A0A077ZFV0_TRITR Loading...

SH3 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZFV0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 224 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.4	Very low	42.5	Very low	248 Å²	248	156 Å²	156	100%	1.222	83%	0.829	S	S	*	*				0	111.5	0	-71.2	170.8	179.2	0	0	106.2
2	N	39.2	Very low	41.8	Very low	166 Å²	166	161.8 Å²	161.8	89%	0.888	83%	0.831	S	S	*	*			trans	-100.3	122.5	-166.3	-142.3	-14.3	0	0	0	107
3	L	46.5	Very low	41.8	Very low	169 Å²	169	157.1 Å²	157.1	89%	0.885	81%	0.814	S	S	*	*			trans	-110.4	107.1	174.6	-82.5	156.3	0	0	0	106.7
4	D	48.9	Very low	41.3	Very low	132 Å²	132	159.6 Å²	159.6	71%	0.706	82%	0.82	S	S	*	*			trans	-81.6	122.7	-176.9	-147.9	-23.1	0	0	0	110	Q6	D4-Q6 PolarHBondContact O-N 3.25Å
5	P	53.4	Low	41.1	Very low	126 Å²	126	159.1 Å²	159.1	82%	0.818	81%	0.813	S	S	*	*			trans	-89.3	76.8	174.6	34.7	-30.2	0	0	0	109.9
6	Q	43.2	Very low	40.6	Very low	152 Å²	152	156.8 Å²	156.8	71%	0.71	82%	0.815	S	S	*	*			trans	-123.7	69	178.7	-84.4	-99.9	14.5	0	0	110.4	D4	D4-Q6 PolarHBondContact O-N 3.25Å
7	L	39.4	Very low	40.6	Very low	170 Å²	170	154.5 Å²	154.5	89%	0.89	81%	0.81	S	S	*	*			trans	-151	138.6	158.7	-74.6	-177.4	0	0	0	109.7
8	T	42.5	Very low	40.4	Very low	134 Å²	134	151.4 Å²	151.4	82%	0.822	80%	0.803	S	S	*	*			trans	94.6	52.4	175.2	-19.8	0	0	0	0	116.2
9	T	38.6	Very low	40.2	Very low	122 Å²	122	150.9 Å²	150.9	75%	0.748	81%	0.806	S	S	*	*			trans	-100	103.5	148.4	-59.9	0	0	0	0	108.1	N11	T9-N11 PolarHBondContact O-N 3.24Å
10	F	36	Very low	40	Very low	167 Å²	167	151.7 Å²	151.7	73%	0.732	81%	0.807	S	S	*	*			trans	-85.8	100.2	172.3	-146.7	-92	0	0	0	107.9	W12	F10-W12 PolarHBondContact O-N 3.41Å
11	N	36.9	Very low	39.5	Very low	130 Å²	130	155.1 Å²	155.1	70%	0.695	81%	0.809	S	S	*	*			trans	-77.8	110.6	175.3	-90.8	-40.7	0	0	0	109.7	T9 T13	T9-N11 PolarHBondContact O-N 3.24Å; N11-T13 PolarHBondContact O-N 3.24Å
12	W	34.1	Very low	39.2	Very low	226 Å²	226	147.8 Å²	147.8	86%	0.856	79%	0.788	S	S	*	*			trans	-77.3	99.8	160.9	-77.2	96.6	0	0	0	108.4	F10 Q14	F10-W12 PolarHBondContact O-N 3.41Å; W12-Q14 PolarHBondContact O-N 3.26Å
13	T	42	Very low	38.9	Very low	100 Å²	100	146 Å²	146	61%	0.613	78%	0.783	S	S	*	*			trans	-67.1	115.4	172.8	-50.1	0	0	0	0	108.7	N11 H15	N11-T13 PolarHBondContact O-N 3.24Å; T13-H15 PolarHBondContact O-N 2.98Å
14	Q	34.8	Very low	38.5	Very low	192 Å²	192	143 Å²	143	90%	0.897	78%	0.776	S	S	*	*			trans	-60.1	98.7	169.5	-88.8	-176	-39.6	0	0	109.6	W12 S16	W12-Q14 PolarHBondContact O-N 3.26Å; Q14-S16 PolarHBondContact O-N 2.99Å
15	H	39.1	Very low	38	Very low	153 Å²	153	141.6 Å²	141.6	71%	0.708	78%	0.777	S	S	*	*			trans	-85.6	90.9	159.3	-71.4	-77.2	0	0	0	108.2	T13 T17	T13-H15 PolarHBondContact O-N 2.98Å; H15-T17 VanDerWaalsContact C-N 3.31Å; H15-T17 PolarHBondContact O-N 3.11Å
16	S	32.5	Very low	37	Very low	122 Å²	122	143.1 Å²	143.1	85%	0.853	78%	0.778	S	S	*	*			trans	-63.3	92.9	163.1	-168	0	0	0	0	107.9	Q14	Q14-S16 PolarHBondContact O-N 2.99Å
17	T	41.3	Very low	36.8	Very low	117 Å²	117	144.8 Å²	144.8	72%	0.718	79%	0.786	S	S	*	*			trans	-94.1	109.3	168.4	47.9	0	0	0	0	108.4	H15 V19	H15-T17 VanDerWaalsContact C-N 3.31Å; H15-T17 PolarHBondContact O-N 3.11Å; T17-V19 PolarHBondContact O-N 2.82Å; T17-V19 VanDerWaalsContact O-N 3.11Å
18	S	36.1	Very low	36.7	Very low	100 Å²	100	142.6 Å²	142.6	70%	0.699	78%	0.784	S	S	*	*			trans	-43.6	115.2	165.9	175.2	0	0	0	0	109.9	M20	S18-M20 VanDerWaalsContact C-N 3.28Å; S18-M20 PolarHBondContact O-N 3.28Å
19	V	36.9	Very low	36.2	Very low	141 Å²	141	139.7 Å²	139.7	86%	0.855	78%	0.781	S	S	*	*			trans	-66.5	90.3	174.3	178.6	0	0	0	0	108	T17 R21	T17-V19 PolarHBondContact O-N 2.82Å; T17-V19 VanDerWaalsContact O-N 3.11Å; V19-R21 PolarHBondContact O-N 3.12Å
20	M	35.2	Very low	36.1	Very low	166 Å²	166	141.7 Å²	141.7	82%	0.818	78%	0.782	S	S	*	*			trans	-64	118.2	165.5	-78.4	-84.4	-173.6	0	0	107.9	S18 A22	S18-M20 VanDerWaalsContact C-N 3.28Å; S18-M20 PolarHBondContact O-N 3.28Å; M20-A22 PolarHBondContact O-N 3.04Å
21	R	30.1	Very low	36.5	Very low	224 Å²	224	144.2 Å²	144.2	85%	0.845	79%	0.787	S	S	*	*			trans	-55.1	100.1	172.8	179.9	-177	-75.4	163	-4.5	109.5	V19 T23	V19-R21 PolarHBondContact O-N 3.12Å; R21-T23 HydrophobicContact CG-CG2 4.28Å; R21-T23 PolarHBondContact O-N 3.41Å
22	A	37	Very low	36.9	Very low	95 Å²	95	143.7 Å²	143.7	79%	0.785	78%	0.784	S	S	*	*			trans	-75	90.8	169.1	0	0	0	0	0	109.4	M20 S24	M20-A22 PolarHBondContact O-N 3.04Å; A22-S24 VanDerWaalsContact C-N 3.3Å; A22-S24 PolarHBondContact O-N 2.99Å
23	T	31.6	Very low	37.8	Very low	128 Å²	128	137.2 Å²	137.2	79%	0.785	77%	0.773	S	S	*	*			trans	-74.6	87.7	156.1	46.9	0	0	0	0	107.5	R21	R21-T23 HydrophobicContact CG-CG2 4.28Å; R21-T23 PolarHBondContact O-N 3.41Å
24	S	38	Very low	38.7	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	76%	0.756	S	S	*	*			trans	-105.7	112.3	169.2	-176.7	0	0	0	0	109.3	A22	A22-S24 VanDerWaalsContact C-N 3.3Å; A22-S24 PolarHBondContact O-N 2.99Å
25	S	38.7	Very low	39.9	Very low	103 Å²	103	128.2 Å²	128.2	72%	0.72	73%	0.727	S	S	*	*			trans	-32.7	140.2	167.8	41	0	0	0	0	116.4
26	N	32.6	Very low	41.3	Very low	158 Å²	158	123.9 Å²	123.9	85%	0.845	71%	0.708	S	S	*	*			trans	-2	122.5	148.3	-70.8	-21	0	0	0	115.5
27	E	38.7	Very low	43.2	Very low	187 Å²	187	127.3 Å²	127.3	87%	0.874	70%	0.702	S	S	*	*				-161.7	138.8	125	-74.4	-135.2	116.1	0	0	109.7
28	S	39	Very low	44.4	Very low	123 Å²	123	122.5 Å²	122.5	86%	0.86	67%	0.672	S	S	*	*			trans	72.8	111.2	175	76.4	0	0	0	0	118.2
29	G	31.6	Very low	46	Very low	73 Å²	73	123.9 Å²	123.9	75%	0.753	67%	0.672	S	S	*	*			trans	-76.6	-171.5	175.7	0	0	0	0	0	113.9
30	Q	35.9	Very low	47.5	Very low	164 Å²	164	119.3 Å²	119.3	77%	0.766	65%	0.653	S	S	*	*			trans	90	95.8	166.9	-100.7	164.2	-38.5	0	0	118.4
31	R	44.6	Very low	49	Very low	220 Å²	220	114.6 Å²	114.6	83%	0.83	63%	0.628	S	S	*	*			trans	84.2	8.9	131.1	-68.7	-177.1	179.9	156.7	-0.1	123.2	S33	R31-S33 VanDerWaalsContact C-N 3.33Å; R31-S33 PolarHBondContact O-N 3.17Å; R31-S33 VanDerWaalsContact O-N 3.12Å
32	D	46.4	Very low	51.1	Low	119 Å²	119	108.6 Å²	108.6	64%	0.636	61%	0.608	S	S	*	*			trans	-88	41.7	177.2	-83.9	-18.7	0	0	0	116.1	A34	D32-A34 VanDerWaalsContact C-N 3.31Å; D32-A34 PolarHBondContact O-N 3.19Å
33	S	51.2	Low	53.2	Low	91 Å²	91	104.1 Å²	104.1	64%	0.636	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	11.4	-170.9	-171.3	0	0	0	0	116	R31	R31-S33 VanDerWaalsContact C-N 3.33Å; R31-S33 PolarHBondContact O-N 3.17Å; R31-S33 VanDerWaalsContact O-N 3.12Å
34	A	61.4	Low	55.6	Low	30 Å²	30	99.9 Å²	99.9	25%	0.248	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-13.7	-175.6	0	0	0	0	0	114.4	D32 P45 Y98	D32-A34 VanDerWaalsContact C-N 3.31Å; D32-A34 PolarHBondContact O-N 3.19Å; A34-P45 VanDerWaalsContact O-CD 3.28Å; A34-P45 WeakPolarHBondContact O-CD 3.46Å; A34-Y98 WeakPolarHBondContact CB-OH 3.42Å
35	Y	60.9	Low	57.8	Low	73 Å²	73	96.2 Å²	96.2	29%	0.286	52%	0.519	S	S	.	.			trans	-120	136.9	-172.7	-51.3	-78.9	0	0	0	109.2	A43 V44	Y35-A43 WeakPolarHBondContact CA-O 3.47Å; Y35-V44 HydrophobicContact CD1-CG2 3.65Å; Y35-V44 HydrophobicContact CE1-CG2 3.71Å
36	I	68.9	Low	60.1	Low	62 Å²	62	92.2 Å²	92.2	32%	0.318	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	161.2	166.8	64.5	158	0	0	0	108.8	I38 A43 F69	I36-I38 HydrophobicContact CD1-CD1 3.99Å; I36-I38 HydrophobicContact CD1-CG1 3.91Å; I36-I38 HydrophobicContact CG1-CG1 4.39Å; I36-A43 HydrophobicContact CG1-CB 4.13Å; I36-A43 PolarHBondContact N-O 3.04Å; I36-A43 PolarHBondContact O-N 3.14Å; I36-F69 HydrophobicContact CD1-CB 4.44Å; I36-F69 HydrophobicContact CD1-CD1 3.19Å; I36-F69 HydrophobicContact CD1-CD2 4.21Å; I36-F69 HydrophobicContact CD1-CE1 3.24Å; I36-F69 HydrophobicContact CD1-CE2 4.25Å; I36-F69 HydrophobicContact CD1-CG 3.7Å; I36-F69 HydrophobicContact CD1-CZ 3.79Å; I36-F69 HydrophobicContact CG1-CD1 3.86Å; I36-F69 HydrophobicContact CG1-CE1 4.15Å
37	R	71.9	Confident	62.7	Low	194 Å²	194	85.2 Å²	85.2	73%	0.732	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.9	174.2	-63.9	-178	81.2	-173.3	5.3	109.8	G40 K41	R37-G40 PolarHBondContact NE-O 3.25Å; R37-G40 VanDerWaalsContact NE-O 3.17Å; R37-G40 PolarHBondContact NH2-O 3.25Å; R37-K41 CarbonylContact C-O 3.55Å; R37-K41 WeakPolarHBondContact CA-O 3.26Å
38	I	65.9	Low	65.1	Low	16 Å²	16	76.5 Å²	76.5	8%	0.082	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.2	172.1	-59.1	180	0	0	0	107.1	I36 G40 K41 A43 F69 V82	I36-I38 HydrophobicContact CD1-CD1 3.99Å; I36-I38 HydrophobicContact CD1-CG1 3.91Å; I36-I38 HydrophobicContact CG1-CG1 4.39Å; I38-G40 PolarHBondContact O-N 3.09Å; I38-K41 PolarHBondContact N-O 3.19Å; I38-K41 WeakPolarHBondContact O-CB 3.48Å; I38-K41 PolarHBondContact O-N 2.85Å; I38-A43 HydrophobicContact CB-CB 4.43Å; I38-A43 HydrophobicContact CD1-CB 3.87Å; I38-A43 HydrophobicContact CG1-CB 3.99Å; I38-F69 HydrophobicContact CD1-CB 3.35Å; I38-F69 HydrophobicContact CD1-CD2 3.83Å; I38-F69 HydrophobicContact CD1-CG 3.69Å; I38-V82 HydrophobicContact CD1-CB 4.02Å; I38-V82 HydrophobicContact CD1-CG1 4.35Å; I38-V82 HydrophobicContact CD1-CG2 4.4Å; I38-V82 HydrophobicContact CG2-CG1 4.49Å; I38-V82 HydrophobicContact CG2-CG2 4.4Å
39	N	69.1	Low	67.4	Low	129 Å²	129	73.2 Å²	73.2	69%	0.69	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	40.5	-177.4	-61.1	-25.7	0	0	0	113.1	K41	N39-K41 PolarHBondContact O-N 3.22Å
40	G	70	Confident	70.1	Confident	45 Å²	45	75 Å²	75	46%	0.464	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-13.2	-177.1	0	0	0	0	0	115.5	R37 I38	R37-G40 PolarHBondContact NE-O 3.25Å; R37-G40 VanDerWaalsContact NE-O 3.17Å; R37-G40 PolarHBondContact NH2-O 3.25Å; I38-G40 PolarHBondContact O-N 3.09Å
41	K	65.1	Low	72.6	Confident	66 Å²	66	71.3 Å²	71.3	29%	0.287	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	142.8	-178.7	-56.3	172.5	-173.9	162.3	0	111.2	R37 I38 N39 A43 V71 L144	R37-K41 CarbonylContact C-O 3.55Å; R37-K41 WeakPolarHBondContact CA-O 3.26Å; I38-K41 PolarHBondContact N-O 3.19Å; I38-K41 WeakPolarHBondContact O-CB 3.48Å; I38-K41 PolarHBondContact O-N 2.85Å; N39-K41 PolarHBondContact O-N 3.22Å; K41-A43 PolarHBondContact O-N 3.18Å; K41-V71 HydrophobicContact CB-CG1 4.19Å; K41-V71 HydrophobicContact CD-CG1 3.94Å; K41-L144 VanDerWaalsContact CE-CD2 3.47Å
42	K	75.6	Confident	74.7	Confident	99 Å²	99	62 Å²	62	43%	0.43	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	128.9	172	-67.8	-178.9	179.5	178.3	0	108.9	I219	K42-I219 VanDerWaalsContact NZ-CG2 3.3Å; K42-I219 PolarHBondContact NZ-O 3.45Å; K42-I219 VanDerWaalsContact NZ-O 3.11Å
43	A	80.5	Confident	76.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.6	176.4	0	0	0	0	0	110.5	Y35 I36 I38 K41 F69 G70 V71	Y35-A43 WeakPolarHBondContact CA-O 3.47Å; I36-A43 HydrophobicContact CG1-CB 4.13Å; I36-A43 PolarHBondContact N-O 3.04Å; I36-A43 PolarHBondContact O-N 3.14Å; I38-A43 HydrophobicContact CB-CB 4.43Å; I38-A43 HydrophobicContact CD1-CB 3.87Å; I38-A43 HydrophobicContact CG1-CB 3.99Å; K41-A43 PolarHBondContact O-N 3.18Å; A43-F69 HydrophobicContact CB-CB 4.15Å; A43-G70 CarbonylContact C-O 3.55Å; A43-G70 VanDerWaalsContact CA-O 3.24Å; A43-G70 WeakPolarHBondContact CA-O 3.44Å; A43-V71 HydrophobicContact CB-CG2 4.11Å
44	V	81.8	Confident	78.5	Confident	39 Å²	39	59.7 Å²	59.7	24%	0.236	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.1	-175	-178.8	0	0	0	0	108.8	Y35 L46 F69 G70 Y98	Y35-V44 HydrophobicContact CD1-CG2 3.65Å; Y35-V44 HydrophobicContact CE1-CG2 3.71Å; V44-L46 HydrophobicContact CG1-CD2 4.18Å; V44-L46 PolarHBondContact O-N 3.18Å; V44-F69 CarbonylContact O-C 3.47Å; V44-F69 WeakPolarHBondContact O-CA 3.02Å; V44-G70 PolarHBondContact N-O 3.07Å; V44-G70 PolarHBondContact O-N 3.45Å; V44-Y98 HydrophobicContact CG1-CD2 3.32Å; V44-Y98 HydrophobicContact CG1-CE2 3.21Å
45	P	83.3	Confident	79.7	Confident	30 Å²	30	65.5 Å²	65.5	20%	0.195	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	125	173	28.6	-32.9	0	0	0	110.5	A34 F69 Y98	A34-P45 VanDerWaalsContact O-CD 3.28Å; A34-P45 WeakPolarHBondContact O-CD 3.46Å; P45-F69 HydrophobicContact CB-CD1 4.19Å; P45-F69 HydrophobicContact CB-CE1 4.14Å; P45-Y98 WeakPolarHBondContact O-CD2 3.4Å
46	L	87	Confident	80.6	Confident	19 Å²	19	66.3 Å²	66.3	10%	0.099	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.2	177.8	-58.7	174.8	0	0	0	109	V44 T67 V68 V79 I81 C96 Y98	V44-L46 HydrophobicContact CG1-CD2 4.18Å; V44-L46 PolarHBondContact O-N 3.18Å; L46-T67 WeakPolarHBondContact O-CA 3.43Å; L46-V68 HydrophobicContact CB-CG2 3.85Å; L46-V68 PolarHBondContact N-O 2.96Å; L46-V68 PolarHBondContact O-N 3.32Å; L46-V68 VanDerWaalsContact O-O 3.14Å; L46-V79 HydrophobicContact CD1-CG1 4.03Å; L46-I81 HydrophobicContact CD1-CG2 4.32Å; L46-C96 HydrophobicContact CB-CB 4.33Å; L46-C96 HydrophobicContact CD1-CB 4.33Å; L46-Y98 HydrophobicContact CD2-CD2 4.17Å
47	S	87.2	Confident	80.8	Confident	11 Å²	11	67.8 Å²	67.8	8%	0.077	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131	168.2	-166	0	0	0	0	108.6	S49 D66 C96 V97 K99	S47-S49 PolarHBondContact O-N 2.97Å; S47-D66 WeakPolarHBondContact CA-O 3.44Å; S47-C96 CarbonylContact O-C 3.59Å; S47-C96 WeakPolarHBondContact O-CA 3.43Å; S47-V97 PolarHBondContact N-O 2.81Å; S47-V97 PolarHBondContact O-N 3.3Å; S47-K99 VanDerWaalsContact CB-CE 3.43Å; S47-K99 WeakPolarHBondContact OG-CE 3.08Å; S47-K99 PolarHBondContact OG-NZ 3.3Å
48	V	89.4	Confident	81.3	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129	174.4	178.3	0	0	0	0	108.3	Q50 V62 A63 G65 D66 V68 A95	V48-Q50 WeakPolarHBondContact CG1-O 3.19Å; V48-V62 HydrophobicContact CB-CB 4.42Å; V48-V62 HydrophobicContact CB-CG2 4.49Å; V48-V62 HydrophobicContact CG1-CB 3.87Å; V48-V62 HydrophobicContact CG1-CG2 3.6Å; V48-V62 HydrophobicContact CG2-CB 3.84Å; V48-V62 HydrophobicContact CG2-CG1 4.16Å; V48-V62 HydrophobicContact CG2-CG2 4.06Å; V48-A63 VanDerWaalsContact CB-O 3.28Å; V48-A63 WeakPolarHBondContact CB-O 3.15Å; V48-A63 WeakPolarHBondContact CG1-O 3.16Å; V48-G65 PolarHBondContact O-N 2.97Å; V48-D66 HydrophobicContact CB-CB 4.16Å; V48-D66 HydrophobicContact CG2-CB 3.97Å; V48-D66 PolarHBondContact N-O 3.44Å; V48-V68 HydrophobicContact CG2-CG1 3.82Å; V48-V68 HydrophobicContact CG2-CG2 3.89Å; V48-A95 CarbonylContact C-O 3.49Å; V48-A95 WeakPolarHBondContact CA-O 3.38Å
49	S	88.2	Confident	82.3	Confident	55 Å²	55	59.9 Å²	59.9	39%	0.385	33%	0.331	S	S	.	.			trans	-103.2	-26	178.6	55.9	0	0	0	0	112.4	S47 A95	S47-S49 PolarHBondContact O-N 2.97Å; S49-A95 PolarHBondContact N-O 3.04Å; S49-A95 PolarHBondContact OG-O 2.94Å
50	Q	87.1	Confident	83.2	Confident	111 Å²	111	54.3 Å²	54.3	52%	0.519	30%	0.301	S	S	.	.	S	Bend	trans	-130.7	143.6	-178.9	-60.5	-177.7	-13	0	0	109.9	V48 H52 A95	V48-Q50 WeakPolarHBondContact CG1-O 3.19Å; Q50-H52 PolarHBondContact O-N 3.17Å; Q50-A95 HydrophobicContact CB-CB 4.26Å; Q50-A95 PolarHBondContact N-O 2.65Å
51	S	90.2	Very high	84.2	Confident	86 Å²	86	54.9 Å²	54.9	60%	0.601	30%	0.302	S	S	*	.			trans	-67.4	133.7	172.6	51.5	0	0	0	0	109.4	V62	S51-V62 CarbonylContact C-O 3.46Å; S51-V62 VanDerWaalsContact CA-O 3.24Å; S51-V62 WeakPolarHBondContact CA-O 3.19Å
52	H	88.3	Confident	85.3	Confident	25 Å²	25	52.1 Å²	52.1	12%	0.116	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-117.7	128	171.7	179.3	58.8	0	0	0	109.1	Q50 E59 L60 A61 V62 P92	Q50-H52 PolarHBondContact O-N 3.17Å; H52-E59 IonicContact CE1-OE2 3.23Å; H52-E59 PolarHBondContact CE1-OE2 3.13Å; H52-E59 VanDerWaalsContact CE1-OE2 3.23Å; H52-E59 IonicContact NE2-OE2 3.08Å; H52-E59 PolarHBondContact NE2-OE2 3.25Å; H52-E59 VanDerWaalsContact NE2-OE2 3.08Å; H52-L60 PolarHBondContact CD2-O 3.45Å; H52-A61 WeakPolarHBondContact O-CA 3.28Å; H52-V62 HydrophobicContact CB-CG2 3.7Å; H52-V62 PolarHBondContact N-O 3.27Å; H52-V62 PolarHBondContact O-N 2.79Å; H52-P92 VanDerWaalsContact CE1-CD 3.45Å; H52-P92 WeakPolarHBondContact CE1-CD 3.28Å; H52-P92 WeakPolarHBondContact ND1-CD 3.34Å
53	V	89.7	Confident	86.1	Confident	108 Å²	108	49.5 Å²	49.5	66%	0.655	29%	0.287	S	S	*	.			trans	-99.8	119.7	173.8	-179.1	0	0	0	0	106.5	L55	V53-L55 PolarHBondContact O-N 2.91Å
54	P	87.7	Confident	86.5	Confident	52 Å²	52	53.3 Å²	53.3	34%	0.338	31%	0.312	S	S	.	.			trans	-67.8	121.9	-176	28	-33.8	0	0	0	109.6	E59 A61	P54-E59 WeakPolarHBondContact CA-OE2 3.18Å; P54-E59 HydrophobicContact CB-CB 3.64Å; P54-E59 WeakPolarHBondContact CB-O 3.07Å; P54-A61 HydrophobicContact CG-CB 3.99Å
55	L	87.1	Confident	86.8	Confident	152 Å²	152	53.8 Å²	53.8	80%	0.796	33%	0.325	S	S	*	.	S	Bend	trans	-87.9	-35.5	171.8	-61.3	178.2	0	0	0	110.5	V53 E59	V53-L55 PolarHBondContact O-N 2.91Å; L55-E59 PolarHBondContact N-OE2 2.95Å
56	E	78.3	Confident	87.1	Confident	91 Å²	91	55 Å²	55	43%	0.425	33%	0.33	S	S	.	.	S	Bend	trans	-109.7	159.8	174.9	-56.9	-165.2	-179	0	0	111.7	D58 E59 S133	E56-D58 PolarHBondContact O-N 2.97Å; E56-E59 HydrophobicContact CB-CG 4.12Å; E56-E59 VanDerWaalsContact O-CB 3.31Å; E56-E59 WeakPolarHBondContact O-CB 3.35Å; E56-E59 PolarHBondContact O-N 3.44Å; E56-S133 VanDerWaalsContact OE2-CB 3.23Å; E56-S133 WeakPolarHBondContact OE2-CB 3.23Å
57	K	74.6	Confident	87.1	Confident	92 Å²	92	57.5 Å²	57.5	40%	0.4	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.5	177.7	62.4	-91.3	143.6	157.2	0	113.9	R130 A131 A132	K57-R130 WeakPolarHBondContact CB-O 3.5Å; K57-R130 WeakPolarHBondContact CG-O 3.3Å; K57-A131 WeakPolarHBondContact CD-O 3.48Å; K57-A131 WeakPolarHBondContact CE-O 3.41Å; K57-A131 VanDerWaalsContact CG-C 3.47Å; K57-A131 VanDerWaalsContact NZ-C 3.32Å; K57-A131 PolarHBondContact NZ-O 3.05Å; K57-A132 HydrophobicContact CD-CB 4.27Å; K57-A132 VanDerWaalsContact CD-N 3.26Å; K57-A132 HydrophobicContact CG-CB 3.82Å; K57-A132 PolarHBondContact NZ-O 3.26Å
58	D	80.8	Confident	87.1	Confident	25 Å²	25	57 Å²	57	13%	0.134	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-12	172.4	-65.7	-54.2	0	0	0	109.5	E56 G89 F90 A132 S133	E56-D58 PolarHBondContact O-N 2.97Å; D58-G89 CarbonylContact O-C 3.53Å; D58-G89 WeakPolarHBondContact O-CA 2.99Å; D58-F90 HydrophobicContact CB-CD2 3.93Å; D58-F90 HydrophobicContact CB-CE2 4.42Å; D58-F90 WeakPolarHBondContact O-CD2 3.24Å; D58-F90 PolarHBondContact O-N 3.16Å; D58-A132 WeakPolarHBondContact OD1-CB 3.38Å; D58-A132 WeakPolarHBondContact OD2-CB 3.28Å; D58-S133 PolarHBondContact OD2-N 2.82Å
59	E	88.5	Confident	87	Confident	19 Å²	19	58.4 Å²	58.4	9%	0.089	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-88.9	149.6	177.8	-64.1	172.9	-159.6	0	0	111.6	H52 P54 L55 E56 W78 F90	H52-E59 IonicContact CE1-OE2 3.23Å; H52-E59 PolarHBondContact CE1-OE2 3.13Å; H52-E59 VanDerWaalsContact CE1-OE2 3.23Å; H52-E59 IonicContact NE2-OE2 3.08Å; H52-E59 PolarHBondContact NE2-OE2 3.25Å; H52-E59 VanDerWaalsContact NE2-OE2 3.08Å; P54-E59 WeakPolarHBondContact CA-OE2 3.18Å; P54-E59 HydrophobicContact CB-CB 3.64Å; P54-E59 WeakPolarHBondContact CB-O 3.07Å; L55-E59 PolarHBondContact N-OE2 2.95Å; E56-E59 HydrophobicContact CB-CG 4.12Å; E56-E59 VanDerWaalsContact O-CB 3.31Å; E56-E59 WeakPolarHBondContact O-CB 3.35Å; E56-E59 PolarHBondContact O-N 3.44Å; E59-W78 HydrophobicContact CG-CH2 4.23Å; E59-W78 HydrophobicContact CG-CZ3 3.81Å; E59-W78 VanDerWaalsContact OE1-CH2 3.26Å; E59-W78 WeakPolarHBondContact OE1-CH2 3.35Å; E59-F90 CarbonylContact C-O 3.54Å; E59-F90 WeakPolarHBondContact CA-O 3.24Å
60	L	87.5	Confident	87	Confident	12 Å²	12	56.1 Å²	56.1	6%	0.063	33%	0.333	C	S	.	.			trans	-113.2	129.1	-179.2	-164.5	67.8	0	0	0	111.5	H52 V62 I81 N83 E87 F90 I91	H52-L60 PolarHBondContact CD2-O 3.45Å; L60-V62 HydrophobicContact CD2-CG1 4.48Å; L60-V62 PolarHBondContact O-N 2.99Å; L60-I81 HydrophobicContact CB-CD1 4.36Å; L60-I81 HydrophobicContact CD2-CD1 3.54Å; L60-I81 HydrophobicContact CD2-CG1 3.98Å; L60-I81 HydrophobicContact CG-CD1 4.48Å; L60-N83 HydrophobicContact CD2-CB 3.71Å; L60-E87 HydrophobicContact CD1-CB 3.62Å; L60-E87 HydrophobicContact CD2-CB 4.38Å; L60-F90 PolarHBondContact N-O 2.94Å; L60-I91 HydrophobicContact CB-CG2 4.19Å; L60-I91 WeakPolarHBondContact O-CG2 3.34Å
61	A	90.5	Very high	86.9	Confident	57 Å²	57	52.1 Å²	52.1	47%	0.471	32%	0.316	S	S	.	.			trans	-65	125.4	171.1	0	0	0	0	0	109.9	H52 P54	H52-A61 WeakPolarHBondContact O-CA 3.28Å; P54-A61 HydrophobicContact CG-CB 3.99Å
62	V	89.2	Confident	86.5	Confident	9 Å²	9	50.4 Å²	50.4	6%	0.055	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-136.1	146.4	176.7	-66.8	0	0	0	0	110.8	V48 S51 H52 L60 V68 I81 I91	V48-V62 HydrophobicContact CB-CB 4.42Å; V48-V62 HydrophobicContact CB-CG2 4.49Å; V48-V62 HydrophobicContact CG1-CB 3.87Å; V48-V62 HydrophobicContact CG1-CG2 3.6Å; V48-V62 HydrophobicContact CG2-CB 3.84Å; V48-V62 HydrophobicContact CG2-CG1 4.16Å; V48-V62 HydrophobicContact CG2-CG2 4.06Å; S51-V62 CarbonylContact C-O 3.46Å; S51-V62 VanDerWaalsContact CA-O 3.24Å; S51-V62 WeakPolarHBondContact CA-O 3.19Å; H52-V62 HydrophobicContact CB-CG2 3.7Å; H52-V62 PolarHBondContact N-O 3.27Å; H52-V62 PolarHBondContact O-N 2.79Å; L60-V62 HydrophobicContact CD2-CG1 4.48Å; L60-V62 PolarHBondContact O-N 2.99Å; V62-V68 HydrophobicContact CG1-CG1 4.17Å; V62-I81 HydrophobicContact CG1-CD1 3.73Å; V62-I91 HydrophobicContact CG1-CG2 4.06Å; V62-I91 HydrophobicContact CG2-CD1 4.35Å; V62-I91 HydrophobicContact CG2-CG2 3.93Å
63	A	90.7	Very high	86.1	Confident	44 Å²	44	49.4 Å²	49.4	36%	0.364	29%	0.293	S	S	.	.			trans	-109.2	148.8	176	0	0	0	0	0	111.5	V48 G65 D66	V48-A63 VanDerWaalsContact CB-O 3.28Å; V48-A63 WeakPolarHBondContact CB-O 3.15Å; V48-A63 WeakPolarHBondContact CG1-O 3.16Å; A63-G65 PolarHBondContact O-N 3.1Å; A63-D66 WeakPolarHBondContact CB-OD2 3.45Å; A63-D66 PolarHBondContact N-OD2 2.83Å; A63-D66 VanDerWaalsContact O-CB 3.3Å; A63-D66 WeakPolarHBondContact O-CB 3.36Å; A63-D66 PolarHBondContact O-N 3.36Å
64	P	90.5	Very high	85.5	Confident	79 Å²	79	47.8 Å²	47.8	51%	0.513	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	128.5	173.9	-22	31.8	0	0	0	111
65	G	88.1	Confident	84.9	Confident	49 Å²	49	49.9 Å²	49.9	51%	0.505	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.5	-17.3	-176.2	0	0	0	0	0	114.3	V48 A63	V48-G65 PolarHBondContact O-N 2.97Å; A63-G65 PolarHBondContact O-N 3.1Å
66	D	88.8	Confident	84.3	Confident	57 Å²	57	44.8 Å²	44.8	31%	0.305	26%	0.257	S	S	.	.			trans	-61.8	142	178.4	-69.1	-11.3	0	0	0	111.2	S47 V48 A63 V68	S47-D66 WeakPolarHBondContact CA-O 3.44Å; V48-D66 HydrophobicContact CB-CB 4.16Å; V48-D66 HydrophobicContact CG2-CB 3.97Å; V48-D66 PolarHBondContact N-O 3.44Å; A63-D66 WeakPolarHBondContact CB-OD2 3.45Å; A63-D66 PolarHBondContact N-OD2 2.83Å; A63-D66 VanDerWaalsContact O-CB 3.3Å; A63-D66 WeakPolarHBondContact O-CB 3.36Å; A63-D66 PolarHBondContact O-N 3.36Å; D66-V68 HydrophobicContact CB-CG1 4.41Å
67	T	87.2	Confident	84.4	Confident	70 Å²	70	45.4 Å²	45.4	43%	0.429	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.8	175.4	-59.2	0	0	0	0	108.6	L46	L46-T67 WeakPolarHBondContact O-CA 3.43Å
68	V	87.9	Confident	84.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	161.2	-177.1	-57.1	0	0	0	0	109.7	L46 V48 V62 D66 I81 N83	L46-V68 HydrophobicContact CB-CG2 3.85Å; L46-V68 PolarHBondContact N-O 2.96Å; L46-V68 PolarHBondContact O-N 3.32Å; L46-V68 VanDerWaalsContact O-O 3.14Å; V48-V68 HydrophobicContact CG2-CG1 3.82Å; V48-V68 HydrophobicContact CG2-CG2 3.89Å; V62-V68 HydrophobicContact CG1-CG1 4.17Å; D66-V68 HydrophobicContact CB-CG1 4.41Å; V68-I81 HydrophobicContact CB-CB 4.2Å; V68-I81 HydrophobicContact CB-CD1 3.69Å; V68-I81 HydrophobicContact CB-CG2 4.47Å; V68-I81 HydrophobicContact CG1-CD1 3.67Å; V68-I81 HydrophobicContact CG2-CB 4.22Å; V68-I81 HydrophobicContact CG2-CD1 3.92Å; V68-I81 HydrophobicContact CG2-CG2 3.94Å; V68-N83 HydrophobicContact CG1-CB 4.35Å
69	F	87.1	Confident	85.1	Confident	33 Å²	33	44.1 Å²	44.1	15%	0.145	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	106.1	-177.4	-58.7	-72.6	0	0	0	110.3	I36 I38 A43 V44 P45 V71 I81 V82	I36-F69 HydrophobicContact CD1-CB 4.44Å; I36-F69 HydrophobicContact CD1-CD1 3.19Å; I36-F69 HydrophobicContact CD1-CD2 4.21Å; I36-F69 HydrophobicContact CD1-CE1 3.24Å; I36-F69 HydrophobicContact CD1-CE2 4.25Å; I36-F69 HydrophobicContact CD1-CG 3.7Å; I36-F69 HydrophobicContact CD1-CZ 3.79Å; I36-F69 HydrophobicContact CG1-CD1 3.86Å; I36-F69 HydrophobicContact CG1-CE1 4.15Å; I38-F69 HydrophobicContact CD1-CB 3.35Å; I38-F69 HydrophobicContact CD1-CD2 3.83Å; I38-F69 HydrophobicContact CD1-CG 3.69Å; A43-F69 HydrophobicContact CB-CB 4.15Å; V44-F69 CarbonylContact O-C 3.47Å; V44-F69 WeakPolarHBondContact O-CA 3.02Å; P45-F69 HydrophobicContact CB-CD1 4.19Å; P45-F69 HydrophobicContact CB-CE1 4.14Å; F69-V71 PolarHBondContact O-N 3.42Å; F69-I81 CarbonylContact O-C 3.56Å; F69-I81 VanDerWaalsContact O-CA 3.24Å; F69-I81 WeakPolarHBondContact O-CA 3.47Å; F69-V82 WeakPolarHBondContact CD2-O 3.31Å; F69-V82 PolarHBondContact N-O 3.3Å; F69-V82 PolarHBondContact O-N 3.23Å
70	G	87.1	Confident	85	Confident	7 Å²	7	45 Å²	45	7%	0.072	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	124.2	176.7	0	0	0	0	0	111.4	A43 V44	A43-G70 CarbonylContact C-O 3.55Å; A43-G70 VanDerWaalsContact CA-O 3.24Å; A43-G70 WeakPolarHBondContact CA-O 3.44Å; V44-G70 PolarHBondContact N-O 3.07Å; V44-G70 PolarHBondContact O-N 3.45Å
71	V	86.2	Confident	85.1	Confident	28 Å²	28	44.4 Å²	44.4	17%	0.17	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-37.5	179.7	-174.7	0	0	0	0	111.1	K41 A43 F69 Y80 V82	K41-V71 HydrophobicContact CB-CG1 4.19Å; K41-V71 HydrophobicContact CD-CG1 3.94Å; A43-V71 HydrophobicContact CB-CG2 4.11Å; F69-V71 PolarHBondContact O-N 3.42Å; V71-Y80 HydrophobicContact CB-CD1 4.17Å; V71-Y80 PolarHBondContact N-O 2.82Å; V71-V82 HydrophobicContact CG2-CG2 3.75Å
72	Y	80	Confident	84.9	Confident	50 Å²	50	42.1 Å²	42.1	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152	-176.8	177.7	-106.2	0	0	0	111.1	Y74 V79 Y80 F90	Y72-Y74 HydrophobicContact CE1-CD2 4.17Å; Y72-Y74 HydrophobicContact CE1-CG 4.46Å; Y72-V79 CarbonylContact O-C 3.49Å; Y72-V79 WeakPolarHBondContact O-CA 3.36Å; Y72-V79 WeakPolarHBondContact O-CG1 2.9Å; Y72-Y80 PolarHBondContact N-O 2.83Å; Y72-Y80 PolarHBondContact O-N 3.29Å; Y72-F90 HydrophobicContact CD1-CE1 4.45Å
73	C	81.7	Confident	84.7	Confident	4 Å²	4	42.3 Å²	42.3	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.8	170.7	179.3	0	0	0	0	110	W78 V79 L191 M194	C73-W78 CarbonylContact C-O 3.55Å; C73-W78 VanDerWaalsContact CA-O 3.25Å; C73-W78 WeakPolarHBondContact CA-O 3.36Å; C73-W78 PolarHBondContact SG-O 2.81Å; C73-V79 HydrophobicContact CB-CG2 4.26Å; C73-L191 HydrophobicContact CB-CD1 4.27Å; C73-L191 HydrophobicContact CB-CD2 3.17Å; C73-L191 HydrophobicContact CB-CG 3.61Å; C73-M194 PolarHBondContact SG-SD 3.38Å
74	Y	76.3	Confident	84.1	Confident	73 Å²	73	42.3 Å²	42.3	29%	0.286	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.8	-178.7	-177.1	-110.8	0	0	0	109.9	Y72 N76 D77 W78	Y72-Y74 HydrophobicContact CE1-CD2 4.17Å; Y72-Y74 HydrophobicContact CE1-CG 4.46Å; Y74-N76 PolarHBondContact O-N 3.32Å; Y74-D77 PolarHBondContact O-N 3.29Å; Y74-D77 VanDerWaalsContact O-N 3.11Å; Y74-W78 PolarHBondContact N-O 2.9Å; Y74-W78 PolarHBondContact O-N 2.81Å; Y74-W78 VanDerWaalsContact O-N 3.08Å
75	N	75.9	Confident	83.6	Confident	97 Å²	97	44.1 Å²	44.1	52%	0.519	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	12.5	176.5	-65.8	-10.1	0	0	0	117	D77	N75-D77 PolarHBondContact O-N 2.61Å
76	N	73.8	Confident	83.2	Confident	44 Å²	44	44 Å²	44	24%	0.235	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	-0.9	-170.4	-43.1	-65.4	0	0	0	116.2	Y74 A93 H190 M194	Y74-N76 PolarHBondContact O-N 3.32Å; N76-A93 WeakPolarHBondContact O-CB 3.47Å; N76-H190 PolarHBondContact ND2-CD2 2.91Å; N76-H190 PolarHBondContact ND2-NE2 2.95Å; N76-H190 PolarHBondContact OD1-CD2 3.04Å; N76-M194 WeakPolarHBondContact CA-SD 3.47Å; N76-M194 HydrophobicContact CB-CE 3.8Å; N76-M194 HydrophobicContact CB-CG 3.82Å; N76-M194 HydrophobicContact CB-SD 3.5Å; N76-M194 WeakPolarHBondContact CB-SD 3.1Å; N76-M194 WeakPolarHBondContact O-CE 3.5Å; N76-M194 WeakPolarHBondContact OD1-CG 3.08Å; N76-M194 PolarHBondContact OD1-SD 3.47Å
77	D	79.4	Confident	83	Confident	104 Å²	104	45.2 Å²	45.2	56%	0.556	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-26.4	-178	-62	-34.5	0	0	0	110.7	Y74 N75 P92 A93	Y74-D77 PolarHBondContact O-N 3.29Å; Y74-D77 VanDerWaalsContact O-N 3.11Å; N75-D77 PolarHBondContact O-N 2.61Å; D77-P92 CarbonylContact O-C 3.59Å; D77-P92 VanDerWaalsContact O-CA 3.26Å; D77-P92 WeakPolarHBondContact O-CA 3.08Å; D77-A93 PolarHBondContact O-N 2.77Å
78	W	85.3	Confident	83	Confident	79 Å²	79	45.3 Å²	45.3	30%	0.299	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.5	-173	-64.2	93.8	0	0	0	112	E59 C73 Y74 F90 I91 P92	E59-W78 HydrophobicContact CG-CH2 4.23Å; E59-W78 HydrophobicContact CG-CZ3 3.81Å; E59-W78 VanDerWaalsContact OE1-CH2 3.26Å; E59-W78 WeakPolarHBondContact OE1-CH2 3.35Å; C73-W78 CarbonylContact C-O 3.55Å; C73-W78 VanDerWaalsContact CA-O 3.25Å; C73-W78 WeakPolarHBondContact CA-O 3.36Å; C73-W78 PolarHBondContact SG-O 2.81Å; Y74-W78 PolarHBondContact N-O 2.9Å; Y74-W78 PolarHBondContact O-N 2.81Å; Y74-W78 VanDerWaalsContact O-N 3.08Å; W78-F90 HydrophobicContact CB-CD1 4.03Å; W78-F90 HydrophobicContact CE3-CB 3.96Å; W78-I91 CarbonylContact C-O 3.53Å; W78-I91 WeakPolarHBondContact CA-O 3.45Å; W78-P92 HydrophobicContact CE3-CG 4.39Å; W78-P92 HydrophobicContact CH2-CG 4.3Å; W78-P92 HydrophobicContact CZ3-CG 3.96Å
79	V	84.8	Confident	83	Confident	11 Å²	11	45.4 Å²	45.4	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.7	176.1	-177.3	0	0	0	0	108.4	L46 Y72 C73 I81 F90 I91 A93	L46-V79 HydrophobicContact CD1-CG1 4.03Å; Y72-V79 CarbonylContact O-C 3.49Å; Y72-V79 WeakPolarHBondContact O-CA 3.36Å; Y72-V79 WeakPolarHBondContact O-CG1 2.9Å; C73-V79 HydrophobicContact CB-CG2 4.26Å; V79-I81 HydrophobicContact CB-CG2 4.36Å; V79-I81 HydrophobicContact CG1-CG2 3.77Å; V79-I81 PolarHBondContact O-N 2.89Å; V79-F90 CarbonylContact O-C 3.57Å; V79-F90 VanDerWaalsContact O-CA 3.29Å; V79-F90 WeakPolarHBondContact O-CA 3.24Å; V79-I91 HydrophobicContact CB-CG1 4.49Å; V79-I91 PolarHBondContact N-O 2.62Å; V79-I91 PolarHBondContact O-N 2.91Å; V79-A93 HydrophobicContact CG2-CB 3.71Å
80	Y	87.6	Confident	83.1	Confident	38 Å²	38	44.8 Å²	44.8	15%	0.149	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	118.1	167.4	-167.1	-95.2	0	0	0	108.9	V71 Y72 E88 G89 F90	V71-Y80 HydrophobicContact CB-CD1 4.17Å; V71-Y80 PolarHBondContact N-O 2.82Å; Y72-Y80 PolarHBondContact N-O 2.83Å; Y72-Y80 PolarHBondContact O-N 3.29Å; Y80-E88 HydrophobicContact CE1-CB 3.89Å; Y80-E88 WeakPolarHBondContact CE1-OE2 3.13Å; Y80-E88 HydrophobicContact CE2-CB 4.47Å; Y80-E88 WeakPolarHBondContact OH-CB 2.84Å; Y80-E88 PolarHBondContact OH-OE2 2.98Å; Y80-G89 CarbonylContact C-O 3.35Å; Y80-G89 WeakPolarHBondContact CA-O 3.29Å; Y80-F90 HydrophobicContact CD2-CD1 4.22Å; Y80-F90 AromaticContact CD2-CD2 3.86Å; Y80-F90 HydrophobicContact CD2-CD2 3.86Å; Y80-F90 HydrophobicContact CD2-CE1 4.01Å; Y80-F90 AromaticContact CD2-CE2 3.64Å; Y80-F90 HydrophobicContact CD2-CE2 3.64Å; Y80-F90 HydrophobicContact CD2-CG 4.17Å; Y80-F90 AromaticContact CD2-CZ 3.73Å; Y80-F90 HydrophobicContact CD2-CZ 3.73Å; Y80-F90 HydrophobicContact CE2-CD2 4.48Å; Y80-F90 HydrophobicContact CE2-CE2 4.21Å; Y80-F90 HydrophobicContact CG-CE1 4.38Å; Y80-F90 HydrophobicContact CG-CZ 4.42Å
81	I	88.4	Confident	83.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	161.4	-177.4	60.7	152.3	0	0	0	110.9	L46 L60 V62 V68 F69 V79 E88 G89 I91	L46-I81 HydrophobicContact CD1-CG2 4.32Å; L60-I81 HydrophobicContact CB-CD1 4.36Å; L60-I81 HydrophobicContact CD2-CD1 3.54Å; L60-I81 HydrophobicContact CD2-CG1 3.98Å; L60-I81 HydrophobicContact CG-CD1 4.48Å; V62-I81 HydrophobicContact CG1-CD1 3.73Å; V68-I81 HydrophobicContact CB-CB 4.2Å; V68-I81 HydrophobicContact CB-CD1 3.69Å; V68-I81 HydrophobicContact CB-CG2 4.47Å; V68-I81 HydrophobicContact CG1-CD1 3.67Å; V68-I81 HydrophobicContact CG2-CB 4.22Å; V68-I81 HydrophobicContact CG2-CD1 3.92Å; V68-I81 HydrophobicContact CG2-CG2 3.94Å; F69-I81 CarbonylContact O-C 3.56Å; F69-I81 VanDerWaalsContact O-CA 3.24Å; F69-I81 WeakPolarHBondContact O-CA 3.47Å; V79-I81 HydrophobicContact CB-CG2 4.36Å; V79-I81 HydrophobicContact CG1-CG2 3.77Å; V79-I81 PolarHBondContact O-N 2.89Å; I81-E88 VanDerWaalsContact O-CA 3.28Å; I81-E88 WeakPolarHBondContact O-CA 3.45Å; I81-G89 VanDerWaalsContact CG1-O 3.24Å; I81-G89 WeakPolarHBondContact CG1-O 3.4Å; I81-G89 PolarHBondContact N-O 3.07Å; I81-G89 PolarHBondContact O-N 3.17Å; I81-I91 HydrophobicContact CD1-CD1 3.98Å; I81-I91 HydrophobicContact CD1-CG1 4.29Å; I81-I91 HydrophobicContact CD1-CG2 3.86Å; I81-I91 HydrophobicContact CG1-CD1 4.43Å; I81-I91 HydrophobicContact CG1-CG1 4.29Å; I81-I91 HydrophobicContact CG1-CG2 4.17Å; I81-I91 HydrophobicContact CG2-CD1 3.97Å; I81-I91 HydrophobicContact CG2-CG1 3.99Å
82	V	86.5	Confident	83.3	Confident	9 Å²	9	44.4 Å²	44.4	6%	0.055	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119	163.9	-176.4	0	0	0	0	107	I38 F69 V71 E87 E88	I38-V82 HydrophobicContact CD1-CB 4.02Å; I38-V82 HydrophobicContact CD1-CG1 4.35Å; I38-V82 HydrophobicContact CD1-CG2 4.4Å; I38-V82 HydrophobicContact CG2-CG1 4.49Å; I38-V82 HydrophobicContact CG2-CG2 4.4Å; F69-V82 WeakPolarHBondContact CD2-O 3.31Å; F69-V82 PolarHBondContact N-O 3.3Å; F69-V82 PolarHBondContact O-N 3.23Å; V71-V82 HydrophobicContact CG2-CG2 3.75Å; V82-E87 CarbonylContact C-O 3.51Å; V82-E87 WeakPolarHBondContact CA-O 3.15Å; V82-E88 HydrophobicContact CB-CG 4.41Å; V82-E88 HydrophobicContact CG1-CG 4.16Å; V82-E88 HydrophobicContact CG2-CB 4.28Å; V82-E88 HydrophobicContact CG2-CG 3.76Å
83	N	85.5	Confident	83.5	Confident	13 Å²	13	42.6 Å²	42.6	7%	0.07	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	168.1	174.6	-168.8	13.6	0	0	0	110.2	L60 V68 D85 G86 E87	L60-N83 HydrophobicContact CD2-CB 3.71Å; V68-N83 HydrophobicContact CG1-CB 4.35Å; N83-D85 PolarHBondContact ND2-OD2 3.18Å; N83-D85 PolarHBondContact O-N 3.19Å; N83-G86 PolarHBondContact O-N 2.72Å; N83-E87 PolarHBondContact N-O 3.28Å
84	C	79.1	Confident	83.7	Confident	44 Å²	44	47.4 Å²	47.4	30%	0.297	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.6	176.9	80.8	0	0	0	0	111.7	G86 C120	C84-G86 PolarHBondContact O-N 3.38Å; C84-G86 VanDerWaalsContact O-N 3.13Å; C84-C120 VanDerWaalsContact CA-SG 3.54Å; C84-C120 HydrophobicContact CB-CB 3.58Å; C84-C120 WeakPolarHBondContact CB-SG 3.24Å; C84-C120 PolarHBondContact O-SG 3.26Å
85	D	79.3	Confident	84.2	Confident	117 Å²	117	44.1 Å²	44.1	63%	0.626	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.5	173.6	-59.6	-75.6	0	0	0	114.6	N83 E87	N83-D85 PolarHBondContact ND2-OD2 3.18Å; N83-D85 PolarHBondContact O-N 3.19Å; D85-E87 HydrophobicContact CB-CG 4.13Å; D85-E87 PolarHBondContact O-N 2.85Å
86	G	80.5	Confident	84.6	Confident	45 Å²	45	40.4 Å²	40.4	46%	0.464	23%	0.226	S	C	.	.	S	Bend	trans	78.6	3.8	-174.9	0	0	0	0	0	113.6	N83 C84	N83-G86 PolarHBondContact O-N 2.72Å; C84-G86 PolarHBondContact O-N 3.38Å; C84-G86 VanDerWaalsContact O-N 3.13Å
87	E	83.9	Confident	85	Confident	83 Å²	83	42.2 Å²	42.2	39%	0.388	24%	0.238	S	C	.	.			trans	-70.7	136	171.3	-58.9	-174.8	151.5	0	0	109.8	L60 V82 N83 D85	L60-E87 HydrophobicContact CD1-CB 3.62Å; L60-E87 HydrophobicContact CD2-CB 4.38Å; V82-E87 CarbonylContact C-O 3.51Å; V82-E87 WeakPolarHBondContact CA-O 3.15Å; N83-E87 PolarHBondContact N-O 3.28Å; D85-E87 HydrophobicContact CB-CG 4.13Å; D85-E87 PolarHBondContact O-N 2.85Å
88	E	87.3	Confident	84.6	Confident	72 Å²	72	41.2 Å²	41.2	34%	0.336	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.1	-179.4	-42.9	-166.4	165.2	0	0	109.9	Y80 I81 V82	Y80-E88 HydrophobicContact CE1-CB 3.89Å; Y80-E88 WeakPolarHBondContact CE1-OE2 3.13Å; Y80-E88 HydrophobicContact CE2-CB 4.47Å; Y80-E88 WeakPolarHBondContact OH-CB 2.84Å; Y80-E88 PolarHBondContact OH-OE2 2.98Å; I81-E88 VanDerWaalsContact O-CA 3.28Å; I81-E88 WeakPolarHBondContact O-CA 3.45Å; V82-E88 HydrophobicContact CB-CG 4.41Å; V82-E88 HydrophobicContact CG1-CG 4.16Å; V82-E88 HydrophobicContact CG2-CB 4.28Å; V82-E88 HydrophobicContact CG2-CG 3.76Å
89	G	87.6	Confident	83.6	Confident	2 Å²	2	42.9 Å²	42.9	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.2	177.5	176.1	0	0	0	0	0	112.8	D58 Y80 I81	D58-G89 CarbonylContact O-C 3.53Å; D58-G89 WeakPolarHBondContact O-CA 2.99Å; Y80-G89 CarbonylContact C-O 3.35Å; Y80-G89 WeakPolarHBondContact CA-O 3.29Å; I81-G89 VanDerWaalsContact CG1-O 3.24Å; I81-G89 WeakPolarHBondContact CG1-O 3.4Å; I81-G89 PolarHBondContact N-O 3.07Å; I81-G89 PolarHBondContact O-N 3.17Å
90	F	89.2	Confident	82.2	Confident	20 Å²	20	47.8 Å²	47.8	9%	0.088	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	143.7	178.7	-70	-82.9	0	0	0	110.8	D58 E59 L60 Y72 W78 V79 Y80 V140	D58-F90 HydrophobicContact CB-CD2 3.93Å; D58-F90 HydrophobicContact CB-CE2 4.42Å; D58-F90 WeakPolarHBondContact O-CD2 3.24Å; D58-F90 PolarHBondContact O-N 3.16Å; E59-F90 CarbonylContact C-O 3.54Å; E59-F90 WeakPolarHBondContact CA-O 3.24Å; L60-F90 PolarHBondContact N-O 2.94Å; Y72-F90 HydrophobicContact CD1-CE1 4.45Å; W78-F90 HydrophobicContact CB-CD1 4.03Å; W78-F90 HydrophobicContact CE3-CB 3.96Å; V79-F90 CarbonylContact O-C 3.57Å; V79-F90 VanDerWaalsContact O-CA 3.29Å; V79-F90 WeakPolarHBondContact O-CA 3.24Å; Y80-F90 HydrophobicContact CD2-CD1 4.22Å; Y80-F90 AromaticContact CD2-CD2 3.86Å; Y80-F90 HydrophobicContact CD2-CD2 3.86Å; Y80-F90 HydrophobicContact CD2-CE1 4.01Å; Y80-F90 AromaticContact CD2-CE2 3.64Å; Y80-F90 HydrophobicContact CD2-CE2 3.64Å; Y80-F90 HydrophobicContact CD2-CG 4.17Å; Y80-F90 AromaticContact CD2-CZ 3.73Å; Y80-F90 HydrophobicContact CD2-CZ 3.73Å; Y80-F90 HydrophobicContact CE2-CD2 4.48Å; Y80-F90 HydrophobicContact CE2-CE2 4.21Å; Y80-F90 HydrophobicContact CG-CE1 4.38Å; Y80-F90 HydrophobicContact CG-CZ 4.42Å; F90-V140 HydrophobicContact CE2-CG2 4.03Å; F90-V140 HydrophobicContact CZ-CG2 3.54Å
91	I	88.4	Confident	80.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.3	166.5	62.3	169.2	0	0	0	108.2	L60 V62 W78 V79 I81 A93 C96	L60-I91 HydrophobicContact CB-CG2 4.19Å; L60-I91 WeakPolarHBondContact O-CG2 3.34Å; V62-I91 HydrophobicContact CG1-CG2 4.06Å; V62-I91 HydrophobicContact CG2-CD1 4.35Å; V62-I91 HydrophobicContact CG2-CG2 3.93Å; W78-I91 CarbonylContact C-O 3.53Å; W78-I91 WeakPolarHBondContact CA-O 3.45Å; V79-I91 HydrophobicContact CB-CG1 4.49Å; V79-I91 PolarHBondContact N-O 2.62Å; V79-I91 PolarHBondContact O-N 2.91Å; I81-I91 HydrophobicContact CD1-CD1 3.98Å; I81-I91 HydrophobicContact CD1-CG1 4.29Å; I81-I91 HydrophobicContact CD1-CG2 3.86Å; I81-I91 HydrophobicContact CG1-CD1 4.43Å; I81-I91 HydrophobicContact CG1-CG1 4.29Å; I81-I91 HydrophobicContact CG1-CG2 4.17Å; I81-I91 HydrophobicContact CG2-CD1 3.97Å; I81-I91 HydrophobicContact CG2-CG1 3.99Å; I91-A93 PolarHBondContact O-N 3.43Å; I91-C96 HydrophobicContact CD1-CB 3.95Å
92	P	88.3	Confident	78.3	Confident	27 Å²	27	57.5 Å²	57.5	18%	0.175	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	134.4	171.2	-26	34.8	0	0	0	110.2	H52 D77 W78 T94 A95	H52-P92 VanDerWaalsContact CE1-CD 3.45Å; H52-P92 WeakPolarHBondContact CE1-CD 3.28Å; H52-P92 WeakPolarHBondContact ND1-CD 3.34Å; D77-P92 CarbonylContact O-C 3.59Å; D77-P92 VanDerWaalsContact O-CA 3.26Å; D77-P92 WeakPolarHBondContact O-CA 3.08Å; W78-P92 HydrophobicContact CE3-CG 4.39Å; W78-P92 HydrophobicContact CH2-CG 4.3Å; W78-P92 HydrophobicContact CZ3-CG 3.96Å; P92-T94 PolarHBondContact O-N 3.11Å; P92-T94 VanDerWaalsContact O-N 3.11Å; P92-A95 HydrophobicContact CB-CB 4.43Å; P92-A95 VanDerWaalsContact O-CB 3.3Å; P92-A95 WeakPolarHBondContact O-CB 3.38Å; P92-A95 PolarHBondContact O-N 2.84Å
93	A	84.8	Confident	76.4	Confident	13 Å²	13	65.9 Å²	65.9	11%	0.107	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-58.3	-29.3	178.9	0	0	0	0	0	112.1	N76 D77 V79 I91 A95 C96 M194	N76-A93 WeakPolarHBondContact O-CB 3.47Å; D77-A93 PolarHBondContact O-N 2.77Å; V79-A93 HydrophobicContact CG2-CB 3.71Å; I91-A93 PolarHBondContact O-N 3.43Å; A93-A95 PolarHBondContact O-N 3.23Å; A93-C96 PolarHBondContact O-N 3.39Å; A93-C96 PolarHBondContact O-SG 3.47Å; A93-M194 HydrophobicContact CB-CE 3.55Å
94	T	85.8	Confident	74.3	Confident	105 Å²	105	76 Å²	76	64%	0.644	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-65.6	-22.7	175.1	52.7	0	0	0	0	113.7	P92 C96	P92-T94 PolarHBondContact O-N 3.11Å; P92-T94 VanDerWaalsContact O-N 3.11Å; T94-C96 VanDerWaalsContact C-N 3.26Å; T94-C96 PolarHBondContact O-N 2.76Å
95	A	86.4	Confident	72.6	Confident	3 Å²	3	83.4 Å²	83.4	3%	0.025	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-80.5	-5.9	179.5	0	0	0	0	0	113.2	V48 S49 Q50 P92 A93	V48-A95 CarbonylContact C-O 3.49Å; V48-A95 WeakPolarHBondContact CA-O 3.38Å; S49-A95 PolarHBondContact N-O 3.04Å; S49-A95 PolarHBondContact OG-O 2.94Å; Q50-A95 HydrophobicContact CB-CB 4.26Å; Q50-A95 PolarHBondContact N-O 2.65Å; P92-A95 HydrophobicContact CB-CB 4.43Å; P92-A95 VanDerWaalsContact O-CB 3.3Å; P92-A95 WeakPolarHBondContact O-CB 3.38Å; P92-A95 PolarHBondContact O-N 2.84Å; A93-A95 PolarHBondContact O-N 3.23Å
96	C	85.7	Confident	70.8	Confident	20 Å²	20	85.8 Å²	85.8	14%	0.135	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151	-176.6	71.4	0	0	0	0	113	L46 S47 I91 A93 T94	L46-C96 HydrophobicContact CB-CB 4.33Å; L46-C96 HydrophobicContact CD1-CB 4.33Å; S47-C96 CarbonylContact O-C 3.59Å; S47-C96 WeakPolarHBondContact O-CA 3.43Å; I91-C96 HydrophobicContact CD1-CB 3.95Å; A93-C96 PolarHBondContact O-N 3.39Å; A93-C96 PolarHBondContact O-SG 3.47Å; T94-C96 VanDerWaalsContact C-N 3.26Å; T94-C96 PolarHBondContact O-N 2.76Å
97	V	80.6	Confident	68.7	Low	82 Å²	82	89.3 Å²	89.3	50%	0.497	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.6	178.9	-178.7	0	0	0	0	108.8	S47 K99	S47-V97 PolarHBondContact N-O 2.81Å; S47-V97 PolarHBondContact O-N 3.3Å; V97-K99 PolarHBondContact O-N 3.44Å
98	Y	73	Confident	66.5	Low	82 Å²	82	95.3 Å²	95.3	32%	0.322	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	114.8	176.6	176.7	-120.6	0	0	0	111.5	A34 V44 P45 L46 R100	A34-Y98 WeakPolarHBondContact CB-OH 3.42Å; V44-Y98 HydrophobicContact CG1-CD2 3.32Å; V44-Y98 HydrophobicContact CG1-CE2 3.21Å; P45-Y98 WeakPolarHBondContact O-CD2 3.4Å; L46-Y98 HydrophobicContact CD2-CD2 4.17Å; Y98-R100 HydrophobicContact CD1-CB 4.31Å; Y98-R100 HydrophobicContact CE1-CB 3.8Å; Y98-R100 HydrophobicContact CE1-CG 4.15Å; Y98-R100 PolarHBondContact O-N 2.84Å
99	K	63.1	Low	63.9	Low	115 Å²	115	96.7 Å²	96.7	50%	0.5	47%	0.473	S	S	.	.			trans	-86.8	97	172.6	-88.6	-174.5	179.3	155.8	0	109.7	S47 V97 S101	S47-K99 VanDerWaalsContact CB-CE 3.43Å; S47-K99 WeakPolarHBondContact OG-CE 3.08Å; S47-K99 PolarHBondContact OG-NZ 3.3Å; V97-K99 PolarHBondContact O-N 3.44Å; K99-S101 PolarHBondContact O-N 3.34Å
100	R	55.6	Low	61.2	Low	114 Å²	114	102.1 Å²	102.1	43%	0.43	51%	0.509	S	S	.	.			trans	-74.1	109.1	168.3	-164.2	176.1	-172.4	148.4	-2.8	109.3	Y98 R102 L209	Y98-R100 HydrophobicContact CD1-CB 4.31Å; Y98-R100 HydrophobicContact CE1-CB 3.8Å; Y98-R100 HydrophobicContact CE1-CG 4.15Å; Y98-R100 PolarHBondContact O-N 2.84Å; R100-R102 PolarHBondContact O-N 2.82Å; R100-L209 PolarHBondContact NH1-O 3.21Å
101	S	47.1	Very low	58.8	Low	102 Å²	102	107.2 Å²	107.2	71%	0.713	54%	0.544	S	S	*	.			trans	-62.3	104.7	170.6	-54.9	0	0	0	0	109.4	K99 K103	K99-S101 PolarHBondContact O-N 3.34Å; S101-K103 PolarHBondContact O-N 3.34Å
102	R	47.6	Very low	56.4	Low	140 Å²	140	112.9 Å²	112.9	53%	0.528	58%	0.581	S	S	.	*			trans	-68.3	106	167.9	-61.9	-161.8	-163.4	175.8	15.4	107.3	R100 R104 E206	R100-R102 PolarHBondContact O-N 2.82Å; R102-R104 PolarHBondContact O-N 2.81Å; R102-E206 IonicContact CZ-OE1 3.69Å; R102-E206 IonicContact NH2-OE1 2.74Å; R102-E206 PolarHBondContact NH2-OE1 3.31Å; R102-E206 IonicContact NH2-OE2 3.06Å; R102-E206 PolarHBondContact NH2-OE2 2.98Å
103	K	45.7	Very low	53.7	Low	185 Å²	185	120.1 Å²	120.1	80%	0.804	61%	0.612	S	S	*	*			trans	-61	88.9	159.5	-99.5	179.6	173.3	169	0	107.4	S101 K105	S101-K103 PolarHBondContact O-N 3.34Å; K103-K105 PolarHBondContact O-N 3.12Å
104	R	42.4	Very low	51.2	Low	225 Å²	225	125.7 Å²	125.7	85%	0.849	65%	0.647	S	S	*	*			trans	-66.1	119.5	167.4	-70.8	178.3	67.7	155	-1.3	106.4	R102 L106	R102-R104 PolarHBondContact O-N 2.81Å; R104-L106 PolarHBondContact O-N 2.98Å; R104-L106 VanDerWaalsContact O-N 3.09Å
105	K	42.6	Very low	48.7	Very low	200 Å²	200	126 Å²	126	87%	0.87	65%	0.654	S	S	*	*			trans	-52.8	117.3	162.7	-79	-177.3	175.9	-176.9	0	106.8	K103 T107	K103-K105 PolarHBondContact O-N 3.12Å; K105-T107 PolarHBondContact O-N 3.26Å
106	L	40.8	Very low	46.2	Very low	166 Å²	166	129.2 Å²	129.2	87%	0.869	68%	0.68	S	S	*	*			trans	-65.2	95.3	178.2	-170.4	71.9	0	0	0	108.6	R104	R104-L106 PolarHBondContact O-N 2.98Å; R104-L106 VanDerWaalsContact O-N 3.09Å
107	T	36.5	Very low	43.8	Very low	120 Å²	120	135.1 Å²	135.1	74%	0.736	71%	0.711	S	S	*	*			trans	-86.8	119	159.8	52.2	0	0	0	0	107.1	K105 S109	K105-T107 PolarHBondContact O-N 3.26Å; T107-S109 PolarHBondContact O-N 2.76Å
108	K	38.1	Very low	41.9	Very low	209 Å²	209	141.7 Å²	141.7	91%	0.909	73%	0.733	S	S	*	*	S	Bend	trans	-44.3	100.7	179	-71.5	167.9	172.3	174.8	0	112.6
109	S	32.2	Very low	40.2	Very low	101 Å²	101	142.5 Å²	142.5	71%	0.706	76%	0.756	S	S	*	*			trans	-171	133.9	145.9	52.2	0	0	0	0	111.1	T107	T107-S109 PolarHBondContact O-N 2.76Å
110	C	32.4	Very low	38.7	Very low	116 Å²	116	139.3 Å²	139.3	78%	0.784	75%	0.748	S	S	*	*	S	Bend	trans	74.4	127.4	171.2	-53.1	0	0	0	0	116.9
111	P	37.2	Very low	37.6	Very low	126 Å²	126	141.9 Å²	141.9	82%	0.818	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-72.9	130.2	-170.5	29.7	-32.7	0	0	0	111.3
112	P	39.8	Very low	37	Very low	119 Å²	119	143.8 Å²	143.8	77%	0.773	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-79.6	124.5	173.9	29.9	-28.4	0	0	0	109.8
113	Q	31.1	Very low	36.3	Very low	179 Å²	179	143 Å²	143	84%	0.836	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-56.5	139.3	167.3	-93.2	-135.3	-45.8	0	0	111	S115	Q113-S115 VanDerWaalsContact C-N 3.31Å; Q113-S115 PolarHBondContact O-N 2.97Å
114	P	31.2	Very low	35.7	Very low	130 Å²	130	143.2 Å²	143.2	84%	0.844	78%	0.775	S	S	*	*			trans	-79.3	80.8	173	33.1	-30.5	0	0	0	108.9	A116	P114-A116 PolarHBondContact O-N 2.88Å
115	S	34.6	Very low	35.4	Very low	112 Å²	112	142.3 Å²	142.3	78%	0.783	78%	0.777	S	S	*	*			trans	-84.8	107.2	163	-169.4	0	0	0	0	107.9	Q113	Q113-S115 VanDerWaalsContact C-N 3.31Å; Q113-S115 PolarHBondContact O-N 2.97Å
116	A	32.3	Very low	34.7	Very low	70 Å²	70	139.7 Å²	139.7	58%	0.579	78%	0.779	S	S	*	*			trans	-43.1	137.3	172.4	0	0	0	0	0	110.6	P114	P114-A116 PolarHBondContact O-N 2.88Å
117	N	36.5	Very low	34.4	Very low	145 Å²	145	135.9 Å²	135.9	78%	0.775	77%	0.771	S	S	*	*				-179.4	91.1	92.2	-73.8	-34.6	0	0	0	108.3
118	F	41.2	Very low	34.3	Very low	219 Å²	219	140.3 Å²	140.3	96%	0.961	78%	0.78	S	S	*	*			trans	-119.2	25	166.9	-74.6	-73	0	0	0	111.7
119	A	36.8	Very low	33.8	Very low	99 Å²	99	133.9 Å²	133.9	82%	0.818	77%	0.773	S	S	*	*			trans	-119.9	95	175.5	0	0	0	0	0	107.9
120	C	31.7	Very low	33.6	Very low	49 Å²	49	140 Å²	140	33%	0.331	78%	0.781	S	S	.	*			trans	-128.7	93.4	160.8	-156.5	0	0	0	0	110	C84	C84-C120 VanDerWaalsContact CA-SG 3.54Å; C84-C120 HydrophobicContact CB-CB 3.58Å; C84-C120 WeakPolarHBondContact CB-SG 3.24Å; C84-C120 PolarHBondContact O-SG 3.26Å
121	F	32.8	Very low	33.6	Very low	168 Å²	168	138.6 Å²	138.6	74%	0.737	78%	0.777	S	S	*	*			trans	-165.6	83.6	159.5	-78.3	-65.7	0	0	0	106.4
122	N	33.2	Very low	33.6	Very low	142 Å²	142	133.9 Å²	133.9	76%	0.759	75%	0.749	S	S	*	*			trans	-165.8	125.5	152	-128.5	-3.9	0	0	0	113.8
123	N	33.3	Very low	33.7	Very low	123 Å²	123	129.8 Å²	129.8	66%	0.658	72%	0.724	S	S	*	*			trans	83.7	89.7	152.9	-60.7	-23.8	0	0	0	121.7
124	Q	32.9	Very low	34.3	Very low	190 Å²	190	126 Å²	126	89%	0.888	71%	0.714	S	S	*	*				31.9	101.2	127.4	-58.5	-176.5	18.9	0	0	118.1
125	K	35.9	Very low	35	Very low	205 Å²	205	126.5 Å²	126.5	89%	0.891	71%	0.706	S	S	*	*			trans	-137.7	139.9	150.7	-76.3	-173.5	-178.8	172.1	0	111.4
126	T	29.3	Very low	35.5	Very low	146 Å²	146	122.4 Å²	122.4	90%	0.896	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-80.6	118.1	-167.4	49.7	0	0	0	0	112.7
127	A	32.9	Very low	36.3	Very low	85 Å²	85	122.2 Å²	122.2	70%	0.702	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-102.4	124.9	166.8	0	0	0	0	0	110.7
128	K	35.4	Very low	36.9	Very low	213 Å²	213	120.6 Å²	120.6	93%	0.926	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-74.3	124.9	-179.9	-86.9	172.5	173.1	171.6	0	110.7
129	G	26.1	Very low	37.4	Very low	75 Å²	75	113.3 Å²	113.3	77%	0.773	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-71.5	145.9	-173.7	0	0	0	0	0	116.5
130	R	30	Very low	38.1	Very low	229 Å²	229	109.6 Å²	109.6	86%	0.864	60%	0.596	S	S	*	*			trans	-140.7	140.6	153.5	-81.2	-175.8	161.6	-177.9	-6.7	107.3	K57	K57-R130 WeakPolarHBondContact CB-O 3.5Å; K57-R130 WeakPolarHBondContact CG-O 3.3Å
131	A	30.4	Very low	38.9	Very low	86 Å²	86	110.5 Å²	110.5	71%	0.711	60%	0.597	S	S	*	*			trans	-99.4	136.4	-143.9	0	0	0	0	0	117.6	K57	K57-A131 WeakPolarHBondContact CD-O 3.48Å; K57-A131 WeakPolarHBondContact CE-O 3.41Å; K57-A131 VanDerWaalsContact CG-C 3.47Å; K57-A131 VanDerWaalsContact NZ-C 3.32Å; K57-A131 PolarHBondContact NZ-O 3.05Å
132	A	37.9	Very low	39.9	Very low	28 Å²	28	111 Å²	111	23%	0.231	60%	0.595	C	S	.	*			trans	23.8	117.2	152.1	0	0	0	0	0	121.8	K57 D58 L137	K57-A132 HydrophobicContact CD-CB 4.27Å; K57-A132 VanDerWaalsContact CD-N 3.26Å; K57-A132 HydrophobicContact CG-CB 3.82Å; K57-A132 PolarHBondContact NZ-O 3.26Å; D58-A132 WeakPolarHBondContact OD1-CB 3.38Å; D58-A132 WeakPolarHBondContact OD2-CB 3.28Å; A132-L137 HydrophobicContact CB-CB 4.13Å; A132-L137 HydrophobicContact CB-CD1 3.81Å; A132-L137 HydrophobicContact CB-CD2 3.82Å; A132-L137 HydrophobicContact CB-CG 4.11Å
133	S	42.5	Very low	40.7	Very low	33 Å²	33	106.7 Å²	106.7	23%	0.231	57%	0.569	C	S	.	*			trans	-77.3	120.7	167.4	-175.4	0	0	0	0	104.9	E56 D58 E135 G136 L137	E56-S133 VanDerWaalsContact OE2-CB 3.23Å; E56-S133 WeakPolarHBondContact OE2-CB 3.23Å; D58-S133 PolarHBondContact OD2-N 2.82Å; S133-E135 PolarHBondContact O-N 2.87Å; S133-E135 VanDerWaalsContact O-N 3.07Å; S133-G136 PolarHBondContact O-N 3.06Å; S133-L137 PolarHBondContact O-N 3.28Å; S133-L137 VanDerWaalsContact O-N 3.16Å
134	P	42.9	Very low	41.5	Very low	99 Å²	99	103.5 Å²	103.5	64%	0.643	55%	0.552	S	S	*	*	H	α-helix	trans	-58.8	-32.1	-160.7	18.7	-30	0	0	0	113.3	E138	P134-E138 WeakPolarHBondContact O-CB 3.19Å; P134-E138 WeakPolarHBondContact O-CG 3.25Å; P134-E138 PolarHBondContact O-N 2.8Å
135	E	47.3	Very low	42.3	Very low	141 Å²	141	101.2 Å²	101.2	66%	0.659	54%	0.539	S	S	*	.	H	α-helix	trans	-79.5	-33.1	-178	-71.7	171.3	162.1	0	0	113.8	S133 E138	S133-E135 PolarHBondContact O-N 2.87Å; S133-E135 VanDerWaalsContact O-N 3.07Å; E135-E138 VanDerWaalsContact O-CG 3.28Å; E135-E138 WeakPolarHBondContact O-CG 3.22Å
136	G	45.3	Very low	42.7	Very low	26 Å²	26	95.1 Å²	95.1	27%	0.268	52%	0.519	S	S	.	.	H	α-helix	trans	-73.7	-39.8	176	0	0	0	0	0	111.6	S133 V140	S133-G136 PolarHBondContact O-N 3.06Å; G136-V140 PolarHBondContact O-N 3.09Å
137	L	48.8	Very low	42.9	Very low	66 Å²	66	91.3 Å²	91.3	35%	0.346	49%	0.493	S	S	.	.	H	α-helix	trans	-74.2	-31.1	-177.7	-158.7	73.4	0	0	0	112.4	A132 S133 N141	A132-L137 HydrophobicContact CB-CB 4.13Å; A132-L137 HydrophobicContact CB-CD1 3.81Å; A132-L137 HydrophobicContact CB-CD2 3.82Å; A132-L137 HydrophobicContact CB-CG 4.11Å; S133-L137 PolarHBondContact O-N 3.28Å; S133-L137 VanDerWaalsContact O-N 3.16Å; L137-N141 WeakPolarHBondContact O-CB 3.26Å; L137-N141 PolarHBondContact O-N 2.96Å; L137-N141 PolarHBondContact O-ND2 3.15Å
138	E	48.9	Very low	43	Very low	111 Å²	111	90.7 Å²	90.7	52%	0.519	48%	0.483	S	S	.	.	H	α-helix	trans	-68.7	-34.8	177.2	68	178.1	-179.2	0	0	112.6	P134 E135 R142	P134-E138 WeakPolarHBondContact O-CB 3.19Å; P134-E138 WeakPolarHBondContact O-CG 3.25Å; P134-E138 PolarHBondContact O-N 2.8Å; E135-E138 VanDerWaalsContact O-CG 3.28Å; E135-E138 WeakPolarHBondContact O-CG 3.22Å; E138-R142 WeakPolarHBondContact O-CA 3.41Å; E138-R142 WeakPolarHBondContact O-CB 3.45Å; E138-R142 PolarHBondContact O-N 3.14Å
139	N	52.1	Low	43.2	Very low	65 Å²	65	84.1 Å²	84.1	35%	0.348	46%	0.461	S	S	.	.	H	α-helix	trans	-72.4	-40.7	178.7	-78.1	-31.6	0	0	0	111.7	F143	N139-F143 WeakPolarHBondContact O-CB 3.4Å; N139-F143 PolarHBondContact O-N 3.06Å
140	V	49.8	Very low	43.5	Very low	22 Å²	22	84.7 Å²	84.7	13%	0.133	45%	0.452	C	S	.	.	H	α-helix	trans	-65.1	-49.8	172.1	179.5	0	0	0	0	110	F90 G136 R142 F143 L144	F90-V140 HydrophobicContact CE2-CG2 4.03Å; F90-V140 HydrophobicContact CZ-CG2 3.54Å; G136-V140 PolarHBondContact O-N 3.09Å; V140-R142 VanDerWaalsContact C-N 3.32Å; V140-R142 PolarHBondContact O-N 2.91Å; V140-F143 PolarHBondContact O-N 2.84Å; V140-L144 HydrophobicContact CG1-CD1 3.74Å; V140-L144 HydrophobicContact CG1-CG 4.1Å; V140-L144 WeakPolarHBondContact O-CB 3.42Å; V140-L144 WeakPolarHBondContact O-CG 3.19Å; V140-L144 PolarHBondContact O-N 3.44Å
141	N	49	Very low	43.8	Very low	68 Å²	68	77.9 Å²	77.9	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-64.1	-34.9	178.5	-85	-40.4	0	0	0	112.7	L137 K145	L137-N141 WeakPolarHBondContact O-CB 3.26Å; L137-N141 PolarHBondContact O-N 2.96Å; L137-N141 PolarHBondContact O-ND2 3.15Å; N141-K145 WeakPolarHBondContact O-CB 3.42Å; N141-K145 WeakPolarHBondContact O-CD 3.28Å; N141-K145 WeakPolarHBondContact O-CG 3.32Å; N141-K145 PolarHBondContact O-N 3.01Å
142	R	54.5	Low	44	Very low	179 Å²	179	78.4 Å²	78.4	68%	0.675	43%	0.434	S	S	*	.	H	α-helix	trans	-66.5	-46.2	176	-172.1	177.4	-167.1	174.4	2.9	110	E138 V140 K145 T146	E138-R142 WeakPolarHBondContact O-CA 3.41Å; E138-R142 WeakPolarHBondContact O-CB 3.45Å; E138-R142 PolarHBondContact O-N 3.14Å; V140-R142 VanDerWaalsContact C-N 3.32Å; V140-R142 PolarHBondContact O-N 2.91Å; R142-K145 PolarHBondContact O-N 2.75Å; R142-T146 WeakPolarHBondContact O-CB 3.39Å; R142-T146 PolarHBondContact O-N 2.72Å; R142-T146 PolarHBondContact O-OG1 3.27Å
143	F	48.9	Very low	43.9	Very low	51 Å²	51	83.9 Å²	83.9	22%	0.224	46%	0.455	C	S	.	.	H	α-helix	trans	-63.7	-45	175.7	-176.2	-106.4	0	0	0	112.1	N139 V140 K145 T146 L147 F188	N139-F143 WeakPolarHBondContact O-CB 3.4Å; N139-F143 PolarHBondContact O-N 3.06Å; V140-F143 PolarHBondContact O-N 2.84Å; F143-K145 VanDerWaalsContact C-N 3.33Å; F143-K145 PolarHBondContact O-N 3.41Å; F143-T146 PolarHBondContact O-N 3.08Å; F143-L147 HydrophobicContact CD1-CD1 3.85Å; F143-L147 HydrophobicContact CD1-CG 4.41Å; F143-L147 HydrophobicContact CE1-CD1 3.31Å; F143-L147 HydrophobicContact CE1-CG 4.09Å; F143-L147 HydrophobicContact CE2-CD1 4.42Å; F143-L147 HydrophobicContact CE2-CG 4.41Å; F143-L147 HydrophobicContact CZ-CD1 3.63Å; F143-L147 HydrophobicContact CZ-CD2 4.29Å; F143-L147 HydrophobicContact CZ-CG 4.08Å; F143-L147 WeakPolarHBondContact O-CG 3.06Å; F143-L147 PolarHBondContact O-N 2.79Å; F143-F188 HydrophobicContact CE2-CE2 4.32Å; F143-F188 AromaticContact CZ-CE2 3.93Å; F143-F188 HydrophobicContact CZ-CE2 3.93Å; F143-F188 AromaticContact CZ-CZ 3.88Å; F143-F188 HydrophobicContact CZ-CZ 3.88Å
144	L	50.7	Low	43.3	Very low	56 Å²	56	92.5 Å²	92.5	29%	0.293	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-37	175.7	-66.5	-178.1	0	0	0	112.3	K41 V140 S148	K41-L144 VanDerWaalsContact CE-CD2 3.47Å; V140-L144 HydrophobicContact CG1-CD1 3.74Å; V140-L144 HydrophobicContact CG1-CG 4.1Å; V140-L144 WeakPolarHBondContact O-CB 3.42Å; V140-L144 WeakPolarHBondContact O-CG 3.19Å; V140-L144 PolarHBondContact O-N 3.44Å; L144-S148 WeakPolarHBondContact O-CB 3.44Å; L144-S148 PolarHBondContact O-N 3.49Å
145	K	49.1	Very low	42.7	Very low	142 Å²	142	93.2 Å²	93.2	62%	0.617	49%	0.486	S	S	*	.	H	α-helix	trans	-65.9	-46.8	172.3	-78.6	170.8	-178.8	-177.5	0	111.4	N141 R142 F143 L147 S148 V149	N141-K145 WeakPolarHBondContact O-CB 3.42Å; N141-K145 WeakPolarHBondContact O-CD 3.28Å; N141-K145 WeakPolarHBondContact O-CG 3.32Å; N141-K145 PolarHBondContact O-N 3.01Å; R142-K145 PolarHBondContact O-N 2.75Å; F143-K145 VanDerWaalsContact C-N 3.33Å; F143-K145 PolarHBondContact O-N 3.41Å; K145-L147 VanDerWaalsContact C-N 3.27Å; K145-L147 PolarHBondContact O-N 3.25Å; K145-S148 WeakPolarHBondContact O-CB 3.18Å; K145-S148 PolarHBondContact O-N 3.47Å; K145-S148 VanDerWaalsContact O-N 3.1Å; K145-V149 WeakPolarHBondContact O-CG2 3.33Å; K145-V149 PolarHBondContact O-N 3.38Å
146	T	45.3	Very low	42	Very low	76 Å²	76	92 Å²	92	47%	0.466	49%	0.493	S	S	.	.	H	α-helix	trans	-59.6	-39.8	176.8	-54	0	0	0	0	111.1	R142 F143 V149 C150	R142-T146 WeakPolarHBondContact O-CB 3.39Å; R142-T146 PolarHBondContact O-N 2.72Å; R142-T146 PolarHBondContact O-OG1 3.27Å; F143-T146 PolarHBondContact O-N 3.08Å; T146-V149 PolarHBondContact O-N 2.75Å; T146-C150 PolarHBondContact O-N 3.48Å; T146-C150 PolarHBondContact O-SG 3.23Å
147	L	34.4	Very low	41.3	Very low	67 Å²	67	97 Å²	97	35%	0.351	52%	0.524	S	S	.	.	H	α-helix	trans	-70.8	-31.8	175.4	-69.5	-178	0	0	0	113.5	F143 K145 C150 S151	F143-L147 HydrophobicContact CD1-CD1 3.85Å; F143-L147 HydrophobicContact CD1-CG 4.41Å; F143-L147 HydrophobicContact CE1-CD1 3.31Å; F143-L147 HydrophobicContact CE1-CG 4.09Å; F143-L147 HydrophobicContact CE2-CD1 4.42Å; F143-L147 HydrophobicContact CE2-CG 4.41Å; F143-L147 HydrophobicContact CZ-CD1 3.63Å; F143-L147 HydrophobicContact CZ-CD2 4.29Å; F143-L147 HydrophobicContact CZ-CG 4.08Å; F143-L147 WeakPolarHBondContact O-CG 3.06Å; F143-L147 PolarHBondContact O-N 2.79Å; K145-L147 VanDerWaalsContact C-N 3.27Å; K145-L147 PolarHBondContact O-N 3.25Å; L147-C150 PolarHBondContact O-N 3.45Å; L147-S151 PolarHBondContact O-N 3.16Å; L147-S151 VanDerWaalsContact O-N 3.14Å; L147-S151 PolarHBondContact O-OG 3.34Å
148	S	34.7	Very low	40.6	Very low	72 Å²	72	97.3 Å²	97.3	50%	0.503	54%	0.544	S	S	.	.	H	α-helix	trans	-66.2	-41.2	173.3	-170.8	0	0	0	0	111.3	L144 K145 C150 S151 T152	L144-S148 WeakPolarHBondContact O-CB 3.44Å; L144-S148 PolarHBondContact O-N 3.49Å; K145-S148 WeakPolarHBondContact O-CB 3.18Å; K145-S148 PolarHBondContact O-N 3.47Å; K145-S148 VanDerWaalsContact O-N 3.1Å; S148-C150 VanDerWaalsContact C-N 3.35Å; S148-S151 PolarHBondContact O-N 3.35Å; S148-S151 VanDerWaalsContact O-N 3.09Å; S148-T152 PolarHBondContact O-N 2.91Å; S148-T152 PolarHBondContact O-OG1 2.8Å
149	V	38.1	Very low	39.9	Very low	75 Å²	75	97.2 Å²	97.2	46%	0.455	56%	0.555	S	S	.	*	H	α-helix	trans	-63.7	-41.6	175.3	175.3	0	0	0	0	110.6	K145 T146 S151 T152 E153	K145-V149 WeakPolarHBondContact O-CG2 3.33Å; K145-V149 PolarHBondContact O-N 3.38Å; T146-V149 PolarHBondContact O-N 2.75Å; V149-S151 PolarHBondContact O-N 3.24Å; V149-T152 PolarHBondContact O-N 3.23Å; V149-T152 PolarHBondContact O-OG1 2.81Å; V149-E153 WeakPolarHBondContact CG1-OE1 3.49Å
150	C	33.3	Very low	39.2	Very low	86 Å²	86	102.3 Å²	102.3	58%	0.581	58%	0.581	S	S	*	*	H	α-helix	trans	-66.1	-16.8	173.9	-67.8	0	0	0	0	114.2	T146 L147 S148	T146-C150 PolarHBondContact O-N 3.48Å; T146-C150 PolarHBondContact O-SG 3.23Å; L147-C150 PolarHBondContact O-N 3.45Å; S148-C150 VanDerWaalsContact C-N 3.35Å
151	S	35.8	Very low	38.6	Very low	87 Å²	87	108.3 Å²	108.3	61%	0.608	61%	0.611	S	S	*	*	H	α-helix	trans	-92.4	-19.7	178	-57	0	0	0	0	112.9	L147 S148 V149	L147-S151 PolarHBondContact O-N 3.16Å; L147-S151 VanDerWaalsContact O-N 3.14Å; L147-S151 PolarHBondContact O-OG 3.34Å; S148-S151 PolarHBondContact O-N 3.35Å; S148-S151 VanDerWaalsContact O-N 3.09Å; V149-S151 PolarHBondContact O-N 3.24Å
152	T	35.7	Very low	38	Very low	97 Å²	97	109.9 Å²	109.9	60%	0.595	63%	0.628	S	S	*	*	H	α-helix	trans	-90.3	-10.8	179.7	42.9	0	0	0	0	114.2	S148 V149	S148-T152 PolarHBondContact O-N 2.91Å; S148-T152 PolarHBondContact O-OG1 2.8Å; V149-T152 PolarHBondContact O-N 3.23Å; V149-T152 PolarHBondContact O-OG1 2.81Å
153	E	34.2	Very low	37.3	Very low	143 Å²	143	108.8 Å²	108.8	67%	0.668	63%	0.63	S	S	*	*	S	Bend	trans	-102.3	9.2	-174	-62.7	-171.7	-162.8	0	0	114.6	V149	V149-E153 WeakPolarHBondContact CG1-OE1 3.49Å
154	Y	31.1	Very low	37	Very low	213 Å²	213	113.3 Å²	113.3	84%	0.835	65%	0.652	S	S	*	*	S	Bend	trans	-126.6	42.5	172.8	-85.6	-89.6	0	0	0	112.2
155	T	30.1	Very low	36.5	Very low	115 Å²	115	118 Å²	118	71%	0.706	68%	0.677	S	S	*	*	S	Bend	trans	-144.5	45	169.4	59.9	0	0	0	0	112.3
156	S	31.4	Very low	36.3	Very low	115 Å²	115	116.5 Å²	116.5	80%	0.804	69%	0.691	S	S	*	*	S	Bend	trans	-160.2	130.6	162.3	-100.2	0	0	0	0	110.1
157	S	32.6	Very low	36	Very low	130 Å²	130	121.9 Å²	121.9	91%	0.909	71%	0.708	S	S	*	*			trans	81.2	82.4	167	-44.7	0	0	0	0	116.3
158	G	32.4	Very low	36.4	Very low	74 Å²	74	123.6 Å²	123.6	76%	0.763	72%	0.721	S	S	*	*			trans	-163.2	34.9	168.1	0	0	0	0	0	113.6	L160	G158-L160 PolarHBondContact O-N 2.77Å
159	S	34.7	Very low	36.4	Very low	109 Å²	109	129 Å²	129	76%	0.762	74%	0.739	S	S	*	*			trans	-75.3	99.6	168.7	-172.8	0	0	0	0	108.1	I161	S159-I161 PolarHBondContact O-N 3.25Å; S159-I161 VanDerWaalsContact O-N 3.12Å
160	L	36.8	Very low	36.2	Very low	171 Å²	171	136 Å²	136	90%	0.895	76%	0.758	S	S	*	*			trans	-72.6	93.9	166.2	-82.3	169.9	0	0	0	108.3	G158	G158-L160 PolarHBondContact O-N 2.77Å
161	I	37.3	Very low	36.3	Very low	149 Å²	149	137.7 Å²	137.7	76%	0.764	77%	0.771	S	S	*	*			trans	-78.9	125.8	161.9	-55.4	168.5	0	0	0	106.4	S159	S159-I161 PolarHBondContact O-N 3.25Å; S159-I161 VanDerWaalsContact O-N 3.12Å
162	S	36.4	Very low	36.7	Very low	101 Å²	101	138.4 Å²	138.4	71%	0.706	77%	0.774	S	S	*	*			trans	-76.8	149.9	174.5	-58.3	0	0	0	0	111
163	H	39.8	Very low	37	Very low	155 Å²	155	143 Å²	143	72%	0.718	79%	0.788	S	S	*	*			trans	87.5	112.8	152.7	-113.5	-113.9	0	0	0	118.9
164	E	42.8	Very low	37.2	Very low	147 Å²	147	141.2 Å²	141.2	69%	0.687	79%	0.792	S	S	*	*			trans	66.8	126.4	135.6	78.4	-161.6	139.2	0	0	122.5
165	D	41.5	Very low	37.9	Very low	153 Å²	153	136.5 Å²	136.5	82%	0.818	79%	0.79	S	S	*	*			trans	61.5	96.6	149.8	-66.9	-53.5	0	0	0	120.4
166	A	43.6	Very low	38.6	Very low	111 Å²	111	136.1 Å²	136.1	92%	0.917	79%	0.789	S	S	*	*				179.8	153.4	121	0	0	0	0	0	113
167	K	40.3	Very low	39	Very low	190 Å²	190	135.9 Å²	135.9	83%	0.826	79%	0.785	S	S	*	*			trans	-97.1	156.3	-159.9	-165	-158.4	172	-165.9	0	111.5
168	V	42	Very low	39	Very low	103 Å²	103	135.4 Å²	135.4	62%	0.624	78%	0.776	S	S	*	*			trans	83.3	135.4	155.2	-169.3	0	0	0	0	115.7
169	Q	34.7	Very low	39	Very low	186 Å²	186	140.6 Å²	140.6	87%	0.869	78%	0.779	S	S	*	*			cis	-157.6	153.4	7.7	-132.9	157.5	-30.9	0	0	109.7
170	Y	32.9	Very low	38.9	Very low	220 Å²	220	145.7 Å²	145.7	86%	0.863	78%	0.782	S	S	*	*			trans	-71.6	152.8	174.3	-100.9	-106.5	0	0	0	114.4
171	S	37.2	Very low	38.6	Very low	122 Å²	122	146.5 Å²	146.5	85%	0.853	78%	0.782	S	S	*	*			trans	-150.7	123.2	136.5	-156.4	0	0	0	0	110.4
172	P	42.8	Very low	38.5	Very low	102 Å²	102	145.4 Å²	145.4	66%	0.662	78%	0.782	S	S	*	*			trans	-105.3	134.3	-178.8	35.7	-25.3	0	0	0	112
173	E	43.2	Very low	38.4	Very low	193 Å²	193	145.1 Å²	145.1	90%	0.902	78%	0.78	S	S	*	*			trans	-147.5	126.1	162.3	-137.3	-179.3	140.5	0	0	112.4
174	S	38.2	Very low	38.5	Very low	106 Å²	106	143 Å²	143	74%	0.741	78%	0.782	S	S	*	*			trans	69.5	92.7	149	175.2	0	0	0	0	119.6
175	S	44.3	Very low	38.6	Very low	114 Å²	114	140.3 Å²	140.3	80%	0.797	77%	0.773	S	S	*	*			trans	-165.9	139.8	134.3	-77.4	0	0	0	0	111.1
176	P	45.1	Very low	38.9	Very low	107 Å²	107	137 Å²	137	70%	0.695	76%	0.758	S	S	*	*			trans	-75.4	159.4	-172.6	32.3	-34.6	0	0	0	112.5	V178	P176-V178 PolarHBondContact O-N 3.49Å
177	P	40.3	Very low	38.9	Very low	110 Å²	110	132.4 Å²	132.4	71%	0.714	72%	0.72	S	S	*	*			trans	-68.4	115.5	177.2	28.5	-31.9	0	0	0	109.9	F179	P177-F179 PolarHBondContact O-N 3.35Å
178	V	33.1	Very low	39.1	Very low	120 Å²	120	126.7 Å²	126.7	73%	0.727	70%	0.695	S	S	*	*			trans	-73.7	112.5	168.8	-178.5	0	0	0	0	107.6	P176 Y180	P176-V178 PolarHBondContact O-N 3.49Å; V178-Y180 PolarHBondContact O-N 3.22Å
179	F	32.9	Very low	39.2	Very low	184 Å²	184	124 Å²	124	81%	0.807	68%	0.677	S	S	*	*			trans	-65.2	115.9	170.6	-76.7	-93.6	0	0	0	109.2	P177 E181	P177-F179 PolarHBondContact O-N 3.35Å; F179-E181 PolarHBondContact O-N 2.94Å; F179-E181 VanDerWaalsContact O-N 3.15Å
180	Y	31.1	Very low	39.6	Very low	215 Å²	215	118.6 Å²	118.6	84%	0.843	65%	0.651	S	S	*	*			trans	-74.2	97.3	166.5	7.3	-91	0	0	0	108	V178 T182	V178-Y180 PolarHBondContact O-N 3.22Å; Y180-T182 PolarHBondContact O-N 3.13Å; Y180-T182 VanDerWaalsContact O-N 3.14Å
181	E	31.6	Very low	40	Very low	188 Å²	188	110.4 Å²	110.4	88%	0.879	62%	0.622	S	S	*	*			trans	-63.4	109.5	160	-80	-173.8	152.8	0	0	107.8	F179 S183	F179-E181 PolarHBondContact O-N 2.94Å; F179-E181 VanDerWaalsContact O-N 3.15Å; E181-S183 PolarHBondContact O-N 3.41Å
182	T	34.5	Very low	40.1	Very low	127 Å²	127	104.7 Å²	104.7	78%	0.779	58%	0.582	S	S	*	*			trans	-64.2	97	171	50.8	0	0	0	0	108.7	Y180 S184	Y180-T182 PolarHBondContact O-N 3.13Å; Y180-T182 VanDerWaalsContact O-N 3.14Å; T182-S184 PolarHBondContact O-N 2.97Å; T182-S184 VanDerWaalsContact O-N 3.13Å
183	S	35.2	Very low	40.1	Very low	94 Å²	94	103.9 Å²	103.9	66%	0.657	57%	0.568	S	S	*	*			trans	-55.4	116.5	169.8	174.5	0	0	0	0	109.3	E181 D185	E181-S183 PolarHBondContact O-N 3.41Å; S183-D185 PolarHBondContact O-N 3.2Å
184	S	41	Very low	39.9	Very low	110 Å²	110	96.5 Å²	96.5	77%	0.769	53%	0.534	S	S	*	.			trans	-84.6	55.4	-177.9	29.4	0	0	0	0	110.8	T182 T186	T182-S184 PolarHBondContact O-N 2.97Å; T182-S184 VanDerWaalsContact O-N 3.13Å; S184-T186 PolarHBondContact O-N 3.32Å
185	D	45.1	Very low	40.2	Very low	92 Å²	92	95.3 Å²	95.3	49%	0.492	52%	0.519	S	S	.	.			trans	-75.6	91.9	-171.2	-128.3	-38.1	0	0	0	111.6	S183 S187	S183-D185 PolarHBondContact O-N 3.2Å; D185-S187 PolarHBondContact O-N 2.86Å; D185-S187 PolarHBondContact OD1-OG 3.37Å
186	T	47.1	Very low	39.9	Very low	83 Å²	83	92.1 Å²	92.1	51%	0.509	49%	0.493	S	S	.	.			trans	-85.2	8.8	-177.9	58.6	0	0	0	0	113.9	S184 F188 L189 H190	S184-T186 PolarHBondContact O-N 3.32Å; T186-F188 VanDerWaalsContact C-N 3.34Å; T186-F188 PolarHBondContact O-N 3.02Å; T186-L189 HydrophobicContact CG2-CD1 4.14Å; T186-L189 WeakPolarHBondContact O-CA 3.31Å; T186-L189 WeakPolarHBondContact O-CB 3.31Å; T186-L189 PolarHBondContact O-N 3.08Å; T186-H190 PolarHBondContact O-N 3.11Å
187	S	45.3	Very low	40	Very low	15 Å²	15	94.2 Å²	94.2	11%	0.105	49%	0.491	C	S	.	.	H	α-helix	trans	-62.5	-35.4	-172	36.5	0	0	0	0	113.1	D185 H190	D185-S187 PolarHBondContact O-N 2.86Å; D185-S187 PolarHBondContact OD1-OG 3.37Å; S187-H190 PolarHBondContact O-N 3.25Å
188	F	42.9	Very low	40.1	Very low	70 Å²	70	95.7 Å²	95.7	31%	0.307	49%	0.493	S	S	.	.	H	α-helix	trans	-76.1	-26.9	172.9	-65.9	-79.9	0	0	0	114.3	F143 T186 H190 L191 S192 L220	F143-F188 HydrophobicContact CE2-CE2 4.32Å; F143-F188 AromaticContact CZ-CE2 3.93Å; F143-F188 HydrophobicContact CZ-CE2 3.93Å; F143-F188 AromaticContact CZ-CZ 3.88Å; F143-F188 HydrophobicContact CZ-CZ 3.88Å; T186-F188 VanDerWaalsContact C-N 3.34Å; T186-F188 PolarHBondContact O-N 3.02Å; F188-H190 PolarHBondContact O-N 3.27Å; F188-L191 HydrophobicContact CD1-CD1 4.44Å; F188-S192 PolarHBondContact O-N 3.41Å; F188-L220 HydrophobicContact CB-CD1 3.4Å; F188-L220 VanDerWaalsContact CB-CD1 3.4Å; F188-L220 HydrophobicContact CD1-CD1 4.2Å; F188-L220 HydrophobicContact CD1-CD2 4.1Å; F188-L220 HydrophobicContact CD2-CD1 4.29Å; F188-L220 HydrophobicContact CD2-CD2 4.28Å; F188-L220 HydrophobicContact CE1-CD2 4.3Å; F188-L220 HydrophobicContact CE2-CD2 4.47Å; F188-L220 HydrophobicContact CG-CD1 3.72Å; F188-L220 HydrophobicContact CG-CD2 4.09Å; F188-L220 HydrophobicContact CZ-CD2 4.48Å
189	L	44.1	Very low	40.3	Very low	47 Å²	47	91.4 Å²	91.4	25%	0.246	47%	0.465	C	S	.	.	H	α-helix	trans	-69.4	-22.3	173.4	-69.4	159.3	0	0	0	111.2	T186 S192 K193 Q213	T186-L189 HydrophobicContact CG2-CD1 4.14Å; T186-L189 WeakPolarHBondContact O-CA 3.31Å; T186-L189 WeakPolarHBondContact O-CB 3.31Å; T186-L189 PolarHBondContact O-N 3.08Å; L189-S192 VanDerWaalsContact O-CB 3.31Å; L189-S192 WeakPolarHBondContact O-CB 3.26Å; L189-K193 VanDerWaalsContact O-CG 3.31Å; L189-K193 WeakPolarHBondContact O-CG 3.03Å; L189-K193 PolarHBondContact O-N 3.14Å; L189-K193 VanDerWaalsContact O-N 3.14Å; L189-Q213 HydrophobicContact CD2-CG 3.36Å
190	H	44.8	Very low	40.4	Very low	71 Å²	71	91.9 Å²	91.9	33%	0.329	47%	0.467	S	S	.	.	H	α-helix	trans	-77.5	-42.6	176.2	-113.2	124.5	0	0	0	112.8	N76 T186 S187 F188 S192 K193 M194	N76-H190 PolarHBondContact ND2-CD2 2.91Å; N76-H190 PolarHBondContact ND2-NE2 2.95Å; N76-H190 PolarHBondContact OD1-CD2 3.04Å; T186-H190 PolarHBondContact O-N 3.11Å; S187-H190 PolarHBondContact O-N 3.25Å; F188-H190 PolarHBondContact O-N 3.27Å; H190-S192 VanDerWaalsContact C-N 3.3Å; H190-S192 PolarHBondContact O-N 3.43Å; H190-K193 CarbonylContact O-C 3.46Å; H190-K193 WeakPolarHBondContact O-CA 3.44Å; H190-K193 WeakPolarHBondContact O-CB 3.5Å; H190-K193 PolarHBondContact O-N 3.43Å; H190-M194 WeakPolarHBondContact O-CG 3.47Å; H190-M194 PolarHBondContact O-N 3.5Å
191	L	39.7	Very low	40.5	Very low	49 Å²	49	86.5 Å²	86.5	26%	0.257	47%	0.467	S	S	.	.	H	α-helix	trans	-54.6	-47.4	170	-83.8	167.8	0	0	0	112	C73 F188 K193 M194 I195	C73-L191 HydrophobicContact CB-CD1 4.27Å; C73-L191 HydrophobicContact CB-CD2 3.17Å; C73-L191 HydrophobicContact CB-CG 3.61Å; F188-L191 HydrophobicContact CD1-CD1 4.44Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 2.81Å; L191-M194 PolarHBondContact O-N 3.36Å; L191-I195 WeakPolarHBondContact O-CD1 3.42Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.42Å; L191-I195 PolarHBondContact O-N 3.29Å
192	S	39.3	Very low	40.7	Very low	1 Å²	1	81.4 Å²	81.4	1%	0.007	46%	0.458	C	S	.	.	H	α-helix	trans	-50.6	-46	170.2	154.1	0	0	0	0	113.4	F188 L189 H190 N196 L216	F188-S192 PolarHBondContact O-N 3.41Å; L189-S192 VanDerWaalsContact O-CB 3.31Å; L189-S192 WeakPolarHBondContact O-CB 3.26Å; H190-S192 VanDerWaalsContact C-N 3.3Å; H190-S192 PolarHBondContact O-N 3.43Å; S192-N196 PolarHBondContact O-N 3.17Å; S192-N196 PolarHBondContact O-ND2 2.68Å; S192-L216 WeakPolarHBondContact OG-CD1 3.21Å
193	K	42.6	Very low	40.8	Very low	85 Å²	85	83.9 Å²	83.9	37%	0.37	46%	0.46	S	S	.	.	H	α-helix	trans	-73.4	-34.1	-178.4	-81.1	173.6	178.9	176.6	0	112.3	L189 H190 L191 N196 K197	L189-K193 VanDerWaalsContact O-CG 3.31Å; L189-K193 WeakPolarHBondContact O-CG 3.03Å; L189-K193 PolarHBondContact O-N 3.14Å; L189-K193 VanDerWaalsContact O-N 3.14Å; H190-K193 CarbonylContact O-C 3.46Å; H190-K193 WeakPolarHBondContact O-CA 3.44Å; H190-K193 WeakPolarHBondContact O-CB 3.5Å; H190-K193 PolarHBondContact O-N 3.43Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 2.81Å; K193-N196 PolarHBondContact O-N 3.37Å; K193-K197 WeakPolarHBondContact O-CB 3.31Å; K193-K197 WeakPolarHBondContact O-CG 3.48Å; K193-K197 PolarHBondContact O-N 2.89Å
194	M	40.4	Very low	40.6	Very low	39 Å²	39	88.6 Å²	88.6	19%	0.192	47%	0.469	C	S	.	.	H	α-helix	trans	-66.4	-38.8	176.1	-68.7	178.4	78.3	0	0	112.5	C73 N76 A93 H190 L191 N196 K197 N198	C73-M194 PolarHBondContact SG-SD 3.38Å; N76-M194 WeakPolarHBondContact CA-SD 3.47Å; N76-M194 HydrophobicContact CB-CE 3.8Å; N76-M194 HydrophobicContact CB-CG 3.82Å; N76-M194 HydrophobicContact CB-SD 3.5Å; N76-M194 WeakPolarHBondContact CB-SD 3.1Å; N76-M194 WeakPolarHBondContact O-CE 3.5Å; N76-M194 WeakPolarHBondContact OD1-CG 3.08Å; N76-M194 PolarHBondContact OD1-SD 3.47Å; A93-M194 HydrophobicContact CB-CE 3.55Å; H190-M194 WeakPolarHBondContact O-CG 3.47Å; H190-M194 PolarHBondContact O-N 3.5Å; L191-M194 PolarHBondContact O-N 3.36Å; M194-N196 PolarHBondContact O-N 2.97Å; M194-K197 PolarHBondContact O-N 3.11Å; M194-N198 PolarHBondContact O-N 3.36Å
195	I	44.4	Very low	40.2	Very low	81 Å²	81	87.1 Å²	87.1	42%	0.415	47%	0.471	S	S	.	.	H	α-helix	trans	-60.5	-30.8	174.5	-63.8	163.1	0	0	0	110.7	L191 M199	L191-I195 WeakPolarHBondContact O-CD1 3.42Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.42Å; L191-I195 PolarHBondContact O-N 3.29Å; I195-M199 WeakPolarHBondContact O-CG 3.4Å
196	N	37.4	Very low	39.8	Very low	46 Å²	46	89.4 Å²	89.4	25%	0.246	48%	0.479	C	S	.	.	H	α-helix	trans	-90.5	-27.4	178.6	-75.4	-70.7	0	0	0	114.7	S192 K193 M194 F211	S192-N196 PolarHBondContact O-N 3.17Å; S192-N196 PolarHBondContact O-ND2 2.68Å; K193-N196 PolarHBondContact O-N 3.37Å; M194-N196 PolarHBondContact O-N 2.97Å; N196-F211 PolarHBondContact ND2-O 2.92Å; N196-F211 PolarHBondContact OD1-O 2.97Å
197	K	46.4	Very low	39.1	Very low	151 Å²	151	90.1 Å²	90.1	66%	0.657	49%	0.487	S	S	*	.	H	α-helix	trans	-83.5	-28	-174.3	-78.5	-177.7	175.7	-176.2	0	114	K193 M194 M199	K193-K197 WeakPolarHBondContact O-CB 3.31Å; K193-K197 WeakPolarHBondContact O-CG 3.48Å; K193-K197 PolarHBondContact O-N 2.89Å; M194-K197 PolarHBondContact O-N 3.11Å; K197-M199 VanDerWaalsContact C-N 3.28Å; K197-M199 PolarHBondContact O-N 2.9Å
198	N	42.5	Very low	38.8	Very low	141 Å²	141	94 Å²	94	75%	0.754	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	15.3	175.1	-71.2	-4.8	0	0	0	113.4	M194	M194-N198 PolarHBondContact O-N 3.36Å
199	M	37.5	Very low	38.9	Very low	31 Å²	31	95.9 Å²	95.9	15%	0.153	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	1.7	-176.5	-98.3	-176.1	59.9	0	0	115.5	I195 K197 I208 N210	I195-M199 WeakPolarHBondContact O-CG 3.4Å; K197-M199 VanDerWaalsContact C-N 3.28Å; K197-M199 PolarHBondContact O-N 2.9Å; M199-I208 HydrophobicContact CE-CB 3.55Å; M199-I208 HydrophobicContact CE-CG2 3.43Å; M199-I208 VanDerWaalsContact CE-CG2 3.43Å; M199-I208 WeakPolarHBondContact CE-O 3.46Å; M199-I208 HydrophobicContact CG-CB 4.28Å; M199-I208 HydrophobicContact CG-CD1 4.01Å; M199-I208 HydrophobicContact CG-CG2 3.74Å; M199-I208 HydrophobicContact SD-CB 4.01Å; M199-I208 HydrophobicContact SD-CG2 3.21Å; M199-I208 WeakPolarHBondContact SD-CG2 3.3Å; M199-N210 WeakPolarHBondContact CE-OD1 3.1Å
200	F	35.1	Very low	38.4	Very low	193 Å²	193	99.2 Å²	99.2	85%	0.846	54%	0.537	S	S	*	.	S	Bend	trans	-99.9	2.4	-178.3	-83	-80.8	0	0	0	115.9	A202	F200-A202 PolarHBondContact O-N 3.32Å
201	A	34.5	Very low	38.6	Very low	102 Å²	102	99.1 Å²	99.1	84%	0.843	54%	0.535	S	S	*	.			trans	-101	64	169.4	0	0	0	0	0	110.3	E203	A201-E203 PolarHBondContact O-N 3.06Å
202	A	36.2	Very low	39	Very low	82 Å²	82	100 Å²	100	68%	0.678	54%	0.543	S	S	*	.			trans	-89.2	84.3	172.9	0	0	0	0	0	109.8	F200 K204	F200-A202 PolarHBondContact O-N 3.32Å; A202-K204 PolarHBondContact O-N 3.48Å
203	E	35	Very low	39.1	Very low	179 Å²	179	104.5 Å²	104.5	84%	0.836	56%	0.564	S	S	*	*			trans	-76.6	113.1	152.1	-94.9	-156.3	126.7	0	0	108.1	A201	A201-E203 PolarHBondContact O-N 3.06Å
204	K	31.6	Very low	39.3	Very low	193 Å²	193	109 Å²	109	84%	0.839	58%	0.579	S	S	*	*	S	Bend	trans	56.9	93.5	161.3	-63.6	-178.3	179.4	173.3	0	116.7	A202	A202-K204 PolarHBondContact O-N 3.48Å
205	G	32.6	Very low	39.7	Very low	79 Å²	79	109.7 Å²	109.7	81%	0.814	58%	0.583	S	S	*	*	S	Bend		111.3	7.7	126.8	0	0	0	0	0	119.4
206	E	36.3	Very low	39.7	Very low	140 Å²	140	106.9 Å²	106.9	65%	0.654	57%	0.569	S	S	*	*			trans	-129	125.2	178.1	-63.6	-143.8	126	0	0	113.5	R102 I208	R102-E206 IonicContact CZ-OE1 3.69Å; R102-E206 IonicContact NH2-OE1 2.74Å; R102-E206 PolarHBondContact NH2-OE1 3.31Å; R102-E206 IonicContact NH2-OE2 3.06Å; R102-E206 PolarHBondContact NH2-OE2 2.98Å; E206-I208 PolarHBondContact O-N 2.74Å
207	S	33.7	Very low	40	Very low	97 Å²	97	109.8 Å²	109.8	68%	0.678	58%	0.58	S	S	*	*			trans	-73.5	100.4	-178.1	44.4	0	0	0	0	111.9
208	I	37.7	Very low	40	Very low	96 Å²	96	111 Å²	111	49%	0.492	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-90.3	116.2	173.7	-45.4	173.7	0	0	0	108.7	M199 E206 N210	M199-I208 HydrophobicContact CE-CB 3.55Å; M199-I208 HydrophobicContact CE-CG2 3.43Å; M199-I208 VanDerWaalsContact CE-CG2 3.43Å; M199-I208 WeakPolarHBondContact CE-O 3.46Å; M199-I208 HydrophobicContact CG-CB 4.28Å; M199-I208 HydrophobicContact CG-CD1 4.01Å; M199-I208 HydrophobicContact CG-CG2 3.74Å; M199-I208 HydrophobicContact SD-CB 4.01Å; M199-I208 HydrophobicContact SD-CG2 3.21Å; M199-I208 WeakPolarHBondContact SD-CG2 3.3Å; E206-I208 PolarHBondContact O-N 2.74Å; I208-N210 PolarHBondContact O-N 2.84Å
209	L	45.6	Very low	40.1	Very low	110 Å²	110	107 Å²	107	58%	0.576	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-77.7	119.4	-179.9	-69.3	163.3	0	0	0	110.7	R100	R100-L209 PolarHBondContact NH1-O 3.21Å
210	N	34.2	Very low	40.3	Very low	118 Å²	118	109.4 Å²	109.4	63%	0.631	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-59.8	133.9	176.4	-56.8	-44.4	0	0	0	112.3	M199 I208	M199-N210 WeakPolarHBondContact CE-OD1 3.1Å; I208-N210 PolarHBondContact O-N 2.84Å
211	F	47.2	Very low	40.8	Very low	69 Å²	69	106.9 Å²	106.9	30%	0.303	57%	0.567	S	S	.	*			trans	-114.8	122.3	168.6	-114.3	-93.8	0	0	0	108.5	N196 D215 L216 I219	N196-F211 PolarHBondContact ND2-O 2.92Å; N196-F211 PolarHBondContact OD1-O 2.97Å; F211-D215 HydrophobicContact CD1-CB 3.48Å; F211-D215 VanDerWaalsContact CD1-CB 3.48Å; F211-D215 HydrophobicContact CE1-CB 3.65Å; F211-L216 HydrophobicContact CD1-CD1 4.47Å; F211-I219 HydrophobicContact CE1-CD1 4.17Å
212	T	49.7	Very low	40.8	Very low	68 Å²	68	104.3 Å²	104.3	42%	0.417	55%	0.55	S	S	.	.			trans	-82.6	156.3	-179.8	69.8	0	0	0	0	111.1	R214 D215 L216	T212-R214 PolarHBondContact O-N 3.1Å; T212-R214 VanDerWaalsContact O-N 3.1Å; T212-D215 WeakPolarHBondContact CB-OD2 3.17Å; T212-D215 PolarHBondContact N-OD2 2.88Å; T212-D215 WeakPolarHBondContact O-CB 3.38Å; T212-D215 PolarHBondContact O-N 2.86Å; T212-D215 VanDerWaalsContact OG1-CG 3.28Å; T212-D215 PolarHBondContact OG1-OD2 2.77Å; T212-L216 WeakPolarHBondContact O-CD1 3.46Å
213	Q	40.8	Very low	41	Very low	95 Å²	95	105.1 Å²	105.1	44%	0.444	56%	0.557	S	S	.	*	H	α-helix	trans	-51.9	-33.1	173.9	-171.8	179.3	-36.2	0	0	112.7	L189 D215 L216 Q217	L189-Q213 HydrophobicContact CD2-CG 3.36Å; Q213-D215 VanDerWaalsContact C-N 3.34Å; Q213-D215 PolarHBondContact O-N 3.18Å; Q213-L216 PolarHBondContact O-N 3.5Å; Q213-Q217 PolarHBondContact O-N 3.36Å
214	R	46.6	Very low	41.1	Very low	180 Å²	180	109.7 Å²	109.7	68%	0.679	57%	0.574	S	S	*	*	H	α-helix	trans	-68	-32	177.8	-64.5	-170.9	-154.6	124.1	1.1	113.1	T212 L216 Q217 R218	T212-R214 PolarHBondContact O-N 3.1Å; T212-R214 VanDerWaalsContact O-N 3.1Å; R214-L216 VanDerWaalsContact C-N 3.3Å; R214-Q217 PolarHBondContact O-N 3.32Å; R214-R218 PolarHBondContact O-N 3.47Å
215	D	49.3	Very low	41.6	Very low	52 Å²	52	105.5 Å²	105.5	28%	0.278	56%	0.56	S	S	.	*	H	α-helix	trans	-68.6	-35.5	-179.8	-61.6	-47.4	0	0	0	110.6	F211 T212 Q213 I219	F211-D215 HydrophobicContact CD1-CB 3.48Å; F211-D215 VanDerWaalsContact CD1-CB 3.48Å; F211-D215 HydrophobicContact CE1-CB 3.65Å; T212-D215 WeakPolarHBondContact CB-OD2 3.17Å; T212-D215 PolarHBondContact N-OD2 2.88Å; T212-D215 WeakPolarHBondContact O-CB 3.38Å; T212-D215 PolarHBondContact O-N 2.86Å; T212-D215 VanDerWaalsContact OG1-CG 3.28Å; T212-D215 PolarHBondContact OG1-OD2 2.77Å; Q213-D215 VanDerWaalsContact C-N 3.34Å; Q213-D215 PolarHBondContact O-N 3.18Å; D215-I219 WeakPolarHBondContact O-CD1 3.35Å; D215-I219 WeakPolarHBondContact O-CG1 3.42Å
216	L	43.7	Very low	42.1	Very low	23 Å²	23	106.9 Å²	106.9	12%	0.12	55%	0.547	C	S	.	.	H	α-helix	trans	-74.9	-32.5	177.4	-69.9	125.4	0	0	0	112.9	S192 F211 T212 Q213 R214 R218 I219 L220	S192-L216 WeakPolarHBondContact OG-CD1 3.21Å; F211-L216 HydrophobicContact CD1-CD1 4.47Å; T212-L216 WeakPolarHBondContact O-CD1 3.46Å; Q213-L216 PolarHBondContact O-N 3.5Å; R214-L216 VanDerWaalsContact C-N 3.3Å; L216-R218 VanDerWaalsContact C-N 3.34Å; L216-R218 PolarHBondContact O-N 3.26Å; L216-I219 PolarHBondContact O-N 3.18Å; L216-L220 PolarHBondContact O-N 3.49Å
217	Q	43.2	Very low	42.4	Very low	106 Å²	106	105.1 Å²	105.1	50%	0.495	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-35.9	178.9	-153.3	171.8	14	0	0	112.3	Q213 R214 I219 L221	Q213-Q217 PolarHBondContact O-N 3.36Å; R214-Q217 PolarHBondContact O-N 3.32Å; Q217-I219 VanDerWaalsContact C-N 3.33Å; Q217-I219 PolarHBondContact O-N 3.24Å; Q217-L221 HydrophobicContact CG-CD1 4.06Å; Q217-L221 PolarHBondContact O-N 3.37Å
218	R	47.1	Very low	42.9	Very low	177 Å²	177	105.5 Å²	105.5	67%	0.668	53%	0.533	S	S	*	.	H	α-helix	trans	-70.9	-25.2	175.4	-68.6	-177.9	-171.3	150.5	-1.5	113.8	R214 L216	R214-R218 PolarHBondContact O-N 3.47Å; L216-R218 VanDerWaalsContact C-N 3.34Å; L216-R218 PolarHBondContact O-N 3.26Å
219	I	44.7	Very low	43.3	Very low	56 Å²	56	106.1 Å²	106.1	29%	0.287	54%	0.536	S	S	.	.	H	α-helix	trans	-83.2	-22.7	-175.6	-68	167	0	0	0	112.2	K42 F211 D215 L216 Q217	K42-I219 VanDerWaalsContact NZ-CG2 3.3Å; K42-I219 PolarHBondContact NZ-O 3.45Å; K42-I219 VanDerWaalsContact NZ-O 3.11Å; F211-I219 HydrophobicContact CE1-CD1 4.17Å; D215-I219 WeakPolarHBondContact O-CD1 3.35Å; D215-I219 WeakPolarHBondContact O-CG1 3.42Å; L216-I219 PolarHBondContact O-N 3.18Å; Q217-I219 VanDerWaalsContact C-N 3.33Å; Q217-I219 PolarHBondContact O-N 3.24Å
220	L	41.5	Very low	43.1	Very low	82 Å²	82	105.9 Å²	105.9	43%	0.429	53%	0.533	S	S	.	.	H	α-helix	trans	-100.8	-33.8	-174.3	-78.3	159	0	0	0	113.9	F188 L216	F188-L220 HydrophobicContact CB-CD1 3.4Å; F188-L220 VanDerWaalsContact CB-CD1 3.4Å; F188-L220 HydrophobicContact CD1-CD1 4.2Å; F188-L220 HydrophobicContact CD1-CD2 4.1Å; F188-L220 HydrophobicContact CD2-CD1 4.29Å; F188-L220 HydrophobicContact CD2-CD2 4.28Å; F188-L220 HydrophobicContact CE1-CD2 4.3Å; F188-L220 HydrophobicContact CE2-CD2 4.47Å; F188-L220 HydrophobicContact CG-CD1 3.72Å; F188-L220 HydrophobicContact CG-CD2 4.09Å; F188-L220 HydrophobicContact CZ-CD2 4.48Å; L216-L220 PolarHBondContact O-N 3.49Å
221	L	46.3	Very low	43.7	Very low	141 Å²	141	105 Å²	105	74%	0.738	53%	0.526	S	S	*	.	S	Bend	trans	-92	2	-176.3	-71.6	165	0	0	0	113.7	Q217	Q217-L221 HydrophobicContact CG-CD1 4.06Å; Q217-L221 PolarHBondContact O-N 3.37Å
222	G	34.1	Very low	43.5	Very low	47 Å²	47	107.8 Å²	107.8	49%	0.485	54%	0.543	S	S	.	.			trans	65.2	151.6	-164.3	0	0	0	0	0	110.7	K224	G222-K224 PolarHBondContact O-N 3.46Å
223	A	40.8	Very low	43	Very low	100 Å²	100	111.1 Å²	111.1	83%	0.826	55%	0.553	S	S	*	*			trans	-63.8	123.4	163.8	0	0	0	0	0	107.2
224	K	37.5	Very low	43.1	Very low	274 Å²	274	112.5 Å²	112.5	100%	1.191	56%	0.563	S	S	*	*			trans	-72	0	161.1	-155.8	176.8	-176	177.4	0	108.9	G222	G222-K224 PolarHBondContact O-N 3.46Å

Retrieved 224 of 224 residues in 138.6 ms (Link to these results)

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