A0A077Z9W4_TRITR Loading...

NADH dehydrogenase (Ubiquinone) iron sulfur

AlphaFold DB , UniProt , Accession A0A077Z9W4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.8	Very low	24.2	Very low	212 Å²	212	142.7 Å²	142.7	100%	1.044	72%	0.72	S	S	*	*				0	30.7	0	-72	-164.2	-175.7	0	0	114.5
2	A	20.2	Very low	24.6	Very low	98 Å²	98	135.2 Å²	135.2	81%	0.81	68%	0.683	S	S	*	*			trans	-150.2	24.6	165	0	0	0	0	0	110.6
3	F	21.8	Very low	24.8	Very low	173 Å²	173	128.5 Å²	128.5	76%	0.759	66%	0.657	S	S	*	*			trans	-103.6	98	-162.1	-110.6	-98.9	0	0	0	111.5
4	Q	25.2	Very low	25.4	Very low	119 Å²	119	125 Å²	125	56%	0.556	64%	0.636	S	S	*	*			trans	59.5	77.6	138.6	-73.2	169.2	-32.4	0	0	119.9	L6 A7	Q4-L6 VanDerWaalsContact CA-N 3.3Å; Q4-L6 HydrophobicContact CB-CB 4.45Å; Q4-L6 HydrophobicContact CG-CB 4Å; Q4-A7 HydrophobicContact CG-CB 4.46Å
5	I	25.8	Very low	25.6	Very low	181 Å²	181	123.3 Å²	123.3	93%	0.928	63%	0.629	S	S	*	*	S	Bend	trans	-76.2	9.3	131.5	-68	172.7	0	0	0	110.5
6	L	20.3	Very low	25.9	Very low	150 Å²	150	120.4 Å²	120.4	79%	0.785	61%	0.612	S	S	*	*	S	Bend	trans	-95.1	5.8	-170.9	-111.4	155.8	0	0	0	115.4	Q4	Q4-L6 VanDerWaalsContact CA-N 3.3Å; Q4-L6 HydrophobicContact CB-CB 4.45Å; Q4-L6 HydrophobicContact CG-CB 4Å
7	A	24.1	Very low	26.3	Very low	59 Å²	59	114.8 Å²	114.8	49%	0.488	59%	0.586	S	S	.	*	S	Bend	trans	-141.8	24	-170.5	0	0	0	0	0	116.8	Q4	Q4-A7 HydrophobicContact CG-CB 4.46Å
8	F	27.2	Very low	26.6	Very low	176 Å²	176	109.6 Å²	109.6	77%	0.772	56%	0.561	S	S	*	*			trans	-122.2	22.9	151.1	-104.2	-83.9	0	0	0	112.8	K10 P56	F8-K10 PolarHBondContact O-N 2.75Å; F8-P56 HydrophobicContact CZ-CG 4.49Å
9	R	24.9	Very low	26.7	Very low	203 Å²	203	114.9 Å²	114.9	77%	0.766	57%	0.574	S	S	*	*			trans	-72.8	79	140.3	-161.3	175.8	-174.9	173.2	-0.6	106.1	T11	R9-T11 HydrophobicContact CG-CG2 3.82Å; R9-T11 PolarHBondContact O-N 3.22Å
10	K	26.1	Very low	27.1	Very low	115 Å²	115	110.8 Å²	110.8	50%	0.5	55%	0.553	S	S	.	*				-56.1	98.3	130	-99.9	-177.7	176.5	176.1	0	101.9	F8 L12	F8-K10 PolarHBondContact O-N 2.75Å; K10-L12 HydrophobicContact CB-CG 4.27Å; K10-L12 HydrophobicContact CD-CD2 4.25Å; K10-L12 PolarHBondContact O-N 3.16Å
11	T	25.1	Very low	27.3	Very low	84 Å²	84	107.7 Å²	107.7	52%	0.515	54%	0.541	S	S	.	.			trans	-55.6	86.8	135.1	43.9	0	0	0	0	101.8	R9 S13	R9-T11 HydrophobicContact CG-CG2 3.82Å; R9-T11 PolarHBondContact O-N 3.22Å; T11-S13 PolarHBondContact O-N 3Å
12	L	28.4	Very low	27.4	Very low	52 Å²	52	98.3 Å²	98.3	27%	0.272	50%	0.498	S	S	.	.			trans	-52.8	93	134.9	-69	172.4	0	0	0	100.5	K10 H14 E16 C17 Q20	K10-L12 HydrophobicContact CB-CG 4.27Å; K10-L12 HydrophobicContact CD-CD2 4.25Å; K10-L12 PolarHBondContact O-N 3.16Å; L12-H14 PolarHBondContact O-N 3.36Å; L12-E16 HydrophobicContact CD2-CB 3.59Å; L12-C17 HydrophobicContact CB-CB 4.12Å; L12-C17 HydrophobicContact CD1-CB 4.07Å; L12-Q20 VanDerWaalsContact CD2-OE1 3.28Å
13	S	27.5	Very low	28	Very low	49 Å²	49	95 Å²	95	34%	0.343	47%	0.468	S	S	.	.			trans	-44.3	142	154.8	50.3	0	0	0	0	103.6	T11 D15 E16	T11-S13 PolarHBondContact O-N 3Å; S13-D15 CarbonylContact O-C 3.55Å; S13-D15 PolarHBondContact O-N 3.08Å; S13-E16 PolarHBondContact O-N 3.43Å; S13-E16 PolarHBondContact OG-N 3.31Å
14	H	33.8	Very low	28.2	Very low	79 Å²	79	94.2 Å²	94.2	37%	0.366	46%	0.461	S	S	.	.	H	α-helix	trans	-47.8	-19.1	177	-164.5	-99.9	0	0	0	111.6	L12 C18 C26 D204	L12-H14 PolarHBondContact O-N 3.36Å; H14-C18 VanDerWaalsContact O-CB 3.26Å; H14-C18 WeakPolarHBondContact O-CB 3.34Å; H14-C18 PolarHBondContact O-N 2.99Å; H14-C18 PolarHBondContact O-SG 3.29Å; H14-C18 VanDerWaalsContact O-SG 3.37Å; H14-C26 PolarHBondContact CE1-SG 2.96Å; H14-D204 IonicContact CD2-OD2 3.82Å
15	D	27.2	Very low	28.6	Very low	100 Å²	100	91.9 Å²	91.9	54%	0.535	45%	0.451	S	S	.	.	H	α-helix	trans	-75.5	-32.2	170.2	-60.1	-40	0	0	0	117.4	S13 C18 R19	S13-D15 CarbonylContact O-C 3.55Å; S13-D15 PolarHBondContact O-N 3.08Å; D15-C18 WeakPolarHBondContact O-CB 3.36Å; D15-R19 PolarHBondContact O-N 3.1Å; D15-R19 VanDerWaalsContact O-N 3.14Å
16	E	31.3	Very low	28.9	Very low	76 Å²	76	84.9 Å²	84.9	36%	0.355	42%	0.418	S	S	.	.	H	α-helix	trans	-82.9	-35.7	179.1	-80.3	-169.6	162.4	0	0	113.3	L12 S13 C18 R19 Q20	L12-E16 HydrophobicContact CD2-CB 3.59Å; S13-E16 PolarHBondContact O-N 3.43Å; S13-E16 PolarHBondContact OG-N 3.31Å; E16-C18 PolarHBondContact O-N 3.33Å; E16-R19 PolarHBondContact O-N 2.78Å; E16-Q20 PolarHBondContact O-N 3.41Å
17	C	32.7	Very low	29.4	Very low	25 Å²	25	80 Å²	80	17%	0.169	40%	0.397	C	S	.	.	H	α-helix	trans	-65.3	-30.5	168.5	-160.6	0	0	0	0	110.4	L12 R19 S21	L12-C17 HydrophobicContact CB-CB 4.12Å; L12-C17 HydrophobicContact CD1-CB 4.07Å; C17-R19 VanDerWaalsContact C-N 3.32Å; C17-S21 WeakPolarHBondContact O-CB 3.34Å; C17-S21 PolarHBondContact O-N 3.3Å; C17-S21 PolarHBondContact O-OG 2.9Å
18	C	31	Very low	29.7	Very low	21 Å²	21	87.4 Å²	87.4	14%	0.142	42%	0.418	C	S	.	.	H	α-helix	trans	-70.1	-19.4	170.1	-96.7	0	0	0	0	115.4	H14 D15 E16 S21 C23 C26	H14-C18 VanDerWaalsContact O-CB 3.26Å; H14-C18 WeakPolarHBondContact O-CB 3.34Å; H14-C18 PolarHBondContact O-N 2.99Å; H14-C18 PolarHBondContact O-SG 3.29Å; H14-C18 VanDerWaalsContact O-SG 3.37Å; D15-C18 WeakPolarHBondContact O-CB 3.36Å; E16-C18 PolarHBondContact O-N 3.33Å; C18-S21 CarbonylContact C-O 3.49Å; C18-C23 PolarHBondContact SG-O 3.04Å; C18-C26 WeakPolarHBondContact SG-CB 3.48Å
19	R	29.7	Very low	29.9	Very low	211 Å²	211	86.7 Å²	86.7	80%	0.796	42%	0.417	S	S	*	.	H	α-helix	trans	-91.5	-29.5	174.2	-82.5	-178.4	177	-179.7	-0.4	112.8	D15 E16 C17	D15-R19 PolarHBondContact O-N 3.1Å; D15-R19 VanDerWaalsContact O-N 3.14Å; E16-R19 PolarHBondContact O-N 2.78Å; C17-R19 VanDerWaalsContact C-N 3.32Å
20	Q	33.6	Very low	30.3	Very low	33 Å²	33	81.7 Å²	81.7	15%	0.154	41%	0.411	C	S	.	.	H	α-helix	trans	-92.7	-34.1	-176.3	-80.7	154.5	12.3	0	0	113	L12 E16 V48 L52	L12-Q20 VanDerWaalsContact CD2-OE1 3.28Å; E16-Q20 PolarHBondContact O-N 3.41Å; Q20-V48 HydrophobicContact CB-CG1 4.02Å; Q20-V48 HydrophobicContact CG-CG1 4.49Å; Q20-V48 WeakPolarHBondContact O-CA 3.36Å; Q20-L52 HydrophobicContact CB-CD2 4.23Å; Q20-L52 VanDerWaalsContact CD-CD1 3.41Å; Q20-L52 HydrophobicContact CG-CD1 3.91Å; Q20-L52 HydrophobicContact CG-CD2 3.77Å; Q20-L52 HydrophobicContact CG-CG 4.35Å
21	S	31.1	Very low	31.1	Very low	45 Å²	45	81.6 Å²	81.6	32%	0.315	42%	0.415	S	S	.	.	S	Bend	trans	-94	139.9	161.9	70.1	0	0	0	0	108.1	C17 C18 C23	C17-S21 WeakPolarHBondContact O-CB 3.34Å; C17-S21 PolarHBondContact O-N 3.3Å; C17-S21 PolarHBondContact O-OG 2.9Å; C18-S21 CarbonylContact C-O 3.49Å; S21-C23 PolarHBondContact O-N 3.46Å
22	A	29.1	Very low	31.5	Very low	16 Å²	16	86.8 Å²	86.8	13%	0.132	43%	0.431	C	S	.	.	S	Bend	trans	-48.2	41.6	172.2	0	0	0	0	0	117.4	L42 D43	A22-L42 VanDerWaalsContact C-CB 3.49Å; A22-L42 HydrophobicContact CB-CB 3.46Å; A22-L42 VanDerWaalsContact CB-CB 3.46Å; A22-L42 HydrophobicContact CB-CD2 4.29Å; A22-L42 HydrophobicContact CB-CG 4.31Å; A22-L42 WeakPolarHBondContact O-CB 3.23Å; A22-D43 WeakPolarHBondContact CB-O 3.3Å
23	C	31.7	Very low	32.1	Very low	28 Å²	28	87.7 Å²	87.7	19%	0.189	45%	0.452	C	S	.	.			trans	-129.1	68.7	-170.5	-124.8	0	0	0	0	110.4	C18 S21 L25	C18-C23 PolarHBondContact SG-O 3.04Å; S21-C23 PolarHBondContact O-N 3.46Å; C23-L25 PolarHBondContact O-N 3.17Å
24	R	26.9	Very low	32.8	Very low	157 Å²	157	89.2 Å²	89.2	59%	0.592	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	22	163.7	-134.5	-175.5	-82.6	-152.2	-1.1	113.2	S27 L42	R24-S27 PolarHBondContact O-OG 3.02Å; R24-L42 HydrophobicContact CB-CD1 4.27Å
25	L	33.1	Very low	32.9	Very low	69 Å²	69	92.9 Å²	92.9	36%	0.361	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-3.9	-177.7	-71.4	176.5	0	0	0	114.4	C23 Y195	C23-L25 PolarHBondContact O-N 3.17Å; L25-Y195 HydrophobicContact CD1-CE2 4.34Å; L25-Y195 WeakPolarHBondContact CD1-OH 3.48Å; L25-Y195 WeakPolarHBondContact CD2-OH 3.18Å
26	C	31.3	Very low	33.4	Very low	34 Å²	34	94.9 Å²	94.9	23%	0.23	49%	0.49	C	S	.	.	S	Bend	trans	-105.8	-1.9	168.9	-86.6	0	0	0	0	114.5	H14 C18 K28	H14-C26 PolarHBondContact CE1-SG 2.96Å; C18-C26 WeakPolarHBondContact SG-CB 3.48Å; C26-K28 PolarHBondContact O-N 3.45Å
27	S	31.2	Very low	33.9	Very low	48 Å²	48	95 Å²	95	34%	0.336	51%	0.511	S	S	.	.	S	Bend	trans	-69.3	122.5	160.9	38.1	0	0	0	0	108.8	R24 E29	R24-S27 PolarHBondContact O-OG 3.02Å; S27-E29 PolarHBondContact O-N 3.41Å
28	K	31.7	Very low	34.1	Very low	215 Å²	215	97.7 Å²	97.7	94%	0.935	52%	0.524	S	S	*	.			trans	-65.2	25.2	177	-71.8	-178.8	174.1	177.8	0	114.3	C26	C26-K28 PolarHBondContact O-N 3.45Å
29	E	30.9	Very low	34.3	Very low	160 Å²	160	105.3 Å²	105.3	75%	0.748	56%	0.555	S	S	*	*			trans	-91.9	127	174.9	-74.1	-173.9	166.4	0	0	110	S27 L31	S27-E29 PolarHBondContact O-N 3.41Å; E29-L31 PolarHBondContact O-N 3.39Å
30	P	33.5	Very low	34.8	Very low	99 Å²	99	100 Å²	100	64%	0.643	54%	0.542	S	S	*	.			trans	-66.8	134	176.7	28.6	-31.8	0	0	0	108.9	K32	P30-K32 HydrophobicContact CB-CG 4.35Å; P30-K32 PolarHBondContact O-N 2.94Å
31	L	42.2	Very low	35.1	Very low	112 Å²	112	101.2 Å²	101.2	59%	0.586	55%	0.552	S	S	*	*			trans	-64.4	63.9	167.1	-70.1	167.3	0	0	0	110.5	E29	E29-L31 PolarHBondContact O-N 3.39Å
32	K	33	Very low	35.5	Very low	194 Å²	194	101.7 Å²	101.7	84%	0.843	55%	0.551	S	S	*	*			trans	-95.1	102.6	169.7	-82.3	-176.4	175	-176.5	0	107.4	P30	P30-K32 HydrophobicContact CB-CG 4.35Å; P30-K32 PolarHBondContact O-N 2.94Å
33	G	41	Very low	35.8	Very low	71 Å²	71	105 Å²	105	73%	0.732	57%	0.566	S	S	*	*	S	Bend	trans	137.4	-2	171.6	0	0	0	0	0	117
34	L	42.9	Very low	36.4	Very low	81 Å²	81	108.3 Å²	108.3	42%	0.424	59%	0.588	S	S	.	*			trans	-83.8	122.9	-179.5	-154.3	75.2	0	0	0	110.6	D38 L40	L34-D38 HydrophobicContact CD1-CB 3.56Å; L34-D38 HydrophobicContact CG-CB 3.84Å; L34-L40 HydrophobicContact CD2-CD2 4.05Å; L34-L40 HydrophobicContact CD2-CG 4.47Å
35	K	35.8	Very low	37.1	Very low	155 Å²	155	108.2 Å²	108.2	67%	0.674	59%	0.589	S	S	*	*			trans	-83.6	153.3	175.9	-64.9	176.9	-176.1	173.7	0	109.8	G37 D38	K35-G37 PolarHBondContact O-N 3.45Å; K35-D38 WeakPolarHBondContact CB-OD2 3.48Å; K35-D38 PolarHBondContact N-OD2 3.44Å; K35-D38 PolarHBondContact O-N 2.86Å
36	P	37.5	Very low	37.3	Very low	143 Å²	143	111 Å²	111	93%	0.929	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	109.1	173.8	-16.9	29.6	0	0	0	109.8
37	G	42.6	Very low	37.6	Very low	78 Å²	78	113.2 Å²	113.2	80%	0.804	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.6	-13.6	-178	0	0	0	0	0	115.3	K35	K35-G37 PolarHBondContact O-N 3.45Å
38	D	35.7	Very low	37.9	Very low	82 Å²	82	112.1 Å²	112.1	44%	0.439	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-74.2	130.2	174.4	-64.5	-32.8	0	0	0	110.1	L34 K35 L40	L34-D38 HydrophobicContact CD1-CB 3.56Å; L34-D38 HydrophobicContact CG-CB 3.84Å; K35-D38 WeakPolarHBondContact CB-OD2 3.48Å; K35-D38 PolarHBondContact N-OD2 3.44Å; K35-D38 PolarHBondContact O-N 2.86Å; D38-L40 PolarHBondContact O-N 2.89Å
39	K	35.8	Very low	38	Very low	180 Å²	180	105.5 Å²	105.5	78%	0.783	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-57.5	125.4	173.7	-68.8	-171.4	179.1	-170	0	108.9
40	L	41.3	Very low	38.3	Very low	100 Å²	100	101.3 Å²	101.3	52%	0.524	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-54.1	130.4	169.3	-80.2	156.9	0	0	0	107.5	L34 D38 L42	L34-L40 HydrophobicContact CD2-CD2 4.05Å; L34-L40 HydrophobicContact CD2-CG 4.47Å; D38-L40 PolarHBondContact O-N 2.89Å; L40-L42 VanDerWaalsContact C-N 3.31Å; L40-L42 PolarHBondContact O-N 3.34Å
41	P	38.3	Very low	38.8	Very low	59 Å²	59	102.1 Å²	102.1	38%	0.383	58%	0.579	S	S	.	*	S	Bend	trans	-67.4	101.7	177.4	26.1	-30.4	0	0	0	107.1
42	L	40.9	Very low	38.9	Very low	55 Å²	55	100.1 Å²	100.1	29%	0.288	57%	0.568	S	S	.	*	S	Bend	trans	96.2	98.3	179	-52.4	156.2	0	0	0	114.1	A22 R24 L40	A22-L42 VanDerWaalsContact C-CB 3.49Å; A22-L42 HydrophobicContact CB-CB 3.46Å; A22-L42 VanDerWaalsContact CB-CB 3.46Å; A22-L42 HydrophobicContact CB-CD2 4.29Å; A22-L42 HydrophobicContact CB-CG 4.31Å; A22-L42 WeakPolarHBondContact O-CB 3.23Å; R24-L42 HydrophobicContact CB-CD1 4.27Å; L40-L42 VanDerWaalsContact C-N 3.31Å; L40-L42 PolarHBondContact O-N 3.34Å
43	D	34	Very low	39.3	Very low	84 Å²	84	95.1 Å²	95.1	45%	0.449	55%	0.551	S	S	.	*			trans	-61.5	132.8	160	-55.3	-28.7	0	0	0	107.1	A22 Y45 E46	A22-D43 WeakPolarHBondContact CB-O 3.3Å; D43-Y45 PolarHBondContact O-N 3.08Å; D43-E46 PolarHBondContact O-N 3.31Å
44	P	44.9	Very low	39.1	Very low	99 Å²	99	96.8 Å²	96.8	64%	0.643	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	9.3	-175.5	25.2	-33.9	0	0	0	114.9
45	Y	43	Very low	39.1	Very low	155 Å²	155	94.5 Å²	94.5	61%	0.608	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-2.3	176.5	-84.1	-79.7	0	0	0	113.9	D43 A47 K216	D43-Y45 PolarHBondContact O-N 3.08Å; Y45-A47 PolarHBondContact O-N 3.43Å; Y45-K216 PolarHBondContact OH-N 2.73Å; Y45-K216 PolarHBondContact OH-O 3.06Å
46	E	35.8	Very low	39.6	Very low	128 Å²	128	89.9 Å²	89.9	60%	0.598	52%	0.516	S	S	*	.	S	Bend	trans	-73.2	104.7	171.1	-149.1	150.2	-151.2	0	0	107.7	D43	D43-E46 PolarHBondContact O-N 3.31Å
47	A	37.3	Very low	39.8	Very low	80 Å²	80	91.5 Å²	91.5	66%	0.661	51%	0.509	S	S	*	.			trans	-51.9	147.6	-171.6	0	0	0	0	0	111.4	Y45	Y45-A47 PolarHBondContact O-N 3.43Å
48	V	38	Very low	40	Very low	25 Å²	25	91.6 Å²	91.6	15%	0.152	49%	0.491	C	S	.	.			trans	-45.1	128.9	164.7	-166	0	0	0	0	107.4	Q20 A50 L52	Q20-V48 HydrophobicContact CB-CG1 4.02Å; Q20-V48 HydrophobicContact CG-CG1 4.49Å; Q20-V48 WeakPolarHBondContact O-CA 3.36Å; V48-A50 PolarHBondContact O-N 2.88Å; V48-L52 HydrophobicContact CG1-CB 3.74Å; V48-L52 HydrophobicContact CG1-CD2 3.92Å; V48-L52 HydrophobicContact CG1-CG 4.46Å
49	P	33.3	Very low	40.7	Very low	76 Å²	76	91 Å²	91	49%	0.494	49%	0.487	S	S	.	.			trans	-52.5	125.2	-179.1	18	-30	0	0	0	108.2	E51 L52	P49-E51 PolarHBondContact O-N 3.13Å; P49-L52 PolarHBondContact O-N 2.82Å
50	A	38.4	Very low	41.1	Very low	72 Å²	72	84.5 Å²	84.5	60%	0.595	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-8	-168.5	0	0	0	0	0	115.3	V48 K54	V48-A50 PolarHBondContact O-N 2.88Å; A50-K54 WeakPolarHBondContact O-CE 3.43Å; A50-K54 WeakPolarHBondContact O-CG 3.31Å
51	E	43.5	Very low	41.3	Very low	116 Å²	116	90.6 Å²	90.6	54%	0.542	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.8	171.7	-154.8	65.3	-160.5	0	0	112.9	P49 K54 K57	P49-E51 PolarHBondContact O-N 3.13Å; E51-K54 IonicContact OE2-NZ 2.82Å; E51-K54 PolarHBondContact OE2-NZ 3.4Å; E51-K57 IonicContact OE1-NZ 3.82Å
52	L	44.8	Very low	41.8	Very low	69 Å²	69	90 Å²	90	36%	0.361	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-24.1	178.9	-142.4	103	0	0	0	113.9	Q20 V48 P49 K54	Q20-L52 HydrophobicContact CB-CD2 4.23Å; Q20-L52 VanDerWaalsContact CD-CD1 3.41Å; Q20-L52 HydrophobicContact CG-CD1 3.91Å; Q20-L52 HydrophobicContact CG-CD2 3.77Å; Q20-L52 HydrophobicContact CG-CG 4.35Å; V48-L52 HydrophobicContact CG1-CB 3.74Å; V48-L52 HydrophobicContact CG1-CD2 3.92Å; V48-L52 HydrophobicContact CG1-CG 4.46Å; P49-L52 PolarHBondContact O-N 2.82Å; L52-K54 VanDerWaalsContact C-N 3.33Å
53	D	40	Very low	42.5	Very low	90 Å²	90	88.6 Å²	88.6	48%	0.481	47%	0.474	S	S	.	.	S	Bend	trans	-85.4	-6.8	174.9	-73.3	-11.2	0	0	0	112.3	A55 P227	D53-A55 PolarHBondContact O-N 3.4Å; D53-P227 VanDerWaalsContact O-CB 3.24Å; D53-P227 WeakPolarHBondContact O-CB 2.91Å; D53-P227 VanDerWaalsContact O-CG 3.23Å; D53-P227 WeakPolarHBondContact O-CG 3.5Å
54	K	37.5	Very low	43.6	Very low	105 Å²	105	84.9 Å²	84.9	46%	0.457	46%	0.455	S	S	.	.	S	Bend	trans	-74.9	123.1	171.2	-75.4	169.6	-166	169.5	0	108.8	A50 E51 L52	A50-K54 WeakPolarHBondContact O-CE 3.43Å; A50-K54 WeakPolarHBondContact O-CG 3.31Å; E51-K54 IonicContact OE2-NZ 2.82Å; E51-K54 PolarHBondContact OE2-NZ 3.4Å; L52-K54 VanDerWaalsContact C-N 3.33Å
55	A	43.1	Very low	44.3	Very low	33 Å²	33	83.3 Å²	83.3	27%	0.273	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-50.3	137.6	164.7	0	0	0	0	0	108.6	D53 K57 I59	D53-A55 PolarHBondContact O-N 3.4Å; A55-K57 PolarHBondContact O-N 3.35Å; A55-I59 HydrophobicContact CB-CD1 4.31Å
56	P	47.1	Very low	45.2	Very low	58 Å²	58	81.4 Å²	81.4	38%	0.377	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-50.8	133.5	177.1	19.6	-31.4	0	0	0	109.6	F8 D58 I59	F8-P56 HydrophobicContact CZ-CG 4.49Å; P56-D58 VanDerWaalsContact C-OD1 3.31Å; P56-D58 WeakPolarHBondContact CB-OD1 3.45Å; P56-D58 PolarHBondContact O-N 2.98Å; P56-I59 HydrophobicContact CG-CD1 3.6Å; P56-I59 HydrophobicContact CG-CG1 4.16Å; P56-I59 PolarHBondContact O-N 3.22Å
57	K	41.3	Very low	46.6	Very low	178 Å²	178	80.1 Å²	80.1	77%	0.774	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	8.9	-163.4	-70.8	177.5	-177.8	164.8	0	115.1	E51 A55	E51-K57 IonicContact OE1-NZ 3.82Å; A55-K57 PolarHBondContact O-N 3.35Å
58	D	46.3	Very low	48	Very low	79 Å²	79	86.2 Å²	86.2	42%	0.422	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	6.8	-177.5	52	-41.4	0	0	0	113	P56 S60	P56-D58 VanDerWaalsContact C-OD1 3.31Å; P56-D58 WeakPolarHBondContact CB-OD1 3.45Å; P56-D58 PolarHBondContact O-N 2.98Å; D58-S60 PolarHBondContact O-N 3.15Å; D58-S60 VanDerWaalsContact O-N 3.16Å
59	I	49.5	Very low	49.5	Very low	70 Å²	70	87.3 Å²	87.3	36%	0.359	46%	0.459	S	S	.	.			trans	-75.4	100.9	168.7	-81.8	172.3	0	0	0	109.2	A55 P56	A55-I59 HydrophobicContact CB-CD1 4.31Å; P56-I59 HydrophobicContact CG-CD1 3.6Å; P56-I59 HydrophobicContact CG-CG1 4.16Å; P56-I59 PolarHBondContact O-N 3.22Å
60	S	45.3	Very low	51.4	Low	43 Å²	43	88 Å²	88	30%	0.301	47%	0.466	S	S	.	.			trans	-59.7	163	162.4	60.1	0	0	0	0	110	D58 T62 G63	D58-S60 PolarHBondContact O-N 3.15Å; D58-S60 VanDerWaalsContact O-N 3.16Å; S60-T62 PolarHBondContact O-N 2.92Å; S60-T62 PolarHBondContact OG-OG1 2.86Å; S60-G63 PolarHBondContact O-N 3.16Å
61	W	45.8	Very low	53.5	Low	229 Å²	229	89.5 Å²	89.5	87%	0.867	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-23.1	177.9	-176	81.2	0	0	0	113.5
62	T	48.1	Very low	55.4	Low	45 Å²	45	91.6 Å²	91.6	28%	0.276	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-9.4	175.9	57	0	0	0	0	115.1	S60	S60-T62 PolarHBondContact O-N 2.92Å; S60-T62 PolarHBondContact OG-OG1 2.86Å
63	G	55.4	Low	57.4	Low	26 Å²	26	92 Å²	92	27%	0.268	49%	0.489	S	S	.	.			trans	89.4	0.8	167.3	0	0	0	0	0	117.2	S60	S60-G63 PolarHBondContact O-N 3.16Å
64	S	57.4	Low	59.5	Low	6 Å²	6	92.3 Å²	92.3	4%	0.042	49%	0.487	C	S	.	.			trans	-96.3	139.3	175.3	69	0	0	0	0	112.6	F66 D82	S64-F66 PolarHBondContact O-N 3.47Å; S64-D82 WeakPolarHBondContact CB-OD1 3.32Å; S64-D82 PolarHBondContact OG-OD1 2.74Å
65	P	59.2	Low	61.7	Low	67 Å²	67	92.3 Å²	92.3	44%	0.435	49%	0.485	S	S	.	.	S	Bend	trans	-77	-2.9	176.9	30.8	-34.1	0	0	0	113.2	T67	P65-T67 VanDerWaalsContact C-N 3.3Å; P65-T67 PolarHBondContact O-N 3.47Å
66	F	63.1	Low	63.7	Low	115 Å²	115	93.6 Å²	93.6	50%	0.504	50%	0.496	S	S	.	.			trans	-90.5	51.2	-169.6	-58.2	-65.5	0	0	0	113.5	S64 K68 A78	S64-F66 PolarHBondContact O-N 3.47Å; F66-K68 VanDerWaalsContact C-N 3.26Å; F66-K68 PolarHBondContact O-N 2.8Å; F66-A78 HydrophobicContact CB-CB 4.21Å
67	T	65.5	Low	65.6	Low	100 Å²	100	94.7 Å²	94.7	61%	0.613	50%	0.499	S	S	*	.			trans	-72.6	-20.1	179.6	-39.5	0	0	0	0	112.7	P65	P65-T67 VanDerWaalsContact C-N 3.3Å; P65-T67 PolarHBondContact O-N 3.47Å
68	K	66.2	Low	67.6	Low	209 Å²	209	86.6 Å²	86.6	91%	0.909	47%	0.465	S	S	*	.			trans	-110.3	89	178	-67.8	-176.1	179.9	179.2	0	110.5	F66	F66-K68 VanDerWaalsContact C-N 3.26Å; F66-K68 PolarHBondContact O-N 2.8Å
69	T	68.1	Low	69.3	Low	47 Å²	47	88 Å²	88	29%	0.288	46%	0.464	S	S	.	.			trans	-98	134.2	175.1	54	0	0	0	0	110.8	E74 Y75 A78	T69-E74 HydrophobicContact CG2-CB 4.33Å; T69-Y75 HydrophobicContact CG2-CD2 4.49Å; T69-Y75 WeakPolarHBondContact OG1-CD2 3.41Å; T69-A78 HydrophobicContact CG2-CB 4.34Å
70	S	73.8	Confident	71.1	Confident	92 Å²	92	86.9 Å²	86.9	64%	0.643	47%	0.465	S	S	*	.	S	Bend	trans	-87.8	-31.4	-178.2	67.6	0	0	0	0	112.7	E74	S70-E74 PolarHBondContact N-OE2 3.3Å; S70-E74 VanDerWaalsContact N-OE2 3.16Å; S70-E74 PolarHBondContact OG-OE2 3.45Å
71	N	83.3	Confident	73	Confident	102 Å²	102	88 Å²	88	55%	0.545	47%	0.468	S	S	.	.	S	Bend	trans	-124.1	151.1	-172.9	-72.7	-43.6	0	0	0	112.5	A73 E74 Y75	N71-A73 VanDerWaalsContact C-N 3.27Å; N71-A73 PolarHBondContact O-N 3.29Å; N71-E74 HydrophobicContact CB-CG 4.23Å; N71-E74 PolarHBondContact N-OE2 2.92Å; N71-E74 WeakPolarHBondContact O-CB 3.3Å; N71-E74 PolarHBondContact O-N 2.91Å; N71-E74 VanDerWaalsContact O-N 3.1Å; N71-Y75 PolarHBondContact O-N 3.09Å
72	M	83.1	Confident	74.8	Confident	161 Å²	161	77.6 Å²	77.6	79%	0.793	43%	0.429	S	S	*	.	H	α-helix	trans	-59.6	-36.4	178	-168.8	67.2	78	0	0	112.5	Y75 A76	M72-Y75 PolarHBondContact O-N 3.04Å; M72-A76 PolarHBondContact O-N 3.38Å
73	A	87.2	Confident	76.7	Confident	78 Å²	78	80.6 Å²	80.6	65%	0.645	44%	0.442	S	S	*	.	H	α-helix	trans	-66.6	-36.9	176.7	0	0	0	0	0	112.7	N71 L77	N71-A73 VanDerWaalsContact C-N 3.27Å; N71-A73 PolarHBondContact O-N 3.29Å; A73-L77 WeakPolarHBondContact O-CB 3.36Å; A73-L77 PolarHBondContact O-N 2.78Å; A73-L77 VanDerWaalsContact O-N 3.08Å
74	E	83.2	Confident	78.3	Confident	95 Å²	95	82.8 Å²	82.8	44%	0.444	45%	0.447	S	S	.	.	H	α-helix	trans	-68	-39.3	174.5	-68.4	178.6	161.4	0	0	111	T69 S70 N71 L77 A78	T69-E74 HydrophobicContact CG2-CB 4.33Å; S70-E74 PolarHBondContact N-OE2 3.3Å; S70-E74 VanDerWaalsContact N-OE2 3.16Å; S70-E74 PolarHBondContact OG-OE2 3.45Å; N71-E74 HydrophobicContact CB-CG 4.23Å; N71-E74 PolarHBondContact N-OE2 2.92Å; N71-E74 WeakPolarHBondContact O-CB 3.3Å; N71-E74 PolarHBondContact O-N 2.91Å; N71-E74 VanDerWaalsContact O-N 3.1Å; E74-L77 PolarHBondContact O-N 2.98Å; E74-A78 VanDerWaalsContact O-CB 3.3Å; E74-A78 WeakPolarHBondContact O-CB 3.23Å; E74-A78 PolarHBondContact O-N 2.96Å
75	Y	83.2	Confident	79.6	Confident	105 Å²	105	85.8 Å²	85.8	41%	0.412	46%	0.463	S	S	.	.	H	α-helix	trans	-61.1	-47.7	175.5	-171.1	-92.1	0	0	0	111.9	T69 N71 M72 L77 A78 R79	T69-Y75 HydrophobicContact CG2-CD2 4.49Å; T69-Y75 WeakPolarHBondContact OG1-CD2 3.41Å; N71-Y75 PolarHBondContact O-N 3.09Å; M72-Y75 PolarHBondContact O-N 3.04Å; Y75-L77 VanDerWaalsContact C-N 3.33Å; Y75-L77 PolarHBondContact O-N 2.88Å; Y75-A78 PolarHBondContact O-N 3.42Å; Y75-R79 HydrophobicContact CD1-CG 4.09Å; Y75-R79 HydrophobicContact CE1-CG 3.74Å; Y75-R79 WeakPolarHBondContact O-CG 3.44Å; Y75-R79 PolarHBondContact O-N 2.92Å; Y75-R79 PolarHBondContact OH-NE 3.38Å; Y75-R79 PolarHBondContact OH-NH2 3.32Å
76	A	86.6	Confident	80.7	Confident	61 Å²	61	90.2 Å²	90.2	50%	0.504	47%	0.471	S	S	.	.	H	α-helix	trans	-61.1	-42.3	177.4	0	0	0	0	0	112	M72 R79 A80	M72-A76 PolarHBondContact O-N 3.38Å; A76-R79 PolarHBondContact O-N 2.54Å; A76-A80 PolarHBondContact O-N 3.36Å
77	L	86.1	Confident	81.9	Confident	81 Å²	81	88.1 Å²	88.1	42%	0.424	47%	0.468	S	S	.	.	H	α-helix	trans	-65	-44	177.2	-156	85.1	0	0	0	111.6	A73 E74 Y75 R79 A80 D81	A73-L77 WeakPolarHBondContact O-CB 3.36Å; A73-L77 PolarHBondContact O-N 2.78Å; A73-L77 VanDerWaalsContact O-N 3.08Å; E74-L77 PolarHBondContact O-N 2.98Å; Y75-L77 VanDerWaalsContact C-N 3.33Å; Y75-L77 PolarHBondContact O-N 2.88Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.37Å; L77-A80 WeakPolarHBondContact O-CB 3.46Å; L77-A80 PolarHBondContact O-N 3.02Å; L77-A80 VanDerWaalsContact O-N 3.16Å; L77-D81 PolarHBondContact O-N 2.93Å
78	A	83.3	Confident	82.9	Confident	8 Å²	8	88.7 Å²	88.7	7%	0.066	46%	0.459	C	S	.	.	H	α-helix	trans	-60.3	-40.7	177.1	0	0	0	0	0	111.8	F66 T69 E74 Y75 D81 D82	F66-A78 HydrophobicContact CB-CB 4.21Å; T69-A78 HydrophobicContact CG2-CB 4.34Å; E74-A78 VanDerWaalsContact O-CB 3.3Å; E74-A78 WeakPolarHBondContact O-CB 3.23Å; E74-A78 PolarHBondContact O-N 2.96Å; Y75-A78 PolarHBondContact O-N 3.42Å; A78-D81 PolarHBondContact O-N 3.31Å; A78-D82 VanDerWaalsContact O-CG 3.3Å; A78-D82 PolarHBondContact O-N 3.32Å
79	R	83	Confident	83.5	Confident	109 Å²	109	84.9 Å²	84.9	41%	0.411	44%	0.438	S	S	.	.	H	α-helix	trans	-68.6	-34.7	175.3	-65.7	-52.7	-179.9	-160	0.1	113.2	Y75 A76 L77 D82 I83	Y75-R79 HydrophobicContact CD1-CG 4.09Å; Y75-R79 HydrophobicContact CE1-CG 3.74Å; Y75-R79 WeakPolarHBondContact O-CG 3.44Å; Y75-R79 PolarHBondContact O-N 2.92Å; Y75-R79 PolarHBondContact OH-NE 3.38Å; Y75-R79 PolarHBondContact OH-NH2 3.32Å; A76-R79 PolarHBondContact O-N 2.54Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.37Å; R79-D82 IonicContact CZ-OD2 3.69Å; R79-D82 IonicContact NH1-OD2 3.01Å; R79-D82 PolarHBondContact NH1-OD2 2.77Å; R79-I83 WeakPolarHBondContact O-CG1 3.06Å; R79-I83 PolarHBondContact O-N 3.07Å
80	A	87.3	Confident	84.3	Confident	46 Å²	46	84.7 Å²	84.7	38%	0.38	45%	0.446	S	S	.	.	H	α-helix	trans	-64.8	-44.2	172.3	0	0	0	0	0	111.3	A76 L77 I83 I84	A76-A80 PolarHBondContact O-N 3.36Å; L77-A80 WeakPolarHBondContact O-CB 3.46Å; L77-A80 PolarHBondContact O-N 3.02Å; L77-A80 VanDerWaalsContact O-N 3.16Å; A80-I83 PolarHBondContact O-N 2.88Å; A80-I84 WeakPolarHBondContact O-CG1 3.27Å; A80-I84 PolarHBondContact O-N 3.03Å; A80-I84 VanDerWaalsContact O-N 3.08Å
81	D	84.5	Confident	85	Confident	66 Å²	66	82.6 Å²	82.6	35%	0.353	43%	0.432	S	S	.	.	H	α-helix	trans	-64.3	-39	176.5	-78.2	-28.9	0	0	0	112.3	L77 A78 I83 I84 N85	L77-D81 PolarHBondContact O-N 2.93Å; A78-D81 PolarHBondContact O-N 3.31Å; D81-I83 VanDerWaalsContact C-N 3.33Å; D81-I83 PolarHBondContact O-N 3.42Å; D81-I84 PolarHBondContact O-N 3.45Å; D81-N85 VanDerWaalsContact O-CB 3.31Å; D81-N85 WeakPolarHBondContact O-CB 3.28Å; D81-N85 VanDerWaalsContact O-CG 3.22Å; D81-N85 PolarHBondContact O-N 3.2Å; D81-N85 PolarHBondContact O-ND2 3.36Å; D81-N85 VanDerWaalsContact O-ND2 3.13Å
82	D	84	Confident	85.1	Confident	10 Å²	10	79.7 Å²	79.7	5%	0.053	42%	0.416	C	S	.	.	H	α-helix	trans	-54.5	-49	173.5	-79.1	-28	0	0	0	111.2	S64 A78 R79 N85 W86	S64-D82 WeakPolarHBondContact CB-OD1 3.32Å; S64-D82 PolarHBondContact OG-OD1 2.74Å; A78-D82 VanDerWaalsContact O-CG 3.3Å; A78-D82 PolarHBondContact O-N 3.32Å; R79-D82 IonicContact CZ-OD2 3.69Å; R79-D82 IonicContact NH1-OD2 3.01Å; R79-D82 PolarHBondContact NH1-OD2 2.77Å; D82-N85 PolarHBondContact O-N 3.16Å; D82-W86 VanDerWaalsContact O-CB 3.23Å; D82-W86 WeakPolarHBondContact O-CB 3.43Å; D82-W86 PolarHBondContact O-N 2.75Å
83	I	87.3	Confident	85.6	Confident	108 Å²	108	77 Å²	77	55%	0.554	40%	0.397	S	S	*	.	H	α-helix	trans	-66.2	-42.9	-178.2	-66.6	166.5	0	0	0	110.9	R79 A80 D81 W86 T87	R79-I83 WeakPolarHBondContact O-CG1 3.06Å; R79-I83 PolarHBondContact O-N 3.07Å; A80-I83 PolarHBondContact O-N 2.88Å; D81-I83 VanDerWaalsContact C-N 3.33Å; D81-I83 PolarHBondContact O-N 3.42Å; I83-W86 PolarHBondContact O-N 2.9Å; I83-T87 WeakPolarHBondContact O-CB 3.49Å; I83-T87 PolarHBondContact O-N 3.23Å; I83-T87 PolarHBondContact O-OG1 3.41Å
84	I	88	Confident	85.8	Confident	72 Å²	72	73.3 Å²	73.3	37%	0.369	37%	0.366	S	S	.	.	H	α-helix	trans	-63.4	-45	178.5	-68.1	167	0	0	0	110.5	A80 D81 T87 R88	A80-I84 WeakPolarHBondContact O-CG1 3.27Å; A80-I84 PolarHBondContact O-N 3.03Å; A80-I84 VanDerWaalsContact O-N 3.08Å; D81-I84 PolarHBondContact O-N 3.45Å; I84-T87 PolarHBondContact O-N 3.46Å; I84-R88 WeakPolarHBondContact O-CG 2.99Å; I84-R88 PolarHBondContact O-N 3.5Å
85	N	85.5	Confident	86.2	Confident	70 Å²	70	69.2 Å²	69.2	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-69.3	-38	-179.9	-70.5	-30.2	0	0	0	111.9	D81 D82 R88 R89	D81-N85 VanDerWaalsContact O-CB 3.31Å; D81-N85 WeakPolarHBondContact O-CB 3.28Å; D81-N85 VanDerWaalsContact O-CG 3.22Å; D81-N85 PolarHBondContact O-N 3.2Å; D81-N85 PolarHBondContact O-ND2 3.36Å; D81-N85 VanDerWaalsContact O-ND2 3.13Å; D82-N85 PolarHBondContact O-N 3.16Å; N85-R88 PolarHBondContact O-N 3.01Å; N85-R89 VanDerWaalsContact O-CB 3.27Å; N85-R89 WeakPolarHBondContact O-CB 3.32Å; N85-R89 PolarHBondContact O-N 2.92Å
86	W	82.7	Confident	86.6	Confident	159 Å²	159	66.8 Å²	66.8	60%	0.602	35%	0.346	S	S	*	.	H	α-helix	trans	-60.7	-46.5	172.7	178.1	78.1	0	0	0	111.4	D82 I83 R88 R89 G90	D82-W86 VanDerWaalsContact O-CB 3.23Å; D82-W86 WeakPolarHBondContact O-CB 3.43Å; D82-W86 PolarHBondContact O-N 2.75Å; I83-W86 PolarHBondContact O-N 2.9Å; W86-R88 PolarHBondContact O-N 3.49Å; W86-R89 PolarHBondContact O-N 3.04Å; W86-G90 PolarHBondContact O-N 2.81Å
87	T	87.7	Confident	86.7	Confident	71 Å²	71	64.8 Å²	64.8	44%	0.436	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-47.1	178.1	-54.4	0	0	0	0	111.3	I83 I84 G90 S91	I83-T87 WeakPolarHBondContact O-CB 3.49Å; I83-T87 PolarHBondContact O-N 3.23Å; I83-T87 PolarHBondContact O-OG1 3.41Å; I84-T87 PolarHBondContact O-N 3.46Å; T87-G90 PolarHBondContact O-N 3.11Å; T87-S91 PolarHBondContact O-N 3.25Å; T87-S91 PolarHBondContact O-OG 3.32Å
88	R	85.9	Confident	87	Confident	112 Å²	112	63.2 Å²	63.2	42%	0.423	33%	0.329	S	S	.	.	H	α-helix	trans	-64.6	-39.8	178.4	-73.3	172.2	175.8	169.3	1.2	112.8	I84 N85 W86 W179	I84-R88 WeakPolarHBondContact O-CG 2.99Å; I84-R88 PolarHBondContact O-N 3.5Å; N85-R88 PolarHBondContact O-N 3.01Å; W86-R88 PolarHBondContact O-N 3.49Å; R88-W179 HydrophobicContact CB-CH2 4.31Å
89	R	80.6	Confident	87.3	Confident	129 Å²	129	65.4 Å²	65.4	49%	0.487	34%	0.339	S	S	.	.	H	α-helix	trans	-71.8	-32.1	178.8	-179	177.7	179.4	168.5	-2.7	112.4	N85 W86 S91	N85-R89 VanDerWaalsContact O-CB 3.27Å; N85-R89 WeakPolarHBondContact O-CB 3.32Å; N85-R89 PolarHBondContact O-N 2.92Å; W86-R89 PolarHBondContact O-N 3.04Å; R89-S91 VanDerWaalsContact C-N 3.35Å
90	G	83.9	Confident	87.8	Confident	44 Å²	44	61.9 Å²	61.9	45%	0.454	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.5	-178.3	0	0	0	0	0	115.3	W86 T87	W86-G90 PolarHBondContact O-N 2.81Å; T87-G90 PolarHBondContact O-N 3.11Å
91	S	88.5	Confident	88	Confident	48 Å²	48	63 Å²	63	34%	0.336	34%	0.338	S	S	.	.	S	Bend	trans	-144.7	40.5	-175.7	58.4	0	0	0	0	113.4	T87 R89 W93 G120	T87-S91 PolarHBondContact O-N 3.25Å; T87-S91 PolarHBondContact O-OG 3.32Å; R89-S91 VanDerWaalsContact C-N 3.35Å; S91-W93 PolarHBondContact O-N 3.24Å; S91-G120 CarbonylContact C-O 3.49Å
92	I	86.5	Confident	88.2	Confident	41 Å²	41	60.1 Å²	60.1	21%	0.21	32%	0.323	C	S	.	.			trans	-77.4	122	-174.5	-162.6	172.8	0	0	0	111.4	P94 G120 V121 C132 W179	I92-P94 WeakPolarHBondContact O-CD 3.49Å; I92-G120 PolarHBondContact N-O 3.03Å; I92-V121 HydrophobicContact CG2-CB 4.28Å; I92-V121 HydrophobicContact CG2-CG1 3.95Å; I92-V121 HydrophobicContact CG2-CG2 3.67Å; I92-V121 WeakPolarHBondContact O-CA 3.35Å; I92-C132 HydrophobicContact CD1-CB 3.9Å; I92-C132 HydrophobicContact CG1-CB 4.05Å; I92-W179 HydrophobicContact CD1-CE3 4.3Å
93	W	92.6	Very high	88.5	Confident	105 Å²	105	60.3 Å²	60.3	40%	0.398	33%	0.326	S	S	.	.			trans	-104.1	97.4	-179.2	-64.4	-6.4	0	0	0	111.9	S91 A130 D131 C132	S91-W93 PolarHBondContact O-N 3.24Å; W93-A130 WeakPolarHBondContact O-CA 3.29Å; W93-D131 PolarHBondContact O-N 2.9Å; W93-C132 PolarHBondContact O-N 2.98Å
94	P	91.2	Very high	88.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	134.8	177.5	25.1	-34.3	0	0	0	113.2	I92 M116 V121 V122 F123 R124 C132 I134	I92-P94 WeakPolarHBondContact O-CD 3.49Å; P94-M116 HydrophobicContact CG-CE 4.05Å; P94-V121 HydrophobicContact CG-CG1 3.49Å; P94-V121 VanDerWaalsContact CG-CG1 3.49Å; P94-V122 VanDerWaalsContact CD-O 3.28Å; P94-V122 WeakPolarHBondContact CD-O 3.38Å; P94-F123 HydrophobicContact CB-CD1 4.06Å; P94-F123 HydrophobicContact CB-CE1 3.97Å; P94-F123 HydrophobicContact CG-CD1 3.66Å; P94-F123 HydrophobicContact CG-CE1 3.67Å; P94-F123 HydrophobicContact CG-CG 4.5Å; P94-F123 WeakPolarHBondContact O-CA 3.38Å; P94-R124 PolarHBondContact O-N 2.72Å; P94-C132 CarbonylContact C-O 3.5Å; P94-C132 WeakPolarHBondContact CA-O 3.45Å; P94-C132 WeakPolarHBondContact CA-SG 3.41Å; P94-C132 WeakPolarHBondContact CB-SG 3.17Å; P94-I134 HydrophobicContact CB-CD1 3.56Å; P94-I134 HydrophobicContact CB-CG1 3.81Å; P94-I134 HydrophobicContact CG-CD1 4.25Å
95	L	92	Very high	88.7	Confident	9 Å²	9	57.4 Å²	57.4	5%	0.047	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.1	155.2	-174.6	131.4	0	0	0	109.3	F97 R124 P127 A130 C132 M133 I134 I170	L95-F97 HydrophobicContact CD2-CD2 3.31Å; L95-F97 HydrophobicContact CD2-CE2 3.09Å; L95-F97 HydrophobicContact CD2-CG 4.21Å; L95-F97 HydrophobicContact CD2-CZ 3.88Å; L95-F97 PolarHBondContact O-N 3.17Å; L95-R124 WeakPolarHBondContact CA-O 3.47Å; L95-P127 VanDerWaalsContact CD1-CA 3.49Å; L95-P127 HydrophobicContact CD1-CB 3.77Å; L95-P127 HydrophobicContact CD1-CG 4.42Å; L95-A130 HydrophobicContact CB-CB 3.68Å; L95-A130 HydrophobicContact CD1-CB 4.44Å; L95-C132 PolarHBondContact N-O 3.43Å; L95-M133 HydrophobicContact CD2-CG 4.17Å; L95-I134 PolarHBondContact O-N 3.02Å; L95-I170 HydrophobicContact CD2-CG2 3.96Å
96	S	90.8	Very high	88.8	Confident	54 Å²	54	54.4 Å²	54.4	38%	0.378	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	113.8	178.6	54	0	0	0	0	111.5	M106	S96-M106 WeakPolarHBondContact CB-SD 3.13Å
97	F	90.1	Very high	89.1	Confident	19 Å²	19	52.4 Å²	52.4	8%	0.083	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	82.7	163.2	-84.5	-78.3	0	0	0	110.3	L95 L99 M133 I134 A136 M143 L147 I170	L95-F97 HydrophobicContact CD2-CD2 3.31Å; L95-F97 HydrophobicContact CD2-CE2 3.09Å; L95-F97 HydrophobicContact CD2-CG 4.21Å; L95-F97 HydrophobicContact CD2-CZ 3.88Å; L95-F97 PolarHBondContact O-N 3.17Å; F97-L99 PolarHBondContact O-N 3.16Å; F97-L99 VanDerWaalsContact O-N 3.15Å; F97-M133 HydrophobicContact CD2-CG 3.57Å; F97-M133 HydrophobicContact CD2-SD 3.88Å; F97-M133 HydrophobicContact CE2-CG 3.68Å; F97-M133 HydrophobicContact CE2-SD 3.45Å; F97-M133 WeakPolarHBondContact CE2-SD 3.21Å; F97-I134 WeakPolarHBondContact CA-O 3.16Å; F97-I134 WeakPolarHBondContact CB-O 3.45Å; F97-I134 PolarHBondContact N-O 3.05Å; F97-A136 PolarHBondContact O-N 3.43Å; F97-M143 HydrophobicContact CD1-CE 4.22Å; F97-M143 HydrophobicContact CE1-CE 3.94Å; F97-L147 HydrophobicContact CD1-CD2 4.2Å; F97-L147 HydrophobicContact CD2-CD2 3.94Å; F97-L147 HydrophobicContact CE1-CD2 3.94Å; F97-L147 HydrophobicContact CE2-CD2 3.65Å; F97-L147 HydrophobicContact CG-CD2 4.16Å; F97-L147 HydrophobicContact CZ-CD2 3.6Å; F97-I170 HydrophobicContact CE1-CD1 3.68Å; F97-I170 HydrophobicContact CE2-CB 4.29Å; F97-I170 HydrophobicContact CE2-CG2 3.47Å; F97-I170 VanDerWaalsContact CE2-CG2 3.47Å; F97-I170 HydrophobicContact CZ-CB 3.75Å; F97-I170 HydrophobicContact CZ-CD1 3.34Å; F97-I170 HydrophobicContact CZ-CG1 4.08Å; F97-I170 HydrophobicContact CZ-CG2 3.34Å
98	G	91.2	Very high	89.1	Confident	47 Å²	47	53.6 Å²	53.6	49%	0.485	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	89.1	173.8	0	0	0	0	0	112.2
99	L	90.8	Very high	89	Confident	54 Å²	54	49 Å²	49	28%	0.283	28%	0.276	S	S	.	.			trans	-92.2	-28.3	-176.1	-59.9	177.5	0	0	0	113.8	F97 V135 A136 T138 V139 M143	F97-L99 PolarHBondContact O-N 3.16Å; F97-L99 VanDerWaalsContact O-N 3.15Å; L99-V135 HydrophobicContact CD1-CG1 4.16Å; L99-A136 PolarHBondContact N-O 3.45Å; L99-T138 WeakPolarHBondContact CD1-O 3.28Å; L99-V139 HydrophobicContact CD1-CG2 3.83Å; L99-M143 HydrophobicContact CD2-CE 4.04Å; L99-M143 HydrophobicContact CD2-CG 4.21Å
100	A	92.9	Very high	89.2	Confident	36 Å²	36	45 Å²	45	30%	0.298	27%	0.271	S	S	.	.	S	Bend	trans	-152.6	-154	-174.6	0	0	0	0	0	111.6	C102 A103 A136 T138	A100-C102 PolarHBondContact O-N 3.25Å; A100-A103 WeakPolarHBondContact O-CB 3.49Å; A100-A103 PolarHBondContact O-N 2.89Å; A100-A136 PolarHBondContact N-O 2.95Å; A100-T138 HydrophobicContact CB-CG2 4.17Å
101	C	92	Very high	89.5	Confident	70 Å²	70	44.5 Å²	44.5	47%	0.473	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.4	-178.4	58.4	0	0	0	0	115.7	I104	C101-I104 WeakPolarHBondContact O-CG2 3.48Å
102	C	88.5	Confident	89.4	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.034	29%	0.286	C	S	.	.	H	α-helix	trans	-76.6	-17.1	169.4	-60.9	0	0	0	0	111.9	A100 E105 M106 A136 M183	A100-C102 PolarHBondContact O-N 3.25Å; C102-E105 PolarHBondContact O-N 3.22Å; C102-M106 PolarHBondContact O-N 3.46Å; C102-A136 HydrophobicContact CB-CB 3.79Å; C102-M183 HydrophobicContact CB-CG 4.33Å; C102-M183 HydrophobicContact CB-SD 4.44Å
103	A	90.2	Very high	89.4	Confident	14 Å²	14	56.3 Å²	56.3	12%	0.116	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-38.8	174	0	0	0	0	0	112.2	A100 M106 M107	A100-A103 WeakPolarHBondContact O-CB 3.49Å; A100-A103 PolarHBondContact O-N 2.89Å; A103-M106 WeakPolarHBondContact O-CB 3.25Å; A103-M106 PolarHBondContact O-N 3.17Å; A103-M107 WeakPolarHBondContact O-CG 3.4Å; A103-M107 PolarHBondContact O-N 2.91Å
104	I	90.6	Very high	88.9	Confident	85 Å²	85	54.6 Å²	54.6	44%	0.436	31%	0.307	S	S	.	.	H	α-helix	trans	-70	-34.7	178.9	-169.1	65.7	0	0	0	111.5	C101 M106 M107 H108	C101-I104 WeakPolarHBondContact O-CG2 3.48Å; I104-M106 VanDerWaalsContact C-N 3.32Å; I104-M107 HydrophobicContact CD1-CB 4.37Å; I104-M107 HydrophobicContact CD1-SD 3.85Å; I104-M107 WeakPolarHBondContact O-CB 3.45Å; I104-M107 PolarHBondContact O-N 2.9Å; I104-H108 PolarHBondContact O-CD2 3.15Å; I104-H108 PolarHBondContact O-N 3.04Å
105	E	88.4	Confident	88.6	Confident	34 Å²	34	57.9 Å²	57.9	16%	0.159	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-36	171.5	-76.6	-69.5	166.9	0	0	111.7	C102 M107 H108 F109 M183 P217 T218 T220	C102-E105 PolarHBondContact O-N 3.22Å; E105-M107 VanDerWaalsContact C-N 3.31Å; E105-M107 PolarHBondContact O-N 3.05Å; E105-H108 PolarHBondContact O-N 3.04Å; E105-F109 PolarHBondContact O-N 2.93Å; E105-M183 HydrophobicContact CB-CE 3.78Å; E105-P217 HydrophobicContact CG-CB 3.8Å; E105-P217 HydrophobicContact CG-CG 4.14Å; E105-T218 VanDerWaalsContact CB-O 3.31Å; E105-T218 WeakPolarHBondContact CB-O 3.12Å; E105-T218 VanDerWaalsContact CD-O 3.23Å; E105-T218 WeakPolarHBondContact CG-O 3.48Å; E105-T220 PolarHBondContact OE2-N 2.86Å; E105-T220 VanDerWaalsContact OE2-N 3.13Å; E105-T220 PolarHBondContact OE2-OG1 2.79Å
106	M	87.1	Confident	88.2	Confident	6 Å²	6	57.7 Å²	57.7	3%	0.03	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-36.2	171	-164.9	-168.7	-46.2	0	0	112.2	S96 C102 A103 I104 F109 A110 F123 I134 A136 M183	S96-M106 WeakPolarHBondContact CB-SD 3.13Å; C102-M106 PolarHBondContact O-N 3.46Å; A103-M106 WeakPolarHBondContact O-CB 3.25Å; A103-M106 PolarHBondContact O-N 3.17Å; I104-M106 VanDerWaalsContact C-N 3.32Å; M106-F109 WeakPolarHBondContact O-CB 3.39Å; M106-F109 PolarHBondContact O-N 2.84Å; M106-A110 PolarHBondContact O-N 3.44Å; M106-A110 VanDerWaalsContact O-N 3.16Å; M106-F123 HydrophobicContact CG-CE1 3.97Å; M106-F123 HydrophobicContact CG-CE2 4.26Å; M106-F123 HydrophobicContact CG-CZ 3.4Å; M106-F123 VanDerWaalsContact CG-CZ 3.4Å; M106-F123 HydrophobicContact SD-CD1 4.41Å; M106-F123 HydrophobicContact SD-CE1 3.4Å; M106-F123 WeakPolarHBondContact SD-CE1 3.23Å; M106-F123 HydrophobicContact SD-CZ 3.5Å; M106-F123 WeakPolarHBondContact SD-CZ 3.39Å; M106-I134 HydrophobicContact CE-CB 3.99Å; M106-I134 HydrophobicContact CE-CG2 3.5Å; M106-I134 VanDerWaalsContact CE-CG2 3.5Å; M106-I134 HydrophobicContact SD-CB 4.41Å; M106-I134 HydrophobicContact SD-CD1 4.48Å; M106-I134 HydrophobicContact SD-CG2 4.31Å; M106-A136 HydrophobicContact CE-CB 3.07Å; M106-M183 HydrophobicContact CB-SD 4.3Å; M106-M183 HydrophobicContact CE-SD 4.41Å
107	M	89.5	Confident	88	Confident	118 Å²	118	59.8 Å²	59.8	58%	0.581	33%	0.331	S	S	*	.	H	α-helix	trans	-68.3	-36.7	172.8	-66.3	168.8	-173.8	0	0	111.8	A103 I104 E105 F109 A110 A111	A103-M107 WeakPolarHBondContact O-CG 3.4Å; A103-M107 PolarHBondContact O-N 2.91Å; I104-M107 HydrophobicContact CD1-CB 4.37Å; I104-M107 HydrophobicContact CD1-SD 3.85Å; I104-M107 WeakPolarHBondContact O-CB 3.45Å; I104-M107 PolarHBondContact O-N 2.9Å; E105-M107 VanDerWaalsContact C-N 3.31Å; E105-M107 PolarHBondContact O-N 3.05Å; M107-F109 PolarHBondContact O-N 2.87Å; M107-A110 CarbonylContact O-C 3.52Å; M107-A110 WeakPolarHBondContact O-CA 3.5Å; M107-A110 WeakPolarHBondContact O-CB 3.4Å; M107-A110 PolarHBondContact O-N 3.27Å; M107-A111 PolarHBondContact O-N 2.79Å
108	H	88.7	Confident	87.6	Confident	95 Å²	95	67.2 Å²	67.2	44%	0.44	36%	0.358	S	S	.	.	H	α-helix	trans	-66.2	-28.7	172.3	-77.9	-155.7	0	0	0	112	I104 E105 A110 A111 T220	I104-H108 PolarHBondContact O-CD2 3.15Å; I104-H108 PolarHBondContact O-N 3.04Å; E105-H108 PolarHBondContact O-N 3.04Å; H108-A110 VanDerWaalsContact C-N 3.27Å; H108-A111 VanDerWaalsContact O-CB 3.27Å; H108-A111 WeakPolarHBondContact O-CB 3.33Å; H108-A111 PolarHBondContact O-N 2.89Å; H108-T220 HydrophobicContact CB-CG2 3.8Å
109	F	83	Confident	87.1	Confident	15 Å²	15	69 Å²	69	7%	0.066	35%	0.352	C	S	.	.	H	α-helix	trans	-71.3	-23.7	171.1	-178.8	-111.8	0	0	0	111.9	E105 M106 M107 Y114 M116 T220 M223 Y224	E105-F109 PolarHBondContact O-N 2.93Å; M106-F109 WeakPolarHBondContact O-CB 3.39Å; M106-F109 PolarHBondContact O-N 2.84Å; M107-F109 PolarHBondContact O-N 2.87Å; F109-Y114 CarbonylContact O-C 3.56Å; F109-M116 HydrophobicContact CD1-CB 3.73Å; F109-M116 HydrophobicContact CD1-CE 4.37Å; F109-M116 HydrophobicContact CD1-CG 4.06Å; F109-M116 HydrophobicContact CD1-SD 3.25Å; F109-M116 WeakPolarHBondContact CD1-SD 3.23Å; F109-M116 HydrophobicContact CE1-CB 3.24Å; F109-M116 HydrophobicContact CE1-CE 4.17Å; F109-M116 HydrophobicContact CE1-CG 3.96Å; F109-M116 HydrophobicContact CE1-SD 3.48Å; F109-M116 WeakPolarHBondContact CE1-SD 3.17Å; F109-M116 HydrophobicContact CE2-CB 4.16Å; F109-M116 HydrophobicContact CG-CB 4.35Å; F109-M116 HydrophobicContact CG-SD 4.24Å; F109-M116 HydrophobicContact CZ-CB 3.49Å; F109-M116 VanDerWaalsContact CZ-CB 3.49Å; F109-M116 PolarHBondContact O-N 3.21Å; F109-T220 HydrophobicContact CB-CG2 3.63Å; F109-T220 HydrophobicContact CD2-CG2 4.48Å; F109-M223 HydrophobicContact CD1-CE 3.74Å; F109-M223 HydrophobicContact CD1-SD 4.34Å; F109-M223 HydrophobicContact CD2-CB 4.06Å; F109-M223 HydrophobicContact CD2-CG 4.25Å; F109-M223 HydrophobicContact CE1-CE 3.93Å; F109-M223 HydrophobicContact CE1-CG 4.42Å; F109-M223 HydrophobicContact CE2-CB 4.09Å; F109-M223 HydrophobicContact CE2-CG 4.15Å; F109-M223 HydrophobicContact CG-CE 4.31Å; F109-M223 HydrophobicContact CG-CG 4.45Å; F109-M223 HydrophobicContact CG-SD 4.32Å; F109-M223 HydrophobicContact CZ-CG 4.25Å; F109-Y224 HydrophobicContact CE2-CD2 4.03Å
110	A	85.4	Confident	86.8	Confident	46 Å²	46	67.5 Å²	67.5	38%	0.38	35%	0.35	S	S	.	.	S	Bend	trans	-85.5	-11.4	168.4	0	0	0	0	0	113.7	M106 M107 H108 M116 F123	M106-A110 PolarHBondContact O-N 3.44Å; M106-A110 VanDerWaalsContact O-N 3.16Å; M107-A110 CarbonylContact O-C 3.52Å; M107-A110 WeakPolarHBondContact O-CA 3.5Å; M107-A110 WeakPolarHBondContact O-CB 3.4Å; M107-A110 PolarHBondContact O-N 3.27Å; H108-A110 VanDerWaalsContact C-N 3.27Å; A110-M116 HydrophobicContact CB-SD 4.11Å; A110-F123 HydrophobicContact CB-CD2 4.41Å; A110-F123 HydrophobicContact CB-CE2 4.01Å
111	A	89.2	Confident	86.5	Confident	33 Å²	33	66.8 Å²	66.8	27%	0.273	34%	0.342	S	S	.	.	S	Bend	trans	-75.5	157.5	-176.6	0	0	0	0	0	110.6	M107 H108 R113 Y114 D115	M107-A111 PolarHBondContact O-N 2.79Å; H108-A111 VanDerWaalsContact O-CB 3.27Å; H108-A111 WeakPolarHBondContact O-CB 3.33Å; H108-A111 PolarHBondContact O-N 2.89Å; A111-R113 PolarHBondContact O-N 2.93Å; A111-Y114 CarbonylContact O-C 3.54Å; A111-Y114 PolarHBondContact O-N 3.26Å; A111-D115 PolarHBondContact O-N 2.8Å
112	P	87.7	Confident	86.4	Confident	128 Å²	128	66.5 Å²	66.5	83%	0.831	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.2	-171.2	22.3	-35.5	0	0	0	114.8
113	R	85.4	Confident	86.4	Confident	210 Å²	210	69.4 Å²	69.4	79%	0.792	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-34.8	176.4	-166.6	175.4	-145.7	155.8	6.7	112.7	A111	A111-R113 PolarHBondContact O-N 2.93Å
114	Y	81.8	Confident	86.4	Confident	69 Å²	69	72 Å²	72	27%	0.271	36%	0.357	S	S	.	.	S	Bend	trans	-129.2	36.5	-175.2	-62	-65.8	0	0	0	111.3	F109 A111 M116 T220 Y224	F109-Y114 CarbonylContact O-C 3.56Å; A111-Y114 CarbonylContact O-C 3.54Å; A111-Y114 PolarHBondContact O-N 3.26Å; Y114-M116 PolarHBondContact O-N 3.37Å; Y114-T220 HydrophobicContact CD2-CG2 3.63Å; Y114-T220 HydrophobicContact CE2-CG2 4.26Å; Y114-T220 HydrophobicContact CG-CG2 4.18Å; Y114-Y224 HydrophobicContact CD1-CD2 4.28Å; Y114-Y224 HydrophobicContact CD1-CG 4.46Å
115	D	85.2	Confident	86.2	Confident	69 Å²	69	72.7 Å²	72.7	37%	0.369	38%	0.376	S	S	.	.			trans	-47.6	100.5	-171.7	-177.4	14.8	0	0	0	113.5	A111 D117 R118	A111-D115 PolarHBondContact O-N 2.8Å; D115-D117 VanDerWaalsContact C-N 3.26Å; D115-D117 PolarHBondContact O-N 3.4Å; D115-D117 WeakPolarHBondContact OD1-CB 3.44Å; D115-D117 PolarHBondContact OD1-N 2.91Å; D115-R118 WeakPolarHBondContact O-CB 3.27Å; D115-R118 PolarHBondContact O-N 3.32Å
116	M	83.7	Confident	86.2	Confident	4 Å²	4	73.1 Å²	73.1	2%	0.02	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-70.9	-19.8	178.6	62.9	-176	-94	0	0	113.5	P94 F109 A110 Y114 R118 F119 V121 F123	P94-M116 HydrophobicContact CG-CE 4.05Å; F109-M116 HydrophobicContact CD1-CB 3.73Å; F109-M116 HydrophobicContact CD1-CE 4.37Å; F109-M116 HydrophobicContact CD1-CG 4.06Å; F109-M116 HydrophobicContact CD1-SD 3.25Å; F109-M116 WeakPolarHBondContact CD1-SD 3.23Å; F109-M116 HydrophobicContact CE1-CB 3.24Å; F109-M116 HydrophobicContact CE1-CE 4.17Å; F109-M116 HydrophobicContact CE1-CG 3.96Å; F109-M116 HydrophobicContact CE1-SD 3.48Å; F109-M116 WeakPolarHBondContact CE1-SD 3.17Å; F109-M116 HydrophobicContact CE2-CB 4.16Å; F109-M116 HydrophobicContact CG-CB 4.35Å; F109-M116 HydrophobicContact CG-SD 4.24Å; F109-M116 HydrophobicContact CZ-CB 3.49Å; F109-M116 VanDerWaalsContact CZ-CB 3.49Å; F109-M116 PolarHBondContact O-N 3.21Å; A110-M116 HydrophobicContact CB-SD 4.11Å; Y114-M116 PolarHBondContact O-N 3.37Å; M116-R118 PolarHBondContact O-N 3.02Å; M116-F119 PolarHBondContact O-N 3.34Å; M116-V121 HydrophobicContact CB-CB 4.21Å; M116-V121 HydrophobicContact CE-CB 3.79Å; M116-V121 HydrophobicContact CE-CG1 3.33Å; M116-V121 VanDerWaalsContact CE-O 3.23Å; M116-V121 WeakPolarHBondContact CE-O 3.44Å; M116-V121 WeakPolarHBondContact O-CB 3.37Å; M116-V121 PolarHBondContact O-N 2.85Å; M116-F123 HydrophobicContact CE-CD1 4.23Å; M116-F123 HydrophobicContact CE-CD2 3.61Å; M116-F123 HydrophobicContact CE-CE1 3.89Å; M116-F123 HydrophobicContact CE-CE2 3.26Å; M116-F123 HydrophobicContact CE-CG 4.08Å; M116-F123 HydrophobicContact CE-CZ 3.36Å; M116-F123 HydrophobicContact SD-CD2 3.89Å; M116-F123 HydrophobicContact SD-CE2 3.12Å; M116-F123 WeakPolarHBondContact SD-CE2 3.38Å; M116-F123 HydrophobicContact SD-CZ 3.48Å; M116-F123 WeakPolarHBondContact SD-CZ 3.37Å
117	D	87.4	Confident	86.4	Confident	98 Å²	98	73.9 Å²	73.9	52%	0.524	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-64.1	-30.1	178.2	-163.3	49.5	0	0	0	110.6	D115 F119 G120 V122	D115-D117 VanDerWaalsContact C-N 3.26Å; D115-D117 PolarHBondContact O-N 3.4Å; D115-D117 WeakPolarHBondContact OD1-CB 3.44Å; D115-D117 PolarHBondContact OD1-N 2.91Å; D117-F119 PolarHBondContact O-N 3.36Å; D117-F119 VanDerWaalsContact O-N 3.09Å; D117-G120 PolarHBondContact O-N 3.26Å; D117-V122 WeakPolarHBondContact OD1-CG2 3.47Å
118	R	80.4	Confident	86.4	Confident	176 Å²	176	76.2 Å²	76.2	66%	0.664	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-56.1	-28.4	172.8	-165	-179.5	88.5	139.6	4.2	113.5	D115 M116	D115-R118 WeakPolarHBondContact O-CB 3.27Å; D115-R118 PolarHBondContact O-N 3.32Å; M116-R118 PolarHBondContact O-N 3.02Å
119	F	81.9	Confident	86.5	Confident	83 Å²	83	76.5 Å²	76.5	36%	0.364	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-95.6	10.5	179.1	-60.5	-54.2	0	0	0	113.3	M116 D117 V121 Y224	M116-F119 PolarHBondContact O-N 3.34Å; D117-F119 PolarHBondContact O-N 3.36Å; D117-F119 VanDerWaalsContact O-N 3.09Å; F119-V121 VanDerWaalsContact C-N 3.3Å; F119-V121 HydrophobicContact CB-CG2 3.99Å; F119-Y224 HydrophobicContact CD2-CE2 4.15Å; F119-Y224 HydrophobicContact CE2-CD1 4.27Å; F119-Y224 AromaticContact CE2-CD2 3.76Å; F119-Y224 HydrophobicContact CE2-CD2 3.76Å; F119-Y224 AromaticContact CE2-CE1 3.8Å; F119-Y224 HydrophobicContact CE2-CE1 3.8Å; F119-Y224 AromaticContact CE2-CE2 3.21Å; F119-Y224 HydrophobicContact CE2-CE2 3.21Å; F119-Y224 HydrophobicContact CE2-CG 4.26Å; F119-Y224 AromaticContact CE2-CZ 3.22Å; F119-Y224 WeakPolarHBondContact CE2-OH 3.21Å; F119-Y224 HydrophobicContact CZ-CD1 4.37Å; F119-Y224 AromaticContact CZ-CE1 3.63Å; F119-Y224 HydrophobicContact CZ-CE1 3.63Å; F119-Y224 AromaticContact CZ-CE2 3.86Å; F119-Y224 HydrophobicContact CZ-CE2 3.86Å; F119-Y224 AromaticContact CZ-CZ 3.32Å; F119-Y224 VanDerWaalsContact CZ-OH 3.28Å; F119-Y224 WeakPolarHBondContact CZ-OH 3.44Å
120	G	84.1	Confident	86.9	Confident	23 Å²	23	75.8 Å²	75.8	24%	0.237	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	22.6	-176.4	0	0	0	0	0	113	S91 I92 D117	S91-G120 CarbonylContact C-O 3.49Å; I92-G120 PolarHBondContact N-O 3.03Å; D117-G120 PolarHBondContact O-N 3.26Å
121	V	86.7	Confident	87.2	Confident	22 Å²	22	75.7 Å²	75.7	13%	0.133	38%	0.381	C	S	.	.			trans	-99.4	106.9	-179.6	-164.1	0	0	0	0	110.3	I92 P94 M116 F119	I92-V121 HydrophobicContact CG2-CB 4.28Å; I92-V121 HydrophobicContact CG2-CG1 3.95Å; I92-V121 HydrophobicContact CG2-CG2 3.67Å; I92-V121 WeakPolarHBondContact O-CA 3.35Å; P94-V121 HydrophobicContact CG-CG1 3.49Å; P94-V121 VanDerWaalsContact CG-CG1 3.49Å; M116-V121 HydrophobicContact CB-CB 4.21Å; M116-V121 HydrophobicContact CE-CB 3.79Å; M116-V121 HydrophobicContact CE-CG1 3.33Å; M116-V121 VanDerWaalsContact CE-O 3.23Å; M116-V121 WeakPolarHBondContact CE-O 3.44Å; M116-V121 WeakPolarHBondContact O-CB 3.37Å; M116-V121 PolarHBondContact O-N 2.85Å; F119-V121 VanDerWaalsContact C-N 3.3Å; F119-V121 HydrophobicContact CB-CG2 3.99Å
122	V	88.7	Confident	87.2	Confident	64 Å²	64	74.2 Å²	74.2	39%	0.388	37%	0.369	S	S	.	.			trans	-117.1	127.9	-177.3	-174.5	0	0	0	0	110.4	P94 D117 R124	P94-V122 VanDerWaalsContact CD-O 3.28Å; P94-V122 WeakPolarHBondContact CD-O 3.38Å; D117-V122 WeakPolarHBondContact OD1-CG2 3.47Å; V122-R124 PolarHBondContact O-N 2.95Å
123	F	89.1	Confident	87.3	Confident	66 Å²	66	68.1 Å²	68.1	29%	0.289	33%	0.33	S	S	.	.			trans	-69.7	130.2	176.1	-76.8	-59.7	0	0	0	112.3	P94 M106 A110 M116 I134	P94-F123 HydrophobicContact CB-CD1 4.06Å; P94-F123 HydrophobicContact CB-CE1 3.97Å; P94-F123 HydrophobicContact CG-CD1 3.66Å; P94-F123 HydrophobicContact CG-CE1 3.67Å; P94-F123 HydrophobicContact CG-CG 4.5Å; P94-F123 WeakPolarHBondContact O-CA 3.38Å; M106-F123 HydrophobicContact CG-CE1 3.97Å; M106-F123 HydrophobicContact CG-CE2 4.26Å; M106-F123 HydrophobicContact CG-CZ 3.4Å; M106-F123 VanDerWaalsContact CG-CZ 3.4Å; M106-F123 HydrophobicContact SD-CD1 4.41Å; M106-F123 HydrophobicContact SD-CE1 3.4Å; M106-F123 WeakPolarHBondContact SD-CE1 3.23Å; M106-F123 HydrophobicContact SD-CZ 3.5Å; M106-F123 WeakPolarHBondContact SD-CZ 3.39Å; A110-F123 HydrophobicContact CB-CD2 4.41Å; A110-F123 HydrophobicContact CB-CE2 4.01Å; M116-F123 HydrophobicContact CE-CD1 4.23Å; M116-F123 HydrophobicContact CE-CD2 3.61Å; M116-F123 HydrophobicContact CE-CE1 3.89Å; M116-F123 HydrophobicContact CE-CE2 3.26Å; M116-F123 HydrophobicContact CE-CG 4.08Å; M116-F123 HydrophobicContact CE-CZ 3.36Å; M116-F123 HydrophobicContact SD-CD2 3.89Å; M116-F123 HydrophobicContact SD-CE2 3.12Å; M116-F123 WeakPolarHBondContact SD-CE2 3.38Å; M116-F123 HydrophobicContact SD-CZ 3.48Å; M116-F123 WeakPolarHBondContact SD-CZ 3.37Å; F123-I134 HydrophobicContact CE1-CD1 4.26Å
124	R	89.9	Confident	87.6	Confident	69 Å²	69	58.4 Å²	58.4	26%	0.26	29%	0.293	S	S	.	.			trans	-123.4	128	175.6	-145.4	-157.8	-178.4	106.2	13.5	112.6	P94 L95 V122 S126 Q129	P94-R124 PolarHBondContact O-N 2.72Å; L95-R124 WeakPolarHBondContact CA-O 3.47Å; V122-R124 PolarHBondContact O-N 2.95Å; R124-S126 VanDerWaalsContact CD-OG 3.3Å; R124-S126 WeakPolarHBondContact CD-OG 3.48Å; R124-S126 PolarHBondContact NE-OG 3.42Å; R124-Q129 VanDerWaalsContact CZ-CB 3.44Å; R124-Q129 VanDerWaalsContact NH1-CB 3.29Å
125	A	86.4	Confident	88	Confident	99 Å²	99	55.1 Å²	55.1	82%	0.818	28%	0.28	S	S	*	.	S	Bend	trans	-74.7	-26.3	179.2	0	0	0	0	0	113.6
126	S	89.8	Confident	88.3	Confident	43 Å²	43	51.8 Å²	51.8	30%	0.301	26%	0.263	S	S	.	.			trans	-93.5	126.9	-176.5	65.1	0	0	0	0	111.9	R124 R128	R124-S126 VanDerWaalsContact CD-OG 3.3Å; R124-S126 WeakPolarHBondContact CD-OG 3.48Å; R124-S126 PolarHBondContact NE-OG 3.42Å; S126-R128 VanDerWaalsContact C-N 3.3Å; S126-R128 PolarHBondContact O-N 3.4Å
127	P	90.2	Very high	88.6	Confident	21 Å²	21	51.7 Å²	51.7	14%	0.136	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-70.8	-21.8	-178.1	26.1	-34.1	0	0	0	114.9	L95 Q129 A130 I170 Q173 M174	L95-P127 VanDerWaalsContact CD1-CA 3.49Å; L95-P127 HydrophobicContact CD1-CB 3.77Å; L95-P127 HydrophobicContact CD1-CG 4.42Å; P127-Q129 PolarHBondContact O-N 2.76Å; P127-Q129 VanDerWaalsContact O-N 3.15Å; P127-A130 PolarHBondContact O-N 3.35Å; P127-I170 HydrophobicContact CB-CG2 3.85Å; P127-I170 HydrophobicContact CG-CG2 4.3Å; P127-Q173 HydrophobicContact CG-CB 4.41Å; P127-M174 HydrophobicContact CB-CG 4Å; P127-M174 WeakPolarHBondContact O-CA 3.47Å; P127-M174 WeakPolarHBondContact O-CG 3.31Å
128	R	90.3	Very high	88.7	Confident	168 Å²	168	48.3 Å²	48.3	63%	0.634	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-69.8	-12	-175.7	-65	-180	-176.9	-88.1	-0.2	114.4	S126	S126-R128 VanDerWaalsContact C-N 3.3Å; S126-R128 PolarHBondContact O-N 3.4Å
129	Q	91.3	Very high	89.1	Confident	100 Å²	100	40 Å²	40	47%	0.467	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-131.4	14.2	-178.1	-52.6	-175	39.6	0	0	110.9	R124 P127	R124-Q129 VanDerWaalsContact CZ-CB 3.44Å; R124-Q129 VanDerWaalsContact NH1-CB 3.29Å; P127-Q129 PolarHBondContact O-N 2.76Å; P127-Q129 VanDerWaalsContact O-N 3.15Å
130	A	90.8	Very high	89.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.			trans	-101.6	139.7	178	0	0	0	0	0	109.4	W93 L95 P127 M174	W93-A130 WeakPolarHBondContact O-CA 3.29Å; L95-A130 HydrophobicContact CB-CB 3.68Å; L95-A130 HydrophobicContact CD1-CB 4.44Å; P127-A130 PolarHBondContact O-N 3.35Å; A130-M174 HydrophobicContact CB-CE 4.21Å; A130-M174 VanDerWaalsContact O-CE 3.29Å; A130-M174 WeakPolarHBondContact O-CE 3.45Å
131	D	91.5	Very high	89.8	Confident	44 Å²	44	41.4 Å²	41.4	24%	0.235	22%	0.222	C	C	.	.	S	Bend	trans	-102.5	-24.4	-176	-57.3	-35.5	0	0	0	111.7	W93 K178 W179	W93-D131 PolarHBondContact O-N 2.9Å; D131-K178 CarbonylContact O-C 3.58Å; D131-K178 WeakPolarHBondContact O-CA 3.5Å; D131-W179 HydrophobicContact CB-CZ3 4.19Å; D131-W179 PolarHBondContact O-N 3.49Å
132	C	88.5	Confident	89.9	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.02	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	156	170.5	77.3	0	0	0	0	111.8	I92 W93 P94 L95 W179	I92-C132 HydrophobicContact CD1-CB 3.9Å; I92-C132 HydrophobicContact CG1-CB 4.05Å; W93-C132 PolarHBondContact O-N 2.98Å; P94-C132 CarbonylContact C-O 3.5Å; P94-C132 WeakPolarHBondContact CA-O 3.45Å; P94-C132 WeakPolarHBondContact CA-SG 3.41Å; P94-C132 WeakPolarHBondContact CB-SG 3.17Å; L95-C132 PolarHBondContact N-O 3.43Å; C132-W179 CarbonylContact C-O 3.51Å; C132-W179 VanDerWaalsContact CA-O 3.23Å; C132-W179 WeakPolarHBondContact CA-O 3.28Å; C132-W179 HydrophobicContact CB-CB 4.09Å
133	M	90.7	Very high	90	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.9	-179.9	-174.8	179.1	71.7	0	0	108.1	L95 F97 V135 L147 Y171 M174 W179 V180 I181 V207	L95-M133 HydrophobicContact CD2-CG 4.17Å; F97-M133 HydrophobicContact CD2-CG 3.57Å; F97-M133 HydrophobicContact CD2-SD 3.88Å; F97-M133 HydrophobicContact CE2-CG 3.68Å; F97-M133 HydrophobicContact CE2-SD 3.45Å; F97-M133 WeakPolarHBondContact CE2-SD 3.21Å; M133-V135 HydrophobicContact CE-CG2 3.9Å; M133-V135 HydrophobicContact CG-CG2 4.42Å; M133-L147 HydrophobicContact SD-CD2 4.29Å; M133-Y171 HydrophobicContact CE-CD2 3.75Å; M133-Y171 HydrophobicContact CE-CG 4.44Å; M133-Y171 HydrophobicContact SD-CD2 4.24Å; M133-M174 HydrophobicContact CB-CE 4.01Å; M133-M174 HydrophobicContact CB-SD 3.81Å; M133-M174 HydrophobicContact CG-SD 4.41Å; M133-M174 HydrophobicContact SD-SD 4.34Å; M133-W179 PolarHBondContact N-O 3.06Å; M133-V180 HydrophobicContact CE-CB 4.42Å; M133-V180 HydrophobicContact CE-CG1 3.74Å; M133-V180 HydrophobicContact CE-CG2 3.81Å; M133-V180 WeakPolarHBondContact O-CA 3.35Å; M133-I181 PolarHBondContact O-N 3.03Å; M133-V207 HydrophobicContact CE-CB 4.28Å; M133-V207 HydrophobicContact CE-CG1 4.08Å; M133-V207 HydrophobicContact CE-CG2 3.9Å
134	I	91.2	Very high	89.7	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	109	178.3	-52.3	-176.8	0	0	0	108.3	P94 L95 F97 M106 F123 A136 I181 M183 M223	P94-I134 HydrophobicContact CB-CD1 3.56Å; P94-I134 HydrophobicContact CB-CG1 3.81Å; P94-I134 HydrophobicContact CG-CD1 4.25Å; L95-I134 PolarHBondContact O-N 3.02Å; F97-I134 WeakPolarHBondContact CA-O 3.16Å; F97-I134 WeakPolarHBondContact CB-O 3.45Å; F97-I134 PolarHBondContact N-O 3.05Å; M106-I134 HydrophobicContact CE-CB 3.99Å; M106-I134 HydrophobicContact CE-CG2 3.5Å; M106-I134 VanDerWaalsContact CE-CG2 3.5Å; M106-I134 HydrophobicContact SD-CB 4.41Å; M106-I134 HydrophobicContact SD-CD1 4.48Å; M106-I134 HydrophobicContact SD-CG2 4.31Å; F123-I134 HydrophobicContact CE1-CD1 4.26Å; I134-A136 HydrophobicContact CG2-CB 4.45Å; I134-A136 PolarHBondContact O-N 3.46Å; I134-I181 WeakPolarHBondContact CA-O 3.27Å; I134-I181 HydrophobicContact CG1-CB 4.31Å; I134-I181 HydrophobicContact CG1-CD1 4.34Å; I134-I181 HydrophobicContact CG2-CB 4.5Å; I134-M183 HydrophobicContact CG2-CB 4.18Å; I134-M183 HydrophobicContact CG2-SD 4.47Å; I134-M223 HydrophobicContact CD1-CE 3.89Å
135	V	90.3	Very high	89.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	101	173.9	-175.4	0	0	0	0	108.6	L99 M133 V139 L147 V180 I181 M183 A187 V203	L99-V135 HydrophobicContact CD1-CG1 4.16Å; M133-V135 HydrophobicContact CE-CG2 3.9Å; M133-V135 HydrophobicContact CG-CG2 4.42Å; V135-V139 HydrophobicContact CG1-CG2 3.83Å; V135-L147 HydrophobicContact CG2-CD2 4.32Å; V135-V180 HydrophobicContact CG2-CG1 4.47Å; V135-I181 PolarHBondContact N-O 3Å; V135-M183 PolarHBondContact O-N 2.93Å; V135-A187 HydrophobicContact CG1-CB 4.33Å; V135-A187 WeakPolarHBondContact O-CB 3.29Å; V135-V203 HydrophobicContact CG1-CG2 4.08Å; V135-V203 HydrophobicContact CG2-CG2 4.29Å
136	A	90.5	Very high	89.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	93	-176.5	0	0	0	0	0	111.6	F97 L99 A100 C102 M106 I134 M183	F97-A136 PolarHBondContact O-N 3.43Å; L99-A136 PolarHBondContact N-O 3.45Å; A100-A136 PolarHBondContact N-O 2.95Å; C102-A136 HydrophobicContact CB-CB 3.79Å; M106-A136 HydrophobicContact CE-CB 3.07Å; I134-A136 HydrophobicContact CG2-CB 4.45Å; I134-A136 PolarHBondContact O-N 3.46Å; A136-M183 HydrophobicContact CB-CB 4.07Å; A136-M183 HydrophobicContact CB-CG 4.43Å; A136-M183 HydrophobicContact CB-SD 3.95Å
137	G	90.8	Very high	88.8	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.01	20%	0.203	C	C	.	.	S	Bend	trans	136.7	-166.5	172.8	0	0	0	0	0	113.7	A187	G137-A187 WeakPolarHBondContact O-CA 3.41Å; G137-A187 WeakPolarHBondContact O-CB 3.34Å; G137-A187 PolarHBondContact O-N 3.36Å
138	T	90.1	Very high	87.9	Confident	27 Å²	27	42.5 Å²	42.5	17%	0.166	21%	0.208	C	C	.	.			trans	-78.6	132.4	-179.9	-171.9	0	0	0	0	111.1	L99 A100 V199	L99-T138 WeakPolarHBondContact CD1-O 3.28Å; A100-T138 HydrophobicContact CB-CG2 4.17Å; T138-V199 VanDerWaalsContact OG1-CG1 3.26Å; T138-V199 WeakPolarHBondContact OG1-CG1 2.82Å
139	V	89.3	Confident	86.3	Confident	1 Å²	1	40 Å²	40	1%	0.006	20%	0.199	C	C	.	.			trans	-97.2	111.4	175.4	-178.6	0	0	0	0	108.5	L99 V135 L147 V200 V203 I206	L99-V139 HydrophobicContact CD1-CG2 3.83Å; V135-V139 HydrophobicContact CG1-CG2 3.83Å; V139-L147 HydrophobicContact CG1-CD1 3.79Å; V139-L147 HydrophobicContact CG2-CD1 4Å; V139-V200 HydrophobicContact CB-CB 4.47Å; V139-V200 HydrophobicContact CG1-CB 4.38Å; V139-V200 HydrophobicContact CG1-CG2 4.16Å; V139-V200 PolarHBondContact O-N 3.09Å; V139-V203 HydrophobicContact CG2-CB 4.3Å; V139-V203 HydrophobicContact CG2-CG2 3.91Å; V139-I206 HydrophobicContact CG1-CD1 3.7Å
140	T	90.9	Very high	84.4	Confident	53 Å²	53	39.5 Å²	39.5	33%	0.325	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-81	154.8	176.7	63.3	0	0	0	0	111	K142 M143 A144 S198	T140-K142 PolarHBondContact O-N 3.23Å; T140-K142 VanDerWaalsContact O-N 3.16Å; T140-M143 PolarHBondContact O-N 3.13Å; T140-M143 WeakPolarHBondContact OG1-CB 3.26Å; T140-M143 PolarHBondContact OG1-N 2.72Å; T140-A144 PolarHBondContact O-N 3.46Å; T140-S198 CarbonylContact C-O 3.43Å; T140-S198 WeakPolarHBondContact CA-O 3.01Å; T140-S198 WeakPolarHBondContact CB-O 3.44Å
141	N	88.4	Confident	82	Confident	84 Å²	84	48.5 Å²	48.5	45%	0.449	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.4	176.7	-71.8	-20.7	0	0	0	112.3	A144 P145 Y197 S198 V200	N141-A144 WeakPolarHBondContact O-CB 3.31Å; N141-P145 WeakPolarHBondContact O-CD 3.5Å; N141-Y197 PolarHBondContact ND2-O 3.11Å; N141-S198 PolarHBondContact N-O 3.03Å; N141-V200 VanDerWaalsContact OD1-CG2 3.29Å; N141-V200 WeakPolarHBondContact OD1-CG2 3.29Å
142	K	89.6	Confident	79.7	Confident	190 Å²	190	49.6 Å²	49.6	83%	0.826	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-32.5	175.8	-171.3	173.9	-178.6	179.2	0	112.6	T140 P145	T140-K142 PolarHBondContact O-N 3.23Å; T140-K142 VanDerWaalsContact O-N 3.16Å; K142-P145 VanDerWaalsContact O-CD 3.31Å; K142-P145 WeakPolarHBondContact O-CD 3.05Å; K142-P145 VanDerWaalsContact O-CG 3.29Å; K142-P145 WeakPolarHBondContact O-CG 3.19Å
143	M	89.8	Confident	77.4	Confident	50 Å²	50	59 Å²	59	25%	0.246	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-24.9	176.9	-170.8	60.6	-175	0	0	112.6	F97 L99 T140 A146 L147	F97-M143 HydrophobicContact CD1-CE 4.22Å; F97-M143 HydrophobicContact CE1-CE 3.94Å; L99-M143 HydrophobicContact CD2-CE 4.04Å; L99-M143 HydrophobicContact CD2-CG 4.21Å; T140-M143 PolarHBondContact O-N 3.13Å; T140-M143 WeakPolarHBondContact OG1-CB 3.26Å; T140-M143 PolarHBondContact OG1-N 2.72Å; M143-A146 HydrophobicContact CE-CB 3.88Å; M143-A146 WeakPolarHBondContact O-CB 3.07Å; M143-A146 PolarHBondContact O-N 3.04Å; M143-A146 HydrophobicContact SD-CB 3.74Å; M143-L147 PolarHBondContact O-N 3.4Å
144	A	84.6	Confident	75.6	Confident	11 Å²	11	68 Å²	68	9%	0.091	33%	0.33	C	S	.	.	H	α-helix	trans	-46.3	-48.4	178.1	0	0	0	0	0	114.6	T140 N141 A146 L147 R148 V200 I206	T140-A144 PolarHBondContact O-N 3.46Å; N141-A144 WeakPolarHBondContact O-CB 3.31Å; A144-A146 VanDerWaalsContact C-N 3.33Å; A144-A146 PolarHBondContact O-N 3.35Å; A144-L147 PolarHBondContact O-N 3.39Å; A144-R148 PolarHBondContact O-N 3.23Å; A144-R148 VanDerWaalsContact O-O 3.11Å; A144-V200 HydrophobicContact CB-CG2 4.01Å; A144-I206 HydrophobicContact CB-CD1 3.66Å; A144-I206 HydrophobicContact CB-CG1 4.35Å
145	P	81.5	Confident	73.6	Confident	64 Å²	64	71.5 Å²	71.5	42%	0.416	35%	0.348	S	S	.	.	H	α-helix	trans	-59.7	-40.3	175.5	22.8	-34.2	0	0	0	112.3	N141 K142 L147 R148 A168	N141-P145 WeakPolarHBondContact O-CD 3.5Å; K142-P145 VanDerWaalsContact O-CD 3.31Å; K142-P145 WeakPolarHBondContact O-CD 3.05Å; K142-P145 VanDerWaalsContact O-CG 3.29Å; K142-P145 WeakPolarHBondContact O-CG 3.19Å; P145-L147 VanDerWaalsContact C-N 3.28Å; P145-L147 PolarHBondContact O-N 2.98Å; P145-R148 CarbonylContact O-C 3.51Å; P145-R148 PolarHBondContact O-N 2.87Å; P145-A168 CarbonylContact O-C 3.45Å; P145-A168 WeakPolarHBondContact O-CA 3.39Å; P145-A168 WeakPolarHBondContact O-CB 3.48Å
146	A	84.2	Confident	71.8	Confident	25 Å²	25	74.9 Å²	74.9	21%	0.207	37%	0.372	C	S	.	.	H	α-helix	trans	-60.4	-34.9	-178.6	0	0	0	0	0	113.4	M143 A144 A168	M143-A146 HydrophobicContact CE-CB 3.88Å; M143-A146 WeakPolarHBondContact O-CB 3.07Å; M143-A146 PolarHBondContact O-N 3.04Å; M143-A146 HydrophobicContact SD-CB 3.74Å; A144-A146 VanDerWaalsContact C-N 3.33Å; A144-A146 PolarHBondContact O-N 3.35Å; A146-A168 CarbonylContact O-C 3.51Å
147	L	80.3	Confident	70.1	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-73	-53.2	176.4	-78.7	168.9	0	0	0	112.2	F97 M133 V135 V139 M143 A144 P145 Y171 V203 I206	F97-L147 HydrophobicContact CD1-CD2 4.2Å; F97-L147 HydrophobicContact CD2-CD2 3.94Å; F97-L147 HydrophobicContact CE1-CD2 3.94Å; F97-L147 HydrophobicContact CE2-CD2 3.65Å; F97-L147 HydrophobicContact CG-CD2 4.16Å; F97-L147 HydrophobicContact CZ-CD2 3.6Å; M133-L147 HydrophobicContact SD-CD2 4.29Å; V135-L147 HydrophobicContact CG2-CD2 4.32Å; V139-L147 HydrophobicContact CG1-CD1 3.79Å; V139-L147 HydrophobicContact CG2-CD1 4Å; M143-L147 PolarHBondContact O-N 3.4Å; A144-L147 PolarHBondContact O-N 3.39Å; P145-L147 VanDerWaalsContact C-N 3.28Å; P145-L147 PolarHBondContact O-N 2.98Å; L147-Y171 PolarHBondContact O-N 2.93Å; L147-V203 HydrophobicContact CD1-CG2 4.04Å; L147-I206 HydrophobicContact CB-CG2 4.02Å
148	R	71.5	Confident	68.2	Low	66 Å²	66	88.8 Å²	88.8	25%	0.249	44%	0.441	C	S	.	.			trans	-162.3	138.5	173.7	-158.6	173.3	-167.9	-178.6	5.8	110.9	A144 P145 V150 D172 I206 V207 P208	A144-R148 PolarHBondContact O-N 3.23Å; A144-R148 VanDerWaalsContact O-O 3.11Å; P145-R148 CarbonylContact O-C 3.51Å; P145-R148 PolarHBondContact O-N 2.87Å; R148-V150 PolarHBondContact O-N 3.06Å; R148-D172 IonicContact CZ-OD1 3.58Å; R148-D172 IonicContact NE-OD1 2.92Å; R148-D172 PolarHBondContact NE-OD1 3.05Å; R148-D172 IonicContact NE-OD2 3.32Å; R148-D172 IonicContact NH2-OD1 2.75Å; R148-D172 PolarHBondContact NH2-OD1 2.81Å; R148-I206 HydrophobicContact CB-CG2 3.56Å; R148-I206 VanDerWaalsContact CD-O 3.26Å; R148-I206 WeakPolarHBondContact CD-O 3.35Å; R148-I206 WeakPolarHBondContact O-CG2 3.4Å; R148-V207 HydrophobicContact CB-CG1 3.83Å; R148-P208 VanDerWaalsContact NH1-CD 3.35Å
149	R	55.8	Low	66.4	Low	116 Å²	116	92.9 Å²	92.9	44%	0.438	46%	0.461	S	S	.	.			trans	-65.1	108.2	170.3	179.2	166.3	-96.4	145.5	-5.7	110.1	R151 N163 A168	R149-R151 PolarHBondContact O-N 3.43Å; R149-N163 VanDerWaalsContact CZ-O 3.32Å; R149-N163 PolarHBondContact NH1-O 3.42Å; R149-N163 PolarHBondContact NH2-O 3.31Å; R149-A168 HydrophobicContact CB-CB 4.19Å
150	V	52.5	Low	64.6	Low	89 Å²	89	96.2 Å²	96.2	54%	0.539	48%	0.476	S	S	.	.			trans	-62.5	101.9	170	-178.6	0	0	0	0	108	R148 S152 I206	R148-V150 PolarHBondContact O-N 3.06Å; V150-S152 PolarHBondContact O-N 2.93Å; V150-S152 VanDerWaalsContact O-N 3.09Å; V150-I206 HydrophobicContact CG2-CG1 4.12Å
151	R	41.2	Very low	62.7	Low	189 Å²	189	96 Å²	96	71%	0.713	48%	0.48	S	S	*	.			trans	-70.8	103.3	171.1	-73.2	-171.5	-145.9	156.5	6.4	108.1	R149 K153	R149-R151 PolarHBondContact O-N 3.43Å; R151-K153 PolarHBondContact O-N 2.88Å
152	S	42.8	Very low	60.6	Low	67 Å²	67	101.3 Å²	101.3	47%	0.469	50%	0.499	S	S	.	.			trans	-60.8	105	162.8	-117.2	0	0	0	0	108.3	V150 H154 L155 Q160	V150-S152 PolarHBondContact O-N 2.93Å; V150-S152 VanDerWaalsContact O-N 3.09Å; S152-H154 PolarHBondContact O-N 3.14Å; S152-L155 PolarHBondContact O-N 2.82Å; S152-Q160 PolarHBondContact O-NE2 2.97Å
153	K	40.5	Very low	58.3	Low	201 Å²	201	98.1 Å²	98.1	87%	0.874	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-7.8	-176.5	-70.3	-176.5	179.1	177.9	0	114.2	R151	R151-K153 PolarHBondContact O-N 2.88Å
154	H	51.7	Low	55.9	Low	188 Å²	188	101.8 Å²	101.8	87%	0.87	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	2.4	-177.8	-91.7	56.9	0	0	0	115.2	S152	S152-H154 PolarHBondContact O-N 3.14Å
155	L	48.9	Very low	53.6	Low	80 Å²	80	109.6 Å²	109.6	42%	0.419	54%	0.543	S	S	.	.	S	Bend	trans	-85.2	129.5	171	-108.8	85.3	0	0	0	110.2	S152 K157 I159 Q160	S152-L155 PolarHBondContact O-N 2.82Å; L155-K157 PolarHBondContact O-N 3.23Å; L155-I159 HydrophobicContact CD2-CB 3.83Å; L155-I159 HydrophobicContact CD2-CG2 3.42Å; L155-I159 VanDerWaalsContact CD2-CG2 3.42Å; L155-Q160 HydrophobicContact CB-CG 3.92Å; L155-Q160 PolarHBondContact O-NE2 2.85Å
156	S	53.6	Low	51.4	Low	71 Å²	71	112.3 Å²	112.3	50%	0.497	55%	0.554	S	S	.	*			trans	-47.2	136.7	170	177.5	0	0	0	0	110.7	T158 I159 Q160	S156-T158 PolarHBondContact O-N 3.37Å; S156-T158 PolarHBondContact OG-OG1 2.86Å; S156-I159 PolarHBondContact O-N 2.96Å; S156-Q160 PolarHBondContact O-N 2.9Å
157	K	54.2	Low	49	Very low	187 Å²	187	117.1 Å²	117.1	81%	0.813	58%	0.576	S	S	*	*	H	α-helix	trans	-51.9	-23.4	-178.4	-72.5	178.7	179.4	172.2	0	113	L155 A161	L155-K157 PolarHBondContact O-N 3.23Å; K157-A161 PolarHBondContact O-N 3.09Å
158	T	51.3	Low	47.7	Very low	105 Å²	105	117.7 Å²	117.7	64%	0.644	58%	0.581	S	S	*	*	H	α-helix	trans	-74.7	-35.8	177.7	40.3	0	0	0	0	114.4	S156 A161	S156-T158 PolarHBondContact O-N 3.37Å; S156-T158 PolarHBondContact OG-OG1 2.86Å; T158-A161 PolarHBondContact O-N 3.46Å
159	I	53	Low	47.5	Very low	114 Å²	114	119.1 Å²	119.1	59%	0.585	59%	0.591	S	S	*	*	H	α-helix	trans	-77.8	-30.5	177.1	-59.6	172.7	0	0	0	110.7	L155 S156 A161 F162	L155-I159 HydrophobicContact CD2-CB 3.83Å; L155-I159 HydrophobicContact CD2-CG2 3.42Å; L155-I159 VanDerWaalsContact CD2-CG2 3.42Å; S156-I159 PolarHBondContact O-N 2.96Å; I159-A161 PolarHBondContact O-N 3.37Å; I159-F162 PolarHBondContact O-N 2.75Å
160	Q	50.9	Low	49	Very low	71 Å²	71	115.8 Å²	115.8	33%	0.332	58%	0.581	S	S	.	*	H	α-helix	trans	-68.3	-23.1	175.1	-67	-174.4	-0.9	0	0	113.2	S152 L155 S156	S152-Q160 PolarHBondContact O-NE2 2.97Å; L155-Q160 HydrophobicContact CB-CG 3.92Å; L155-Q160 PolarHBondContact O-NE2 2.85Å; S156-Q160 PolarHBondContact O-N 2.9Å
161	A	50.2	Low	50.7	Low	48 Å²	48	112.4 Å²	112.4	40%	0.397	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-81.4	-15.6	180	0	0	0	0	0	114	K157 T158 I159 N163 L164	K157-A161 PolarHBondContact O-N 3.09Å; T158-A161 PolarHBondContact O-N 3.46Å; I159-A161 PolarHBondContact O-N 3.37Å; A161-N163 VanDerWaalsContact C-N 3.25Å; A161-N163 PolarHBondContact O-N 3.24Å; A161-L164 HydrophobicContact CB-CD1 3.9Å; A161-L164 WeakPolarHBondContact O-CB 3.24Å; A161-L164 PolarHBondContact O-N 2.76Å
162	F	45.2	Very low	52.8	Low	196 Å²	196	106.9 Å²	106.9	86%	0.86	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-79.4	-7.1	-177.3	-149	-99.7	0	0	0	114	I159	I159-F162 PolarHBondContact O-N 2.75Å
163	N	41.8	Very low	55	Low	123 Å²	123	106.2 Å²	106.2	66%	0.658	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-115.9	29.9	168.8	-108.2	-35.1	0	0	0	111.8	R149 A161 K165	R149-N163 VanDerWaalsContact CZ-O 3.32Å; R149-N163 PolarHBondContact NH1-O 3.42Å; R149-N163 PolarHBondContact NH2-O 3.31Å; A161-N163 VanDerWaalsContact C-N 3.25Å; A161-N163 PolarHBondContact O-N 3.24Å; N163-K165 PolarHBondContact O-N 3.09Å; N163-K165 VanDerWaalsContact O-N 3.11Å
164	L	38.6	Very low	57.3	Low	127 Å²	127	96.9 Å²	96.9	67%	0.665	49%	0.492	S	S	*	.			trans	-75.6	88.1	164.4	-103.1	140.4	0	0	0	109.1	A161	A161-L164 HydrophobicContact CB-CD1 3.9Å; A161-L164 WeakPolarHBondContact O-CB 3.24Å; A161-L164 PolarHBondContact O-N 2.76Å
165	K	36.4	Very low	59.2	Low	175 Å²	175	90.4 Å²	90.4	76%	0.761	47%	0.467	S	S	*	.	S	Bend	trans	-177.1	124	137.5	-102.8	160.7	-177.9	-177.9	0	109.3	N163	N163-K165 PolarHBondContact O-N 3.09Å; N163-K165 VanDerWaalsContact O-N 3.11Å
166	N	34.3	Very low	61	Low	121 Å²	121	94.2 Å²	94.2	65%	0.647	48%	0.482	S	S	*	.	S	Bend	trans	83.7	118.9	154.8	-46.2	-20.9	0	0	0	116.4
167	D	35.5	Very low	62.7	Low	125 Å²	125	92.9 Å²	92.9	67%	0.668	47%	0.472	S	S	*	.			trans	87.2	40.2	139.9	-43.2	-23.4	0	0	0	120.3
168	A	50.9	Low	64.3	Low	13 Å²	13	85.3 Å²	85.3	11%	0.107	44%	0.439	C	S	.	.			trans	-118	30.8	169.9	0	0	0	0	0	112.8	P145 A146 R149	P145-A168 CarbonylContact O-C 3.45Å; P145-A168 WeakPolarHBondContact O-CA 3.39Å; P145-A168 WeakPolarHBondContact O-CB 3.48Å; A146-A168 CarbonylContact O-C 3.51Å; R149-A168 HydrophobicContact CB-CB 4.19Å
169	Q	68.8	Low	66.1	Low	96 Å²	96	84.5 Å²	84.5	45%	0.449	42%	0.424	S	S	.	.			trans	-116.2	2.4	-142.3	-126.1	176.3	5.1	0	0	113.5	Y171 D172 Q173	Q169-Y171 PolarHBondContact O-N 3Å; Q169-D172 CarbonylContact O-C 3.51Å; Q169-D172 PolarHBondContact O-N 3.22Å; Q169-Q173 HydrophobicContact CB-CG 3.89Å; Q169-Q173 HydrophobicContact CG-CG 4.02Å; Q169-Q173 WeakPolarHBondContact O-CB 3.18Å; Q169-Q173 WeakPolarHBondContact O-CG 3.35Å; Q169-Q173 PolarHBondContact O-N 3.39Å
170	I	86.7	Confident	67.7	Low	45 Å²	45	79 Å²	79	23%	0.231	40%	0.396	C	S	.	.	H	α-helix	trans	-64.6	-50.5	-166.4	-67.9	168.7	0	0	0	111.1	L95 F97 P127 D172 Q173 M174	L95-I170 HydrophobicContact CD2-CG2 3.96Å; F97-I170 HydrophobicContact CE1-CD1 3.68Å; F97-I170 HydrophobicContact CE2-CB 4.29Å; F97-I170 HydrophobicContact CE2-CG2 3.47Å; F97-I170 VanDerWaalsContact CE2-CG2 3.47Å; F97-I170 HydrophobicContact CZ-CB 3.75Å; F97-I170 HydrophobicContact CZ-CD1 3.34Å; F97-I170 HydrophobicContact CZ-CG1 4.08Å; F97-I170 HydrophobicContact CZ-CG2 3.34Å; P127-I170 HydrophobicContact CB-CG2 3.85Å; P127-I170 HydrophobicContact CG-CG2 4.3Å; I170-D172 VanDerWaalsContact C-N 3.33Å; I170-D172 PolarHBondContact O-N 3.43Å; I170-Q173 PolarHBondContact O-N 2.75Å; I170-M174 WeakPolarHBondContact O-CG 3.29Å; I170-M174 PolarHBondContact O-N 2.75Å
171	Y	87.5	Confident	69.4	Low	18 Å²	18	76.9 Å²	76.9	7%	0.071	39%	0.387	C	S	.	.	H	α-helix	trans	-63.9	-38.2	177.1	-179	-99	0	0	0	112.7	M133 L147 Q169 K178 V180 V207 P208	M133-Y171 HydrophobicContact CE-CD2 3.75Å; M133-Y171 HydrophobicContact CE-CG 4.44Å; M133-Y171 HydrophobicContact SD-CD2 4.24Å; L147-Y171 PolarHBondContact O-N 2.93Å; Q169-Y171 PolarHBondContact O-N 3Å; Y171-K178 HydrophobicContact CD2-CD 4.43Å; Y171-K178 HydrophobicContact CE2-CD 3.9Å; Y171-K178 HydrophobicContact CE2-CG 4.23Å; Y171-K178 PolarHBondContact O-NZ 3.31Å; Y171-V180 HydrophobicContact CD2-CG2 3.79Å; Y171-V180 HydrophobicContact CE2-CG2 3.29Å; Y171-V207 HydrophobicContact CD1-CG1 4.09Å; Y171-V207 HydrophobicContact CD2-CB 4.42Å; Y171-V207 HydrophobicContact CD2-CG1 4.05Å; Y171-V207 HydrophobicContact CG-CB 4.42Å; Y171-V207 HydrophobicContact CG-CG1 3.67Å; Y171-P208 HydrophobicContact CE1-CG 4.25Å; Y171-P208 WeakPolarHBondContact OH-CG 3.42Å
172	D	86.6	Confident	71	Confident	73 Å²	73	74.6 Å²	74.6	39%	0.39	37%	0.368	S	S	.	.	H	α-helix	trans	-76.5	-23.2	-178.9	-71.8	-27.5	0	0	0	112.5	R148 Q169 I170	R148-D172 IonicContact CZ-OD1 3.58Å; R148-D172 IonicContact NE-OD1 2.92Å; R148-D172 PolarHBondContact NE-OD1 3.05Å; R148-D172 IonicContact NE-OD2 3.32Å; R148-D172 IonicContact NH2-OD1 2.75Å; R148-D172 PolarHBondContact NH2-OD1 2.81Å; Q169-D172 CarbonylContact O-C 3.51Å; Q169-D172 PolarHBondContact O-N 3.22Å; I170-D172 VanDerWaalsContact C-N 3.33Å; I170-D172 PolarHBondContact O-N 3.43Å
173	Q	87.4	Confident	72.9	Confident	53 Å²	53	65.3 Å²	65.3	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-78.9	-17.6	175.6	-78.7	177.9	1.9	0	0	113.4	P127 Q169 I170	P127-Q173 HydrophobicContact CG-CB 4.41Å; Q169-Q173 HydrophobicContact CB-CG 3.89Å; Q169-Q173 HydrophobicContact CG-CG 4.02Å; Q169-Q173 WeakPolarHBondContact O-CB 3.18Å; Q169-Q173 WeakPolarHBondContact O-CG 3.35Å; Q169-Q173 PolarHBondContact O-N 3.39Å; I170-Q173 PolarHBondContact O-N 2.75Å
174	M	89.9	Confident	74.8	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.03	30%	0.296	C	S	.	.	S	Bend	trans	-69.4	134.9	176	-70.3	172.7	75.9	0	0	111.4	P127 A130 M133 I170 K178	P127-M174 HydrophobicContact CB-CG 4Å; P127-M174 WeakPolarHBondContact O-CA 3.47Å; P127-M174 WeakPolarHBondContact O-CG 3.31Å; A130-M174 HydrophobicContact CB-CE 4.21Å; A130-M174 VanDerWaalsContact O-CE 3.29Å; A130-M174 WeakPolarHBondContact O-CE 3.45Å; M133-M174 HydrophobicContact CB-CE 4.01Å; M133-M174 HydrophobicContact CB-SD 3.81Å; M133-M174 HydrophobicContact CG-SD 4.41Å; M133-M174 HydrophobicContact SD-SD 4.34Å; I170-M174 WeakPolarHBondContact O-CG 3.29Å; I170-M174 PolarHBondContact O-N 2.75Å; M174-K178 HydrophobicContact CB-CB 4.42Å; M174-K178 HydrophobicContact CB-CD 3.67Å; M174-K178 HydrophobicContact CE-CB 4.15Å; M174-K178 PolarHBondContact O-NZ 3.1Å
175	P	90.5	Very high	76.8	Confident	52 Å²	52	54.4 Å²	54.4	34%	0.338	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-62.4	161.2	175.1	28	-33.9	0	0	0	111.6	K178	P175-K178 WeakPolarHBondContact O-CB 3.49Å
176	H	87.5	Confident	79.2	Confident	159 Å²	159	46.6 Å²	46.6	74%	0.736	24%	0.239	S	C	*	.	S	Bend	trans	-89.4	142.7	165.8	-107.4	60.8	0	0	0	108.9
177	P	88.8	Confident	81.6	Confident	44 Å²	44	40.9 Å²	40.9	29%	0.286	21%	0.208	S	C	.	.	S	Bend	cis	-76.6	143.7	-0.8	32.4	-35.1	0	0	0	112.4	W179	P177-W179 HydrophobicContact CB-CH2 3.92Å; P177-W179 HydrophobicContact CB-CZ2 4.06Å; P177-W179 HydrophobicContact CG-CH2 3.88Å; P177-W179 HydrophobicContact CG-CZ2 4.46Å; P177-W179 HydrophobicContact CG-CZ3 4.41Å
178	K	88.6	Confident	83.8	Confident	28 Å²	28	36.3 Å²	36.3	12%	0.122	18%	0.183	C	C	.	.			trans	-135.5	145.8	175.8	60.1	-171.8	166.7	-156.9	0	112.9	D131 Y171 M174 P175	D131-K178 CarbonylContact O-C 3.58Å; D131-K178 WeakPolarHBondContact O-CA 3.5Å; Y171-K178 HydrophobicContact CD2-CD 4.43Å; Y171-K178 HydrophobicContact CE2-CD 3.9Å; Y171-K178 HydrophobicContact CE2-CG 4.23Å; Y171-K178 PolarHBondContact O-NZ 3.31Å; M174-K178 HydrophobicContact CB-CB 4.42Å; M174-K178 HydrophobicContact CB-CD 3.67Å; M174-K178 HydrophobicContact CE-CB 4.15Å; M174-K178 PolarHBondContact O-NZ 3.1Å; P175-K178 WeakPolarHBondContact O-CB 3.49Å
179	W	88.2	Confident	85.2	Confident	87 Å²	87	36.9 Å²	36.9	33%	0.33	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	152.5	178.2	-58	-80.6	0	0	0	112.3	R88 I92 D131 C132 M133 P177 D210	R88-W179 HydrophobicContact CB-CH2 4.31Å; I92-W179 HydrophobicContact CD1-CE3 4.3Å; D131-W179 HydrophobicContact CB-CZ3 4.19Å; D131-W179 PolarHBondContact O-N 3.49Å; C132-W179 CarbonylContact C-O 3.51Å; C132-W179 VanDerWaalsContact CA-O 3.23Å; C132-W179 WeakPolarHBondContact CA-O 3.28Å; C132-W179 HydrophobicContact CB-CB 4.09Å; M133-W179 PolarHBondContact N-O 3.06Å; P177-W179 HydrophobicContact CB-CH2 3.92Å; P177-W179 HydrophobicContact CB-CZ2 4.06Å; P177-W179 HydrophobicContact CG-CH2 3.88Å; P177-W179 HydrophobicContact CG-CZ2 4.46Å; P177-W179 HydrophobicContact CG-CZ3 4.41Å; W179-D210 WeakPolarHBondContact CA-OD2 3.32Å
180	V	86.6	Confident	85.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.4	175.8	-175.6	0	0	0	0	110.4	M133 V135 Y171 V207 P208 V209 D210 I211	M133-V180 HydrophobicContact CE-CB 4.42Å; M133-V180 HydrophobicContact CE-CG1 3.74Å; M133-V180 HydrophobicContact CE-CG2 3.81Å; M133-V180 WeakPolarHBondContact O-CA 3.35Å; V135-V180 HydrophobicContact CG2-CG1 4.47Å; Y171-V180 HydrophobicContact CD2-CG2 3.79Å; Y171-V180 HydrophobicContact CE2-CG2 3.29Å; V180-V207 HydrophobicContact CG1-CG2 4.04Å; V180-P208 VanDerWaalsContact CB-O 3.29Å; V180-P208 WeakPolarHBondContact CB-O 2.91Å; V180-P208 VanDerWaalsContact CG2-O 3.27Å; V180-P208 WeakPolarHBondContact CG2-O 2.83Å; V180-V209 HydrophobicContact CG1-CG2 4.28Å; V180-D210 PolarHBondContact N-OD2 3.02Å; V180-D210 PolarHBondContact O-N 3.26Å; V180-I211 PolarHBondContact O-N 2.59Å
181	I	87.5	Confident	85.6	Confident	26 Å²	26	31.4 Å²	31.4	13%	0.133	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121	174.9	-57	178.6	0	0	0	107.6	M133 I134 V135 I211 I213	M133-I181 PolarHBondContact O-N 3.03Å; I134-I181 WeakPolarHBondContact CA-O 3.27Å; I134-I181 HydrophobicContact CG1-CB 4.31Å; I134-I181 HydrophobicContact CG1-CD1 4.34Å; I134-I181 HydrophobicContact CG2-CB 4.5Å; V135-I181 PolarHBondContact N-O 3Å; I181-I211 WeakPolarHBondContact CA-O 3.34Å; I181-I211 HydrophobicContact CG1-CB 4.42Å; I181-I213 HydrophobicContact CG2-CD1 3.41Å; I181-I213 VanDerWaalsContact CG2-CD1 3.41Å; I181-I213 HydrophobicContact CG2-CG1 3.8Å
182	S	83.7	Confident	85.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.7	172.5	-178.2	0	0	0	0	108.9	A187 N188 I211 I213	S182-A187 WeakPolarHBondContact OG-CB 3.49Å; S182-A187 PolarHBondContact OG-O 2.78Å; S182-N188 VanDerWaalsContact CB-OD1 3.23Å; S182-N188 WeakPolarHBondContact CB-OD1 3.39Å; S182-N188 PolarHBondContact O-OD1 2.83Å; S182-N188 VanDerWaalsContact O-OD1 3.14Å; S182-N188 PolarHBondContact OG-N 3.02Å; S182-N188 PolarHBondContact OG-OD1 2.76Å; S182-I211 PolarHBondContact N-O 3.03Å; S182-I213 PolarHBondContact O-N 3.31Å
183	M	84.1	Confident	85.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.9	-176.1	-172.8	-174.4	-178.9	0	0	110.7	C102 E105 M106 I134 V135 A136 T218 M223	C102-M183 HydrophobicContact CB-CG 4.33Å; C102-M183 HydrophobicContact CB-SD 4.44Å; E105-M183 HydrophobicContact CB-CE 3.78Å; M106-M183 HydrophobicContact CB-SD 4.3Å; M106-M183 HydrophobicContact CE-SD 4.41Å; I134-M183 HydrophobicContact CG2-CB 4.18Å; I134-M183 HydrophobicContact CG2-SD 4.47Å; V135-M183 PolarHBondContact O-N 2.93Å; A136-M183 HydrophobicContact CB-CB 4.07Å; A136-M183 HydrophobicContact CB-CG 4.43Å; A136-M183 HydrophobicContact CB-SD 3.95Å; M183-T218 HydrophobicContact CE-CG2 4.24Å; M183-M223 HydrophobicContact CE-SD 3.77Å; M183-M223 HydrophobicContact SD-CE 4.39Å; M183-M223 HydrophobicContact SD-SD 3.92Å
184	G	82.7	Confident	85.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	95.1	154.2	175.2	0	0	0	0	0	114.1	C186 A187 N188 I213 G215	G184-C186 PolarHBondContact O-N 2.79Å; G184-C186 VanDerWaalsContact O-N 3.1Å; G184-A187 PolarHBondContact O-N 3.08Å; G184-N188 VanDerWaalsContact O-CG 3.22Å; G184-N188 PolarHBondContact O-N 3.16Å; G184-N188 PolarHBondContact O-OD1 2.73Å; G184-I213 PolarHBondContact N-O 3.14Å; G184-G215 CarbonylContact C-O 3.47Å; G184-G215 WeakPolarHBondContact CA-O 3.37Å
185	S	80.2	Confident	84.8	Confident	21 Å²	21	45 Å²	45	15%	0.147	22%	0.216	C	C	.	.	H	α-helix	trans	-52.4	-35.5	-178.4	56.6	0	0	0	0	113.9	A189 G191 G215 K216	S185-A189 PolarHBondContact O-N 3.39Å; S185-A189 VanDerWaalsContact O-N 3.08Å; S185-G191 WeakPolarHBondContact O-CA 3.45Å; S185-G191 PolarHBondContact O-N 3.23Å; S185-G191 VanDerWaalsContact O-N 3.09Å; S185-G215 PolarHBondContact N-O 3.44Å; S185-G215 PolarHBondContact OG-O 2.94Å; S185-K216 WeakPolarHBondContact OG-CB 3.34Å; S185-K216 WeakPolarHBondContact OG-CD 3.45Å; S185-K216 WeakPolarHBondContact OG-CG 3.43Å
186	C	87	Confident	84.5	Confident	12 Å²	12	44.4 Å²	44.4	8%	0.081	21%	0.213	C	C	.	.	H	α-helix	trans	-70.2	-36.7	179	-69.7	0	0	0	0	113.4	G184 G190	G184-C186 PolarHBondContact O-N 2.79Å; G184-C186 VanDerWaalsContact O-N 3.1Å; C186-G190 WeakPolarHBondContact O-CA 3.48Å; C186-G190 PolarHBondContact O-N 2.86Å; C186-G190 PolarHBondContact SG-O 2.84Å
187	A	84.4	Confident	84.7	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-73.9	-37.5	174.8	0	0	0	0	0	110.9	V135 G137 S182 G184 G202 V203	V135-A187 HydrophobicContact CG1-CB 4.33Å; V135-A187 WeakPolarHBondContact O-CB 3.29Å; G137-A187 WeakPolarHBondContact O-CA 3.41Å; G137-A187 WeakPolarHBondContact O-CB 3.34Å; G137-A187 PolarHBondContact O-N 3.36Å; S182-A187 WeakPolarHBondContact OG-CB 3.49Å; S182-A187 PolarHBondContact OG-O 2.78Å; G184-A187 PolarHBondContact O-N 3.08Å; A187-G202 CarbonylContact O-C 3.58Å; A187-G202 WeakPolarHBondContact O-CA 3.41Å; A187-V203 PolarHBondContact O-N 3.02Å
188	N	82	Confident	84.7	Confident	29 Å²	29	47 Å²	47	16%	0.155	22%	0.22	C	C	.	.	H	α-helix	trans	-68.8	-49.1	-176.4	-59.8	-8.9	0	0	0	112.1	S182 G184 G202 Y212 I213	S182-N188 VanDerWaalsContact CB-OD1 3.23Å; S182-N188 WeakPolarHBondContact CB-OD1 3.39Å; S182-N188 PolarHBondContact O-OD1 2.83Å; S182-N188 VanDerWaalsContact O-OD1 3.14Å; S182-N188 PolarHBondContact OG-N 3.02Å; S182-N188 PolarHBondContact OG-OD1 2.76Å; G184-N188 VanDerWaalsContact O-CG 3.22Å; G184-N188 PolarHBondContact O-N 3.16Å; G184-N188 PolarHBondContact O-OD1 2.73Å; N188-G202 VanDerWaalsContact O-CA 3.24Å; N188-G202 WeakPolarHBondContact O-CA 3.23Å; N188-Y212 HydrophobicContact CB-CD1 3.89Å; N188-Y212 HydrophobicContact CB-CE1 4.47Å; N188-I213 PolarHBondContact ND2-O 3.39Å
189	A	80.7	Confident	84.6	Confident	26 Å²	26	46.3 Å²	46.3	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-142.5	13.8	-171.5	0	0	0	0	0	114.5	S185 G191	S185-A189 PolarHBondContact O-N 3.39Å; S185-A189 VanDerWaalsContact O-N 3.08Å; A189-G191 PolarHBondContact O-N 3.02Å
190	G	79.7	Confident	84.3	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.			trans	84.1	-22.3	-169.3	0	0	0	0	0	113	C186 Y192 Y193 A194	C186-G190 WeakPolarHBondContact O-CA 3.48Å; C186-G190 PolarHBondContact O-N 2.86Å; C186-G190 PolarHBondContact SG-O 2.84Å; G190-Y192 PolarHBondContact O-N 3.06Å; G190-Y193 PolarHBondContact O-N 3.37Å; G190-Y193 VanDerWaalsContact O-N 3.11Å; G190-A194 PolarHBondContact O-N 3.17Å
191	G	83.9	Confident	84.2	Confident	25 Å²	25	47.5 Å²	47.5	26%	0.258	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	55.7	-129.6	172.8	0	0	0	0	0	111.2	S185 A189 Y193 A194	S185-G191 WeakPolarHBondContact O-CA 3.45Å; S185-G191 PolarHBondContact O-N 3.23Å; S185-G191 VanDerWaalsContact O-N 3.09Å; A189-G191 PolarHBondContact O-N 3.02Å; G191-Y193 PolarHBondContact O-N 3.45Å; G191-Y193 VanDerWaalsContact O-N 3.15Å; G191-A194 WeakPolarHBondContact O-CB 3.36Å; G191-A194 PolarHBondContact O-N 3.14Å
192	Y	82.8	Confident	83.9	Confident	172 Å²	172	46.4 Å²	46.4	68%	0.675	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-61.4	-25.1	-179.3	-163.5	-96.1	0	0	0	114.3	G190 K216	G190-Y192 PolarHBondContact O-N 3.06Å; Y192-K216 VanDerWaalsContact CD2-NZ 3.32Å
193	Y	87.5	Confident	83.8	Confident	110 Å²	110	46.4 Å²	46.4	43%	0.431	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-100.9	15.1	179.7	-53.5	-69.2	0	0	0	112.5	G190 G191 Y195 S196	G190-Y193 PolarHBondContact O-N 3.37Å; G190-Y193 VanDerWaalsContact O-N 3.11Å; G191-Y193 PolarHBondContact O-N 3.45Å; G191-Y193 VanDerWaalsContact O-N 3.15Å; Y193-Y195 PolarHBondContact O-N 2.74Å; Y193-Y195 VanDerWaalsContact O-N 3.14Å; Y193-S196 WeakPolarHBondContact O-CB 3.26Å; Y193-S196 PolarHBondContact O-N 2.94Å; Y193-S196 PolarHBondContact O-OG 3.15Å
194	A	80.2	Confident	83.6	Confident	8 Å²	8	49.1 Å²	49.1	7%	0.066	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.9	-178.9	0	0	0	0	0	113.2	G190 G191 R201	G190-A194 PolarHBondContact O-N 3.17Å; G191-A194 WeakPolarHBondContact O-CB 3.36Å; G191-A194 PolarHBondContact O-N 3.14Å; A194-R201 WeakPolarHBondContact O-CG 3.32Å; A194-R201 PolarHBondContact O-NE 2.66Å; A194-R201 PolarHBondContact O-NH2 2.65Å
195	Y	85.3	Confident	83.4	Confident	146 Å²	146	55 Å²	55	57%	0.573	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-2.8	177.4	-56.3	-74.9	0	0	0	114.3	L25 Y193	L25-Y195 HydrophobicContact CD1-CE2 4.34Å; L25-Y195 WeakPolarHBondContact CD1-OH 3.48Å; L25-Y195 WeakPolarHBondContact CD2-OH 3.18Å; Y193-Y195 PolarHBondContact O-N 2.74Å; Y193-Y195 VanDerWaalsContact O-N 3.14Å
196	S	82.4	Confident	83.4	Confident	39 Å²	39	54.6 Å²	54.6	27%	0.273	25%	0.251	S	S	.	.	S	Bend	trans	-73.3	150.2	176.3	74.6	0	0	0	0	110.8	Y193 S198 V199	Y193-S196 WeakPolarHBondContact O-CB 3.26Å; Y193-S196 PolarHBondContact O-N 2.94Å; Y193-S196 PolarHBondContact O-OG 3.15Å; S196-S198 VanDerWaalsContact C-N 3.26Å; S196-S198 PolarHBondContact O-N 3.3Å; S196-V199 VanDerWaalsContact OG-CB 3.25Å; S196-V199 WeakPolarHBondContact OG-CB 3.24Å; S196-V199 WeakPolarHBondContact OG-CG2 3.21Å
197	Y	92.7	Very high	83.2	Confident	213 Å²	213	54.1 Å²	54.1	84%	0.835	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.7	-179.3	65.5	-89	0	0	0	113.3	N141	N141-Y197 PolarHBondContact ND2-O 3.11Å
198	S	89.5	Confident	83.2	Confident	46 Å²	46	56.9 Å²	56.9	32%	0.322	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-1	-170.3	59.3	0	0	0	0	114.1	T140 N141 S196	T140-S198 CarbonylContact C-O 3.43Å; T140-S198 WeakPolarHBondContact CA-O 3.01Å; T140-S198 WeakPolarHBondContact CB-O 3.44Å; N141-S198 PolarHBondContact N-O 3.03Å; S196-S198 VanDerWaalsContact C-N 3.26Å; S196-S198 PolarHBondContact O-N 3.3Å
199	V	86.4	Confident	83.1	Confident	13 Å²	13	56.4 Å²	56.4	8%	0.079	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-114.5	140.8	-177.8	176.8	0	0	0	0	111	T138 S196	T138-V199 VanDerWaalsContact OG1-CG1 3.26Å; T138-V199 WeakPolarHBondContact OG1-CG1 2.82Å; S196-V199 VanDerWaalsContact OG-CB 3.25Å; S196-V199 WeakPolarHBondContact OG-CB 3.24Å; S196-V199 WeakPolarHBondContact OG-CG2 3.21Å
200	V	81.8	Confident	83.1	Confident	16 Å²	16	59.5 Å²	59.5	10%	0.097	28%	0.277	C	S	.	.			trans	-78.2	131.6	174.7	-175.1	0	0	0	0	108.8	V139 N141 A144 G202 R205 I206	V139-V200 HydrophobicContact CB-CB 4.47Å; V139-V200 HydrophobicContact CG1-CB 4.38Å; V139-V200 HydrophobicContact CG1-CG2 4.16Å; V139-V200 PolarHBondContact O-N 3.09Å; N141-V200 VanDerWaalsContact OD1-CG2 3.29Å; N141-V200 WeakPolarHBondContact OD1-CG2 3.29Å; A144-V200 HydrophobicContact CB-CG2 4.01Å; V200-G202 VanDerWaalsContact CG1-O 3.32Å; V200-G202 WeakPolarHBondContact CG1-O 3.5Å; V200-G202 PolarHBondContact O-N 2.93Å; V200-R205 HydrophobicContact CG1-CB 4.31Å; V200-I206 HydrophobicContact CB-CD1 4.35Å; V200-I206 HydrophobicContact CG1-CD1 3.98Å; V200-I206 HydrophobicContact CG1-CG1 4.39Å; V200-I206 HydrophobicContact CG2-CD1 4.1Å
201	R	84.7	Confident	83	Confident	96 Å²	96	64 Å²	64	36%	0.362	30%	0.3	S	S	.	.	S	Bend	trans	-76.3	68.9	176.7	-62.8	-169.1	-177.4	-175.8	3.3	111.5	A194 R205	A194-R201 WeakPolarHBondContact O-CG 3.32Å; A194-R201 PolarHBondContact O-NE 2.66Å; A194-R201 PolarHBondContact O-NH2 2.65Å; R201-R205 PolarHBondContact O-NE 3.4Å
202	G	80.1	Confident	82.8	Confident	2 Å²	2	65.4 Å²	65.4	2%	0.021	30%	0.298	C	S	.	.			trans	98.4	138.4	179.3	0	0	0	0	0	113.4	A187 N188 V200 D204 R205	A187-G202 CarbonylContact O-C 3.58Å; A187-G202 WeakPolarHBondContact O-CA 3.41Å; N188-G202 VanDerWaalsContact O-CA 3.24Å; N188-G202 WeakPolarHBondContact O-CA 3.23Å; V200-G202 VanDerWaalsContact CG1-O 3.32Å; V200-G202 WeakPolarHBondContact CG1-O 3.5Å; V200-G202 PolarHBondContact O-N 2.93Å; G202-D204 PolarHBondContact O-N 2.89Å; G202-R205 PolarHBondContact O-N 3.3Å
203	V	81.4	Confident	82.5	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-71.4	-18.4	179.6	86.3	0	0	0	0	112.3	V135 V139 L147 A187 R205 I206 V207 V209	V135-V203 HydrophobicContact CG1-CG2 4.08Å; V135-V203 HydrophobicContact CG2-CG2 4.29Å; V139-V203 HydrophobicContact CG2-CB 4.3Å; V139-V203 HydrophobicContact CG2-CG2 3.91Å; L147-V203 HydrophobicContact CD1-CG2 4.04Å; A187-V203 PolarHBondContact O-N 3.02Å; V203-R205 PolarHBondContact O-N 3.02Å; V203-R205 VanDerWaalsContact O-N 3.09Å; V203-I206 WeakPolarHBondContact O-CA 3.37Å; V203-I206 PolarHBondContact O-N 3.42Å; V203-V207 HydrophobicContact CG1-CG2 4.24Å; V203-V207 HydrophobicContact CG2-CG2 3.77Å; V203-V207 PolarHBondContact O-N 3.05Å; V203-V209 HydrophobicContact CG1-CG2 3.34Å
204	D	80.1	Confident	81.9	Confident	57 Å²	57	55.6 Å²	55.6	31%	0.305	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-55.3	-26.5	174.8	-168.3	47.5	0	0	0	113.3	H14 G202 I206 V207 V209 Y212	H14-D204 IonicContact CD2-OD2 3.82Å; G202-D204 PolarHBondContact O-N 2.89Å; D204-I206 PolarHBondContact O-N 3.37Å; D204-V207 VanDerWaalsContact CA-O 3.32Å; D204-V207 WeakPolarHBondContact CA-O 3.21Å; D204-V209 HydrophobicContact CB-CG2 4.4Å; D204-Y212 VanDerWaalsContact CB-OH 3.28Å; D204-Y212 WeakPolarHBondContact CB-OH 3.4Å; D204-Y212 PolarHBondContact OD1-OH 3.05Å
205	R	78.5	Confident	81.5	Confident	124 Å²	124	55.9 Å²	55.9	47%	0.468	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-69.9	-18.5	175.4	-60.9	-175.6	-179.1	-156	-3.5	113.4	V200 R201 G202 V203	V200-R205 HydrophobicContact CG1-CB 4.31Å; R201-R205 PolarHBondContact O-NE 3.4Å; G202-R205 PolarHBondContact O-N 3.3Å; V203-R205 PolarHBondContact O-N 3.02Å; V203-R205 VanDerWaalsContact O-N 3.09Å
206	I	80.3	Confident	80.6	Confident	13 Å²	13	52.3 Å²	52.3	7%	0.067	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-50.7	-172.3	-57.9	161.8	0	0	0	110.2	V139 A144 L147 R148 V150 V200 V203 D204	V139-I206 HydrophobicContact CG1-CD1 3.7Å; A144-I206 HydrophobicContact CB-CD1 3.66Å; A144-I206 HydrophobicContact CB-CG1 4.35Å; L147-I206 HydrophobicContact CB-CG2 4.02Å; R148-I206 HydrophobicContact CB-CG2 3.56Å; R148-I206 VanDerWaalsContact CD-O 3.26Å; R148-I206 WeakPolarHBondContact CD-O 3.35Å; R148-I206 WeakPolarHBondContact O-CG2 3.4Å; V150-I206 HydrophobicContact CG2-CG1 4.12Å; V200-I206 HydrophobicContact CB-CD1 4.35Å; V200-I206 HydrophobicContact CG1-CD1 3.98Å; V200-I206 HydrophobicContact CG1-CG1 4.39Å; V200-I206 HydrophobicContact CG2-CD1 4.1Å; V203-I206 WeakPolarHBondContact O-CA 3.37Å; V203-I206 PolarHBondContact O-N 3.42Å; D204-I206 PolarHBondContact O-N 3.37Å
207	V	82.5	Confident	79.6	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.006	27%	0.265	C	S	.	.	S	Bend	trans	-126.2	143.9	179.9	-70.6	0	0	0	0	109.7	M133 R148 Y171 V180 V203 D204 V209	M133-V207 HydrophobicContact CE-CB 4.28Å; M133-V207 HydrophobicContact CE-CG1 4.08Å; M133-V207 HydrophobicContact CE-CG2 3.9Å; R148-V207 HydrophobicContact CB-CG1 3.83Å; Y171-V207 HydrophobicContact CD1-CG1 4.09Å; Y171-V207 HydrophobicContact CD2-CB 4.42Å; Y171-V207 HydrophobicContact CD2-CG1 4.05Å; Y171-V207 HydrophobicContact CG-CB 4.42Å; Y171-V207 HydrophobicContact CG-CG1 3.67Å; V180-V207 HydrophobicContact CG1-CG2 4.04Å; V203-V207 HydrophobicContact CG1-CG2 4.24Å; V203-V207 HydrophobicContact CG2-CG2 3.77Å; V203-V207 PolarHBondContact O-N 3.05Å; D204-V207 VanDerWaalsContact CA-O 3.32Å; D204-V207 WeakPolarHBondContact CA-O 3.21Å; V207-V209 PolarHBondContact O-N 3.48Å
208	P	84.3	Confident	78.2	Confident	59 Å²	59	43.2 Å²	43.2	38%	0.383	23%	0.225	S	C	.	.			trans	-64.1	127.6	171.4	29.5	-34	0	0	0	108.6	R148 Y171 V180	R148-P208 VanDerWaalsContact NH1-CD 3.35Å; Y171-P208 HydrophobicContact CE1-CG 4.25Å; Y171-P208 WeakPolarHBondContact OH-CG 3.42Å; V180-P208 VanDerWaalsContact CB-O 3.29Å; V180-P208 WeakPolarHBondContact CB-O 2.91Å; V180-P208 VanDerWaalsContact CG2-O 3.27Å; V180-P208 WeakPolarHBondContact CG2-O 2.83Å
209	V	79.7	Confident	76.7	Confident	19 Å²	19	43 Å²	43	12%	0.115	22%	0.223	C	C	.	.			trans	-100.5	134.3	177.6	179.7	0	0	0	0	109.5	V180 V203 D204 V207 I211 Y212	V180-V209 HydrophobicContact CG1-CG2 4.28Å; V203-V209 HydrophobicContact CG1-CG2 3.34Å; D204-V209 HydrophobicContact CB-CG2 4.4Å; V207-V209 PolarHBondContact O-N 3.48Å; V209-I211 WeakPolarHBondContact CG1-O 3.25Å; V209-Y212 HydrophobicContact CB-CE1 3.97Å; V209-Y212 HydrophobicContact CB-CE2 4Å; V209-Y212 HydrophobicContact CG1-CD1 3.95Å; V209-Y212 HydrophobicContact CG1-CD2 4.05Å; V209-Y212 HydrophobicContact CG1-CE1 3.7Å; V209-Y212 HydrophobicContact CG1-CE2 3.77Å; V209-Y212 HydrophobicContact CG1-CG 4.14Å; V209-Y212 HydrophobicContact CG2-CE1 4.2Å
210	D	80.4	Confident	75.4	Confident	90 Å²	90	43 Å²	43	48%	0.481	22%	0.223	S	C	.	.	S	Bend	trans	-92.9	-43.8	176.3	-60.2	-70	0	0	0	111.6	W179 V180	W179-D210 WeakPolarHBondContact CA-OD2 3.32Å; V180-D210 PolarHBondContact N-OD2 3.02Å; V180-D210 PolarHBondContact O-N 3.26Å
211	I	78.7	Confident	74	Confident	95 Å²	95	48.2 Å²	48.2	49%	0.487	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129	-175.3	-57.5	174.1	0	0	0	109.5	V180 I181 S182 V209 I213	V180-I211 PolarHBondContact O-N 2.59Å; I181-I211 WeakPolarHBondContact CA-O 3.34Å; I181-I211 HydrophobicContact CG1-CB 4.42Å; S182-I211 PolarHBondContact N-O 3.03Å; V209-I211 WeakPolarHBondContact CG1-O 3.25Å; I211-I213 HydrophobicContact CG2-CG1 4.24Å
212	Y	80	Confident	72.5	Confident	55 Å²	55	46.5 Å²	46.5	22%	0.216	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.9	172.2	-65.8	-87.8	0	0	0	109.4	N188 D204 V209	N188-Y212 HydrophobicContact CB-CD1 3.89Å; N188-Y212 HydrophobicContact CB-CE1 4.47Å; D204-Y212 VanDerWaalsContact CB-OH 3.28Å; D204-Y212 WeakPolarHBondContact CB-OH 3.4Å; D204-Y212 PolarHBondContact OD1-OH 3.05Å; V209-Y212 HydrophobicContact CB-CE1 3.97Å; V209-Y212 HydrophobicContact CB-CE2 4Å; V209-Y212 HydrophobicContact CG1-CD1 3.95Å; V209-Y212 HydrophobicContact CG1-CD2 4.05Å; V209-Y212 HydrophobicContact CG1-CE1 3.7Å; V209-Y212 HydrophobicContact CG1-CE2 3.77Å; V209-Y212 HydrophobicContact CG1-CG 4.14Å; V209-Y212 HydrophobicContact CG2-CE1 4.2Å
213	I	75.7	Confident	71.4	Confident	17 Å²	17	48.1 Å²	48.1	9%	0.087	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.8	175.2	-51.4	-178.1	0	0	0	107.7	I181 S182 G184 N188 I211 T218 L222 M223	I181-I213 HydrophobicContact CG2-CD1 3.41Å; I181-I213 VanDerWaalsContact CG2-CD1 3.41Å; I181-I213 HydrophobicContact CG2-CG1 3.8Å; S182-I213 PolarHBondContact O-N 3.31Å; G184-I213 PolarHBondContact N-O 3.14Å; N188-I213 PolarHBondContact ND2-O 3.39Å; I211-I213 HydrophobicContact CG2-CG1 4.24Å; I213-T218 HydrophobicContact CG2-CG2 3.43Å; I213-T218 VanDerWaalsContact CG2-CG2 3.43Å; I213-L222 HydrophobicContact CG2-CD2 3.77Å; I213-M223 HydrophobicContact CD1-CG 4.19Å; I213-M223 HydrophobicContact CD1-SD 4.26Å
214	P	75.7	Confident	70.1	Confident	59 Å²	59	51.9 Å²	51.9	38%	0.383	26%	0.262	S	S	.	.			trans	-70.8	159.1	177.6	28.8	-33.2	0	0	0	111.9	T218 L222	P214-T218 WeakPolarHBondContact O-CG2 3.45Å; P214-T218 PolarHBondContact O-OG1 3.48Å; P214-T218 VanDerWaalsContact O-OG1 3.05Å; P214-L222 HydrophobicContact CG-CD2 3.89Å
215	G	71.1	Confident	68.2	Low	14 Å²	14	54.5 Å²	54.5	14%	0.144	28%	0.276	C	S	.	.			trans	134.1	161	175.4	0	0	0	0	0	115.4	G184 S185	G184-G215 CarbonylContact C-O 3.47Å; G184-G215 WeakPolarHBondContact CA-O 3.37Å; S185-G215 PolarHBondContact N-O 3.44Å; S185-G215 PolarHBondContact OG-O 2.94Å
216	K	67.2	Low	66.1	Low	71 Å²	71	53.9 Å²	53.9	31%	0.309	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.3	85.4	176.4	-160.9	-170.8	176.2	-134.4	0	113	Y45 S185 Y192	Y45-K216 PolarHBondContact OH-N 2.73Å; Y45-K216 PolarHBondContact OH-O 3.06Å; S185-K216 WeakPolarHBondContact OG-CB 3.34Å; S185-K216 WeakPolarHBondContact OG-CD 3.45Å; S185-K216 WeakPolarHBondContact OG-CG 3.43Å; Y192-K216 VanDerWaalsContact CD2-NZ 3.32Å
217	P	61.3	Low	63.8	Low	60 Å²	60	56.6 Å²	56.6	39%	0.39	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	cis	-74.9	159.1	-8.9	37.2	-36.3	0	0	0	110.1	E105 S219	E105-P217 HydrophobicContact CG-CB 3.8Å; E105-P217 HydrophobicContact CG-CG 4.14Å; P217-S219 PolarHBondContact O-N 2.76Å
218	T	62	Low	61.1	Low	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-69	127.6	179.8	-61.9	0	0	0	0	109.7	E105 M183 I213 P214 T220 L222	E105-T218 VanDerWaalsContact CB-O 3.31Å; E105-T218 WeakPolarHBondContact CB-O 3.12Å; E105-T218 VanDerWaalsContact CD-O 3.23Å; E105-T218 WeakPolarHBondContact CG-O 3.48Å; M183-T218 HydrophobicContact CE-CG2 4.24Å; I213-T218 HydrophobicContact CG2-CG2 3.43Å; I213-T218 VanDerWaalsContact CG2-CG2 3.43Å; P214-T218 WeakPolarHBondContact O-CG2 3.45Å; P214-T218 PolarHBondContact O-OG1 3.48Å; P214-T218 VanDerWaalsContact O-OG1 3.05Å; T218-T220 PolarHBondContact O-N 2.84Å; T218-L222 HydrophobicContact CG2-CB 4.24Å; T218-L222 HydrophobicContact CG2-CD2 4.47Å
219	S	59.4	Low	60	Low	41 Å²	41	68 Å²	68	29%	0.287	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-62	135	174	58.9	0	0	0	0	110.6	P217 Y221 L222	P217-S219 PolarHBondContact O-N 2.76Å; S219-Y221 PolarHBondContact O-N 3.46Å; S219-Y221 WeakPolarHBondContact OG-CD1 3.12Å; S219-Y221 WeakPolarHBondContact OG-CE1 3.39Å; S219-L222 WeakPolarHBondContact O-CB 3.26Å; S219-L222 PolarHBondContact O-N 2.95Å
220	T	58.9	Low	58.9	Low	13 Å²	13	70.5 Å²	70.5	8%	0.08	36%	0.357	C	S	.	.	H	α-helix	trans	-49.8	-33.6	176.2	-11	0	0	0	0	113.1	E105 H108 F109 Y114 T218 L222 M223	E105-T220 PolarHBondContact OE2-N 2.86Å; E105-T220 VanDerWaalsContact OE2-N 3.13Å; E105-T220 PolarHBondContact OE2-OG1 2.79Å; H108-T220 HydrophobicContact CB-CG2 3.8Å; F109-T220 HydrophobicContact CB-CG2 3.63Å; F109-T220 HydrophobicContact CD2-CG2 4.48Å; Y114-T220 HydrophobicContact CD2-CG2 3.63Å; Y114-T220 HydrophobicContact CE2-CG2 4.26Å; Y114-T220 HydrophobicContact CG-CG2 4.18Å; T218-T220 PolarHBondContact O-N 2.84Å; T220-L222 VanDerWaalsContact C-N 3.33Å; T220-L222 PolarHBondContact O-N 3.39Å; T220-M223 WeakPolarHBondContact O-CB 3.4Å; T220-M223 PolarHBondContact O-N 2.82Å
221	Y	52.3	Low	57.7	Low	127 Å²	127	69.4 Å²	69.4	50%	0.498	35%	0.35	S	S	.	.	H	α-helix	trans	-64.8	-33.6	179.8	91.5	-101.5	0	0	0	113.3	S219 M223 Y224 N225	S219-Y221 PolarHBondContact O-N 3.46Å; S219-Y221 WeakPolarHBondContact OG-CD1 3.12Å; S219-Y221 WeakPolarHBondContact OG-CE1 3.39Å; Y221-M223 PolarHBondContact O-N 3.24Å; Y221-Y224 PolarHBondContact O-N 2.71Å; Y221-N225 PolarHBondContact O-N 2.99Å
222	L	53.1	Low	56.5	Low	60 Å²	60	67.9 Å²	67.9	31%	0.314	34%	0.342	S	S	.	.	H	α-helix	trans	-67.5	-24.2	-175.2	-150	97.6	0	0	0	111	I213 P214 T218 S219 T220	I213-L222 HydrophobicContact CG2-CD2 3.77Å; P214-L222 HydrophobicContact CG-CD2 3.89Å; T218-L222 HydrophobicContact CG2-CB 4.24Å; T218-L222 HydrophobicContact CG2-CD2 4.47Å; S219-L222 WeakPolarHBondContact O-CB 3.26Å; S219-L222 PolarHBondContact O-N 2.95Å; T220-L222 VanDerWaalsContact C-N 3.33Å; T220-L222 PolarHBondContact O-N 3.39Å
223	M	57.8	Low	55	Low	36 Å²	36	68.8 Å²	68.8	18%	0.177	35%	0.35	C	S	.	.	H	α-helix	trans	-80.6	-28	176.2	-148.1	151.3	154.8	0	0	111.9	F109 I134 M183 I213 T220 Y221	F109-M223 HydrophobicContact CD1-CE 3.74Å; F109-M223 HydrophobicContact CD1-SD 4.34Å; F109-M223 HydrophobicContact CD2-CB 4.06Å; F109-M223 HydrophobicContact CD2-CG 4.25Å; F109-M223 HydrophobicContact CE1-CE 3.93Å; F109-M223 HydrophobicContact CE1-CG 4.42Å; F109-M223 HydrophobicContact CE2-CB 4.09Å; F109-M223 HydrophobicContact CE2-CG 4.15Å; F109-M223 HydrophobicContact CG-CE 4.31Å; F109-M223 HydrophobicContact CG-CG 4.45Å; F109-M223 HydrophobicContact CG-SD 4.32Å; F109-M223 HydrophobicContact CZ-CG 4.25Å; I134-M223 HydrophobicContact CD1-CE 3.89Å; M183-M223 HydrophobicContact CE-SD 3.77Å; M183-M223 HydrophobicContact SD-CE 4.39Å; M183-M223 HydrophobicContact SD-SD 3.92Å; I213-M223 HydrophobicContact CD1-CG 4.19Å; I213-M223 HydrophobicContact CD1-SD 4.26Å; T220-M223 WeakPolarHBondContact O-CB 3.4Å; T220-M223 PolarHBondContact O-N 2.82Å; Y221-M223 PolarHBondContact O-N 3.24Å
224	Y	53.5	Low	53.7	Low	78 Å²	78	72.2 Å²	72.2	31%	0.306	37%	0.367	S	S	.	.	H	α-helix	trans	-88.5	-31.5	-179.2	-153.2	-84.6	0	0	0	112.5	F109 Y114 F119 Y221 K226	F109-Y224 HydrophobicContact CE2-CD2 4.03Å; Y114-Y224 HydrophobicContact CD1-CD2 4.28Å; Y114-Y224 HydrophobicContact CD1-CG 4.46Å; F119-Y224 HydrophobicContact CD2-CE2 4.15Å; F119-Y224 HydrophobicContact CE2-CD1 4.27Å; F119-Y224 AromaticContact CE2-CD2 3.76Å; F119-Y224 HydrophobicContact CE2-CD2 3.76Å; F119-Y224 AromaticContact CE2-CE1 3.8Å; F119-Y224 HydrophobicContact CE2-CE1 3.8Å; F119-Y224 AromaticContact CE2-CE2 3.21Å; F119-Y224 HydrophobicContact CE2-CE2 3.21Å; F119-Y224 HydrophobicContact CE2-CG 4.26Å; F119-Y224 AromaticContact CE2-CZ 3.22Å; F119-Y224 WeakPolarHBondContact CE2-OH 3.21Å; F119-Y224 HydrophobicContact CZ-CD1 4.37Å; F119-Y224 AromaticContact CZ-CE1 3.63Å; F119-Y224 HydrophobicContact CZ-CE1 3.63Å; F119-Y224 AromaticContact CZ-CE2 3.86Å; F119-Y224 HydrophobicContact CZ-CE2 3.86Å; F119-Y224 AromaticContact CZ-CZ 3.32Å; F119-Y224 VanDerWaalsContact CZ-OH 3.28Å; F119-Y224 WeakPolarHBondContact CZ-OH 3.44Å; Y221-Y224 PolarHBondContact O-N 2.71Å; Y224-K226 PolarHBondContact O-N 3.18Å
225	N	39.4	Very low	52.1	Low	112 Å²	112	73.1 Å²	73.1	60%	0.599	37%	0.366	S	S	*	.			trans	-84	78.6	179.8	-159.3	37.4	0	0	0	110.4	Y221	Y221-N225 PolarHBondContact O-N 2.99Å
226	K	34	Very low	50.6	Low	111 Å²	111	77.7 Å²	77.7	48%	0.483	38%	0.383	S	S	.	.			trans	-57.2	136.6	159.1	-100.5	-162.1	177.6	-162.9	0	108.3	Y224 Q228	Y224-K226 PolarHBondContact O-N 3.18Å; K226-Q228 PolarHBondContact O-N 2.94Å
227	P	33.6	Very low	49.2	Very low	71 Å²	71	78.3 Å²	78.3	46%	0.461	39%	0.389	S	S	.	.			trans	-54.9	118.1	160.9	26.3	-33.5	0	0	0	107.2	D53	D53-P227 VanDerWaalsContact O-CB 3.24Å; D53-P227 WeakPolarHBondContact O-CB 2.91Å; D53-P227 VanDerWaalsContact O-CG 3.23Å; D53-P227 WeakPolarHBondContact O-CG 3.5Å
228	Q	25.6	Very low	48.1	Very low	230 Å²	230	79.9 Å²	79.9	100%	1.075	39%	0.389	S	S	*	.			trans	-70.5	0	172.6	-61.4	-98.5	-10.7	0	0	109	K226	K226-Q228 PolarHBondContact O-N 2.94Å

Retrieved 228 of 228 residues in 998.4 ms (Link to these results)

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