A0A096NYD2_PAPAN Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A096NYD2, Species PAPAN (Papio anubis, Olive baboon), Gene ERAS, Length 233 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	38.1	Very low	247 Å²	247	150.5 Å²	150.5	100%	1.217	82%	0.823	S	S	*	*				0	134.4	0	-68.2	171.3	178.1	0	0	106.6
2	E	36.3	Very low	37.5	Very low	180 Å²	180	151.7 Å²	151.7	84%	0.841	83%	0.827	S	S	*	*			trans	-90.6	165.7	-177.1	-65.4	178.4	93.2	0	0	112.4
3	L	39.4	Very low	37	Very low	153 Å²	153	146.2 Å²	146.2	80%	0.801	83%	0.827	S	S	*	*				149.5	151.8	119.7	-78.6	171	0	0	0	111.1
4	P	48.6	Very low	36.8	Very low	112 Å²	112	148.1 Å²	148.1	73%	0.727	83%	0.833	S	S	*	*			cis	-103.3	-132.9	-30.9	17.5	6.7	0	0	0	108.5
5	T	39.2	Very low	36.6	Very low	124 Å²	124	143.8 Å²	143.8	76%	0.761	82%	0.823	S	S	*	*			cis	-156	179.4	-0.7	-25.9	0	0	0	0	109.5
6	K	35.3	Very low	36.2	Very low	191 Å²	191	143.9 Å²	143.9	83%	0.83	83%	0.827	S	S	*	*			trans	-152.8	-168.8	179.8	-71.3	-170.6	-179.1	178.1	0	109.2
7	P	55	Low	35.6	Very low	126 Å²	126	150.1 Å²	150.1	82%	0.818	83%	0.834	S	S	*	*				-128.6	-169.7	-62.9	38.3	-22.9	0	0	0	112.2
8	G	31.6	Very low	35.9	Very low	71 Å²	71	146.5 Å²	146.5	73%	0.732	82%	0.821	S	S	*	*			trans	-159.4	139.9	162.3	0	0	0	0	0	112.5
9	T	33.2	Very low	36.7	Very low	129 Å²	129	144.9 Å²	144.9	79%	0.791	82%	0.817	S	S	*	*			trans	-147.9	154.4	-175.6	40.3	0	0	0	0	111.2
10	F	28.8	Very low	36.5	Very low	191 Å²	191	143.5 Å²	143.5	84%	0.838	82%	0.817	S	S	*	*			trans	25.5	138.8	145.2	-79.6	-91.9	0	0	0	119.6
11	D	34.8	Very low	36.1	Very low	131 Å²	131	146.7 Å²	146.7	70%	0.701	82%	0.823	S	S	*	*			cis	-163.6	-173.7	14.6	-168.6	14	0	0	0	109.8
12	L	30.9	Very low	35.9	Very low	165 Å²	165	143.7 Å²	143.7	86%	0.864	81%	0.805	S	S	*	*			trans	136.2	128.7	137.4	-71.5	171.8	0	0	0	114.5
13	G	30.2	Very low	35.6	Very low	80 Å²	80	138.5 Å²	138.5	83%	0.825	80%	0.8	S	S	*	*			trans	159.7	101.9	164.3	0	0	0	0	0	114.3
14	L	34.6	Very low	35.3	Very low	174 Å²	174	140 Å²	140	91%	0.911	80%	0.803	S	S	*	*			trans	-116.3	133.3	-176.7	-158.7	88.9	0	0	0	112.9
15	A	33.1	Very low	34.9	Very low	83 Å²	83	141.4 Å²	141.4	69%	0.686	81%	0.81	S	S	*	*			trans	61.3	135.2	156.2	0	0	0	0	0	121.3
16	T	31.4	Very low	34.8	Very low	146 Å²	146	143.9 Å²	143.9	90%	0.896	81%	0.812	S	S	*	*			trans	-167.4	175.3	134.7	10	0	0	0	0	112.1
17	W	26	Very low	35.2	Very low	248 Å²	248	146.3 Å²	146.3	94%	0.939	82%	0.816	S	S	*	*			trans	-156.7	160.9	-156.4	-114.8	12.5	0	0	0	111.2
18	S	39.7	Very low	34.3	Very low	86 Å²	86	144.9 Å²	144.9	60%	0.601	82%	0.815	S	S	*	*			cis	-130.8	-94.7	3.9	-83.1	0	0	0	0	114.5
19	P	51.3	Low	34.7	Very low	116 Å²	116	150.2 Å²	150.2	75%	0.753	82%	0.821	S	S	*	*			trans	-136	149.6	-145.7	39.2	-18	0	0	0	118.5
20	S	33.2	Very low	35	Very low	116 Å²	116	148.4 Å²	148.4	81%	0.811	82%	0.82	S	S	*	*			trans	174.3	122.9	136.1	37.2	0	0	0	0	114
21	F	28.5	Very low	35.4	Very low	212 Å²	212	150.8 Å²	150.8	93%	0.93	82%	0.823	S	S	*	*				-155	157.8	128	-140	-104.2	0	0	0	110.1
22	Q	31.9	Very low	35.7	Very low	183 Å²	183	150 Å²	150	86%	0.855	83%	0.827	S	S	*	*			trans	-109.7	145.5	-174.2	-69.5	179.3	-17.2	0	0	112
23	G	30.5	Very low	36.3	Very low	71 Å²	71	153.7 Å²	153.7	73%	0.732	83%	0.829	S	S	*	*			trans	79.8	110.8	146.3	0	0	0	0	0	117.8
24	E	34	Very low	37.1	Very low	186 Å²	186	157.1 Å²	157.1	87%	0.869	83%	0.828	S	S	*	*				-154.1	117.3	118.4	-115.8	172.4	-175.9	0	0	110.6	H26	E24-H26 PolarHBondContact O-N 3.43Å
25	T	39.7	Very low	37.9	Very low	140 Å²	140	155.1 Å²	155.1	86%	0.859	82%	0.823	S	S	*	*			trans	-92.9	71.2	-174.1	49.5	0	0	0	0	111.7
26	H	36.7	Very low	38.9	Very low	177 Å²	177	154.7 Å²	154.7	82%	0.819	83%	0.827	S	S	*	*			trans	-82.3	118.9	167.5	-100.4	-94.3	0	0	0	111.7	E24 A28	E24-H26 PolarHBondContact O-N 3.43Å; H26-A28 PolarHBondContact O-N 2.05Å
27	R	43.8	Very low	40.5	Very low	241 Å²	241	157.8 Å²	157.8	91%	0.909	82%	0.822	S	S	*	*			trans	-77.5	62.6	-171.1	-162.1	-177.3	-164.6	177.5	4.7	111.4	Q29	R27-Q29 PolarHBondContact O-N 3.41Å
28	A	37.3	Very low	43.2	Very low	97 Å²	97	155 Å²	155	80%	0.802	82%	0.819	S	S	*	*			trans	-53.2	122.4	175.2	0	0	0	0	0	109.4	H26	H26-A28 PolarHBondContact O-N 2.05Å
29	Q	39.9	Very low	45.6	Very low	182 Å²	182	152.9 Å²	152.9	85%	0.85	80%	0.801	S	S	*	*			trans	-62.4	142	-168.8	-69.2	145.9	-55.5	0	0	111	R27 R31	R27-Q29 PolarHBondContact O-N 3.41Å; Q29-R31 PolarHBondContact O-N 2.89Å
30	A	38.3	Very low	47.6	Very low	92 Å²	92	150.3 Å²	150.3	76%	0.76	78%	0.784	S	S	*	*			trans	-59.2	109.2	166.5	0	0	0	0	0	108.2	C32	A30-C32 VanDerWaalsContact C-N 3.31Å; A30-C32 PolarHBondContact O-N 3.45Å
31	R	37.8	Very low	50.5	Low	240 Å²	240	149.1 Å²	149.1	91%	0.906	77%	0.766	S	S	*	*			trans	-64	99	163.7	-72.3	-173.6	178.2	-172.1	-1.2	106.8	Q29 R33	Q29-R31 PolarHBondContact O-N 2.89Å; R31-R33 PolarHBondContact O-N 3.28Å
32	C	41.5	Very low	53.7	Low	116 Å²	116	140.2 Å²	140.2	78%	0.784	73%	0.727	S	S	*	*			trans	-49.1	129.9	163.3	-68.7	0	0	0	0	107.3	A30 D34	A30-C32 VanDerWaalsContact C-N 3.31Å; A30-C32 PolarHBondContact O-N 3.45Å; C32-D34 PolarHBondContact O-N 3.17Å
33	R	42.3	Very low	56.7	Low	242 Å²	242	135.5 Å²	135.5	91%	0.913	70%	0.703	S	S	*	*			trans	-67.6	104.3	172.3	-75.1	176.8	171.7	158.8	-4.3	106.6	R31 V35	R31-R33 PolarHBondContact O-N 3.28Å; R33-V35 PolarHBondContact O-N 3.1Å
34	D	48.7	Very low	59.8	Low	151 Å²	151	132.2 Å²	132.2	81%	0.807	67%	0.669	S	S	*	*			trans	-59.5	126.2	173	-120.4	-46.1	0	0	0	108.6	C32 G36	C32-D34 PolarHBondContact O-N 3.17Å; D34-G36 PolarHBondContact O-N 3.43Å; D34-G36 VanDerWaalsContact O-N 3.09Å
35	V	50.4	Low	62.6	Low	132 Å²	132	123.5 Å²	123.5	80%	0.8	63%	0.628	S	S	*	*			trans	-77	101.8	178.2	176.1	0	0	0	0	105.6	R33 R37	R33-V35 PolarHBondContact O-N 3.1Å; V35-R37 PolarHBondContact O-N 3.22Å
36	G	55	Low	65.1	Low	74 Å²	74	116.8 Å²	116.8	76%	0.763	59%	0.587	S	S	*	*			trans	-34.4	97.7	-166.9	0	0	0	0	0	113.8	D34 Q38	D34-G36 PolarHBondContact O-N 3.43Å; D34-G36 VanDerWaalsContact O-N 3.09Å; G36-Q38 PolarHBondContact O-N 3.26Å
37	R	63.8	Low	67.7	Low	212 Å²	212	109 Å²	109	80%	0.8	55%	0.552	S	S	*	*			trans	-76.9	94.6	-174.1	-166.4	-179.3	-169.7	-154	1.5	108.1	V35 L39	V35-R37 PolarHBondContact O-N 3.22Å; R37-L39 PolarHBondContact O-N 2.8Å
38	Q	82.4	Confident	69.9	Low	189 Å²	189	97.8 Å²	97.8	88%	0.883	51%	0.511	S	S	*	.			trans	-60.6	110.9	177.2	-174.3	171.5	-1.3	0	0	109	G36	G36-Q38 PolarHBondContact O-N 3.26Å
39	L	90.4	Very high	72.4	Confident	42 Å²	42	93.3 Å²	93.3	22%	0.22	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-64.6	147.4	176.7	-62.3	-177.1	0	0	0	110	R37 E41 E81 D88 I90	R37-L39 PolarHBondContact O-N 2.8Å; L39-E41 PolarHBondContact O-N 3.25Å; L39-E81 HydrophobicContact CD1-CG 4.01Å; L39-D88 HydrophobicContact CD1-CB 4.26Å; L39-D88 HydrophobicContact CD2-CB 4.09Å; L39-I90 HydrophobicContact CB-CG1 4.1Å; L39-I90 HydrophobicContact CD1-CD1 4.03Å; L39-I90 HydrophobicContact CD1-CG1 4.39Å
40	P	93.8	Very high	74.7	Confident	61 Å²	61	88.1 Å²	88.1	40%	0.396	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-63.6	135.2	173.8	27.1	-33.2	0	0	0	110.3	Y42 C89 I90	P40-Y42 HydrophobicContact CB-CE2 4.1Å; P40-Y42 HydrophobicContact CG-CE2 4.13Å; P40-C89 HydrophobicContact CG-CB 3.87Å; P40-I90 PolarHBondContact O-N 2.84Å
41	E	94.9	Very high	77.1	Confident	92 Å²	92	86.7 Å²	86.7	43%	0.43	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.8	171.5	-171.7	-169.9	155.8	0	0	109.7	L39 K43 I90 N92	L39-E41 PolarHBondContact O-N 3.25Å; E41-K43 WeakPolarHBondContact OE1-CE 3.16Å; E41-I90 CarbonylContact C-O 3.56Å; E41-I90 VanDerWaalsContact CA-O 3.29Å; E41-I90 WeakPolarHBondContact CA-O 3.18Å; E41-I90 HydrophobicContact CG-CG2 4.45Å; E41-N92 HydrophobicContact CG-CB 4.2Å; E41-N92 WeakPolarHBondContact OE1-CB 3.47Å; E41-N92 PolarHBondContact OE1-ND2 3.17Å
42	Y	95.8	Very high	79.8	Confident	25 Å²	25	75.4 Å²	75.4	10%	0.098	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140.3	171.7	-59.8	-67.3	0	0	0	110.2	P40 C89 I90 N92 V196 I199 Q200	P40-Y42 HydrophobicContact CB-CE2 4.1Å; P40-Y42 HydrophobicContact CG-CE2 4.13Å; Y42-C89 HydrophobicContact CD2-CB 3.85Å; Y42-C89 HydrophobicContact CE2-CB 3.68Å; Y42-I90 PolarHBondContact N-O 3.49Å; Y42-N92 PolarHBondContact O-N 3.03Å; Y42-V196 HydrophobicContact CD2-CG1 3.58Å; Y42-V196 HydrophobicContact CE2-CG1 3.74Å; Y42-V196 HydrophobicContact CG-CG1 4.32Å; Y42-I199 HydrophobicContact CD1-CG2 3.5Å; Y42-I199 VanDerWaalsContact CD1-CG2 3.5Å; Y42-I199 HydrophobicContact CE1-CG2 3.93Å; Y42-I199 HydrophobicContact CG-CG2 4.26Å; Y42-Q200 HydrophobicContact CE1-CG 4.45Å; Y42-Q200 HydrophobicContact CE2-CG 4.42Å
43	K	94.8	Very high	82.3	Confident	84 Å²	84	70.9 Å²	70.9	37%	0.365	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.6	-177.6	-70.1	163.2	-174.6	166.7	0	111.5	E41 N92 V112 D114 G115	E41-K43 WeakPolarHBondContact OE1-CE 3.16Å; K43-N92 WeakPolarHBondContact CA-O 3.3Å; K43-N92 HydrophobicContact CG-CB 4.12Å; K43-V112 WeakPolarHBondContact CD-O 3.34Å; K43-D114 PolarHBondContact N-OD2 3.4Å; K43-D114 PolarHBondContact O-N 3.33Å; K43-G115 PolarHBondContact O-N 3.42Å; K43-G115 VanDerWaalsContact O-N 3.16Å
44	A	94.2	Very high	84.7	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.008	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140	172.8	0	0	0	0	0	110.6	L91 N92 L94 G115 L195	A44-L91 HydrophobicContact CB-CD1 3.85Å; A44-N92 PolarHBondContact N-O 2.87Å; A44-L94 PolarHBondContact O-N 3.25Å; A44-G115 WeakPolarHBondContact CA-O 3.44Å; A44-L195 HydrophobicContact CB-CD2 3.71Å
45	V	92.4	Very high	86.8	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.7	166.2	63.5	0	0	0	0	110.4	V47 L94 T96 C109 L110 C113 G115 V116 L117	V45-V47 HydrophobicContact CG1-CG1 4.3Å; V45-V47 HydrophobicContact CG2-CG1 4.02Å; V45-L94 HydrophobicContact CB-CB 4.44Å; V45-L94 HydrophobicContact CG2-CB 4.33Å; V45-L94 HydrophobicContact CG2-CD2 4.11Å; V45-L94 HydrophobicContact CG2-CG 4.43Å; V45-T96 HydrophobicContact CG2-CG2 3.84Å; V45-C109 HydrophobicContact CG2-CB 4.47Å; V45-L110 HydrophobicContact CG1-CD2 4.28Å; V45-C113 HydrophobicContact CB-CB 4.23Å; V45-C113 HydrophobicContact CG1-CB 3.93Å; V45-G115 PolarHBondContact N-O 3.2Å; V45-G115 VanDerWaalsContact N-O 3.11Å; V45-V116 HydrophobicContact CG1-CG1 4.47Å; V45-V116 HydrophobicContact CG1-CG2 3.97Å; V45-L117 PolarHBondContact O-N 3.36Å
46	V	92.6	Very high	88.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.5	177.7	-163.9	0	0	0	0	108.5	K54 V93 L94 T96 L117 V119 F192	V46-K54 HydrophobicContact CG1-CB 3.74Å; V46-K54 HydrophobicContact CG1-CD 3.99Å; V46-K54 HydrophobicContact CG1-CG 3.95Å; V46-V93 HydrophobicContact CG2-CG1 3.39Å; V46-L94 PolarHBondContact N-O 3.43Å; V46-T96 PolarHBondContact O-OG1 3.11Å; V46-L117 HydrophobicContact CG1-CB 4.34Å; V46-L117 HydrophobicContact CG1-CD2 4.23Å; V46-L117 HydrophobicContact CG2-CB 4.42Å; V46-L117 HydrophobicContact CG2-CD2 4.49Å; V46-V119 HydrophobicContact CG1-CG2 3.5Å; V46-V119 VanDerWaalsContact CG1-CG2 3.5Å; V46-F192 HydrophobicContact CG2-CE1 4.38Å
47	V	91.1	Very high	90.8	Very high	13 Å²	13	45 Å²	45	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.1	-176.4	-57	0	0	0	0	111.3	V45 K54 V116 L117 V119 L131 W138	V45-V47 HydrophobicContact CG1-CG1 4.3Å; V45-V47 HydrophobicContact CG2-CG1 4.02Å; V47-K54 VanDerWaalsContact C-CD 3.4Å; V47-V116 HydrophobicContact CG2-CG1 3.81Å; V47-L117 PolarHBondContact N-O 2.65Å; V47-V119 PolarHBondContact O-N 3.42Å; V47-L131 HydrophobicContact CG2-CD1 4.06Å; V47-W138 HydrophobicContact CB-CH2 4.38Å; V47-W138 HydrophobicContact CB-CZ2 4.36Å; V47-W138 HydrophobicContact CG1-CH2 4.01Å; V47-W138 HydrophobicContact CG1-CZ2 4.03Å; V47-W138 HydrophobicContact CG2-CH2 3.74Å; V47-W138 HydrophobicContact CG2-CZ2 4.06Å
48	G	91.2	Very high	92.3	Very high	5 Å²	5	34.9 Å²	34.9	5%	0.052	21%	0.207	C	C	.	.			trans	143.1	166.8	-175.4	0	0	0	0	0	112.6	K54 V119	G48-K54 PolarHBondContact O-NZ 3.48Å; G48-V119 VanDerWaalsContact CA-O 3.29Å; G48-V119 WeakPolarHBondContact CA-O 3.36Å
49	A	89.8	Confident	92.8	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.025	17%	0.169	C	C	.	.			trans	-60.9	174.9	-173.5	0	0	0	0	0	114.1	V52 K54 G98 Q130	A49-V52 HydrophobicContact CB-CG1 3.85Å; A49-V52 WeakPolarHBondContact O-CG2 3.43Å; A49-K54 PolarHBondContact O-NZ 3.41Å; A49-G98 CarbonylContact C-O 3.6Å; A49-Q130 HydrophobicContact CB-CB 4.12Å
50	S	87.8	Confident	93	Very high	74 Å²	74	25.2 Å²	25.2	52%	0.517	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	148.3	171.1	-159	0	0	0	0	110.6	V52 G98	S50-V52 PolarHBondContact O-N 2.96Å; S50-V52 VanDerWaalsContact O-N 3.13Å; S50-G98 PolarHBondContact N-O 3.2Å
51	G	89.3	Confident	93	Very high	62 Å²	62	22.3 Å²	22.3	64%	0.639	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	-2.5	177	0	0	0	0	0	116.8	G53 K152	G51-G53 PolarHBondContact O-N 3.46Å; G51-K152 WeakPolarHBondContact O-CE 3.27Å
52	V	93.4	Very high	92.9	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.012	13%	0.129	C	C	.	.	S	Bend	trans	-75.4	-6.3	179	-51	0	0	0	0	114.2	A49 S50 K54 V119 A121 N151	A49-V52 HydrophobicContact CB-CG1 3.85Å; A49-V52 WeakPolarHBondContact O-CG2 3.43Å; S50-V52 PolarHBondContact O-N 2.96Å; S50-V52 VanDerWaalsContact O-N 3.13Å; V52-K54 HydrophobicContact CG2-CD 4.34Å; V52-K54 HydrophobicContact CG2-CG 3.6Å; V52-V119 HydrophobicContact CB-CG1 4.32Å; V52-V119 HydrophobicContact CG2-CB 4.15Å; V52-V119 HydrophobicContact CG2-CG1 3.78Å; V52-A121 HydrophobicContact CB-CB 4.09Å; V52-A121 HydrophobicContact CG1-CB 4.22Å; V52-N151 PolarHBondContact O-ND2 3.31Å
53	G	93.6	Very high	92.6	Very high	21 Å²	21	23.9 Å²	23.9	22%	0.216	15%	0.151	C	C	.	.			trans	82.3	29.2	175.8	0	0	0	0	0	116	G51 A56 L57	G51-G53 PolarHBondContact O-N 3.46Å; G53-A56 WeakPolarHBondContact O-CB 3.31Å; G53-A56 PolarHBondContact O-N 2.94Å; G53-L57 PolarHBondContact O-N 3.24Å
54	K	93.9	Very high	92.3	Very high	9 Å²	9	25 Å²	25	4%	0.039	16%	0.158	C	C	.	.	H	α-helix	trans	-52.2	-55.6	174.4	-57.6	-165.8	-53.9	-71.3	0	112.2	V46 V47 G48 A49 V52 A56 L57 T58 D95 T96 V119	V46-K54 HydrophobicContact CG1-CB 3.74Å; V46-K54 HydrophobicContact CG1-CD 3.99Å; V46-K54 HydrophobicContact CG1-CG 3.95Å; V47-K54 VanDerWaalsContact C-CD 3.4Å; G48-K54 PolarHBondContact O-NZ 3.48Å; A49-K54 PolarHBondContact O-NZ 3.41Å; V52-K54 HydrophobicContact CG2-CD 4.34Å; V52-K54 HydrophobicContact CG2-CG 3.6Å; K54-A56 VanDerWaalsContact C-N 3.29Å; K54-A56 PolarHBondContact O-N 3.25Å; K54-L57 WeakPolarHBondContact O-CB 3.46Å; K54-L57 PolarHBondContact O-N 3.09Å; K54-L57 VanDerWaalsContact O-N 3.09Å; K54-T58 PolarHBondContact O-N 2.99Å; K54-T58 PolarHBondContact O-OG1 3.2Å; K54-D95 VanDerWaalsContact CB-OD1 3.25Å; K54-D95 WeakPolarHBondContact CB-OD1 3.47Å; K54-T96 WeakPolarHBondContact CE-O 3.38Å; K54-T96 VanDerWaalsContact CE-OG1 3.27Å; K54-T96 WeakPolarHBondContact CE-OG1 3.47Å; K54-T96 PolarHBondContact NZ-O 2.85Å; K54-V119 HydrophobicContact CG-CB 4.04Å; K54-V119 HydrophobicContact CG-CG1 4.39Å; K54-V119 HydrophobicContact CG-CG2 4.29Å
55	S	92.8	Very high	91.9	Very high	25 Å²	25	27.7 Å²	27.7	18%	0.175	18%	0.176	C	C	.	.	H	α-helix	trans	-56.6	-42.8	176.5	-36	0	0	0	0	111.6	L57 T58 I59 T73 D95	S55-L57 PolarHBondContact O-N 3.41Å; S55-T58 PolarHBondContact O-N 3Å; S55-I59 VanDerWaalsContact O-CB 3.31Å; S55-I59 WeakPolarHBondContact O-CB 3.24Å; S55-I59 WeakPolarHBondContact O-CD1 3.21Å; S55-I59 WeakPolarHBondContact O-CG1 3.45Å; S55-I59 PolarHBondContact O-N 3.17Å; S55-T73 PolarHBondContact OG-OG1 3.33Å; S55-D95 WeakPolarHBondContact CA-OD2 3.48Å; S55-D95 WeakPolarHBondContact CB-OD2 3.28Å; S55-D95 PolarHBondContact N-OD1 3.07Å; S55-D95 PolarHBondContact OG-OD2 3.43Å
56	A	94.5	Very high	91.6	Very high	20 Å²	20	31 Å²	31	17%	0.165	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-36.2	177.6	0	0	0	0	0	112.8	G53 K54 Q60 F66 A182	G53-A56 WeakPolarHBondContact O-CB 3.31Å; G53-A56 PolarHBondContact O-N 2.94Å; K54-A56 VanDerWaalsContact C-N 3.29Å; K54-A56 PolarHBondContact O-N 3.25Å; A56-Q60 WeakPolarHBondContact O-CB 3.44Å; A56-Q60 PolarHBondContact O-N 3.03Å; A56-F66 HydrophobicContact CB-CD2 4.26Å; A56-F66 HydrophobicContact CB-CE2 4.06Å; A56-A182 HydrophobicContact CB-CB 3.66Å
57	L	95.3	Very high	91.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-45.6	172.9	-71.8	170.5	0	0	0	111.7	G53 K54 S55 Q60 L61 V119 V149 N151 A182 V188 F192	G53-L57 PolarHBondContact O-N 3.24Å; K54-L57 WeakPolarHBondContact O-CB 3.46Å; K54-L57 PolarHBondContact O-N 3.09Å; K54-L57 VanDerWaalsContact O-N 3.09Å; S55-L57 PolarHBondContact O-N 3.41Å; L57-Q60 PolarHBondContact O-N 3.19Å; L57-L61 PolarHBondContact O-N 3.07Å; L57-V119 HydrophobicContact CD1-CG1 3.83Å; L57-V119 HydrophobicContact CD1-CG2 3.99Å; L57-V149 HydrophobicContact CD1-CG1 3.92Å; L57-N151 HydrophobicContact CD1-CB 4.18Å; L57-A182 HydrophobicContact CD2-CB 3.96Å; L57-A182 HydrophobicContact CG-CB 4.23Å; L57-V188 HydrophobicContact CD2-CG2 3.8Å; L57-F192 HydrophobicContact CB-CE2 4.47Å
58	T	93.9	Very high	90.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-43.4	178.8	-53.4	0	0	0	0	111.8	K54 S55 L61 N62 Y78 V93	K54-T58 PolarHBondContact O-N 2.99Å; K54-T58 PolarHBondContact O-OG1 3.2Å; S55-T58 PolarHBondContact O-N 3Å; T58-L61 PolarHBondContact O-N 2.96Å; T58-N62 WeakPolarHBondContact O-CB 3.48Å; T58-N62 PolarHBondContact O-N 3.49Å; T58-Y78 HydrophobicContact CG2-CD1 4.32Å; T58-Y78 HydrophobicContact CG2-CD2 3.37Å; T58-Y78 HydrophobicContact CG2-CE2 3.97Å; T58-Y78 HydrophobicContact CG2-CG 3.57Å; T58-V93 HydrophobicContact CG2-CB 3.97Å; T58-V93 HydrophobicContact CG2-CG1 3.64Å
59	I	93	Very high	89.7	Confident	16 Å²	16	47.6 Å²	47.6	8%	0.082	28%	0.275	C	S	.	.	H	α-helix	trans	-65.1	-41.7	176	-68.6	164.5	0	0	0	110.8	S55 N62 H63 H70 Y78	S55-I59 VanDerWaalsContact O-CB 3.31Å; S55-I59 WeakPolarHBondContact O-CB 3.24Å; S55-I59 WeakPolarHBondContact O-CD1 3.21Å; S55-I59 WeakPolarHBondContact O-CG1 3.45Å; S55-I59 PolarHBondContact O-N 3.17Å; I59-N62 PolarHBondContact O-N 2.96Å; I59-H63 WeakPolarHBondContact O-CB 3.38Å; I59-H63 PolarHBondContact O-N 2.92Å; I59-H70 WeakPolarHBondContact CD1-NE2 3.15Å; I59-Y78 HydrophobicContact CG1-CE1 4.34Å
60	Q	95.3	Very high	88.7	Confident	11 Å²	11	52.2 Å²	52.2	5%	0.051	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-40.3	176.3	-178.3	66.1	-72.6	0	0	111.9	A56 L57 Q64 C65 A182 R185 V188	A56-Q60 WeakPolarHBondContact O-CB 3.44Å; A56-Q60 PolarHBondContact O-N 3.03Å; L57-Q60 PolarHBondContact O-N 3.19Å; Q60-Q64 VanDerWaalsContact O-CA 3.29Å; Q60-Q64 WeakPolarHBondContact O-CA 3.44Å; Q60-Q64 PolarHBondContact O-N 3.46Å; Q60-Q64 VanDerWaalsContact O-N 3.09Å; Q60-Q64 PolarHBondContact OE1-O 3.39Å; Q60-C65 WeakPolarHBondContact CA-O 3.35Å; Q60-C65 VanDerWaalsContact OE1-N 3.11Å; Q60-A182 WeakPolarHBondContact CG-O 3.29Å; Q60-A182 PolarHBondContact NE2-O 3.42Å; Q60-R185 HydrophobicContact CG-CB 4.22Å; Q60-R185 HydrophobicContact CG-CG 4.26Å; Q60-V188 HydrophobicContact CG-CG1 4.43Å; Q60-V188 HydrophobicContact CG-CG2 4.19Å
61	L	94.4	Very high	88.1	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-48	172.2	-178.4	75.8	0	0	0	111.3	L57 T58 K80 L82 L91 V93 V188 E189 F192	L57-L61 PolarHBondContact O-N 3.07Å; T58-L61 PolarHBondContact O-N 2.96Å; L61-K80 HydrophobicContact CD2-CB 4.35Å; L61-K80 HydrophobicContact CD2-CG 4.19Å; L61-K80 HydrophobicContact CG-CG 4.2Å; L61-K80 WeakPolarHBondContact O-CE 3.29Å; L61-K80 PolarHBondContact O-NZ 3.16Å; L61-L82 HydrophobicContact CD1-CD2 4.31Å; L61-L91 HydrophobicContact CD2-CD2 4.37Å; L61-V93 HydrophobicContact CD2-CG2 4.3Å; L61-V188 HydrophobicContact CB-CG1 4.12Å; L61-E189 HydrophobicContact CD1-CG 4.13Å; L61-F192 HydrophobicContact CB-CD2 4.12Å; L61-F192 HydrophobicContact CB-CE2 3.95Å; L61-F192 HydrophobicContact CD1-CB 4.25Å; L61-F192 HydrophobicContact CD1-CD2 3.82Å; L61-F192 HydrophobicContact CD1-CE2 4.5Å; L61-F192 HydrophobicContact CD1-CG 4.27Å; L61-F192 HydrophobicContact CD2-CB 4.22Å; L61-F192 HydrophobicContact CD2-CD1 4.06Å; L61-F192 HydrophobicContact CD2-CD2 3.65Å; L61-F192 HydrophobicContact CD2-CE1 4.26Å; L61-F192 HydrophobicContact CD2-CE2 3.89Å; L61-F192 HydrophobicContact CD2-CG 3.73Å; L61-F192 HydrophobicContact CD2-CZ 4.19Å; L61-F192 HydrophobicContact CG-CD2 4.05Å; L61-F192 HydrophobicContact CG-CE2 4.32Å
62	N	91.6	Very high	87.3	Confident	30 Å²	30	58.1 Å²	58.1	16%	0.16	31%	0.314	C	S	.	.	H	α-helix	trans	-74.8	-52.1	-172.4	-91.5	57.7	0	0	0	113.2	T58 I59 W79 K80	T58-N62 WeakPolarHBondContact O-CB 3.48Å; T58-N62 PolarHBondContact O-N 3.49Å; I59-N62 PolarHBondContact O-N 2.96Å; N62-W79 PolarHBondContact ND2-O 2.59Å; N62-K80 PolarHBondContact O-NZ 3.41Å
63	H	89.6	Confident	86.3	Confident	120 Å²	120	58.9 Å²	58.9	56%	0.556	32%	0.318	S	S	*	.	H	α-helix	trans	-106.9	-6.7	-167.4	-59.2	-73.3	0	0	0	114.3	I59 C65	I59-H63 WeakPolarHBondContact O-CB 3.38Å; I59-H63 PolarHBondContact O-N 2.92Å; H63-C65 PolarHBondContact O-N 3.27Å
64	Q	89.1	Confident	85.3	Confident	108 Å²	108	64.7 Å²	64.7	51%	0.505	34%	0.343	S	S	.	.	S	Bend	trans	55.6	31.1	-176.6	-57.1	-176.2	7.2	0	0	113.4	Q60	Q60-Q64 VanDerWaalsContact O-CA 3.29Å; Q60-Q64 WeakPolarHBondContact O-CA 3.44Å; Q60-Q64 PolarHBondContact O-N 3.46Å; Q60-Q64 VanDerWaalsContact O-N 3.09Å; Q60-Q64 PolarHBondContact OE1-O 3.39Å
65	C	86.1	Confident	84.5	Confident	56 Å²	56	68 Å²	68	38%	0.378	36%	0.358	S	S	.	.			trans	-130.1	155.8	174.6	67.3	0	0	0	0	111.3	Q60 H63	Q60-C65 WeakPolarHBondContact CA-O 3.35Å; Q60-C65 VanDerWaalsContact OE1-N 3.11Å; H63-C65 PolarHBondContact O-N 3.27Å
66	F	85.3	Confident	84.1	Confident	74 Å²	74	70.2 Å²	70.2	33%	0.325	37%	0.369	S	S	.	.			trans	-121.1	136.1	173.8	175.4	-108.7	0	0	0	108.5	A56 E68 A182 K183	A56-F66 HydrophobicContact CB-CD2 4.26Å; A56-F66 HydrophobicContact CB-CE2 4.06Å; F66-E68 HydrophobicContact CD1-CG 4.15Å; F66-E68 HydrophobicContact CE1-CG 3.39Å; F66-E68 HydrophobicContact CZ-CG 4.01Å; F66-A182 HydrophobicContact CD2-CB 4.09Å; F66-A182 HydrophobicContact CE2-CB 4.18Å; F66-K183 HydrophobicContact CD1-CB 4.05Å; F66-K183 HydrophobicContact CD1-CD 4.33Å; F66-K183 HydrophobicContact CD1-CG 3.82Å; F66-K183 HydrophobicContact CD2-CB 4.42Å; F66-K183 HydrophobicContact CE1-CB 3.87Å; F66-K183 HydrophobicContact CE1-CD 3.72Å; F66-K183 HydrophobicContact CE1-CG 3.67Å; F66-K183 HydrophobicContact CE2-CB 4.28Å; F66-K183 HydrophobicContact CG-CB 4.32Å; F66-K183 HydrophobicContact CZ-CB 4Å; F66-K183 HydrophobicContact CZ-CD 4.27Å; F66-K183 HydrophobicContact CZ-CG 4.28Å
67	V	83.6	Confident	83.8	Confident	75 Å²	75	71.9 Å²	71.9	46%	0.455	38%	0.379	S	S	.	.			trans	-127.1	126.5	179.8	-171	0	0	0	0	107.2	D69	V67-D69 VanDerWaalsContact CG1-O 3.24Å; V67-D69 WeakPolarHBondContact CG1-O 3.48Å
68	E	76.4	Confident	83.7	Confident	136 Å²	136	73.5 Å²	73.5	64%	0.636	39%	0.385	S	S	*	.	S	Bend	trans	-78.3	-42.2	-176.2	-70.5	-174.8	154.2	0	0	112	F66 K183	F66-E68 HydrophobicContact CD1-CG 4.15Å; F66-E68 HydrophobicContact CE1-CG 3.39Å; F66-E68 HydrophobicContact CZ-CG 4.01Å; E68-K183 IonicContact OE1-NZ 3.76Å; E68-K183 PolarHBondContact OE1-NZ 3.14Å
69	D	74.6	Confident	83.7	Confident	154 Å²	154	80.4 Å²	80.4	82%	0.824	41%	0.411	S	S	*	.	S	Bend	trans	-99.6	110.3	172.8	-65.8	-53	0	0	0	110.7	V67	V67-D69 VanDerWaalsContact CG1-O 3.24Å; V67-D69 WeakPolarHBondContact CG1-O 3.48Å
70	H	69.6	Low	83.8	Confident	101 Å²	101	81.7 Å²	81.7	47%	0.468	42%	0.416	S	S	.	.			trans	-129.8	144	175.1	-168.4	-76.4	0	0	0	110.4	I59	I59-H70 WeakPolarHBondContact CD1-NE2 3.15Å
71	D	74.4	Confident	83.7	Confident	141 Å²	141	87 Å²	87	75%	0.754	44%	0.441	S	S	*	.			trans	-58.9	141.8	175.6	-75.2	-44.9	0	0	0	111.2	T73	D71-T73 PolarHBondContact O-N 3.46Å; D71-T73 VanDerWaalsContact O-N 3.08Å
72	P	73.6	Confident	83.7	Confident	119 Å²	119	87.6 Å²	87.6	77%	0.773	44%	0.444	S	S	*	.			trans	-63.3	112.4	-178.3	-24.5	34.9	0	0	0	113.1	I74	P72-I74 PolarHBondContact O-N 3.22Å
73	T	72.8	Confident	83.8	Confident	18 Å²	18	91.7 Å²	91.7	11%	0.11	47%	0.47	C	S	.	.			trans	-51.1	132.3	175.7	-60.4	0	0	0	0	111.9	S55 D71 D95 A97	S55-T73 PolarHBondContact OG-OG1 3.33Å; D71-T73 PolarHBondContact O-N 3.46Å; D71-T73 VanDerWaalsContact O-N 3.08Å; T73-D95 HydrophobicContact CG2-CB 4.47Å; T73-D95 WeakPolarHBondContact CG2-OD2 3.39Å; T73-D95 PolarHBondContact OG1-OD2 2.92Å; T73-D95 VanDerWaalsContact OG1-OD2 3.13Å; T73-A97 WeakPolarHBondContact O-CA 3.45Å; T73-A97 WeakPolarHBondContact O-CB 3.5Å
74	I	71.1	Confident	83.9	Confident	142 Å²	142	86.7 Å²	86.7	73%	0.728	45%	0.447	S	S	*	.	S	Bend	trans	-88.3	-65.8	165.7	-60.3	175.5	0	0	0	108.3	P72 A97	P72-I74 PolarHBondContact O-N 3.22Å; I74-A97 WeakPolarHBondContact O-CB 3.29Å; I74-A97 PolarHBondContact O-N 3.02Å
75	Q	76.6	Confident	83.8	Confident	78 Å²	78	89.9 Å²	89.9	36%	0.364	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	122.5	172.9	-175	-170.2	-68.8	0	0	108.3	L94 D95	Q75-L94 HydrophobicContact CG-CD1 3.7Å; Q75-L94 HydrophobicContact CG-CG 4.28Å; Q75-D95 WeakPolarHBondContact CA-O 3.44Å
76	D	85.4	Confident	83.7	Confident	73 Å²	73	90.2 Å²	90.2	39%	0.39	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.1	-173.4	-75.1	-77.3	0	0	0	111.5	Y78 D95	D76-Y78 HydrophobicContact CB-CD2 4.39Å; D76-Y78 HydrophobicContact CB-CE2 3.61Å; D76-D95 PolarHBondContact N-O 2.67Å; D76-D95 PolarHBondContact O-N 2.71Å
77	S	89.1	Confident	83.9	Confident	54 Å²	54	88.3 Å²	88.3	38%	0.378	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.6	-178.1	-69.3	0	0	0	0	111.3	W79 V93	S77-W79 WeakPolarHBondContact O-CZ3 3.46Å; S77-V93 WeakPolarHBondContact CA-O 3.18Å
78	Y	92.3	Very high	84.4	Confident	37 Å²	37	87.7 Å²	87.7	15%	0.145	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120	-176.2	-63.9	-95.2	0	0	0	110.4	T58 I59 D76 V93 D95	T58-Y78 HydrophobicContact CG2-CD1 4.32Å; T58-Y78 HydrophobicContact CG2-CD2 3.37Å; T58-Y78 HydrophobicContact CG2-CE2 3.97Å; T58-Y78 HydrophobicContact CG2-CG 3.57Å; I59-Y78 HydrophobicContact CG1-CE1 4.34Å; D76-Y78 HydrophobicContact CB-CD2 4.39Å; D76-Y78 HydrophobicContact CB-CE2 3.61Å; Y78-V93 PolarHBondContact N-O 2.66Å; Y78-V93 PolarHBondContact O-N 3.26Å; Y78-D95 HydrophobicContact CE2-CB 4.15Å
79	W	93.9	Very high	85.3	Confident	144 Å²	144	81.2 Å²	81.2	55%	0.545	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.2	175.4	-68.1	-95.3	0	0	0	110.7	N62 S77 I90 L91 N92	N62-W79 PolarHBondContact ND2-O 2.59Å; S77-W79 WeakPolarHBondContact O-CZ3 3.46Å; W79-I90 HydrophobicContact CB-CG2 4.46Å; W79-L91 CarbonylContact C-O 3.55Å; W79-L91 WeakPolarHBondContact CA-O 3.38Å; W79-N92 PolarHBondContact NE1-ND2 2.99Å
80	K	94.2	Very high	86.3	Confident	44 Å²	44	76 Å²	76	19%	0.191	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	126.5	179.3	-177.8	65.7	177.6	-153.7	0	110.4	L61 N62 L82 I90 L91	L61-K80 HydrophobicContact CD2-CB 4.35Å; L61-K80 HydrophobicContact CD2-CG 4.19Å; L61-K80 HydrophobicContact CG-CG 4.2Å; L61-K80 WeakPolarHBondContact O-CE 3.29Å; L61-K80 PolarHBondContact O-NZ 3.16Å; N62-K80 PolarHBondContact O-NZ 3.41Å; K80-L82 HydrophobicContact CG-CD2 3.63Å; K80-L82 HydrophobicContact CG-CG 4.14Å; K80-I90 WeakPolarHBondContact O-CA 3.49Å; K80-L91 PolarHBondContact N-O 3.42Å; K80-L91 PolarHBondContact O-N 3.24Å
81	E	95.1	Very high	87.6	Confident	122 Å²	122	71.1 Å²	71.1	57%	0.57	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.6	164.9	-168	169.9	171.3	0	0	109	L39 C89 I90	L39-E81 HydrophobicContact CD1-CG 4.01Å; E81-C89 WeakPolarHBondContact CA-O 3.49Å; E81-I90 HydrophobicContact CB-CD1 3.87Å; E81-I90 HydrophobicContact CG-CD1 4.02Å
82	L	94	Very high	88.6	Confident	14 Å²	14	65.4 Å²	65.4	7%	0.073	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.4	178.6	-63.9	-179.2	0	0	0	109.6	L61 K80 L84 D88 C89 L91 V196	L61-L82 HydrophobicContact CD1-CD2 4.31Å; K80-L82 HydrophobicContact CG-CD2 3.63Å; K80-L82 HydrophobicContact CG-CG 4.14Å; L82-L84 HydrophobicContact CB-CG 4.39Å; L82-D88 WeakPolarHBondContact O-CA 3.25Å; L82-C89 PolarHBondContact N-O 3.46Å; L82-C89 PolarHBondContact O-N 3.44Å; L82-L91 HydrophobicContact CD1-CB 3.82Å; L82-L91 HydrophobicContact CD1-CD2 3.75Å; L82-L91 HydrophobicContact CD1-CG 4.41Å; L82-L91 HydrophobicContact CG-CB 4.3Å; L82-V196 HydrophobicContact CD1-CG2 4.33Å
83	T	93.1	Very high	89.6	Confident	115 Å²	115	59.7 Å²	59.7	71%	0.706	32%	0.318	S	S	*	.			trans	-86.9	119.1	167.5	-63.7	0	0	0	0	108.7	D88	T83-D88 WeakPolarHBondContact CA-OD1 3.34Å; T83-D88 VanDerWaalsContact CB-OD1 3.25Å; T83-D88 WeakPolarHBondContact CB-OD1 3.37Å; T83-D88 WeakPolarHBondContact CG2-OD1 3.19Å; T83-D88 PolarHBondContact OG1-OD1 3.09Å
84	L	91.1	Very high	90.5	Very high	15 Å²	15	60.1 Å²	60.1	8%	0.079	32%	0.319	C	S	.	.			trans	-124.2	160.5	-179.8	-60.2	177	0	0	0	109.7	L82 S86 G87 S193 V196	L82-L84 HydrophobicContact CB-CG 4.39Å; L84-S86 WeakPolarHBondContact CB-OG 3.36Å; L84-S86 PolarHBondContact O-N 3.13Å; L84-S86 VanDerWaalsContact O-N 3.09Å; L84-G87 WeakPolarHBondContact O-CA 3.34Å; L84-G87 PolarHBondContact O-N 3.14Å; L84-S193 WeakPolarHBondContact CD2-OG 3.28Å; L84-V196 HydrophobicContact CD1-CB 3.83Å; L84-V196 HydrophobicContact CD1-CG1 3.45Å; L84-V196 VanDerWaalsContact CD1-CG1 3.45Å
85	D	87.7	Confident	91.4	Very high	175 Å²	175	53.4 Å²	53.4	94%	0.936	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.9	175.1	-69.9	-26.7	0	0	0	112.7	G87	D85-G87 PolarHBondContact O-N 3.32Å
86	S	83	Confident	91.7	Very high	63 Å²	63	50.3 Å²	50.3	44%	0.441	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-9.7	171.8	56.1	0	0	0	0	114.6	L84 Q200	L84-S86 WeakPolarHBondContact CB-OG 3.36Å; L84-S86 PolarHBondContact O-N 3.13Å; L84-S86 VanDerWaalsContact O-N 3.09Å; S86-Q200 PolarHBondContact OG-NE2 2.98Å; S86-Q200 PolarHBondContact OG-OE1 2.67Å
87	G	90	Very high	91.4	Very high	35 Å²	35	48.1 Å²	48.1	36%	0.361	26%	0.263	S	S	.	.			trans	98.5	162.1	-163.5	0	0	0	0	0	112.8	L84 D85	L84-G87 WeakPolarHBondContact O-CA 3.34Å; L84-G87 PolarHBondContact O-N 3.14Å; D85-G87 PolarHBondContact O-N 3.32Å
88	D	93.8	Very high	90.1	Very high	62 Å²	62	46.5 Å²	46.5	33%	0.332	26%	0.256	S	S	.	.			trans	-68.5	146.2	-173	-46	-79.1	0	0	0	113.7	L39 L82 T83	L39-D88 HydrophobicContact CD1-CB 4.26Å; L39-D88 HydrophobicContact CD2-CB 4.09Å; L82-D88 WeakPolarHBondContact O-CA 3.25Å; T83-D88 WeakPolarHBondContact CA-OD1 3.34Å; T83-D88 VanDerWaalsContact CB-OD1 3.25Å; T83-D88 WeakPolarHBondContact CB-OD1 3.37Å; T83-D88 WeakPolarHBondContact CG2-OD1 3.19Å; T83-D88 PolarHBondContact OG1-OD1 3.09Å
89	C	95.6	Very high	88.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.3	178.2	68.1	0	0	0	0	112.8	P40 Y42 E81 L82	P40-C89 HydrophobicContact CG-CB 3.87Å; Y42-C89 HydrophobicContact CD2-CB 3.85Å; Y42-C89 HydrophobicContact CE2-CB 3.68Å; E81-C89 WeakPolarHBondContact CA-O 3.49Å; L82-C89 PolarHBondContact N-O 3.46Å; L82-C89 PolarHBondContact O-N 3.44Å
90	I	96.3	Very high	86.3	Confident	43 Å²	43	50.2 Å²	50.2	22%	0.221	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120	165.7	-56.8	-57.1	0	0	0	109.1	L39 P40 E41 Y42 W79 K80 E81	L39-I90 HydrophobicContact CB-CG1 4.1Å; L39-I90 HydrophobicContact CD1-CD1 4.03Å; L39-I90 HydrophobicContact CD1-CG1 4.39Å; P40-I90 PolarHBondContact O-N 2.84Å; E41-I90 CarbonylContact C-O 3.56Å; E41-I90 VanDerWaalsContact CA-O 3.29Å; E41-I90 WeakPolarHBondContact CA-O 3.18Å; E41-I90 HydrophobicContact CG-CG2 4.45Å; Y42-I90 PolarHBondContact N-O 3.49Å; W79-I90 HydrophobicContact CB-CG2 4.46Å; K80-I90 WeakPolarHBondContact O-CA 3.49Å; E81-I90 HydrophobicContact CB-CD1 3.87Å; E81-I90 HydrophobicContact CG-CD1 4.02Å
91	L	96.4	Very high	84.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.5	166.1	-174.9	61.7	0	0	0	109.5	A44 L61 W79 K80 L82 V93 F192 V196	A44-L91 HydrophobicContact CB-CD1 3.85Å; L61-L91 HydrophobicContact CD2-CD2 4.37Å; W79-L91 CarbonylContact C-O 3.55Å; W79-L91 WeakPolarHBondContact CA-O 3.38Å; K80-L91 PolarHBondContact N-O 3.42Å; K80-L91 PolarHBondContact O-N 3.24Å; L82-L91 HydrophobicContact CD1-CB 3.82Å; L82-L91 HydrophobicContact CD1-CD2 3.75Å; L82-L91 HydrophobicContact CD1-CG 4.41Å; L82-L91 HydrophobicContact CG-CB 4.3Å; L91-V93 HydrophobicContact CD2-CG2 3.67Å; L91-V93 HydrophobicContact CG-CG2 3.68Å; L91-F192 HydrophobicContact CD2-CB 4.05Å; L91-F192 HydrophobicContact CD2-CD1 3.74Å; L91-F192 HydrophobicContact CD2-CG 4.25Å; L91-V196 HydrophobicContact CD1-CG2 3.84Å; L91-V196 HydrophobicContact CD2-CG2 4.37Å
92	N	95.6	Very high	82.4	Confident	20 Å²	20	50.5 Å²	50.5	11%	0.107	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	103.3	172.5	-178.1	-7.6	0	0	0	107.8	E41 Y42 K43 A44 W79	E41-N92 HydrophobicContact CG-CB 4.2Å; E41-N92 WeakPolarHBondContact OE1-CB 3.47Å; E41-N92 PolarHBondContact OE1-ND2 3.17Å; Y42-N92 PolarHBondContact O-N 3.03Å; K43-N92 WeakPolarHBondContact CA-O 3.3Å; K43-N92 HydrophobicContact CG-CB 4.12Å; A44-N92 PolarHBondContact N-O 2.87Å; W79-N92 PolarHBondContact NE1-ND2 2.99Å
93	V	94.6	Very high	80.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118	-176.3	-173.5	0	0	0	0	109.8	V46 T58 L61 S77 Y78 L91 F192	V46-V93 HydrophobicContact CG2-CG1 3.39Å; T58-V93 HydrophobicContact CG2-CB 3.97Å; T58-V93 HydrophobicContact CG2-CG1 3.64Å; L61-V93 HydrophobicContact CD2-CG2 4.3Å; S77-V93 WeakPolarHBondContact CA-O 3.18Å; Y78-V93 PolarHBondContact N-O 2.66Å; Y78-V93 PolarHBondContact O-N 3.26Å; L91-V93 HydrophobicContact CD2-CG2 3.67Å; L91-V93 HydrophobicContact CG-CG2 3.68Å; V93-F192 HydrophobicContact CG1-CE1 3.89Å; V93-F192 HydrophobicContact CG1-CZ 4.35Å; V93-F192 HydrophobicContact CG2-CD1 4.3Å; V93-F192 HydrophobicContact CG2-CE1 3.91Å
94	L	92.1	Very high	79.2	Confident	27 Å²	27	54.8 Å²	54.8	14%	0.141	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	104.9	171	-172.4	67.8	0	0	0	109.6	A44 V45 V46 Q75 C109	A44-L94 PolarHBondContact O-N 3.25Å; V45-L94 HydrophobicContact CB-CB 4.44Å; V45-L94 HydrophobicContact CG2-CB 4.33Å; V45-L94 HydrophobicContact CG2-CD2 4.11Å; V45-L94 HydrophobicContact CG2-CG 4.43Å; V46-L94 PolarHBondContact N-O 3.43Å; Q75-L94 HydrophobicContact CG-CD1 3.7Å; Q75-L94 HydrophobicContact CG-CG 4.28Å; L94-C109 HydrophobicContact CD2-CB 3.99Å; L94-C109 VanDerWaalsContact CD2-SG 3.58Å
95	D	89.3	Confident	77.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	148.3	169.1	-172.9	37.9	0	0	0	110.6	K54 S55 T73 Q75 D76 Y78	K54-D95 VanDerWaalsContact CB-OD1 3.25Å; K54-D95 WeakPolarHBondContact CB-OD1 3.47Å; S55-D95 WeakPolarHBondContact CA-OD2 3.48Å; S55-D95 WeakPolarHBondContact CB-OD2 3.28Å; S55-D95 PolarHBondContact N-OD1 3.07Å; S55-D95 PolarHBondContact OG-OD2 3.43Å; T73-D95 HydrophobicContact CG2-CB 4.47Å; T73-D95 WeakPolarHBondContact CG2-OD2 3.39Å; T73-D95 PolarHBondContact OG1-OD2 2.92Å; T73-D95 VanDerWaalsContact OG1-OD2 3.13Å; Q75-D95 WeakPolarHBondContact CA-O 3.44Å; D76-D95 PolarHBondContact N-O 2.67Å; D76-D95 PolarHBondContact O-N 2.71Å; Y78-D95 HydrophobicContact CE2-CB 4.15Å
96	T	83.7	Confident	76.8	Confident	13 Å²	13	51.5 Å²	51.5	8%	0.08	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.5	-170.6	64.3	0	0	0	0	112.6	V45 V46 K54 G98 I101	V45-T96 HydrophobicContact CG2-CG2 3.84Å; V46-T96 PolarHBondContact O-OG1 3.11Å; K54-T96 WeakPolarHBondContact CE-O 3.38Å; K54-T96 VanDerWaalsContact CE-OG1 3.27Å; K54-T96 WeakPolarHBondContact CE-OG1 3.47Å; K54-T96 PolarHBondContact NZ-O 2.85Å; T96-G98 PolarHBondContact O-N 3.3Å; T96-I101 HydrophobicContact CG2-CD1 3.83Å
97	A	79.8	Confident	76.1	Confident	27 Å²	27	51.9 Å²	51.9	22%	0.223	29%	0.292	C	S	.	.			trans	-49.3	129.1	166.2	0	0	0	0	0	110.9	T73 I74 Q99 I101	T73-A97 WeakPolarHBondContact O-CA 3.45Å; T73-A97 WeakPolarHBondContact O-CB 3.5Å; I74-A97 WeakPolarHBondContact O-CB 3.29Å; I74-A97 PolarHBondContact O-N 3.02Å; A97-Q99 CarbonylContact C-O 3.56Å; A97-Q99 PolarHBondContact O-N 3.39Å; A97-I101 HydrophobicContact CB-CG1 4.12Å
98	G	60	Low	75	Confident	21 Å²	21	56 Å²	56	22%	0.216	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-7.3	178.2	0	0	0	0	0	115	A49 S50 T96	A49-G98 CarbonylContact C-O 3.6Å; S50-G98 PolarHBondContact N-O 3.2Å; T96-G98 PolarHBondContact O-N 3.3Å
99	Q	55.2	Low	73.8	Confident	155 Å²	155	53.7 Å²	53.7	72%	0.724	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	142.6	161.7	-63.2	-166.3	48.2	0	0	108.7	A97 I101	A97-Q99 CarbonylContact C-O 3.56Å; A97-Q99 PolarHBondContact O-N 3.39Å; Q99-I101 PolarHBondContact O-N 3.15Å
100	A	51.9	Low	72.6	Confident	104 Å²	104	54.6 Å²	54.6	86%	0.86	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	103.8	-163.5	0	0	0	0	0	113.8	H102	A100-H102 PolarHBondContact O-N 3.35Å; A100-H102 VanDerWaalsContact O-N 3.17Å
101	I	51.4	Low	71.5	Confident	31 Å²	31	56.4 Å²	56.4	16%	0.159	32%	0.316	C	S	.	.			trans	-47.7	124.4	158.4	-70.1	-170.3	0	0	0	107.3	T96 A97 Q99 R103 L105 R106	T96-I101 HydrophobicContact CG2-CD1 3.83Å; A97-I101 HydrophobicContact CB-CG1 4.12Å; Q99-I101 PolarHBondContact O-N 3.15Å; I101-R103 PolarHBondContact O-N 3.43Å; I101-L105 HydrophobicContact CG2-CB 3.32Å; I101-L105 HydrophobicContact CG2-CD1 4.31Å; I101-L105 HydrophobicContact CG2-CG 4.43Å; I101-R106 HydrophobicContact CG2-CB 4.26Å
102	H	56.2	Low	70.5	Confident	141 Å²	141	61 Å²	61	65%	0.653	34%	0.344	S	S	*	.			trans	-47.3	132.4	-174.7	179.1	-110	0	0	0	110.4	A100 A104 L105 R106	A100-H102 PolarHBondContact O-N 3.35Å; A100-H102 VanDerWaalsContact O-N 3.17Å; H102-A104 PolarHBondContact O-N 3.19Å; H102-L105 WeakPolarHBondContact O-CB 3.49Å; H102-L105 PolarHBondContact O-N 3.47Å; H102-R106 PolarHBondContact O-N 3.43Å
103	R	61.5	Low	70.2	Confident	156 Å²	156	60.6 Å²	60.6	59%	0.589	34%	0.343	S	S	*	.	H	α-helix	trans	-44.3	-45.6	-165	-72.7	-170.9	178.9	-143.6	1	113.5	I101 L105 R106 D107	I101-R103 PolarHBondContact O-N 3.43Å; R103-L105 PolarHBondContact O-N 3.04Å; R103-R106 WeakPolarHBondContact O-CB 3.33Å; R103-R106 PolarHBondContact O-N 3.38Å; R103-D107 WeakPolarHBondContact O-CB 3.47Å; R103-D107 PolarHBondContact O-N 3.39Å
104	A	58.4	Low	70.1	Confident	63 Å²	63	63 Å²	63	52%	0.521	36%	0.356	S	S	.	.	H	α-helix	trans	-56.8	-41.2	177.6	0	0	0	0	0	114.9	H102 Q108	H102-A104 PolarHBondContact O-N 3.19Å; A104-Q108 VanDerWaalsContact O-CB 3.28Å; A104-Q108 WeakPolarHBondContact O-CB 3.49Å; A104-Q108 PolarHBondContact O-N 3.35Å
105	L	60.8	Low	70.2	Confident	80 Å²	80	61.7 Å²	61.7	42%	0.419	35%	0.349	S	S	.	.	H	α-helix	trans	-68.5	-43.4	176.3	-87.7	162.5	0	0	0	111	I101 H102 R103 Q108 C109	I101-L105 HydrophobicContact CG2-CB 3.32Å; I101-L105 HydrophobicContact CG2-CD1 4.31Å; I101-L105 HydrophobicContact CG2-CG 4.43Å; H102-L105 WeakPolarHBondContact O-CB 3.49Å; H102-L105 PolarHBondContact O-N 3.47Å; R103-L105 PolarHBondContact O-N 3.04Å; L105-Q108 WeakPolarHBondContact O-CB 3.43Å; L105-Q108 PolarHBondContact O-N 2.96Å; L105-C109 PolarHBondContact O-N 2.88Å; L105-C109 PolarHBondContact O-SG 3Å
106	R	67.1	Low	70.4	Confident	40 Å²	40	61.8 Å²	61.8	15%	0.151	35%	0.349	C	S	.	.	H	α-helix	trans	-62.1	-45.9	176.1	176.4	-156.3	70.6	174.2	13.8	111.4	I101 H102 R103 Q108 C109 L110 T137	I101-R106 HydrophobicContact CG2-CB 4.26Å; H102-R106 PolarHBondContact O-N 3.43Å; R103-R106 WeakPolarHBondContact O-CB 3.33Å; R103-R106 PolarHBondContact O-N 3.38Å; R106-Q108 VanDerWaalsContact C-N 3.26Å; R106-Q108 PolarHBondContact O-N 3.44Å; R106-C109 WeakPolarHBondContact O-CB 3.43Å; R106-C109 PolarHBondContact O-N 3.37Å; R106-C109 VanDerWaalsContact O-N 3.15Å; R106-L110 HydrophobicContact CG-CD1 4.15Å; R106-L110 WeakPolarHBondContact O-CG 3.44Å; R106-L110 PolarHBondContact O-N 2.95Å; R106-T137 PolarHBondContact NH1-OG1 3.38Å; R106-T137 PolarHBondContact NH2-O 3.48Å
107	D	69.6	Low	71	Confident	71 Å²	71	61.2 Å²	61.2	38%	0.38	35%	0.346	S	S	.	.	H	α-helix	trans	-66.8	-32.2	179.8	-59.4	-17.5	0	0	0	110.5	R103 A111	R103-D107 WeakPolarHBondContact O-CB 3.47Å; R103-D107 PolarHBondContact O-N 3.39Å; D107-A111 WeakPolarHBondContact O-CB 3.38Å; D107-A111 PolarHBondContact O-N 2.66Å; D107-A111 VanDerWaalsContact O-N 3.07Å
108	Q	65.6	Low	71.7	Confident	123 Å²	123	59.9 Å²	59.9	58%	0.575	34%	0.335	S	S	*	.	H	α-helix	trans	-65.5	-46.2	167.9	179	-178.4	-2.4	0	0	112.3	A104 L105 R106 L110 A111 V112	A104-Q108 VanDerWaalsContact O-CB 3.28Å; A104-Q108 WeakPolarHBondContact O-CB 3.49Å; A104-Q108 PolarHBondContact O-N 3.35Å; L105-Q108 WeakPolarHBondContact O-CB 3.43Å; L105-Q108 PolarHBondContact O-N 2.96Å; R106-Q108 VanDerWaalsContact C-N 3.26Å; R106-Q108 PolarHBondContact O-N 3.44Å; Q108-L110 VanDerWaalsContact C-N 3.31Å; Q108-L110 PolarHBondContact O-N 2.98Å; Q108-A111 PolarHBondContact O-N 2.96Å; Q108-A111 VanDerWaalsContact O-N 3.14Å; Q108-V112 PolarHBondContact O-N 3.02Å
109	C	68.5	Low	73.4	Confident	12 Å²	12	58.9 Å²	58.9	8%	0.081	33%	0.325	C	S	.	.	H	α-helix	trans	-57.9	-44.4	176.2	-64.6	0	0	0	0	111.4	V45 L94 L105 R106 A111 V112 C113	V45-C109 HydrophobicContact CG2-CB 4.47Å; L94-C109 HydrophobicContact CD2-CB 3.99Å; L94-C109 VanDerWaalsContact CD2-SG 3.58Å; L105-C109 PolarHBondContact O-N 2.88Å; L105-C109 PolarHBondContact O-SG 3Å; R106-C109 WeakPolarHBondContact O-CB 3.43Å; R106-C109 PolarHBondContact O-N 3.37Å; R106-C109 VanDerWaalsContact O-N 3.15Å; C109-A111 VanDerWaalsContact C-N 3.29Å; C109-A111 PolarHBondContact O-N 3.02Å; C109-V112 PolarHBondContact O-N 3.09Å; C109-C113 PolarHBondContact O-N 3.43Å
110	L	70.8	Confident	75.4	Confident	20 Å²	20	51.6 Å²	51.6	11%	0.105	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-30.2	177.3	-66.3	167.3	0	0	0	112.8	V45 R106 Q108 V112 V116 W138 Q144	V45-L110 HydrophobicContact CG1-CD2 4.28Å; R106-L110 HydrophobicContact CG-CD1 4.15Å; R106-L110 WeakPolarHBondContact O-CG 3.44Å; R106-L110 PolarHBondContact O-N 2.95Å; Q108-L110 VanDerWaalsContact C-N 3.31Å; Q108-L110 PolarHBondContact O-N 2.98Å; L110-V112 VanDerWaalsContact C-N 3.26Å; L110-V112 PolarHBondContact O-N 3.01Å; L110-V116 HydrophobicContact CD2-CG2 4.19Å; L110-W138 HydrophobicContact CD1-CD2 3.62Å; L110-W138 HydrophobicContact CD1-CE3 4.19Å; L110-W138 HydrophobicContact CD1-CG 3.78Å; L110-W138 HydrophobicContact CD1-CZ2 4.02Å; L110-W138 HydrophobicContact CD2-CD2 4.13Å; L110-W138 HydrophobicContact CD2-CE3 3.9Å; L110-W138 HydrophobicContact CD2-CH2 3.56Å; L110-W138 HydrophobicContact CD2-CZ2 3.85Å; L110-W138 HydrophobicContact CD2-CZ3 3.61Å; L110-W138 HydrophobicContact CG-CZ2 4.48Å; L110-Q144 PolarHBondContact O-NE2 3.36Å
111	A	73.1	Confident	77.4	Confident	80 Å²	80	46.7 Å²	46.7	66%	0.661	25%	0.25	S	S	*	.	H	α-helix	trans	-73.4	-12.3	175.7	0	0	0	0	0	114.2	D107 Q108 C109	D107-A111 WeakPolarHBondContact O-CB 3.38Å; D107-A111 PolarHBondContact O-N 2.66Å; D107-A111 VanDerWaalsContact O-N 3.07Å; Q108-A111 PolarHBondContact O-N 2.96Å; Q108-A111 VanDerWaalsContact O-N 3.14Å; C109-A111 VanDerWaalsContact C-N 3.29Å; C109-A111 PolarHBondContact O-N 3.02Å
112	V	75.4	Confident	79.5	Confident	97 Å²	97	45.8 Å²	45.8	59%	0.588	25%	0.245	S	C	*	.	H	α-helix	trans	-127.1	-0.4	-179.1	-58.4	0	0	0	0	115.2	K43 Q108 C109 L110	K43-V112 WeakPolarHBondContact CD-O 3.34Å; Q108-V112 PolarHBondContact O-N 3.02Å; C109-V112 PolarHBondContact O-N 3.09Å; L110-V112 VanDerWaalsContact C-N 3.26Å; L110-V112 PolarHBondContact O-N 3.01Å
113	C	88.5	Confident	81.3	Confident	11 Å²	11	42.5 Å²	42.5	7%	0.074	23%	0.233	C	C	.	.			trans	-85.6	142.3	168.5	68.8	0	0	0	0	111.3	V45 C109 Q144	V45-C113 HydrophobicContact CB-CB 4.23Å; V45-C113 HydrophobicContact CG1-CB 3.93Å; C109-C113 PolarHBondContact O-N 3.43Å; C113-Q144 WeakPolarHBondContact O-CG 3.26Å; C113-Q144 PolarHBondContact O-NE2 3.16Å
114	D	94.1	Very high	82.8	Confident	51 Å²	51	37.6 Å²	37.6	27%	0.273	22%	0.218	S	C	.	.	S	Bend	trans	-78.2	-31.8	170.3	-63.7	-76.9	0	0	0	111.7	K43 P145 I199 Q203	K43-D114 PolarHBondContact N-OD2 3.4Å; K43-D114 PolarHBondContact O-N 3.33Å; D114-P145 WeakPolarHBondContact O-CD 3.45Å; D114-I199 HydrophobicContact CB-CD1 3.97Å; D114-I199 HydrophobicContact CB-CG1 4.11Å; D114-I199 HydrophobicContact CB-CG2 3.69Å; D114-Q203 PolarHBondContact OD1-NE2 2.66Å
115	G	94.2	Very high	84.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	169.2	-177.8	0	0	0	0	0	114.1	K43 A44 V45	K43-G115 PolarHBondContact O-N 3.42Å; K43-G115 VanDerWaalsContact O-N 3.16Å; A44-G115 WeakPolarHBondContact CA-O 3.44Å; V45-G115 PolarHBondContact N-O 3.2Å; V45-G115 VanDerWaalsContact N-O 3.11Å
116	V	93.4	Very high	85.7	Confident	1 Å²	1	37 Å²	37	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.5	-171.8	-179.4	0	0	0	0	111.9	V45 V47 L110 W138 Q144 P145 L146 V147 L195	V45-V116 HydrophobicContact CG1-CG1 4.47Å; V45-V116 HydrophobicContact CG1-CG2 3.97Å; V47-V116 HydrophobicContact CG2-CG1 3.81Å; L110-V116 HydrophobicContact CD2-CG2 4.19Å; V116-W138 HydrophobicContact CB-CZ3 4.35Å; V116-W138 HydrophobicContact CG1-CH2 3.59Å; V116-W138 HydrophobicContact CG1-CZ3 3.77Å; V116-W138 HydrophobicContact CG2-CH2 4.24Å; V116-W138 HydrophobicContact CG2-CZ3 3.9Å; V116-Q144 HydrophobicContact CG2-CB 4.21Å; V116-P145 PolarHBondContact N-O 2.82Å; V116-L146 HydrophobicContact CB-CD1 3.97Å; V116-L146 HydrophobicContact CG1-CD1 3.6Å; V116-L146 WeakPolarHBondContact O-CA 3.15Å; V116-V147 PolarHBondContact O-N 2.78Å; V116-L195 WeakPolarHBondContact O-CD1 3.31Å
117	L	95.4	Very high	87	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	106.5	167.7	-156.5	76.6	0	0	0	109.7	V45 V46 V47 V119 V147 V149 A191 F192 L195	V45-L117 PolarHBondContact O-N 3.36Å; V46-L117 HydrophobicContact CG1-CB 4.34Å; V46-L117 HydrophobicContact CG1-CD2 4.23Å; V46-L117 HydrophobicContact CG2-CB 4.42Å; V46-L117 HydrophobicContact CG2-CD2 4.49Å; V47-L117 PolarHBondContact N-O 2.65Å; L117-V119 HydrophobicContact CD2-CG2 4.18Å; L117-V119 HydrophobicContact CG-CG2 4.31Å; L117-V119 PolarHBondContact O-N 2.97Å; L117-V147 HydrophobicContact CD1-CB 4.09Å; L117-V147 HydrophobicContact CD1-CG1 4.25Å; L117-V149 HydrophobicContact CD1-CG2 3.58Å; L117-V149 HydrophobicContact CD2-CG2 4.18Å; L117-V149 HydrophobicContact CG-CG2 3.7Å; L117-A191 HydrophobicContact CD1-CB 4.39Å; L117-F192 HydrophobicContact CD2-CD1 4.14Å; L117-F192 HydrophobicContact CD2-CE1 3.64Å; L117-F192 HydrophobicContact CD2-CE2 4.2Å; L117-F192 HydrophobicContact CD2-CZ 3.68Å; L117-L195 HydrophobicContact CB-CD2 4.1Å; L117-L195 HydrophobicContact CD1-CD2 4.1Å
118	G	94.8	Very high	88.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	96.7	-178.9	0	0	0	0	0	111.6	L131 V147 V149	G118-L131 WeakPolarHBondContact O-CD2 3.42Å; G118-V147 PolarHBondContact N-O 2.67Å; G118-V149 PolarHBondContact O-N 2.83Å
119	V	96.1	Very high	89.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.6	-174.7	-172	0	0	0	0	111.4	V46 V47 G48 V52 K54 L57 L117 V149 N151	V46-V119 HydrophobicContact CG1-CG2 3.5Å; V46-V119 VanDerWaalsContact CG1-CG2 3.5Å; V47-V119 PolarHBondContact O-N 3.42Å; G48-V119 VanDerWaalsContact CA-O 3.29Å; G48-V119 WeakPolarHBondContact CA-O 3.36Å; V52-V119 HydrophobicContact CB-CG1 4.32Å; V52-V119 HydrophobicContact CG2-CB 4.15Å; V52-V119 HydrophobicContact CG2-CG1 3.78Å; K54-V119 HydrophobicContact CG-CB 4.04Å; K54-V119 HydrophobicContact CG-CG1 4.39Å; K54-V119 HydrophobicContact CG-CG2 4.29Å; L57-V119 HydrophobicContact CD1-CG1 3.83Å; L57-V119 HydrophobicContact CD1-CG2 3.99Å; L117-V119 HydrophobicContact CD2-CG2 4.18Å; L117-V119 HydrophobicContact CG-CG2 4.31Å; L117-V119 PolarHBondContact O-N 2.97Å; V119-V149 WeakPolarHBondContact CA-O 3.5Å; V119-V149 HydrophobicContact CG1-CG1 4.39Å; V119-V149 HydrophobicContact CG2-CB 4.2Å; V119-V149 HydrophobicContact CG2-CG1 4.39Å; V119-N151 HydrophobicContact CG1-CB 3.99Å
120	F	96.1	Very high	90.5	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	176.4	162.5	76	-80.8	0	0	0	108.7	L122 L128 L131 L148 V149 G150 N151 A166 F177	F120-L122 HydrophobicContact CE2-CD2 3.75Å; F120-L122 HydrophobicContact CE2-CG 4.22Å; F120-L122 HydrophobicContact CZ-CD2 3.87Å; F120-L122 HydrophobicContact CZ-CG 4.49Å; F120-L128 HydrophobicContact CB-CB 4.34Å; F120-L128 HydrophobicContact CB-CD1 4.35Å; F120-L128 HydrophobicContact CD1-CD1 3.69Å; F120-L128 HydrophobicContact CD2-CB 3.89Å; F120-L128 HydrophobicContact CD2-CD1 4.04Å; F120-L128 HydrophobicContact CD2-CG 4.44Å; F120-L128 HydrophobicContact CE1-CD1 3.94Å; F120-L128 HydrophobicContact CE2-CB 4.47Å; F120-L128 HydrophobicContact CE2-CD1 4.26Å; F120-L128 HydrophobicContact CG-CB 4.14Å; F120-L128 HydrophobicContact CG-CD1 3.75Å; F120-L128 HydrophobicContact CZ-CD1 4.24Å; F120-L131 HydrophobicContact CB-CD2 4.22Å; F120-L131 HydrophobicContact CD1-CD2 4.41Å; F120-L148 HydrophobicContact CD1-CD1 4.02Å; F120-L148 HydrophobicContact CD1-CG 4.25Å; F120-L148 HydrophobicContact CE1-CD1 4.22Å; F120-L148 HydrophobicContact CE1-CD2 4.18Å; F120-L148 HydrophobicContact CE1-CG 3.96Å; F120-V149 WeakPolarHBondContact CD1-O 3.19Å; F120-V149 PolarHBondContact N-O 2.83Å; F120-G150 VanDerWaalsContact CE1-CA 3.41Å; F120-G150 VanDerWaalsContact CZ-CA 3.47Å; F120-N151 WeakPolarHBondContact O-CB 3.4Å; F120-N151 PolarHBondContact O-N 3.39Å; F120-A166 HydrophobicContact CE1-CB 3.84Å; F120-A166 HydrophobicContact CE2-CB 4.23Å; F120-A166 HydrophobicContact CZ-CB 3.36Å; F120-F177 HydrophobicContact CE1-CD2 4.4Å; F120-F177 AromaticContact CE1-CE2 3.75Å; F120-F177 HydrophobicContact CE1-CE2 3.75Å; F120-F177 AromaticContact CZ-CE2 3.78Å; F120-F177 HydrophobicContact CZ-CE2 3.78Å; F120-F177 HydrophobicContact CZ-CZ 4.2Å
121	A	95.4	Very high	91.4	Very high	1 Å²	1	33 Å²	33	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.4	178.2	0	0	0	0	0	111.2	V52 D123 D124 S127 N151 K152	V52-A121 HydrophobicContact CB-CB 4.09Å; V52-A121 HydrophobicContact CG1-CB 4.22Å; A121-D123 WeakPolarHBondContact CB-OD1 3.42Å; A121-D123 PolarHBondContact O-N 3.17Å; A121-D124 CarbonylContact O-C 3.32Å; A121-D124 PolarHBondContact O-N 2.86Å; A121-D124 VanDerWaalsContact O-N 3.13Å; A121-D124 VanDerWaalsContact O-O 3.05Å; A121-S127 PolarHBondContact N-OG 3.25Å; A121-S127 PolarHBondContact O-OG 3Å; A121-N151 WeakPolarHBondContact CA-O 3.26Å; A121-K152 HydrophobicContact CB-CD 4.4Å; A121-K152 HydrophobicContact CB-CG 4.33Å
122	L	94.8	Very high	92.2	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.058	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.7	-174.7	-68.3	160.2	0	0	0	112.8	F120 G150 N151 C153 V156 E179	F120-L122 HydrophobicContact CE2-CD2 3.75Å; F120-L122 HydrophobicContact CE2-CG 4.22Å; F120-L122 HydrophobicContact CZ-CD2 3.87Å; F120-L122 HydrophobicContact CZ-CG 4.49Å; L122-G150 VanDerWaalsContact CD1-O 3.26Å; L122-G150 WeakPolarHBondContact CD1-O 3.5Å; L122-N151 PolarHBondContact N-O 2.77Å; L122-C153 HydrophobicContact CD1-CB 3.68Å; L122-V156 HydrophobicContact CB-CG2 3.77Å; L122-E179 HydrophobicContact CD1-CB 4.39Å; L122-E179 HydrophobicContact CD1-CG 4.11Å
123	D	93.4	Very high	92.8	Very high	72 Å²	72	34 Å²	34	39%	0.385	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.5	171.7	66.9	-37.7	0	0	0	113.8	A121 K152 L155	A121-D123 WeakPolarHBondContact CB-OD1 3.42Å; A121-D123 PolarHBondContact O-N 3.17Å; D123-K152 WeakPolarHBondContact OD1-CD 3.42Å; D123-K152 IonicContact OD1-NZ 2.64Å; D123-K152 PolarHBondContact OD1-NZ 3.31Å; D123-K152 IonicContact OD2-NZ 2.7Å; D123-K152 PolarHBondContact OD2-NZ 3.17Å; D123-L155 HydrophobicContact CB-CB 4.36Å; D123-L155 HydrophobicContact CB-CD1 4.3Å
124	D	92.7	Very high	92.6	Very high	54 Å²	54	35.6 Å²	35.6	29%	0.289	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-127.7	92.3	176.5	173.1	22.4	0	0	0	111.6	A121 S126 S127	A121-D124 CarbonylContact O-C 3.32Å; A121-D124 PolarHBondContact O-N 2.86Å; A121-D124 VanDerWaalsContact O-N 3.13Å; A121-D124 VanDerWaalsContact O-O 3.05Å; D124-S126 VanDerWaalsContact CG-OG 3.28Å; D124-S126 PolarHBondContact O-N 3.24Å; D124-S126 VanDerWaalsContact O-N 3.08Å; D124-S126 WeakPolarHBondContact OD1-CA 3.33Å; D124-S126 WeakPolarHBondContact OD1-CB 3.37Å; D124-S126 PolarHBondContact OD1-N 2.96Å; D124-S126 PolarHBondContact OD1-OG 2.91Å; D124-S126 PolarHBondContact OD2-OG 2.98Å; D124-S126 VanDerWaalsContact OD2-OG 3.1Å; D124-S127 WeakPolarHBondContact O-CB 3.48Å; D124-S127 PolarHBondContact O-N 2.85Å; D124-S127 PolarHBondContact O-OG 3.41Å; D124-S127 WeakPolarHBondContact OD2-CB 3.44Å; D124-S127 PolarHBondContact OD2-N 3.5Å
125	P	89.6	Confident	92.2	Very high	78 Å²	78	35 Å²	35	51%	0.506	18%	0.183	S	C	.	.	H	α-helix	trans	-57.8	-21.3	174.9	-25.9	35.3	0	0	0	114.6	S127 L128 A162	P125-S127 VanDerWaalsContact C-N 3.3Å; P125-S127 PolarHBondContact O-N 3Å; P125-L128 PolarHBondContact O-N 3.08Å; P125-A162 HydrophobicContact CG-CB 4.44Å
126	S	92.1	Very high	91.7	Very high	53 Å²	53	38.7 Å²	38.7	37%	0.371	21%	0.213	S	C	.	.	H	α-helix	trans	-70.6	-28.3	176.4	87.9	0	0	0	0	112.1	D124 L128 I129 Q130	D124-S126 VanDerWaalsContact CG-OG 3.28Å; D124-S126 PolarHBondContact O-N 3.24Å; D124-S126 VanDerWaalsContact O-N 3.08Å; D124-S126 WeakPolarHBondContact OD1-CA 3.33Å; D124-S126 WeakPolarHBondContact OD1-CB 3.37Å; D124-S126 PolarHBondContact OD1-N 2.96Å; D124-S126 PolarHBondContact OD1-OG 2.91Å; D124-S126 PolarHBondContact OD2-OG 2.98Å; D124-S126 VanDerWaalsContact OD2-OG 3.1Å; S126-L128 VanDerWaalsContact C-N 3.3Å; S126-L128 PolarHBondContact O-N 3.43Å; S126-I129 PolarHBondContact O-N 3.3Å; S126-Q130 WeakPolarHBondContact O-CG 3.29Å; S126-Q130 PolarHBondContact O-N 2.91Å; S126-Q130 PolarHBondContact OG-NE2 2.88Å
127	S	93.5	Very high	91.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-33.3	177.7	70.6	0	0	0	0	112.8	A121 D124 P125 Q130 L131	A121-S127 PolarHBondContact N-OG 3.25Å; A121-S127 PolarHBondContact O-OG 3Å; D124-S127 WeakPolarHBondContact O-CB 3.48Å; D124-S127 PolarHBondContact O-N 2.85Å; D124-S127 PolarHBondContact O-OG 3.41Å; D124-S127 WeakPolarHBondContact OD2-CB 3.44Å; D124-S127 PolarHBondContact OD2-N 3.5Å; P125-S127 VanDerWaalsContact C-N 3.3Å; P125-S127 PolarHBondContact O-N 3Å; S127-Q130 PolarHBondContact O-N 3.39Å; S127-L131 WeakPolarHBondContact O-CB 3.4Å; S127-L131 PolarHBondContact O-N 3.03Å
128	L	93.6	Very high	90.1	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-40.5	174.1	-174.7	64.4	0	0	0	111.3	F120 P125 S126 L131 Q132 L148 A165 A166 L169	F120-L128 HydrophobicContact CB-CB 4.34Å; F120-L128 HydrophobicContact CB-CD1 4.35Å; F120-L128 HydrophobicContact CD1-CD1 3.69Å; F120-L128 HydrophobicContact CD2-CB 3.89Å; F120-L128 HydrophobicContact CD2-CD1 4.04Å; F120-L128 HydrophobicContact CD2-CG 4.44Å; F120-L128 HydrophobicContact CE1-CD1 3.94Å; F120-L128 HydrophobicContact CE2-CB 4.47Å; F120-L128 HydrophobicContact CE2-CD1 4.26Å; F120-L128 HydrophobicContact CG-CB 4.14Å; F120-L128 HydrophobicContact CG-CD1 3.75Å; F120-L128 HydrophobicContact CZ-CD1 4.24Å; P125-L128 PolarHBondContact O-N 3.08Å; S126-L128 VanDerWaalsContact C-N 3.3Å; S126-L128 PolarHBondContact O-N 3.43Å; L128-L131 PolarHBondContact O-N 3.04Å; L128-Q132 WeakPolarHBondContact O-CG 3.37Å; L128-Q132 PolarHBondContact O-N 3.22Å; L128-L148 HydrophobicContact CD1-CD1 4.45Å; L128-A165 HydrophobicContact CD2-CB 4.13Å; L128-A166 HydrophobicContact CD1-CB 4.49Å; L128-A166 HydrophobicContact CD2-CB 4.23Å; L128-L169 HydrophobicContact CD1-CD2 3.65Å; L128-L169 HydrophobicContact CG-CD2 4.2Å
129	I	92.4	Very high	88.9	Confident	91 Å²	91	44.6 Å²	44.6	47%	0.467	25%	0.252	S	S	.	.	H	α-helix	trans	-66.8	-40.4	176.2	-55.2	174.9	0	0	0	110.3	S126 L131 Q132 Q133	S126-I129 PolarHBondContact O-N 3.3Å; I129-L131 VanDerWaalsContact C-N 3.34Å; I129-L131 PolarHBondContact O-N 2.73Å; I129-Q132 WeakPolarHBondContact O-CB 3.14Å; I129-Q132 PolarHBondContact O-N 3.01Å; I129-Q133 WeakPolarHBondContact O-CG 3.24Å; I129-Q133 PolarHBondContact O-N 3Å
130	Q	90.4	Very high	87.2	Confident	78 Å²	78	50.1 Å²	50.1	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-39.2	173.7	-68.7	174.5	62.4	0	0	111.8	A49 S126 S127 Q133 I134	A49-Q130 HydrophobicContact CB-CB 4.12Å; S126-Q130 WeakPolarHBondContact O-CG 3.29Å; S126-Q130 PolarHBondContact O-N 2.91Å; S126-Q130 PolarHBondContact OG-NE2 2.88Å; S127-Q130 PolarHBondContact O-N 3.39Å; Q130-Q133 WeakPolarHBondContact O-CB 3.46Å; Q130-Q133 PolarHBondContact O-N 2.96Å; Q130-I134 WeakPolarHBondContact O-CG1 3.29Å; Q130-I134 PolarHBondContact O-N 2.88Å
131	L	90.3	Very high	85.5	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-39.5	174.8	-177.7	61	0	0	0	112.3	V47 G118 F120 S127 L128 I129 Q133 I134 W135 L148	V47-L131 HydrophobicContact CG2-CD1 4.06Å; G118-L131 WeakPolarHBondContact O-CD2 3.42Å; F120-L131 HydrophobicContact CB-CD2 4.22Å; F120-L131 HydrophobicContact CD1-CD2 4.41Å; S127-L131 WeakPolarHBondContact O-CB 3.4Å; S127-L131 PolarHBondContact O-N 3.03Å; L128-L131 PolarHBondContact O-N 3.04Å; I129-L131 VanDerWaalsContact C-N 3.34Å; I129-L131 PolarHBondContact O-N 2.73Å; L131-Q133 VanDerWaalsContact C-N 3.33Å; L131-Q133 PolarHBondContact O-N 2.96Å; L131-I134 PolarHBondContact O-N 2.92Å; L131-W135 WeakPolarHBondContact O-CB 3.47Å; L131-W135 PolarHBondContact O-N 3.41Å; L131-L148 HydrophobicContact CD2-CD1 3.5Å; L131-L148 VanDerWaalsContact CD2-CD1 3.5Å
132	Q	90.5	Very high	84.1	Confident	71 Å²	71	59.8 Å²	59.8	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-59.1	-42.3	170.8	-69.8	172.2	5.7	0	0	112.1	L128 I129 W135 A136 L169 W173	L128-Q132 WeakPolarHBondContact O-CG 3.37Å; L128-Q132 PolarHBondContact O-N 3.22Å; I129-Q132 WeakPolarHBondContact O-CB 3.14Å; I129-Q132 PolarHBondContact O-N 3.01Å; Q132-W135 PolarHBondContact O-N 3.14Å; Q132-A136 VanDerWaalsContact O-CB 3.3Å; Q132-A136 WeakPolarHBondContact O-CB 3.37Å; Q132-A136 PolarHBondContact O-N 2.96Å; Q132-L169 HydrophobicContact CG-CD1 3.95Å; Q132-L169 HydrophobicContact CG-CD2 3.69Å; Q132-L169 HydrophobicContact CG-CG 4.47Å; Q132-W173 HydrophobicContact CB-CZ2 4.32Å; Q132-W173 HydrophobicContact CG-CH2 4.06Å; Q132-W173 HydrophobicContact CG-CZ2 3.89Å
133	Q	88.6	Confident	83.1	Confident	125 Å²	125	62.5 Å²	62.5	58%	0.584	36%	0.359	S	S	*	.	H	α-helix	trans	-65.7	-37.8	176.6	-69.2	170.9	8.1	0	0	112.2	I129 Q130 L131 T137	I129-Q133 WeakPolarHBondContact O-CG 3.24Å; I129-Q133 PolarHBondContact O-N 3Å; Q130-Q133 WeakPolarHBondContact O-CB 3.46Å; Q130-Q133 PolarHBondContact O-N 2.96Å; L131-Q133 VanDerWaalsContact C-N 3.33Å; L131-Q133 PolarHBondContact O-N 2.96Å; Q133-T137 WeakPolarHBondContact O-CG2 3.24Å
134	I	84.3	Confident	82.8	Confident	46 Å²	46	61.4 Å²	61.4	24%	0.236	35%	0.352	C	S	.	.	H	α-helix	trans	-61.4	-55.9	172.9	-68.9	165.3	0	0	0	109.6	Q130 L131 A136 T137 W138	Q130-I134 WeakPolarHBondContact O-CG1 3.29Å; Q130-I134 PolarHBondContact O-N 2.88Å; L131-I134 PolarHBondContact O-N 2.92Å; I134-A136 PolarHBondContact O-N 3.21Å; I134-T137 PolarHBondContact O-N 3.39Å; I134-T137 PolarHBondContact O-OG1 2.82Å; I134-W138 HydrophobicContact CG2-CZ2 3.69Å; I134-W138 VanDerWaalsContact O-CD1 3.25Å; I134-W138 PolarHBondContact O-NE1 3.42Å
135	W	84.1	Confident	82.8	Confident	39 Å²	39	59.6 Å²	59.6	15%	0.148	34%	0.343	C	S	.	.	H	α-helix	trans	-56.4	-44.9	-178.9	-177.5	-106	0	0	0	112.8	L131 Q132 T137 W138 P142 L146 W173	L131-W135 WeakPolarHBondContact O-CB 3.47Å; L131-W135 PolarHBondContact O-N 3.41Å; Q132-W135 PolarHBondContact O-N 3.14Å; W135-T137 PolarHBondContact O-N 2.99Å; W135-W138 HydrophobicContact CD2-CE3 4.41Å; W135-W138 HydrophobicContact CE3-CD2 4.28Å; W135-W138 AromaticContact CE3-CE3 3.42Å; W135-W138 HydrophobicContact CE3-CE3 3.42Å; W135-W138 VanDerWaalsContact CE3-CE3 3.42Å; W135-W138 HydrophobicContact CE3-CH2 4.37Å; W135-W138 AromaticContact CE3-CZ3 3.48Å; W135-W138 HydrophobicContact CE3-CZ3 3.48Å; W135-W138 VanDerWaalsContact CE3-CZ3 3.48Å; W135-W138 AromaticContact CZ3-CE3 3.64Å; W135-W138 HydrophobicContact CZ3-CE3 3.64Å; W135-W138 AromaticContact CZ3-CZ3 3.54Å; W135-W138 HydrophobicContact CZ3-CZ3 3.54Å; W135-W138 WeakPolarHBondContact O-CB 3.29Å; W135-W138 PolarHBondContact O-N 3.04Å; W135-P142 HydrophobicContact CH2-CB 4.33Å; W135-P142 HydrophobicContact CH2-CG 3.31Å; W135-P142 HydrophobicContact CZ2-CG 3.5Å; W135-P142 VanDerWaalsContact CZ2-CG 3.5Å; W135-P142 HydrophobicContact CZ3-CG 3.88Å; W135-L146 HydrophobicContact CD2-CD2 4.3Å; W135-L146 HydrophobicContact CE3-CD1 4.48Å; W135-L146 HydrophobicContact CE3-CD2 3.96Å; W135-L146 HydrophobicContact CH2-CB 3.72Å; W135-L146 HydrophobicContact CH2-CD2 3.73Å; W135-L146 HydrophobicContact CH2-CG 4.22Å; W135-L146 HydrophobicContact CZ2-CD2 4.07Å; W135-L146 HydrophobicContact CZ3-CB 3.9Å; W135-L146 HydrophobicContact CZ3-CD1 4.04Å; W135-L146 HydrophobicContact CZ3-CD2 3.68Å; W135-L146 HydrophobicContact CZ3-CG 4.07Å; W135-W173 HydrophobicContact CB-CH2 3.78Å; W135-W173 HydrophobicContact CB-CZ2 3.96Å; W135-W173 HydrophobicContact CB-CZ3 4.46Å; W135-W173 AromaticContact CD1-CD2 3.91Å; W135-W173 AromaticContact CD1-CE2 3.37Å; W135-W173 AromaticContact CD1-CH2 3.89Å; W135-W173 AromaticContact CD1-CZ2 3.35Å; W135-W173 AromaticContact CD1-NE1 3.75Å; W135-W173 HydrophobicContact CG-CD2 4.47Å; W135-W173 AromaticContact CG-CH2 3.82Å; W135-W173 HydrophobicContact CG-CH2 3.82Å; W135-W173 AromaticContact CG-CZ2 3.77Å; W135-W173 HydrophobicContact CG-CZ2 3.77Å; W135-W173 HydrophobicContact CG-CZ3 4.23Å; W135-W173 AromaticContact NE1-CD1 3.92Å; W135-W173 AromaticContact NE1-CD2 3.7Å; W135-W173 AromaticContact NE1-CE2 3.58Å; W135-W173 AromaticContact NE1-CG 3.89Å; W135-W173 AromaticContact NE1-NE1 3.74Å
136	A	84.5	Confident	83	Confident	76 Å²	76	56.5 Å²	56.5	63%	0.628	32%	0.322	S	S	*	.	H	α-helix	trans	-59.8	-20	178.6	0	0	0	0	0	114.1	Q132 I134	Q132-A136 VanDerWaalsContact O-CB 3.3Å; Q132-A136 WeakPolarHBondContact O-CB 3.37Å; Q132-A136 PolarHBondContact O-N 2.96Å; I134-A136 PolarHBondContact O-N 3.21Å
137	T	80.1	Confident	83.2	Confident	50 Å²	50	54 Å²	54	31%	0.307	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	3.7	176.4	62.8	0	0	0	0	114.7	R106 Q133 I134 W135	R106-T137 PolarHBondContact NH1-OG1 3.38Å; R106-T137 PolarHBondContact NH2-O 3.48Å; Q133-T137 WeakPolarHBondContact O-CG2 3.24Å; I134-T137 PolarHBondContact O-N 3.39Å; I134-T137 PolarHBondContact O-OG1 2.82Å; W135-T137 PolarHBondContact O-N 2.99Å
138	W	75.4	Confident	83.4	Confident	39 Å²	39	54 Å²	54	15%	0.148	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-3.9	178.9	-57	-2.3	0	0	0	113	V47 L110 V116 I134 W135	V47-W138 HydrophobicContact CB-CH2 4.38Å; V47-W138 HydrophobicContact CB-CZ2 4.36Å; V47-W138 HydrophobicContact CG1-CH2 4.01Å; V47-W138 HydrophobicContact CG1-CZ2 4.03Å; V47-W138 HydrophobicContact CG2-CH2 3.74Å; V47-W138 HydrophobicContact CG2-CZ2 4.06Å; L110-W138 HydrophobicContact CD1-CD2 3.62Å; L110-W138 HydrophobicContact CD1-CE3 4.19Å; L110-W138 HydrophobicContact CD1-CG 3.78Å; L110-W138 HydrophobicContact CD1-CZ2 4.02Å; L110-W138 HydrophobicContact CD2-CD2 4.13Å; L110-W138 HydrophobicContact CD2-CE3 3.9Å; L110-W138 HydrophobicContact CD2-CH2 3.56Å; L110-W138 HydrophobicContact CD2-CZ2 3.85Å; L110-W138 HydrophobicContact CD2-CZ3 3.61Å; L110-W138 HydrophobicContact CG-CZ2 4.48Å; V116-W138 HydrophobicContact CB-CZ3 4.35Å; V116-W138 HydrophobicContact CG1-CH2 3.59Å; V116-W138 HydrophobicContact CG1-CZ3 3.77Å; V116-W138 HydrophobicContact CG2-CH2 4.24Å; V116-W138 HydrophobicContact CG2-CZ3 3.9Å; I134-W138 HydrophobicContact CG2-CZ2 3.69Å; I134-W138 VanDerWaalsContact O-CD1 3.25Å; I134-W138 PolarHBondContact O-NE1 3.42Å; W135-W138 HydrophobicContact CD2-CE3 4.41Å; W135-W138 HydrophobicContact CE3-CD2 4.28Å; W135-W138 AromaticContact CE3-CE3 3.42Å; W135-W138 HydrophobicContact CE3-CE3 3.42Å; W135-W138 VanDerWaalsContact CE3-CE3 3.42Å; W135-W138 HydrophobicContact CE3-CH2 4.37Å; W135-W138 AromaticContact CE3-CZ3 3.48Å; W135-W138 HydrophobicContact CE3-CZ3 3.48Å; W135-W138 VanDerWaalsContact CE3-CZ3 3.48Å; W135-W138 AromaticContact CZ3-CE3 3.64Å; W135-W138 HydrophobicContact CZ3-CE3 3.64Å; W135-W138 AromaticContact CZ3-CZ3 3.54Å; W135-W138 HydrophobicContact CZ3-CZ3 3.54Å; W135-W138 WeakPolarHBondContact O-CB 3.29Å; W135-W138 PolarHBondContact O-N 3.04Å
139	G	69	Low	83.6	Confident	37 Å²	37	53.6 Å²	53.6	38%	0.381	30%	0.303	S	S	.	.			trans	98.3	178.1	-177.3	0	0	0	0	0	113	H141	G139-H141 PolarHBondContact O-N 2.93Å
140	P	60.9	Low	83.9	Confident	116 Å²	116	49.2 Å²	49.2	75%	0.753	28%	0.28	S	S	*	.	S	Bend	trans	-72.3	-27.6	-171.8	28.2	-35.1	0	0	0	113.7
141	H	59.7	Low	84.2	Confident	171 Å²	171	45.7 Å²	45.7	79%	0.792	26%	0.264	S	S	*	.			trans	-143.3	83.9	-174.6	-57.3	-49.5	0	0	0	110.2	G139	G139-H141 PolarHBondContact O-N 2.93Å
142	P	65.9	Low	84.5	Confident	36 Å²	36	47.6 Å²	47.6	23%	0.234	27%	0.272	C	S	.	.			trans	-60.1	144.9	164.2	25.5	-31.4	0	0	0	109.9	W135	W135-P142 HydrophobicContact CH2-CB 4.33Å; W135-P142 HydrophobicContact CH2-CG 3.31Å; W135-P142 HydrophobicContact CZ2-CG 3.5Å; W135-P142 VanDerWaalsContact CZ2-CG 3.5Å; W135-P142 HydrophobicContact CZ3-CG 3.88Å
143	A	74.7	Confident	84.7	Confident	67 Å²	67	45 Å²	45	55%	0.554	26%	0.261	S	S	*	.	S	Bend	trans	-84.8	-19.7	-175.9	0	0	0	0	0	113
144	Q	86.7	Confident	85	Confident	49 Å²	49	41.9 Å²	41.9	23%	0.229	25%	0.249	C	C	.	.	S	Bend	trans	-84.7	139.3	-177.7	-66.8	80	1.6	0	0	111.4	L110 C113 V116	L110-Q144 PolarHBondContact O-NE2 3.36Å; C113-Q144 WeakPolarHBondContact O-CG 3.26Å; C113-Q144 PolarHBondContact O-NE2 3.16Å; V116-Q144 HydrophobicContact CG2-CB 4.21Å
145	P	93	Very high	85.3	Confident	16 Å²	16	44.4 Å²	44.4	10%	0.104	26%	0.262	C	S	.	.			trans	-63.1	147.5	168.7	27.3	-34	0	0	0	111.8	D114 V116 E198 I199 V202	D114-P145 WeakPolarHBondContact O-CD 3.45Å; V116-P145 PolarHBondContact N-O 2.82Å; P145-E198 HydrophobicContact CB-CB 3.72Å; P145-E198 HydrophobicContact CG-CB 4.15Å; P145-I199 HydrophobicContact CG-CG1 3.85Å; P145-V202 HydrophobicContact CB-CG2 4.35Å; P145-V202 HydrophobicContact CG-CG2 4.29Å
146	L	93.3	Very high	85.5	Confident	13 Å²	13	45 Å²	45	7%	0.068	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.2	175.7	175.4	71.4	0	0	0	109.7	V116 W135 W173 A175	V116-L146 HydrophobicContact CB-CD1 3.97Å; V116-L146 HydrophobicContact CG1-CD1 3.6Å; V116-L146 WeakPolarHBondContact O-CA 3.15Å; W135-L146 HydrophobicContact CD2-CD2 4.3Å; W135-L146 HydrophobicContact CE3-CD1 4.48Å; W135-L146 HydrophobicContact CE3-CD2 3.96Å; W135-L146 HydrophobicContact CH2-CB 3.72Å; W135-L146 HydrophobicContact CH2-CD2 3.73Å; W135-L146 HydrophobicContact CH2-CG 4.22Å; W135-L146 HydrophobicContact CZ2-CD2 4.07Å; W135-L146 HydrophobicContact CZ3-CB 3.9Å; W135-L146 HydrophobicContact CZ3-CD1 4.04Å; W135-L146 HydrophobicContact CZ3-CD2 3.68Å; W135-L146 HydrophobicContact CZ3-CG 4.07Å; L146-W173 HydrophobicContact CD2-CD2 4.44Å; L146-W173 HydrophobicContact CD2-CE3 3.44Å; L146-W173 VanDerWaalsContact CD2-CE3 3.44Å; L146-W173 HydrophobicContact CD2-CZ3 3.82Å; L146-A175 HydrophobicContact CB-CB 4.22Å; L146-A175 HydrophobicContact CD2-CB 4.06Å; L146-A175 HydrophobicContact CG-CB 4.18Å; L146-A175 WeakPolarHBondContact O-CB 3.47Å
147	V	97.1	Very high	85	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.3	158.5	176.2	0	0	0	0	108.3	V116 L117 G118 V149 H176 V178 L194 L195	V116-V147 PolarHBondContact O-N 2.78Å; L117-V147 HydrophobicContact CD1-CB 4.09Å; L117-V147 HydrophobicContact CD1-CG1 4.25Å; G118-V147 PolarHBondContact N-O 2.67Å; V147-V149 HydrophobicContact CG1-CG2 4.24Å; V147-H176 HydrophobicContact CG2-CB 4.45Å; V147-V178 HydrophobicContact CG1-CG2 4.16Å; V147-L194 HydrophobicContact CG1-CD2 4.47Å; V147-L194 HydrophobicContact CG2-CG 4.21Å; V147-L195 HydrophobicContact CB-CB 4.46Å; V147-L195 HydrophobicContact CG2-CB 3.93Å; V147-L195 HydrophobicContact CG2-CD1 4.09Å
148	L	97.3	Very high	84.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.6	174.9	-174.6	72	0	0	0	109.2	F120 L128 L131 A166 L169 A170 W173 H176 F177 V178	F120-L148 HydrophobicContact CD1-CD1 4.02Å; F120-L148 HydrophobicContact CD1-CG 4.25Å; F120-L148 HydrophobicContact CE1-CD1 4.22Å; F120-L148 HydrophobicContact CE1-CD2 4.18Å; F120-L148 HydrophobicContact CE1-CG 3.96Å; L128-L148 HydrophobicContact CD1-CD1 4.45Å; L131-L148 HydrophobicContact CD2-CD1 3.5Å; L131-L148 VanDerWaalsContact CD2-CD1 3.5Å; L148-A166 HydrophobicContact CD2-CB 4.13Å; L148-A166 WeakPolarHBondContact CD2-O 3.38Å; L148-L169 HydrophobicContact CD2-CD2 4.49Å; L148-A170 HydrophobicContact CB-CB 4.39Å; L148-A170 HydrophobicContact CD2-CB 3.89Å; L148-W173 HydrophobicContact CD1-CZ3 4.22Å; L148-H176 WeakPolarHBondContact CB-O 3.49Å; L148-H176 PolarHBondContact N-O 3.03Å; L148-F177 HydrophobicContact CB-CD2 4.33Å; L148-F177 HydrophobicContact CD2-CD2 3.96Å; L148-F177 HydrophobicContact CD2-CG 4.48Å; L148-F177 HydrophobicContact CG-CD2 4.07Å; L148-F177 WeakPolarHBondContact O-CA 3.39Å; L148-V178 PolarHBondContact O-N 3.45Å
149	V	98	Very high	84.4	Confident	0 Å²	0	53 Å²	53	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	116.2	-174.7	173.8	0	0	0	0	110.6	L57 L117 G118 V119 F120 V147 V178 T180 A191	L57-V149 HydrophobicContact CD1-CG1 3.92Å; L117-V149 HydrophobicContact CD1-CG2 3.58Å; L117-V149 HydrophobicContact CD2-CG2 4.18Å; L117-V149 HydrophobicContact CG-CG2 3.7Å; G118-V149 PolarHBondContact O-N 2.83Å; V119-V149 WeakPolarHBondContact CA-O 3.5Å; V119-V149 HydrophobicContact CG1-CG1 4.39Å; V119-V149 HydrophobicContact CG2-CB 4.2Å; V119-V149 HydrophobicContact CG2-CG1 4.39Å; F120-V149 WeakPolarHBondContact CD1-O 3.19Å; F120-V149 PolarHBondContact N-O 2.83Å; V147-V149 HydrophobicContact CG1-CG2 4.24Å; V149-V178 WeakPolarHBondContact CA-O 3.46Å; V149-T180 HydrophobicContact CG1-CG2 3.68Å; V149-T180 WeakPolarHBondContact CG1-OG1 3.49Å; V149-A191 HydrophobicContact CG2-CB 3.92Å
150	G	97.4	Very high	84.7	Confident	0 Å²	0	53 Å²	53	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	96.8	171.2	0	0	0	0	0	110	F120 L122 V178 E179 T180	F120-G150 VanDerWaalsContact CE1-CA 3.41Å; F120-G150 VanDerWaalsContact CZ-CA 3.47Å; L122-G150 VanDerWaalsContact CD1-O 3.26Å; L122-G150 WeakPolarHBondContact CD1-O 3.5Å; G150-V178 PolarHBondContact N-O 3.13Å; G150-E179 WeakPolarHBondContact O-CA 3.3Å; G150-T180 PolarHBondContact O-N 2.89Å
151	N	97.4	Very high	85.6	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	167	-179.2	-165	22.3	0	0	0	112.5	V52 L57 V119 F120 A121 L122 T180 A182	V52-N151 PolarHBondContact O-ND2 3.31Å; L57-N151 HydrophobicContact CD1-CB 4.18Å; V119-N151 HydrophobicContact CG1-CB 3.99Å; F120-N151 WeakPolarHBondContact O-CB 3.4Å; F120-N151 PolarHBondContact O-N 3.39Å; A121-N151 WeakPolarHBondContact CA-O 3.26Å; L122-N151 PolarHBondContact N-O 2.77Å; N151-T180 CarbonylContact C-O 3.55Å; N151-T180 VanDerWaalsContact C-O 3.31Å; N151-T180 VanDerWaalsContact CA-O 3.27Å; N151-T180 WeakPolarHBondContact CA-O 3.11Å; N151-T180 WeakPolarHBondContact CA-OG1 3.47Å; N151-T180 PolarHBondContact OD1-O 2.91Å; N151-T180 PolarHBondContact OD1-OG1 2.98Å; N151-A182 PolarHBondContact OD1-N 2.79Å
152	K	95.8	Very high	86.7	Confident	45 Å²	45	47.4 Å²	47.4	20%	0.196	30%	0.297	C	S	.	.			trans	62	35.5	-178.6	-41.9	-165.7	-144.8	127.7	0	114.2	G51 A121 D123 D154 L155 T180	G51-K152 WeakPolarHBondContact O-CE 3.27Å; A121-K152 HydrophobicContact CB-CD 4.4Å; A121-K152 HydrophobicContact CB-CG 4.33Å; D123-K152 WeakPolarHBondContact OD1-CD 3.42Å; D123-K152 IonicContact OD1-NZ 2.64Å; D123-K152 PolarHBondContact OD1-NZ 3.31Å; D123-K152 IonicContact OD2-NZ 2.7Å; D123-K152 PolarHBondContact OD2-NZ 3.17Å; K152-D154 WeakPolarHBondContact CA-OD1 3.23Å; K152-D154 PolarHBondContact O-N 2.83Å; K152-D154 VanDerWaalsContact O-N 3.13Å; K152-L155 HydrophobicContact CB-CD1 4.03Å; K152-L155 HydrophobicContact CB-CG 4.17Å; K152-L155 HydrophobicContact CD-CD1 3.79Å; K152-L155 PolarHBondContact O-N 2.79Å; K152-T180 PolarHBondContact N-O 2.76Å
153	C	95.1	Very high	87.7	Confident	16 Å²	16	48.8 Å²	48.8	11%	0.108	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-58.9	-23	174.9	65.1	0	0	0	0	113	L122 L155 V156 E179 T180	L122-C153 HydrophobicContact CD1-CB 3.68Å; C153-L155 PolarHBondContact O-N 2.96Å; C153-V156 PolarHBondContact O-N 3.04Å; C153-V156 VanDerWaalsContact O-N 3.1Å; C153-E179 HydrophobicContact CB-CB 4.31Å; C153-T180 PolarHBondContact N-O 3.25Å; C153-T180 VanDerWaalsContact N-O 3.13Å; C153-T180 PolarHBondContact SG-O 3.11Å; C153-T180 VanDerWaalsContact SG-O 3.35Å
154	D	94.6	Very high	88.5	Confident	61 Å²	61	48.5 Å²	48.5	33%	0.326	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-64.7	-17.7	173.2	60.9	-68.4	0	0	0	114.6	K152 S181 T184	K152-D154 WeakPolarHBondContact CA-OD1 3.23Å; K152-D154 PolarHBondContact O-N 2.83Å; K152-D154 VanDerWaalsContact O-N 3.13Å; D154-S181 WeakPolarHBondContact OD1-CB 3.42Å; D154-S181 PolarHBondContact OD1-OG 2.97Å; D154-T184 HydrophobicContact CB-CG2 3.9Å
155	L	92.3	Very high	88.8	Confident	98 Å²	98	48.4 Å²	48.4	51%	0.513	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-91.3	-5.7	174.6	-55.9	-174.8	0	0	0	113.1	D123 K152 C153	D123-L155 HydrophobicContact CB-CB 4.36Å; D123-L155 HydrophobicContact CB-CD1 4.3Å; K152-L155 HydrophobicContact CB-CD1 4.03Å; K152-L155 HydrophobicContact CB-CG 4.17Å; K152-L155 HydrophobicContact CD-CD1 3.79Å; K152-L155 PolarHBondContact O-N 2.79Å; C153-L155 PolarHBondContact O-N 2.96Å
156	V	87.9	Confident	88.8	Confident	52 Å²	52	47.7 Å²	47.7	32%	0.315	30%	0.301	S	S	.	.			trans	-114.7	106.4	-172.7	178.4	0	0	0	0	110.5	L122 C153 T158	L122-V156 HydrophobicContact CB-CG2 3.77Å; C153-V156 PolarHBondContact O-N 3.04Å; C153-V156 VanDerWaalsContact O-N 3.1Å; V156-T158 VanDerWaalsContact CG1-O 3.29Å; V156-T158 WeakPolarHBondContact CG1-O 3.21Å
157	T	74.5	Confident	88.8	Confident	140 Å²	140	49 Å²	49	86%	0.859	31%	0.314	S	S	*	.	S	Bend	trans	-81.2	-13.7	-173.1	52.8	0	0	0	0	114.8
158	T	72.9	Confident	88.7	Confident	105 Å²	105	51.9 Å²	51.9	64%	0.644	34%	0.338	S	S	*	.	S	Bend	trans	-147	136.7	178.1	53.9	0	0	0	0	110.4	V156 G160	V156-T158 VanDerWaalsContact CG1-O 3.29Å; V156-T158 WeakPolarHBondContact CG1-O 3.21Å; T158-G160 PolarHBondContact O-N 3.45Å
159	A	68.5	Low	88.6	Confident	88 Å²	88	52.8 Å²	52.8	73%	0.727	34%	0.342	S	S	*	.			trans	-62.1	103.6	173.2	0	0	0	0	0	110.7
160	G	75.8	Confident	88.4	Confident	37 Å²	37	52.9 Å²	52.9	38%	0.381	34%	0.343	S	S	.	.			trans	-107.2	-169	-178.9	0	0	0	0	0	113.4	T158 A162 H163 A164	T158-G160 PolarHBondContact O-N 3.45Å; G160-A162 PolarHBondContact O-N 2.85Å; G160-H163 WeakPolarHBondContact O-CB 3.44Å; G160-H163 PolarHBondContact O-N 3.44Å; G160-A164 PolarHBondContact O-N 3.37Å
161	D	80.6	Confident	88.2	Confident	149 Å²	149	60.8 Å²	60.8	80%	0.797	38%	0.38	S	S	*	.	H	α-helix	trans	-54.5	-31.1	-173.6	-58.1	-36.7	0	0	0	113.9	H163 A164 A165	D161-H163 PolarHBondContact O-N 3.48Å; D161-A164 PolarHBondContact O-N 3.28Å; D161-A165 VanDerWaalsContact O-CB 3.24Å; D161-A165 WeakPolarHBondContact O-CB 3.34Å; D161-A165 PolarHBondContact O-N 2.69Å
162	A	82	Confident	88	Confident	21 Å²	21	64.5 Å²	64.5	17%	0.174	41%	0.406	C	S	.	.	H	α-helix	trans	-61.7	-39.8	176.4	0	0	0	0	0	113.1	P125 G160 A166	P125-A162 HydrophobicContact CG-CB 4.44Å; G160-A162 PolarHBondContact O-N 2.85Å; A162-A166 VanDerWaalsContact O-CB 3.29Å; A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 2.98Å
163	H	88	Confident	87.8	Confident	64 Å²	64	65.4 Å²	65.4	30%	0.296	41%	0.408	S	S	.	.	H	α-helix	trans	-67.3	-47.5	175.9	179.2	106.2	0	0	0	110.6	G160 D161 A165 A166 A167 F177 E179	G160-H163 WeakPolarHBondContact O-CB 3.44Å; G160-H163 PolarHBondContact O-N 3.44Å; D161-H163 PolarHBondContact O-N 3.48Å; H163-A165 VanDerWaalsContact C-N 3.34Å; H163-A165 PolarHBondContact O-N 3.26Å; H163-A166 PolarHBondContact O-N 3.47Å; H163-A167 WeakPolarHBondContact O-CB 3.43Å; H163-A167 PolarHBondContact O-N 3.1Å; H163-F177 AromaticContact CE1-CE1 3.89Å; H163-F177 AromaticContact ND1-CE1 3.9Å; H163-E179 IonicContact CE1-OE1 3.89Å; H163-E179 IonicContact CE1-OE2 3.61Å; H163-E179 IonicContact CG-OE1 3.63Å; H163-E179 IonicContact ND1-OE1 3.82Å; H163-E179 PolarHBondContact ND1-OE1 2.91Å; H163-E179 IonicContact ND1-OE2 2.73Å
164	A	90.9	Very high	87.6	Confident	61 Å²	61	67.6 Å²	67.6	50%	0.504	43%	0.434	S	S	.	.	H	α-helix	trans	-62.1	-41.3	179.1	0	0	0	0	0	112	G160 D161 A168	G160-A164 PolarHBondContact O-N 3.37Å; D161-A164 PolarHBondContact O-N 3.28Å; A164-A168 WeakPolarHBondContact O-CB 3.13Å; A164-A168 PolarHBondContact O-N 2.84Å
165	A	91.9	Very high	87.6	Confident	48 Å²	48	65.5 Å²	65.5	40%	0.397	43%	0.425	S	S	.	.	H	α-helix	trans	-64.9	-42.1	175	0	0	0	0	0	112.3	L128 D161 H163 L169	L128-A165 HydrophobicContact CD2-CB 4.13Å; D161-A165 VanDerWaalsContact O-CB 3.24Å; D161-A165 WeakPolarHBondContact O-CB 3.34Å; D161-A165 PolarHBondContact O-N 2.69Å; H163-A165 VanDerWaalsContact C-N 3.34Å; H163-A165 PolarHBondContact O-N 3.26Å; A165-L169 VanDerWaalsContact O-CB 3.24Å; A165-L169 WeakPolarHBondContact O-CB 3.47Å; A165-L169 PolarHBondContact O-N 2.82Å
166	A	93.4	Very high	87.7	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-66.3	-43.8	177.4	0	0	0	0	0	112.6	F120 L128 L148 A162 H163 L169 A170 F177	F120-A166 HydrophobicContact CE1-CB 3.84Å; F120-A166 HydrophobicContact CE2-CB 4.23Å; F120-A166 HydrophobicContact CZ-CB 3.36Å; L128-A166 HydrophobicContact CD1-CB 4.49Å; L128-A166 HydrophobicContact CD2-CB 4.23Å; L148-A166 HydrophobicContact CD2-CB 4.13Å; L148-A166 WeakPolarHBondContact CD2-O 3.38Å; A162-A166 VanDerWaalsContact O-CB 3.29Å; A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 2.98Å; H163-A166 PolarHBondContact O-N 3.47Å; A166-L169 PolarHBondContact O-N 2.91Å; A166-A170 WeakPolarHBondContact O-CB 3.29Å; A166-A170 PolarHBondContact O-N 3.35Å; A166-F177 HydrophobicContact CB-CD2 4.3Å; A166-F177 HydrophobicContact CB-CE1 4.11Å; A166-F177 HydrophobicContact CB-CE2 3.82Å; A166-F177 HydrophobicContact CB-CZ 3.71Å
167	A	94	Very high	88.2	Confident	40 Å²	40	64.6 Å²	64.6	33%	0.331	41%	0.414	S	S	.	.	H	α-helix	trans	-62.9	-43.5	176.2	0	0	0	0	0	112	H163 H171 F177	H163-A167 WeakPolarHBondContact O-CB 3.43Å; H163-A167 PolarHBondContact O-N 3.1Å; A167-H171 WeakPolarHBondContact O-CB 3.5Å; A167-H171 PolarHBondContact O-N 3.26Å; A167-H171 VanDerWaalsContact O-N 3.08Å; A167-F177 HydrophobicContact CB-CD1 4.17Å
168	A	95	Very high	89.3	Confident	62 Å²	62	58.3 Å²	58.3	51%	0.512	38%	0.376	S	S	.	.	H	α-helix	trans	-64.2	-39.3	174.7	0	0	0	0	0	112.3	A164 S172	A164-A168 WeakPolarHBondContact O-CB 3.13Å; A164-A168 PolarHBondContact O-N 2.84Å; A168-S172 PolarHBondContact O-N 2.91Å
169	L	93.8	Very high	90.4	Very high	18 Å²	18	56.3 Å²	56.3	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-64.4	-49.5	176.6	-174.7	68.7	0	0	0	111.8	L128 Q132 L148 A165 A166 H171 S172 W173	L128-L169 HydrophobicContact CD1-CD2 3.65Å; L128-L169 HydrophobicContact CG-CD2 4.2Å; Q132-L169 HydrophobicContact CG-CD1 3.95Å; Q132-L169 HydrophobicContact CG-CD2 3.69Å; Q132-L169 HydrophobicContact CG-CG 4.47Å; L148-L169 HydrophobicContact CD2-CD2 4.49Å; A165-L169 VanDerWaalsContact O-CB 3.24Å; A165-L169 WeakPolarHBondContact O-CB 3.47Å; A165-L169 PolarHBondContact O-N 2.82Å; A166-L169 PolarHBondContact O-N 2.91Å; L169-H171 VanDerWaalsContact C-N 3.3Å; L169-H171 PolarHBondContact O-N 3.13Å; L169-S172 WeakPolarHBondContact O-CA 3.44Å; L169-S172 WeakPolarHBondContact O-CB 3.45Å; L169-S172 PolarHBondContact O-N 3.34Å; L169-S172 PolarHBondContact O-OG 2.91Å; L169-W173 HydrophobicContact CD1-CD2 4.16Å; L169-W173 HydrophobicContact CD1-CH2 4.3Å; L169-W173 HydrophobicContact CD1-CZ2 3.67Å; L169-W173 HydrophobicContact CD2-CE3 4.29Å; L169-W173 HydrophobicContact CD2-CH2 3.67Å; L169-W173 HydrophobicContact CD2-CZ2 3.93Å; L169-W173 HydrophobicContact CD2-CZ3 3.85Å; L169-W173 HydrophobicContact CG-CD2 3.98Å; L169-W173 HydrophobicContact CG-CE3 4.09Å; L169-W173 HydrophobicContact CG-CH2 4.08Å; L169-W173 HydrophobicContact CG-CZ2 3.92Å; L169-W173 HydrophobicContact CG-CZ3 4.14Å; L169-W173 PolarHBondContact O-N 3.46Å
170	A	94.6	Very high	91.8	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.017	32%	0.324	C	S	.	.	H	α-helix	trans	-57.3	-44.9	178	0	0	0	0	0	111.2	L148 A166 S172 W173 G174 A175 F177	L148-A170 HydrophobicContact CB-CB 4.39Å; L148-A170 HydrophobicContact CD2-CB 3.89Å; A166-A170 WeakPolarHBondContact O-CB 3.29Å; A166-A170 PolarHBondContact O-N 3.35Å; A170-S172 PolarHBondContact O-N 2.88Å; A170-W173 CarbonylContact O-C 3.31Å; A170-W173 PolarHBondContact O-N 2.91Å; A170-W173 VanDerWaalsContact O-N 3.14Å; A170-G174 PolarHBondContact O-N 2.86Å; A170-A175 CarbonylContact C-O 3.55Å; A170-A175 PolarHBondContact O-N 3.42Å; A170-F177 HydrophobicContact CB-CB 3.76Å
171	H	94.2	Very high	92.8	Very high	166 Å²	166	50.4 Å²	50.4	77%	0.769	31%	0.306	S	S	*	.	H	α-helix	trans	-58.6	-43.9	173.1	-172.7	72.4	0	0	0	112.4	A167 L169 W173 G174	A167-H171 WeakPolarHBondContact O-CB 3.5Å; A167-H171 PolarHBondContact O-N 3.26Å; A167-H171 VanDerWaalsContact O-N 3.08Å; L169-H171 VanDerWaalsContact C-N 3.3Å; L169-H171 PolarHBondContact O-N 3.13Å; H171-W173 PolarHBondContact O-N 2.96Å; H171-G174 PolarHBondContact O-N 3.31Å
172	S	92.7	Very high	93.6	Very high	82 Å²	82	43.5 Å²	43.5	57%	0.573	27%	0.27	S	S	*	.	H	α-helix	trans	-65.1	-24.8	177.3	80.9	0	0	0	0	114.1	A168 L169 A170	A168-S172 PolarHBondContact O-N 2.91Å; L169-S172 WeakPolarHBondContact O-CA 3.44Å; L169-S172 WeakPolarHBondContact O-CB 3.45Å; L169-S172 PolarHBondContact O-N 3.34Å; L169-S172 PolarHBondContact O-OG 2.91Å; A170-S172 PolarHBondContact O-N 2.88Å
173	W	90.8	Very high	94.2	Very high	63 Å²	63	47.3 Å²	47.3	24%	0.239	28%	0.283	C	S	.	.	H	α-helix	trans	-94.4	-6.9	178.2	-68.6	-7.1	0	0	0	113.4	Q132 W135 L146 L148 L169 A170 H171 A175	Q132-W173 HydrophobicContact CB-CZ2 4.32Å; Q132-W173 HydrophobicContact CG-CH2 4.06Å; Q132-W173 HydrophobicContact CG-CZ2 3.89Å; W135-W173 HydrophobicContact CB-CH2 3.78Å; W135-W173 HydrophobicContact CB-CZ2 3.96Å; W135-W173 HydrophobicContact CB-CZ3 4.46Å; W135-W173 AromaticContact CD1-CD2 3.91Å; W135-W173 AromaticContact CD1-CE2 3.37Å; W135-W173 AromaticContact CD1-CH2 3.89Å; W135-W173 AromaticContact CD1-CZ2 3.35Å; W135-W173 AromaticContact CD1-NE1 3.75Å; W135-W173 HydrophobicContact CG-CD2 4.47Å; W135-W173 AromaticContact CG-CH2 3.82Å; W135-W173 HydrophobicContact CG-CH2 3.82Å; W135-W173 AromaticContact CG-CZ2 3.77Å; W135-W173 HydrophobicContact CG-CZ2 3.77Å; W135-W173 HydrophobicContact CG-CZ3 4.23Å; W135-W173 AromaticContact NE1-CD1 3.92Å; W135-W173 AromaticContact NE1-CD2 3.7Å; W135-W173 AromaticContact NE1-CE2 3.58Å; W135-W173 AromaticContact NE1-CG 3.89Å; W135-W173 AromaticContact NE1-NE1 3.74Å; L146-W173 HydrophobicContact CD2-CD2 4.44Å; L146-W173 HydrophobicContact CD2-CE3 3.44Å; L146-W173 VanDerWaalsContact CD2-CE3 3.44Å; L146-W173 HydrophobicContact CD2-CZ3 3.82Å; L148-W173 HydrophobicContact CD1-CZ3 4.22Å; L169-W173 HydrophobicContact CD1-CD2 4.16Å; L169-W173 HydrophobicContact CD1-CH2 4.3Å; L169-W173 HydrophobicContact CD1-CZ2 3.67Å; L169-W173 HydrophobicContact CD2-CE3 4.29Å; L169-W173 HydrophobicContact CD2-CH2 3.67Å; L169-W173 HydrophobicContact CD2-CZ2 3.93Å; L169-W173 HydrophobicContact CD2-CZ3 3.85Å; L169-W173 HydrophobicContact CG-CD2 3.98Å; L169-W173 HydrophobicContact CG-CE3 4.09Å; L169-W173 HydrophobicContact CG-CH2 4.08Å; L169-W173 HydrophobicContact CG-CZ2 3.92Å; L169-W173 HydrophobicContact CG-CZ3 4.14Å; L169-W173 PolarHBondContact O-N 3.46Å; A170-W173 CarbonylContact O-C 3.31Å; A170-W173 PolarHBondContact O-N 2.91Å; A170-W173 VanDerWaalsContact O-N 3.14Å; H171-W173 PolarHBondContact O-N 2.96Å; W173-A175 HydrophobicContact CB-CB 4.24Å; W173-A175 PolarHBondContact O-N 3.42Å
174	G	91.3	Very high	94.5	Very high	63 Å²	63	48 Å²	48	65%	0.649	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	21.4	-171.1	0	0	0	0	0	113.6	A170 H171	A170-G174 PolarHBondContact O-N 2.86Å; H171-G174 PolarHBondContact O-N 3.31Å
175	A	93.8	Very high	94.8	Very high	17 Å²	17	49.3 Å²	49.3	14%	0.14	28%	0.283	C	S	.	.			trans	-97.6	156.5	-177.8	0	0	0	0	0	111.4	L146 A170 W173	L146-A175 HydrophobicContact CB-CB 4.22Å; L146-A175 HydrophobicContact CD2-CB 4.06Å; L146-A175 HydrophobicContact CG-CB 4.18Å; L146-A175 WeakPolarHBondContact O-CB 3.47Å; A170-A175 CarbonylContact C-O 3.55Å; A170-A175 PolarHBondContact O-N 3.42Å; W173-A175 HydrophobicContact CB-CB 4.24Å; W173-A175 PolarHBondContact O-N 3.42Å
176	H	96.1	Very high	95	Very high	84 Å²	84	52.1 Å²	52.1	39%	0.389	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	154	166.4	-71.4	-96.9	0	0	0	110.8	V147 L148 L194	V147-H176 HydrophobicContact CG2-CB 4.45Å; L148-H176 WeakPolarHBondContact CB-O 3.49Å; L148-H176 PolarHBondContact N-O 3.03Å; H176-L194 HydrophobicContact CB-CD2 3.58Å; H176-L194 HydrophobicContact CB-CG 4.27Å
177	F	97.1	Very high	95.2	Very high	47 Å²	47	52.8 Å²	52.8	21%	0.206	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130	173.6	173.1	-131.4	0	0	0	109.8	F120 L148 H163 A166 A167 A170 E179	F120-F177 HydrophobicContact CE1-CD2 4.4Å; F120-F177 AromaticContact CE1-CE2 3.75Å; F120-F177 HydrophobicContact CE1-CE2 3.75Å; F120-F177 AromaticContact CZ-CE2 3.78Å; F120-F177 HydrophobicContact CZ-CE2 3.78Å; F120-F177 HydrophobicContact CZ-CZ 4.2Å; L148-F177 HydrophobicContact CB-CD2 4.33Å; L148-F177 HydrophobicContact CD2-CD2 3.96Å; L148-F177 HydrophobicContact CD2-CG 4.48Å; L148-F177 HydrophobicContact CG-CD2 4.07Å; L148-F177 WeakPolarHBondContact O-CA 3.39Å; H163-F177 AromaticContact CE1-CE1 3.89Å; H163-F177 AromaticContact ND1-CE1 3.9Å; A166-F177 HydrophobicContact CB-CD2 4.3Å; A166-F177 HydrophobicContact CB-CE1 4.11Å; A166-F177 HydrophobicContact CB-CE2 3.82Å; A166-F177 HydrophobicContact CB-CZ 3.71Å; A167-F177 HydrophobicContact CB-CD1 4.17Å; A170-F177 HydrophobicContact CB-CB 3.76Å; F177-E179 HydrophobicContact CE1-CG 4.14Å; F177-E179 HydrophobicContact CE2-CG 4.38Å; F177-E179 HydrophobicContact CZ-CG 3.71Å
178	V	97.5	Very high	95.3	Very high	8 Å²	8	51 Å²	51	5%	0.048	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.4	177	-175.3	0	0	0	0	109.1	V147 L148 V149 G150 T180 E190 A191 L194	V147-V178 HydrophobicContact CG1-CG2 4.16Å; L148-V178 PolarHBondContact O-N 3.45Å; V149-V178 WeakPolarHBondContact CA-O 3.46Å; G150-V178 PolarHBondContact N-O 3.13Å; V178-T180 HydrophobicContact CG1-CG2 4.06Å; V178-E190 HydrophobicContact CG1-CG 4.27Å; V178-A191 HydrophobicContact CB-CB 4.17Å; V178-A191 HydrophobicContact CG1-CB 4.07Å; V178-A191 HydrophobicContact CG2-CB 4.47Å; V178-L194 HydrophobicContact CG2-CD2 3.75Å
179	E	96.6	Very high	95.4	Very high	62 Å²	62	52 Å²	52	29%	0.29	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133	170.3	-66.4	-166.7	132.9	0	0	110.4	L122 G150 C153 H163 F177	L122-E179 HydrophobicContact CD1-CB 4.39Å; L122-E179 HydrophobicContact CD1-CG 4.11Å; G150-E179 WeakPolarHBondContact O-CA 3.3Å; C153-E179 HydrophobicContact CB-CB 4.31Å; H163-E179 IonicContact CE1-OE1 3.89Å; H163-E179 IonicContact CE1-OE2 3.61Å; H163-E179 IonicContact CG-OE1 3.63Å; H163-E179 IonicContact ND1-OE1 3.82Å; H163-E179 PolarHBondContact ND1-OE1 2.91Å; H163-E179 IonicContact ND1-OE2 2.73Å; F177-E179 HydrophobicContact CE1-CG 4.14Å; F177-E179 HydrophobicContact CE2-CG 4.38Å; F177-E179 HydrophobicContact CZ-CG 3.71Å
180	T	97.8	Very high	95.5	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	30%	0.298	C	S	.	.			trans	-133.1	157	-174.9	66.1	0	0	0	0	112.5	V149 G150 N151 K152 C153 V178 Q186 G187 A191	V149-T180 HydrophobicContact CG1-CG2 3.68Å; V149-T180 WeakPolarHBondContact CG1-OG1 3.49Å; G150-T180 PolarHBondContact O-N 2.89Å; N151-T180 CarbonylContact C-O 3.55Å; N151-T180 VanDerWaalsContact C-O 3.31Å; N151-T180 VanDerWaalsContact CA-O 3.27Å; N151-T180 WeakPolarHBondContact CA-O 3.11Å; N151-T180 WeakPolarHBondContact CA-OG1 3.47Å; N151-T180 PolarHBondContact OD1-O 2.91Å; N151-T180 PolarHBondContact OD1-OG1 2.98Å; K152-T180 PolarHBondContact N-O 2.76Å; C153-T180 PolarHBondContact N-O 3.25Å; C153-T180 VanDerWaalsContact N-O 3.13Å; C153-T180 PolarHBondContact SG-O 3.11Å; C153-T180 VanDerWaalsContact SG-O 3.35Å; V178-T180 HydrophobicContact CG1-CG2 4.06Å; T180-Q186 CarbonylContact C-O 3.38Å; T180-Q186 VanDerWaalsContact CA-O 3.23Å; T180-Q186 WeakPolarHBondContact CA-O 3.45Å; T180-G187 WeakPolarHBondContact CG2-O 3.47Å; T180-A191 HydrophobicContact CG2-CB 4.02Å
181	S	97.1	Very high	95.7	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.297	C	S	.	.			trans	-133.5	114	162.8	174	0	0	0	0	109.4	D154 K183 T184 R185 Q186	D154-S181 WeakPolarHBondContact OD1-CB 3.42Å; D154-S181 PolarHBondContact OD1-OG 2.97Å; S181-K183 PolarHBondContact O-N 3.18Å; S181-K183 PolarHBondContact OG-N 3.4Å; S181-K183 VanDerWaalsContact OG-N 3.13Å; S181-T184 VanDerWaalsContact CB-OG1 3.26Å; S181-T184 WeakPolarHBondContact CB-OG1 3.41Å; S181-T184 PolarHBondContact O-N 3.07Å; S181-T184 PolarHBondContact OG-N 3.49Å; S181-T184 PolarHBondContact OG-OG1 2.93Å; S181-R185 WeakPolarHBondContact O-CA 3.33Å; S181-R185 PolarHBondContact O-N 3.09Å; S181-Q186 PolarHBondContact N-O 3.4Å
182	A	96.2	Very high	95.8	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.033	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.8	167	0	0	0	0	0	112	A56 L57 Q60 F66 N151	A56-A182 HydrophobicContact CB-CB 3.66Å; L57-A182 HydrophobicContact CD2-CB 3.96Å; L57-A182 HydrophobicContact CG-CB 4.23Å; Q60-A182 WeakPolarHBondContact CG-O 3.29Å; Q60-A182 PolarHBondContact NE2-O 3.42Å; F66-A182 HydrophobicContact CD2-CB 4.09Å; F66-A182 HydrophobicContact CE2-CB 4.18Å; N151-A182 PolarHBondContact OD1-N 2.79Å
183	K	95.3	Very high	96	Very high	101 Å²	101	46.7 Å²	46.7	44%	0.439	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-39.8	-178.4	-174.5	161.6	-177.2	158.2	0	113.3	F66 E68 S181	F66-K183 HydrophobicContact CD1-CB 4.05Å; F66-K183 HydrophobicContact CD1-CD 4.33Å; F66-K183 HydrophobicContact CD1-CG 3.82Å; F66-K183 HydrophobicContact CD2-CB 4.42Å; F66-K183 HydrophobicContact CE1-CB 3.87Å; F66-K183 HydrophobicContact CE1-CD 3.72Å; F66-K183 HydrophobicContact CE1-CG 3.67Å; F66-K183 HydrophobicContact CE2-CB 4.28Å; F66-K183 HydrophobicContact CG-CB 4.32Å; F66-K183 HydrophobicContact CZ-CB 4Å; F66-K183 HydrophobicContact CZ-CD 4.27Å; F66-K183 HydrophobicContact CZ-CG 4.28Å; E68-K183 IonicContact OE1-NZ 3.76Å; E68-K183 PolarHBondContact OE1-NZ 3.14Å; S181-K183 PolarHBondContact O-N 3.18Å; S181-K183 PolarHBondContact OG-N 3.4Å; S181-K183 VanDerWaalsContact OG-N 3.13Å
184	T	95.4	Very high	96.3	Very high	78 Å²	78	45.6 Å²	45.6	48%	0.479	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-1.9	-178.4	71.6	0	0	0	0	114.4	D154 S181 Q186	D154-T184 HydrophobicContact CB-CG2 3.9Å; S181-T184 VanDerWaalsContact CB-OG1 3.26Å; S181-T184 WeakPolarHBondContact CB-OG1 3.41Å; S181-T184 PolarHBondContact O-N 3.07Å; S181-T184 PolarHBondContact OG-N 3.49Å; S181-T184 PolarHBondContact OG-OG1 2.93Å; T184-Q186 PolarHBondContact O-N 3.38Å; T184-Q186 WeakPolarHBondContact OG1-CB 3.49Å; T184-Q186 PolarHBondContact OG1-N 2.96Å
185	R	95.8	Very high	96.6	Very high	90 Å²	90	42.6 Å²	42.6	34%	0.34	21%	0.211	S	C	.	.			trans	66.9	-0.6	-172.5	-170	171.7	164.8	-172.9	-5.7	114.6	Q60 S181 G187 V188 E189	Q60-R185 HydrophobicContact CG-CB 4.22Å; Q60-R185 HydrophobicContact CG-CG 4.26Å; S181-R185 WeakPolarHBondContact O-CA 3.33Å; S181-R185 PolarHBondContact O-N 3.09Å; R185-G187 PolarHBondContact O-N 3.3Å; R185-V188 PolarHBondContact O-N 3.38Å; R185-E189 IonicContact CZ-OE1 2.78Å; R185-E189 IonicContact NE-OE1 2.67Å; R185-E189 PolarHBondContact NE-OE1 2.93Å; R185-E189 IonicContact NH2-OE1 2.7Å; R185-E189 PolarHBondContact NH2-OE1 3.24Å; R185-E189 IonicContact NH2-OE2 3.13Å
186	Q	96.9	Very high	96.7	Very high	106 Å²	106	41.8 Å²	41.8	50%	0.495	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	132.5	175.7	179.6	175.8	-25.9	0	0	111.5	T180 S181 T184 V188	T180-Q186 CarbonylContact C-O 3.38Å; T180-Q186 VanDerWaalsContact CA-O 3.23Å; T180-Q186 WeakPolarHBondContact CA-O 3.45Å; S181-Q186 PolarHBondContact N-O 3.4Å; T184-Q186 PolarHBondContact O-N 3.38Å; T184-Q186 WeakPolarHBondContact OG1-CB 3.49Å; T184-Q186 PolarHBondContact OG1-N 2.96Å; Q186-V188 PolarHBondContact O-N 2.98Å
187	G	96.9	Very high	96.7	Very high	15 Å²	15	40.7 Å²	40.7	16%	0.155	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	-7	175.3	0	0	0	0	0	116.4	T180 R185 E190 A191	T180-G187 WeakPolarHBondContact CG2-O 3.47Å; R185-G187 PolarHBondContact O-N 3.3Å; G187-E190 PolarHBondContact O-N 2.8Å; G187-A191 WeakPolarHBondContact O-CB 3.39Å; G187-A191 PolarHBondContact O-N 3.22Å
188	V	97.2	Very high	96.6	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-54.1	-171.7	-178.9	0	0	0	0	111.1	L57 Q60 L61 R185 Q186 E190 A191 F192	L57-V188 HydrophobicContact CD2-CG2 3.8Å; Q60-V188 HydrophobicContact CG-CG1 4.43Å; Q60-V188 HydrophobicContact CG-CG2 4.19Å; L61-V188 HydrophobicContact CB-CG1 4.12Å; R185-V188 PolarHBondContact O-N 3.38Å; Q186-V188 PolarHBondContact O-N 2.98Å; V188-E190 VanDerWaalsContact C-N 3.3Å; V188-E190 PolarHBondContact O-N 3.28Å; V188-A191 PolarHBondContact O-N 3.29Å; V188-F192 HydrophobicContact CG1-CD2 4.22Å; V188-F192 HydrophobicContact CG1-CE2 4.16Å; V188-F192 VanDerWaalsContact O-CD2 3.29Å; V188-F192 WeakPolarHBondContact O-CD2 3.25Å; V188-F192 PolarHBondContact O-N 2.84Å
189	E	95.9	Very high	96.5	Very high	84 Å²	84	39.2 Å²	39.2	39%	0.393	19%	0.192	S	C	.	.	H	α-helix	trans	-65.3	-34	178.8	-75.8	161	-139.6	0	0	112.2	L61 R185 S193	L61-E189 HydrophobicContact CD1-CG 4.13Å; R185-E189 IonicContact CZ-OE1 2.78Å; R185-E189 IonicContact NE-OE1 2.67Å; R185-E189 PolarHBondContact NE-OE1 2.93Å; R185-E189 IonicContact NH2-OE1 2.7Å; R185-E189 PolarHBondContact NH2-OE1 3.24Å; R185-E189 IonicContact NH2-OE2 3.13Å; E189-S193 WeakPolarHBondContact O-CB 3.43Å; E189-S193 PolarHBondContact O-N 2.86Å; E189-S193 PolarHBondContact O-OG 2.82Å
190	E	96.9	Very high	96.4	Very high	124 Å²	124	37.5 Å²	37.5	58%	0.579	18%	0.184	S	C	*	.	H	α-helix	trans	-62.8	-49.7	175.9	-178.8	-179.6	179.6	0	0	111.7	V178 G187 V188 F192 S193 L194	V178-E190 HydrophobicContact CG1-CG 4.27Å; G187-E190 PolarHBondContact O-N 2.8Å; V188-E190 VanDerWaalsContact C-N 3.3Å; V188-E190 PolarHBondContact O-N 3.28Å; E190-F192 PolarHBondContact O-N 2.9Å; E190-S193 PolarHBondContact O-N 3.4Å; E190-L194 WeakPolarHBondContact O-CB 3.43Å; E190-L194 PolarHBondContact O-N 3.04Å
191	A	97.9	Very high	96.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-42.1	-178.1	0	0	0	0	0	112.9	L117 V149 V178 T180 G187 V188 L195	L117-A191 HydrophobicContact CD1-CB 4.39Å; V149-A191 HydrophobicContact CG2-CB 3.92Å; V178-A191 HydrophobicContact CB-CB 4.17Å; V178-A191 HydrophobicContact CG1-CB 4.07Å; V178-A191 HydrophobicContact CG2-CB 4.47Å; T180-A191 HydrophobicContact CG2-CB 4.02Å; G187-A191 WeakPolarHBondContact O-CB 3.39Å; G187-A191 PolarHBondContact O-N 3.22Å; V188-A191 PolarHBondContact O-N 3.29Å; A191-L195 PolarHBondContact O-N 2.92Å
192	F	97.3	Very high	95.9	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-74.2	-37.8	177	-75	-74.4	0	0	0	112.6	V46 L57 L61 L91 V93 L117 V188 E190 L195 V196	V46-F192 HydrophobicContact CG2-CE1 4.38Å; L57-F192 HydrophobicContact CB-CE2 4.47Å; L61-F192 HydrophobicContact CB-CD2 4.12Å; L61-F192 HydrophobicContact CB-CE2 3.95Å; L61-F192 HydrophobicContact CD1-CB 4.25Å; L61-F192 HydrophobicContact CD1-CD2 3.82Å; L61-F192 HydrophobicContact CD1-CE2 4.5Å; L61-F192 HydrophobicContact CD1-CG 4.27Å; L61-F192 HydrophobicContact CD2-CB 4.22Å; L61-F192 HydrophobicContact CD2-CD1 4.06Å; L61-F192 HydrophobicContact CD2-CD2 3.65Å; L61-F192 HydrophobicContact CD2-CE1 4.26Å; L61-F192 HydrophobicContact CD2-CE2 3.89Å; L61-F192 HydrophobicContact CD2-CG 3.73Å; L61-F192 HydrophobicContact CD2-CZ 4.19Å; L61-F192 HydrophobicContact CG-CD2 4.05Å; L61-F192 HydrophobicContact CG-CE2 4.32Å; L91-F192 HydrophobicContact CD2-CB 4.05Å; L91-F192 HydrophobicContact CD2-CD1 3.74Å; L91-F192 HydrophobicContact CD2-CG 4.25Å; V93-F192 HydrophobicContact CG1-CE1 3.89Å; V93-F192 HydrophobicContact CG1-CZ 4.35Å; V93-F192 HydrophobicContact CG2-CD1 4.3Å; V93-F192 HydrophobicContact CG2-CE1 3.91Å; L117-F192 HydrophobicContact CD2-CD1 4.14Å; L117-F192 HydrophobicContact CD2-CE1 3.64Å; L117-F192 HydrophobicContact CD2-CE2 4.2Å; L117-F192 HydrophobicContact CD2-CZ 3.68Å; V188-F192 HydrophobicContact CG1-CD2 4.22Å; V188-F192 HydrophobicContact CG1-CE2 4.16Å; V188-F192 VanDerWaalsContact O-CD2 3.29Å; V188-F192 WeakPolarHBondContact O-CD2 3.25Å; V188-F192 PolarHBondContact O-N 2.84Å; E190-F192 PolarHBondContact O-N 2.9Å; F192-L195 PolarHBondContact O-N 3.37Å; F192-V196 PolarHBondContact O-N 2.97Å
193	S	96.6	Very high	95.7	Very high	28 Å²	28	49.7 Å²	49.7	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-65.9	-43.5	176.8	-59.5	0	0	0	0	112	L84 E189 E190 L195 V196 H197	L84-S193 WeakPolarHBondContact CD2-OG 3.28Å; E189-S193 WeakPolarHBondContact O-CB 3.43Å; E189-S193 PolarHBondContact O-N 2.86Å; E189-S193 PolarHBondContact O-OG 2.82Å; E190-S193 PolarHBondContact O-N 3.4Å; S193-L195 VanDerWaalsContact C-N 3.3Å; S193-L195 PolarHBondContact O-N 3.44Å; S193-V196 PolarHBondContact O-N 3.49Å; S193-H197 PolarHBondContact O-CD2 3.13Å; S193-H197 PolarHBondContact O-N 3.31Å
194	L	96.9	Very high	95.4	Very high	40 Å²	40	50 Å²	50	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-38.2	176.3	-176.1	57.6	0	0	0	111.7	V147 H176 V178 E190 H197 E198	V147-L194 HydrophobicContact CG1-CD2 4.47Å; V147-L194 HydrophobicContact CG2-CG 4.21Å; H176-L194 HydrophobicContact CB-CD2 3.58Å; H176-L194 HydrophobicContact CB-CG 4.27Å; V178-L194 HydrophobicContact CG2-CD2 3.75Å; E190-L194 WeakPolarHBondContact O-CB 3.43Å; E190-L194 PolarHBondContact O-N 3.04Å; L194-H197 PolarHBondContact O-N 3.06Å; L194-E198 WeakPolarHBondContact O-CG 3.32Å; L194-E198 PolarHBondContact O-N 2.92Å
195	L	97.4	Very high	95.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-41.8	174.2	-179.5	58.6	0	0	0	112	A44 V116 L117 V147 A191 F192 S193 E198 I199	A44-L195 HydrophobicContact CB-CD2 3.71Å; V116-L195 WeakPolarHBondContact O-CD1 3.31Å; L117-L195 HydrophobicContact CB-CD2 4.1Å; L117-L195 HydrophobicContact CD1-CD2 4.1Å; V147-L195 HydrophobicContact CB-CB 4.46Å; V147-L195 HydrophobicContact CG2-CB 3.93Å; V147-L195 HydrophobicContact CG2-CD1 4.09Å; A191-L195 PolarHBondContact O-N 2.92Å; F192-L195 PolarHBondContact O-N 3.37Å; S193-L195 VanDerWaalsContact C-N 3.3Å; S193-L195 PolarHBondContact O-N 3.44Å; L195-E198 PolarHBondContact O-N 2.86Å; L195-I199 HydrophobicContact CD1-CD1 4.47Å; L195-I199 HydrophobicContact CG-CD1 4.15Å; L195-I199 VanDerWaalsContact O-CG1 3.28Å; L195-I199 WeakPolarHBondContact O-CG1 3.4Å; L195-I199 PolarHBondContact O-N 3Å
196	V	96.8	Very high	94.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-40.9	176.3	175.5	0	0	0	0	111.7	Y42 L82 L84 L91 F192 S193 E198 I199 Q200	Y42-V196 HydrophobicContact CD2-CG1 3.58Å; Y42-V196 HydrophobicContact CE2-CG1 3.74Å; Y42-V196 HydrophobicContact CG-CG1 4.32Å; L82-V196 HydrophobicContact CD1-CG2 4.33Å; L84-V196 HydrophobicContact CD1-CB 3.83Å; L84-V196 HydrophobicContact CD1-CG1 3.45Å; L84-V196 VanDerWaalsContact CD1-CG1 3.45Å; L91-V196 HydrophobicContact CD1-CG2 3.84Å; L91-V196 HydrophobicContact CD2-CG2 4.37Å; F192-V196 PolarHBondContact O-N 2.97Å; S193-V196 PolarHBondContact O-N 3.49Å; V196-E198 VanDerWaalsContact C-N 3.32Å; V196-E198 PolarHBondContact O-N 3.26Å; V196-I199 WeakPolarHBondContact O-CB 3.19Å; V196-I199 PolarHBondContact O-N 3.13Å; V196-Q200 HydrophobicContact CG1-CG 4.42Å; V196-Q200 VanDerWaalsContact O-CG 3.29Å; V196-Q200 WeakPolarHBondContact O-CG 3.37Å; V196-Q200 PolarHBondContact O-N 2.86Å
197	H	95.9	Very high	93.9	Very high	62 Å²	62	48.6 Å²	48.6	29%	0.287	25%	0.254	S	S	.	.	H	α-helix	trans	-62.6	-37.6	174.7	-72.6	-44.5	0	0	0	112.9	S193 L194 Q200 R201	S193-H197 PolarHBondContact O-CD2 3.13Å; S193-H197 PolarHBondContact O-N 3.31Å; L194-H197 PolarHBondContact O-N 3.06Å; H197-Q200 PolarHBondContact ND1-OE1 3.36Å; H197-Q200 PolarHBondContact O-N 3.36Å; H197-R201 WeakPolarHBondContact O-CB 3.19Å; H197-R201 PolarHBondContact O-N 3.33Å
198	E	95.4	Very high	93	Very high	21 Å²	21	53.8 Å²	53.8	10%	0.098	27%	0.273	C	S	.	.	H	α-helix	trans	-69.1	-37.4	174.3	-76.4	-64.6	101.2	0	0	112.8	P145 L194 L195 V196 R201 V202	P145-E198 HydrophobicContact CB-CB 3.72Å; P145-E198 HydrophobicContact CG-CB 4.15Å; L194-E198 WeakPolarHBondContact O-CG 3.32Å; L194-E198 PolarHBondContact O-N 2.92Å; L195-E198 PolarHBondContact O-N 2.86Å; V196-E198 VanDerWaalsContact C-N 3.32Å; V196-E198 PolarHBondContact O-N 3.26Å; E198-R201 PolarHBondContact O-N 2.56Å; E198-R201 WeakPolarHBondContact OE1-CD 3.42Å; E198-R201 IonicContact OE1-CZ 3.57Å; E198-R201 IonicContact OE1-NE 2.71Å; E198-R201 PolarHBondContact OE1-NE 2.81Å; E198-R201 IonicContact OE1-NH2 3.62Å; E198-R201 IonicContact OE2-CZ 3.37Å; E198-R201 IonicContact OE2-NE 3.25Å; E198-R201 PolarHBondContact OE2-NE 2.95Å; E198-R201 IonicContact OE2-NH2 2.66Å; E198-R201 PolarHBondContact OE2-NH2 3.45Å; E198-V202 WeakPolarHBondContact O-CG2 3.48Å; E198-V202 PolarHBondContact O-N 3.09Å
199	I	95	Very high	91.5	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-50	171.1	-70.1	163.6	0	0	0	110.4	Y42 D114 P145 L195 V196 R201 V202 Q203	Y42-I199 HydrophobicContact CD1-CG2 3.5Å; Y42-I199 VanDerWaalsContact CD1-CG2 3.5Å; Y42-I199 HydrophobicContact CE1-CG2 3.93Å; Y42-I199 HydrophobicContact CG-CG2 4.26Å; D114-I199 HydrophobicContact CB-CD1 3.97Å; D114-I199 HydrophobicContact CB-CG1 4.11Å; D114-I199 HydrophobicContact CB-CG2 3.69Å; P145-I199 HydrophobicContact CG-CG1 3.85Å; L195-I199 HydrophobicContact CD1-CD1 4.47Å; L195-I199 HydrophobicContact CG-CD1 4.15Å; L195-I199 VanDerWaalsContact O-CG1 3.28Å; L195-I199 WeakPolarHBondContact O-CG1 3.4Å; L195-I199 PolarHBondContact O-N 3Å; V196-I199 WeakPolarHBondContact O-CB 3.19Å; V196-I199 PolarHBondContact O-N 3.13Å; I199-R201 VanDerWaalsContact C-N 3.35Å; I199-R201 PolarHBondContact O-N 3.2Å; I199-V202 PolarHBondContact O-N 3.22Å; I199-Q203 HydrophobicContact CG2-CG 4.36Å; I199-Q203 WeakPolarHBondContact O-CB 3.46Å; I199-Q203 WeakPolarHBondContact O-CG 3.17Å; I199-Q203 PolarHBondContact O-N 3.34Å
200	Q	94.3	Very high	89.6	Confident	27 Å²	27	58.3 Å²	58.3	13%	0.126	30%	0.301	C	S	.	.	H	α-helix	trans	-55.9	-48	176.2	-70.8	166.5	-8.7	0	0	111.3	Y42 S86 V196 H197 V202 Q203 E204	Y42-Q200 HydrophobicContact CE1-CG 4.45Å; Y42-Q200 HydrophobicContact CE2-CG 4.42Å; S86-Q200 PolarHBondContact OG-NE2 2.98Å; S86-Q200 PolarHBondContact OG-OE1 2.67Å; V196-Q200 HydrophobicContact CG1-CG 4.42Å; V196-Q200 VanDerWaalsContact O-CG 3.29Å; V196-Q200 WeakPolarHBondContact O-CG 3.37Å; V196-Q200 PolarHBondContact O-N 2.86Å; H197-Q200 PolarHBondContact ND1-OE1 3.36Å; H197-Q200 PolarHBondContact O-N 3.36Å; Q200-V202 VanDerWaalsContact C-N 3.35Å; Q200-V202 PolarHBondContact O-N 3.44Å; Q200-Q203 PolarHBondContact O-N 2.94Å; Q200-E204 WeakPolarHBondContact O-CB 3.43Å; Q200-E204 PolarHBondContact O-N 3.22Å
201	R	93.2	Very high	87.6	Confident	150 Å²	150	59 Å²	59	57%	0.566	31%	0.305	S	S	*	.	H	α-helix	trans	-58.6	-42.8	179.7	-171.4	176.8	72.2	89.2	-3.9	112.4	H197 E198 I199 A205	H197-R201 WeakPolarHBondContact O-CB 3.19Å; H197-R201 PolarHBondContact O-N 3.33Å; E198-R201 PolarHBondContact O-N 2.56Å; E198-R201 WeakPolarHBondContact OE1-CD 3.42Å; E198-R201 IonicContact OE1-CZ 3.57Å; E198-R201 IonicContact OE1-NE 2.71Å; E198-R201 PolarHBondContact OE1-NE 2.81Å; E198-R201 IonicContact OE1-NH2 3.62Å; E198-R201 IonicContact OE2-CZ 3.37Å; E198-R201 IonicContact OE2-NE 3.25Å; E198-R201 PolarHBondContact OE2-NE 2.95Å; E198-R201 IonicContact OE2-NH2 2.66Å; E198-R201 PolarHBondContact OE2-NH2 3.45Å; I199-R201 VanDerWaalsContact C-N 3.35Å; I199-R201 PolarHBondContact O-N 3.2Å; R201-A205 WeakPolarHBondContact O-CB 3.41Å; R201-A205 PolarHBondContact O-N 2.83Å; R201-A205 VanDerWaalsContact O-N 3.15Å
202	V	91.5	Very high	85.6	Confident	33 Å²	33	61.2 Å²	61.2	20%	0.2	32%	0.324	C	S	.	.	H	α-helix	trans	-70.7	-47.3	178.8	172.5	0	0	0	0	111.4	P145 E198 I199 Q200 E204 A205 M206	P145-V202 HydrophobicContact CB-CG2 4.35Å; P145-V202 HydrophobicContact CG-CG2 4.29Å; E198-V202 WeakPolarHBondContact O-CG2 3.48Å; E198-V202 PolarHBondContact O-N 3.09Å; I199-V202 PolarHBondContact O-N 3.22Å; Q200-V202 VanDerWaalsContact C-N 3.35Å; Q200-V202 PolarHBondContact O-N 3.44Å; V202-E204 VanDerWaalsContact C-N 3.35Å; V202-E204 PolarHBondContact O-N 3.26Å; V202-A205 PolarHBondContact O-N 3.42Å; V202-M206 HydrophobicContact CG1-CE 3.74Å; V202-M206 HydrophobicContact CG1-SD 4.41Å; V202-M206 WeakPolarHBondContact O-CG 3.36Å; V202-M206 PolarHBondContact O-N 2.86Å
203	Q	90.4	Very high	83.6	Confident	78 Å²	78	69 Å²	69	36%	0.364	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-42.5	177.5	-70.8	-177.8	-2.4	0	0	111.8	D114 I199 Q200 A205 M206 A207	D114-Q203 PolarHBondContact OD1-NE2 2.66Å; I199-Q203 HydrophobicContact CG2-CG 4.36Å; I199-Q203 WeakPolarHBondContact O-CB 3.46Å; I199-Q203 WeakPolarHBondContact O-CG 3.17Å; I199-Q203 PolarHBondContact O-N 3.34Å; Q200-Q203 PolarHBondContact O-N 2.94Å; Q203-A205 PolarHBondContact O-N 2.94Å; Q203-M206 PolarHBondContact O-N 3.43Å; Q203-A207 PolarHBondContact O-N 3.06Å
204	E	89.8	Confident	81.7	Confident	107 Å²	107	69.8 Å²	69.8	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-39.6	174.5	-85.9	-162.1	-140.1	0	0	113.1	Q200 V202 A207 K208	Q200-E204 WeakPolarHBondContact O-CB 3.43Å; Q200-E204 PolarHBondContact O-N 3.22Å; V202-E204 VanDerWaalsContact C-N 3.35Å; V202-E204 PolarHBondContact O-N 3.26Å; E204-A207 PolarHBondContact O-N 2.94Å; E204-K208 VanDerWaalsContact O-CD 3.24Å; E204-K208 WeakPolarHBondContact O-CD 3.36Å; E204-K208 WeakPolarHBondContact O-CE 3.33Å; E204-K208 WeakPolarHBondContact O-CG 3.43Å; E204-K208 PolarHBondContact O-N 3.14Å; E204-K208 WeakPolarHBondContact OE2-CE 3.38Å; E204-K208 IonicContact OE2-NZ 2.59Å; E204-K208 PolarHBondContact OE2-NZ 2.86Å
205	A	88.6	Confident	79.7	Confident	54 Å²	54	71.5 Å²	71.5	45%	0.446	37%	0.373	S	S	.	.	H	α-helix	trans	-64.9	-45.5	177.4	0	0	0	0	0	111.2	R201 V202 Q203 A207 K208 E209	R201-A205 WeakPolarHBondContact O-CB 3.41Å; R201-A205 PolarHBondContact O-N 2.83Å; R201-A205 VanDerWaalsContact O-N 3.15Å; V202-A205 PolarHBondContact O-N 3.42Å; Q203-A205 PolarHBondContact O-N 2.94Å; A205-A207 VanDerWaalsContact C-N 3.3Å; A205-A207 PolarHBondContact O-N 3.15Å; A205-K208 PolarHBondContact O-N 3.29Å; A205-K208 VanDerWaalsContact O-N 3.14Å; A205-E209 PolarHBondContact O-N 3.5Å; A205-E209 VanDerWaalsContact O-N 3.16Å
206	M	84.6	Confident	77.8	Confident	117 Å²	117	80.6 Å²	80.6	58%	0.576	41%	0.408	S	S	*	.	H	α-helix	trans	-61.8	-35.8	176.2	-68.4	-175.1	-178.9	0	0	112.5	V202 Q203 K208 P210	V202-M206 HydrophobicContact CG1-CE 3.74Å; V202-M206 HydrophobicContact CG1-SD 4.41Å; V202-M206 WeakPolarHBondContact O-CG 3.36Å; V202-M206 PolarHBondContact O-N 2.86Å; Q203-M206 PolarHBondContact O-N 3.43Å; M206-K208 VanDerWaalsContact C-N 3.32Å; M206-K208 PolarHBondContact O-N 2.96Å; M206-P210 WeakPolarHBondContact O-CD 3.5Å
207	A	84.3	Confident	75.8	Confident	73 Å²	73	87 Å²	87	60%	0.603	44%	0.438	S	S	*	.	H	α-helix	trans	-68.3	-27.7	175.6	0	0	0	0	0	113.6	Q203 E204 A205	Q203-A207 PolarHBondContact O-N 3.06Å; E204-A207 PolarHBondContact O-N 2.94Å; A205-A207 VanDerWaalsContact C-N 3.3Å; A205-A207 PolarHBondContact O-N 3.15Å
208	K	77.4	Confident	73.9	Confident	124 Å²	124	90.2 Å²	90.2	54%	0.539	45%	0.451	S	S	.	.	H	α-helix	trans	-87.1	-32	-177	-67.7	162.4	-165.9	173.4	0	113.1	E204 A205 M206 M211 A212	E204-K208 VanDerWaalsContact O-CD 3.24Å; E204-K208 WeakPolarHBondContact O-CD 3.36Å; E204-K208 WeakPolarHBondContact O-CE 3.33Å; E204-K208 WeakPolarHBondContact O-CG 3.43Å; E204-K208 PolarHBondContact O-N 3.14Å; E204-K208 WeakPolarHBondContact OE2-CE 3.38Å; E204-K208 IonicContact OE2-NZ 2.59Å; E204-K208 PolarHBondContact OE2-NZ 2.86Å; A205-K208 PolarHBondContact O-N 3.29Å; A205-K208 VanDerWaalsContact O-N 3.14Å; M206-K208 VanDerWaalsContact C-N 3.32Å; M206-K208 PolarHBondContact O-N 2.96Å; K208-M211 PolarHBondContact O-N 2.83Å; K208-A212 PolarHBondContact O-N 2.66Å
209	E	64.8	Low	72	Confident	100 Å²	100	91.7 Å²	91.7	47%	0.467	47%	0.466	S	S	.	.	H	α-helix	trans	-44.2	-54.9	174.2	-92.3	-85.2	131.6	0	0	115.6	A205 M211 A212 R213	A205-E209 PolarHBondContact O-N 3.5Å; A205-E209 VanDerWaalsContact O-N 3.16Å; E209-M211 VanDerWaalsContact C-N 3.33Å; E209-M211 PolarHBondContact O-N 3.33Å; E209-A212 PolarHBondContact O-N 2.64Å; E209-R213 PolarHBondContact O-N 3.39Å; E209-R213 IonicContact OE2-CZ 3.27Å; E209-R213 VanDerWaalsContact OE2-CZ 3.27Å; E209-R213 IonicContact OE2-NE 3.07Å; E209-R213 PolarHBondContact OE2-NE 3.24Å; E209-R213 VanDerWaalsContact OE2-NE 3.07Å; E209-R213 IonicContact OE2-NH2 2.67Å; E209-R213 PolarHBondContact OE2-NH2 3.46Å
210	P	57.8	Low	70.2	Confident	81 Å²	81	101.1 Å²	101.1	53%	0.526	50%	0.502	S	S	.	.	H	α-helix	trans	-65	-33.6	-173.2	23	-33.9	0	0	0	113.4	M206 R213 S214	M206-P210 WeakPolarHBondContact O-CD 3.5Å; P210-R213 PolarHBondContact O-N 3.18Å; P210-S214 PolarHBondContact O-N 3.01Å; P210-S214 VanDerWaalsContact O-N 3.13Å
211	M	54.8	Low	68.2	Low	138 Å²	138	106.6 Å²	106.6	68%	0.68	53%	0.527	S	S	*	.	H	α-helix	trans	-64.9	-41.4	176.7	-164.4	72.4	78.1	0	0	111.1	K208 E209 S214 C215	K208-M211 PolarHBondContact O-N 2.83Å; E209-M211 VanDerWaalsContact C-N 3.33Å; E209-M211 PolarHBondContact O-N 3.33Å; M211-S214 PolarHBondContact O-N 2.88Å; M211-C215 PolarHBondContact O-N 3.08Å
212	A	54.9	Low	66.3	Low	48 Å²	48	106.7 Å²	106.7	40%	0.397	53%	0.534	S	S	.	.	H	α-helix	trans	-66.2	-38	179.4	0	0	0	0	0	112.7	K208 E209 R216	K208-A212 PolarHBondContact O-N 2.66Å; E209-A212 PolarHBondContact O-N 2.64Å; A212-R216 WeakPolarHBondContact O-CG 3.27Å; A212-R216 PolarHBondContact O-N 2.97Å; A212-R216 VanDerWaalsContact O-N 3.09Å
213	R	56.5	Low	64.5	Low	167 Å²	167	114.2 Å²	114.2	63%	0.63	56%	0.564	S	S	*	*	H	α-helix	trans	-65.1	-47.5	174.4	-63	-175.9	-169.2	-160.8	3.9	111	E209 P210 C215 R216 E217	E209-R213 PolarHBondContact O-N 3.39Å; E209-R213 IonicContact OE2-CZ 3.27Å; E209-R213 VanDerWaalsContact OE2-CZ 3.27Å; E209-R213 IonicContact OE2-NE 3.07Å; E209-R213 PolarHBondContact OE2-NE 3.24Å; E209-R213 VanDerWaalsContact OE2-NE 3.07Å; E209-R213 IonicContact OE2-NH2 2.67Å; E209-R213 PolarHBondContact OE2-NH2 3.46Å; P210-R213 PolarHBondContact O-N 3.18Å; R213-C215 VanDerWaalsContact C-N 3.33Å; R213-C215 PolarHBondContact O-N 3.02Å; R213-R216 PolarHBondContact O-N 3.49Å; R213-E217 WeakPolarHBondContact O-CB 2.92Å; R213-E217 PolarHBondContact O-N 2.7Å
214	S	56.5	Low	62.6	Low	43 Å²	43	114.4 Å²	114.4	30%	0.301	58%	0.579	S	S	.	*	H	α-helix	trans	-56.8	-42.8	176.9	-166.5	0	0	0	0	112.9	P210 M211 E217 K218	P210-S214 PolarHBondContact O-N 3.01Å; P210-S214 VanDerWaalsContact O-N 3.13Å; M211-S214 PolarHBondContact O-N 2.88Å; S214-E217 PolarHBondContact O-N 2.7Å; S214-K218 WeakPolarHBondContact O-CB 3.39Å; S214-K218 WeakPolarHBondContact O-CD 3.46Å; S214-K218 VanDerWaalsContact O-CG 3.31Å; S214-K218 WeakPolarHBondContact O-CG 3.34Å; S214-K218 PolarHBondContact O-N 2.95Å; S214-K218 WeakPolarHBondContact OG-CE 3.37Å; S214-K218 PolarHBondContact OG-NZ 2.71Å
215	C	54.8	Low	60.8	Low	77 Å²	77	113.9 Å²	113.9	52%	0.52	58%	0.583	S	S	.	*	H	α-helix	trans	-66.6	-42.6	176.3	-76.7	0	0	0	0	113.1	M211 R213 E217 A219	M211-C215 PolarHBondContact O-N 3.08Å; R213-C215 VanDerWaalsContact C-N 3.33Å; R213-C215 PolarHBondContact O-N 3.02Å; C215-E217 VanDerWaalsContact C-N 3.29Å; C215-E217 PolarHBondContact O-N 2.92Å; C215-A219 VanDerWaalsContact O-CB 3.3Å; C215-A219 WeakPolarHBondContact O-CB 3.07Å; C215-A219 PolarHBondContact O-N 3.29Å
216	R	56.2	Low	59	Low	191 Å²	191	115 Å²	115	72%	0.721	59%	0.587	S	S	*	*	H	α-helix	trans	-63	-36.2	177	-75	176.6	177.7	-176.9	1.5	112.3	A212 R213 R220	A212-R216 WeakPolarHBondContact O-CG 3.27Å; A212-R216 PolarHBondContact O-N 2.97Å; A212-R216 VanDerWaalsContact O-N 3.09Å; R213-R216 PolarHBondContact O-N 3.49Å; R216-R220 WeakPolarHBondContact O-CG 3.46Å; R216-R220 PolarHBondContact O-N 3.38Å; R216-R220 VanDerWaalsContact O-N 3.11Å
217	E	55.6	Low	57.4	Low	135 Å²	135	119 Å²	119	63%	0.631	60%	0.604	S	S	*	*	H	α-helix	trans	-74.3	-43.5	-179.8	-164.8	151.2	-128.9	0	0	112.2	R213 S214 C215 A219 R220 H221	R213-E217 WeakPolarHBondContact O-CB 2.92Å; R213-E217 PolarHBondContact O-N 2.7Å; S214-E217 PolarHBondContact O-N 2.7Å; C215-E217 VanDerWaalsContact C-N 3.29Å; C215-E217 PolarHBondContact O-N 2.92Å; E217-A219 PolarHBondContact O-N 3.13Å; E217-R220 PolarHBondContact O-N 2.98Å; E217-H221 PolarHBondContact O-N 3.35Å
218	K	56.7	Low	56.1	Low	129 Å²	129	119.4 Å²	119.4	56%	0.561	60%	0.601	S	S	*	*	H	α-helix	trans	-59.5	-42.6	170.9	-73.5	164.4	178.9	157.3	0	112.2	S214 R220 H221 Q222	S214-K218 WeakPolarHBondContact O-CB 3.39Å; S214-K218 WeakPolarHBondContact O-CD 3.46Å; S214-K218 VanDerWaalsContact O-CG 3.31Å; S214-K218 WeakPolarHBondContact O-CG 3.34Å; S214-K218 PolarHBondContact O-N 2.95Å; S214-K218 WeakPolarHBondContact OG-CE 3.37Å; S214-K218 PolarHBondContact OG-NZ 2.71Å; K218-R220 VanDerWaalsContact C-N 3.32Å; K218-R220 PolarHBondContact O-N 2.8Å; K218-H221 PolarHBondContact O-N 2.64Å; K218-Q222 PolarHBondContact O-N 3.02Å
219	A	55.6	Low	54.7	Low	51 Å²	51	117.4 Å²	117.4	42%	0.421	62%	0.615	S	S	.	*	H	α-helix	trans	-65.1	-32.3	176.5	0	0	0	0	0	113.1	C215 E217 K223	C215-A219 VanDerWaalsContact O-CB 3.3Å; C215-A219 WeakPolarHBondContact O-CB 3.07Å; C215-A219 PolarHBondContact O-N 3.29Å; E217-A219 PolarHBondContact O-N 3.13Å; A219-K223 PolarHBondContact O-N 2.79Å
220	R	56.1	Low	53.7	Low	201 Å²	201	117.6 Å²	117.6	76%	0.758	63%	0.627	S	S	*	*	H	α-helix	trans	-69	-44.2	171.2	-78.3	177.3	170.7	-169.6	-3.8	111.7	R216 E217 K218 Q222 K223 A224	R216-R220 WeakPolarHBondContact O-CG 3.46Å; R216-R220 PolarHBondContact O-N 3.38Å; R216-R220 VanDerWaalsContact O-N 3.11Å; E217-R220 PolarHBondContact O-N 2.98Å; K218-R220 VanDerWaalsContact C-N 3.32Å; K218-R220 PolarHBondContact O-N 2.8Å; R220-Q222 PolarHBondContact O-N 2.93Å; R220-K223 PolarHBondContact O-N 3.13Å; R220-A224 PolarHBondContact O-N 3.19Å
221	H	52.8	Low	52.8	Low	141 Å²	141	119.6 Å²	119.6	65%	0.653	64%	0.643	S	S	*	*	H	α-helix	trans	-63.5	-39.5	177.1	-112.5	86	0	0	0	112.9	E217 K218 A224 T225	E217-H221 PolarHBondContact O-N 3.35Å; K218-H221 PolarHBondContact O-N 2.64Å; H221-A224 PolarHBondContact O-N 2.58Å; H221-T225 PolarHBondContact O-N 3.02Å; H221-T225 PolarHBondContact O-OG1 3.1Å
222	Q	52.8	Low	52	Low	152 Å²	152	120.1 Å²	120.1	71%	0.71	65%	0.653	S	S	*	*	H	α-helix	trans	-65.6	-37.4	173.5	-76.1	-178.5	-23.5	0	0	112.8	K218 R220 A224 T225	K218-Q222 PolarHBondContact O-N 3.02Å; R220-Q222 PolarHBondContact O-N 2.93Å; Q222-A224 VanDerWaalsContact C-N 3.28Å; Q222-A224 PolarHBondContact O-N 3.25Å; Q222-T225 WeakPolarHBondContact CA-OG1 3.24Å; Q222-T225 PolarHBondContact O-N 3.07Å; Q222-T225 PolarHBondContact O-OG1 3.29Å
223	K	53.1	Low	51.2	Low	191 Å²	191	125.7 Å²	125.7	83%	0.83	70%	0.699	S	S	*	*	H	α-helix	trans	-68.3	-24.9	172	-78.5	-168	172.5	-170	0	113.8	A219 R220 T225	A219-K223 PolarHBondContact O-N 2.79Å; R220-K223 PolarHBondContact O-N 3.13Å; K223-T225 VanDerWaalsContact C-N 3.26Å; K223-T225 PolarHBondContact O-N 3.17Å
224	A	50.9	Low	50.9	Low	82 Å²	82	123.6 Å²	123.6	68%	0.678	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-4.6	173.7	0	0	0	0	0	113.8	R220 H221 Q222	R220-A224 PolarHBondContact O-N 3.19Å; H221-A224 PolarHBondContact O-N 2.58Å; Q222-A224 VanDerWaalsContact C-N 3.28Å; Q222-A224 PolarHBondContact O-N 3.25Å
225	T	53	Low	50.6	Low	96 Å²	96	127.8 Å²	127.8	59%	0.589	72%	0.724	S	S	*	*			trans	-125.3	47.2	-171.8	41.8	0	0	0	0	113.5	H221 Q222 K223 H227	H221-T225 PolarHBondContact O-N 3.02Å; H221-T225 PolarHBondContact O-OG1 3.1Å; Q222-T225 WeakPolarHBondContact CA-OG1 3.24Å; Q222-T225 PolarHBondContact O-N 3.07Å; Q222-T225 PolarHBondContact O-OG1 3.29Å; K223-T225 VanDerWaalsContact C-N 3.26Å; K223-T225 PolarHBondContact O-N 3.17Å; T225-H227 PolarHBondContact O-N 2.99Å; T225-H227 VanDerWaalsContact O-N 3.1Å
226	C	49.5	Very low	50.4	Low	78 Å²	78	130.7 Å²	130.7	53%	0.527	74%	0.735	S	S	.	*			trans	-61.8	110.4	156.2	136	0	0	0	0	108.4	C228	C226-C228 HydrophobicContact CB-CB 4.19Å; C226-C228 WeakPolarHBondContact CB-SG 3.34Å; C226-C228 PolarHBondContact O-N 2.91Å; C226-C228 VanDerWaalsContact O-N 3.17Å; C226-C228 VanDerWaalsContact SG-CA 3.55Å; C226-C228 WeakPolarHBondContact SG-CB 3.36Å; C226-C228 PolarHBondContact SG-N 3.32Å; C226-C228 CovalentContact SG-SG 2.05Å; C226-C228 PolarHBondContact SG-SG 3.37Å
227	H	52	Low	50	Low	201 Å²	201	127.1 Å²	127.1	93%	0.931	74%	0.736	S	S	*	*			trans	-85.6	39.9	166.7	-157.3	76.8	0	0	0	110.3	T225	T225-H227 PolarHBondContact O-N 2.99Å; T225-H227 VanDerWaalsContact O-N 3.1Å
228	C	55.5	Low	49.7	Very low	82 Å²	82	126.6 Å²	126.6	55%	0.554	74%	0.742	S	S	*	*	S	Bend	trans	-115.4	0.4	-162.9	75.8	0	0	0	0	114.4	C226 C230	C226-C228 HydrophobicContact CB-CB 4.19Å; C226-C228 WeakPolarHBondContact CB-SG 3.34Å; C226-C228 PolarHBondContact O-N 2.91Å; C226-C228 VanDerWaalsContact O-N 3.17Å; C226-C228 VanDerWaalsContact SG-CA 3.55Å; C226-C228 WeakPolarHBondContact SG-CB 3.36Å; C226-C228 PolarHBondContact SG-N 3.32Å; C226-C228 CovalentContact SG-SG 2.05Å; C226-C228 PolarHBondContact SG-SG 3.37Å; C228-C230 PolarHBondContact O-N 3.35Å; C228-C230 PolarHBondContact O-SG 3.08Å
229	G	49.6	Very low	49.2	Very low	81 Å²	81	126.5 Å²	126.5	84%	0.835	75%	0.754	S	S	*	*			trans	68.4	-8.5	161.4	0	0	0	0	0	118	S231	G229-S231 PolarHBondContact O-N 3.4Å
230	C	43	Very low	48.8	Very low	105 Å²	105	131.9 Å²	131.9	71%	0.709	78%	0.778	S	S	*	*			trans	-90.4	101.2	-176.8	-62.9	0	0	0	0	112	C228 V232	C228-C230 PolarHBondContact O-N 3.35Å; C228-C230 PolarHBondContact O-SG 3.08Å; C230-V232 PolarHBondContact O-N 3.17Å
231	S	38	Very low	48.2	Very low	123 Å²	123	126.5 Å²	126.5	86%	0.86	78%	0.78	S	S	*	*			trans	-61.5	125.8	158.8	-61.7	0	0	0	0	109.4	G229	G229-S231 PolarHBondContact O-N 3.4Å
232	V	39.2	Very low	47.8	Very low	148 Å²	148	125.3 Å²	125.3	90%	0.897	79%	0.79	S	S	*	*			trans	-82.5	124.5	170.7	-166.8	0	0	0	0	108	C230	C230-V232 PolarHBondContact O-N 3.17Å
233	A	37.4	Very low	47.4	Very low	165 Å²	165	122.9 Å²	122.9	100%	1.364	80%	0.798	S	S	*	*			trans	-113.1	0	172	0	0	0	0	0	109.6

Retrieved 233 of 233 residues in 52 ms (Link to these results)

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