97.6	Very high	95.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156.2	169.1	63.1	86.8	0	0	0	110	W65 I68 A73 A76 L77 R88 S100 V183	W65-L86 HydrophobicContact CB-CD1 4.47Å; W65-L86 HydrophobicContact CD2-CD2 4.03Å; W65-L86 HydrophobicContact CE3-CD2 4.47Å; W65-L86 HydrophobicContact CG-CB 4.37Å; W65-L86 HydrophobicContact CG-CD1 4.19Å; W65-L86 HydrophobicContact CG-CD2 4.44Å; W65-L86 HydrophobicContact CH2-CD2 4.42Å; W65-L86 HydrophobicContact CZ2-CD2 4.01Å; I68-L86 HydrophobicContact CD1-CD1 3.9Å; A73-L86 HydrophobicContact CB-CD1 3.97Å; A76-L86 HydrophobicContact CB-CD2 4.21Å; L77-L86 HydrophobicContact CD1-CD2 4.28Å; L77-L86 HydrophobicContact CD1-CG 4.29Å; L77-L86 HydrophobicContact CD2-CD2 4.36Å; L77-L86 HydrophobicContact CG-CD2 4.05Å; L86-R88 HydrophobicContact CD1-CB 4.35Å; L86-S100 PolarHBondContact N-O 3.26Å; L86-S100 PolarHBondContact O-N 3.29Å; L86-V183 HydrophobicContact CB-CB 4.48Å
87	L	98.1	Very high	95.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	143.1	174	-165.5	77.9	0	0	0	110.2	L58 W63 Y64 W65 L97 L99 I112 V137	L58-L87 HydrophobicContact CD1-CD2 3.56Å; L58-L87 HydrophobicContact CD2-CD2 3.34Å; L58-L87 HydrophobicContact CG-CD2 4.05Å; W63-L87 HydrophobicContact CE3-CB 3.84Å; W63-L87 HydrophobicContact CZ3-CB 3.76Å; W63-L87 HydrophobicContact CZ3-CD2 4.03Å; W63-L87 HydrophobicContact CZ3-CG 4.44Å; W63-L87 PolarHBondContact O-N 3.31Å; Y64-L87 CarbonylContact C-O 3.54Å; Y64-L87 WeakPolarHBondContact CA-O 3.31Å; Y64-L87 HydrophobicContact CD2-CB 4.34Å; Y64-L87 HydrophobicContact CD2-CD2 4.06Å; Y64-L87 HydrophobicContact CD2-CG 4.29Å; W65-L87 PolarHBondContact N-O 3.47Å; L87-L97 HydrophobicContact CD2-CD1 4.32Å; L87-L97 HydrophobicContact CD2-CD2 4.14Å; L87-L99 HydrophobicContact CD1-CB 4.22Å; L87-L99 HydrophobicContact CD1-CD1 4.39Å; L87-I112 HydrophobicContact CD1-CD1 3.57Å; L87-V137 HydrophobicContact CD1-CG1 4.12Å; L87-V137 HydrophobicContact CD2-CG1 3.77Å
88	R	98.1	Very high	95.8	Very high	11 Å²	11	50 Å²	50	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	170.5	176.7	61.3	173.1	-179.1	88.2	-3.5	111.1	G66 I68 A70 L86 T98 S100 S109	G66-R88 WeakPolarHBondContact O-CA 3.33Å; G66-R88 WeakPolarHBondContact O-CB 3.17Å; I68-R88 HydrophobicContact CD1-CB 4.18Å; I68-R88 HydrophobicContact CG1-CB 3.61Å; I68-R88 HydrophobicContact CG1-CG 4.36Å; A70-R88 VanDerWaalsContact CB-NH2 3.34Å; L86-R88 HydrophobicContact CD1-CB 4.35Å; R88-T98 WeakPolarHBondContact CG-O 3.41Å; R88-T98 PolarHBondContact N-O 3.03Å; R88-T98 PolarHBondContact O-N 3.01Å; R88-S100 PolarHBondContact NE-OG 3Å; R88-S109 PolarHBondContact NH2-OG 3.2Å
89	D	98.2	Very high	95.8	Very high	43 Å²	43	45.5 Å²	45.5	23%	0.23	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	144	169.1	-62.7	-26.6	0	0	0	110.6	Y64 G66 A67 M96	Y64-D89 PolarHBondContact OH-OD1 3.15Å; G66-D89 VanDerWaalsContact C-OD2 3.22Å; G66-D89 PolarHBondContact O-N 3.25Å; A67-D89 VanDerWaalsContact CA-OD2 3.27Å; A67-D89 WeakPolarHBondContact CA-OD2 3.49Å; A67-D89 WeakPolarHBondContact CB-OD2 3.46Å; A67-D89 PolarHBondContact N-OD2 2.93Å; D89-M96 WeakPolarHBondContact CA-O 3.45Å
90	S	97.6	Very high	96.1	Very high	23 Å²	23	38 Å²	38	16%	0.161	22%	0.215	C	C	.	.			trans	-76.4	141.1	172.4	-151.7	0	0	0	0	110.3	H92 Y95 M96 T98	S90-H92 PolarHBondContact OG-N 3.25Å; S90-Y95 WeakPolarHBondContact CB-O 3.47Å; S90-M96 PolarHBondContact N-O 2.89Å; S90-T98 WeakPolarHBondContact CA-OG1 3.43Å; S90-T98 VanDerWaalsContact CB-OG1 3.27Å; S90-T98 WeakPolarHBondContact CB-OG1 2.89Å; S90-T98 PolarHBondContact OG-OG1 3.21Å
91	S	94.9	Very high	96.1	Very high	95 Å²	95	37.2 Å²	37.2	66%	0.664	21%	0.208	S	C	*	.	S	Bend	trans	-85.1	-2.3	168.2	-44	0	0	0	0	111.9
92	H	93.8	Very high	96.1	Very high	56 Å²	56	36.5 Å²	36.5	26%	0.259	20%	0.197	S	C	.	.	S	Bend	trans	-93.6	131.7	-179.6	-168.4	-76.2	0	0	0	110.2	S90 L94 Y95 R111	S90-H92 PolarHBondContact OG-N 3.25Å; H92-L94 PolarHBondContact ND1-N 2.9Å; H92-L94 PolarHBondContact O-N 3.14Å; H92-L94 VanDerWaalsContact O-N 3.12Å; H92-Y95 HydrophobicContact CB-CD2 4.02Å; H92-Y95 AromaticContact CG-CD2 3.79Å; H92-Y95 AromaticContact ND1-CD2 3.38Å; H92-Y95 WeakPolarHBondContact ND1-CD2 3.48Å; H92-Y95 AromaticContact ND1-CE2 3.77Å; H92-Y95 PolarHBondContact O-N 3.31Å; H92-Y95 VanDerWaalsContact O-N 3.09Å; H92-R111 PolarHBondContact CD2-NH1 3.5Å; H92-R111 PolarHBondContact CD2-NH2 2.84Å; H92-R111 VanDerWaalsContact CD2-NH2 3.31Å
93	P	92.1	Very high	96.1	Very high	122 Å²	122	33.5 Å²	33.5	79%	0.792	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.5	-172.1	23.6	-35	0	0	0	114.4
94	L	93	Very high	95.9	Very high	143 Å²	143	37.1 Å²	37.1	75%	0.749	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.6	179.8	-56.9	-178.4	0	0	0	115	H92	H92-L94 PolarHBondContact ND1-N 2.9Å; H92-L94 PolarHBondContact O-N 3.14Å; H92-L94 VanDerWaalsContact O-N 3.12Å
95	Y	95.4	Very high	95.6	Very high	45 Å²	45	47 Å²	47	18%	0.176	25%	0.251	C	S	.	.			trans	-132.2	138.2	-175.2	-64.4	-94.5	0	0	0	110.2	S90 H92 R111 I112 Q113 D122	S90-Y95 WeakPolarHBondContact CB-O 3.47Å; H92-Y95 HydrophobicContact CB-CD2 4.02Å; H92-Y95 AromaticContact CG-CD2 3.79Å; H92-Y95 AromaticContact ND1-CD2 3.38Å; H92-Y95 WeakPolarHBondContact ND1-CD2 3.48Å; H92-Y95 AromaticContact ND1-CE2 3.77Å; H92-Y95 PolarHBondContact O-N 3.31Å; H92-Y95 VanDerWaalsContact O-N 3.09Å; Y95-R111 HydrophobicContact CD1-CB 3.59Å; Y95-R111 HydrophobicContact CD1-CG 4.4Å; Y95-R111 HydrophobicContact CD2-CB 4.45Å; Y95-R111 HydrophobicContact CD2-CG 4.45Å; Y95-R111 HydrophobicContact CE1-CB 3.75Å; Y95-R111 HydrophobicContact CG-CB 3.96Å; Y95-R111 HydrophobicContact CG-CG 4.3Å; Y95-I112 WeakPolarHBondContact CD1-O 3.33Å; Y95-Q113 HydrophobicContact CD1-CG 4.39Å; Y95-Q113 HydrophobicContact CE1-CB 4.49Å; Y95-Q113 HydrophobicContact CE1-CG 3.55Å; Y95-D122 HydrophobicContact CE1-CB 4.19Å; Y95-D122 PolarHBondContact OH-OD2 2.86Å; Y95-D122 VanDerWaalsContact OH-OD2 3.14Å
96	M	97.1	Very high	95.3	Very high	93 Å²	93	47.6 Å²	47.6	46%	0.458	26%	0.256	S	S	.	.	S	Bend	trans	-82.9	-41.4	176.4	-63.3	172.4	-178.9	0	0	111.2	I51 D89 S90	I51-M96 HydrophobicContact CD1-CE 4.02Å; I51-M96 HydrophobicContact CD1-SD 4.43Å; D89-M96 WeakPolarHBondContact CA-O 3.45Å; S90-M96 PolarHBondContact N-O 2.89Å
97	L	98.3	Very high	95.2	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.4	-166.8	-65.2	168.2	0	0	0	111.9	F55 L58 Y64 L87 I112 F119 V137	F55-L97 HydrophobicContact CE1-CD2 4.02Å; F55-L97 HydrophobicContact CZ-CD1 4.48Å; F55-L97 HydrophobicContact CZ-CD2 4.11Å; F55-L97 HydrophobicContact CZ-CG 4.37Å; L58-L97 HydrophobicContact CD1-CD1 3.7Å; L58-L97 HydrophobicContact CD1-CD2 4Å; Y64-L97 HydrophobicContact CE2-CD2 3.89Å; L87-L97 HydrophobicContact CD2-CD1 4.32Å; L87-L97 HydrophobicContact CD2-CD2 4.14Å; L97-I112 HydrophobicContact CB-CB 4.29Å; L97-I112 HydrophobicContact CB-CD1 4.3Å; L97-I112 PolarHBondContact O-N 3.41Å; L97-I112 VanDerWaalsContact O-N 3.1Å; L97-F119 HydrophobicContact CD1-CE1 4.41Å; L97-V137 HydrophobicContact CD1-CG2 3.88Å
98	T	97.7	Very high	95	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	126.5	176.7	-64.5	0	0	0	0	110.2	R88 S90 I110	R88-T98 WeakPolarHBondContact CG-O 3.41Å; R88-T98 PolarHBondContact N-O 3.03Å; R88-T98 PolarHBondContact O-N 3.01Å; S90-T98 WeakPolarHBondContact CA-OG1 3.43Å; S90-T98 VanDerWaalsContact CB-OG1 3.27Å; S90-T98 WeakPolarHBondContact CB-OG1 2.89Å; S90-T98 PolarHBondContact OG-OG1 3.21Å; T98-I110 CarbonylContact C-O 3.3Å; T98-I110 WeakPolarHBondContact CA-O 3.17Å; T98-I110 WeakPolarHBondContact CG2-O 3.47Å
99	L	97.3	Very high	94.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.8	172.7	-179.1	66	0	0	0	108.9	F85 L87 S109 I110 I112 L121 L179	F85-L99 HydrophobicContact CB-CD1 4.14Å; F85-L99 HydrophobicContact CD2-CD1 3.68Å; F85-L99 HydrophobicContact CG-CD1 4.22Å; L87-L99 HydrophobicContact CD1-CB 4.22Å; L87-L99 HydrophobicContact CD1-CD1 4.39Å; L99-S109 CarbonylContact O-C 3.5Å; L99-S109 WeakPolarHBondContact O-CA 3.4Å; L99-I110 HydrophobicContact CB-CB 4.32Å; L99-I110 PolarHBondContact N-O 2.97Å; L99-I110 PolarHBondContact O-N 2.87Å; L99-I112 HydrophobicContact CB-CD1 4.48Å; L99-L121 HydrophobicContact CD2-CD2 4.4Å; L99-L179 HydrophobicContact CD2-CD1 4.02Å; L99-L179 HydrophobicContact CD2-CD2 4.06Å
100	S	97.3	Very high	94.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.7	172	-55.2	0	0	0	0	108.8	L77 F85 L86 R88 T108 S109	L77-S100 VanDerWaalsContact CD1-C 3.47Å; L77-S100 WeakPolarHBondContact CD1-O 3.47Å; F85-S100 CarbonylContact C-O 3.56Å; F85-S100 WeakPolarHBondContact CA-O 3.45Å; F85-S100 WeakPolarHBondContact CB-O 3.49Å; L86-S100 PolarHBondContact N-O 3.26Å; L86-S100 PolarHBondContact O-N 3.29Å; R88-S100 PolarHBondContact NE-OG 3Å; S100-T108 CarbonylContact C-O 3.52Å; S100-T108 VanDerWaalsContact CA-O 3.27Å; S100-T108 WeakPolarHBondContact CA-O 3.43Å; S100-S109 PolarHBondContact OG-OG 3.02Å
101	V	96	Very high	94.6	Very high	1 Å²	1	51 Å²	51	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.8	-172.9	60.4	0	0	0	0	110.8	A84 F85 T103 P107 T108 I110 L177 L179	A84-V101 CarbonylContact O-C 3.54Å; A84-V101 WeakPolarHBondContact O-CA 3.33Å; F85-V101 HydrophobicContact CB-CB 4.13Å; F85-V101 HydrophobicContact CB-CG2 4.21Å; V101-T103 HydrophobicContact CG1-CG2 4.15Å; V101-P107 CarbonylContact O-C 3.56Å; V101-P107 WeakPolarHBondContact O-CA 3.35Å; V101-T108 HydrophobicContact CG1-CG2 3.51Å; V101-T108 PolarHBondContact N-O 2.65Å; V101-T108 PolarHBondContact O-N 2.93Å; V101-I110 HydrophobicContact CG1-CD1 4.14Å; V101-L177 HydrophobicContact CB-CD1 4.46Å; V101-L177 HydrophobicContact CG1-CD1 3.8Å; V101-L177 HydrophobicContact CG2-CD1 4.4Å; V101-L179 HydrophobicContact CB-CD2 4.21Å; V101-L179 HydrophobicContact CG2-CD2 3.76Å
102	R	95.6	Very high	94.6	Very high	50 Å²	50	46.7 Å²	46.7	19%	0.189	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	112.6	170.5	-176.9	54.7	163.3	105.8	-4.4	109.6	L77 Q78 A80 G83 A84 G106	L77-R102 HydrophobicContact CB-CB 4.41Å; L77-R102 VanDerWaalsContact O-CD 3.29Å; L77-R102 WeakPolarHBondContact O-CD 3.39Å; Q78-R102 PolarHBondContact O-NE 2.89Å; Q78-R102 PolarHBondContact O-NH2 3.4Å; A80-R102 WeakPolarHBondContact O-CG 3.41Å; G83-R102 PolarHBondContact N-O 2.88Å; A84-R102 HydrophobicContact CB-CB 4.27Å; A84-R102 PolarHBondContact O-N 3.49Å; R102-G106 VanDerWaalsContact NH1-CA 3.28Å; R102-G106 VanDerWaalsContact NH1-N 3.18Å
103	T	92.2	Very high	94.7	Very high	16 Å²	16	46.1 Å²	46.1	10%	0.098	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	171.7	173.2	71.8	0	0	0	0	109.9	V101 R105 G106 T108 V175	V101-T103 HydrophobicContact CG1-CG2 4.15Å; T103-R105 PolarHBondContact O-N 3.29Å; T103-R105 VanDerWaalsContact O-N 3.11Å; T103-R105 PolarHBondContact OG1-N 3.24Å; T103-G106 PolarHBondContact N-O 3.02Å; T103-G106 PolarHBondContact O-N 3.03Å; T103-G106 PolarHBondContact OG1-O 3.02Å; T103-T108 HydrophobicContact CG2-CG2 3.59Å; T103-V175 HydrophobicContact CG2-CG1 3.8Å
104	A	90	Very high	94.7	Very high	75 Å²	75	42.7 Å²	42.7	62%	0.62	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.6	173.2	0	0	0	0	0	113.3
105	R	89.4	Confident	94.7	Very high	210 Å²	210	40.3 Å²	40.3	79%	0.792	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.8	-178.8	-63.8	-178.2	64.8	-163.5	-0.3	114.7	T103	T103-R105 PolarHBondContact O-N 3.29Å; T103-R105 VanDerWaalsContact O-N 3.11Å; T103-R105 PolarHBondContact OG1-N 3.24Å
106	G	92.5	Very high	94.4	Very high	11 Å²	11	40.3 Å²	40.3	11%	0.113	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.5	177.3	-175.4	0	0	0	0	0	113.2	R102 T103	R102-G106 VanDerWaalsContact NH1-CA 3.28Å; R102-G106 VanDerWaalsContact NH1-N 3.18Å; T103-G106 PolarHBondContact N-O 3.02Å; T103-G106 PolarHBondContact O-N 3.03Å; T103-G106 PolarHBondContact OG1-O 3.02Å
107	P	95.2	Very high	94.3	Very high	24 Å²	24	36.1 Å²	36.1	16%	0.156	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	136.2	169.5	-21.6	33.4	0	0	0	111.7	H74 L77 V101	H74-P107 HydrophobicContact CB-CB 3.92Å; H74-P107 HydrophobicContact CB-CG 4.37Å; H74-P107 WeakPolarHBondContact O-CG 3.48Å; L77-P107 HydrophobicContact CB-CB 4.06Å; L77-P107 HydrophobicContact CB-CG 4Å; V101-P107 CarbonylContact O-C 3.56Å; V101-P107 WeakPolarHBondContact O-CA 3.35Å
108	T	94	Very high	94.1	Very high	37 Å²	37	39 Å²	39	23%	0.227	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	162	173.1	-169.9	0	0	0	0	110.2	S100 V101 T103	S100-T108 CarbonylContact C-O 3.52Å; S100-T108 VanDerWaalsContact CA-O 3.27Å; S100-T108 WeakPolarHBondContact CA-O 3.43Å; V101-T108 HydrophobicContact CG1-CG2 3.51Å; V101-T108 PolarHBondContact N-O 2.65Å; V101-T108 PolarHBondContact O-N 2.93Å; T103-T108 HydrophobicContact CG2-CG2 3.59Å
109	S	94.7	Very high	94	Very high	13 Å²	13	39 Å²	39	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.3	178.2	-70.4	0	0	0	0	111.2	H74 R88 L99 S100	H74-S109 PolarHBondContact NE2-OG 3.09Å; R88-S109 PolarHBondContact NH2-OG 3.2Å; L99-S109 CarbonylContact O-C 3.5Å; L99-S109 WeakPolarHBondContact O-CA 3.4Å; S100-S109 PolarHBondContact OG-OG 3.02Å
110	I	93.8	Very high	93.8	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.3	-174.4	-71.7	170.4	0	0	0	107.3	I2 T98 L99 V101 L121 L177	I2-I110 HydrophobicContact CB-CD1 4.29Å; I2-I110 HydrophobicContact CB-CG1 3.88Å; I2-I110 HydrophobicContact CB-CG2 4.35Å; I2-I110 HydrophobicContact CD1-CB 4.32Å; I2-I110 HydrophobicContact CD1-CD1 4.16Å; I2-I110 HydrophobicContact CD1-CG1 4.19Å; I2-I110 HydrophobicContact CD1-CG2 3.32Å; I2-I110 HydrophobicContact CG1-CG2 4.38Å; I2-I110 HydrophobicContact CG2-CB 4.02Å; I2-I110 HydrophobicContact CG2-CG1 3.68Å; I2-I110 HydrophobicContact CG2-CG2 3.89Å; T98-I110 CarbonylContact C-O 3.3Å; T98-I110 WeakPolarHBondContact CA-O 3.17Å; T98-I110 WeakPolarHBondContact CG2-O 3.47Å; L99-I110 HydrophobicContact CB-CB 4.32Å; L99-I110 PolarHBondContact N-O 2.97Å; L99-I110 PolarHBondContact O-N 2.87Å; V101-I110 HydrophobicContact CG1-CD1 4.14Å; I110-L121 HydrophobicContact CG2-CB 4.28Å; I110-L121 HydrophobicContact CG2-CD2 3.81Å; I110-L121 HydrophobicContact CG2-CG 4.46Å; I110-L177 HydrophobicContact CD1-CD1 3.43Å; I110-L177 VanDerWaalsContact CD1-CD1 3.43Å; I110-L177 HydrophobicContact CD1-CD2 4.03Å; I110-L177 HydrophobicContact CD1-CG 4.28Å
111	R	95.5	Very high	93.6	Very high	68 Å²	68	40.7 Å²	40.7	26%	0.257	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	150.7	178.1	-62	176.7	-175.6	155.8	2.3	110.2	H92 Y95 D122	H92-R111 PolarHBondContact CD2-NH1 3.5Å; H92-R111 PolarHBondContact CD2-NH2 2.84Å; H92-R111 VanDerWaalsContact CD2-NH2 3.31Å; Y95-R111 HydrophobicContact CD1-CB 3.59Å; Y95-R111 HydrophobicContact CD1-CG 4.4Å; Y95-R111 HydrophobicContact CD2-CB 4.45Å; Y95-R111 HydrophobicContact CD2-CG 4.45Å; Y95-R111 HydrophobicContact CE1-CB 3.75Å; Y95-R111 HydrophobicContact CG-CB 3.96Å; Y95-R111 HydrophobicContact CG-CG 4.3Å; R111-D122 HydrophobicContact CB-CB 3.9Å; R111-D122 VanDerWaalsContact O-CB 3.3Å; R111-D122 WeakPolarHBondContact O-CB 3.37Å; R111-D122 PolarHBondContact O-N 3.16Å
112	I	95.7	Very high	93.1	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.2	175.2	-54.2	-174.1	0	0	0	108.1	L87 Y95 L97 L99 F119 L120 L121 V137 L140	L87-I112 HydrophobicContact CD1-CD1 3.57Å; Y95-I112 WeakPolarHBondContact CD1-O 3.33Å; L97-I112 HydrophobicContact CB-CB 4.29Å; L97-I112 HydrophobicContact CB-CD1 4.3Å; L97-I112 PolarHBondContact O-N 3.41Å; L97-I112 VanDerWaalsContact O-N 3.1Å; L99-I112 HydrophobicContact CB-CD1 4.48Å; I112-F119 HydrophobicContact CG2-CB 4.02Å; I112-F119 HydrophobicContact CG2-CD1 4.02Å; I112-L120 CarbonylContact C-O 3.47Å; I112-L120 WeakPolarHBondContact CA-O 3.39Å; I112-L121 HydrophobicContact CD1-CD2 4.46Å; I112-L121 HydrophobicContact CG1-CD2 4.03Å; I112-V137 HydrophobicContact CD1-CG1 3.92Å; I112-V137 HydrophobicContact CD1-CG2 4.16Å; I112-V137 HydrophobicContact CG2-CG2 4.43Å; I112-L140 HydrophobicContact CG2-CD1 4.41Å
113	Q	95.1	Very high	92.1	Very high	43 Å²	43	39.7 Å²	39.7	20%	0.201	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	146.4	171.8	-69.4	-177.2	-1.7	0	0	110.3	Y95 F119 L120 D122	Y95-Q113 HydrophobicContact CD1-CG 4.39Å; Y95-Q113 HydrophobicContact CE1-CB 4.49Å; Y95-Q113 HydrophobicContact CE1-CG 3.55Å; Q113-F119 WeakPolarHBondContact O-CA 3.43Å; Q113-L120 HydrophobicContact CB-CB 4.38Å; Q113-L120 PolarHBondContact N-O 3.01Å; Q113-L120 PolarHBondContact O-N 3.1Å; Q113-D122 HydrophobicContact CG-CB 4.06Å; Q113-D122 PolarHBondContact NE2-OD1 2.79Å
114	Y	93.9	Very high	90.3	Very high	51 Å²	51	41.9 Å²	41.9	20%	0.2	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128	171.1	177.9	-95.5	0	0	0	109.5	D47 I51 A117 Q118 F119	D47-Y114 WeakPolarHBondContact CA-OH 3.32Å; D47-Y114 HydrophobicContact CB-CE1 4.29Å; D47-Y114 VanDerWaalsContact CB-OH 3.27Å; D47-Y114 WeakPolarHBondContact CB-OH 3.26Å; D47-Y114 PolarHBondContact O-OH 2.83Å; D47-Y114 VanDerWaalsContact O-OH 3.06Å; D47-Y114 PolarHBondContact OD1-OH 2.9Å; I51-Y114 HydrophobicContact CD1-CD1 4.47Å; I51-Y114 HydrophobicContact CD1-CE1 3.81Å; I51-Y114 HydrophobicContact CG1-CE1 4.07Å; I51-Y114 HydrophobicContact CG1-CE2 3.92Å; Y114-A117 WeakPolarHBondContact OH-CA 3.39Å; Y114-Q118 VanDerWaalsContact CA-O 3.31Å; Y114-Q118 WeakPolarHBondContact CA-O 2.94Å; Y114-Q118 WeakPolarHBondContact CD2-O 3.41Å; Y114-F119 AromaticContact CD2-CD1 3.86Å; Y114-F119 HydrophobicContact CD2-CD1 3.86Å; Y114-F119 HydrophobicContact CD2-CD2 4.21Å; Y114-F119 AromaticContact CD2-CE1 3.54Å; Y114-F119 HydrophobicContact CD2-CE1 3.54Å; Y114-F119 AromaticContact CD2-CE2 3.92Å; Y114-F119 HydrophobicContact CD2-CE2 3.92Å; Y114-F119 HydrophobicContact CD2-CG 4.2Å; Y114-F119 AromaticContact CD2-CZ 3.57Å; Y114-F119 HydrophobicContact CD2-CZ 3.57Å; Y114-F119 HydrophobicContact CE2-CD2 4.47Å; Y114-F119 HydrophobicContact CE2-CE1 4.2Å; Y114-F119 AromaticContact CE2-CE2 3.89Å; Y114-F119 HydrophobicContact CE2-CE2 3.89Å; Y114-F119 AromaticContact CE2-CZ 3.74Å; Y114-F119 HydrophobicContact CE2-CZ 3.74Å; Y114-F119 HydrophobicContact CG-CE1 4.38Å
115	S	91.7	Very high	88.4	Confident	93 Å²	93	39.8 Å²	39.8	65%	0.65	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-156.5	131.6	176.5	-172	0	0	0	0	110.4	A117 Q118	S115-A117 PolarHBondContact O-N 2.99Å; S115-Q118 PolarHBondContact N-O 2.62Å; S115-Q118 WeakPolarHBondContact O-CB 3.46Å; S115-Q118 PolarHBondContact O-N 3.37Å; S115-Q118 VanDerWaalsContact O-N 3.08Å
116	G	90.4	Very high	86.3	Confident	45 Å²	45	33.6 Å²	33.6	46%	0.464	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	49.8	174.5	0	0	0	0	0	114	Q118	G116-Q118 PolarHBondContact O-N 3.07Å
117	A	93.9	Very high	84.3	Confident	5 Å²	5	34.5 Å²	34.5	4%	0.041	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	29.6	-175.3	0	0	0	0	0	115	K46 D47 A50 Y114 S115	K46-A117 HydrophobicContact CD-CB 4.22Å; K46-A117 HydrophobicContact CG-CB 4.05Å; D47-A117 WeakPolarHBondContact OD1-CA 3.39Å; D47-A117 PolarHBondContact OD1-N 2.88Å; A50-A117 HydrophobicContact CB-CB 3.84Å; Y114-A117 WeakPolarHBondContact OH-CA 3.39Å; S115-A117 PolarHBondContact O-N 2.99Å
118	Q	95	Very high	82.2	Confident	62 Å²	62	40.7 Å²	40.7	29%	0.29	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.9	177.4	-60.9	-69	-64.4	0	0	111.7	Y114 S115 G116 F134	Y114-Q118 VanDerWaalsContact CA-O 3.31Å; Y114-Q118 WeakPolarHBondContact CA-O 2.94Å; Y114-Q118 WeakPolarHBondContact CD2-O 3.41Å; S115-Q118 PolarHBondContact N-O 2.62Å; S115-Q118 WeakPolarHBondContact O-CB 3.46Å; S115-Q118 PolarHBondContact O-N 3.37Å; S115-Q118 VanDerWaalsContact O-N 3.08Å; G116-Q118 PolarHBondContact O-N 3.07Å; Q118-F134 CarbonylContact C-O 3.51Å; Q118-F134 WeakPolarHBondContact CA-O 3.39Å; Q118-F134 PolarHBondContact OE1-O 3.1Å
119	F	95.2	Very high	80	Confident	4 Å²	4	44 Å²	44	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.4	176.5	-62.6	-91.1	0	0	0	110.1	N54 L97 I112 Q113 Y114 S133 F134 P135 V137 L140	N54-F119 HydrophobicContact CB-CE2 3.91Å; N54-F119 HydrophobicContact CB-CZ 3.72Å; L97-F119 HydrophobicContact CD1-CE1 4.41Å; I112-F119 HydrophobicContact CG2-CB 4.02Å; I112-F119 HydrophobicContact CG2-CD1 4.02Å; Q113-F119 WeakPolarHBondContact O-CA 3.43Å; Y114-F119 AromaticContact CD2-CD1 3.86Å; Y114-F119 HydrophobicContact CD2-CD1 3.86Å; Y114-F119 HydrophobicContact CD2-CD2 4.21Å; Y114-F119 AromaticContact CD2-CE1 3.54Å; Y114-F119 HydrophobicContact CD2-CE1 3.54Å; Y114-F119 AromaticContact CD2-CE2 3.92Å; Y114-F119 HydrophobicContact CD2-CE2 3.92Å; Y114-F119 HydrophobicContact CD2-CG 4.2Å; Y114-F119 AromaticContact CD2-CZ 3.57Å; Y114-F119 HydrophobicContact CD2-CZ 3.57Å; Y114-F119 HydrophobicContact CE2-CD2 4.47Å; Y114-F119 HydrophobicContact CE2-CE1 4.2Å; Y114-F119 AromaticContact CE2-CE2 3.89Å; Y114-F119 HydrophobicContact CE2-CE2 3.89Å; Y114-F119 AromaticContact CE2-CZ 3.74Å; Y114-F119 HydrophobicContact CE2-CZ 3.74Å; Y114-F119 HydrophobicContact CG-CE1 4.38Å; F119-S133 CarbonylContact O-C 3.57Å; F119-S133 WeakPolarHBondContact O-CA 3.3Å; F119-F134 PolarHBondContact N-O 2.88Å; F119-F134 PolarHBondContact O-N 3.3Å; F119-P135 WeakPolarHBondContact CE2-O 3.48Å; F119-V137 HydrophobicContact CB-CG2 4.25Å; F119-V137 HydrophobicContact CD1-CG2 3.65Å; F119-V137 HydrophobicContact CD2-CG2 4.49Å; F119-V137 HydrophobicContact CE1-CG2 4.09Å; F119-V137 HydrophobicContact CG-CG2 3.87Å; F119-L140 HydrophobicContact CB-CD1 4.29Å
120	L	93.3	Very high	78.5	Confident	34 Å²	34	48.1 Å²	48.1	18%	0.178	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	144.7	-178.7	-179.4	69.1	0	0	0	109.1	I112 Q113 L131 S132	I112-L120 CarbonylContact C-O 3.47Å; I112-L120 WeakPolarHBondContact CA-O 3.39Å; Q113-L120 HydrophobicContact CB-CB 4.38Å; Q113-L120 PolarHBondContact N-O 3.01Å; Q113-L120 PolarHBondContact O-N 3.1Å; L120-L131 HydrophobicContact CD1-CB 3.54Å; L120-L131 HydrophobicContact CG-CB 4.46Å; L120-S132 WeakPolarHBondContact CD1-O 3.28Å
121	L	91.6	Very high	77.6	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	132.7	170.9	-61.9	-177.5	0	0	0	110.6	I2 L99 I110 I112 S123 L131 L140 Y144 L177	I2-L121 HydrophobicContact CD1-CB 3.38Å; I2-L121 HydrophobicContact CD1-CD1 3.98Å; I2-L121 HydrophobicContact CD1-CG 4.24Å; L99-L121 HydrophobicContact CD2-CD2 4.4Å; I110-L121 HydrophobicContact CG2-CB 4.28Å; I110-L121 HydrophobicContact CG2-CD2 3.81Å; I110-L121 HydrophobicContact CG2-CG 4.46Å; I112-L121 HydrophobicContact CD1-CD2 4.46Å; I112-L121 HydrophobicContact CG1-CD2 4.03Å; L121-S123 PolarHBondContact O-N 3.37Å; L121-L131 HydrophobicContact CB-CD1 4.44Å; L121-L131 WeakPolarHBondContact O-CD1 3.3Å; L121-L140 HydrophobicContact CD1-CD2 4.21Å; L121-L140 HydrophobicContact CD2-CD1 4.01Å; L121-L140 HydrophobicContact CD2-CD2 3.56Å; L121-L140 HydrophobicContact CD2-CG 4.39Å; L121-L140 HydrophobicContact CG-CD1 4.09Å; L121-L140 HydrophobicContact CG-CD2 3.81Å; L121-L140 HydrophobicContact CG-CG 4.35Å; L121-Y144 HydrophobicContact CD1-CD2 3.83Å; L121-Y144 HydrophobicContact CD1-CE1 4.42Å; L121-Y144 HydrophobicContact CD1-CE2 3.56Å; L121-Y144 HydrophobicContact CD1-CG 4.39Å; L121-Y144 HydrophobicContact CG-CE2 4.06Å; L121-L177 HydrophobicContact CD1-CD2 3.26Å
122	D	87.1	Confident	77.1	Confident	23 Å²	23	48.5 Å²	48.5	12%	0.123	32%	0.316	C	S	.	.			trans	-66.1	122.6	178.5	-173.1	21.2	0	0	0	110.2	I2 Y95 R111 Q113	I2-D122 VanDerWaalsContact CB-O 3.31Å; I2-D122 WeakPolarHBondContact CB-O 3.22Å; I2-D122 WeakPolarHBondContact CD1-O 3.4Å; I2-D122 WeakPolarHBondContact CG1-O 3.02Å; I2-D122 WeakPolarHBondContact CG2-O 3.28Å; Y95-D122 HydrophobicContact CE1-CB 4.19Å; Y95-D122 PolarHBondContact OH-OD2 2.86Å; Y95-D122 VanDerWaalsContact OH-OD2 3.14Å; R111-D122 HydrophobicContact CB-CB 3.9Å; R111-D122 VanDerWaalsContact O-CB 3.3Å; R111-D122 WeakPolarHBondContact O-CB 3.37Å; R111-D122 PolarHBondContact O-N 3.16Å; Q113-D122 HydrophobicContact CG-CB 4.06Å; Q113-D122 PolarHBondContact NE2-OD1 2.79Å
123	S	74	Confident	77	Confident	7 Å²	7	51.5 Å²	51.5	5%	0.049	34%	0.338	C	S	.	.			trans	-113.9	121.9	174.3	176.9	0	0	0	0	109.6	M1 L121 S125	M1-S123 WeakPolarHBondContact O-CA 3.35Å; M1-S123 WeakPolarHBondContact O-CB 3.37Å; M1-S123 PolarHBondContact O-OG 3.27Å; L121-S123 PolarHBondContact O-N 3.37Å; S123-S125 VanDerWaalsContact C-N 3.26Å; S123-S125 PolarHBondContact O-N 3.11Å; S123-S125 PolarHBondContact OG-N 3.44Å; S123-S125 PolarHBondContact OG-O 2.99Å
124	S	53.9	Low	77	Confident	62 Å²	62	50.5 Å²	50.5	43%	0.434	33%	0.333	S	S	.	.	S	Bend	trans	-82.4	0.7	175	57.9	0	0	0	0	113.7	L3	L3-S124 WeakPolarHBondContact CA-OG 3.3Å; L3-S124 VanDerWaalsContact CB-OG 3.22Å; L3-S124 WeakPolarHBondContact CB-OG 3.49Å; L3-S124 PolarHBondContact N-OG 3.13Å; L3-S124 PolarHBondContact O-OG 3.31Å
125	S	49.9	Very low	77.1	Confident	30 Å²	30	51.4 Å²	51.4	21%	0.21	35%	0.345	C	S	.	.	S	Bend	trans	-130.5	164.2	-179.6	62	0	0	0	0	111.5	M1 S123 A127 R128	M1-S125 WeakPolarHBondContact CB-OG 3.15Å; M1-S125 WeakPolarHBondContact CE-OG 3.48Å; M1-S125 PolarHBondContact O-OG 3.04Å; S123-S125 VanDerWaalsContact C-N 3.26Å; S123-S125 PolarHBondContact O-N 3.11Å; S123-S125 PolarHBondContact OG-N 3.44Å; S123-S125 PolarHBondContact OG-O 2.99Å; S125-A127 PolarHBondContact O-N 2.85Å; S125-R128 PolarHBondContact O-N 3.23Å
126	G	45.4	Very low	77.3	Confident	81 Å²	81	47.9 Å²	47.9	84%	0.835	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-55.2	-0.3	-176.8	0	0	0	0	0	116.9	R128	G126-R128 PolarHBondContact O-N 2.95Å; G126-R128 VanDerWaalsContact O-N 3.14Å
127	A	51.8	Low	77.7	Confident	30 Å²	30	45.7 Å²	45.7	25%	0.248	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-68.2	3.1	169.7	0	0	0	0	0	114.7	M1 S125 A129 S130	M1-A127 HydrophobicContact CB-CB 4.35Å; M1-A127 HydrophobicContact CE-CB 4.36Å; S125-A127 PolarHBondContact O-N 2.85Å; A127-A129 PolarHBondContact O-N 2.66Å; A127-A129 VanDerWaalsContact O-N 3.1Å; A127-S130 PolarHBondContact O-N 3.37Å; A127-S130 VanDerWaalsContact O-N 3.1Å
128	R	51.3	Low	77.8	Confident	154 Å²	154	45.5 Å²	45.5	58%	0.581	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-52	-30.8	173.9	-96.1	-163.3	-174.6	163.2	4.4	112.8	S125 G126 S130 L131	S125-R128 PolarHBondContact O-N 3.23Å; G126-R128 PolarHBondContact O-N 2.95Å; G126-R128 VanDerWaalsContact O-N 3.14Å; R128-S130 PolarHBondContact O-N 3.42Å; R128-S130 VanDerWaalsContact O-N 3.16Å; R128-L131 PolarHBondContact O-N 3.1Å
129	A	47.5	Very low	77.8	Confident	106 Å²	106	44.1 Å²	44.1	88%	0.876	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-64.7	-15.3	-179.3	0	0	0	0	0	114.6	A127	A127-A129 PolarHBondContact O-N 2.66Å; A127-A129 VanDerWaalsContact O-N 3.1Å
130	S	61.9	Low	77.8	Confident	100 Å²	100	43.9 Å²	43.9	70%	0.699	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-113.4	-4.1	-177.7	-176.6	0	0	0	0	114.1	A127 R128	A127-S130 PolarHBondContact O-N 3.37Å; A127-S130 VanDerWaalsContact O-N 3.1Å; R128-S130 PolarHBondContact O-N 3.42Å; R128-S130 VanDerWaalsContact O-N 3.16Å
131	L	76.1	Confident	77.9	Confident	34 Å²	34	42.3 Å²	42.3	18%	0.178	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-84	123.3	-179.6	-65	-175.1	0	0	0	110.3	L120 L121 R128 Y144	L120-L131 HydrophobicContact CD1-CB 3.54Å; L120-L131 HydrophobicContact CG-CB 4.46Å; L121-L131 HydrophobicContact CB-CD1 4.44Å; L121-L131 WeakPolarHBondContact O-CD1 3.3Å; R128-L131 PolarHBondContact O-N 3.1Å; L131-Y144 HydrophobicContact CD2-CE1 4.48Å; L131-Y144 VanDerWaalsContact CD2-OH 3.3Å; L131-Y144 WeakPolarHBondContact CD2-OH 3.4Å
132	S	85.4	Confident	77.9	Confident	48 Å²	48	45.1 Å²	45.1	34%	0.336	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-78	139.7	175.3	-56.4	0	0	0	0	111.2	L120 F134	L120-S132 WeakPolarHBondContact CD1-O 3.28Å; S132-F134 VanDerWaalsContact CB-CZ 3.49Å; S132-F134 VanDerWaalsContact O-CD2 3.28Å; S132-F134 WeakPolarHBondContact O-CD2 3.12Å; S132-F134 WeakPolarHBondContact O-CE2 3.42Å
133	S	91.6	Very high	78.1	Confident	68 Å²	68	47.9 Å²	47.9	48%	0.476	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-89.1	152.4	167.6	59.2	0	0	0	0	110.5	F119	F119-S133 CarbonylContact O-C 3.57Å; F119-S133 WeakPolarHBondContact O-CA 3.3Å
134	F	95.1	Very high	78.8	Confident	22 Å²	22	49 Å²	49	10%	0.096	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-137.6	149.2	-175	-60.9	-87.2	0	0	0	111.7	Q118 F119 S132 N136 L140 H143 Y144	Q118-F134 CarbonylContact C-O 3.51Å; Q118-F134 WeakPolarHBondContact CA-O 3.39Å; Q118-F134 PolarHBondContact OE1-O 3.1Å; F119-F134 PolarHBondContact N-O 2.88Å; F119-F134 PolarHBondContact O-N 3.3Å; S132-F134 VanDerWaalsContact CB-CZ 3.49Å; S132-F134 VanDerWaalsContact O-CD2 3.28Å; S132-F134 WeakPolarHBondContact O-CD2 3.12Å; S132-F134 WeakPolarHBondContact O-CE2 3.42Å; F134-N136 PolarHBondContact O-N 3.42Å; F134-L140 HydrophobicContact CB-CB 3.96Å; F134-L140 HydrophobicContact CD2-CB 3.44Å; F134-L140 VanDerWaalsContact CD2-CB 3.44Å; F134-L140 HydrophobicContact CD2-CD1 3.91Å; F134-L140 HydrophobicContact CD2-CG 3.55Å; F134-L140 HydrophobicContact CE2-CB 4.06Å; F134-L140 HydrophobicContact CE2-CG 3.89Å; F134-L140 HydrophobicContact CG-CB 3.73Å; F134-L140 HydrophobicContact CG-CG 4.35Å; F134-H143 HydrophobicContact CE1-CB 3.53Å; F134-H143 AromaticContact CE1-CG 3.77Å; F134-H143 HydrophobicContact CE2-CB 4.44Å; F134-H143 HydrophobicContact CZ-CB 3.43Å; F134-H143 VanDerWaalsContact CZ-CB 3.43Å; F134-H143 AromaticContact CZ-CD2 3.63Å; F134-H143 AromaticContact CZ-CG 3.37Å; F134-H143 AromaticContact CZ-ND1 3.89Å; F134-Y144 AromaticContact CE2-CE2 3.97Å; F134-Y144 HydrophobicContact CE2-CE2 3.97Å
135	P	96.3	Very high	80.4	Confident	70 Å²	70	48.4 Å²	48.4	46%	0.455	30%	0.302	S	S	.	.	S	Bend	trans	-68.4	-21	177.7	27.3	-35.1	0	0	0	113.7	F119	F119-P135 WeakPolarHBondContact CE2-O 3.48Å
136	N	97.2	Very high	81.5	Confident	19 Å²	19	48.7 Å²	48.7	10%	0.102	31%	0.31	C	S	.	.	S	Bend	trans	-154.3	160.2	178.6	57.6	71.1	0	0	0	111.1	N54 Y57 F134 S139 L140 F225	N54-N136 HydrophobicContact CB-CB 4.45Å; Y57-N136 HydrophobicContact CD2-CB 4.28Å; F134-N136 PolarHBondContact O-N 3.42Å; N136-S139 PolarHBondContact ND2-OG 2.9Å; N136-S139 PolarHBondContact O-N 3Å; N136-S139 VanDerWaalsContact OD1-CB 3.3Å; N136-S139 WeakPolarHBondContact OD1-CB 3.36Å; N136-S139 PolarHBondContact OD1-N 3.43Å; N136-S139 PolarHBondContact OD1-OG 3.45Å; N136-L140 PolarHBondContact O-N 3.3Å; N136-F225 VanDerWaalsContact OD1-CE1 3.28Å; N136-F225 WeakPolarHBondContact OD1-CE1 3.27Å; N136-F225 WeakPolarHBondContact OD1-CZ 3.45Å
137	V	97.5	Very high	82.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.3	-39.8	-176.6	176.4	0	0	0	0	113.5	N54 L58 W63 L87 L97 I112 F119 S139 L140 V141	N54-V137 WeakPolarHBondContact OD1-CB 3.4Å; N54-V137 WeakPolarHBondContact OD1-CG2 3.42Å; N54-V137 PolarHBondContact OD1-N 3.39Å; L58-V137 HydrophobicContact CD2-CB 4.19Å; L58-V137 HydrophobicContact CD2-CG1 4.22Å; W63-V137 HydrophobicContact CH2-CG1 4.49Å; L87-V137 HydrophobicContact CD1-CG1 4.12Å; L87-V137 HydrophobicContact CD2-CG1 3.77Å; L97-V137 HydrophobicContact CD1-CG2 3.88Å; I112-V137 HydrophobicContact CD1-CG1 3.92Å; I112-V137 HydrophobicContact CD1-CG2 4.16Å; I112-V137 HydrophobicContact CG2-CG2 4.43Å; F119-V137 HydrophobicContact CB-CG2 4.25Å; F119-V137 HydrophobicContact CD1-CG2 3.65Å; F119-V137 HydrophobicContact CD2-CG2 4.49Å; F119-V137 HydrophobicContact CE1-CG2 4.09Å; F119-V137 HydrophobicContact CG-CG2 3.87Å; V137-S139 VanDerWaalsContact C-N 3.27Å; V137-S139 PolarHBondContact O-N 3.16Å; V137-L140 VanDerWaalsContact O-CB 3.32Å; V137-L140 WeakPolarHBondContact O-CB 3.39Å; V137-L140 PolarHBondContact O-N 3.46Å; V137-L140 VanDerWaalsContact O-N 3.13Å; V137-V141 HydrophobicContact CG1-CG2 4.14Å; V137-V141 WeakPolarHBondContact O-CG2 3.44Å; V137-V141 PolarHBondContact O-N 3.48Å
138	P	96.9	Very high	82.4	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.2	-39	174.2	-27.6	36.1	0	0	0	113.3	L58 W63 V141 Q142 F225	L58-P138 HydrophobicContact CD2-CG 4.44Å; W63-P138 HydrophobicContact CH2-CB 4.5Å; W63-P138 HydrophobicContact CH2-CG 4.23Å; W63-P138 HydrophobicContact CZ2-CB 4.33Å; W63-P138 HydrophobicContact CZ2-CG 4.31Å; P138-V141 PolarHBondContact O-N 3.16Å; P138-Q142 WeakPolarHBondContact O-CB 3.35Å; P138-Q142 PolarHBondContact O-N 3.34Å; P138-F225 HydrophobicContact CB-CB 4.15Å; P138-F225 HydrophobicContact CB-CD1 3.75Å; P138-F225 HydrophobicContact CB-CD2 3.56Å; P138-F225 HydrophobicContact CB-CE1 4Å; P138-F225 HydrophobicContact CB-CE2 3.81Å; P138-F225 HydrophobicContact CB-CG 3.52Å; P138-F225 HydrophobicContact CB-CZ 4.02Å; P138-F225 HydrophobicContact CG-CD2 4.05Å; P138-F225 HydrophobicContact CG-CE2 3.95Å; P138-F225 HydrophobicContact CG-CG 4.49Å; P138-F225 HydrophobicContact CG-CZ 4.32Å
139	S	95.6	Very high	82.4	Confident	33 Å²	33	49.3 Å²	49.3	23%	0.231	29%	0.293	C	S	.	.	H	α-helix	trans	-65.4	-42.1	175.2	-56.2	0	0	0	0	111.9	N136 V137 Q142 H143 F225	N136-S139 PolarHBondContact ND2-OG 2.9Å; N136-S139 PolarHBondContact O-N 3Å; N136-S139 VanDerWaalsContact OD1-CB 3.3Å; N136-S139 WeakPolarHBondContact OD1-CB 3.36Å; N136-S139 PolarHBondContact OD1-N 3.43Å; N136-S139 PolarHBondContact OD1-OG 3.45Å; V137-S139 VanDerWaalsContact C-N 3.27Å; V137-S139 PolarHBondContact O-N 3.16Å; S139-Q142 PolarHBondContact O-N 3.06Å; S139-H143 PolarHBondContact O-N 3.33Å; S139-F225 WeakPolarHBondContact OG-CE1 3.32Å
140	L	94.8	Very high	82.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.6	-52.3	173.6	-178.1	159.8	0	0	0	110.4	I112 F119 L121 F134 N136 V137 Q142 H143 Y144	I112-L140 HydrophobicContact CG2-CD1 4.41Å; F119-L140 HydrophobicContact CB-CD1 4.29Å; L121-L140 HydrophobicContact CD1-CD2 4.21Å; L121-L140 HydrophobicContact CD2-CD1 4.01Å; L121-L140 HydrophobicContact CD2-CD2 3.56Å; L121-L140 HydrophobicContact CD2-CG 4.39Å; L121-L140 HydrophobicContact CG-CD1 4.09Å; L121-L140 HydrophobicContact CG-CD2 3.81Å; L121-L140 HydrophobicContact CG-CG 4.35Å; F134-L140 HydrophobicContact CB-CB 3.96Å; F134-L140 HydrophobicContact CD2-CB 3.44Å; F134-L140 VanDerWaalsContact CD2-CB 3.44Å; F134-L140 HydrophobicContact CD2-CD1 3.91Å; F134-L140 HydrophobicContact CD2-CG 3.55Å; F134-L140 HydrophobicContact CE2-CB 4.06Å; F134-L140 HydrophobicContact CE2-CG 3.89Å; F134-L140 HydrophobicContact CG-CB 3.73Å; F134-L140 HydrophobicContact CG-CG 4.35Å; N136-L140 PolarHBondContact O-N 3.3Å; V137-L140 VanDerWaalsContact O-CB 3.32Å; V137-L140 WeakPolarHBondContact O-CB 3.39Å; V137-L140 PolarHBondContact O-N 3.46Å; V137-L140 VanDerWaalsContact O-N 3.13Å; L140-Q142 PolarHBondContact O-N 3.06Å; L140-H143 WeakPolarHBondContact O-CB 3.24Å; L140-H143 PolarHBondContact O-N 3.14Å; L140-Y144 HydrophobicContact CD2-CD2 3.84Å; L140-Y144 HydrophobicContact CD2-CE2 4.07Å; L140-Y144 HydrophobicContact CG-CD2 4.22Å; L140-Y144 HydrophobicContact CG-CE2 4.09Å; L140-Y144 VanDerWaalsContact O-CD2 3.22Å; L140-Y144 WeakPolarHBondContact O-CD2 3.22Å; L140-Y144 PolarHBondContact O-N 3.27Å
141	V	94.7	Very high	82	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-47.7	-179.4	168.8	0	0	0	0	110.4	W63 F85 V137 P138 H143 Y144 M145 L179 V227	W63-V141 HydrophobicContact CH2-CG2 4.14Å; W63-V141 HydrophobicContact CZ3-CG2 4.33Å; F85-V141 HydrophobicContact CE1-CG1 4.21Å; F85-V141 HydrophobicContact CE2-CG1 3.63Å; F85-V141 HydrophobicContact CE2-CG2 4.5Å; F85-V141 HydrophobicContact CZ-CG1 3.38Å; V137-V141 HydrophobicContact CG1-CG2 4.14Å; V137-V141 WeakPolarHBondContact O-CG2 3.44Å; V137-V141 PolarHBondContact O-N 3.48Å; P138-V141 PolarHBondContact O-N 3.16Å; V141-H143 VanDerWaalsContact C-N 3.28Å; V141-H143 PolarHBondContact O-N 3.25Å; V141-Y144 PolarHBondContact O-N 2.91Å; V141-M145 HydrophobicContact CG1-CG 4.21Å; V141-M145 HydrophobicContact CG1-SD 3.7Å; V141-M145 VanDerWaalsContact O-CG 3.31Å; V141-M145 WeakPolarHBondContact O-CG 3.41Å; V141-M145 PolarHBondContact O-N 3Å; V141-L179 HydrophobicContact CG1-CD1 4.24Å; V141-V227 HydrophobicContact CG1-CG1 4.14Å; V141-V227 HydrophobicContact CG1-CG2 4.11Å
142	Q	92.6	Very high	80.8	Confident	60 Å²	60	52.1 Å²	52.1	28%	0.28	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-36.5	179.9	-172.3	173	-54	0	0	112.5	P138 S139 L140 M145 G146 V227	P138-Q142 WeakPolarHBondContact O-CB 3.35Å; P138-Q142 PolarHBondContact O-N 3.34Å; S139-Q142 PolarHBondContact O-N 3.06Å; L140-Q142 PolarHBondContact O-N 3.06Å; Q142-M145 PolarHBondContact O-N 2.78Å; Q142-G146 PolarHBondContact O-N 3.36Å; Q142-V227 HydrophobicContact CB-CG1 4.46Å
143	H	90.7	Very high	79.3	Confident	82 Å²	82	54 Å²	54	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-49.8	174.9	177.1	92.4	0	0	0	111.9	F134 S139 L140 V141 M145 G146 A147	F134-H143 HydrophobicContact CE1-CB 3.53Å; F134-H143 AromaticContact CE1-CG 3.77Å; F134-H143 HydrophobicContact CE2-CB 4.44Å; F134-H143 HydrophobicContact CZ-CB 3.43Å; F134-H143 VanDerWaalsContact CZ-CB 3.43Å; F134-H143 AromaticContact CZ-CD2 3.63Å; F134-H143 AromaticContact CZ-CG 3.37Å; F134-H143 AromaticContact CZ-ND1 3.89Å; S139-H143 PolarHBondContact O-N 3.33Å; L140-H143 WeakPolarHBondContact O-CB 3.24Å; L140-H143 PolarHBondContact O-N 3.14Å; V141-H143 VanDerWaalsContact C-N 3.28Å; V141-H143 PolarHBondContact O-N 3.25Å; H143-M145 VanDerWaalsContact C-N 3.28Å; H143-M145 PolarHBondContact O-N 2.86Å; H143-G146 PolarHBondContact O-N 3.45Å; H143-A147 PolarHBondContact O-N 2.78Å
144	Y	88.5	Confident	77.5	Confident	29 Å²	29	58 Å²	58	11%	0.114	29%	0.288	C	S	.	.	H	α-helix	trans	-74.2	-16.5	-180	-70.7	-73.5	0	0	0	113.6	L121 L131 F134 L140 V141 L177	L121-Y144 HydrophobicContact CD1-CD2 3.83Å; L121-Y144 HydrophobicContact CD1-CE1 4.42Å; L121-Y144 HydrophobicContact CD1-CE2 3.56Å; L121-Y144 HydrophobicContact CD1-CG 4.39Å; L121-Y144 HydrophobicContact CG-CE2 4.06Å; L131-Y144 HydrophobicContact CD2-CE1 4.48Å; L131-Y144 VanDerWaalsContact CD2-OH 3.3Å; L131-Y144 WeakPolarHBondContact CD2-OH 3.4Å; F134-Y144 AromaticContact CE2-CE2 3.97Å; F134-Y144 HydrophobicContact CE2-CE2 3.97Å; L140-Y144 HydrophobicContact CD2-CD2 3.84Å; L140-Y144 HydrophobicContact CD2-CE2 4.07Å; L140-Y144 HydrophobicContact CG-CD2 4.22Å; L140-Y144 HydrophobicContact CG-CE2 4.09Å; L140-Y144 VanDerWaalsContact O-CD2 3.22Å; L140-Y144 WeakPolarHBondContact O-CD2 3.22Å; L140-Y144 PolarHBondContact O-N 3.27Å; V141-Y144 PolarHBondContact O-N 2.91Å; Y144-L177 HydrophobicContact CD1-CD2 4.46Å; Y144-L177 HydrophobicContact CG-CD2 4.41Å
145	M	88.7	Confident	75.7	Confident	50 Å²	50	64.6 Å²	64.6	25%	0.246	31%	0.312	C	S	.	.	H	α-helix	trans	-77.9	-37.8	166.7	-70.1	177.3	76.5	0	0	112.6	F85 V141 Q142 H143 L179 K180 V227	F85-M145 HydrophobicContact CE1-CE 4.17Å; F85-M145 HydrophobicContact CE1-CG 4.29Å; F85-M145 HydrophobicContact CE1-SD 3.78Å; F85-M145 HydrophobicContact CZ-SD 3.87Å; V141-M145 HydrophobicContact CG1-CG 4.21Å; V141-M145 HydrophobicContact CG1-SD 3.7Å; V141-M145 VanDerWaalsContact O-CG 3.31Å; V141-M145 WeakPolarHBondContact O-CG 3.41Å; V141-M145 PolarHBondContact O-N 3Å; Q142-M145 PolarHBondContact O-N 2.78Å; H143-M145 VanDerWaalsContact C-N 3.28Å; H143-M145 PolarHBondContact O-N 2.86Å; M145-L179 WeakPolarHBondContact CA-O 3.34Å; M145-L179 HydrophobicContact CB-CB 4.45Å; M145-L179 HydrophobicContact CG-CB 3.48Å; M145-L179 VanDerWaalsContact CG-CB 3.48Å; M145-K180 VanDerWaalsContact CE-O 3.29Å; M145-K180 WeakPolarHBondContact CE-O 3.47Å; M145-V227 HydrophobicContact CE-CG2 4.03Å; M145-V227 HydrophobicContact SD-CB 3.95Å; M145-V227 HydrophobicContact SD-CG2 3.44Å; M145-V227 WeakPolarHBondContact SD-CG2 3.39Å
146	G	71.1	Confident	73.6	Confident	37 Å²	37	64.5 Å²	64.5	38%	0.381	32%	0.317	S	S	.	.	H	α-helix	trans	-84.1	-18.9	-175.7	0	0	0	0	0	115.3	Q142 H143 E148 R149	Q142-G146 PolarHBondContact O-N 3.36Å; H143-G146 PolarHBondContact O-N 3.45Å; G146-E148 PolarHBondContact O-N 2.78Å; G146-R149 PolarHBondContact O-N 3.27Å
147	A	60.8	Low	71.5	Confident	47 Å²	47	70.8 Å²	70.8	39%	0.388	35%	0.346	S	S	.	.	H	α-helix	trans	-59.6	-34.9	178.7	0	0	0	0	0	112.6	H143	H143-A147 PolarHBondContact O-N 2.78Å
148	E	55.6	Low	69.3	Low	50 Å²	50	77.8 Å²	77.8	23%	0.234	38%	0.379	C	S	.	.	H	α-helix	trans	-75.8	-36.9	179.8	-65.6	-74.5	111.6	0	0	112.5	G146 K150 A151 E152	G146-E148 PolarHBondContact O-N 2.78Å; E148-K150 PolarHBondContact O-N 3.37Å; E148-A151 CarbonylContact O-C 3.55Å; E148-A151 WeakPolarHBondContact O-CA 3.14Å; E148-A151 PolarHBondContact O-N 3.13Å; E148-E152 WeakPolarHBondContact O-CB 2.96Å; E148-E152 PolarHBondContact O-N 2.93Å
149	R	52.6	Low	67	Low	180 Å²	180	85.1 Å²	85.1	68%	0.679	41%	0.413	S	S	*	.	H	α-helix	trans	-56.1	-42.9	179.7	-166.9	-175.3	-171.3	-140	4.5	111.1	G146 A151 E153	G146-R149 PolarHBondContact O-N 3.27Å; R149-A151 VanDerWaalsContact C-N 3.29Å; R149-A151 PolarHBondContact O-N 3.08Å; R149-E153 HydrophobicContact CG-CG 4.43Å; R149-E153 WeakPolarHBondContact CG-OE1 2.9Å; R149-E153 IonicContact CZ-OE1 3.38Å; R149-E153 IonicContact NE-OE1 3.82Å; R149-E153 PolarHBondContact NE-OE1 3.41Å; R149-E153 IonicContact NH1-OE1 3.18Å; R149-E153 IonicContact NH2-OE1 3.84Å; R149-E153 WeakPolarHBondContact O-CB 3.31Å; R149-E153 WeakPolarHBondContact O-CG 3.3Å; R149-E153 PolarHBondContact O-N 3.45Å
150	K	49.7	Very low	64.8	Low	136 Å²	136	88 Å²	88	59%	0.591	44%	0.439	S	S	*	.	H	α-helix	trans	-70.2	-21	176.1	-68.9	-171.6	176	-173.1	0	114.1	E148 R154	E148-K150 PolarHBondContact O-N 3.37Å; K150-R154 VanDerWaalsContact O-CG 3.3Å; K150-R154 WeakPolarHBondContact O-CG 3.45Å; K150-R154 PolarHBondContact O-NE 2.87Å
151	A	49.8	Very low	62.7	Low	35 Å²	35	91.5 Å²	91.5	29%	0.289	47%	0.468	S	S	.	.	H	α-helix	trans	-92.1	-36	179	0	0	0	0	0	111.7	E148 R149 R155	E148-A151 CarbonylContact O-C 3.55Å; E148-A151 WeakPolarHBondContact O-CA 3.14Å; E148-A151 PolarHBondContact O-N 3.13Å; R149-A151 VanDerWaalsContact C-N 3.29Å; R149-A151 PolarHBondContact O-N 3.08Å; A151-R155 WeakPolarHBondContact O-CB 3.46Å; A151-R155 VanDerWaalsContact O-CG 3.3Å; A151-R155 WeakPolarHBondContact O-CG 3.46Å; A151-R155 PolarHBondContact O-N 2.82Å
152	E	52.2	Low	60.2	Low	129 Å²	129	98 Å²	98	60%	0.603	51%	0.51	S	S	*	.	H	α-helix	trans	-73.4	-39	175	-165	163.6	-157.2	0	0	111.4	E148 R154 R155 A156	E148-E152 WeakPolarHBondContact O-CB 2.96Å; E148-E152 PolarHBondContact O-N 2.93Å; E152-R154 VanDerWaalsContact C-N 3.33Å; E152-R154 PolarHBondContact O-N 2.84Å; E152-R155 PolarHBondContact O-N 2.9Å; E152-A156 WeakPolarHBondContact O-CB 3.09Å; E152-A156 PolarHBondContact O-N 2.87Å
153	E	52.5	Low	57.8	Low	86 Å²	86	99.8 Å²	99.8	40%	0.402	54%	0.535	S	S	.	.	H	α-helix	trans	-57.8	-44.4	168.8	-76.8	165.8	175.4	0	0	111.2	R149 A156 E157	R149-E153 HydrophobicContact CG-CG 4.43Å; R149-E153 WeakPolarHBondContact CG-OE1 2.9Å; R149-E153 IonicContact CZ-OE1 3.38Å; R149-E153 IonicContact NE-OE1 3.82Å; R149-E153 PolarHBondContact NE-OE1 3.41Å; R149-E153 IonicContact NH1-OE1 3.18Å; R149-E153 IonicContact NH2-OE1 3.84Å; R149-E153 WeakPolarHBondContact O-CB 3.31Å; R149-E153 WeakPolarHBondContact O-CG 3.3Å; R149-E153 PolarHBondContact O-N 3.45Å; E153-A156 PolarHBondContact O-N 2.83Å; E153-E157 WeakPolarHBondContact O-CG 3.5Å; E153-E157 PolarHBondContact O-N 3.16Å; E153-E157 VanDerWaalsContact O-N 3.08Å
154	R	54.9	Low	55.1	Low	153 Å²	153	105.5 Å²	105.5	58%	0.577	56%	0.559	S	S	*	*	H	α-helix	trans	-65.9	-39	176	-78.4	-175	-109.2	-137.3	4.2	113.5	K150 E152 E157 E158	K150-R154 VanDerWaalsContact O-CG 3.3Å; K150-R154 WeakPolarHBondContact O-CG 3.45Å; K150-R154 PolarHBondContact O-NE 2.87Å; E152-R154 VanDerWaalsContact C-N 3.33Å; E152-R154 PolarHBondContact O-N 2.84Å; R154-E157 PolarHBondContact O-N 3.09Å; R154-E158 PolarHBondContact O-N 3.48Å
155	R	56.8	Low	52.9	Low	161 Å²	161	110.3 Å²	110.3	61%	0.608	59%	0.594	S	S	*	*	H	α-helix	trans	-70.7	-33.2	176.6	-75.7	174.9	178.7	-179.4	1.1	112.8	A151 E152 E157 E158 Q159	A151-R155 WeakPolarHBondContact O-CB 3.46Å; A151-R155 VanDerWaalsContact O-CG 3.3Å; A151-R155 WeakPolarHBondContact O-CG 3.46Å; A151-R155 PolarHBondContact O-N 2.82Å; E152-R155 PolarHBondContact O-N 2.9Å; R155-E157 VanDerWaalsContact C-N 3.33Å; R155-E158 PolarHBondContact O-N 3.45Å; R155-Q159 WeakPolarHBondContact O-CB 3.2Å; R155-Q159 VanDerWaalsContact O-CD 3.3Å; R155-Q159 WeakPolarHBondContact O-CG 3.38Å; R155-Q159 PolarHBondContact O-N 3.35Å
156	A	53.1	Low	50.4	Low	67 Å²	67	113.7 Å²	113.7	55%	0.554	62%	0.622	S	S	*	*	H	α-helix	trans	-68.8	-33.7	173.7	0	0	0	0	0	111.6	E152 E153	E152-A156 WeakPolarHBondContact O-CB 3.09Å; E152-A156 PolarHBondContact O-N 2.87Å; E153-A156 PolarHBondContact O-N 2.83Å
157	E	53.6	Low	48.7	Very low	152 Å²	152	120.9 Å²	120.9	71%	0.71	65%	0.646	S	S	*	*	H	α-helix	trans	-72	-35.8	172	-74.5	171	164.9	0	0	112.7	E153 R154 R155	E153-E157 WeakPolarHBondContact O-CG 3.5Å; E153-E157 PolarHBondContact O-N 3.16Å; E153-E157 VanDerWaalsContact O-N 3.08Å; R154-E157 PolarHBondContact O-N 3.09Å; R155-E157 VanDerWaalsContact C-N 3.33Å
158	E	50.4	Low	47.9	Very low	147 Å²	147	124.4 Å²	124.4	69%	0.687	67%	0.665	S	S	*	*	H	α-helix	trans	-79.2	-17.9	177.9	-82	172.8	146.6	0	0	114.5	R154 R155 A160	R154-E158 PolarHBondContact O-N 3.48Å; R155-E158 PolarHBondContact O-N 3.45Å; E158-A160 PolarHBondContact O-N 3.5Å
159	Q	49.3	Very low	47	Very low	153 Å²	153	128.1 Å²	128.1	72%	0.715	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	5.5	178.7	-80.5	165.3	14.2	0	0	114.5	R155 A161	R155-Q159 WeakPolarHBondContact O-CB 3.2Å; R155-Q159 VanDerWaalsContact O-CD 3.3Å; R155-Q159 WeakPolarHBondContact O-CG 3.38Å; R155-Q159 PolarHBondContact O-N 3.35Å; Q159-A161 VanDerWaalsContact C-N 3.29Å
160	A	48.9	Very low	46.4	Very low	95 Å²	95	123.6 Å²	123.6	79%	0.785	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	0.2	169.2	0	0	0	0	0	114	E158	E158-A160 PolarHBondContact O-N 3.5Å
161	A	49.7	Very low	46.2	Very low	73 Å²	73	125.8 Å²	125.8	60%	0.603	71%	0.707	S	S	*	*	S	Bend	trans	-117.7	138.6	177.4	0	0	0	0	0	112.1	Q159	Q159-A161 VanDerWaalsContact C-N 3.29Å
162	P	42.2	Very low	45.5	Very low	136 Å²	136	133.1 Å²	133.1	88%	0.883	74%	0.735	S	S	*	*			trans	-77	144.5	-166.7	31.4	-35.6	0	0	0	113.9
163	A	42.4	Very low	44.8	Very low	98 Å²	98	131.1 Å²	131.1	81%	0.81	74%	0.741	S	S	*	*			trans	-75.2	157.3	-169.4	0	0	0	0	0	116.1
164	K	34.3	Very low	44.4	Very low	202 Å²	202	130.9 Å²	130.9	88%	0.878	75%	0.748	S	S	*	*			trans	-124.6	144	151.3	-84	-170.6	177.1	-179.1	0	110.4
165	P	42.3	Very low	44.3	Very low	130 Å²	130	126.7 Å²	126.7	84%	0.844	74%	0.74	S	S	*	*			trans	-89.3	137	-177.9	33.9	-30	0	0	0	111.5
166	S	36.2	Very low	44.6	Very low	120 Å²	120	123 Å²	123	84%	0.839	74%	0.735	S	S	*	*			trans	-141.3	134.6	165.3	52.9	0	0	0	0	110.6
167	E	35.8	Very low	45.7	Very low	188 Å²	188	121.2 Å²	121.2	88%	0.879	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-57.7	162.7	-171.5	-69.6	177.4	156.7	0	0	115.7
168	P	43.8	Very low	46.9	Very low	122 Å²	122	117.2 Å²	117.2	79%	0.792	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-87.2	136.5	-167	33.2	-30.8	0	0	0	112.6
169	P	37.6	Very low	48.8	Very low	127 Å²	127	110.3 Å²	110.3	83%	0.825	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-82.9	125.8	159.9	30.9	-26.5	0	0	0	109.5
170	A	38.7	Very low	50.9	Low	85 Å²	85	108.4 Å²	108.4	70%	0.702	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-70.4	137.4	170.6	0	0	0	0	0	111.2
171	Q	45.2	Very low	53	Low	183 Å²	183	110.7 Å²	110.7	86%	0.855	64%	0.641	S	S	*	*	S	Bend	trans	63.4	103.7	153.3	-65.5	160.4	-11.7	0	0	115
172	E	35.7	Very low	55.2	Low	189 Å²	189	107.7 Å²	107.7	88%	0.883	62%	0.617	S	S	*	*				-139.6	115.2	51.4	-67.6	174.2	157.3	0	0	109.9	S174	E172-S174 PolarHBondContact O-N 2.85Å
173	A	37.1	Very low	57.7	Low	87 Å²	87	102.7 Å²	102.7	72%	0.719	58%	0.583	S	S	*	*			trans	-67.6	94.1	-179.6	0	0	0	0	0	109.9	V175	A173-V175 PolarHBondContact O-N 3.42Å
174	S	45	Very low	60.2	Low	81 Å²	81	101.2 Å²	101.2	57%	0.566	56%	0.557	S	S	*	*			trans	-56	108.9	168.3	60.8	0	0	0	0	108.2	E172 V176	E172-S174 PolarHBondContact O-N 2.85Å; S174-V176 VanDerWaalsContact C-N 3.35Å; S174-V176 PolarHBondContact O-N 2.76Å
175	V	52.7	Low	62.9	Low	65 Å²	65	94.4 Å²	94.4	39%	0.394	53%	0.528	S	S	.	.			trans	-72.6	97.2	175.9	-178.4	0	0	0	0	106.5	T103 A173 L177	T103-V175 HydrophobicContact CG2-CG1 3.8Å; A173-V175 PolarHBondContact O-N 3.42Å; V175-L177 PolarHBondContact O-N 3.43Å
176	V	62.6	Low	64.9	Low	83 Å²	83	92 Å²	92	50%	0.503	51%	0.512	S	S	.	.			trans	-59.2	126.8	168.7	-179.2	0	0	0	0	107.1	S174 K178	S174-V176 VanDerWaalsContact C-N 3.35Å; S174-V176 PolarHBondContact O-N 2.76Å; V176-K178 HydrophobicContact CG1-CG 4.41Å; V176-K178 PolarHBondContact O-N 3.48Å
177	L	76.1	Confident	67.1	Low	29 Å²	29	93.7 Å²	93.7	15%	0.152	51%	0.507	C	S	.	.			trans	-68.3	102.5	176	176.8	61.6	0	0	0	108.5	V101 I110 L121 Y144 V175 L179	V101-L177 HydrophobicContact CB-CD1 4.46Å; V101-L177 HydrophobicContact CG1-CD1 3.8Å; V101-L177 HydrophobicContact CG2-CD1 4.4Å; I110-L177 HydrophobicContact CD1-CD1 3.43Å; I110-L177 VanDerWaalsContact CD1-CD1 3.43Å; I110-L177 HydrophobicContact CD1-CD2 4.03Å; I110-L177 HydrophobicContact CD1-CG 4.28Å; L121-L177 HydrophobicContact CD1-CD2 3.26Å; Y144-L177 HydrophobicContact CD1-CD2 4.46Å; Y144-L177 HydrophobicContact CG-CD2 4.41Å; V175-L177 PolarHBondContact O-N 3.43Å; L177-L179 HydrophobicContact CD1-CD2 3.9Å; L177-L179 HydrophobicContact CD1-CG 4.43Å; L177-L179 HydrophobicContact CG-CD2 4.3Å; L177-L179 HydrophobicContact CG-CG 4.3Å
178	K	79.3	Confident	69.3	Low	69 Å²	69	89 Å²	89	30%	0.3	49%	0.488	S	S	.	.			trans	-101.2	110.5	177.1	-64.7	177.4	-173.2	170.1	0	109.2	E82 G83 V176	E82-K178 IonicContact OE1-NZ 3.47Å; E82-K178 PolarHBondContact OE1-NZ 2.89Å; G83-K178 WeakPolarHBondContact CA-O 3.27Å; V176-K178 HydrophobicContact CG1-CG 4.41Å; V176-K178 PolarHBondContact O-N 3.48Å
179	L	91	Very high	71.3	Confident	2 Å²	2	89 Å²	89	1%	0.01	48%	0.48	C	S	.	.			trans	-100.9	125.3	170.3	-57.6	-175.6	0	0	0	108.5	F85 L99 V101 V141 M145 L177	F85-L179 HydrophobicContact CB-CD2 3.95Å; F85-L179 HydrophobicContact CD1-CB 4.08Å; F85-L179 HydrophobicContact CD1-CD2 4.03Å; F85-L179 HydrophobicContact CE1-CB 4.25Å; F85-L179 HydrophobicContact CG-CD2 4.05Å; L99-L179 HydrophobicContact CD2-CD1 4.02Å; L99-L179 HydrophobicContact CD2-CD2 4.06Å; V101-L179 HydrophobicContact CB-CD2 4.21Å; V101-L179 HydrophobicContact CG2-CD2 3.76Å; V141-L179 HydrophobicContact CG1-CD1 4.24Å; M145-L179 WeakPolarHBondContact CA-O 3.34Å; M145-L179 HydrophobicContact CB-CB 4.45Å; M145-L179 HydrophobicContact CG-CB 3.48Å; M145-L179 VanDerWaalsContact CG-CB 3.48Å; L177-L179 HydrophobicContact CD1-CD2 3.9Å; L177-L179 HydrophobicContact CD1-CG 4.43Å; L177-L179 HydrophobicContact CG-CD2 4.3Å; L177-L179 HydrophobicContact CG-CG 4.3Å
180	K	92	Very high	73.8	Confident	112 Å²	112	84 Å²	84	49%	0.487	45%	0.448	S	S	.	.			trans	-124.2	-44.6	-178.1	-65.3	-170.4	178.1	-170.7	0	112.5	G83 M145	G83-K180 PolarHBondContact O-N 3.19Å; M145-K180 VanDerWaalsContact CE-O 3.29Å; M145-K180 WeakPolarHBondContact CE-O 3.47Å
181	R	93.2	Very high	76.5	Confident	143 Å²	143	83 Å²	83	54%	0.54	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	130.6	-173.5	-171.4	173.1	70.6	179.6	5.9	112.2	G83 A84 F85	G83-R181 PolarHBondContact O-N 2.88Å; A84-R181 CarbonylContact C-O 3.55Å; A84-R181 VanDerWaalsContact CA-O 3.24Å; A84-R181 WeakPolarHBondContact CA-O 3.5Å; F85-R181 WeakPolarHBondContact CD1-O 3.32Å; F85-R181 VanDerWaalsContact CE1-C 3.42Å; F85-R181 PolarHBondContact N-O 2.83Å
182	A	95.5	Very high	78.9	Confident	11 Å²	11	80.8 Å²	80.8	9%	0.091	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	137.3	172.1	0	0	0	0	0	110.5	W63 F85 V227	W63-A182 HydrophobicContact CB-CB 3.65Å; W63-A182 HydrophobicContact CG-CB 3.65Å; F85-A182 HydrophobicContact CE1-CB 4.09Å; F85-A182 HydrophobicContact CE2-CB 3.97Å; F85-A182 HydrophobicContact CZ-CB 3.58Å; F85-A182 CarbonylContact O-C 3.56Å; A182-V227 HydrophobicContact CB-CG2 4.26Å
183	V	96.3	Very high	81.7	Confident	30 Å²	30	78.2 Å²	78.2	18%	0.182	42%	0.418	C	S	.	.			trans	-97.2	114.8	173.4	-172.4	0	0	0	0	108.1	W65 L77 A84 F85 L86	W65-V183 HydrophobicContact CZ2-CB 4.5Å; W65-V183 HydrophobicContact CZ2-CG1 3.82Å; W65-V183 PolarHBondContact NE1-O 2.8Å; L77-V183 HydrophobicContact CD2-CG2 3.8Å; A84-V183 HydrophobicContact CB-CG2 3.87Å; F85-V183 PolarHBondContact O-N 3.31Å; L86-V183 HydrophobicContact CB-CB 4.48Å
184	Y	94.7	Very high	84.5	Confident	67 Å²	67	74.5 Å²	74.5	26%	0.263	39%	0.385	S	S	.	.			trans	-75.5	145.6	179.5	-61.9	-56.6	0	0	0	111.8	G62 W63 W65 P186 P190	G62-Y184 WeakPolarHBondContact O-CA 3.46Å; W63-Y184 HydrophobicContact CB-CD1 4.22Å; W63-Y184 HydrophobicContact CB-CE1 4.45Å; W63-Y184 AromaticContact CD1-CE1 3.97Å; W65-Y184 WeakPolarHBondContact CZ2-O 3.43Å; Y184-P186 WeakPolarHBondContact O-CD 3.29Å; Y184-P190 HydrophobicContact CD1-CG 3.61Å; Y184-P190 HydrophobicContact CD2-CG 4.18Å; Y184-P190 HydrophobicContact CE1-CG 3.61Å; Y184-P190 HydrophobicContact CE2-CG 4.19Å; Y184-P190 HydrophobicContact CG-CG 3.91Å
185	K	89.4	Confident	86.9	Confident	59 Å²	59	73.8 Å²	73.8	26%	0.257	38%	0.375	S	S	.	.			trans	-65.2	125.1	175.6	-175.6	174.3	-176	167.2	0	109.5	G62 W65 Q187 N188	G62-K185 PolarHBondContact O-N 2.74Å; W65-K185 HydrophobicContact CD2-CB 4.38Å; W65-K185 HydrophobicContact CD2-CG 4.5Å; W65-K185 HydrophobicContact CG-CB 4.41Å; W65-K185 PolarHBondContact O-NZ 2.85Å; K185-Q187 VanDerWaalsContact CE-OE1 3.29Å; K185-Q187 PolarHBondContact O-N 2.73Å; K185-Q187 VanDerWaalsContact O-N 3.16Å; K185-N188 HydrophobicContact CB-CB 4.29Å; K185-N188 HydrophobicContact CD-CB 4.21Å; K185-N188 HydrophobicContact CG-CB 4.4Å; K185-N188 CarbonylContact O-C 3.58Å; K185-N188 VanDerWaalsContact O-C 3.3Å; K185-N188 PolarHBondContact O-N 2.93Å
186	P	86	Confident	88.9	Confident	80 Å²	80	74 Å²	74	52%	0.519	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.2	-175.9	-27.7	34.6	0	0	0	114.4	W65 Y184 N188	W65-P186 HydrophobicContact CH2-CG 4.25Å; Y184-P186 WeakPolarHBondContact O-CD 3.29Å; P186-N188 VanDerWaalsContact C-N 3.33Å
187	Q	82.1	Confident	90.6	Very high	155 Å²	155	70.2 Å²	70.2	72%	0.724	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-2.7	179.5	-50.7	91.1	29.1	0	0	113.8	K185	K185-Q187 VanDerWaalsContact CE-OE1 3.29Å; K185-Q187 PolarHBondContact O-N 2.73Å; K185-Q187 VanDerWaalsContact O-N 3.16Å
188	N	81.4	Confident	91.5	Very high	89 Å²	89	69 Å²	69	48%	0.476	35%	0.346	S	S	.	.	S	Bend	trans	-143.6	66.9	-176.6	-168.2	19.8	0	0	0	110	K185 P186	K185-N188 HydrophobicContact CB-CB 4.29Å; K185-N188 HydrophobicContact CD-CB 4.21Å; K185-N188 HydrophobicContact CG-CB 4.4Å; K185-N188 CarbonylContact O-C 3.58Å; K185-N188 VanDerWaalsContact O-C 3.3Å; K185-N188 PolarHBondContact O-N 2.93Å; P186-N188 VanDerWaalsContact C-N 3.33Å
189	L	86.6	Confident	92.2	Very high	122 Å²	122	69.3 Å²	69.3	64%	0.639	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-69.8	140.9	177.1	-64.9	175.6	0	0	0	110	S191	L189-S191 PolarHBondContact O-N 3.28Å
190	P	89.9	Confident	92.5	Very high	24 Å²	24	71.5 Å²	71.5	16%	0.156	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-59.6	140.4	177.3	-20.9	30.5	0	0	0	111.8	Y184 H194 L195	Y184-P190 HydrophobicContact CD1-CG 3.61Å; Y184-P190 HydrophobicContact CD2-CG 4.18Å; Y184-P190 HydrophobicContact CE1-CG 3.61Å; Y184-P190 HydrophobicContact CE2-CG 4.19Å; Y184-P190 HydrophobicContact CG-CG 3.91Å; P190-H194 HydrophobicContact CB-CB 4.33Å; P190-L195 HydrophobicContact CB-CD2 3.86Å; P190-L195 HydrophobicContact CB-CG 4.08Å; P190-L195 HydrophobicContact CG-CD2 4.24Å
191	S	93.8	Very high	92.6	Very high	64 Å²	64	66.5 Å²	66.5	45%	0.448	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-65.6	155.7	173.5	72.4	0	0	0	0	111.3	L189 Q193 H194 L195	L189-S191 PolarHBondContact O-N 3.28Å; S191-Q193 PolarHBondContact O-N 3.14Å; S191-H194 WeakPolarHBondContact O-CB 3.42Å; S191-H194 PolarHBondContact O-N 3.35Å; S191-H194 PolarHBondContact OG-N 2.92Å; S191-L195 WeakPolarHBondContact O-CG 3.42Å; S191-L195 PolarHBondContact O-N 2.97Å
192	L	95.7	Very high	92.6	Very high	136 Å²	136	65.6 Å²	65.6	71%	0.712	34%	0.34	S	S	*	.	H	α-helix	trans	-56.5	-34	174.2	-177.1	64.7	0	0	0	112.2	L195 T196	L192-L195 PolarHBondContact O-N 3.44Å; L192-T196 WeakPolarHBondContact O-CB 3.5Å; L192-T196 PolarHBondContact O-N 3.18Å; L192-T196 PolarHBondContact O-OG1 3.3Å
193	Q	95.8	Very high	92.4	Very high	135 Å²	135	72.9 Å²	72.9	63%	0.631	37%	0.372	S	S	*	.	H	α-helix	trans	-62	-46.4	174.6	-67.4	-179.2	-7.9	0	0	111.1	S191 T196 R197 F219	S191-Q193 PolarHBondContact O-N 3.14Å; Q193-T196 PolarHBondContact O-N 3.03Å; Q193-R197 PolarHBondContact O-N 3.1Å; Q193-F219 HydrophobicContact CB-CE1 4.14Å; Q193-F219 HydrophobicContact CB-CZ 3.88Å
194	H	95.4	Very high	92	Very high	8 Å²	8	72.7 Å²	72.7	4%	0.037	37%	0.372	C	S	.	.	H	α-helix	trans	-63.6	-45.4	176.5	-178.6	87.4	0	0	0	111.9	N60 P190 S191 T196 R197 L198 Y223	N60-H194 PolarHBondContact O-CE1 2.85Å; N60-H194 PolarHBondContact O-ND1 3.21Å; N60-H194 VanDerWaalsContact O-ND1 3.16Å; P190-H194 HydrophobicContact CB-CB 4.33Å; S191-H194 WeakPolarHBondContact O-CB 3.42Å; S191-H194 PolarHBondContact O-N 3.35Å; S191-H194 PolarHBondContact OG-N 2.92Å; H194-T196 VanDerWaalsContact C-N 3.3Å; H194-T196 PolarHBondContact O-N 2.82Å; H194-R197 PolarHBondContact CE1-NH2 3.38Å; H194-R197 VanDerWaalsContact CE1-NH2 3.3Å; H194-R197 PolarHBondContact ND1-NH2 3.34Å; H194-R197 WeakPolarHBondContact O-CA 3.27Å; H194-R197 WeakPolarHBondContact O-CB 3.47Å; H194-R197 PolarHBondContact O-N 2.91Å; H194-R197 VanDerWaalsContact O-N 3.09Å; H194-L198 WeakPolarHBondContact NE2-CD1 3.48Å; H194-L198 WeakPolarHBondContact O-CG 3.37Å; H194-L198 PolarHBondContact O-N 3.14Å; H194-Y223 AromaticContact CE1-CD1 3.95Å; H194-Y223 AromaticContact CE1-CE1 3.93Å
195	L	95.1	Very high	91.4	Very high	67 Å²	67	75 Å²	75	35%	0.351	41%	0.405	S	S	.	.	H	α-helix	trans	-59.1	-43.4	177.5	-65.8	176.1	0	0	0	111.4	P190 S191 L192 R197 L198 V199	P190-L195 HydrophobicContact CB-CD2 3.86Å; P190-L195 HydrophobicContact CB-CG 4.08Å; P190-L195 HydrophobicContact CG-CD2 4.24Å; S191-L195 WeakPolarHBondContact O-CG 3.42Å; S191-L195 PolarHBondContact O-N 2.97Å; L192-L195 PolarHBondContact O-N 3.44Å; L195-R197 PolarHBondContact O-N 2.77Å; L195-L198 PolarHBondContact O-N 3.01Å; L195-V199 WeakPolarHBondContact O-CG2 3.39Å; L195-V199 PolarHBondContact O-N 3.42Å
196	T	96	Very high	91.2	Very high	68 Å²	68	74 Å²	74	42%	0.417	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-43.5	173.9	-56.7	0	0	0	0	111.4	L192 Q193 H194 L198 V199 I200	L192-T196 WeakPolarHBondContact O-CB 3.5Å; L192-T196 PolarHBondContact O-N 3.18Å; L192-T196 PolarHBondContact O-OG1 3.3Å; Q193-T196 PolarHBondContact O-N 3.03Å; H194-T196 VanDerWaalsContact C-N 3.3Å; H194-T196 PolarHBondContact O-N 2.82Å; T196-L198 PolarHBondContact O-N 3.3Å; T196-V199 PolarHBondContact O-N 3.18Å; T196-I200 HydrophobicContact CG2-CD1 3.96Å; T196-I200 HydrophobicContact CG2-CG1 4.49Å; T196-I200 WeakPolarHBondContact O-CG1 3.47Å; T196-I200 PolarHBondContact O-N 2.83Å
197	R	96.4	Very high	91.3	Very high	5 Å²	5	71.1 Å²	71.1	2%	0.019	39%	0.389	C	S	.	.	H	α-helix	trans	-56.7	-45.9	174.1	167.5	172	75.3	-179.7	12	112.1	Q193 H194 L195 V199 I200 N201 F219 L220	Q193-R197 PolarHBondContact O-N 3.1Å; H194-R197 PolarHBondContact CE1-NH2 3.38Å; H194-R197 VanDerWaalsContact CE1-NH2 3.3Å; H194-R197 PolarHBondContact ND1-NH2 3.34Å; H194-R197 WeakPolarHBondContact O-CA 3.27Å; H194-R197 WeakPolarHBondContact O-CB 3.47Å; H194-R197 PolarHBondContact O-N 2.91Å; H194-R197 VanDerWaalsContact O-N 3.09Å; L195-R197 PolarHBondContact O-N 2.77Å; R197-V199 VanDerWaalsContact C-N 3.32Å; R197-V199 PolarHBondContact O-N 3.48Å; R197-I200 PolarHBondContact O-N 2.89Å; R197-N201 WeakPolarHBondContact O-CB 3.33Å; R197-N201 PolarHBondContact O-N 3.46Å; R197-N201 PolarHBondContact O-OD1 2.97Å; R197-F219 HydrophobicContact CB-CD1 4.4Å; R197-F219 HydrophobicContact CB-CE1 3.74Å; R197-F219 HydrophobicContact CB-CZ 4.47Å; R197-F219 WeakPolarHBondContact CD-O 3.49Å; R197-F219 HydrophobicContact CG-CE1 4.39Å; R197-F219 PolarHBondContact NH1-O 3.41Å; R197-L220 HydrophobicContact CB-CD2 3.88Å; R197-L220 HydrophobicContact CG-CD2 3.72Å
198	L	95.1	Very high	91.6	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.016	38%	0.376	C	S	.	.	H	α-helix	trans	-61.1	-41.3	176.6	-63.5	-176.7	0	0	0	112	H194 L195 T196 N201 R202 Y223	H194-L198 WeakPolarHBondContact NE2-CD1 3.48Å; H194-L198 WeakPolarHBondContact O-CG 3.37Å; H194-L198 PolarHBondContact O-N 3.14Å; L195-L198 PolarHBondContact O-N 3.01Å; T196-L198 PolarHBondContact O-N 3.3Å; L198-N201 PolarHBondContact O-N 2.95Å; L198-R202 VanDerWaalsContact O-CG 3.24Å; L198-R202 WeakPolarHBondContact O-CG 3.43Å; L198-R202 PolarHBondContact O-N 2.9Å; L198-Y223 HydrophobicContact CD2-CD1 4.05Å; L198-Y223 HydrophobicContact CD2-CE1 3.62Å
199	V	95.4	Very high	92	Very high	76 Å²	76	72 Å²	72	46%	0.461	39%	0.39	S	S	.	.	H	α-helix	trans	-63.2	-44.8	177.1	173.7	0	0	0	0	110.9	L195 T196 R197 R202 H203	L195-V199 WeakPolarHBondContact O-CG2 3.39Å; L195-V199 PolarHBondContact O-N 3.42Å; T196-V199 PolarHBondContact O-N 3.18Å; R197-V199 VanDerWaalsContact C-N 3.32Å; R197-V199 PolarHBondContact O-N 3.48Å; V199-R202 PolarHBondContact O-N 2.75Å; V199-H203 PolarHBondContact O-N 2.9Å; V199-H203 PolarHBondContact O-ND1 2.97Å
200	I	95.9	Very high	92.3	Very high	48 Å²	48	68.5 Å²	68.5	25%	0.246	37%	0.372	C	S	.	.	H	α-helix	trans	-60.8	-50.3	176.4	-68.8	167.3	0	0	0	110.5	T196 R197 R202 H203 S204 T207 L210 L220	T196-I200 HydrophobicContact CG2-CD1 3.96Å; T196-I200 HydrophobicContact CG2-CG1 4.49Å; T196-I200 WeakPolarHBondContact O-CG1 3.47Å; T196-I200 PolarHBondContact O-N 2.83Å; R197-I200 PolarHBondContact O-N 2.89Å; I200-R202 PolarHBondContact O-N 3.38Å; I200-H203 PolarHBondContact O-N 3.14Å; I200-S204 PolarHBondContact O-N 3.48Å; I200-T207 HydrophobicContact CG2-CG2 4.49Å; I200-L210 HydrophobicContact CG2-CD1 3.55Å; I200-L220 HydrophobicContact CB-CD2 4.36Å; I200-L220 HydrophobicContact CD1-CD2 4.19Å; I200-L220 HydrophobicContact CG2-CD1 4.01Å; I200-L220 HydrophobicContact CG2-CD2 4.22Å
201	N	94.5	Very high	92.6	Very high	7 Å²	7	73.7 Å²	73.7	4%	0.037	41%	0.405	C	S	.	.	H	α-helix	trans	-61.3	-27.3	-178.8	-69.6	-7.7	0	0	0	113	R197 L198 Y223 F225 K226	R197-N201 WeakPolarHBondContact O-CB 3.33Å; R197-N201 PolarHBondContact O-N 3.46Å; R197-N201 PolarHBondContact O-OD1 2.97Å; L198-N201 PolarHBondContact O-N 2.95Å; N201-Y223 PolarHBondContact ND2-O 3.02Å; N201-F225 WeakPolarHBondContact CB-O 3.21Å; N201-F225 PolarHBondContact ND2-N 3.21Å; N201-F225 PolarHBondContact ND2-O 3.31Å; N201-K226 HydrophobicContact CB-CG 4.47Å; N201-K226 VanDerWaalsContact O-CE 3.22Å; N201-K226 WeakPolarHBondContact O-CE 3.47Å
202	R	92.8	Very high	92.7	Very high	124 Å²	124	73.4 Å²	73.4	47%	0.468	40%	0.399	S	S	.	.	H	α-helix	trans	-69	-35.2	174.6	-75.4	166.8	-170.2	173.4	6.4	112.5	L198 V199 I200 K226	L198-R202 VanDerWaalsContact O-CG 3.24Å; L198-R202 WeakPolarHBondContact O-CG 3.43Å; L198-R202 PolarHBondContact O-N 2.9Å; V199-R202 PolarHBondContact O-N 2.75Å; I200-R202 PolarHBondContact O-N 3.38Å; R202-K226 HydrophobicContact CG-CB 3.83Å; R202-K226 HydrophobicContact CG-CD 4.38Å; R202-K226 HydrophobicContact CG-CG 4.16Å; R202-K226 PolarHBondContact NE-O 2.82Å; R202-K226 PolarHBondContact NH2-O 2.99Å
203	H	91.1	Very high	92.7	Very high	163 Å²	163	71 Å²	71	76%	0.755	39%	0.391	S	S	*	.	H	α-helix	trans	-103.8	-15.9	-171.4	-63.1	89.8	0	0	0	114.3	V199 I200	V199-H203 PolarHBondContact O-N 2.9Å; V199-H203 PolarHBondContact O-ND1 2.97Å; I200-H203 PolarHBondContact O-N 3.14Å
204	S	89.2	Confident	92.7	Very high	27 Å²	27	72.1 Å²	72.1	19%	0.189	39%	0.394	C	S	.	.			trans	-121.2	127.9	176.5	-174.8	0	0	0	0	111.3	I200 A206	I200-S204 PolarHBondContact O-N 3.48Å; S204-A206 PolarHBondContact OG-N 3.08Å; S204-A206 PolarHBondContact OG-O 3.27Å
205	A	81.1	Confident	92.8	Very high	114 Å²	114	75.9 Å²	75.9	94%	0.942	42%	0.419	S	S	*	.	S	Bend	trans	-87.2	-15.8	169.5	0	0	0	0	0	112.5
206	A	86.1	Confident	92.8	Very high	38 Å²	38	76.8 Å²	76.8	31%	0.314	42%	0.423	S	S	.	.			trans	-123.2	70.3	-176.7	0	0	0	0	0	109.8	S204 E208 Q209	S204-A206 PolarHBondContact OG-N 3.08Å; S204-A206 PolarHBondContact OG-O 3.27Å; A206-E208 PolarHBondContact O-N 2.83Å; A206-Q209 HydrophobicContact CB-CB 4.48Å; A206-Q209 HydrophobicContact CB-CG 4.34Å; A206-Q209 PolarHBondContact O-N 2.98Å
207	T	88	Confident	92.8	Very high	21 Å²	21	74.6 Å²	74.6	13%	0.129	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-58.9	-30	-179.6	48.4	0	0	0	0	112.7	I200 Q209 L210 L217 L220	I200-T207 HydrophobicContact CG2-CG2 4.49Å; T207-Q209 PolarHBondContact O-N 3.43Å; T207-L210 WeakPolarHBondContact O-CB 3.31Å; T207-L210 WeakPolarHBondContact O-CG 3.4Å; T207-L210 PolarHBondContact O-N 3.31Å; T207-L217 WeakPolarHBondContact O-CD2 3.38Å; T207-L220 HydrophobicContact CG2-CB 4.42Å; T207-L220 HydrophobicContact CG2-CD1 4.23Å
208	E	87.9	Confident	92.7	Very high	96 Å²	96	81.7 Å²	81.7	45%	0.449	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-63.5	-24.4	179.3	-59.5	-48.7	127	0	0	115.1	A206 Q221	A206-E208 PolarHBondContact O-N 2.83Å; E208-Q221 WeakPolarHBondContact OE1-CG 3.38Å; E208-Q221 PolarHBondContact OE1-NE2 2.88Å; E208-Q221 PolarHBondContact OE2-NE2 3.03Å
209	Q	90.4	Very high	92.7	Very high	167 Å²	167	84.1 Å²	84.1	78%	0.78	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-96.7	-0.9	-174.3	-63.5	176.4	-9.5	0	0	112.3	A206 T207	A206-Q209 HydrophobicContact CB-CB 4.48Å; A206-Q209 HydrophobicContact CB-CG 4.34Å; A206-Q209 PolarHBondContact O-N 2.98Å; T207-Q209 PolarHBondContact O-N 3.43Å
210	L	93.4	Very high	92.7	Very high	47 Å²	47	80.7 Å²	80.7	25%	0.246	43%	0.426	C	S	.	.	S	Bend	trans	-66.7	144.2	179.2	-64.5	175.2	0	0	0	110	I200 T207 L212 L217 L220	I200-L210 HydrophobicContact CG2-CD1 3.55Å; T207-L210 WeakPolarHBondContact O-CB 3.31Å; T207-L210 WeakPolarHBondContact O-CG 3.4Å; T207-L210 PolarHBondContact O-N 3.31Å; L210-L212 HydrophobicContact CB-CD1 3.94Å; L210-L212 HydrophobicContact CB-CG 3.95Å; L210-L212 HydrophobicContact CD1-CD1 4.04Å; L210-L212 PolarHBondContact O-N 3.45Å; L210-L217 HydrophobicContact CB-CD2 4.29Å; L210-L220 HydrophobicContact CD1-CD1 3.81Å
211	P	95.4	Very high	92.6	Very high	133 Å²	133	82.4 Å²	82.4	86%	0.864	43%	0.433	S	S	*	.	S	Bend	trans	-75.5	58.1	178.5	33.4	-36.8	0	0	0	110.9
212	L	94.9	Very high	92.6	Very high	59 Å²	59	86.6 Å²	86.6	31%	0.309	46%	0.455	S	S	.	.			trans	-116.2	148.2	-177.1	-63.4	176.7	0	0	0	110.7	L210 L216 L217 L220	L210-L212 HydrophobicContact CB-CD1 3.94Å; L210-L212 HydrophobicContact CB-CG 3.95Å; L210-L212 HydrophobicContact CD1-CD1 4.04Å; L210-L212 PolarHBondContact O-N 3.45Å; L212-L216 HydrophobicContact CB-CB 4.23Å; L212-L216 HydrophobicContact CD2-CD1 4.44Å; L212-L217 HydrophobicContact CB-CD2 4.01Å; L212-L217 HydrophobicContact CB-CG 4.2Å; L212-L220 HydrophobicContact CD1-CD1 3.88Å
213	P	97.3	Very high	92.8	Very high	85 Å²	85	80.7 Å²	80.7	55%	0.552	43%	0.433	S	S	*	.			trans	-55.2	146	169.3	-26.1	34.2	0	0	0	112.8	P215 L216 L217	P213-P215 VanDerWaalsContact C-N 3.32Å; P213-P215 VanDerWaalsContact O-N 3.14Å; P213-L216 WeakPolarHBondContact O-CB 3.43Å; P213-L216 PolarHBondContact O-N 3.09Å; P213-L217 PolarHBondContact O-N 3.06Å; P213-L217 VanDerWaalsContact O-N 3.14Å
214	K	95.8	Very high	93	Very high	159 Å²	159	76.2 Å²	76.2	69%	0.691	42%	0.418	S	S	*	.	H	α-helix	trans	-48.7	-40.6	-179.3	-65.2	-178.8	-179.7	177.4	0	114.8	L216 L217 R218	K214-L216 VanDerWaalsContact C-N 3.3Å; K214-L216 PolarHBondContact O-N 3.41Å; K214-L217 PolarHBondContact O-N 3.33Å; K214-R218 WeakPolarHBondContact O-CG 3.45Å; K214-R218 PolarHBondContact O-N 3.15Å
215	P	96.8	Very high	93.2	Very high	87 Å²	87	75.4 Å²	75.4	57%	0.565	41%	0.411	S	S	*	.	H	α-helix	trans	-61.5	-37	176.5	-24.8	36	0	0	0	113.3	P213 F219	P213-P215 VanDerWaalsContact C-N 3.32Å; P213-P215 VanDerWaalsContact O-N 3.14Å; P215-F219 PolarHBondContact O-N 3.12Å
216	L	95.5	Very high	93.8	Very high	85 Å²	85	74.2 Å²	74.2	45%	0.445	39%	0.385	S	S	.	.	H	α-helix	trans	-73.2	-36.4	177.4	-64.2	-174	0	0	0	111.6	L212 P213 K214 F219 L220	L212-L216 HydrophobicContact CB-CB 4.23Å; L212-L216 HydrophobicContact CD2-CD1 4.44Å; P213-L216 WeakPolarHBondContact O-CB 3.43Å; P213-L216 PolarHBondContact O-N 3.09Å; K214-L216 VanDerWaalsContact C-N 3.3Å; K214-L216 PolarHBondContact O-N 3.41Å; L216-F219 WeakPolarHBondContact O-CB 3.27Å; L216-F219 PolarHBondContact O-N 3.21Å; L216-L220 WeakPolarHBondContact O-CG 3.14Å; L216-L220 PolarHBondContact O-N 3.11Å
217	L	95.6	Very high	94	Very high	23 Å²	23	72.7 Å²	72.7	12%	0.12	37%	0.372	C	S	.	.	H	α-helix	trans	-60.2	-46.2	172.7	-66.1	175.6	0	0	0	111.3	T207 L210 L212 P213 K214 F219 L220 Q221	T207-L217 WeakPolarHBondContact O-CD2 3.38Å; L210-L217 HydrophobicContact CB-CD2 4.29Å; L212-L217 HydrophobicContact CB-CD2 4.01Å; L212-L217 HydrophobicContact CB-CG 4.2Å; P213-L217 PolarHBondContact O-N 3.06Å; P213-L217 VanDerWaalsContact O-N 3.14Å; K214-L217 PolarHBondContact O-N 3.33Å; L217-F219 VanDerWaalsContact C-N 3.34Å; L217-F219 PolarHBondContact O-N 3.42Å; L217-L220 WeakPolarHBondContact O-CB 3.43Å; L217-L220 PolarHBondContact O-N 2.95Å; L217-L220 VanDerWaalsContact O-N 3.15Å; L217-Q221 WeakPolarHBondContact O-CG 3.29Å; L217-Q221 PolarHBondContact O-N 2.83Å
218	R	95.3	Very high	94.4	Very high	154 Å²	154	75.3 Å²	75.3	58%	0.581	38%	0.384	S	S	*	.	H	α-helix	trans	-59.6	-43.6	173.6	-68.7	-179.6	-164.7	155.7	1	112	K214 L220 Q221 D222	K214-R218 WeakPolarHBondContact O-CG 3.45Å; K214-R218 PolarHBondContact O-N 3.15Å; R218-L220 PolarHBondContact O-N 3.32Å; R218-Q221 CarbonylContact O-C 3.21Å; R218-Q221 WeakPolarHBondContact O-CA 3.46Å; R218-Q221 WeakPolarHBondContact O-CB 3.48Å; R218-Q221 PolarHBondContact O-N 3.14Å; R218-D222 PolarHBondContact O-N 3.14Å
219	F	95.4	Very high	94.7	Very high	53 Å²	53	74.2 Å²	74.2	23%	0.232	38%	0.38	C	S	.	.	H	α-helix	trans	-59.2	-33.7	176.7	176.6	-103.6	0	0	0	113.3	Q193 R197 P215 L216 L217	Q193-F219 HydrophobicContact CB-CE1 4.14Å; Q193-F219 HydrophobicContact CB-CZ 3.88Å; R197-F219 HydrophobicContact CB-CD1 4.4Å; R197-F219 HydrophobicContact CB-CE1 3.74Å; R197-F219 HydrophobicContact CB-CZ 4.47Å; R197-F219 WeakPolarHBondContact CD-O 3.49Å; R197-F219 HydrophobicContact CG-CE1 4.39Å; R197-F219 PolarHBondContact NH1-O 3.41Å; P215-F219 PolarHBondContact O-N 3.12Å; L216-F219 WeakPolarHBondContact O-CB 3.27Å; L216-F219 PolarHBondContact O-N 3.21Å; L217-F219 VanDerWaalsContact C-N 3.34Å; L217-F219 PolarHBondContact O-N 3.42Å
220	L	95.3	Very high	94.9	Very high	4 Å²	4	69 Å²	69	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-70	-41.9	171.6	-63.3	178.1	0	0	0	111.5	R197 I200 T207 L210 L212 L216 L217 R218 D222 Y223	R197-L220 HydrophobicContact CB-CD2 3.88Å; R197-L220 HydrophobicContact CG-CD2 3.72Å; I200-L220 HydrophobicContact CB-CD2 4.36Å; I200-L220 HydrophobicContact CD1-CD2 4.19Å; I200-L220 HydrophobicContact CG2-CD1 4.01Å; I200-L220 HydrophobicContact CG2-CD2 4.22Å; T207-L220 HydrophobicContact CG2-CB 4.42Å; T207-L220 HydrophobicContact CG2-CD1 4.23Å; L210-L220 HydrophobicContact CD1-CD1 3.81Å; L212-L220 HydrophobicContact CD1-CD1 3.88Å; L216-L220 WeakPolarHBondContact O-CG 3.14Å; L216-L220 PolarHBondContact O-N 3.11Å; L217-L220 WeakPolarHBondContact O-CB 3.43Å; L217-L220 PolarHBondContact O-N 2.95Å; L217-L220 VanDerWaalsContact O-N 3.15Å; R218-L220 PolarHBondContact O-N 3.32Å; L220-D222 VanDerWaalsContact C-N 3.34Å; L220-D222 PolarHBondContact O-N 3.29Å; L220-Y223 CarbonylContact O-C 3.5Å; L220-Y223 PolarHBondContact O-N 3.1Å; L220-Y223 VanDerWaalsContact O-O 3.13Å
221	Q	93.3	Very high	95	Very high	85 Å²	85	70.3 Å²	70.3	40%	0.397	37%	0.365	S	S	.	.	H	α-helix	trans	-65	-33.1	177.4	-68.6	168.7	31.9	0	0	113.7	E208 L217 R218 Y223 P224	E208-Q221 WeakPolarHBondContact OE1-CG 3.38Å; E208-Q221 PolarHBondContact OE1-NE2 2.88Å; E208-Q221 PolarHBondContact OE2-NE2 3.03Å; L217-Q221 WeakPolarHBondContact O-CG 3.29Å; L217-Q221 PolarHBondContact O-N 2.83Å; R218-Q221 CarbonylContact O-C 3.21Å; R218-Q221 WeakPolarHBondContact O-CA 3.46Å; R218-Q221 WeakPolarHBondContact O-CB 3.48Å; R218-Q221 PolarHBondContact O-N 3.14Å; Q221-Y223 PolarHBondContact O-N 2.7Å; Q221-Y223 VanDerWaalsContact O-N 3.11Å; Q221-P224 WeakPolarHBondContact O-CD 3.11Å
222	D	94.5	Very high	95	Very high	94 Å²	94	66.4 Å²	66.4	50%	0.503	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.3	179.1	-67.6	-24.8	0	0	0	112.2	Y57 R218 L220	Y57-D222 WeakPolarHBondContact CD1-O 3.26Å; Y57-D222 VanDerWaalsContact CE1-O 3.26Å; Y57-D222 WeakPolarHBondContact CE1-O 3.4Å; R218-D222 PolarHBondContact O-N 3.14Å; L220-D222 VanDerWaalsContact C-N 3.34Å; L220-D222 PolarHBondContact O-N 3.29Å
223	Y	96.2	Very high	95	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.335	C	S	.	.			trans	-151.8	86.1	172.4	-167.8	-89.7	0	0	0	110.4	Y57 N60 S61 H194 L198 N201 L220 Q221 F225 V227	Y57-Y223 HydrophobicContact CD1-CD2 4.23Å; Y57-Y223 VanDerWaalsContact O-CE2 3.24Å; Y57-Y223 WeakPolarHBondContact O-CE2 3.37Å; N60-Y223 HydrophobicContact CB-CD2 3.94Å; N60-Y223 HydrophobicContact CB-CE2 4.39Å; S61-Y223 WeakPolarHBondContact CB-OH 3.27Å; H194-Y223 AromaticContact CE1-CD1 3.95Å; H194-Y223 AromaticContact CE1-CE1 3.93Å; L198-Y223 HydrophobicContact CD2-CD1 4.05Å; L198-Y223 HydrophobicContact CD2-CE1 3.62Å; N201-Y223 PolarHBondContact ND2-O 3.02Å; L220-Y223 CarbonylContact O-C 3.5Å; L220-Y223 PolarHBondContact O-N 3.1Å; L220-Y223 VanDerWaalsContact O-O 3.13Å; Q221-Y223 PolarHBondContact O-N 2.7Å; Q221-Y223 VanDerWaalsContact O-N 3.11Å; Y223-F225 HydrophobicContact CD1-CB 4.12Å; Y223-F225 AromaticContact CD1-CD2 3.88Å; Y223-F225 HydrophobicContact CD1-CD2 3.88Å; Y223-F225 HydrophobicContact CD1-CG 4.5Å; Y223-F225 AromaticContact CD2-CD2 3.77Å; Y223-F225 HydrophobicContact CD2-CD2 3.77Å; Y223-F225 HydrophobicContact CD2-CE2 4.18Å; Y223-F225 HydrophobicContact CE1-CB 3.66Å; Y223-F225 AromaticContact CE1-CD2 3.79Å; Y223-F225 HydrophobicContact CE1-CD2 3.79Å; Y223-F225 HydrophobicContact CE1-CG 4.24Å; Y223-F225 AromaticContact CE2-CD2 3.66Å; Y223-F225 HydrophobicContact CE2-CD2 3.66Å; Y223-F225 HydrophobicContact CE2-CE2 4.24Å; Y223-F225 AromaticContact CG-CD2 3.86Å; Y223-F225 HydrophobicContact CG-CD2 3.86Å; Y223-F225 HydrophobicContact CG-CE2 4.5Å; Y223-F225 AromaticContact CZ-CD2 3.67Å; Y223-F225 PolarHBondContact O-N 2.96Å; Y223-V227 VanDerWaalsContact CE1-O 3.27Å; Y223-V227 WeakPolarHBondContact CE1-O 3.22Å; Y223-V227 VanDerWaalsContact CZ-O 3.31Å; Y223-V227 PolarHBondContact OH-O 2.83Å
224	P	94.9	Very high	94.8	Very high	70 Å²	70	65.6 Å²	65.6	46%	0.455	32%	0.32	S	S	.	.			trans	-86.9	35.4	-173	36.4	-36	0	0	0	112.4	Q221	Q221-P224 WeakPolarHBondContact O-CD 3.11Å
225	F	94.9	Very high	94.8	Very high	9 Å²	9	58.4 Å²	58.4	4%	0.039	29%	0.291	C	S	.	.			trans	-115.7	160.1	-175.8	-43.2	-71.9	0	0	0	112.1	Y57 N136 P138 S139 N201 Y223	Y57-F225 AromaticContact CD1-CE2 3.64Å; Y57-F225 HydrophobicContact CD1-CE2 3.64Å; Y57-F225 HydrophobicContact CD1-CZ 4.35Å; Y57-F225 AromaticContact CD2-CE2 3.71Å; Y57-F225 HydrophobicContact CD2-CE2 3.71Å; Y57-F225 AromaticContact CD2-CZ 3.75Å; Y57-F225 HydrophobicContact CD2-CZ 3.75Å; Y57-F225 HydrophobicContact CE1-CE2 4.01Å; Y57-F225 HydrophobicContact CE1-CZ 4.4Å; Y57-F225 HydrophobicContact CE2-CE2 4.09Å; Y57-F225 AromaticContact CE2-CZ 3.84Å; Y57-F225 HydrophobicContact CE2-CZ 3.84Å; Y57-F225 AromaticContact CG-CE2 3.48Å; Y57-F225 HydrophobicContact CG-CE2 3.48Å; Y57-F225 VanDerWaalsContact CG-CE2 3.48Å; Y57-F225 HydrophobicContact CG-CZ 4.04Å; N136-F225 VanDerWaalsContact OD1-CE1 3.28Å; N136-F225 WeakPolarHBondContact OD1-CE1 3.27Å; N136-F225 WeakPolarHBondContact OD1-CZ 3.45Å; P138-F225 HydrophobicContact CB-CB 4.15Å; P138-F225 HydrophobicContact CB-CD1 3.75Å; P138-F225 HydrophobicContact CB-CD2 3.56Å; P138-F225 HydrophobicContact CB-CE1 4Å; P138-F225 HydrophobicContact CB-CE2 3.81Å; P138-F225 HydrophobicContact CB-CG 3.52Å; P138-F225 HydrophobicContact CB-CZ 4.02Å; P138-F225 HydrophobicContact CG-CD2 4.05Å; P138-F225 HydrophobicContact CG-CE2 3.95Å; P138-F225 HydrophobicContact CG-CG 4.49Å; P138-F225 HydrophobicContact CG-CZ 4.32Å; S139-F225 WeakPolarHBondContact OG-CE1 3.32Å; N201-F225 WeakPolarHBondContact CB-O 3.21Å; N201-F225 PolarHBondContact ND2-N 3.21Å; N201-F225 PolarHBondContact ND2-O 3.31Å; Y223-F225 HydrophobicContact CD1-CB 4.12Å; Y223-F225 AromaticContact CD1-CD2 3.88Å; Y223-F225 HydrophobicContact CD1-CD2 3.88Å; Y223-F225 HydrophobicContact CD1-CG 4.5Å; Y223-F225 AromaticContact CD2-CD2 3.77Å; Y223-F225 HydrophobicContact CD2-CD2 3.77Å; Y223-F225 HydrophobicContact CD2-CE2 4.18Å; Y223-F225 HydrophobicContact CE1-CB 3.66Å; Y223-F225 AromaticContact CE1-CD2 3.79Å; Y223-F225 HydrophobicContact CE1-CD2 3.79Å; Y223-F225 HydrophobicContact CE1-CG 4.24Å; Y223-F225 AromaticContact CE2-CD2 3.66Å; Y223-F225 HydrophobicContact CE2-CD2 3.66Å; Y223-F225 HydrophobicContact CE2-CE2 4.24Å; Y223-F225 AromaticContact CG-CD2 3.86Å; Y223-F225 HydrophobicContact CG-CD2 3.86Å; Y223-F225 HydrophobicContact CG-CE2 4.5Å; Y223-F225 AromaticContact CZ-CD2 3.67Å; Y223-F225 PolarHBondContact O-N 2.96Å
226	K	93.6	Very high	94.6	Very high	89 Å²	89	56 Å²	56	39%	0.387	27%	0.268	S	S	.	.			trans	-95.8	-9	-176.7	-59.2	-176.1	-178.4	-161.6	0	113.8	N201 R202	N201-K226 HydrophobicContact CB-CG 4.47Å; N201-K226 VanDerWaalsContact O-CE 3.22Å; N201-K226 WeakPolarHBondContact O-CE 3.47Å; R202-K226 HydrophobicContact CG-CB 3.83Å; R202-K226 HydrophobicContact CG-CD 4.38Å; R202-K226 HydrophobicContact CG-CG 4.16Å; R202-K226 PolarHBondContact NE-O 2.82Å; R202-K226 PolarHBondContact NH2-O 2.99Å
227	V	90.8	Very high	94.5	Very high	6 Å²	6	53.4 Å²	53.4	4%	0.036	25%	0.252	C	S	.	.			trans	-115.8	0	-172.1	62.8	0	0	0	0	111.3	W63 F85 V141 Q142 M145 A182 Y223	W63-V227 HydrophobicContact CZ2-CG1 4.1Å; W63-V227 PolarHBondContact NE1-O 3Å; W63-V227 PolarHBondContact NE1-OXT 3.32Å; W63-V227 VanDerWaalsContact NE1-OXT 3.1Å; F85-V227 HydrophobicContact CZ-CG2 3.89Å; V141-V227 HydrophobicContact CG1-CG1 4.14Å; V141-V227 HydrophobicContact CG1-CG2 4.11Å; Q142-V227 HydrophobicContact CB-CG1 4.46Å; M145-V227 HydrophobicContact CE-CG2 4.03Å; M145-V227 HydrophobicContact SD-CB 3.95Å; M145-V227 HydrophobicContact SD-CG2 3.44Å; M145-V227 WeakPolarHBondContact SD-CG2 3.39Å; A182-V227 HydrophobicContact CB-CG2 4.26Å; Y223-V227 VanDerWaalsContact CE1-O 3.27Å; Y223-V227 WeakPolarHBondContact CE1-O 3.22Å; Y223-V227 VanDerWaalsContact CZ-O 3.31Å; Y223-V227 PolarHBondContact OH-O 2.83Å

Retrieved 227 of 227 residues in 86.3 ms (Link to these results)

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