G4VDM1_SCHMA Loading...

dual-specificity kinase AlphaSync

AlphaFold DB , UniProt , Accession G4VDM1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 407 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	37.1	Very low	245 Å²	245	153.5 Å²	153.5	100%	1.207	82%	0.818	S	S	*	*				0	104.8	0	-65.5	177.3	171.3	0	0	105.4
2	I	40.1	Very low	37.3	Very low	169 Å²	169	155.3 Å²	155.3	87%	0.867	83%	0.827	S	S	*	*			cis	-149.7	132	41.7	-75.4	159.7	0	0	0	107.2
3	T	30.9	Very low	37	Very low	133 Å²	133	160 Å²	160	82%	0.816	83%	0.826	S	S	*	*			trans	-102.2	143.3	166.9	41.1	0	0	0	0	109.4
4	K	38.8	Very low	37.3	Very low	205 Å²	205	160.1 Å²	160.1	89%	0.891	83%	0.829	S	S	*	*			trans	-154.2	121.2	147.7	-109.2	171.9	-173	-177.2	0	111.7
5	K	34.8	Very low	37.3	Very low	195 Å²	195	159.1 Å²	159.1	85%	0.848	83%	0.825	S	S	*	*			trans	-75.2	-179.3	169.3	-79.9	178	169.5	177.4	0	111
6	L	40.3	Very low	37.3	Very low	136 Å²	136	155.1 Å²	155.1	71%	0.712	82%	0.815	S	S	*	*			trans	133.8	136.9	143.1	-66.1	155.3	0	0	0	108.3
7	H	41.6	Very low	37.3	Very low	147 Å²	147	157.3 Å²	157.3	68%	0.681	82%	0.816	S	S	*	*			cis	-173.9	150.8	18.2	-119.5	-31.2	0	0	0	110.6
8	T	37.4	Very low	37.5	Very low	114 Å²	114	155.5 Å²	155.5	70%	0.699	81%	0.808	S	S	*	*			trans	55.7	150.4	138.4	54.5	0	0	0	0	122.1
9	S	35.2	Very low	37.5	Very low	94 Å²	94	159.2 Å²	159.2	66%	0.657	81%	0.81	S	S	*	*			cis	157.8	134.4	-23.5	50.8	0	0	0	0	105.3
10	T	38.6	Very low	37.5	Very low	153 Å²	153	154.9 Å²	154.9	94%	0.939	81%	0.807	S	S	*	*			trans	-177.9	143.6	137.8	28.8	0	0	0	0	112.7
11	S	34.8	Very low	37.4	Very low	98 Å²	98	158.1 Å²	158.1	69%	0.685	82%	0.815	S	S	*	*			trans	-92.1	162.2	-171.4	168.7	0	0	0	0	112.4
12	L	40	Very low	37.4	Very low	175 Å²	175	151.4 Å²	151.4	92%	0.916	79%	0.793	S	S	*	*				-174.5	143	127.1	-93.5	155.5	0	0	0	112.3
13	R	33.1	Very low	37.2	Very low	216 Å²	216	154.7 Å²	154.7	82%	0.815	79%	0.794	S	S	*	*			trans	-96.4	157	-172.8	-72.4	171.6	166.6	176.8	-5.8	112.6
14	N	40.9	Very low	37.6	Very low	162 Å²	162	154 Å²	154	87%	0.866	79%	0.794	S	S	*	*			trans	157.1	164.4	130.5	-80.2	-10.2	0	0	0	109.9
15	D	37	Very low	37.2	Very low	145 Å²	145	152 Å²	152	78%	0.775	79%	0.794	S	S	*	*				-168	156	-56.4	-160.4	-0.1	0	0	0	104.9
16	S	38.4	Very low	37.1	Very low	94 Å²	94	147.5 Å²	147.5	66%	0.657	79%	0.793	S	S	*	*			trans	83.6	103.2	159.2	-50.4	0	0	0	0	123.8
17	K	37.3	Very low	36.7	Very low	193 Å²	193	150.3 Å²	150.3	84%	0.839	80%	0.803	S	S	*	*				50.9	120.4	122.5	-64.8	174.9	179	171.7	0	122.4
18	D	40.3	Very low	36.1	Very low	125 Å²	125	148.3 Å²	148.3	67%	0.668	80%	0.804	S	S	*	*				-177.4	129.5	102.7	-108.3	-24.9	0	0	0	114.7
19	R	37.8	Very low	35.7	Very low	225 Å²	225	149 Å²	149	85%	0.849	81%	0.808	S	S	*	*			trans	50.1	113.2	140.8	-60.8	171.2	-153.4	-159.7	2.3	123.3
20	G	36.4	Very low	35.6	Very low	73 Å²	73	151.3 Å²	151.3	75%	0.753	81%	0.812	S	S	*	*				108.7	99.9	111	0	0	0	0	0	119
21	F	36.8	Very low	35.2	Very low	223 Å²	223	152.7 Å²	152.7	98%	0.978	81%	0.807	S	S	*	*				-178.7	135.5	117.2	-119.6	-97.5	0	0	0	111.1
22	S	35.3	Very low	35.1	Very low	105 Å²	105	156.2 Å²	156.2	73%	0.734	81%	0.813	S	S	*	*			trans	-82.2	142.1	-174.8	-51.1	0	0	0	0	113.1
23	R	36.9	Very low	34.6	Very low	237 Å²	237	157.1 Å²	157.1	89%	0.894	81%	0.813	S	S	*	*				170.5	134.7	113.5	-96.4	175.5	157.5	171.1	-6.1	114.2
24	S	37.7	Very low	34.4	Very low	118 Å²	118	152.8 Å²	152.8	83%	0.825	81%	0.814	S	S	*	*			trans	68.8	102.3	153.9	50.8	0	0	0	0	121
25	N	31.2	Very low	33.9	Very low	163 Å²	163	153.7 Å²	153.7	87%	0.872	81%	0.813	S	S	*	*			trans	-60.8	137.6	157.1	-75	-23.1	0	0	0	113
26	A	33.1	Very low	33.8	Very low	101 Å²	101	158.1 Å²	158.1	84%	0.835	82%	0.819	S	S	*	*			trans	-158.3	92.7	138.1	0	0	0	0	0	108.5
27	Q	32.2	Very low	33.7	Very low	196 Å²	196	158.9 Å²	158.9	92%	0.916	82%	0.819	S	S	*	*			trans	-75.7	117.2	161.4	-96.4	165.7	-41.3	0	0	107.7
28	C	27.9	Very low	33.5	Very low	104 Å²	104	154.2 Å²	154.2	70%	0.703	81%	0.811	S	S	*	*			trans	-122.8	105.9	161.9	-168.7	0	0	0	0	107.8
29	T	29.2	Very low	33.8	Very low	130 Å²	130	152.9 Å²	152.9	80%	0.798	80%	0.803	S	S	*	*			trans	-76.1	110.6	166.8	10.2	0	0	0	0	108.2
30	I	33.8	Very low	34	Very low	142 Å²	142	146.4 Å²	146.4	73%	0.728	79%	0.789	S	S	*	*			trans	-119.9	88.9	162.3	-58.2	177.2	0	0	0	106.5
31	Q	29.1	Very low	34.4	Very low	181 Å²	181	148.5 Å²	148.5	85%	0.846	77%	0.774	S	S	*	*			trans	-93.5	104.8	152.1	-79.8	177.3	-57	0	0	105.2
32	E	32.7	Very low	34.6	Very low	173 Å²	173	142.9 Å²	142.9	81%	0.808	76%	0.758	S	S	*	*	S	Bend	trans	168.9	129.2	146.3	-94.2	164.3	-175.7	0	0	109.7
33	E	28.9	Very low	34.7	Very low	194 Å²	194	143.2 Å²	143.2	91%	0.907	76%	0.756	S	S	*	*			trans	60.6	83.8	159.5	-61.7	-177.6	160.1	0	0	118.7
34	C	29.2	Very low	34.9	Very low	124 Å²	124	133.3 Å²	133.3	84%	0.838	72%	0.723	S	S	*	*			trans	-126	107.3	147.3	-154.1	0	0	0	0	107.3	R36	C34-R36 PolarHBondContact O-N 2.7Å
35	E	30.4	Very low	35.2	Very low	182 Å²	182	133.9 Å²	133.9	85%	0.85	72%	0.721	S	S	*	*			trans	-44.5	122.5	172.4	-75.6	177.4	136.7	0	0	109.3	V37	E35-V37 VanDerWaalsContact C-N 3.29Å; E35-V37 PolarHBondContact O-N 3.12Å
36	R	35.9	Very low	36.4	Very low	237 Å²	237	129.6 Å²	129.6	89%	0.894	69%	0.693	S	S	*	*			trans	-61.9	92.9	173.5	-72.3	178.8	177.5	152.9	-1	108.4	C34 S38	C34-R36 PolarHBondContact O-N 2.7Å; R36-S38 PolarHBondContact O-N 2.85Å
37	V	35.3	Very low	37.5	Very low	110 Å²	110	127.5 Å²	127.5	67%	0.667	67%	0.672	S	S	*	*			trans	-68.2	92.1	160	-172.2	0	0	0	0	106.3	E35 L39	E35-V37 VanDerWaalsContact C-N 3.29Å; E35-V37 PolarHBondContact O-N 3.12Å; V37-L39 VanDerWaalsContact C-N 3.27Å; V37-L39 HydrophobicContact CB-CG 4.47Å; V37-L39 HydrophobicContact CG1-CD2 3.7Å; V37-L39 HydrophobicContact CG1-CG 3.76Å; V37-L39 PolarHBondContact O-N 3.2Å
38	S	34.5	Very low	38.8	Very low	95 Å²	95	124.6 Å²	124.6	66%	0.664	67%	0.668	S	S	*	*			trans	-63.7	89	168.7	-76.3	0	0	0	0	108.8	R36 T40	R36-S38 PolarHBondContact O-N 2.85Å; S38-T40 PolarHBondContact O-N 2.85Å
39	L	45.9	Very low	40.9	Very low	97 Å²	97	122.4 Å²	122.4	51%	0.508	65%	0.651	S	S	.	*			trans	-78.6	13.5	177	-71.4	170.6	0	0	0	113.9	V37 L367	V37-L39 VanDerWaalsContact C-N 3.27Å; V37-L39 HydrophobicContact CB-CG 4.47Å; V37-L39 HydrophobicContact CG1-CD2 3.7Å; V37-L39 HydrophobicContact CG1-CG 3.76Å; V37-L39 PolarHBondContact O-N 3.2Å; L39-L367 HydrophobicContact CD1-CD1 3.45Å; L39-L367 VanDerWaalsContact CD1-CD1 3.45Å
40	T	41.9	Very low	43.1	Very low	89 Å²	89	124.7 Å²	124.7	55%	0.546	65%	0.653	S	S	.	*	S	Bend	trans	-91.1	116.3	161.8	48.6	0	0	0	0	107.1	S38 T42	S38-T40 PolarHBondContact O-N 2.85Å; T40-T42 WeakPolarHBondContact CB-OG1 3.09Å; T40-T42 PolarHBondContact O-N 3.38Å; T40-T42 PolarHBondContact O-OG1 2.82Å; T40-T42 PolarHBondContact OG1-OG1 3.09Å
41	R	44.6	Very low	45.2	Very low	118 Å²	118	119.3 Å²	119.3	45%	0.445	62%	0.624	S	S	.	*			trans	-65.9	79.4	156.2	179.6	-178.8	-89.2	163.6	2.9	106.3	T43 D193 D194	R41-T43 VanDerWaalsContact C-N 3.3Å; R41-T43 PolarHBondContact O-N 3.21Å; R41-D193 WeakPolarHBondContact CD-OD2 3.34Å; R41-D193 IonicContact NE-OD2 3.83Å; R41-D193 VanDerWaalsContact NH1-C 3.28Å; R41-D193 PolarHBondContact NH1-O 2.95Å; R41-D193 IonicContact NH1-OD1 3.45Å; R41-D193 PolarHBondContact NH2-O 3.41Å; R41-D194 PolarHBondContact NH1-O 3.39Å
42	T	40.8	Very low	47.6	Very low	105 Å²	105	114.5 Å²	114.5	64%	0.644	61%	0.608	S	S	*	*			trans	-88.7	7.4	-172.3	1.1	0	0	0	0	113.4	T40	T40-T42 WeakPolarHBondContact CB-OG1 3.09Å; T40-T42 PolarHBondContact O-N 3.38Å; T40-T42 PolarHBondContact O-OG1 2.82Å; T40-T42 PolarHBondContact OG1-OG1 3.09Å
43	T	36.7	Very low	49.8	Very low	112 Å²	112	109.2 Å²	109.2	69%	0.687	59%	0.589	S	S	*	*			trans	-144.8	81.4	177.7	56.1	0	0	0	0	110.5	R41 V45	R41-T43 VanDerWaalsContact C-N 3.3Å; R41-T43 PolarHBondContact O-N 3.21Å; T43-V45 PolarHBondContact O-N 3.45Å
44	S	42.7	Very low	52.4	Low	28 Å²	28	104.7 Å²	104.7	20%	0.196	57%	0.571	C	S	.	*			trans	-75.5	113.5	154.7	-163.5	0	0	0	0	106.2	R46 R191 S195	S44-R46 VanDerWaalsContact C-N 3.3Å; S44-R46 PolarHBondContact O-N 3.22Å; S44-R191 WeakPolarHBondContact OG-CD 3.3Å; S44-R191 PolarHBondContact OG-NH1 2.83Å; S44-S195 PolarHBondContact OG-OG 2.87Å
45	V	43.2	Very low	55.2	Low	131 Å²	131	99.3 Å²	99.3	79%	0.794	53%	0.534	S	S	*	.			trans	-65.9	92.8	-178.1	179.7	0	0	0	0	107.8	T43	T43-V45 PolarHBondContact O-N 3.45Å
46	R	57	Low	58.1	Low	72 Å²	72	94.2 Å²	94.2	27%	0.272	51%	0.513	S	S	.	.			trans	-64.4	143.1	170.1	-161	176.4	-168.7	176.7	2.4	107.8	S44 T48 T119	S44-R46 VanDerWaalsContact C-N 3.3Å; S44-R46 PolarHBondContact O-N 3.22Å; R46-T48 PolarHBondContact O-N 3.17Å; R46-T119 VanDerWaalsContact CZ-OG1 3.27Å; R46-T119 PolarHBondContact NE-OG1 3.03Å; R46-T119 PolarHBondContact NH2-OG1 3.43Å
47	S	55.2	Low	60.7	Low	58 Å²	58	86.2 Å²	86.2	41%	0.406	49%	0.486	S	S	.	.			trans	-52	116	166.7	175.1	0	0	0	0	108.6	V49	S47-V49 PolarHBondContact O-N 3.4Å
48	T	59.6	Low	63.5	Low	135 Å²	135	87.6 Å²	87.6	83%	0.828	48%	0.483	S	S	*	.			trans	-79.8	-1.8	179.3	55.3	0	0	0	0	112.4	R46 E50	R46-T48 PolarHBondContact O-N 3.17Å; T48-E50 PolarHBondContact O-N 3.15Å
49	V	71.7	Confident	66.4	Low	57 Å²	57	84.8 Å²	84.8	35%	0.345	46%	0.46	S	S	.	.			trans	-79.5	116.7	-179.7	-175.2	0	0	0	0	108.9	S47 F51	S47-V49 PolarHBondContact O-N 3.4Å; V49-F51 HydrophobicContact CB-CE2 3.79Å; V49-F51 HydrophobicContact CB-CZ 4.08Å; V49-F51 HydrophobicContact CG1-CD2 4.2Å; V49-F51 HydrophobicContact CG1-CE1 4.11Å; V49-F51 HydrophobicContact CG1-CE2 3.66Å; V49-F51 HydrophobicContact CG1-CZ 3.61Å; V49-F51 VanDerWaalsContact O-CD2 3.26Å; V49-F51 WeakPolarHBondContact O-CD2 2.9Å; V49-F51 WeakPolarHBondContact O-CE2 3.17Å
50	E	75.8	Confident	68.7	Low	178 Å²	178	80.8 Å²	80.8	83%	0.832	44%	0.439	S	S	*	.			trans	-80.5	133.8	170.3	-64.2	-168.5	158.3	0	0	109.8	T48	T48-E50 PolarHBondContact O-N 3.15Å
51	F	79	Confident	71.3	Confident	29 Å²	29	79.9 Å²	79.9	13%	0.127	43%	0.429	C	S	.	.			trans	-116.9	148.5	178.1	-65.9	-91.2	0	0	0	109.8	V49 I55 H79 C84 L86 V121	V49-F51 HydrophobicContact CB-CE2 3.79Å; V49-F51 HydrophobicContact CB-CZ 4.08Å; V49-F51 HydrophobicContact CG1-CD2 4.2Å; V49-F51 HydrophobicContact CG1-CE1 4.11Å; V49-F51 HydrophobicContact CG1-CE2 3.66Å; V49-F51 HydrophobicContact CG1-CZ 3.61Å; V49-F51 VanDerWaalsContact O-CD2 3.26Å; V49-F51 WeakPolarHBondContact O-CD2 2.9Å; V49-F51 WeakPolarHBondContact O-CE2 3.17Å; F51-I55 HydrophobicContact CB-CD1 4.2Å; F51-I55 HydrophobicContact CD1-CD1 4.26Å; F51-I55 HydrophobicContact CG-CD1 4.42Å; F51-H79 HydrophobicContact CE1-CB 4.05Å; F51-H79 AromaticContact CE1-CE1 3.8Å; F51-H79 AromaticContact CE1-CG 3.64Å; F51-H79 AromaticContact CE1-ND1 3.5Å; F51-H79 HydrophobicContact CZ-CB 4.5Å; F51-C84 HydrophobicContact CZ-CB 4.06Å; F51-L86 HydrophobicContact CE1-CD1 4.36Å; F51-L86 HydrophobicContact CZ-CD1 4.25Å; F51-V121 HydrophobicContact CB-CG1 3.56Å; F51-V121 HydrophobicContact CD1-CG1 4.32Å; F51-V121 HydrophobicContact CD2-CG1 3.26Å; F51-V121 HydrophobicContact CE2-CG1 3.96Å; F51-V121 HydrophobicContact CG-CG1 3.46Å; F51-V121 VanDerWaalsContact CG-CG1 3.46Å
52	P	79	Confident	73.7	Confident	80 Å²	80	78.6 Å²	78.6	52%	0.519	43%	0.43	S	S	.	.			trans	-62.8	150.7	169.1	28.3	-34.2	0	0	0	110.4	N54	P52-N54 PolarHBondContact O-N 3.43Å; P52-N54 VanDerWaalsContact O-N 3.17Å
53	P	78.1	Confident	76.3	Confident	62 Å²	62	77.4 Å²	77.4	40%	0.403	42%	0.419	S	S	.	.	S	Bend	trans	-57.3	-31.3	177.8	-26.3	34.3	0	0	0	114.2	G122 V123	P53-G122 CarbonylContact O-C 3.51Å; P53-G122 VanDerWaalsContact O-CA 3.28Å; P53-G122 WeakPolarHBondContact O-CA 3.33Å; P53-V123 VanDerWaalsContact O-CG2 3.29Å; P53-V123 WeakPolarHBondContact O-CG2 3.43Å; P53-V123 PolarHBondContact O-N 2.99Å
54	N	83.9	Confident	79	Confident	100 Å²	100	73.5 Å²	73.5	54%	0.535	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-107.9	114.9	174.7	-61.9	-43.9	0	0	0	108.9	P52 V123	P52-N54 PolarHBondContact O-N 3.43Å; P52-N54 VanDerWaalsContact O-N 3.17Å; N54-V123 WeakPolarHBondContact CA-O 3.44Å; N54-V123 VanDerWaalsContact OD1-CG2 3.29Å; N54-V123 WeakPolarHBondContact OD1-CG2 3.48Å
55	I	87.6	Confident	81.4	Confident	11 Å²	11	77.1 Å²	77.1	6%	0.056	42%	0.415	C	S	.	.			trans	-99	134.6	175.1	-62.5	171.4	0	0	0	107.9	F51 L60 V121 V123 V124 I133	F51-I55 HydrophobicContact CB-CD1 4.2Å; F51-I55 HydrophobicContact CD1-CD1 4.26Å; F51-I55 HydrophobicContact CG-CD1 4.42Å; I55-L60 HydrophobicContact CG2-CD1 4.17Å; I55-L60 HydrophobicContact CG2-CD2 4.01Å; I55-L60 HydrophobicContact CG2-CG 4Å; I55-V121 HydrophobicContact CD1-CG1 3.95Å; I55-V123 PolarHBondContact N-O 3.17Å; I55-V124 WeakPolarHBondContact O-CG2 3.46Å; I55-I133 HydrophobicContact CD1-CB 4.24Å; I55-I133 HydrophobicContact CD1-CG1 4.24Å; I55-I133 HydrophobicContact CD1-CG2 4.05Å
56	D	91	Very high	83.6	Confident	74 Å²	74	75 Å²	75	40%	0.396	40%	0.398	S	S	.	.			trans	-76.5	135.1	175.2	-165.3	-34.4	0	0	0	109.7	K58 D59	D56-K58 HydrophobicContact CB-CD 4.43Å; D56-K58 HydrophobicContact CB-CG 4.11Å; D56-K58 PolarHBondContact O-N 2.81Å; D56-K58 VanDerWaalsContact O-N 3.15Å; D56-K58 WeakPolarHBondContact OD1-CG 3.26Å; D56-K58 PolarHBondContact OD1-N 3.06Å; D56-K58 VanDerWaalsContact OD1-N 3.17Å; D56-K58 VanDerWaalsContact OD2-CD 3.3Å; D56-K58 WeakPolarHBondContact OD2-CD 3.35Å; D56-K58 WeakPolarHBondContact OD2-CE 3.49Å; D56-K58 IonicContact OD2-NZ 2.7Å; D56-K58 PolarHBondContact OD2-NZ 3.33Å; D56-D59 WeakPolarHBondContact O-CB 3.29Å; D56-D59 PolarHBondContact O-N 2.81Å
57	E	92.2	Very high	84.7	Confident	70 Å²	70	73.1 Å²	73.1	33%	0.327	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-56.4	-32.7	179.5	-175.1	177.7	-177.6	0	0	111.6	D59 L60 V124 R126	E57-D59 PolarHBondContact O-N 2.8Å; E57-L60 PolarHBondContact O-N 3.4Å; E57-V124 HydrophobicContact CB-CG2 3.82Å; E57-R126 WeakPolarHBondContact OE1-CD 3.44Å; E57-R126 WeakPolarHBondContact OE1-CG 3.49Å; E57-R126 IonicContact OE1-NE 2.83Å; E57-R126 PolarHBondContact OE1-NE 2.87Å; E57-R126 WeakPolarHBondContact OE2-CA 3.39Å
58	K	93.6	Very high	85.8	Confident	139 Å²	139	74.8 Å²	74.8	60%	0.604	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-62.8	-26.7	179.2	78.3	-165.1	-179.3	-147.6	0	113.5	D56 L60 R80	D56-K58 HydrophobicContact CB-CD 4.43Å; D56-K58 HydrophobicContact CB-CG 4.11Å; D56-K58 PolarHBondContact O-N 2.81Å; D56-K58 VanDerWaalsContact O-N 3.15Å; D56-K58 WeakPolarHBondContact OD1-CG 3.26Å; D56-K58 PolarHBondContact OD1-N 3.06Å; D56-K58 VanDerWaalsContact OD1-N 3.17Å; D56-K58 VanDerWaalsContact OD2-CD 3.3Å; D56-K58 WeakPolarHBondContact OD2-CD 3.35Å; D56-K58 WeakPolarHBondContact OD2-CE 3.49Å; D56-K58 IonicContact OD2-NZ 2.7Å; D56-K58 PolarHBondContact OD2-NZ 3.33Å; K58-L60 PolarHBondContact O-N 2.74Å; K58-R80 WeakPolarHBondContact O-CD 3.27Å; K58-R80 PolarHBondContact O-NE 2.8Å; K58-R80 VanDerWaalsContact O-NE 3.09Å
59	D	94.4	Very high	86.1	Confident	36 Å²	36	70.8 Å²	70.8	19%	0.193	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-81.4	-4.5	-179.9	-64.5	-39.5	0	0	0	111.9	D56 E57 H79 R80	D56-D59 WeakPolarHBondContact O-CB 3.29Å; D56-D59 PolarHBondContact O-N 2.81Å; E57-D59 PolarHBondContact O-N 2.8Å; D59-H79 WeakPolarHBondContact O-CA 3.28Å; D59-H79 PolarHBondContact O-CD2 3.27Å; D59-R80 WeakPolarHBondContact O-CG 3.5Å; D59-R80 PolarHBondContact O-N 3.28Å
60	L	95.2	Very high	85.5	Confident	12 Å²	12	73 Å²	73	6%	0.063	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.3	178.7	-58.8	178.2	0	0	0	110.9	I55 E57 K58 V77 H79 L86 L88 V124 I133	I55-L60 HydrophobicContact CG2-CD1 4.17Å; I55-L60 HydrophobicContact CG2-CD2 4.01Å; I55-L60 HydrophobicContact CG2-CG 4Å; E57-L60 PolarHBondContact O-N 3.4Å; K58-L60 PolarHBondContact O-N 2.74Å; L60-V77 HydrophobicContact CB-CB 4.43Å; L60-V77 HydrophobicContact CD1-CG2 4.42Å; L60-V77 HydrophobicContact CD2-CG2 4.05Å; L60-H79 HydrophobicContact CD2-CB 4.38Å; L60-L86 HydrophobicContact CD2-CD1 4.38Å; L60-L88 HydrophobicContact CD1-CD1 4.39Å; L60-V124 HydrophobicContact CD1-CB 4.26Å; L60-V124 HydrophobicContact CD1-CG1 4.22Å; L60-V124 HydrophobicContact CD1-CG2 4.16Å; L60-I133 HydrophobicContact CD1-CD1 3.94Å
61	E	96.2	Very high	84.9	Confident	71 Å²	71	70 Å²	70	33%	0.332	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.2	168.5	-179.7	-173.6	175	0	0	108.9	L63 V77 K78 R80	E61-L63 HydrophobicContact CG-CD2 4.14Å; E61-L63 PolarHBondContact O-N 2.88Å; E61-V77 CarbonylContact O-C 3.56Å; E61-V77 WeakPolarHBondContact O-CA 3.29Å; E61-V77 WeakPolarHBondContact O-CB 3.42Å; E61-K78 HydrophobicContact CB-CB 4.29Å; E61-K78 PolarHBondContact N-O 3.03Å; E61-K78 PolarHBondContact O-N 3.12Å; E61-R80 HydrophobicContact CB-CG 4.37Å
62	I	95.3	Very high	84.6	Confident	90 Å²	90	69.6 Å²	69.6	46%	0.462	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.6	178.8	-62.3	174.3	0	0	0	109.2	I75 V77	I62-I75 HydrophobicContact CG2-CG2 3.72Å; I62-V77 HydrophobicContact CG1-CG1 4.38Å
63	L	95.7	Very high	84.8	Confident	81 Å²	81	70.5 Å²	70.5	42%	0.424	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-24.5	-179.3	-60.4	-175	0	0	0	113.5	E61 K76 K78 L85	E61-L63 HydrophobicContact CG-CD2 4.14Å; E61-L63 PolarHBondContact O-N 2.88Å; L63-K76 HydrophobicContact CB-CB 4.41Å; L63-K76 HydrophobicContact CB-CG 4.25Å; L63-K76 WeakPolarHBondContact CB-O 3.4Å; L63-K76 HydrophobicContact CD1-CD 4.36Å; L63-K76 HydrophobicContact CD1-CG 4.17Å; L63-K76 PolarHBondContact N-O 3.05Å; L63-K78 HydrophobicContact CD1-CB 3.92Å; L63-K78 HydrophobicContact CD2-CB 4.35Å; L63-K78 HydrophobicContact CG-CB 4.17Å; L63-L85 HydrophobicContact CD1-CD2 3.48Å; L63-L85 VanDerWaalsContact CD1-CD2 3.48Å
64	G	93.7	Very high	85.3	Confident	30 Å²	30	68.4 Å²	68.4	31%	0.309	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	149.8	163.8	177.2	0	0	0	0	0	113.3	K76	G64-K76 PolarHBondContact N-O 3.33Å; G64-K76 PolarHBondContact O-N 2.82Å
65	E	91.6	Very high	85.8	Confident	104 Å²	104	64.1 Å²	64.1	49%	0.486	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134	174.2	-169.5	170.6	153.8	0	0	110.4	S68	E65-S68 WeakPolarHBondContact OE1-CB 3.41Å
66	I	90.2	Very high	86.2	Confident	86 Å²	86	65.8 Å²	65.8	44%	0.441	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-11.3	178.9	57.1	167.7	0	0	0	113.1	A74 K76 V87 Y136	I66-A74 HydrophobicContact CD1-CB 4.26Å; I66-A74 HydrophobicContact CG1-CB 3.83Å; I66-A74 WeakPolarHBondContact CG1-O 3.45Å; I66-A74 PolarHBondContact N-O 2.78Å; I66-K76 HydrophobicContact CG2-CB 3.65Å; I66-K76 HydrophobicContact CG2-CD 4.42Å; I66-V87 HydrophobicContact CD1-CB 4.46Å; I66-V87 HydrophobicContact CD1-CG1 3.95Å; I66-V87 HydrophobicContact CD1-CG2 3.64Å; I66-Y136 HydrophobicContact CD1-CD2 4.38Å; I66-Y136 HydrophobicContact CD1-CE2 4.26Å
67	G	80.6	Confident	86.4	Confident	33 Å²	33	62.2 Å²	62.2	34%	0.34	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	178.5	153.3	173.8	0	0	0	0	0	112.6	A74	G67-A74 PolarHBondContact N-O 2.89Å; G67-A74 PolarHBondContact O-N 2.79Å
68	S	77.2	Confident	86.7	Confident	92 Å²	92	61.6 Å²	61.6	64%	0.643	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.7	173.6	58.7	0	0	0	0	109	E65	E65-S68 WeakPolarHBondContact OE1-CB 3.41Å
69	G	67.1	Low	86.7	Confident	52 Å²	52	55.8 Å²	55.8	54%	0.536	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	-170.9	176.2	0	0	0	0	0	112.4	Y71 G72	G69-Y71 PolarHBondContact O-N 2.91Å; G69-Y71 VanDerWaalsContact O-N 3.13Å; G69-G72 PolarHBondContact N-O 2.92Å; G69-G72 PolarHBondContact O-N 2.82Å
70	S	58.7	Low	86.7	Confident	103 Å²	103	60.5 Å²	60.5	72%	0.72	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.5	176	48	0	0	0	0	113.3
71	Y	61.9	Low	86.6	Confident	116 Å²	116	66.9 Å²	66.9	46%	0.455	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	2.5	-179.1	-59.2	-72.7	0	0	0	114.4	G69 D182	G69-Y71 PolarHBondContact O-N 2.91Å; G69-Y71 VanDerWaalsContact O-N 3.13Å; Y71-D182 PolarHBondContact OH-OD2 3.4Å
72	G	72.8	Confident	86.4	Confident	19 Å²	19	65.3 Å²	65.3	20%	0.196	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	112.1	-160.3	-179	0	0	0	0	0	113.3	G69	G69-G72 PolarHBondContact N-O 2.92Å; G69-G72 PolarHBondContact O-N 2.82Å
73	R	84	Confident	86.2	Confident	99 Å²	99	65.8 Å²	65.8	37%	0.374	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.1	-178.1	-64	-178	-63.5	176.2	-0.9	111.1	I75 K89 E90	R73-I75 HydrophobicContact CB-CG1 4.47Å; R73-K89 WeakPolarHBondContact O-CA 3.36Å; R73-E90 IonicContact CZ-OE1 3.69Å; R73-E90 IonicContact CZ-OE2 3.06Å; R73-E90 VanDerWaalsContact CZ-OE2 3.24Å; R73-E90 IonicContact NE-OE1 3.82Å; R73-E90 IonicContact NE-OE2 3.75Å; R73-E90 PolarHBondContact NE-OE2 3.25Å; R73-E90 VanDerWaalsContact NH2-CD 3.26Å; R73-E90 IonicContact NH2-OE1 3.38Å; R73-E90 PolarHBondContact NH2-OE1 2.88Å; R73-E90 IonicContact NH2-OE2 3.67Å; R73-E90 PolarHBondContact NH2-OE2 2.82Å; R73-E90 PolarHBondContact O-N 3.24Å
74	A	89.1	Confident	86.1	Confident	19 Å²	19	63 Å²	63	16%	0.157	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.5	168.7	0	0	0	0	0	108.7	I66 G67 V87 L88 K89	I66-A74 HydrophobicContact CD1-CB 4.26Å; I66-A74 HydrophobicContact CG1-CB 3.83Å; I66-A74 WeakPolarHBondContact CG1-O 3.45Å; I66-A74 PolarHBondContact N-O 2.78Å; G67-A74 PolarHBondContact N-O 2.89Å; G67-A74 PolarHBondContact O-N 2.79Å; A74-V87 HydrophobicContact CB-CG1 3.94Å; A74-L88 WeakPolarHBondContact CA-O 3.38Å; A74-K89 HydrophobicContact CB-CG 4.34Å
75	I	93.8	Very high	86.2	Confident	9 Å²	9	65 Å²	65	5%	0.046	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.4	-175.4	-59.3	173.4	0	0	0	108	I62 R73 V77 V87 L88	I62-I75 HydrophobicContact CG2-CG2 3.72Å; R73-I75 HydrophobicContact CB-CG1 4.47Å; I75-V77 HydrophobicContact CG2-CG1 4.05Å; I75-V77 PolarHBondContact O-N 3.03Å; I75-V87 CarbonylContact O-C 3.59Å; I75-V87 WeakPolarHBondContact O-CA 3.22Å; I75-L88 HydrophobicContact CB-CB 4.4Å; I75-L88 HydrophobicContact CD1-CD2 4.36Å; I75-L88 PolarHBondContact N-O 2.81Å; I75-L88 PolarHBondContact O-N 2.8Å
76	K	95.9	Very high	86.4	Confident	46 Å²	46	60.2 Å²	60.2	20%	0.2	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128.1	171.9	-174.1	176	-176	170.5	0	108.8	L63 G64 I66 Y136	L63-K76 HydrophobicContact CB-CB 4.41Å; L63-K76 HydrophobicContact CB-CG 4.25Å; L63-K76 WeakPolarHBondContact CB-O 3.4Å; L63-K76 HydrophobicContact CD1-CD 4.36Å; L63-K76 HydrophobicContact CD1-CG 4.17Å; L63-K76 PolarHBondContact N-O 3.05Å; G64-K76 PolarHBondContact N-O 3.33Å; G64-K76 PolarHBondContact O-N 2.82Å; I66-K76 HydrophobicContact CG2-CB 3.65Å; I66-K76 HydrophobicContact CG2-CD 4.42Å; K76-Y136 HydrophobicContact CD-CD2 4.29Å; K76-Y136 HydrophobicContact CD-CE1 4.48Å; K76-Y136 HydrophobicContact CD-CE2 3.87Å; K76-Y136 HydrophobicContact CG-CD2 4.23Å; K76-Y136 HydrophobicContact CG-CE2 4.27Å; K76-Y136 VanDerWaalsContact NZ-CZ 3.34Å; K76-Y136 PolarHBondContact NZ-OH 3.43Å
77	V	96.4	Very high	86.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	157.9	178.4	-55.8	0	0	0	0	110	L60 E61 I62 I75 L86 L88	L60-V77 HydrophobicContact CB-CB 4.43Å; L60-V77 HydrophobicContact CD1-CG2 4.42Å; L60-V77 HydrophobicContact CD2-CG2 4.05Å; E61-V77 CarbonylContact O-C 3.56Å; E61-V77 WeakPolarHBondContact O-CA 3.29Å; E61-V77 WeakPolarHBondContact O-CB 3.42Å; I62-V77 HydrophobicContact CG1-CG1 4.38Å; I75-V77 HydrophobicContact CG2-CG1 4.05Å; I75-V77 PolarHBondContact O-N 3.03Å; V77-L86 HydrophobicContact CG2-CB 3.76Å; V77-L86 PolarHBondContact N-O 2.89Å; V77-L86 PolarHBondContact O-N 3.19Å; V77-L86 VanDerWaalsContact O-O 3.14Å; V77-L88 HydrophobicContact CG1-CB 3.94Å; V77-L88 HydrophobicContact CG1-CD1 4.46Å; V77-L88 HydrophobicContact CG2-CB 4.46Å
78	K	96.5	Very high	87.1	Confident	56 Å²	56	55 Å²	55	24%	0.243	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.2	173.4	-177.5	-177.8	176.2	-163.2	0	108.8	E61 L63 R80 N83 C84 L85	E61-K78 HydrophobicContact CB-CB 4.29Å; E61-K78 PolarHBondContact N-O 3.03Å; E61-K78 PolarHBondContact O-N 3.12Å; L63-K78 HydrophobicContact CD1-CB 3.92Å; L63-K78 HydrophobicContact CD2-CB 4.35Å; L63-K78 HydrophobicContact CG-CB 4.17Å; K78-R80 PolarHBondContact O-N 3.48Å; K78-N83 WeakPolarHBondContact CE-OD1 3.39Å; K78-N83 PolarHBondContact NZ-OD1 3.43Å; K78-C84 WeakPolarHBondContact CA-O 3.13Å; K78-L85 HydrophobicContact CB-CD2 4.16Å; K78-L85 HydrophobicContact CG-CD2 4.36Å
79	H	95.1	Very high	87.6	Confident	17 Å²	17	52.6 Å²	52.6	8%	0.079	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	122.8	172.6	-179.2	-112.1	0	0	0	109.6	F51 D59 L60 Q81 S82 N83 C84 L86	F51-H79 HydrophobicContact CE1-CB 4.05Å; F51-H79 AromaticContact CE1-CE1 3.8Å; F51-H79 AromaticContact CE1-CG 3.64Å; F51-H79 AromaticContact CE1-ND1 3.5Å; F51-H79 HydrophobicContact CZ-CB 4.5Å; D59-H79 WeakPolarHBondContact O-CA 3.28Å; D59-H79 PolarHBondContact O-CD2 3.27Å; L60-H79 HydrophobicContact CD2-CB 4.38Å; H79-Q81 PolarHBondContact O-N 3.06Å; H79-S82 WeakPolarHBondContact ND1-CB 3.37Å; H79-S82 PolarHBondContact ND1-N 3.34Å; H79-S82 PolarHBondContact ND1-OG 3.11Å; H79-N83 WeakPolarHBondContact O-CA 3.32Å; H79-N83 PolarHBondContact O-N 3.07Å; H79-C84 PolarHBondContact N-O 2.91Å; H79-L86 HydrophobicContact CB-CD1 4.04Å
80	R	94.6	Very high	88.2	Confident	136 Å²	136	51 Å²	51	51%	0.513	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-41.2	-169.5	-69.7	-179.7	-178.3	-77	-2.9	113.2	K58 D59 E61 K78	K58-R80 WeakPolarHBondContact O-CD 3.27Å; K58-R80 PolarHBondContact O-NE 2.8Å; K58-R80 VanDerWaalsContact O-NE 3.09Å; D59-R80 WeakPolarHBondContact O-CG 3.5Å; D59-R80 PolarHBondContact O-N 3.28Å; E61-R80 HydrophobicContact CB-CG 4.37Å; K78-R80 PolarHBondContact O-N 3.48Å
81	Q	91.8	Very high	88.7	Confident	146 Å²	146	47.5 Å²	47.5	68%	0.682	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-43.5	-174.4	-57	177.7	6.1	0	0	112.1	H79	H79-Q81 PolarHBondContact O-N 3.06Å
82	S	91.7	Very high	88.4	Confident	38 Å²	38	47.5 Å²	47.5	27%	0.266	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-10.7	-176.7	69.5	0	0	0	0	113.8	H79 C84	H79-S82 WeakPolarHBondContact ND1-CB 3.37Å; H79-S82 PolarHBondContact ND1-N 3.34Å; H79-S82 PolarHBondContact ND1-OG 3.11Å; S82-C84 PolarHBondContact O-N 2.92Å; S82-C84 VanDerWaalsContact O-N 3.12Å; S82-C84 WeakPolarHBondContact OG-CB 3.45Å; S82-C84 PolarHBondContact OG-N 3.3Å; S82-C84 PolarHBondContact OG-SG 2.8Å
83	N	92.9	Very high	87.7	Confident	99 Å²	99	50.3 Å²	50.3	53%	0.529	24%	0.243	S	C	.	.			trans	57.8	12.8	-169.8	-68.3	-69.3	0	0	0	115	K78 H79	K78-N83 WeakPolarHBondContact CE-OD1 3.39Å; K78-N83 PolarHBondContact NZ-OD1 3.43Å; H79-N83 WeakPolarHBondContact O-CA 3.32Å; H79-N83 PolarHBondContact O-N 3.07Å
84	C	92.9	Very high	86.2	Confident	24 Å²	24	52.9 Å²	52.9	16%	0.162	26%	0.259	C	S	.	.			trans	-71	137.2	179.4	-63.1	0	0	0	0	111.5	F51 K78 H79 S82	F51-C84 HydrophobicContact CZ-CB 4.06Å; K78-C84 WeakPolarHBondContact CA-O 3.13Å; H79-C84 PolarHBondContact N-O 2.91Å; S82-C84 PolarHBondContact O-N 2.92Å; S82-C84 VanDerWaalsContact O-N 3.12Å; S82-C84 WeakPolarHBondContact OG-CB 3.45Å; S82-C84 PolarHBondContact OG-N 3.3Å; S82-C84 PolarHBondContact OG-SG 2.8Å
85	L	95.6	Very high	84.7	Confident	72 Å²	72	56 Å²	56	38%	0.377	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	131.8	169.7	-64.9	177.1	0	0	0	110.1	L63 K78 Y136	L63-L85 HydrophobicContact CD1-CD2 3.48Å; L63-L85 VanDerWaalsContact CD1-CD2 3.48Å; K78-L85 HydrophobicContact CB-CD2 4.16Å; K78-L85 HydrophobicContact CG-CD2 4.36Å; L85-Y136 HydrophobicContact CB-CD1 4.03Å; L85-Y136 HydrophobicContact CB-CG 4.23Å; L85-Y136 HydrophobicContact CD1-CD1 4.08Å; L85-Y136 HydrophobicContact CD1-CE1 4.34Å; L85-Y136 WeakPolarHBondContact O-CB 2.86Å
86	L	95.4	Very high	83.1	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.016	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	169.4	-177.1	-58	171.9	0	0	0	109.6	F51 L60 V77 H79 V121 I133 T134	F51-L86 HydrophobicContact CE1-CD1 4.36Å; F51-L86 HydrophobicContact CZ-CD1 4.25Å; L60-L86 HydrophobicContact CD2-CD1 4.38Å; V77-L86 HydrophobicContact CG2-CB 3.76Å; V77-L86 PolarHBondContact N-O 2.89Å; V77-L86 PolarHBondContact O-N 3.19Å; V77-L86 VanDerWaalsContact O-O 3.14Å; H79-L86 HydrophobicContact CB-CD1 4.04Å; L86-V121 HydrophobicContact CD2-CG2 3.98Å; L86-I133 HydrophobicContact CB-CG2 3.92Å; L86-I133 HydrophobicContact CD1-CG2 3.74Å; L86-I133 HydrophobicContact CD2-CG2 4.45Å; L86-I133 HydrophobicContact CG-CG2 4.25Å; L86-T134 CarbonylContact C-O 3.5Å; L86-T134 WeakPolarHBondContact CA-O 3.4Å; L86-T134 WeakPolarHBondContact CB-O 3.3Å
87	V	94.1	Very high	81.4	Confident	8 Å²	8	65.2 Å²	65.2	5%	0.048	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127	172.1	179	0	0	0	0	109.2	I66 A74 I75 K89 I133 T134 Y136	I66-V87 HydrophobicContact CD1-CB 4.46Å; I66-V87 HydrophobicContact CD1-CG1 3.95Å; I66-V87 HydrophobicContact CD1-CG2 3.64Å; A74-V87 HydrophobicContact CB-CG1 3.94Å; I75-V87 CarbonylContact O-C 3.59Å; I75-V87 WeakPolarHBondContact O-CA 3.22Å; V87-K89 HydrophobicContact CG1-CG 3.98Å; V87-I133 CarbonylContact O-C 3.55Å; V87-I133 VanDerWaalsContact O-CA 3.3Å; V87-I133 WeakPolarHBondContact O-CA 3.46Å; V87-T134 PolarHBondContact N-O 2.8Å; V87-T134 PolarHBondContact O-N 2.76Å; V87-Y136 HydrophobicContact CG2-CD2 3.71Å; V87-Y136 HydrophobicContact CG2-CG 4.42Å
88	L	92.3	Very high	79.8	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115	169.3	-176.6	162.4	0	0	0	108.2	L60 A74 I75 V77 E90 V124 C131 L132 I133	L60-L88 HydrophobicContact CD1-CD1 4.39Å; A74-L88 WeakPolarHBondContact CA-O 3.38Å; I75-L88 HydrophobicContact CB-CB 4.4Å; I75-L88 HydrophobicContact CD1-CD2 4.36Å; I75-L88 PolarHBondContact N-O 2.81Å; I75-L88 PolarHBondContact O-N 2.8Å; V77-L88 HydrophobicContact CG1-CB 3.94Å; V77-L88 HydrophobicContact CG1-CD1 4.46Å; V77-L88 HydrophobicContact CG2-CB 4.46Å; L88-E90 HydrophobicContact CD2-CG 3.8Å; L88-V124 HydrophobicContact CD1-CG1 3.62Å; L88-V124 HydrophobicContact CG-CG1 4.01Å; L88-C131 HydrophobicContact CD1-CB 4.36Å; L88-C131 HydrophobicContact CD2-CB 3.56Å; L88-C131 HydrophobicContact CG-CB 3.72Å; L88-L132 CarbonylContact C-O 3.57Å; L88-L132 WeakPolarHBondContact CA-O 3.47Å; L88-I133 HydrophobicContact CB-CD1 3.64Å; L88-I133 HydrophobicContact CD1-CD1 4.11Å; L88-I133 HydrophobicContact CG-CD1 3.76Å
89	K	86.8	Confident	78.3	Confident	40 Å²	40	67 Å²	67	17%	0.174	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.9	172.4	-63.2	-167.3	-177.1	-168.1	0	109.6	R73 A74 V87 V91 C131 L132 D200	R73-K89 WeakPolarHBondContact O-CA 3.36Å; A74-K89 HydrophobicContact CB-CG 4.34Å; V87-K89 HydrophobicContact CG1-CG 3.98Å; K89-V91 PolarHBondContact O-N 3.27Å; K89-C131 CarbonylContact O-C 3.59Å; K89-C131 WeakPolarHBondContact O-CA 3.2Å; K89-C131 WeakPolarHBondContact O-CB 3.25Å; K89-L132 HydrophobicContact CB-CB 4.5Å; K89-L132 PolarHBondContact N-O 3.38Å; K89-L132 PolarHBondContact O-N 3.19Å; K89-D200 IonicContact NZ-OD1 2.81Å; K89-D200 PolarHBondContact NZ-OD1 2.91Å; K89-D200 IonicContact NZ-OD2 2.73Å; K89-D200 PolarHBondContact NZ-OD2 3.12Å
90	E	79.7	Confident	76.9	Confident	20 Å²	20	69.3 Å²	69.3	9%	0.093	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	117	176.8	-63.9	179.2	163.3	0	0	109.2	R73 L88 R126	R73-E90 IonicContact CZ-OE1 3.69Å; R73-E90 IonicContact CZ-OE2 3.06Å; R73-E90 VanDerWaalsContact CZ-OE2 3.24Å; R73-E90 IonicContact NE-OE1 3.82Å; R73-E90 IonicContact NE-OE2 3.75Å; R73-E90 PolarHBondContact NE-OE2 3.25Å; R73-E90 VanDerWaalsContact NH2-CD 3.26Å; R73-E90 IonicContact NH2-OE1 3.38Å; R73-E90 PolarHBondContact NH2-OE1 2.88Å; R73-E90 IonicContact NH2-OE2 3.67Å; R73-E90 PolarHBondContact NH2-OE2 2.82Å; R73-E90 PolarHBondContact O-N 3.24Å; L88-E90 HydrophobicContact CD2-CG 3.8Å; E90-R126 IonicContact OE1-CZ 3.33Å; E90-R126 IonicContact OE1-NH1 3.17Å; E90-R126 PolarHBondContact OE1-NH1 3.21Å
91	V	68.8	Low	75.5	Confident	29 Å²	29	64.8 Å²	64.8	18%	0.176	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-88.5	121.9	174.5	-177.3	0	0	0	0	108.1	K89 E93 F130 L132	K89-V91 PolarHBondContact O-N 3.27Å; V91-E93 VanDerWaalsContact C-N 3.28Å; V91-E93 PolarHBondContact O-N 3.3Å; V91-F130 WeakPolarHBondContact CB-O 3.26Å; V91-F130 PolarHBondContact N-O 2.97Å; V91-L132 HydrophobicContact CG2-CD1 3.76Å; V91-L132 HydrophobicContact CG2-CG 3.78Å
92	I	55.5	Low	74.3	Confident	115 Å²	115	58.3 Å²	58.3	59%	0.59	32%	0.319	S	S	*	.			trans	-77.7	76.8	-176.8	-49.9	170.6	0	0	0	109.1
93	E	58.4	Low	73.2	Confident	78 Å²	78	58.3 Å²	58.3	36%	0.364	32%	0.317	S	S	.	.			trans	-154.5	131.7	161.8	-159.4	81.3	-120.3	0	0	111.2	V91 I98 I210	V91-E93 VanDerWaalsContact C-N 3.28Å; V91-E93 PolarHBondContact O-N 3.3Å; E93-I98 HydrophobicContact CG-CD1 4.26Å; E93-I210 HydrophobicContact CB-CD1 4.42Å; E93-I210 HydrophobicContact CG-CD1 4.05Å
94	Q	54	Low	72.1	Confident	154 Å²	154	61.1 Å²	61.1	72%	0.72	32%	0.32	S	S	*	.			trans	-101	7.9	-171.7	-64.7	-175.4	-2.8	0	0	114.1	K96	Q94-K96 PolarHBondContact O-N 2.97Å
95	N	57.5	Low	70.9	Confident	84 Å²	84	62 Å²	62	45%	0.449	32%	0.322	S	S	.	.			trans	-92.3	104.8	-168.7	-171.5	-7.1	0	0	0	112.3	A97 I98	N95-A97 PolarHBondContact O-N 3.21Å; N95-A97 WeakPolarHBondContact OD1-CB 3.45Å; N95-A97 PolarHBondContact OD1-N 3.12Å; N95-I98 HydrophobicContact CB-CD1 3.51Å; N95-I98 HydrophobicContact CB-CG1 3.76Å; N95-I98 WeakPolarHBondContact O-CB 3.48Å; N95-I98 WeakPolarHBondContact O-CG1 3.46Å; N95-I98 PolarHBondContact O-N 3.12Å
96	K	59.7	Low	69.7	Low	159 Å²	159	58.7 Å²	58.7	69%	0.691	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-56.2	-28	176.6	-73.6	-173	174.7	-173.6	0	114.2	Q94 I98 E99	Q94-K96 PolarHBondContact O-N 2.97Å; K96-I98 PolarHBondContact O-N 3.25Å; K96-I98 VanDerWaalsContact O-N 3.12Å; K96-E99 WeakPolarHBondContact O-CB 3.44Å; K96-E99 PolarHBondContact O-N 3.43Å
97	A	59.2	Low	68.5	Low	89 Å²	89	60.6 Å²	60.6	74%	0.736	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-66.1	-14	178.2	0	0	0	0	0	112.9	N95	N95-A97 PolarHBondContact O-N 3.21Å; N95-A97 WeakPolarHBondContact OD1-CB 3.45Å; N95-A97 PolarHBondContact OD1-N 3.12Å
98	I	64	Low	67.4	Low	10 Å²	10	65.5 Å²	65.5	5%	0.051	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-98.3	-8.3	-177.1	-43.2	-178.8	0	0	0	111.3	E93 N95 K96 A100 T101 I102 I210	E93-I98 HydrophobicContact CG-CD1 4.26Å; N95-I98 HydrophobicContact CB-CD1 3.51Å; N95-I98 HydrophobicContact CB-CG1 3.76Å; N95-I98 WeakPolarHBondContact O-CB 3.48Å; N95-I98 WeakPolarHBondContact O-CG1 3.46Å; N95-I98 PolarHBondContact O-N 3.12Å; K96-I98 PolarHBondContact O-N 3.25Å; K96-I98 VanDerWaalsContact O-N 3.12Å; I98-A100 PolarHBondContact O-N 3.48Å; I98-T101 CarbonylContact O-C 3.58Å; I98-T101 WeakPolarHBondContact O-CA 3.49Å; I98-T101 WeakPolarHBondContact O-CB 3.4Å; I98-T101 PolarHBondContact O-N 2.87Å; I98-I102 HydrophobicContact CB-CD1 4.07Å; I98-I102 HydrophobicContact CB-CG1 4.46Å; I98-I102 HydrophobicContact CG2-CD1 3.83Å; I98-I102 HydrophobicContact CG2-CG1 3.77Å; I98-I102 WeakPolarHBondContact O-CG1 3.3Å; I98-I102 PolarHBondContact O-N 2.8Å; I98-I210 HydrophobicContact CD1-CB 4.09Å; I98-I210 HydrophobicContact CD1-CD1 4.06Å; I98-I210 HydrophobicContact CD1-CG1 3.85Å; I98-I210 HydrophobicContact CD1-CG2 3.36Å; I98-I210 HydrophobicContact CG2-CD1 4.23Å; I98-I210 HydrophobicContact CG2-CG1 3.72Å
99	E	63.5	Low	66.5	Low	84 Å²	84	66.4 Å²	66.4	39%	0.393	35%	0.348	S	S	.	.	H	α-helix	trans	-50	-52	-177.4	167.5	164.5	-160.7	0	0	112.6	K96 T101 I102 V103 F130	K96-E99 WeakPolarHBondContact O-CB 3.44Å; K96-E99 PolarHBondContact O-N 3.43Å; E99-T101 VanDerWaalsContact C-N 3.27Å; E99-T101 PolarHBondContact O-N 3.17Å; E99-I102 PolarHBondContact O-N 2.93Å; E99-V103 WeakPolarHBondContact O-CB 3.49Å; E99-V103 VanDerWaalsContact O-CG2 3.3Å; E99-V103 WeakPolarHBondContact O-CG2 3.17Å; E99-V103 PolarHBondContact O-N 3.31Å; E99-F130 HydrophobicContact CB-CE2 3.77Å; E99-F130 HydrophobicContact CB-CZ 3.72Å; E99-F130 VanDerWaalsContact CD-CZ 3.47Å; E99-F130 HydrophobicContact CG-CE1 4.18Å; E99-F130 HydrophobicContact CG-CE2 3.94Å; E99-F130 HydrophobicContact CG-CZ 3.33Å
100	A	66.2	Low	66.1	Low	65 Å²	65	66.1 Å²	66.1	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-64.1	-32.4	-179.6	0	0	0	0	0	112.9	I98 R104	I98-A100 PolarHBondContact O-N 3.48Å; A100-R104 VanDerWaalsContact O-CB 3.3Å; A100-R104 WeakPolarHBondContact O-CB 3.46Å; A100-R104 PolarHBondContact O-N 2.91Å; A100-R104 VanDerWaalsContact O-N 3.12Å
101	T	66.5	Low	66.1	Low	42 Å²	42	70.5 Å²	70.5	26%	0.258	37%	0.372	S	S	.	.	H	α-helix	trans	-72.7	-45.3	176.3	-57.4	0	0	0	0	110.5	I98 E99 R104 E105	I98-T101 CarbonylContact O-C 3.58Å; I98-T101 WeakPolarHBondContact O-CA 3.49Å; I98-T101 WeakPolarHBondContact O-CB 3.4Å; I98-T101 PolarHBondContact O-N 2.87Å; E99-T101 VanDerWaalsContact C-N 3.27Å; E99-T101 PolarHBondContact O-N 3.17Å; T101-R104 PolarHBondContact O-N 2.84Å; T101-E105 WeakPolarHBondContact O-CB 3.34Å; T101-E105 WeakPolarHBondContact O-CG 3.47Å; T101-E105 PolarHBondContact O-N 3.22Å
102	I	66.7	Low	66.7	Low	10 Å²	10	70 Å²	70	5%	0.051	37%	0.368	C	S	.	.	H	α-helix	trans	-60.2	-49.5	177.2	-69.6	163.1	0	0	0	110.1	I98 E99 R104 E105 V106 F130 L206	I98-I102 HydrophobicContact CB-CD1 4.07Å; I98-I102 HydrophobicContact CB-CG1 4.46Å; I98-I102 HydrophobicContact CG2-CD1 3.83Å; I98-I102 HydrophobicContact CG2-CG1 3.77Å; I98-I102 WeakPolarHBondContact O-CG1 3.3Å; I98-I102 PolarHBondContact O-N 2.8Å; E99-I102 PolarHBondContact O-N 2.93Å; I102-R104 VanDerWaalsContact C-N 3.31Å; I102-R104 PolarHBondContact O-N 3.48Å; I102-E105 PolarHBondContact O-N 2.83Å; I102-V106 HydrophobicContact CG2-CG2 4.21Å; I102-V106 WeakPolarHBondContact O-CB 3.42Å; I102-V106 VanDerWaalsContact O-CG2 3.26Å; I102-V106 WeakPolarHBondContact O-CG2 3.14Å; I102-V106 PolarHBondContact O-N 2.77Å; I102-F130 HydrophobicContact CD1-CD2 4.11Å; I102-F130 HydrophobicContact CG2-CB 4.39Å; I102-F130 HydrophobicContact CG2-CG 4.3Å; I102-L206 HydrophobicContact CB-CD1 4.28Å; I102-L206 HydrophobicContact CG1-CD1 4.05Å; I102-L206 HydrophobicContact CG2-CD1 4.28Å
103	V	68.7	Low	68.3	Low	38 Å²	38	70.4 Å²	70.4	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-61	-41.4	179.3	172.8	0	0	0	0	111.1	E99 S107 F130	E99-V103 WeakPolarHBondContact O-CB 3.49Å; E99-V103 VanDerWaalsContact O-CG2 3.3Å; E99-V103 WeakPolarHBondContact O-CG2 3.17Å; E99-V103 PolarHBondContact O-N 3.31Å; V103-S107 WeakPolarHBondContact O-CB 3.41Å; V103-S107 PolarHBondContact O-N 2.93Å; V103-S107 PolarHBondContact O-OG 3.17Å; V103-F130 HydrophobicContact CG2-CE1 4.38Å
104	R	68.3	Low	69.9	Low	158 Å²	158	68.2 Å²	68.2	60%	0.596	36%	0.355	S	S	*	.	H	α-helix	trans	-62.4	-45.5	175.7	-172.4	-172.5	-60.8	133.8	1.6	111.4	A100 T101 I102 S107 L108	A100-R104 VanDerWaalsContact O-CB 3.3Å; A100-R104 WeakPolarHBondContact O-CB 3.46Å; A100-R104 PolarHBondContact O-N 2.91Å; A100-R104 VanDerWaalsContact O-N 3.12Å; T101-R104 PolarHBondContact O-N 2.84Å; I102-R104 VanDerWaalsContact C-N 3.31Å; I102-R104 PolarHBondContact O-N 3.48Å; R104-S107 WeakPolarHBondContact O-CB 3.04Å; R104-S107 PolarHBondContact O-N 3.18Å; R104-L108 WeakPolarHBondContact O-CG 3.46Å; R104-L108 PolarHBondContact O-N 3.45Å; R104-L108 VanDerWaalsContact O-N 3.07Å
105	E	67.7	Low	71.9	Confident	43 Å²	43	64.4 Å²	64.4	20%	0.201	34%	0.343	C	S	.	.	H	α-helix	trans	-69.9	-39.1	-179.2	-72.2	-169.4	172.6	0	0	112.4	T101 I102 S107 L108 L109 L206 S209	T101-E105 WeakPolarHBondContact O-CB 3.34Å; T101-E105 WeakPolarHBondContact O-CG 3.47Å; T101-E105 PolarHBondContact O-N 3.22Å; I102-E105 PolarHBondContact O-N 2.83Å; E105-S107 VanDerWaalsContact C-N 3.3Å; E105-S107 PolarHBondContact O-N 2.8Å; E105-L108 WeakPolarHBondContact O-CB 3.38Å; E105-L108 PolarHBondContact O-N 2.65Å; E105-L108 VanDerWaalsContact O-N 3.11Å; E105-L109 WeakPolarHBondContact O-CG 3.49Å; E105-L109 PolarHBondContact O-N 2.85Å; E105-L206 HydrophobicContact CB-CD1 3.75Å; E105-L206 VanDerWaalsContact OE2-CA 3.25Å; E105-L206 WeakPolarHBondContact OE2-CA 3.34Å; E105-L206 WeakPolarHBondContact OE2-CD1 3.36Å; E105-S209 WeakPolarHBondContact OE1-CB 3.45Å; E105-S209 PolarHBondContact OE1-OG 3.3Å; E105-S209 PolarHBondContact OE2-OG 2.98Å
106	V	70.9	Confident	73.8	Confident	2 Å²	2	61 Å²	61	1%	0.012	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-42	170.8	169.1	0	0	0	0	110.9	I102 L108 L109 Q110 I120 V123 L132	I102-V106 HydrophobicContact CG2-CG2 4.21Å; I102-V106 WeakPolarHBondContact O-CB 3.42Å; I102-V106 VanDerWaalsContact O-CG2 3.26Å; I102-V106 WeakPolarHBondContact O-CG2 3.14Å; I102-V106 PolarHBondContact O-N 2.77Å; V106-L108 VanDerWaalsContact C-N 3.25Å; V106-L108 PolarHBondContact O-N 3.48Å; V106-L109 CarbonylContact O-C 3.58Å; V106-L109 PolarHBondContact O-N 2.81Å; V106-Q110 HydrophobicContact CG1-CG 4.32Å; V106-Q110 WeakPolarHBondContact O-CG 3.3Å; V106-Q110 PolarHBondContact O-N 3.17Å; V106-I120 HydrophobicContact CG1-CG2 4.22Å; V106-V123 HydrophobicContact CB-CG1 4.22Å; V106-V123 HydrophobicContact CG1-CG1 3.79Å; V106-V123 HydrophobicContact CG2-CG1 3.77Å; V106-L132 HydrophobicContact CG1-CD2 4.41Å; V106-L132 HydrophobicContact CG2-CD2 3.5Å; V106-L132 VanDerWaalsContact CG2-CD2 3.5Å
107	S	69.5	Low	75.5	Confident	43 Å²	43	53.4 Å²	53.4	30%	0.301	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-36.4	175.8	-57.3	0	0	0	0	111.6	V103 R104 E105 N111	V103-S107 WeakPolarHBondContact O-CB 3.41Å; V103-S107 PolarHBondContact O-N 2.93Å; V103-S107 PolarHBondContact O-OG 3.17Å; R104-S107 WeakPolarHBondContact O-CB 3.04Å; R104-S107 PolarHBondContact O-N 3.18Å; E105-S107 VanDerWaalsContact C-N 3.3Å; E105-S107 PolarHBondContact O-N 2.8Å; S107-N111 PolarHBondContact O-N 2.91Å; S107-N111 PolarHBondContact O-ND2 2.89Å
108	L	71.5	Confident	77.1	Confident	111 Å²	111	49.4 Å²	49.4	58%	0.581	26%	0.259	S	S	*	.	H	α-helix	trans	-67.1	-40.4	172.9	-65.9	173.6	0	0	0	111.7	R104 E105 V106 N111	R104-L108 WeakPolarHBondContact O-CG 3.46Å; R104-L108 PolarHBondContact O-N 3.45Å; R104-L108 VanDerWaalsContact O-N 3.07Å; E105-L108 WeakPolarHBondContact O-CB 3.38Å; E105-L108 PolarHBondContact O-N 2.65Å; E105-L108 VanDerWaalsContact O-N 3.11Å; V106-L108 VanDerWaalsContact C-N 3.25Å; V106-L108 PolarHBondContact O-N 3.48Å; L108-N111 WeakPolarHBondContact O-CB 3.42Å; L108-N111 PolarHBondContact O-N 2.91Å
109	L	73.3	Confident	78.3	Confident	20 Å²	20	50 Å²	50	11%	0.105	26%	0.263	C	S	.	.	H	α-helix	trans	-69	-34.3	177.6	-65.4	174.1	0	0	0	112.7	E105 V106 N111 L112 I120 F201	E105-L109 WeakPolarHBondContact O-CG 3.49Å; E105-L109 PolarHBondContact O-N 2.85Å; V106-L109 CarbonylContact O-C 3.58Å; V106-L109 PolarHBondContact O-N 2.81Å; L109-N111 PolarHBondContact O-N 2.73Å; L109-L112 HydrophobicContact CD2-CD1 3.9Å; L109-L112 VanDerWaalsContact O-CB 3.32Å; L109-L112 WeakPolarHBondContact O-CB 3.29Å; L109-L112 PolarHBondContact O-N 3.16Å; L109-I120 HydrophobicContact CB-CD1 3.5Å; L109-I120 HydrophobicContact CD1-CD1 3.87Å; L109-I120 HydrophobicContact CG-CD1 4.22Å; L109-F201 HydrophobicContact CD2-CD2 4.42Å; L109-F201 HydrophobicContact CD2-CE2 4.26Å
110	Q	78.2	Confident	79.5	Confident	34 Å²	34	46.9 Å²	46.9	16%	0.159	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-25.3	173.7	-75.6	-178.6	-50.8	0	0	112.9	V106 L112 I120 V121	V106-Q110 HydrophobicContact CG1-CG 4.32Å; V106-Q110 WeakPolarHBondContact O-CG 3.3Å; V106-Q110 PolarHBondContact O-N 3.17Å; Q110-L112 VanDerWaalsContact C-N 3.27Å; Q110-I120 HydrophobicContact CG-CB 4.47Å; Q110-I120 HydrophobicContact CG-CG2 3.94Å; Q110-V121 PolarHBondContact NE2-O 2.8Å
111	N	80	Confident	80.5	Confident	113 Å²	113	44.7 Å²	44.7	60%	0.604	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.2	175.5	-68.9	-39.8	0	0	0	113	S107 L108 L109 K113	S107-N111 PolarHBondContact O-N 2.91Å; S107-N111 PolarHBondContact O-ND2 2.89Å; L108-N111 WeakPolarHBondContact O-CB 3.42Å; L108-N111 PolarHBondContact O-N 2.91Å; L109-N111 PolarHBondContact O-N 2.73Å; N111-K113 PolarHBondContact O-N 3.12Å; N111-K113 VanDerWaalsContact O-N 3.12Å
112	L	81.9	Confident	81.4	Confident	18 Å²	18	42.7 Å²	42.7	9%	0.094	22%	0.216	C	C	.	.			trans	-76	100.2	173.9	-62.2	175.4	0	0	0	109.3	L109 Q110 Y172 L173 H176 F201	L109-L112 HydrophobicContact CD2-CD1 3.9Å; L109-L112 VanDerWaalsContact O-CB 3.32Å; L109-L112 WeakPolarHBondContact O-CB 3.29Å; L109-L112 PolarHBondContact O-N 3.16Å; Q110-L112 VanDerWaalsContact C-N 3.27Å; L112-Y172 WeakPolarHBondContact CA-OH 3.49Å; L112-Y172 HydrophobicContact CB-CE1 4.02Å; L112-Y172 HydrophobicContact CD2-CE1 3.82Å; L112-L173 HydrophobicContact CD1-CD2 4.18Å; L112-H176 HydrophobicContact CD2-CB 4.26Å; L112-F201 HydrophobicContact CD1-CD2 4.12Å; L112-F201 HydrophobicContact CD1-CE2 3.7Å
113	K	88.1	Confident	82.3	Confident	124 Å²	124	42.4 Å²	42.4	54%	0.539	22%	0.215	S	C	.	.			trans	-119.3	104.2	-176.3	-69.2	-169.5	-179.5	-176.8	0	109.9	N111 Y172	N111-K113 PolarHBondContact O-N 3.12Å; N111-K113 VanDerWaalsContact O-N 3.12Å; K113-Y172 PolarHBondContact N-OH 3.16Å
114	H	93.7	Very high	83.2	Confident	31 Å²	31	40.7 Å²	40.7	14%	0.144	20%	0.204	C	C	.	.			trans	-147.9	142	177.2	-175.3	-89.7	0	0	0	110.3	N116 I117 S168 Y172	H114-N116 PolarHBondContact CE1-OD1 3.39Å; H114-N116 PolarHBondContact ND1-N 3.29Å; H114-N116 VanDerWaalsContact ND1-N 3.12Å; H114-N116 PolarHBondContact O-N 3.18Å; H114-N116 VanDerWaalsContact O-N 3.16Å; H114-I117 HydrophobicContact CB-CB 3.93Å; H114-I117 HydrophobicContact CB-CG1 3.75Å; H114-I117 PolarHBondContact O-N 3.26Å; H114-I117 VanDerWaalsContact O-N 3.1Å; H114-S168 PolarHBondContact CE1-O 3.1Å; H114-S168 PolarHBondContact CE1-OG 3.29Å; H114-S168 PolarHBondContact NE2-OG 2.87Å; H114-Y172 HydrophobicContact CB-CD1 3.72Å; H114-Y172 HydrophobicContact CB-CD2 3.94Å; H114-Y172 HydrophobicContact CB-CE1 3.98Å; H114-Y172 HydrophobicContact CB-CE2 4.2Å; H114-Y172 HydrophobicContact CB-CG 3.69Å; H114-Y172 AromaticContact CD2-CD2 3.66Å; H114-Y172 AromaticContact CD2-CG 3.72Å; H114-Y172 AromaticContact CG-CG 3.76Å
115	P	95.1	Very high	84	Confident	74 Å²	74	37.2 Å²	37.2	48%	0.481	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.6	-177.1	20.8	-34.4	0	0	0	114.2	R191 V197	P115-R191 PolarHBondContact O-NH1 2.95Å; P115-V197 WeakPolarHBondContact O-CG1 3.47Å
116	N	97.4	Very high	84.8	Confident	13 Å²	13	36.7 Å²	36.7	7%	0.07	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	20.7	179.7	-52.3	103.4	0	0	0	114.1	H114 D165 V196 V197 V198	H114-N116 PolarHBondContact CE1-OD1 3.39Å; H114-N116 PolarHBondContact ND1-N 3.29Å; H114-N116 VanDerWaalsContact ND1-N 3.12Å; H114-N116 PolarHBondContact O-N 3.18Å; H114-N116 VanDerWaalsContact O-N 3.16Å; N116-D165 WeakPolarHBondContact CB-O 3.46Å; N116-D165 VanDerWaalsContact ND2-CB 3.25Å; N116-D165 WeakPolarHBondContact ND2-CB 3.41Å; N116-D165 PolarHBondContact ND2-OD2 3.33Å; N116-V196 WeakPolarHBondContact CA-O 3.5Å; N116-V196 WeakPolarHBondContact CB-O 3.39Å; N116-V196 PolarHBondContact ND2-O 3.46Å; N116-V197 WeakPolarHBondContact O-CA 3.48Å; N116-V198 PolarHBondContact O-N 2.83Å
117	I	94.6	Very high	85.4	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-120.8	131	172.8	-68	-56.7	0	0	0	108.1	H114 T119 G169 Y172 L173 V198 F201	H114-I117 HydrophobicContact CB-CB 3.93Å; H114-I117 HydrophobicContact CB-CG1 3.75Å; H114-I117 PolarHBondContact O-N 3.26Å; H114-I117 VanDerWaalsContact O-N 3.1Å; I117-T119 PolarHBondContact O-N 3.46Å; I117-G169 WeakPolarHBondContact CD1-O 3.18Å; I117-Y172 HydrophobicContact CG1-CD1 4.02Å; I117-L173 HydrophobicContact CD1-CD1 3.83Å; I117-L173 HydrophobicContact CD1-CD2 4.16Å; I117-L173 HydrophobicContact CD1-CG 3.75Å; I117-V198 HydrophobicContact CD1-CB 3.91Å; I117-V198 HydrophobicContact CD1-CG2 4.45Å; I117-F201 HydrophobicContact CG2-CD1 4.18Å; I117-F201 HydrophobicContact CG2-CE1 3.35Å; I117-F201 HydrophobicContact CG2-CE2 3.9Å; I117-F201 HydrophobicContact CG2-CZ 3.18Å
118	L	93.1	Very high	85.9	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.026	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.1	124.8	-179.4	-175.2	70.3	0	0	0	109.9	I120 T134 E135 I137 L189 V197 V198 F201	L118-I120 PolarHBondContact O-N 3.17Å; L118-T134 HydrophobicContact CD2-CG2 3.95Å; L118-T134 HydrophobicContact CG-CG2 4.46Å; L118-E135 HydrophobicContact CD1-CG 3.47Å; L118-E135 VanDerWaalsContact CD1-CG 3.47Å; L118-E135 HydrophobicContact CG-CG 4.39Å; L118-I137 HydrophobicContact CD1-CD1 3.93Å; L118-I137 HydrophobicContact CD1-CG1 3.59Å; L118-L189 HydrophobicContact CD1-CD1 4.22Å; L118-L189 HydrophobicContact CD2-CD1 4.19Å; L118-V197 HydrophobicContact CB-CG2 4.27Å; L118-V197 HydrophobicContact CD1-CG2 3.91Å; L118-V198 WeakPolarHBondContact CB-O 3.36Å; L118-V198 PolarHBondContact N-O 2.8Å; L118-F201 HydrophobicContact CB-CE1 4.32Å
119	T	90.1	Very high	86.2	Confident	22 Å²	22	47.4 Å²	47.4	14%	0.135	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-72.3	119.6	179.8	-53.4	0	0	0	0	110.4	R46 I117 V121 T134 E135	R46-T119 VanDerWaalsContact CZ-OG1 3.27Å; R46-T119 PolarHBondContact NE-OG1 3.03Å; R46-T119 PolarHBondContact NH2-OG1 3.43Å; I117-T119 PolarHBondContact O-N 3.46Å; T119-V121 HydrophobicContact CG2-CG2 4.47Å; T119-T134 VanDerWaalsContact O-CA 3.29Å; T119-T134 WeakPolarHBondContact O-CA 3.37Å; T119-T134 WeakPolarHBondContact O-CB 3.36Å; T119-E135 WeakPolarHBondContact CB-OE1 3.48Å; T119-E135 PolarHBondContact N-OE1 3.21Å; T119-E135 PolarHBondContact O-N 3.35Å; T119-E135 PolarHBondContact OG1-OE1 2.8Å
120	I	87.3	Confident	86.4	Confident	19 Å²	19	47.4 Å²	47.4	10%	0.097	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	119	162.7	-68	158.6	0	0	0	107.5	V106 L109 Q110 L118 T134 F201	V106-I120 HydrophobicContact CG1-CG2 4.22Å; L109-I120 HydrophobicContact CB-CD1 3.5Å; L109-I120 HydrophobicContact CD1-CD1 3.87Å; L109-I120 HydrophobicContact CG-CD1 4.22Å; Q110-I120 HydrophobicContact CG-CB 4.47Å; Q110-I120 HydrophobicContact CG-CG2 3.94Å; L118-I120 PolarHBondContact O-N 3.17Å; I120-T134 HydrophobicContact CG1-CG2 4.17Å; I120-F201 HydrophobicContact CD1-CZ 4.42Å
121	V	87.9	Confident	86.7	Confident	18 Å²	18	45.9 Å²	45.9	11%	0.109	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-40.1	-178	175.1	0	0	0	0	110.1	F51 I55 L86 Q110 T119 I133	F51-V121 HydrophobicContact CB-CG1 3.56Å; F51-V121 HydrophobicContact CD1-CG1 4.32Å; F51-V121 HydrophobicContact CD2-CG1 3.26Å; F51-V121 HydrophobicContact CE2-CG1 3.96Å; F51-V121 HydrophobicContact CG-CG1 3.46Å; F51-V121 VanDerWaalsContact CG-CG1 3.46Å; I55-V121 HydrophobicContact CD1-CG1 3.95Å; L86-V121 HydrophobicContact CD2-CG2 3.98Å; Q110-V121 PolarHBondContact NE2-O 2.8Å; T119-V121 HydrophobicContact CG2-CG2 4.47Å; V121-I133 HydrophobicContact CB-CB 4.44Å; V121-I133 HydrophobicContact CB-CG2 4.02Å; V121-I133 HydrophobicContact CG1-CG2 4.26Å; V121-I133 PolarHBondContact N-O 3.35Å
122	G	85.1	Confident	87	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-160	178.7	0	0	0	0	0	112.3	P53 I133	P53-G122 CarbonylContact O-C 3.51Å; P53-G122 VanDerWaalsContact O-CA 3.28Å; P53-G122 WeakPolarHBondContact O-CA 3.33Å; G122-I133 PolarHBondContact N-O 3.37Å; G122-I133 PolarHBondContact O-N 3.44Å
123	V	85.4	Confident	87.4	Confident	4 Å²	4	40 Å²	40	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.3	171.9	-80.4	0	0	0	0	110.4	P53 N54 I55 V106 C131 L132	P53-V123 VanDerWaalsContact O-CG2 3.29Å; P53-V123 WeakPolarHBondContact O-CG2 3.43Å; P53-V123 PolarHBondContact O-N 2.99Å; N54-V123 WeakPolarHBondContact CA-O 3.44Å; N54-V123 VanDerWaalsContact OD1-CG2 3.29Å; N54-V123 WeakPolarHBondContact OD1-CG2 3.48Å; I55-V123 PolarHBondContact N-O 3.17Å; V106-V123 HydrophobicContact CB-CG1 4.22Å; V106-V123 HydrophobicContact CG1-CG1 3.79Å; V106-V123 HydrophobicContact CG2-CG1 3.77Å; V123-C131 CarbonylContact C-O 3.4Å; V123-C131 VanDerWaalsContact CA-O 3.27Å; V123-C131 WeakPolarHBondContact CA-O 3.17Å; V123-L132 HydrophobicContact CG1-CD2 3.79Å
124	V	88.1	Confident	87.6	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.1	167.4	63.5	0	0	0	0	108.4	I55 E57 L60 L88 C131 I133	I55-V124 WeakPolarHBondContact O-CG2 3.46Å; E57-V124 HydrophobicContact CB-CG2 3.82Å; L60-V124 HydrophobicContact CD1-CB 4.26Å; L60-V124 HydrophobicContact CD1-CG1 4.22Å; L60-V124 HydrophobicContact CD1-CG2 4.16Å; L88-V124 HydrophobicContact CD1-CG1 3.62Å; L88-V124 HydrophobicContact CG-CG1 4.01Å; V124-C131 HydrophobicContact CG1-CB 3.69Å; V124-C131 PolarHBondContact N-O 2.76Å; V124-C131 PolarHBondContact O-N 3.03Å; V124-I133 HydrophobicContact CB-CD1 4.26Å; V124-I133 HydrophobicContact CB-CG1 4.22Å; V124-I133 HydrophobicContact CG1-CD1 3.51Å; V124-I133 HydrophobicContact CG1-CG1 3.94Å
125	I	85.3	Confident	87.5	Confident	85 Å²	85	33.8 Å²	33.8	44%	0.436	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	117.2	169.7	-60	174.4	0	0	0	107.3	Q129 F130	I125-Q129 WeakPolarHBondContact CA-O 3.42Å; I125-F130 HydrophobicContact CD1-CE1 3.66Å; I125-F130 HydrophobicContact CD1-CZ 3.83Å; I125-F130 HydrophobicContact CG1-CD1 3.89Å; I125-F130 HydrophobicContact CG1-CE1 3.52Å; I125-F130 HydrophobicContact CG1-CZ 4.04Å
126	R	84.4	Confident	87.5	Confident	33 Å²	33	32.6 Å²	32.6	13%	0.125	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.6	178.4	173.4	161.7	177.9	-103.9	-1.9	109.2	E57 E90 R128 Q129	E57-R126 WeakPolarHBondContact OE1-CD 3.44Å; E57-R126 WeakPolarHBondContact OE1-CG 3.49Å; E57-R126 IonicContact OE1-NE 2.83Å; E57-R126 PolarHBondContact OE1-NE 2.87Å; E57-R126 WeakPolarHBondContact OE2-CA 3.39Å; E90-R126 IonicContact OE1-CZ 3.33Å; E90-R126 IonicContact OE1-NH1 3.17Å; E90-R126 PolarHBondContact OE1-NH1 3.21Å; R126-R128 PolarHBondContact O-N 3.06Å; R126-R128 VanDerWaalsContact O-N 3.16Å; R126-Q129 PolarHBondContact N-O 3.18Å; R126-Q129 WeakPolarHBondContact O-CB 3.26Å; R126-Q129 PolarHBondContact O-N 3.22Å
127	N	84.5	Confident	87.4	Confident	112 Å²	112	32.4 Å²	32.4	60%	0.599	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	38.1	-176.8	-60.5	-38.8	0	0	0	113.9	Q129	N127-Q129 PolarHBondContact O-N 3.02Å
128	R	78.6	Confident	87.3	Confident	222 Å²	222	36.8 Å²	36.8	84%	0.838	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	20.4	-175.5	-50.2	176.5	176.8	171.5	-0.1	114.4	R126	R126-R128 PolarHBondContact O-N 3.06Å; R126-R128 VanDerWaalsContact O-N 3.16Å
129	Q	77.5	Confident	87.4	Confident	47 Å²	47	38.7 Å²	38.7	22%	0.22	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.4	175.9	-63	-178.4	-4.8	0	0	110.2	I125 R126 N127	I125-Q129 WeakPolarHBondContact CA-O 3.42Å; R126-Q129 PolarHBondContact N-O 3.18Å; R126-Q129 WeakPolarHBondContact O-CB 3.26Å; R126-Q129 PolarHBondContact O-N 3.22Å; N127-Q129 PolarHBondContact O-N 3.02Å
130	F	78.3	Confident	87.6	Confident	20 Å²	20	39 Å²	39	9%	0.088	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.1	171.2	-73	-80.5	0	0	0	109.6	V91 E99 I102 V103 I125	V91-F130 WeakPolarHBondContact CB-O 3.26Å; V91-F130 PolarHBondContact N-O 2.97Å; E99-F130 HydrophobicContact CB-CE2 3.77Å; E99-F130 HydrophobicContact CB-CZ 3.72Å; E99-F130 VanDerWaalsContact CD-CZ 3.47Å; E99-F130 HydrophobicContact CG-CE1 4.18Å; E99-F130 HydrophobicContact CG-CE2 3.94Å; E99-F130 HydrophobicContact CG-CZ 3.33Å; I102-F130 HydrophobicContact CD1-CD2 4.11Å; I102-F130 HydrophobicContact CG2-CB 4.39Å; I102-F130 HydrophobicContact CG2-CG 4.3Å; V103-F130 HydrophobicContact CG2-CE1 4.38Å; I125-F130 HydrophobicContact CD1-CE1 3.66Å; I125-F130 HydrophobicContact CD1-CZ 3.83Å; I125-F130 HydrophobicContact CG1-CD1 3.89Å; I125-F130 HydrophobicContact CG1-CE1 3.52Å; I125-F130 HydrophobicContact CG1-CZ 4.04Å
131	C	84.8	Confident	88	Confident	1 Å²	1	39 Å²	39	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.5	173.6	-56.1	0	0	0	0	108.9	L88 K89 V123 V124	L88-C131 HydrophobicContact CD1-CB 4.36Å; L88-C131 HydrophobicContact CD2-CB 3.56Å; L88-C131 HydrophobicContact CG-CB 3.72Å; K89-C131 CarbonylContact O-C 3.59Å; K89-C131 WeakPolarHBondContact O-CA 3.2Å; K89-C131 WeakPolarHBondContact O-CB 3.25Å; V123-C131 CarbonylContact C-O 3.4Å; V123-C131 VanDerWaalsContact CA-O 3.27Å; V123-C131 WeakPolarHBondContact CA-O 3.17Å; V124-C131 HydrophobicContact CG1-CB 3.69Å; V124-C131 PolarHBondContact N-O 2.76Å; V124-C131 PolarHBondContact O-N 3.03Å
132	L	86.3	Confident	88.5	Confident	8 Å²	8	38.2 Å²	38.2	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	134.4	176.1	-68.3	168.2	0	0	0	109.5	L88 K89 V91 V106 V123 L203	L88-L132 CarbonylContact C-O 3.57Å; L88-L132 WeakPolarHBondContact CA-O 3.47Å; K89-L132 HydrophobicContact CB-CB 4.5Å; K89-L132 PolarHBondContact N-O 3.38Å; K89-L132 PolarHBondContact O-N 3.19Å; V91-L132 HydrophobicContact CG2-CD1 3.76Å; V91-L132 HydrophobicContact CG2-CG 3.78Å; V106-L132 HydrophobicContact CG1-CD2 4.41Å; V106-L132 HydrophobicContact CG2-CD2 3.5Å; V106-L132 VanDerWaalsContact CG2-CD2 3.5Å; V123-L132 HydrophobicContact CG1-CD2 3.79Å; L132-L203 HydrophobicContact CD1-CD2 3.39Å
133	I	90.2	Very high	89	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.6	172.2	-56.1	-55.1	0	0	0	108.8	I55 L60 L86 V87 L88 V121 G122 V124	I55-I133 HydrophobicContact CD1-CB 4.24Å; I55-I133 HydrophobicContact CD1-CG1 4.24Å; I55-I133 HydrophobicContact CD1-CG2 4.05Å; L60-I133 HydrophobicContact CD1-CD1 3.94Å; L86-I133 HydrophobicContact CB-CG2 3.92Å; L86-I133 HydrophobicContact CD1-CG2 3.74Å; L86-I133 HydrophobicContact CD2-CG2 4.45Å; L86-I133 HydrophobicContact CG-CG2 4.25Å; V87-I133 CarbonylContact O-C 3.55Å; V87-I133 VanDerWaalsContact O-CA 3.3Å; V87-I133 WeakPolarHBondContact O-CA 3.46Å; L88-I133 HydrophobicContact CB-CD1 3.64Å; L88-I133 HydrophobicContact CD1-CD1 4.11Å; L88-I133 HydrophobicContact CG-CD1 3.76Å; V121-I133 HydrophobicContact CB-CB 4.44Å; V121-I133 HydrophobicContact CB-CG2 4.02Å; V121-I133 HydrophobicContact CG1-CG2 4.26Å; V121-I133 PolarHBondContact N-O 3.35Å; G122-I133 PolarHBondContact N-O 3.37Å; G122-I133 PolarHBondContact O-N 3.44Å; V124-I133 HydrophobicContact CB-CD1 4.26Å; V124-I133 HydrophobicContact CB-CG1 4.22Å; V124-I133 HydrophobicContact CG1-CD1 3.51Å; V124-I133 HydrophobicContact CG1-CG1 3.94Å
134	T	91.7	Very high	89.5	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.043	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	167.6	174.7	71	0	0	0	0	111.1	L86 V87 L118 T119 I120	L86-T134 CarbonylContact C-O 3.5Å; L86-T134 WeakPolarHBondContact CA-O 3.4Å; L86-T134 WeakPolarHBondContact CB-O 3.3Å; V87-T134 PolarHBondContact N-O 2.8Å; V87-T134 PolarHBondContact O-N 2.76Å; L118-T134 HydrophobicContact CD2-CG2 3.95Å; L118-T134 HydrophobicContact CG-CG2 4.46Å; T119-T134 VanDerWaalsContact O-CA 3.29Å; T119-T134 WeakPolarHBondContact O-CA 3.37Å; T119-T134 WeakPolarHBondContact O-CB 3.36Å; I120-T134 HydrophobicContact CG1-CG2 4.17Å
135	E	92.3	Very high	89.9	Confident	18 Å²	18	42.8 Å²	42.8	8%	0.084	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	148.7	164.8	65.1	-175.8	117.7	0	0	110.9	L118 T119 I137 R191	L118-E135 HydrophobicContact CD1-CG 3.47Å; L118-E135 VanDerWaalsContact CD1-CG 3.47Å; L118-E135 HydrophobicContact CG-CG 4.39Å; T119-E135 WeakPolarHBondContact CB-OE1 3.48Å; T119-E135 PolarHBondContact N-OE1 3.21Å; T119-E135 PolarHBondContact O-N 3.35Å; T119-E135 PolarHBondContact OG1-OE1 2.8Å; E135-I137 HydrophobicContact CG-CD1 3.85Å; E135-I137 HydrophobicContact CG-CG1 4.44Å; E135-R191 IonicContact OE1-NH2 3.54Å; E135-R191 PolarHBondContact OE1-NH2 3.17Å; E135-R191 VanDerWaalsContact OE1-NH2 3.17Å; E135-R191 IonicContact OE2-CZ 3.68Å; E135-R191 IonicContact OE2-NE 2.8Å; E135-R191 PolarHBondContact OE2-NE 2.9Å; E135-R191 IonicContact OE2-NH2 3.82Å; E135-R191 PolarHBondContact OE2-NH2 3.2Å
136	Y	95.1	Very high	90.5	Very high	48 Å²	48	38.7 Å²	38.7	19%	0.188	19%	0.189	C	C	.	.			trans	-86	134.3	170.5	175.3	-108.4	0	0	0	110.2	I66 K76 L85 V87 E138	I66-Y136 HydrophobicContact CD1-CD2 4.38Å; I66-Y136 HydrophobicContact CD1-CE2 4.26Å; K76-Y136 HydrophobicContact CD-CD2 4.29Å; K76-Y136 HydrophobicContact CD-CE1 4.48Å; K76-Y136 HydrophobicContact CD-CE2 3.87Å; K76-Y136 HydrophobicContact CG-CD2 4.23Å; K76-Y136 HydrophobicContact CG-CE2 4.27Å; K76-Y136 VanDerWaalsContact NZ-CZ 3.34Å; K76-Y136 PolarHBondContact NZ-OH 3.43Å; L85-Y136 HydrophobicContact CB-CD1 4.03Å; L85-Y136 HydrophobicContact CB-CG 4.23Å; L85-Y136 HydrophobicContact CD1-CD1 4.08Å; L85-Y136 HydrophobicContact CD1-CE1 4.34Å; L85-Y136 WeakPolarHBondContact O-CB 2.86Å; V87-Y136 HydrophobicContact CG2-CD2 3.71Å; V87-Y136 HydrophobicContact CG2-CG 4.42Å; Y136-E138 HydrophobicContact CD1-CG 4.43Å; Y136-E138 HydrophobicContact CE1-CB 4.46Å; Y136-E138 HydrophobicContact CE1-CG 4.14Å
137	I	95.2	Very high	91	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.046	20%	0.201	C	C	.	.			trans	-114.8	118.4	-179	-56.6	-64	0	0	0	108.7	L118 E135 G140 L189 V190 R191 V197	L118-I137 HydrophobicContact CD1-CD1 3.93Å; L118-I137 HydrophobicContact CD1-CG1 3.59Å; E135-I137 HydrophobicContact CG-CD1 3.85Å; E135-I137 HydrophobicContact CG-CG1 4.44Å; I137-G140 PolarHBondContact O-N 2.54Å; I137-L189 HydrophobicContact CB-CB 3.89Å; I137-L189 HydrophobicContact CB-CD1 4.17Å; I137-L189 HydrophobicContact CG1-CB 4.02Å; I137-L189 HydrophobicContact CG1-CD1 3.94Å; I137-L189 HydrophobicContact CG2-CB 3.59Å; I137-V190 WeakPolarHBondContact CG2-O 3.29Å; I137-R191 HydrophobicContact CD1-CG 3.76Å; I137-R191 HydrophobicContact CG2-CG 4.15Å; I137-V197 HydrophobicContact CD1-CG2 3.82Å; I137-V197 HydrophobicContact CG1-CG2 3.92Å
138	E	93.1	Very high	91.5	Very high	93 Å²	93	37.4 Å²	37.4	44%	0.435	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-41.7	-159.1	-63.2	81.6	-178.3	0	0	114.6	Y136 G140 Q192	Y136-E138 HydrophobicContact CD1-CG 4.43Å; Y136-E138 HydrophobicContact CE1-CB 4.46Å; Y136-E138 HydrophobicContact CE1-CG 4.14Å; E138-G140 PolarHBondContact O-N 2.97Å; E138-Q192 HydrophobicContact CB-CB 4.44Å; E138-Q192 HydrophobicContact CG-CB 4.42Å; E138-Q192 PolarHBondContact OE2-N 3.38Å
139	K	95.1	Very high	92.2	Very high	45 Å²	45	32.6 Å²	32.6	20%	0.196	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.6	-175.8	-57.9	-179.5	166.6	158.9	0	112.8	L145 V190 R191 Q192 D194	K139-L145 HydrophobicContact CB-CD1 4.19Å; K139-L145 HydrophobicContact CB-CD2 4.15Å; K139-L145 HydrophobicContact CD-CD2 4.33Å; K139-L145 WeakPolarHBondContact O-CD1 3.47Å; K139-V190 HydrophobicContact CB-CB 4.19Å; K139-V190 WeakPolarHBondContact CB-O 3.45Å; K139-V190 HydrophobicContact CD-CG1 4.06Å; K139-V190 PolarHBondContact N-O 3.38Å; K139-V190 VanDerWaalsContact N-O 3.13Å; K139-R191 WeakPolarHBondContact CD-O 3.42Å; K139-Q192 VanDerWaalsContact CE-O 3.31Å; K139-Q192 WeakPolarHBondContact CE-O 3.39Å; K139-Q192 PolarHBondContact NZ-O 3.32Å; K139-D194 IonicContact NZ-OD1 3.81Å; K139-D194 PolarHBondContact NZ-OD1 3.35Å; K139-D194 IonicContact NZ-OD2 2.8Å
140	G	94.1	Very high	93	Very high	29 Å²	29	38.5 Å²	38.5	30%	0.299	20%	0.201	S	C	.	.			trans	74.2	-149.3	-178.8	0	0	0	0	0	112.6	I137 E138 L189 V190	I137-G140 PolarHBondContact O-N 2.54Å; E138-G140 PolarHBondContact O-N 2.97Å; G140-L189 CarbonylContact O-C 3.44Å; G140-L189 WeakPolarHBondContact O-CA 3.4Å; G140-V190 PolarHBondContact O-N 2.84Å
141	S	95.6	Very high	93.7	Very high	19 Å²	19	46 Å²	46	13%	0.133	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-78.4	145.8	-174.3	70.9	0	0	0	0	112.8	H143 S144 L145 C188	S141-H143 PolarHBondContact O-N 2.6Å; S141-S144 PolarHBondContact O-N 2.83Å; S141-S144 PolarHBondContact OG-N 3.4Å; S141-S144 PolarHBondContact OG-OG 2.8Å; S141-L145 WeakPolarHBondContact O-CD1 3.33Å; S141-L145 PolarHBondContact O-N 2.81Å; S141-C188 CarbonylContact C-O 3.58Å; S141-C188 WeakPolarHBondContact CA-O 3.34Å
142	L	97.8	Very high	94.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-27	172.5	-176.8	59	0	0	0	110.9	L145 C146 F154 F162 I166 T185 C188 V190 L295	L142-L145 CarbonylContact O-C 3.44Å; L142-L145 PolarHBondContact O-N 3.37Å; L142-C146 WeakPolarHBondContact O-CA 3.41Å; L142-C146 WeakPolarHBondContact O-CB 3.31Å; L142-C146 PolarHBondContact O-N 2.87Å; L142-F154 HydrophobicContact CD1-CE2 4.41Å; L142-F154 HydrophobicContact CD1-CZ 4.27Å; L142-F162 HydrophobicContact CD1-CD2 3.91Å; L142-F162 HydrophobicContact CD1-CE2 4.02Å; L142-F162 HydrophobicContact CD1-CG 4.25Å; L142-F162 HydrophobicContact CD1-CZ 4.39Å; L142-I166 HydrophobicContact CD2-CD1 3.71Å; L142-T185 PolarHBondContact N-O 3.15Å; L142-C188 HydrophobicContact CB-CB 3.95Å; L142-C188 WeakPolarHBondContact CB-O 3.42Å; L142-C188 HydrophobicContact CD2-CB 4.1Å; L142-C188 PolarHBondContact N-O 3.48Å; L142-V190 HydrophobicContact CB-CG2 3.97Å; L142-V190 HydrophobicContact CD1-CG2 3.89Å; L142-L295 HydrophobicContact CD1-CD2 4.05Å; L142-L295 HydrophobicContact CD2-CD1 4.45Å; L142-L295 HydrophobicContact CD2-CD2 4.07Å; L142-L295 HydrophobicContact CG-CD2 4.12Å
143	H	96.2	Very high	94.6	Very high	31 Å²	31	53.1 Å²	53.1	14%	0.144	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-51.5	174.4	-171.1	72.6	0	0	0	112.3	S141 L145 C146 L147 T185 N186 N300	S141-H143 PolarHBondContact O-N 2.6Å; H143-L145 VanDerWaalsContact C-N 3.31Å; H143-L145 PolarHBondContact O-N 2.86Å; H143-C146 WeakPolarHBondContact O-CA 3.22Å; H143-C146 VanDerWaalsContact O-CB 3.27Å; H143-C146 WeakPolarHBondContact O-CB 3.09Å; H143-C146 PolarHBondContact O-N 3.01Å; H143-L147 WeakPolarHBondContact NE2-CD1 3.22Å; H143-L147 PolarHBondContact O-N 3.04Å; H143-L147 VanDerWaalsContact O-N 3.14Å; H143-T185 WeakPolarHBondContact CB-OG1 3.29Å; H143-T185 PolarHBondContact N-O 3.22Å; H143-T185 PolarHBondContact ND1-OG1 2.86Å; H143-N186 WeakPolarHBondContact CB-OD1 3.4Å; H143-N186 PolarHBondContact CD2-OD1 3.25Å; H143-N300 PolarHBondContact CE1-OD1 3.13Å
144	S	95.3	Very high	94.8	Very high	70 Å²	70	54.7 Å²	54.7	49%	0.49	28%	0.278	S	S	.	.	H	α-helix	trans	-62.6	-40.5	178.3	-60.6	0	0	0	0	111.6	S141 C146 L147 D148	S141-S144 PolarHBondContact O-N 2.83Å; S141-S144 PolarHBondContact OG-N 3.4Å; S141-S144 PolarHBondContact OG-OG 2.8Å; S144-C146 VanDerWaalsContact C-N 3.29Å; S144-C146 PolarHBondContact O-N 3.38Å; S144-L147 PolarHBondContact O-N 2.8Å; S144-D148 WeakPolarHBondContact O-CB 3.4Å; S144-D148 PolarHBondContact O-N 2.83Å; S144-D148 VanDerWaalsContact O-N 3.07Å
145	L	97.1	Very high	94.9	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-66.7	-31.7	174.4	-85.8	61.5	0	0	0	112.3	K139 S141 L142 H143 Y152 F154 V190 R298	K139-L145 HydrophobicContact CB-CD1 4.19Å; K139-L145 HydrophobicContact CB-CD2 4.15Å; K139-L145 HydrophobicContact CD-CD2 4.33Å; K139-L145 WeakPolarHBondContact O-CD1 3.47Å; S141-L145 WeakPolarHBondContact O-CD1 3.33Å; S141-L145 PolarHBondContact O-N 2.81Å; L142-L145 CarbonylContact O-C 3.44Å; L142-L145 PolarHBondContact O-N 3.37Å; H143-L145 VanDerWaalsContact C-N 3.31Å; H143-L145 PolarHBondContact O-N 2.86Å; L145-Y152 HydrophobicContact CB-CD2 4.16Å; L145-Y152 HydrophobicContact CB-CE2 4.48Å; L145-Y152 HydrophobicContact CB-CG 4.43Å; L145-Y152 HydrophobicContact CD1-CD2 4.28Å; L145-Y152 HydrophobicContact CD1-CE2 3.75Å; L145-Y152 HydrophobicContact CG-CD1 4.18Å; L145-Y152 HydrophobicContact CG-CD2 3.77Å; L145-Y152 HydrophobicContact CG-CE1 4.16Å; L145-Y152 HydrophobicContact CG-CE2 3.72Å; L145-Y152 HydrophobicContact CG-CG 3.98Å; L145-F154 HydrophobicContact CB-CE1 4.5Å; L145-F154 HydrophobicContact CB-CZ 4.08Å; L145-V190 HydrophobicContact CD2-CB 3.76Å; L145-V190 HydrophobicContact CD2-CG1 3.86Å; L145-V190 HydrophobicContact CD2-CG2 3.78Å; L145-R298 PolarHBondContact O-NH1 2.95Å; L145-R298 PolarHBondContact O-NH2 3.44Å
146	C	96.8	Very high	95.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-44.1	178.3	-165.4	0	0	0	0	111.5	L142 H143 S144 Q294 R298	L142-C146 WeakPolarHBondContact O-CA 3.41Å; L142-C146 WeakPolarHBondContact O-CB 3.31Å; L142-C146 PolarHBondContact O-N 2.87Å; H143-C146 WeakPolarHBondContact O-CA 3.22Å; H143-C146 VanDerWaalsContact O-CB 3.27Å; H143-C146 WeakPolarHBondContact O-CB 3.09Å; H143-C146 PolarHBondContact O-N 3.01Å; S144-C146 VanDerWaalsContact C-N 3.29Å; S144-C146 PolarHBondContact O-N 3.38Å; C146-Q294 PolarHBondContact SG-O 2.81Å; C146-R298 PolarHBondContact O-NH1 3.05Å; C146-R298 VanDerWaalsContact O-NH1 3.08Å; C146-R298 PolarHBondContact O-NH2 3.01Å
147	L	95.7	Very high	95.2	Very high	72 Å²	72	60.6 Å²	60.6	38%	0.377	31%	0.31	S	S	.	.	H	α-helix	trans	-90.1	-28.9	-171.8	-59.5	-176.6	0	0	0	113.6	H143 S144 K149 N300	H143-L147 WeakPolarHBondContact NE2-CD1 3.22Å; H143-L147 PolarHBondContact O-N 3.04Å; H143-L147 VanDerWaalsContact O-N 3.14Å; S144-L147 PolarHBondContact O-N 2.8Å; L147-K149 VanDerWaalsContact C-N 3.33Å; L147-K149 PolarHBondContact O-N 2.87Å; L147-N300 HydrophobicContact CD2-CB 4.45Å
148	D	95.1	Very high	95.3	Very high	46 Å²	46	62 Å²	62	25%	0.246	32%	0.315	C	S	.	.			trans	-81.6	78.4	176.3	-171.5	-9.6	0	0	0	111.1	S144 I150 R151 Y152	S144-D148 WeakPolarHBondContact O-CB 3.4Å; S144-D148 PolarHBondContact O-N 2.83Å; S144-D148 VanDerWaalsContact O-N 3.07Å; D148-I150 PolarHBondContact O-N 3.03Å; D148-I150 PolarHBondContact OD1-N 3.34Å; D148-R151 HydrophobicContact CB-CB 4.49Å; D148-R151 VanDerWaalsContact CG-CB 3.4Å; D148-R151 WeakPolarHBondContact OD1-CB 3.4Å; D148-R151 PolarHBondContact OD1-N 3.43Å; D148-R151 WeakPolarHBondContact OD2-CB 3.49Å; D148-R151 IonicContact OD2-CZ 2.83Å; D148-R151 IonicContact OD2-NE 3.24Å; D148-R151 PolarHBondContact OD2-NE 2.87Å; D148-R151 IonicContact OD2-NH2 3.83Å; D148-Y152 HydrophobicContact CB-CD2 4.08Å; D148-Y152 HydrophobicContact CB-CE2 4.49Å; D148-Y152 PolarHBondContact O-N 2.88Å
149	K	93.2	Very high	95.5	Very high	120 Å²	120	57.9 Å²	57.9	52%	0.522	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.6	178.5	-56.6	-173.7	-169.9	-164.6	0	113.4	L147 R298	L147-K149 VanDerWaalsContact C-N 3.33Å; L147-K149 PolarHBondContact O-N 2.87Å; K149-R298 HydrophobicContact CD-CB 4.22Å; K149-R298 WeakPolarHBondContact CE-O 3.28Å; K149-R298 HydrophobicContact CG-CB 4.4Å; K149-R298 PolarHBondContact NZ-O 2.84Å; K149-R298 VanDerWaalsContact NZ-O 3.09Å
150	I	93.7	Very high	95.6	Very high	172 Å²	172	55.8 Å²	55.8	88%	0.882	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-47.4	-177.5	-61	174	0	0	0	109.6	D148	D148-I150 PolarHBondContact O-N 3.03Å; D148-I150 PolarHBondContact OD1-N 3.34Å
151	R	94.2	Very high	95.8	Very high	178 Å²	178	55.8 Å²	55.8	67%	0.672	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-31.6	-178.6	-165.9	-178.3	-51.9	-160.3	-4.3	112.8	D148	D148-R151 HydrophobicContact CB-CB 4.49Å; D148-R151 VanDerWaalsContact CG-CB 3.4Å; D148-R151 WeakPolarHBondContact OD1-CB 3.4Å; D148-R151 PolarHBondContact OD1-N 3.43Å; D148-R151 WeakPolarHBondContact OD2-CB 3.49Å; D148-R151 IonicContact OD2-CZ 2.83Å; D148-R151 IonicContact OD2-NE 3.24Å; D148-R151 PolarHBondContact OD2-NE 2.87Å; D148-R151 IonicContact OD2-NH2 3.83Å
152	Y	94.4	Very high	95.9	Very high	55 Å²	55	54.9 Å²	54.9	22%	0.216	28%	0.275	C	S	.	.			trans	-125.9	104.8	-174.6	-54.5	-71.4	0	0	0	111.5	L145 D148 R298	L145-Y152 HydrophobicContact CB-CD2 4.16Å; L145-Y152 HydrophobicContact CB-CE2 4.48Å; L145-Y152 HydrophobicContact CB-CG 4.43Å; L145-Y152 HydrophobicContact CD1-CD2 4.28Å; L145-Y152 HydrophobicContact CD1-CE2 3.75Å; L145-Y152 HydrophobicContact CG-CD1 4.18Å; L145-Y152 HydrophobicContact CG-CD2 3.77Å; L145-Y152 HydrophobicContact CG-CE1 4.16Å; L145-Y152 HydrophobicContact CG-CE2 3.72Å; L145-Y152 HydrophobicContact CG-CG 3.98Å; D148-Y152 HydrophobicContact CB-CD2 4.08Å; D148-Y152 HydrophobicContact CB-CE2 4.49Å; D148-Y152 PolarHBondContact O-N 2.88Å; Y152-R298 PolarHBondContact O-NH2 2.82Å
153	S	93.9	Very high	96	Very high	102 Å²	102	54.9 Å²	54.9	71%	0.713	28%	0.275	S	S	*	.			trans	-83.5	132.5	168.9	58.9	0	0	0	0	110.6
154	F	95.2	Very high	96.1	Very high	33 Å²	33	55.6 Å²	55.6	15%	0.145	28%	0.277	C	S	.	.			trans	-113.6	123.7	175.6	-72.9	13.2	0	0	0	108.8	L142 L145 K158 I159 F162 L295	L142-F154 HydrophobicContact CD1-CE2 4.41Å; L142-F154 HydrophobicContact CD1-CZ 4.27Å; L145-F154 HydrophobicContact CB-CE1 4.5Å; L145-F154 HydrophobicContact CB-CZ 4.08Å; F154-K158 HydrophobicContact CD1-CD 4.05Å; F154-K158 HydrophobicContact CD1-CG 4.36Å; F154-K158 HydrophobicContact CG-CG 4.48Å; F154-I159 HydrophobicContact CB-CD1 4.32Å; F154-I159 HydrophobicContact CB-CG1 4.02Å; F154-I159 HydrophobicContact CD2-CG1 4.02Å; F154-I159 HydrophobicContact CG-CG1 4.49Å; F154-F162 HydrophobicContact CD1-CE2 4.18Å; F154-F162 HydrophobicContact CD2-CD2 4.27Å; F154-F162 HydrophobicContact CD2-CE2 4.04Å; F154-F162 AromaticContact CE1-CE2 3.67Å; F154-F162 HydrophobicContact CE1-CE2 3.67Å; F154-F162 HydrophobicContact CE1-CZ 4.3Å; F154-F162 AromaticContact CE2-CD2 3.77Å; F154-F162 HydrophobicContact CE2-CD2 3.77Å; F154-F162 AromaticContact CE2-CE2 3.46Å; F154-F162 HydrophobicContact CE2-CE2 3.46Å; F154-F162 VanDerWaalsContact CE2-CE2 3.46Å; F154-F162 HydrophobicContact CG-CE2 4.38Å; F154-F162 HydrophobicContact CZ-CD2 4.06Å; F154-F162 AromaticContact CZ-CE2 3.3Å; F154-F162 HydrophobicContact CZ-CE2 3.3Å; F154-F162 HydrophobicContact CZ-CZ 4.14Å; F154-L295 HydrophobicContact CD2-CD2 4.41Å; F154-L295 HydrophobicContact CE2-CD2 3.78Å
155	D	95	Very high	96.2	Very high	94 Å²	94	52.6 Å²	52.6	50%	0.503	26%	0.255	S	S	.	.			trans	-92	175.1	161.5	65.6	10.7	0	0	0	110.1	I157 K158 I159	D155-I157 VanDerWaalsContact C-N 3.29Å; D155-I157 PolarHBondContact O-N 3.2Å; D155-I157 PolarHBondContact OD1-N 2.64Å; D155-K158 PolarHBondContact O-N 3.22Å; D155-K158 WeakPolarHBondContact OD1-CB 3.37Å; D155-K158 PolarHBondContact OD1-N 2.89Å; D155-I159 WeakPolarHBondContact O-CG1 3.33Å; D155-I159 PolarHBondContact O-N 3.36Å
156	W	96.4	Very high	96.3	Very high	36 Å²	36	52.6 Å²	52.6	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-36.8	-179.5	-69.2	120.6	0	0	0	113	K158 I159 I160 I296 P327 N329 T330 P331 L334 L366	W156-K158 VanDerWaalsContact C-N 3.31Å; W156-K158 PolarHBondContact O-N 3.17Å; W156-I159 HydrophobicContact CE3-CD1 3.82Å; W156-I159 HydrophobicContact CZ3-CD1 3.8Å; W156-I159 PolarHBondContact O-N 3.34Å; W156-I160 WeakPolarHBondContact O-CB 3.09Å; W156-I160 VanDerWaalsContact O-CD1 3.31Å; W156-I160 WeakPolarHBondContact O-CD1 3.37Å; W156-I160 WeakPolarHBondContact O-CG1 3.25Å; W156-I160 PolarHBondContact O-N 2.91Å; W156-I296 HydrophobicContact CH2-CG2 4.24Å; W156-I296 HydrophobicContact CZ3-CG1 4.21Å; W156-I296 HydrophobicContact CZ3-CG2 4.48Å; W156-P327 HydrophobicContact CH2-CB 3.86Å; W156-P327 HydrophobicContact CH2-CG 4.16Å; W156-P327 HydrophobicContact CZ2-CB 3.63Å; W156-P327 HydrophobicContact CZ2-CG 4.35Å; W156-N329 WeakPolarHBondContact CZ2-OD1 3.47Å; W156-N329 PolarHBondContact NE1-ND2 3.22Å; W156-N329 PolarHBondContact NE1-O 3.35Å; W156-N329 PolarHBondContact NE1-OD1 2.92Å; W156-T330 HydrophobicContact CH2-CG2 3.88Å; W156-T330 WeakPolarHBondContact CH2-OG1 3.47Å; W156-T330 VanDerWaalsContact CZ2-CA 3.41Å; W156-T330 HydrophobicContact CZ3-CG2 4.15Å; W156-P331 HydrophobicContact CB-CG 4.42Å; W156-P331 HydrophobicContact CD2-CG 4.14Å; W156-P331 HydrophobicContact CE3-CG 4.42Å; W156-P331 HydrophobicContact CG-CG 4.12Å; W156-L334 HydrophobicContact CE3-CD2 3.8Å; W156-L334 HydrophobicContact CZ3-CD2 3.8Å; W156-L366 HydrophobicContact CB-CD1 3.56Å
157	I	96	Very high	96.4	Very high	67 Å²	67	52.6 Å²	52.6	34%	0.344	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-46.9	177.4	-65.1	175.9	0	0	0	109.1	D155 I160 T161 L363 L366 L367	D155-I157 VanDerWaalsContact C-N 3.29Å; D155-I157 PolarHBondContact O-N 3.2Å; D155-I157 PolarHBondContact OD1-N 2.64Å; I157-I160 PolarHBondContact O-N 3.06Å; I157-T161 HydrophobicContact CG2-CG2 4.3Å; I157-T161 VanDerWaalsContact O-CG2 3.27Å; I157-T161 WeakPolarHBondContact O-CG2 3.28Å; I157-T161 PolarHBondContact O-N 3.46Å; I157-T161 PolarHBondContact O-OG1 3.39Å; I157-L363 HydrophobicContact CB-CD1 4.44Å; I157-L363 HydrophobicContact CG1-CD1 4.16Å; I157-L363 HydrophobicContact CG2-CD1 3.92Å; I157-L366 HydrophobicContact CG1-CD1 4.35Å; I157-L367 HydrophobicContact CD1-CD2 4.18Å
158	K	96.5	Very high	96.5	Very high	38 Å²	38	50.6 Å²	50.6	17%	0.165	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-47.7	178	-171.7	155.3	-174.3	155.2	0	111.9	F154 D155 W156 I160 T161 F162 D194	F154-K158 HydrophobicContact CD1-CD 4.05Å; F154-K158 HydrophobicContact CD1-CG 4.36Å; F154-K158 HydrophobicContact CG-CG 4.48Å; D155-K158 PolarHBondContact O-N 3.22Å; D155-K158 WeakPolarHBondContact OD1-CB 3.37Å; D155-K158 PolarHBondContact OD1-N 2.89Å; W156-K158 VanDerWaalsContact C-N 3.31Å; W156-K158 PolarHBondContact O-N 3.17Å; K158-I160 VanDerWaalsContact C-N 3.34Å; K158-I160 PolarHBondContact O-N 2.84Å; K158-T161 WeakPolarHBondContact CA-OG1 3.36Å; K158-T161 PolarHBondContact O-N 3.02Å; K158-T161 PolarHBondContact O-OG1 2.96Å; K158-F162 HydrophobicContact CD-CE2 4.16Å; K158-F162 HydrophobicContact CD-CZ 4.17Å; K158-F162 HydrophobicContact CG-CD2 4.08Å; K158-F162 HydrophobicContact CG-CE1 4.43Å; K158-F162 HydrophobicContact CG-CE2 3.5Å; K158-F162 VanDerWaalsContact CG-CE2 3.5Å; K158-F162 HydrophobicContact CG-CZ 3.77Å; K158-F162 WeakPolarHBondContact O-CD2 3.42Å; K158-F162 WeakPolarHBondContact O-CG 3.4Å; K158-F162 PolarHBondContact O-N 3.45Å; K158-D194 IonicContact NZ-OD1 3.66Å; K158-D194 PolarHBondContact NZ-OD1 3.41Å; K158-D194 IonicContact NZ-OD2 3.26Å; K158-D194 PolarHBondContact NZ-OD2 2.98Å
159	I	97.9	Very high	96.7	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.036	24%	0.236	C	C	.	.	H	α-helix	trans	-56.7	-47.6	175.5	-69.1	168.2	0	0	0	111.3	F154 D155 W156 F162 G163 M292 L295 L334	F154-I159 HydrophobicContact CB-CD1 4.32Å; F154-I159 HydrophobicContact CB-CG1 4.02Å; F154-I159 HydrophobicContact CD2-CG1 4.02Å; F154-I159 HydrophobicContact CG-CG1 4.49Å; D155-I159 WeakPolarHBondContact O-CG1 3.33Å; D155-I159 PolarHBondContact O-N 3.36Å; W156-I159 HydrophobicContact CE3-CD1 3.82Å; W156-I159 HydrophobicContact CZ3-CD1 3.8Å; W156-I159 PolarHBondContact O-N 3.34Å; I159-F162 PolarHBondContact O-N 2.9Å; I159-G163 PolarHBondContact O-N 3.19Å; I159-M292 HydrophobicContact CG2-CE 4.33Å; I159-L295 HydrophobicContact CG2-CB 3.97Å; I159-L334 HydrophobicContact CG2-CD2 4.25Å
160	I	98.1	Very high	96.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-65.2	-41.8	-179.8	-69.9	161.2	0	0	0	110.9	W156 I157 K158 G163 R164 L334 L359 C362 L363 L366	W156-I160 WeakPolarHBondContact O-CB 3.09Å; W156-I160 VanDerWaalsContact O-CD1 3.31Å; W156-I160 WeakPolarHBondContact O-CD1 3.37Å; W156-I160 WeakPolarHBondContact O-CG1 3.25Å; W156-I160 PolarHBondContact O-N 2.91Å; I157-I160 PolarHBondContact O-N 3.06Å; K158-I160 VanDerWaalsContact C-N 3.34Å; K158-I160 PolarHBondContact O-N 2.84Å; I160-G163 PolarHBondContact O-N 2.95Å; I160-R164 WeakPolarHBondContact O-CB 3.32Å; I160-R164 PolarHBondContact O-N 3.42Å; I160-L334 HydrophobicContact CG1-CD1 4.34Å; I160-L334 HydrophobicContact CG1-CD2 4.35Å; I160-L359 HydrophobicContact CB-CD2 4.42Å; I160-L359 HydrophobicContact CG1-CD2 4.44Å; I160-L359 HydrophobicContact CG2-CB 4.17Å; I160-L359 HydrophobicContact CG2-CD2 3.98Å; I160-L359 VanDerWaalsContact CG2-O 3.32Å; I160-L359 WeakPolarHBondContact CG2-O 3.36Å; I160-C362 HydrophobicContact CD1-CB 4.12Å; I160-C362 WeakPolarHBondContact CD1-SG 3.1Å; I160-L363 HydrophobicContact CG2-CB 4.17Å; I160-L366 HydrophobicContact CD1-CD1 3.35Å; I160-L366 HydrophobicContact CD1-CG 4.44Å
161	T	97.6	Very high	97.1	Very high	30 Å²	30	35 Å²	35	18%	0.184	17%	0.173	C	C	.	.	H	α-helix	trans	-65.7	-39.5	177.9	56.3	0	0	0	0	112.6	I157 K158 R164 D165	I157-T161 HydrophobicContact CG2-CG2 4.3Å; I157-T161 VanDerWaalsContact O-CG2 3.27Å; I157-T161 WeakPolarHBondContact O-CG2 3.28Å; I157-T161 PolarHBondContact O-N 3.46Å; I157-T161 PolarHBondContact O-OG1 3.39Å; K158-T161 WeakPolarHBondContact CA-OG1 3.36Å; K158-T161 PolarHBondContact O-N 3.02Å; K158-T161 PolarHBondContact O-OG1 2.96Å; T161-R164 PolarHBondContact O-N 3.25Å; T161-D165 WeakPolarHBondContact O-CB 3.39Å; T161-D165 PolarHBondContact O-N 3.39Å
162	F	98.5	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-48.1	172	-68.8	-28.5	0	0	0	111.8	L142 F154 K158 I159 R164 D165 I166 V190 D194 V196 L295	L142-F162 HydrophobicContact CD1-CD2 3.91Å; L142-F162 HydrophobicContact CD1-CE2 4.02Å; L142-F162 HydrophobicContact CD1-CG 4.25Å; L142-F162 HydrophobicContact CD1-CZ 4.39Å; F154-F162 HydrophobicContact CD1-CE2 4.18Å; F154-F162 HydrophobicContact CD2-CD2 4.27Å; F154-F162 HydrophobicContact CD2-CE2 4.04Å; F154-F162 AromaticContact CE1-CE2 3.67Å; F154-F162 HydrophobicContact CE1-CE2 3.67Å; F154-F162 HydrophobicContact CE1-CZ 4.3Å; F154-F162 AromaticContact CE2-CD2 3.77Å; F154-F162 HydrophobicContact CE2-CD2 3.77Å; F154-F162 AromaticContact CE2-CE2 3.46Å; F154-F162 HydrophobicContact CE2-CE2 3.46Å; F154-F162 VanDerWaalsContact CE2-CE2 3.46Å; F154-F162 HydrophobicContact CG-CE2 4.38Å; F154-F162 HydrophobicContact CZ-CD2 4.06Å; F154-F162 AromaticContact CZ-CE2 3.3Å; F154-F162 HydrophobicContact CZ-CE2 3.3Å; F154-F162 HydrophobicContact CZ-CZ 4.14Å; K158-F162 HydrophobicContact CD-CE2 4.16Å; K158-F162 HydrophobicContact CD-CZ 4.17Å; K158-F162 HydrophobicContact CG-CD2 4.08Å; K158-F162 HydrophobicContact CG-CE1 4.43Å; K158-F162 HydrophobicContact CG-CE2 3.5Å; K158-F162 VanDerWaalsContact CG-CE2 3.5Å; K158-F162 HydrophobicContact CG-CZ 3.77Å; K158-F162 WeakPolarHBondContact O-CD2 3.42Å; K158-F162 WeakPolarHBondContact O-CG 3.4Å; K158-F162 PolarHBondContact O-N 3.45Å; I159-F162 PolarHBondContact O-N 2.9Å; F162-R164 VanDerWaalsContact C-N 3.31Å; F162-R164 PolarHBondContact O-N 2.98Å; F162-D165 PolarHBondContact O-N 3.14Å; F162-I166 VanDerWaalsContact O-CG1 3.29Å; F162-I166 WeakPolarHBondContact O-CG1 3.41Å; F162-I166 PolarHBondContact O-N 2.96Å; F162-I166 VanDerWaalsContact O-N 3.08Å; F162-V190 HydrophobicContact CE1-CG1 3.98Å; F162-V190 HydrophobicContact CZ-CG1 4.36Å; F162-D194 HydrophobicContact CE1-CB 4.01Å; F162-D194 VanDerWaalsContact CE1-O 3.27Å; F162-D194 WeakPolarHBondContact CE1-O 3.35Å; F162-D194 HydrophobicContact CZ-CB 4.46Å; F162-V196 HydrophobicContact CB-CG2 4.06Å; F162-V196 HydrophobicContact CD1-CG2 3.28Å; F162-V196 HydrophobicContact CE1-CG2 3.96Å; F162-V196 HydrophobicContact CG-CG2 3.99Å; F162-L295 HydrophobicContact CB-CD1 4.24Å
163	G	98.7	Very high	97.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.9	-43.4	175.8	0	0	0	0	0	112.2	I159 I160 I166 A167 F288	I159-G163 PolarHBondContact O-N 3.19Å; I160-G163 PolarHBondContact O-N 2.95Å; G163-I166 PolarHBondContact O-N 3.04Å; G163-A167 VanDerWaalsContact O-CB 3.29Å; G163-A167 WeakPolarHBondContact O-CB 3.39Å; G163-A167 PolarHBondContact O-N 2.88Å; G163-F288 WeakPolarHBondContact O-CE2 3.4Å
164	R	98.6	Very high	97	Very high	45 Å²	45	22 Å²	22	17%	0.17	11%	0.109	C	C	.	.	H	α-helix	trans	-65.2	-44.6	-178.7	-174.7	-156.5	65.6	-152.9	-5.7	111.2	I160 T161 F162 A167 S168 I356 L359	I160-R164 WeakPolarHBondContact O-CB 3.32Å; I160-R164 PolarHBondContact O-N 3.42Å; T161-R164 PolarHBondContact O-N 3.25Å; F162-R164 VanDerWaalsContact C-N 3.31Å; F162-R164 PolarHBondContact O-N 2.98Å; R164-A167 PolarHBondContact O-N 2.89Å; R164-S168 VanDerWaalsContact O-CB 3.28Å; R164-S168 WeakPolarHBondContact O-CB 3.29Å; R164-S168 PolarHBondContact O-N 2.88Å; R164-I356 HydrophobicContact CG-CG2 4.43Å; R164-L359 HydrophobicContact CB-CB 4.32Å; R164-L359 HydrophobicContact CB-CD1 4.3Å
165	D	98.6	Very high	96.9	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.043	14%	0.138	C	C	.	.	H	α-helix	trans	-62.9	-45.2	179.1	-79.5	12.5	0	0	0	111.2	N116 T161 F162 S168 G169 S195 V196	N116-D165 WeakPolarHBondContact CB-O 3.46Å; N116-D165 VanDerWaalsContact ND2-CB 3.25Å; N116-D165 WeakPolarHBondContact ND2-CB 3.41Å; N116-D165 PolarHBondContact ND2-OD2 3.33Å; T161-D165 WeakPolarHBondContact O-CB 3.39Å; T161-D165 PolarHBondContact O-N 3.39Å; F162-D165 PolarHBondContact O-N 3.14Å; D165-S168 PolarHBondContact O-N 3.22Å; D165-G169 PolarHBondContact O-N 3.42Å; D165-S195 VanDerWaalsContact OD2-CA 3.28Å; D165-S195 WeakPolarHBondContact OD2-CA 3.39Å; D165-V196 HydrophobicContact CB-CB 3.82Å; D165-V196 HydrophobicContact CB-CG2 4.23Å; D165-V196 PolarHBondContact OD2-N 3.25Å
166	I	98.8	Very high	96.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.3	-48.6	174.9	-63.6	165.2	0	0	0	110.5	L142 F162 G163 S168 G169 M170 L183 C188 V196 V198 F288 I291	L142-I166 HydrophobicContact CD2-CD1 3.71Å; F162-I166 VanDerWaalsContact O-CG1 3.29Å; F162-I166 WeakPolarHBondContact O-CG1 3.41Å; F162-I166 PolarHBondContact O-N 2.96Å; F162-I166 VanDerWaalsContact O-N 3.08Å; G163-I166 PolarHBondContact O-N 3.04Å; I166-S168 VanDerWaalsContact C-N 3.28Å; I166-S168 PolarHBondContact O-N 2.88Å; I166-G169 PolarHBondContact O-N 3.11Å; I166-M170 HydrophobicContact CG2-CG 4.36Å; I166-M170 WeakPolarHBondContact O-CG 3.38Å; I166-M170 PolarHBondContact O-N 3.3Å; I166-L183 HydrophobicContact CG2-CD1 4.36Å; I166-L183 HydrophobicContact CG2-CD2 4.44Å; I166-C188 HydrophobicContact CD1-CB 4.25Å; I166-C188 HydrophobicContact CG1-CB 4.43Å; I166-V196 HydrophobicContact CD1-CG1 4.24Å; I166-V196 HydrophobicContact CG1-CB 4.24Å; I166-V196 HydrophobicContact CG1-CG1 3.66Å; I166-V198 HydrophobicContact CG2-CG2 4.19Å; I166-F288 HydrophobicContact CB-CD2 4.37Å; I166-F288 HydrophobicContact CB-CE2 4.16Å; I166-F288 HydrophobicContact CG2-CD2 3.79Å; I166-F288 HydrophobicContact CG2-CE2 4.09Å; I166-I291 HydrophobicContact CD1-CG2 4.02Å
167	A	98.8	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-39	179.3	0	0	0	0	0	111.9	G163 R164 M170 A171 F288 F352 C355 I356 L359	G163-A167 VanDerWaalsContact O-CB 3.29Å; G163-A167 WeakPolarHBondContact O-CB 3.39Å; G163-A167 PolarHBondContact O-N 2.88Å; R164-A167 PolarHBondContact O-N 2.89Å; A167-M170 PolarHBondContact O-N 3.3Å; A167-A171 WeakPolarHBondContact O-CB 3.3Å; A167-A171 PolarHBondContact O-N 3.34Å; A167-F288 HydrophobicContact CB-CE2 4.22Å; A167-F288 HydrophobicContact CB-CZ 4.09Å; A167-F352 HydrophobicContact CB-CD1 3.86Å; A167-C355 HydrophobicContact CB-CB 4.29Å; A167-I356 HydrophobicContact CB-CG1 3.73Å; A167-L359 HydrophobicContact CB-CD1 4.41Å
168	S	98.5	Very high	95.5	Very high	31 Å²	31	29.4 Å²	29.4	22%	0.217	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-45.7	175.6	-171.2	0	0	0	0	112.3	H114 R164 D165 I166 Y172	H114-S168 PolarHBondContact CE1-O 3.1Å; H114-S168 PolarHBondContact CE1-OG 3.29Å; H114-S168 PolarHBondContact NE2-OG 2.87Å; R164-S168 VanDerWaalsContact O-CB 3.28Å; R164-S168 WeakPolarHBondContact O-CB 3.29Å; R164-S168 PolarHBondContact O-N 2.88Å; D165-S168 PolarHBondContact O-N 3.22Å; I166-S168 VanDerWaalsContact C-N 3.28Å; I166-S168 PolarHBondContact O-N 2.88Å; S168-Y172 PolarHBondContact O-N 3.33Å; S168-Y172 VanDerWaalsContact O-N 3.17Å
169	G	97.5	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-47.1	173	0	0	0	0	0	112.2	I117 D165 I166 Y172 L173	I117-G169 WeakPolarHBondContact CD1-O 3.18Å; D165-G169 PolarHBondContact O-N 3.42Å; I166-G169 PolarHBondContact O-N 3.11Å; G169-Y172 WeakPolarHBondContact O-CB 3.33Å; G169-Y172 PolarHBondContact O-N 3.2Å; G169-L173 PolarHBondContact O-N 2.77Å
170	M	97.9	Very high	94.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.9	-37.8	-178.8	-70	-55.2	-61.4	0	0	113.6	I166 A167 Y172 L173 H174 H180 L183 V198 D284 F352	I166-M170 HydrophobicContact CG2-CG 4.36Å; I166-M170 WeakPolarHBondContact O-CG 3.38Å; I166-M170 PolarHBondContact O-N 3.3Å; A167-M170 PolarHBondContact O-N 3.3Å; M170-Y172 VanDerWaalsContact C-N 3.26Å; M170-Y172 PolarHBondContact O-N 3Å; M170-L173 PolarHBondContact O-N 3.1Å; M170-L173 HydrophobicContact SD-CD1 3.88Å; M170-H174 PolarHBondContact O-N 2.66Å; M170-H180 HydrophobicContact CE-CB 3.47Å; M170-H180 VanDerWaalsContact CE-CB 3.47Å; M170-H180 HydrophobicContact SD-CB 4.12Å; M170-L183 HydrophobicContact CE-CD2 4.14Å; M170-L183 HydrophobicContact CG-CD1 4.36Å; M170-L183 HydrophobicContact CG-CD2 3.82Å; M170-L183 HydrophobicContact SD-CD1 3.92Å; M170-L183 HydrophobicContact SD-CD2 3.97Å; M170-L183 HydrophobicContact SD-CG 4.46Å; M170-V198 HydrophobicContact CG-CG2 4.42Å; M170-V198 HydrophobicContact SD-CG1 4.02Å; M170-V198 HydrophobicContact SD-CG2 4.43Å; M170-D284 HydrophobicContact CE-CB 3.55Å; M170-D284 VanDerWaalsContact CE-OD2 3.28Å; M170-D284 WeakPolarHBondContact CE-OD2 3.41Å; M170-F352 HydrophobicContact CB-CD1 3.73Å; M170-F352 HydrophobicContact CB-CD2 3.53Å; M170-F352 HydrophobicContact CB-CE1 3.59Å; M170-F352 HydrophobicContact CB-CE2 3.42Å; M170-F352 VanDerWaalsContact CB-CE2 3.42Å; M170-F352 HydrophobicContact CB-CG 3.68Å; M170-F352 HydrophobicContact CB-CZ 3.44Å; M170-F352 VanDerWaalsContact CB-CZ 3.44Å; M170-F352 HydrophobicContact CE-CE2 4.04Å; M170-F352 HydrophobicContact CE-CZ 4.25Å; M170-F352 HydrophobicContact CG-CE1 3.94Å; M170-F352 HydrophobicContact CG-CE2 4.06Å; M170-F352 HydrophobicContact CG-CZ 3.69Å
171	A	97.4	Very high	94.4	Very high	10 Å²	10	29.1 Å²	29.1	8%	0.083	14%	0.142	C	C	.	.	H	α-helix	trans	-57.6	-42.6	171.7	0	0	0	0	0	111	A167 H174 K175 F352 I356	A167-A171 WeakPolarHBondContact O-CB 3.3Å; A167-A171 PolarHBondContact O-N 3.34Å; A171-H174 PolarHBondContact O-N 3.4Å; A171-K175 WeakPolarHBondContact O-CB 3.43Å; A171-K175 PolarHBondContact O-N 2.76Å; A171-F352 HydrophobicContact CB-CB 3.76Å; A171-I356 HydrophobicContact CB-CD1 3.98Å
172	Y	95.6	Very high	94.1	Very high	39 Å²	39	28.4 Å²	28.4	15%	0.153	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-44.6	175.2	177.5	-92.7	0	0	0	112.4	L112 K113 H114 I117 S168 G169 M170 K175 H176	L112-Y172 WeakPolarHBondContact CA-OH 3.49Å; L112-Y172 HydrophobicContact CB-CE1 4.02Å; L112-Y172 HydrophobicContact CD2-CE1 3.82Å; K113-Y172 PolarHBondContact N-OH 3.16Å; H114-Y172 HydrophobicContact CB-CD1 3.72Å; H114-Y172 HydrophobicContact CB-CD2 3.94Å; H114-Y172 HydrophobicContact CB-CE1 3.98Å; H114-Y172 HydrophobicContact CB-CE2 4.2Å; H114-Y172 HydrophobicContact CB-CG 3.69Å; H114-Y172 AromaticContact CD2-CD2 3.66Å; H114-Y172 AromaticContact CD2-CG 3.72Å; H114-Y172 AromaticContact CG-CG 3.76Å; I117-Y172 HydrophobicContact CG1-CD1 4.02Å; S168-Y172 PolarHBondContact O-N 3.33Å; S168-Y172 VanDerWaalsContact O-N 3.17Å; G169-Y172 WeakPolarHBondContact O-CB 3.33Å; G169-Y172 PolarHBondContact O-N 3.2Å; M170-Y172 VanDerWaalsContact C-N 3.26Å; M170-Y172 PolarHBondContact O-N 3Å; Y172-K175 PolarHBondContact O-N 2.9Å; Y172-H176 AromaticContact CD2-CE1 3.74Å; Y172-H176 AromaticContact CE2-CE1 3.26Å; Y172-H176 WeakPolarHBondContact CE2-CE1 3.49Å; Y172-H176 AromaticContact CE2-ND1 3.9Å; Y172-H176 AromaticContact CZ-CE1 3.45Å; Y172-H176 VanDerWaalsContact CZ-CE1 3.45Å; Y172-H176 AromaticContact CZ-ND1 3.87Å; Y172-H176 PolarHBondContact O-N 2.95Å; Y172-H176 PolarHBondContact O-ND1 2.87Å
173	L	93	Very high	93.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.2	-45.8	177.1	-70	178.3	0	0	0	112.1	L112 I117 G169 M170 K175 H176 D177 V178 F201	L112-L173 HydrophobicContact CD1-CD2 4.18Å; I117-L173 HydrophobicContact CD1-CD1 3.83Å; I117-L173 HydrophobicContact CD1-CD2 4.16Å; I117-L173 HydrophobicContact CD1-CG 3.75Å; G169-L173 PolarHBondContact O-N 2.77Å; M170-L173 PolarHBondContact O-N 3.1Å; M170-L173 HydrophobicContact SD-CD1 3.88Å; L173-K175 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 2.82Å; L173-H176 CarbonylContact O-C 3.6Å; L173-H176 WeakPolarHBondContact O-CA 3.25Å; L173-H176 PolarHBondContact O-N 3.15Å; L173-D177 PolarHBondContact O-N 2.84Å; L173-V178 CarbonylContact C-O 3.58Å; L173-V178 HydrophobicContact CB-CB 4.1Å; L173-V178 HydrophobicContact CB-CG1 4.44Å; L173-V178 HydrophobicContact CD2-CB 4.28Å; L173-V178 HydrophobicContact CD2-CG1 4.22Å; L173-V178 WeakPolarHBondContact O-CB 3.27Å; L173-V178 PolarHBondContact O-N 3.49Å; L173-F201 HydrophobicContact CD1-CB 3.62Å; L173-F201 HydrophobicContact CD1-CD1 4.49Å; L173-F201 HydrophobicContact CD1-CD2 4.43Å; L173-F201 HydrophobicContact CD1-CG 3.94Å; L173-F201 HydrophobicContact CD2-CB 4.39Å; L173-F201 HydrophobicContact CD2-CD2 3.72Å; L173-F201 HydrophobicContact CD2-CE2 4.25Å; L173-F201 HydrophobicContact CD2-CG 4.06Å
174	H	92.8	Very high	93.8	Very high	23 Å²	23	28.4 Å²	28.4	11%	0.106	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-37.6	178.9	-76.4	-163.4	0	0	0	112.1	M170 A171 H176 D177 V178 N281 D284 F352	M170-H174 PolarHBondContact O-N 2.66Å; A171-H174 PolarHBondContact O-N 3.4Å; H174-H176 PolarHBondContact O-N 3.26Å; H174-D177 PolarHBondContact O-N 2.76Å; H174-V178 PolarHBondContact CD2-O 2.79Å; H174-N281 PolarHBondContact CE1-O 3.41Å; H174-N281 PolarHBondContact ND1-ND2 3.42Å; H174-D284 IonicContact CD2-OD2 3.82Å; H174-D284 IonicContact CE1-OD2 3.82Å; H174-D284 IonicContact NE2-OD2 2.66Å; H174-D284 PolarHBondContact NE2-OD2 3.48Å; H174-F352 AromaticContact CE1-CD2 3.47Å; H174-F352 VanDerWaalsContact CE1-CD2 3.47Å; H174-F352 WeakPolarHBondContact CE1-CD2 3.39Å; H174-F352 AromaticContact CE1-CE2 3.35Å; H174-F352 WeakPolarHBondContact CE1-CE2 3.36Å; H174-F352 AromaticContact ND1-CD2 3.54Å; H174-F352 AromaticContact ND1-CE2 3.93Å; H174-F352 AromaticContact NE2-CE2 3.84Å
175	K	92.1	Very high	93.7	Very high	174 Å²	174	26.3 Å²	26.3	76%	0.757	13%	0.129	S	C	*	.	H	α-helix	trans	-61.5	-22.9	173.2	-176.2	175.2	179.4	177.6	0	113.5	A171 Y172 L173	A171-K175 WeakPolarHBondContact O-CB 3.43Å; A171-K175 PolarHBondContact O-N 2.76Å; Y172-K175 PolarHBondContact O-N 2.9Å; L173-K175 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 2.82Å
176	H	87	Confident	93.5	Very high	88 Å²	88	29.2 Å²	29.2	41%	0.407	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	22	175.8	-64.4	80.1	0	0	0	112.5	L112 Y172 L173 H174 V178	L112-H176 HydrophobicContact CD2-CB 4.26Å; Y172-H176 AromaticContact CD2-CE1 3.74Å; Y172-H176 AromaticContact CE2-CE1 3.26Å; Y172-H176 WeakPolarHBondContact CE2-CE1 3.49Å; Y172-H176 AromaticContact CE2-ND1 3.9Å; Y172-H176 AromaticContact CZ-CE1 3.45Å; Y172-H176 VanDerWaalsContact CZ-CE1 3.45Å; Y172-H176 AromaticContact CZ-ND1 3.87Å; Y172-H176 PolarHBondContact O-N 2.95Å; Y172-H176 PolarHBondContact O-ND1 2.87Å; L173-H176 CarbonylContact O-C 3.6Å; L173-H176 WeakPolarHBondContact O-CA 3.25Å; L173-H176 PolarHBondContact O-N 3.15Å; H174-H176 PolarHBondContact O-N 3.26Å; H176-V178 PolarHBondContact O-N 2.83Å
177	D	85.8	Confident	93.3	Very high	111 Å²	111	29.9 Å²	29.9	59%	0.594	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	36	178.8	-58.3	-54.1	0	0	0	113.4	L173 H174 K205	L173-D177 PolarHBondContact O-N 2.84Å; H174-D177 PolarHBondContact O-N 2.76Å; D177-K205 PolarHBondContact O-NZ 3.34Å
178	V	86	Confident	93.2	Very high	12 Å²	12	29.9 Å²	29.9	7%	0.073	15%	0.148	C	C	.	.			trans	-107.1	113	174	-177.7	0	0	0	0	109.5	L173 H174 H176	L173-V178 CarbonylContact C-O 3.58Å; L173-V178 HydrophobicContact CB-CB 4.1Å; L173-V178 HydrophobicContact CB-CG1 4.44Å; L173-V178 HydrophobicContact CD2-CB 4.28Å; L173-V178 HydrophobicContact CD2-CG1 4.22Å; L173-V178 WeakPolarHBondContact O-CB 3.27Å; L173-V178 PolarHBondContact O-N 3.49Å; H174-V178 PolarHBondContact CD2-O 2.79Å; H176-V178 PolarHBondContact O-N 2.83Å
179	I	88.9	Confident	93.1	Very high	30 Å²	30	29.9 Å²	29.9	15%	0.154	15%	0.146	C	C	.	.			trans	-89.1	127.6	166.3	-48.3	177.5	0	0	0	107.8	R181 N281 V283 D284	I179-R181 HydrophobicContact CB-CG 4.12Å; I179-R181 HydrophobicContact CG2-CG 3.58Å; I179-N281 HydrophobicContact CD1-CB 4.4Å; I179-N281 HydrophobicContact CG1-CB 4.02Å; I179-V283 HydrophobicContact CG2-CG2 3.88Å; I179-D284 WeakPolarHBondContact CA-OD2 3.38Å; I179-D284 WeakPolarHBondContact CG2-OD2 3.26Å
180	H	91.1	Very high	93.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.146	C	C	.	.			trans	-71.1	-48.7	-177	-168	-62.5	0	0	0	111.7	M170 D182 L183 V198 S199 F201 D284	M170-H180 HydrophobicContact CE-CB 3.47Å; M170-H180 VanDerWaalsContact CE-CB 3.47Å; M170-H180 HydrophobicContact SD-CB 4.12Å; H180-D182 VanDerWaalsContact CE1-C 3.47Å; H180-D182 PolarHBondContact CE1-O 2.97Å; H180-D182 PolarHBondContact ND1-N 3.39Å; H180-D182 PolarHBondContact ND1-O 3.24Å; H180-D182 PolarHBondContact O-N 2.94Å; H180-L183 HydrophobicContact CB-CB 4.4Å; H180-L183 PolarHBondContact ND1-N 3.43Å; H180-V198 VanDerWaalsContact CD2-CG1 3.5Å; H180-V198 WeakPolarHBondContact CD2-CG1 3.28Å; H180-V198 WeakPolarHBondContact NE2-CG1 3.37Å; H180-S199 PolarHBondContact NE2-O 3.02Å; H180-F201 PolarHBondContact NE2-N 2.95Å; H180-D284 WeakPolarHBondContact CB-OD1 3.37Å; H180-D284 PolarHBondContact N-OD1 2.93Å; H180-D284 PolarHBondContact N-OD2 3.1Å
181	R	90.2	Very high	93	Very high	9 Å²	9	30.6 Å²	30.6	3%	0.034	15%	0.148	C	C	.	.	S	Bend	trans	68.5	-17.9	178.4	-56.9	-179.6	-79.4	-176.6	1.2	116.6	I179 S204 V263 M273 Y279 D284	I179-R181 HydrophobicContact CB-CG 4.12Å; I179-R181 HydrophobicContact CG2-CG 3.58Å; R181-S204 PolarHBondContact NE-OG 3.41Å; R181-S204 PolarHBondContact NH2-OG 3.06Å; R181-V263 HydrophobicContact CB-CG2 4.37Å; R181-M273 HydrophobicContact CB-CE 4.3Å; R181-Y279 VanDerWaalsContact CD-OH 3.26Å; R181-Y279 WeakPolarHBondContact CD-OH 3.37Å; R181-Y279 HydrophobicContact CG-CE2 4.33Å; R181-D284 PolarHBondContact N-OD1 3.38Å
182	D	90.5	Very high	92.9	Very high	15 Å²	15	36.1 Å²	36.1	8%	0.08	17%	0.172	C	C	.	.			trans	-130.2	44.3	173.7	-169.2	41.1	0	0	0	112.3	Y71 H180 T184 N187 G264 S265	Y71-D182 PolarHBondContact OH-OD2 3.4Å; H180-D182 VanDerWaalsContact CE1-C 3.47Å; H180-D182 PolarHBondContact CE1-O 2.97Å; H180-D182 PolarHBondContact ND1-N 3.39Å; H180-D182 PolarHBondContact ND1-O 3.24Å; H180-D182 PolarHBondContact O-N 2.94Å; D182-T184 PolarHBondContact O-N 3.33Å; D182-N187 PolarHBondContact O-ND2 3.13Å; D182-N187 PolarHBondContact OD2-ND2 3.06Å; D182-G264 WeakPolarHBondContact OD1-CA 3.27Å; D182-S265 WeakPolarHBondContact OD1-CB 3.4Å; D182-S265 PolarHBondContact OD1-N 3.35Å; D182-S265 PolarHBondContact OD1-OG 2.83Å
183	L	95.4	Very high	92.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.			trans	-74.6	115.3	-179.7	-179.3	65.6	0	0	0	109.4	I166 M170 H180 V198 S287 F288 I291 F352	I166-L183 HydrophobicContact CG2-CD1 4.36Å; I166-L183 HydrophobicContact CG2-CD2 4.44Å; M170-L183 HydrophobicContact CE-CD2 4.14Å; M170-L183 HydrophobicContact CG-CD1 4.36Å; M170-L183 HydrophobicContact CG-CD2 3.82Å; M170-L183 HydrophobicContact SD-CD1 3.92Å; M170-L183 HydrophobicContact SD-CD2 3.97Å; M170-L183 HydrophobicContact SD-CG 4.46Å; H180-L183 HydrophobicContact CB-CB 4.4Å; H180-L183 PolarHBondContact ND1-N 3.43Å; L183-V198 HydrophobicContact CD1-CG1 3.87Å; L183-S287 WeakPolarHBondContact O-CB 3.45Å; L183-F288 HydrophobicContact CD2-CB 4.06Å; L183-I291 HydrophobicContact CD1-CD1 4.29Å; L183-I291 HydrophobicContact CD2-CD1 4.34Å; L183-I291 HydrophobicContact CG-CD1 3.81Å; L183-F352 HydrophobicContact CD2-CZ 4.28Å
184	T	95.5	Very high	93	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.186	C	C	.	.			trans	-140.8	169	-178.2	71.7	0	0	0	0	111.2	D182 N186 N187 C188 W268	D182-T184 PolarHBondContact O-N 3.33Å; T184-N186 PolarHBondContact O-N 3.08Å; T184-N186 PolarHBondContact OG1-N 3.45Å; T184-N187 CarbonylContact O-C 3.59Å; T184-N187 PolarHBondContact O-N 3.32Å; T184-N187 PolarHBondContact OG1-N 3.48Å; T184-C188 PolarHBondContact O-N 2.93Å; T184-C188 PolarHBondContact O-SG 3.46Å; T184-W268 HydrophobicContact CG2-CB 4.15Å; T184-W268 HydrophobicContact CG2-CD2 3.64Å; T184-W268 HydrophobicContact CG2-CE3 3.77Å; T184-W268 HydrophobicContact CG2-CG 3.82Å; T184-W268 HydrophobicContact CG2-CZ3 4.41Å
185	T	96.8	Very high	93.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-63.5	-21.3	170.4	49.9	0	0	0	0	113.5	L142 H143 I291 Q294	L142-T185 PolarHBondContact N-O 3.15Å; H143-T185 WeakPolarHBondContact CB-OG1 3.29Å; H143-T185 PolarHBondContact N-O 3.22Å; H143-T185 PolarHBondContact ND1-OG1 2.86Å; T185-I291 HydrophobicContact CG2-CB 4.43Å; T185-I291 HydrophobicContact CG2-CG1 4.14Å; T185-I291 HydrophobicContact CG2-CG2 3.96Å; T185-Q294 HydrophobicContact CG2-CB 4.48Å; T185-Q294 VanDerWaalsContact CG2-OE1 3.23Å
186	N	93.5	Very high	93.5	Very high	70 Å²	70	29 Å²	29	37%	0.374	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-32.1	175.4	-74.5	-55.5	0	0	0	111.7	H143 T184 C188	H143-N186 WeakPolarHBondContact CB-OD1 3.4Å; H143-N186 PolarHBondContact CD2-OD1 3.25Å; T184-N186 PolarHBondContact O-N 3.08Å; T184-N186 PolarHBondContact OG1-N 3.45Å; N186-C188 VanDerWaalsContact C-N 3.28Å; N186-C188 PolarHBondContact O-N 3.23Å
187	N	94.3	Very high	93.9	Very high	14 Å²	14	24.9 Å²	24.9	8%	0.075	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	15.2	178.4	-62.7	-16.8	0	0	0	112.6	D182 T184 S199 D200	D182-N187 PolarHBondContact O-ND2 3.13Å; D182-N187 PolarHBondContact OD2-ND2 3.06Å; T184-N187 CarbonylContact O-C 3.59Å; T184-N187 PolarHBondContact O-N 3.32Å; T184-N187 PolarHBondContact OG1-N 3.48Å; N187-S199 WeakPolarHBondContact CA-OG 3.5Å; N187-S199 PolarHBondContact O-N 2.81Å; N187-S199 PolarHBondContact O-OG 3.36Å; N187-D200 PolarHBondContact OD1-OD2 3.36Å
188	C	97.3	Very high	94.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.5	168.7	-63.9	0	0	0	0	107.2	S141 L142 I166 T184 N186 V196 V197	S141-C188 CarbonylContact C-O 3.58Å; S141-C188 WeakPolarHBondContact CA-O 3.34Å; L142-C188 HydrophobicContact CB-CB 3.95Å; L142-C188 WeakPolarHBondContact CB-O 3.42Å; L142-C188 HydrophobicContact CD2-CB 4.1Å; L142-C188 PolarHBondContact N-O 3.48Å; I166-C188 HydrophobicContact CD1-CB 4.25Å; I166-C188 HydrophobicContact CG1-CB 4.43Å; T184-C188 PolarHBondContact O-N 2.93Å; T184-C188 PolarHBondContact O-SG 3.46Å; N186-C188 VanDerWaalsContact C-N 3.28Å; N186-C188 PolarHBondContact O-N 3.23Å; C188-V196 HydrophobicContact CB-CG1 3.86Å; C188-V197 CarbonylContact C-O 3.58Å; C188-V197 WeakPolarHBondContact CA-O 3.42Å
189	L	97	Very high	94.7	Very high	30 Å²	30	19 Å²	19	16%	0.157	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.9	-177.8	-52.2	179.3	0	0	0	110.3	L118 I137 G140 V196 V197	L118-L189 HydrophobicContact CD1-CD1 4.22Å; L118-L189 HydrophobicContact CD2-CD1 4.19Å; I137-L189 HydrophobicContact CB-CB 3.89Å; I137-L189 HydrophobicContact CB-CD1 4.17Å; I137-L189 HydrophobicContact CG1-CB 4.02Å; I137-L189 HydrophobicContact CG1-CD1 3.94Å; I137-L189 HydrophobicContact CG2-CB 3.59Å; G140-L189 CarbonylContact O-C 3.44Å; G140-L189 WeakPolarHBondContact O-CA 3.4Å; L189-V196 CarbonylContact O-C 3.59Å; L189-V196 WeakPolarHBondContact O-CA 3.46Å; L189-V197 HydrophobicContact CB-CG2 3.85Å; L189-V197 PolarHBondContact N-O 2.89Å; L189-V197 PolarHBondContact O-N 3.17Å
190	V	97.6	Very high	94.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.4	-174.4	-172	0	0	0	0	110.7	I137 K139 G140 L142 L145 F162 V196	I137-V190 WeakPolarHBondContact CG2-O 3.29Å; K139-V190 HydrophobicContact CB-CB 4.19Å; K139-V190 WeakPolarHBondContact CB-O 3.45Å; K139-V190 HydrophobicContact CD-CG1 4.06Å; K139-V190 PolarHBondContact N-O 3.38Å; K139-V190 VanDerWaalsContact N-O 3.13Å; G140-V190 PolarHBondContact O-N 2.84Å; L142-V190 HydrophobicContact CB-CG2 3.97Å; L142-V190 HydrophobicContact CD1-CG2 3.89Å; L145-V190 HydrophobicContact CD2-CB 3.76Å; L145-V190 HydrophobicContact CD2-CG1 3.86Å; L145-V190 HydrophobicContact CD2-CG2 3.78Å; F162-V190 HydrophobicContact CE1-CG1 3.98Å; F162-V190 HydrophobicContact CZ-CG1 4.36Å; V190-V196 HydrophobicContact CG2-CG2 4.33Å
191	R	96	Very high	93.7	Very high	15 Å²	15	19.5 Å²	19.5	6%	0.057	10%	0.098	C	C	.	.			trans	-70.9	165.2	176	-74.1	-176.9	173.3	137.9	6.4	111.5	S44 P115 E135 I137 K139 D193 D194 S195	S44-R191 WeakPolarHBondContact OG-CD 3.3Å; S44-R191 PolarHBondContact OG-NH1 2.83Å; P115-R191 PolarHBondContact O-NH1 2.95Å; E135-R191 IonicContact OE1-NH2 3.54Å; E135-R191 PolarHBondContact OE1-NH2 3.17Å; E135-R191 VanDerWaalsContact OE1-NH2 3.17Å; E135-R191 IonicContact OE2-CZ 3.68Å; E135-R191 IonicContact OE2-NE 2.8Å; E135-R191 PolarHBondContact OE2-NE 2.9Å; E135-R191 IonicContact OE2-NH2 3.82Å; E135-R191 PolarHBondContact OE2-NH2 3.2Å; I137-R191 HydrophobicContact CD1-CG 3.76Å; I137-R191 HydrophobicContact CG2-CG 4.15Å; K139-R191 WeakPolarHBondContact CD-O 3.42Å; R191-D193 WeakPolarHBondContact CB-OD1 3.26Å; R191-D193 PolarHBondContact O-N 3.14Å; R191-D193 VanDerWaalsContact O-N 3.15Å; R191-D194 PolarHBondContact O-N 3Å; R191-S195 WeakPolarHBondContact CD-OG 3.39Å; R191-S195 PolarHBondContact N-O 3.37Å
192	Q	94.4	Very high	92.2	Very high	126 Å²	126	19.1 Å²	19.1	59%	0.589	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.4	177.2	-170.5	65.7	4.3	0	0	113.7	E138 K139 D194	E138-Q192 HydrophobicContact CB-CB 4.44Å; E138-Q192 HydrophobicContact CG-CB 4.42Å; E138-Q192 PolarHBondContact OE2-N 3.38Å; K139-Q192 VanDerWaalsContact CE-O 3.31Å; K139-Q192 WeakPolarHBondContact CE-O 3.39Å; K139-Q192 PolarHBondContact NZ-O 3.32Å; Q192-D194 VanDerWaalsContact C-N 3.25Å; Q192-D194 PolarHBondContact O-N 3.24Å
193	D	94.8	Very high	90.6	Very high	50 Å²	50	19.7 Å²	19.7	27%	0.267	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.9	176.7	63.1	-0.2	0	0	0	112.6	R41 R191 S195	R41-D193 WeakPolarHBondContact CD-OD2 3.34Å; R41-D193 IonicContact NE-OD2 3.83Å; R41-D193 VanDerWaalsContact NH1-C 3.28Å; R41-D193 PolarHBondContact NH1-O 2.95Å; R41-D193 IonicContact NH1-OD1 3.45Å; R41-D193 PolarHBondContact NH2-O 3.41Å; R191-D193 WeakPolarHBondContact CB-OD1 3.26Å; R191-D193 PolarHBondContact O-N 3.14Å; R191-D193 VanDerWaalsContact O-N 3.15Å; D193-S195 VanDerWaalsContact OD1-CB 3.29Å; D193-S195 WeakPolarHBondContact OD1-CB 3.29Å; D193-S195 PolarHBondContact OD1-N 3.44Å; D193-S195 PolarHBondContact OD1-OG 2.92Å; D193-S195 PolarHBondContact OD2-OG 3.22Å
194	D	95.7	Very high	88.4	Confident	34 Å²	34	20.8 Å²	20.8	18%	0.182	11%	0.108	C	C	.	.	S	Bend	trans	88.5	12.4	-166.5	-63.7	-48.7	0	0	0	113.8	R41 K139 K158 F162 R191 Q192	R41-D194 PolarHBondContact NH1-O 3.39Å; K139-D194 IonicContact NZ-OD1 3.81Å; K139-D194 PolarHBondContact NZ-OD1 3.35Å; K139-D194 IonicContact NZ-OD2 2.8Å; K158-D194 IonicContact NZ-OD1 3.66Å; K158-D194 PolarHBondContact NZ-OD1 3.41Å; K158-D194 IonicContact NZ-OD2 3.26Å; K158-D194 PolarHBondContact NZ-OD2 2.98Å; F162-D194 HydrophobicContact CE1-CB 4.01Å; F162-D194 VanDerWaalsContact CE1-O 3.27Å; F162-D194 WeakPolarHBondContact CE1-O 3.35Å; F162-D194 HydrophobicContact CZ-CB 4.46Å; R191-D194 PolarHBondContact O-N 3Å; Q192-D194 VanDerWaalsContact C-N 3.25Å; Q192-D194 PolarHBondContact O-N 3.24Å
195	S	97	Very high	86.3	Confident	4 Å²	4	25 Å²	25	3%	0.028	13%	0.126	C	C	.	.			trans	-78	145	169.5	58	0	0	0	0	109.8	S44 D165 R191 D193	S44-S195 PolarHBondContact OG-OG 2.87Å; D165-S195 VanDerWaalsContact OD2-CA 3.28Å; D165-S195 WeakPolarHBondContact OD2-CA 3.39Å; R191-S195 WeakPolarHBondContact CD-OG 3.39Å; R191-S195 PolarHBondContact N-O 3.37Å; D193-S195 VanDerWaalsContact OD1-CB 3.29Å; D193-S195 WeakPolarHBondContact OD1-CB 3.29Å; D193-S195 PolarHBondContact OD1-N 3.44Å; D193-S195 PolarHBondContact OD1-OG 2.92Å; D193-S195 PolarHBondContact OD2-OG 3.22Å
196	V	98.2	Very high	84	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138	-177.1	-169.1	0	0	0	0	110.3	N116 F162 D165 I166 C188 L189 V190	N116-V196 WeakPolarHBondContact CA-O 3.5Å; N116-V196 WeakPolarHBondContact CB-O 3.39Å; N116-V196 PolarHBondContact ND2-O 3.46Å; F162-V196 HydrophobicContact CB-CG2 4.06Å; F162-V196 HydrophobicContact CD1-CG2 3.28Å; F162-V196 HydrophobicContact CE1-CG2 3.96Å; F162-V196 HydrophobicContact CG-CG2 3.99Å; D165-V196 HydrophobicContact CB-CB 3.82Å; D165-V196 HydrophobicContact CB-CG2 4.23Å; D165-V196 PolarHBondContact OD2-N 3.25Å; I166-V196 HydrophobicContact CD1-CG1 4.24Å; I166-V196 HydrophobicContact CG1-CB 4.24Å; I166-V196 HydrophobicContact CG1-CG1 3.66Å; C188-V196 HydrophobicContact CB-CG1 3.86Å; L189-V196 CarbonylContact O-C 3.59Å; L189-V196 WeakPolarHBondContact O-CA 3.46Å; V190-V196 HydrophobicContact CG2-CG2 4.33Å
197	V	96.9	Very high	81.7	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.4	169.3	-60.4	0	0	0	0	110.1	P115 N116 L118 I137 C188 L189	P115-V197 WeakPolarHBondContact O-CG1 3.47Å; N116-V197 WeakPolarHBondContact O-CA 3.48Å; L118-V197 HydrophobicContact CB-CG2 4.27Å; L118-V197 HydrophobicContact CD1-CG2 3.91Å; I137-V197 HydrophobicContact CD1-CG2 3.82Å; I137-V197 HydrophobicContact CG1-CG2 3.92Å; C188-V197 CarbonylContact C-O 3.58Å; C188-V197 WeakPolarHBondContact CA-O 3.42Å; L189-V197 HydrophobicContact CB-CG2 3.85Å; L189-V197 PolarHBondContact N-O 2.89Å; L189-V197 PolarHBondContact O-N 3.17Å
198	V	96.2	Very high	79.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.8	171.2	-176.8	0	0	0	0	108.6	N116 I117 L118 I166 M170 H180 L183 F201	N116-V198 PolarHBondContact O-N 2.83Å; I117-V198 HydrophobicContact CD1-CB 3.91Å; I117-V198 HydrophobicContact CD1-CG2 4.45Å; L118-V198 WeakPolarHBondContact CB-O 3.36Å; L118-V198 PolarHBondContact N-O 2.8Å; I166-V198 HydrophobicContact CG2-CG2 4.19Å; M170-V198 HydrophobicContact CG-CG2 4.42Å; M170-V198 HydrophobicContact SD-CG1 4.02Å; M170-V198 HydrophobicContact SD-CG2 4.43Å; H180-V198 VanDerWaalsContact CD2-CG1 3.5Å; H180-V198 WeakPolarHBondContact CD2-CG1 3.28Å; H180-V198 WeakPolarHBondContact NE2-CG1 3.37Å; L183-V198 HydrophobicContact CD1-CG1 3.87Å; V198-F201 WeakPolarHBondContact O-CD1 3.35Å; V198-F201 WeakPolarHBondContact O-CE1 3.47Å
199	S	91.5	Very high	77	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.			trans	-113.5	169.5	178.7	71.4	0	0	0	0	111.7	H180 N187 F201	H180-S199 PolarHBondContact NE2-O 3.02Å; N187-S199 WeakPolarHBondContact CA-OG 3.5Å; N187-S199 PolarHBondContact O-N 2.81Å; N187-S199 PolarHBondContact O-OG 3.36Å; S199-F201 PolarHBondContact O-N 3.09Å
200	D	83.4	Confident	74.5	Confident	34 Å²	34	29.6 Å²	29.6	18%	0.182	15%	0.154	C	C	.	.	S	Bend	trans	61.8	13.1	170.1	-55.9	-51.3	0	0	0	115.3	K89 N187 L203	K89-D200 IonicContact NZ-OD1 2.81Å; K89-D200 PolarHBondContact NZ-OD1 2.91Å; K89-D200 IonicContact NZ-OD2 2.73Å; K89-D200 PolarHBondContact NZ-OD2 3.12Å; N187-D200 PolarHBondContact OD1-OD2 3.36Å; D200-L203 HydrophobicContact CB-CD1 3.91Å; D200-L203 WeakPolarHBondContact OD1-CD1 3.45Å
201	F	75.1	Confident	71.7	Confident	7 Å²	7	35.2 Å²	35.2	3%	0.031	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	144.4	164.6	60.1	-85.5	0	0	0	110.2	L109 L112 I117 L118 I120 L173 H180 V198 S199 L203	L109-F201 HydrophobicContact CD2-CD2 4.42Å; L109-F201 HydrophobicContact CD2-CE2 4.26Å; L112-F201 HydrophobicContact CD1-CD2 4.12Å; L112-F201 HydrophobicContact CD1-CE2 3.7Å; I117-F201 HydrophobicContact CG2-CD1 4.18Å; I117-F201 HydrophobicContact CG2-CE1 3.35Å; I117-F201 HydrophobicContact CG2-CE2 3.9Å; I117-F201 HydrophobicContact CG2-CZ 3.18Å; L118-F201 HydrophobicContact CB-CE1 4.32Å; I120-F201 HydrophobicContact CD1-CZ 4.42Å; L173-F201 HydrophobicContact CD1-CB 3.62Å; L173-F201 HydrophobicContact CD1-CD1 4.49Å; L173-F201 HydrophobicContact CD1-CD2 4.43Å; L173-F201 HydrophobicContact CD1-CG 3.94Å; L173-F201 HydrophobicContact CD2-CB 4.39Å; L173-F201 HydrophobicContact CD2-CD2 3.72Å; L173-F201 HydrophobicContact CD2-CE2 4.25Å; L173-F201 HydrophobicContact CD2-CG 4.06Å; H180-F201 PolarHBondContact NE2-N 2.95Å; V198-F201 WeakPolarHBondContact O-CD1 3.35Å; V198-F201 WeakPolarHBondContact O-CE1 3.47Å; S199-F201 PolarHBondContact O-N 3.09Å; F201-L203 PolarHBondContact O-N 2.96Å
202	G	58.6	Low	68.9	Low	2 Å²	2	38.1 Å²	38.1	2%	0.021	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-11.5	173.4	0	0	0	0	0	116.1	S204 K205 L206	G202-S204 PolarHBondContact O-N 2.8Å; G202-K205 WeakPolarHBondContact O-CA 3.26Å; G202-K205 WeakPolarHBondContact O-CB 3.07Å; G202-K205 PolarHBondContact O-N 2.74Å; G202-L206 PolarHBondContact O-N 2.93Å
203	L	56.6	Low	65.8	Low	27 Å²	27	38.2 Å²	38.2	14%	0.141	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-33.7	170.5	-67.2	-179	0	0	0	111.4	L132 D200 F201 K205 L206 V207	L132-L203 HydrophobicContact CD1-CD2 3.39Å; D200-L203 HydrophobicContact CB-CD1 3.91Å; D200-L203 WeakPolarHBondContact OD1-CD1 3.45Å; F201-L203 PolarHBondContact O-N 2.96Å; L203-K205 VanDerWaalsContact C-N 3.3Å; L203-K205 PolarHBondContact O-N 3.35Å; L203-L206 PolarHBondContact O-N 3.42Å; L203-V207 VanDerWaalsContact O-CG2 3.29Å; L203-V207 WeakPolarHBondContact O-CG2 3.25Å; L203-V207 PolarHBondContact O-N 3.2Å
204	S	50.5	Low	62.9	Low	22 Å²	22	43.7 Å²	43.7	15%	0.154	25%	0.248	C	C	.	.	H	α-helix	trans	-66.8	-27.5	172.5	61.4	0	0	0	0	113.4	R181 G202 Q208	R181-S204 PolarHBondContact NE-OG 3.41Å; R181-S204 PolarHBondContact NH2-OG 3.06Å; G202-S204 PolarHBondContact O-N 2.8Å; S204-Q208 VanDerWaalsContact O-CB 3.25Å; S204-Q208 WeakPolarHBondContact O-CB 3.13Å; S204-Q208 WeakPolarHBondContact O-CG 3.48Å; S204-Q208 PolarHBondContact O-N 3.4Å
205	K	49.9	Very low	59.8	Low	90 Å²	90	50.8 Å²	50.8	39%	0.391	28%	0.279	S	S	.	.	H	α-helix	trans	-73.4	-42.3	170.2	-73.8	-173.1	178.9	-179.2	0	110.2	D177 G202 L203 V207 Q208 S209	D177-K205 PolarHBondContact O-NZ 3.34Å; G202-K205 WeakPolarHBondContact O-CA 3.26Å; G202-K205 WeakPolarHBondContact O-CB 3.07Å; G202-K205 PolarHBondContact O-N 2.74Å; L203-K205 VanDerWaalsContact C-N 3.3Å; L203-K205 PolarHBondContact O-N 3.35Å; K205-V207 VanDerWaalsContact C-N 3.3Å; K205-V207 PolarHBondContact O-N 3.21Å; K205-Q208 PolarHBondContact O-N 3.43Å; K205-Q208 VanDerWaalsContact O-N 3.11Å; K205-S209 WeakPolarHBondContact O-CB 3.31Å; K205-S209 PolarHBondContact O-N 3.22Å; K205-S209 PolarHBondContact O-OG 3.43Å
206	L	48.7	Very low	56.7	Low	6 Å²	6	56.6 Å²	56.6	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-35.6	177	-168.3	67	0	0	0	113.2	I102 E105 G202 L203 S209 I210	I102-L206 HydrophobicContact CB-CD1 4.28Å; I102-L206 HydrophobicContact CG1-CD1 4.05Å; I102-L206 HydrophobicContact CG2-CD1 4.28Å; E105-L206 HydrophobicContact CB-CD1 3.75Å; E105-L206 VanDerWaalsContact OE2-CA 3.25Å; E105-L206 WeakPolarHBondContact OE2-CA 3.34Å; E105-L206 WeakPolarHBondContact OE2-CD1 3.36Å; G202-L206 PolarHBondContact O-N 2.93Å; L203-L206 PolarHBondContact O-N 3.42Å; L206-S209 PolarHBondContact O-OG 3.39Å; L206-I210 WeakPolarHBondContact O-CD1 3.16Å; L206-I210 VanDerWaalsContact O-CG1 3.3Å; L206-I210 WeakPolarHBondContact O-CG1 3.44Å
207	V	46.9	Very low	53.3	Low	76 Å²	76	62.9 Å²	62.9	46%	0.461	35%	0.353	S	S	.	.	H	α-helix	trans	-79	-27.1	175.6	175.1	0	0	0	0	111.9	L203 K205	L203-V207 VanDerWaalsContact O-CG2 3.29Å; L203-V207 WeakPolarHBondContact O-CG2 3.25Å; L203-V207 PolarHBondContact O-N 3.2Å; K205-V207 VanDerWaalsContact C-N 3.3Å; K205-V207 PolarHBondContact O-N 3.21Å
208	Q	47.1	Very low	50.3	Low	74 Å²	74	69.4 Å²	69.4	35%	0.346	39%	0.393	S	S	.	.	H	α-helix	trans	-87.7	-25.9	-178.9	-75.6	170	13.1	0	0	114.1	S204 K205 I210 T261	S204-Q208 VanDerWaalsContact O-CB 3.25Å; S204-Q208 WeakPolarHBondContact O-CB 3.13Å; S204-Q208 WeakPolarHBondContact O-CG 3.48Å; S204-Q208 PolarHBondContact O-N 3.4Å; K205-Q208 PolarHBondContact O-N 3.43Å; K205-Q208 VanDerWaalsContact O-N 3.11Å; Q208-I210 PolarHBondContact O-N 3.49Å; Q208-T261 PolarHBondContact NE2-OG1 3.29Å
209	S	44.7	Very low	47.1	Very low	40 Å²	40	75.3 Å²	75.3	28%	0.28	43%	0.429	S	S	.	.	S	Bend	trans	-70.3	-12.9	173.5	59.2	0	0	0	0	112.7	E105 K205 L206 P211	E105-S209 WeakPolarHBondContact OE1-CB 3.45Å; E105-S209 PolarHBondContact OE1-OG 3.3Å; E105-S209 PolarHBondContact OE2-OG 2.98Å; K205-S209 WeakPolarHBondContact O-CB 3.31Å; K205-S209 PolarHBondContact O-N 3.22Å; K205-S209 PolarHBondContact O-OG 3.43Å; L206-S209 PolarHBondContact O-OG 3.39Å; S209-P211 WeakPolarHBondContact O-CD 3.2Å
210	I	44	Very low	44.5	Very low	15 Å²	15	81 Å²	81	8%	0.077	47%	0.465	C	S	.	.	S	Bend	trans	-79.2	116.6	169.7	-58	176.9	0	0	0	108.2	E93 I98 L206 Q208 S212	E93-I210 HydrophobicContact CB-CD1 4.42Å; E93-I210 HydrophobicContact CG-CD1 4.05Å; I98-I210 HydrophobicContact CD1-CB 4.09Å; I98-I210 HydrophobicContact CD1-CD1 4.06Å; I98-I210 HydrophobicContact CD1-CG1 3.85Å; I98-I210 HydrophobicContact CD1-CG2 3.36Å; I98-I210 HydrophobicContact CG2-CD1 4.23Å; I98-I210 HydrophobicContact CG2-CG1 3.72Å; L206-I210 WeakPolarHBondContact O-CD1 3.16Å; L206-I210 VanDerWaalsContact O-CG1 3.3Å; L206-I210 WeakPolarHBondContact O-CG1 3.44Å; Q208-I210 PolarHBondContact O-N 3.49Å; I210-S212 VanDerWaalsContact C-N 3.33Å; I210-S212 PolarHBondContact O-N 3.4Å
211	P	40.1	Very low	42.1	Very low	117 Å²	117	86.1 Å²	86.1	76%	0.76	49%	0.492	S	S	*	.			trans	-61.1	97.2	172.3	-17.5	30.4	0	0	0	109.2	S209 C213	S209-P211 WeakPolarHBondContact O-CD 3.2Å; P211-C213 PolarHBondContact O-N 2.95Å
212	S	36.5	Very low	40.3	Very low	76 Å²	76	92.8 Å²	92.8	53%	0.531	53%	0.528	S	S	.	.			trans	-73.7	112.3	167.9	-64.9	0	0	0	0	107.2	I210 K214	I210-S212 VanDerWaalsContact C-N 3.33Å; I210-S212 PolarHBondContact O-N 3.4Å; S212-K214 PolarHBondContact O-N 3.34Å
213	C	28.6	Very low	39.3	Very low	128 Å²	128	97.6 Å²	97.6	87%	0.865	56%	0.561	S	S	*	*			trans	-62.2	89	165.9	-70.8	0	0	0	0	108.9	P211	P211-C213 PolarHBondContact O-N 2.95Å
214	K	35.1	Very low	38.4	Very low	166 Å²	166	102.9 Å²	102.9	72%	0.722	59%	0.594	S	S	*	*			trans	-92.5	99.3	165.4	-70.1	-171.5	179.3	-176.5	0	108	S212 T216	S212-K214 PolarHBondContact O-N 3.34Å; K214-T216 PolarHBondContact O-N 2.97Å
215	H	29.5	Very low	37.7	Very low	183 Å²	183	107.4 Å²	107.4	85%	0.847	63%	0.626	S	S	*	*			trans	-59	112.3	158.1	-85.1	-75.6	0	0	0	108.8
216	T	31.8	Very low	36.7	Very low	126 Å²	126	110.6 Å²	110.6	77%	0.773	65%	0.645	S	S	*	*			trans	-137.1	110.5	146.4	34.4	0	0	0	0	107.9	K214	K214-T216 PolarHBondContact O-N 2.97Å
217	T	27.9	Very low	36.2	Very low	132 Å²	132	116.8 Å²	116.8	81%	0.81	68%	0.677	S	S	*	*			trans	-48.4	123.1	166.1	43.3	0	0	0	0	112.3
218	T	33.6	Very low	35.8	Very low	136 Å²	136	121 Å²	121	83%	0.834	69%	0.692	S	S	*	*			trans	-143.7	104.4	143.8	-9.7	0	0	0	0	108.7
219	T	29.9	Very low	34.9	Very low	124 Å²	124	124.7 Å²	124.7	76%	0.761	71%	0.714	S	S	*	*			trans	-43.1	129.7	159.3	39.5	0	0	0	0	111.9
220	T	35.2	Very low	34.6	Very low	121 Å²	121	128.6 Å²	128.6	74%	0.742	74%	0.741	S	S	*	*				176.1	116.6	112	40.9	0	0	0	0	109.7
221	N	32.9	Very low	34.3	Very low	140 Å²	140	133 Å²	133	75%	0.749	77%	0.774	S	S	*	*			trans	31.4	116	139.4	-52.1	-13.2	0	0	0	118.4
222	D	37.5	Very low	34.2	Very low	148 Å²	148	132.3 Å²	132.3	79%	0.791	77%	0.772	S	S	*	*				-176.7	117.6	109.3	-84.6	-21	0	0	0	112.4
223	S	39.1	Very low	34.2	Very low	102 Å²	102	135.3 Å²	135.3	71%	0.713	78%	0.782	S	S	*	*			trans	54.9	92.5	135	-43.3	0	0	0	0	119
224	V	36.1	Very low	34.7	Very low	139 Å²	139	135 Å²	135	84%	0.842	78%	0.776	S	S	*	*				57.8	109.1	91.6	-176.5	0	0	0	0	115.3
225	S	36.4	Very low	35	Very low	117 Å²	117	131.4 Å²	131.4	82%	0.818	77%	0.772	S	S	*	*				-178.1	120	111.7	39.3	0	0	0	0	112.2
226	I	30.1	Very low	35.4	Very low	156 Å²	156	129.7 Å²	129.7	80%	0.8	77%	0.769	S	S	*	*			trans	-86.2	147.1	162.5	-60.1	173.3	0	0	0	106.1
227	I	38.2	Very low	35.8	Very low	136 Å²	136	130.4 Å²	130.4	70%	0.697	77%	0.768	S	S	*	*				162.1	117	129.3	-83	168.5	0	0	0	113.8
228	Q	37	Very low	36.5	Very low	165 Å²	165	130.3 Å²	130.3	77%	0.771	77%	0.767	S	S	*	*			trans	67.6	114.6	134.5	-64.7	168.6	-14.9	0	0	123.3
229	D	29.6	Very low	36.5	Very low	151 Å²	151	130.8 Å²	130.8	81%	0.807	77%	0.765	S	S	*	*				23.7	123.8	121.9	-61.3	-17.6	0	0	0	119.3
230	S	37.6	Very low	37.1	Very low	122 Å²	122	131.4 Å²	131.4	85%	0.853	77%	0.768	S	S	*	*				-179.6	145.6	112	28.4	0	0	0	0	113.1
231	S	37.6	Very low	37.1	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	77%	0.772	S	S	*	*			trans	-52.6	149.4	179.8	49.3	0	0	0	0	117.2
232	S	38	Very low	37.1	Very low	102 Å²	102	132 Å²	132	71%	0.713	77%	0.767	S	S	*	*				157.7	137.3	115.2	50.7	0	0	0	0	113.9
233	D	37.5	Very low	37	Very low	139 Å²	139	132.1 Å²	132.1	74%	0.743	77%	0.768	S	S	*	*			trans	80	102.5	136.8	-62.8	-4.9	0	0	0	123.3
234	T	38.4	Very low	36.7	Very low	121 Å²	121	135.4 Å²	135.4	74%	0.742	77%	0.771	S	S	*	*				63.8	121.6	123.3	49	0	0	0	0	123.5
235	S	40.4	Very low	36.5	Very low	91 Å²	91	134.5 Å²	134.5	64%	0.636	77%	0.766	S	S	*	*				79.2	116.5	129	78.9	0	0	0	0	119.6
236	N	39.8	Very low	36.3	Very low	147 Å²	147	137.7 Å²	137.7	79%	0.786	77%	0.768	S	S	*	*				171.8	142.1	94.6	-87.2	-43	0	0	0	113.5
237	N	39.8	Very low	36.4	Very low	141 Å²	141	141.3 Å²	141.3	75%	0.754	77%	0.772	S	S	*	*			trans	-35.6	149.9	172.1	-69.8	-34.7	0	0	0	117.2
238	T	41.2	Very low	36.5	Very low	130 Å²	130	141.3 Å²	141.3	80%	0.798	77%	0.772	S	S	*	*				-178.4	134.8	99.7	30	0	0	0	0	112.7
239	D	34.9	Very low	36.2	Very low	146 Å²	146	144.4 Å²	144.4	78%	0.781	78%	0.777	S	S	*	*			trans	-6.1	146.6	160	-56.2	-55.1	0	0	0	120.7
240	V	42.2	Very low	36.5	Very low	137 Å²	137	147.3 Å²	147.3	83%	0.83	78%	0.776	S	S	*	*				170.1	110.5	110.5	162.1	0	0	0	0	110.2
241	H	34.7	Very low	36.5	Very low	177 Å²	177	148.8 Å²	148.8	82%	0.819	77%	0.769	S	S	*	*			trans	63.9	140.1	136.7	-122.1	30.9	0	0	0	124.2
242	C	33.1	Very low	36.6	Very low	95 Å²	95	152.9 Å²	152.9	64%	0.642	78%	0.776	S	S	*	*			trans	-78.9	155.6	-171.9	-24	0	0	0	0	112.2
243	N	36.2	Very low	36.5	Very low	151 Å²	151	151.9 Å²	151.9	81%	0.807	77%	0.774	S	S	*	*			trans	169.8	102.8	133.9	-82.1	-22.7	0	0	0	108.8
244	H	33	Very low	36.7	Very low	172 Å²	172	155.8 Å²	155.8	80%	0.796	78%	0.78	S	S	*	*				55.6	116.3	100.1	-99.4	28.4	0	0	0	115.5
245	T	30.8	Very low	37.3	Very low	119 Å²	119	154.3 Å²	154.3	73%	0.73	77%	0.767	S	S	*	*			trans	71.8	101.5	158.8	69.1	0	0	0	0	116.8
246	H	32.2	Very low	37.6	Very low	184 Å²	184	157.4 Å²	157.4	85%	0.852	77%	0.771	S	S	*	*			trans	172.9	142.2	138.4	-96.5	-70.9	0	0	0	109.8
247	R	33.1	Very low	38.3	Very low	233 Å²	233	153.8 Å²	153.8	88%	0.879	76%	0.756	S	S	*	*			trans	87.5	107.9	-179.7	-54.8	173.5	177.4	-176.1	-1.2	112.1
248	L	38.4	Very low	38.8	Very low	135 Å²	135	155.6 Å²	155.6	71%	0.707	75%	0.752	S	S	*	*				-149.9	98.8	61.3	-74.8	145.9	0	0	0	111.2	R250	L248-R250 VanDerWaalsContact C-N 3.28Å; L248-R250 HydrophobicContact CD2-CG 4.36Å; L248-R250 PolarHBondContact O-N 3.25Å; L248-R250 VanDerWaalsContact O-N 3.12Å
249	R	30.7	Very low	39.2	Very low	231 Å²	231	159.7 Å²	159.7	87%	0.872	75%	0.753	S	S	*	*			trans	-67.9	91.8	146.7	-101.4	-179.9	156.2	175.1	-6.2	106.3	H251	R249-H251 PolarHBondContact O-N 3.46Å
250	R	37	Very low	40.1	Very low	212 Å²	212	155.6 Å²	155.6	80%	0.8	73%	0.729	S	S	*	*			trans	-88.1	98.1	162.1	-92.1	-176.4	171.9	150.9	-1.5	107.3	L248	L248-R250 VanDerWaalsContact C-N 3.28Å; L248-R250 HydrophobicContact CD2-CG 4.36Å; L248-R250 PolarHBondContact O-N 3.25Å; L248-R250 VanDerWaalsContact O-N 3.12Å
251	H	37.5	Very low	40.5	Very low	152 Å²	152	152.4 Å²	152.4	70%	0.704	71%	0.71	S	S	*	*			trans	-46	145.7	165.8	-78.5	-93.6	0	0	0	110.4	R249 A253	R249-H251 PolarHBondContact O-N 3.46Å; H251-A253 PolarHBondContact O-N 3.31Å
252	H	39.3	Very low	41.5	Very low	195 Å²	195	147.1 Å²	147.1	90%	0.903	69%	0.69	S	S	*	*			trans	-56.3	87.5	165.7	-69.1	45.6	0	0	0	108	Y254	H252-Y254 PolarHBondContact O-N 3.39Å
253	A	37.1	Very low	42.7	Very low	81 Å²	81	145 Å²	145	67%	0.669	67%	0.674	S	S	*	*			trans	-75	114.3	174.9	0	0	0	0	0	106.2	H251 N255	H251-A253 PolarHBondContact O-N 3.31Å; A253-N255 PolarHBondContact O-N 2.91Å; A253-N255 VanDerWaalsContact O-N 3.1Å
254	Y	40.3	Very low	43.9	Very low	221 Å²	221	139 Å²	139	87%	0.867	65%	0.647	S	S	*	*			trans	-39.5	120.6	159.8	-95.2	-99.3	0	0	0	108.6	H252 H256	H252-Y254 PolarHBondContact O-N 3.39Å; Y254-H256 PolarHBondContact O-N 3.37Å
255	N	50.9	Low	46.3	Very low	90 Å²	90	132.4 Å²	132.4	48%	0.481	62%	0.621	S	S	.	*			trans	-61.3	103.2	-180	-92.9	-33.8	0	0	0	108.8	A253	A253-N255 PolarHBondContact O-N 2.91Å; A253-N255 VanDerWaalsContact O-N 3.1Å
256	H	47.6	Very low	49.1	Very low	156 Å²	156	130.7 Å²	130.7	72%	0.722	61%	0.612	S	S	*	*			trans	-62.2	133.6	175.8	-85.8	-66.7	0	0	0	110.2	Y254 R258	Y254-H256 PolarHBondContact O-N 3.37Å; H256-R258 WeakPolarHBondContact O-CG 3.37Å; H256-R258 PolarHBondContact O-N 3.41Å
257	P	55.3	Low	52.1	Low	71 Å²	71	126.5 Å²	126.5	46%	0.461	59%	0.589	S	S	.	*			trans	-53.5	133.3	176.6	-26.8	34	0	0	0	111.7	P278 Y279	P257-P278 HydrophobicContact CB-CB 3.77Å; P257-Y279 WeakPolarHBondContact CA-O 3.42Å
258	R	48.9	Very low	55.1	Low	180 Å²	180	116.2 Å²	116.2	68%	0.679	55%	0.55	S	S	*	*	B	Isolated β-bridge	trans	-121.2	154.2	178.7	-61.3	-164.1	-177.5	-142.5	2.3	110.5	H256 H260 P278 Y279	H256-R258 WeakPolarHBondContact O-CG 3.37Å; H256-R258 PolarHBondContact O-N 3.41Å; R258-H260 PolarHBondContact O-N 3.03Å; R258-P278 WeakPolarHBondContact O-CA 3.43Å; R258-Y279 PolarHBondContact N-O 3.34Å; R258-Y279 PolarHBondContact O-N 2.89Å
259	R	49.1	Very low	57.7	Low	216 Å²	216	110.5 Å²	110.5	82%	0.815	52%	0.52	S	S	*	.			trans	-74.6	121.7	168.8	-69.6	-174	176.9	-175.5	-1.9	108.8	P278	R259-P278 HydrophobicContact CG-CG 4.15Å
260	H	53.7	Low	60.8	Low	59 Å²	59	99.5 Å²	99.5	27%	0.273	48%	0.479	S	S	.	.			trans	-126.9	153.3	174.2	-69.3	-68.7	0	0	0	107.9	R258 Y279	R258-H260 PolarHBondContact O-N 3.03Å; H260-Y279 HydrophobicContact CB-CE1 3.69Å; H260-Y279 HydrophobicContact CB-CE2 4.07Å; H260-Y279 WeakPolarHBondContact CB-OH 3.47Å; H260-Y279 AromaticContact CD2-CE2 3.68Å; H260-Y279 AromaticContact CD2-CZ 3.88Å; H260-Y279 AromaticContact CG-CZ 3.96Å
261	T	51.8	Low	63.5	Low	71 Å²	71	90 Å²	90	44%	0.436	45%	0.445	S	S	.	.			trans	-64.1	138.3	175.8	48.8	0	0	0	0	110.9	Q208 V263	Q208-T261 PolarHBondContact NE2-OG1 3.29Å; T261-V263 PolarHBondContact O-N 2.93Å
262	V	55	Low	66.2	Low	66 Å²	66	83.9 Å²	83.9	40%	0.4	42%	0.416	S	S	.	.			trans	-68.7	114.9	176.6	-176.8	0	0	0	0	109.4	M269 M273 D276	V262-M269 HydrophobicContact CG1-CE 3.36Å; V262-M273 WeakPolarHBondContact CG2-O 3.36Å; V262-D276 HydrophobicContact CG2-CB 4.24Å; V262-D276 WeakPolarHBondContact CG2-OD1 3.36Å
263	V	58.7	Low	68.6	Low	50 Å²	50	74.6 Å²	74.6	30%	0.303	37%	0.373	S	S	.	.			trans	-143.4	145.9	174.2	-67.2	0	0	0	0	108	R181 T261 M273	R181-V263 HydrophobicContact CB-CG2 4.37Å; T261-V263 PolarHBondContact O-N 2.93Å; V263-M273 VanDerWaalsContact O-CE 3.31Å; V263-M273 WeakPolarHBondContact O-CE 3.49Å
264	G	62.4	Low	71.1	Confident	24 Å²	24	74.1 Å²	74.1	25%	0.247	36%	0.359	C	S	.	.	S	Bend	trans	141.5	168.3	176.1	0	0	0	0	0	113.5	D182	D182-G264 WeakPolarHBondContact OD1-CA 3.27Å
265	S	83	Confident	73.5	Confident	34 Å²	34	66.2 Å²	66.2	24%	0.238	34%	0.339	C	S	.	.			trans	-77.6	117.8	175.2	-59.4	0	0	0	0	109.7	D182 Y267 W268 M269	D182-S265 WeakPolarHBondContact OD1-CB 3.4Å; D182-S265 PolarHBondContact OD1-N 3.35Å; D182-S265 PolarHBondContact OD1-OG 2.83Å; S265-Y267 PolarHBondContact O-N 3.34Å; S265-W268 PolarHBondContact O-N 2.85Å; S265-M269 PolarHBondContact O-N 3.46Å
266	P	90	Very high	75.3	Confident	83 Å²	83	66.9 Å²	66.9	54%	0.539	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.2	-161.8	19.9	-33.3	0	0	0	114.7	W268	P266-W268 VanDerWaalsContact C-N 3.33Å; P266-W268 PolarHBondContact O-N 2.72Å
267	Y	94.1	Very high	77.2	Confident	97 Å²	97	64.6 Å²	64.6	38%	0.38	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-19	-178.7	-54.9	-34.2	0	0	0	114.1	S265 D302 P303 R308	S265-Y267 PolarHBondContact O-N 3.34Å; Y267-D302 HydrophobicContact CD2-CB 4.38Å; Y267-D302 HydrophobicContact CE2-CB 4.02Å; Y267-P303 HydrophobicContact CE1-CG 4.28Å; Y267-R308 PolarHBondContact O-NH1 3.19Å; Y267-R308 VanDerWaalsContact O-NH1 3.16Å; Y267-R308 PolarHBondContact O-NH2 2.89Å
268	W	95.9	Very high	78.8	Confident	16 Å²	16	63.9 Å²	63.9	6%	0.061	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-13.5	176.5	-67.7	-98.9	0	0	0	112.7	T184 S265 P266 A270 S287 T290 Q294 A301	T184-W268 HydrophobicContact CG2-CB 4.15Å; T184-W268 HydrophobicContact CG2-CD2 3.64Å; T184-W268 HydrophobicContact CG2-CE3 3.77Å; T184-W268 HydrophobicContact CG2-CG 3.82Å; T184-W268 HydrophobicContact CG2-CZ3 4.41Å; S265-W268 PolarHBondContact O-N 2.85Å; P266-W268 VanDerWaalsContact C-N 3.33Å; P266-W268 PolarHBondContact O-N 2.72Å; W268-A270 PolarHBondContact O-N 3.41Å; W268-S287 WeakPolarHBondContact O-CA 3.45Å; W268-S287 PolarHBondContact O-OG 3.36Å; W268-T290 HydrophobicContact CG-CG2 4.03Å; W268-Q294 VanDerWaalsContact CE2-OE1 3.29Å; W268-Q294 VanDerWaalsContact CZ2-OE1 3.26Å; W268-A301 HydrophobicContact CD2-CB 4.13Å; W268-A301 HydrophobicContact CE3-CB 4.35Å; W268-A301 HydrophobicContact CH2-CB 3.61Å; W268-A301 HydrophobicContact CZ2-CB 3.33Å; W268-A301 HydrophobicContact CZ3-CB 4.11Å
269	M	93.7	Very high	80.8	Confident	15 Å²	15	55.5 Å²	55.5	7%	0.074	30%	0.296	C	S	.	.	S	Bend	trans	-61.5	136.1	-178.7	-72.1	173.1	61	0	0	111.7	V262 S265 M273 I274 Y286	V262-M269 HydrophobicContact CG1-CE 3.36Å; S265-M269 PolarHBondContact O-N 3.46Å; M269-M273 HydrophobicContact CE-CB 4.15Å; M269-I274 HydrophobicContact CB-CD1 4.12Å; M269-I274 HydrophobicContact CB-CG1 3.8Å; M269-I274 HydrophobicContact CE-CG1 3.97Å; M269-Y286 WeakPolarHBondContact O-CE1 3.42Å
270	A	95.3	Very high	82.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.268	C	S	.	.			trans	-66.2	147.6	172.9	0	0	0	0	0	110.9	W268 E272 M273 I274 V283 Y286	W268-A270 PolarHBondContact O-N 3.41Å; A270-E272 VanDerWaalsContact C-N 3.26Å; A270-E272 WeakPolarHBondContact CB-OE2 3.16Å; A270-E272 PolarHBondContact O-N 2.89Å; A270-M273 HydrophobicContact CB-CG 4.37Å; A270-M273 WeakPolarHBondContact O-CB 3.4Å; A270-M273 PolarHBondContact O-N 3.07Å; A270-I274 PolarHBondContact O-N 3.43Å; A270-I274 VanDerWaalsContact O-N 3.12Å; A270-V283 HydrophobicContact CB-CB 3.85Å; A270-V283 HydrophobicContact CB-CG1 3.9Å; A270-Y286 HydrophobicContact CB-CD1 4.11Å; A270-Y286 HydrophobicContact CB-CG 3.96Å
271	P	94.7	Very high	84.7	Confident	13 Å²	13	46.3 Å²	46.3	8%	0.084	27%	0.265	C	S	.	.	H	α-helix	trans	-57.9	-36.8	-176.9	24.9	-36.8	0	0	0	112.9	M273 I274 A275 L344	P271-M273 VanDerWaalsContact C-N 3.32Å; P271-M273 PolarHBondContact O-N 2.88Å; P271-I274 PolarHBondContact O-N 3.23Å; P271-A275 WeakPolarHBondContact O-CB 3.2Å; P271-A275 PolarHBondContact O-N 3.36Å; P271-L344 HydrophobicContact CB-CD1 3.98Å; P271-L344 HydrophobicContact CG-CD1 3.72Å
272	E	93.3	Very high	86.8	Confident	23 Å²	23	43.5 Å²	43.5	11%	0.107	25%	0.248	C	C	.	.	H	α-helix	trans	-68.2	-28.6	176.5	67.9	-86.1	-159.1	0	0	113.3	A270 D276 Q277 V283 R349	A270-E272 VanDerWaalsContact C-N 3.26Å; A270-E272 WeakPolarHBondContact CB-OE2 3.16Å; A270-E272 PolarHBondContact O-N 2.89Å; E272-D276 PolarHBondContact O-N 3.47Å; E272-Q277 HydrophobicContact CB-CB 4.22Å; E272-Q277 WeakPolarHBondContact O-CB 3.37Å; E272-Q277 PolarHBondContact O-N 3.26Å; E272-V283 HydrophobicContact CG-CG1 4.17Å; E272-V283 WeakPolarHBondContact OE1-CG1 3.43Å; E272-R349 IonicContact OE1-CZ 2.87Å; E272-R349 IonicContact OE1-NH1 3.66Å; E272-R349 PolarHBondContact OE1-NH1 3.18Å; E272-R349 IonicContact OE1-NH2 2.89Å; E272-R349 PolarHBondContact OE1-NH2 3.42Å; E272-R349 IonicContact OE2-CZ 3.66Å; E272-R349 IonicContact OE2-NH1 2.66Å; E272-R349 IonicContact OE2-NH2 2.64Å; E272-R349 PolarHBondContact OE2-NH2 2.85Å
273	M	91	Very high	88.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-71.5	-41.5	171.4	-70.1	-179.1	63.7	0	0	111.1	R181 V262 V263 M269 A270 P271 A275 D276 Y279 V283	R181-M273 HydrophobicContact CB-CE 4.3Å; V262-M273 WeakPolarHBondContact CG2-O 3.36Å; V263-M273 VanDerWaalsContact O-CE 3.31Å; V263-M273 WeakPolarHBondContact O-CE 3.49Å; M269-M273 HydrophobicContact CE-CB 4.15Å; A270-M273 HydrophobicContact CB-CG 4.37Å; A270-M273 WeakPolarHBondContact O-CB 3.4Å; A270-M273 PolarHBondContact O-N 3.07Å; P271-M273 VanDerWaalsContact C-N 3.32Å; P271-M273 PolarHBondContact O-N 2.88Å; M273-A275 VanDerWaalsContact C-N 3.28Å; M273-A275 PolarHBondContact O-N 3.27Å; M273-D276 PolarHBondContact O-N 2.99Å; M273-Y279 HydrophobicContact CG-CD1 3.83Å; M273-Y279 HydrophobicContact CG-CD2 4.32Å; M273-Y279 HydrophobicContact CG-CE1 3.94Å; M273-Y279 HydrophobicContact CG-CE2 4.43Å; M273-Y279 HydrophobicContact CG-CG 4.01Å; M273-V283 HydrophobicContact CG-CB 3.99Å; M273-V283 HydrophobicContact CG-CG1 3.57Å; M273-V283 HydrophobicContact CG-CG2 4.48Å; M273-V283 HydrophobicContact SD-CB 3.47Å; M273-V283 WeakPolarHBondContact SD-CB 3.38Å; M273-V283 HydrophobicContact SD-CG1 3.79Å; M273-V283 HydrophobicContact SD-CG2 3.65Å
274	I	89.7	Confident	90.6	Very high	71 Å²	71	38 Å²	38	36%	0.364	22%	0.215	S	C	.	.	H	α-helix	trans	-63.6	-39	178	-62.1	170	0	0	0	110.2	M269 A270 P271 D276 L313	M269-I274 HydrophobicContact CB-CD1 4.12Å; M269-I274 HydrophobicContact CB-CG1 3.8Å; M269-I274 HydrophobicContact CE-CG1 3.97Å; A270-I274 PolarHBondContact O-N 3.43Å; A270-I274 VanDerWaalsContact O-N 3.12Å; P271-I274 PolarHBondContact O-N 3.23Å; I274-D276 PolarHBondContact O-N 3.17Å; I274-L313 HydrophobicContact CG2-CD1 4.13Å
275	A	90.4	Very high	92.3	Very high	56 Å²	56	37 Å²	37	46%	0.463	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	8.6	177.9	0	0	0	0	0	114.5	P271 M273 Q277	P271-A275 WeakPolarHBondContact O-CB 3.2Å; P271-A275 PolarHBondContact O-N 3.36Å; M273-A275 VanDerWaalsContact C-N 3.28Å; M273-A275 PolarHBondContact O-N 3.27Å; A275-Q277 HydrophobicContact CB-CG 3.97Å; A275-Q277 PolarHBondContact O-N 3.26Å; A275-Q277 VanDerWaalsContact O-N 3.12Å; A275-Q277 PolarHBondContact O-NE2 3.17Å
276	D	87.1	Confident	93	Very high	104 Å²	104	35.4 Å²	35.4	56%	0.556	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	35.3	-177.6	-163.4	34.7	0	0	0	113.3	V262 E272 M273 I274	V262-D276 HydrophobicContact CG2-CB 4.24Å; V262-D276 WeakPolarHBondContact CG2-OD1 3.36Å; E272-D276 PolarHBondContact O-N 3.47Å; M273-D276 PolarHBondContact O-N 2.99Å; I274-D276 PolarHBondContact O-N 3.17Å
277	Q	89	Confident	93.4	Very high	108 Å²	108	31.6 Å²	31.6	51%	0.505	17%	0.168	S	C	.	.			trans	-86.1	155.8	176.4	-62.5	-54.7	-55.6	0	0	110.5	E272 A275 Y279	E272-Q277 HydrophobicContact CB-CB 4.22Å; E272-Q277 WeakPolarHBondContact O-CB 3.37Å; E272-Q277 PolarHBondContact O-N 3.26Å; A275-Q277 HydrophobicContact CB-CG 3.97Å; A275-Q277 PolarHBondContact O-N 3.26Å; A275-Q277 VanDerWaalsContact O-N 3.12Å; A275-Q277 PolarHBondContact O-NE2 3.17Å; Q277-Y279 WeakPolarHBondContact O-CD1 3.32Å; Q277-Y279 PolarHBondContact O-N 2.93Å
278	P	88.8	Confident	93.6	Very high	55 Å²	55	27 Å²	27	36%	0.357	15%	0.15	S	C	.	.			trans	-55.1	132.7	169.3	-22.3	33.5	0	0	0	110.4	P257 R258 R259	P257-P278 HydrophobicContact CB-CB 3.77Å; R258-P278 WeakPolarHBondContact O-CA 3.43Å; R259-P278 HydrophobicContact CG-CG 4.15Å
279	Y	90.6	Very high	93.7	Very high	5 Å²	5	26.2 Å²	26.2	2%	0.02	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-134.4	163.4	-178	65.2	-100.1	0	0	0	111.6	R181 P257 R258 H260 M273 Q277 V283	R181-Y279 VanDerWaalsContact CD-OH 3.26Å; R181-Y279 WeakPolarHBondContact CD-OH 3.37Å; R181-Y279 HydrophobicContact CG-CE2 4.33Å; P257-Y279 WeakPolarHBondContact CA-O 3.42Å; R258-Y279 PolarHBondContact N-O 3.34Å; R258-Y279 PolarHBondContact O-N 2.89Å; H260-Y279 HydrophobicContact CB-CE1 3.69Å; H260-Y279 HydrophobicContact CB-CE2 4.07Å; H260-Y279 WeakPolarHBondContact CB-OH 3.47Å; H260-Y279 AromaticContact CD2-CE2 3.68Å; H260-Y279 AromaticContact CD2-CZ 3.88Å; H260-Y279 AromaticContact CG-CZ 3.96Å; M273-Y279 HydrophobicContact CG-CD1 3.83Å; M273-Y279 HydrophobicContact CG-CD2 4.32Å; M273-Y279 HydrophobicContact CG-CE1 3.94Å; M273-Y279 HydrophobicContact CG-CE2 4.43Å; M273-Y279 HydrophobicContact CG-CG 4.01Å; Q277-Y279 WeakPolarHBondContact O-CD1 3.32Å; Q277-Y279 PolarHBondContact O-N 2.93Å; Y279-V283 HydrophobicContact CD2-CB 4.48Å; Y279-V283 HydrophobicContact CD2-CG1 3.69Å; Y279-V283 HydrophobicContact CD2-CG2 3.96Å; Y279-V283 HydrophobicContact CE2-CG2 4.19Å; Y279-V283 HydrophobicContact CG-CG1 3.83Å
280	D	90.8	Very high	94	Very high	40 Å²	40	25.5 Å²	25.5	21%	0.214	14%	0.144	C	C	.	.			trans	-121.8	-162.3	175.2	65.3	18	0	0	0	110.3	S282 V283	D280-S282 PolarHBondContact O-N 2.84Å; D280-S282 WeakPolarHBondContact OD1-CB 3.32Å; D280-S282 PolarHBondContact OD1-N 3.28Å; D280-S282 PolarHBondContact OD1-OG 2.95Å; D280-V283 WeakPolarHBondContact O-CG2 3.44Å
281	N	92.9	Very high	94.1	Very high	42 Å²	42	25.5 Å²	25.5	23%	0.225	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.6	-178	67.9	-33.3	0	0	0	114.1	H174 I179 V283 D284	H174-N281 PolarHBondContact CE1-O 3.41Å; H174-N281 PolarHBondContact ND1-ND2 3.42Å; I179-N281 HydrophobicContact CD1-CB 4.4Å; I179-N281 HydrophobicContact CG1-CB 4.02Å; N281-V283 PolarHBondContact O-N 3.28Å; N281-V283 VanDerWaalsContact O-N 3.17Å; N281-D284 PolarHBondContact O-N 2.75Å
282	S	96.3	Very high	94.3	Very high	11 Å²	11	24.9 Å²	24.9	8%	0.077	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-13.9	178.9	67.8	0	0	0	0	114.2	D280 D284 V285 Y286 P346 R349	D280-S282 PolarHBondContact O-N 2.84Å; D280-S282 WeakPolarHBondContact OD1-CB 3.32Å; D280-S282 PolarHBondContact OD1-N 3.28Å; D280-S282 PolarHBondContact OD1-OG 2.95Å; S282-D284 PolarHBondContact O-N 2.99Å; S282-V285 WeakPolarHBondContact O-CB 3.44Å; S282-V285 PolarHBondContact O-N 3.37Å; S282-V285 VanDerWaalsContact O-N 3.1Å; S282-Y286 PolarHBondContact O-N 3.18Å; S282-P346 WeakPolarHBondContact OG-CB 3.47Å; S282-R349 PolarHBondContact O-NH1 2.76Å; S282-R349 VanDerWaalsContact O-NH1 3.12Å
283	V	95.5	Very high	94.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.8	-32.9	173.1	-59.1	0	0	0	0	112.3	I179 A270 E272 M273 Y279 D280 N281 V285 Y286 S287	I179-V283 HydrophobicContact CG2-CG2 3.88Å; A270-V283 HydrophobicContact CB-CB 3.85Å; A270-V283 HydrophobicContact CB-CG1 3.9Å; E272-V283 HydrophobicContact CG-CG1 4.17Å; E272-V283 WeakPolarHBondContact OE1-CG1 3.43Å; M273-V283 HydrophobicContact CG-CB 3.99Å; M273-V283 HydrophobicContact CG-CG1 3.57Å; M273-V283 HydrophobicContact CG-CG2 4.48Å; M273-V283 HydrophobicContact SD-CB 3.47Å; M273-V283 WeakPolarHBondContact SD-CB 3.38Å; M273-V283 HydrophobicContact SD-CG1 3.79Å; M273-V283 HydrophobicContact SD-CG2 3.65Å; Y279-V283 HydrophobicContact CD2-CB 4.48Å; Y279-V283 HydrophobicContact CD2-CG1 3.69Å; Y279-V283 HydrophobicContact CD2-CG2 3.96Å; Y279-V283 HydrophobicContact CE2-CG2 4.19Å; Y279-V283 HydrophobicContact CG-CG1 3.83Å; D280-V283 WeakPolarHBondContact O-CG2 3.44Å; N281-V283 PolarHBondContact O-N 3.28Å; N281-V283 VanDerWaalsContact O-N 3.17Å; V283-V285 VanDerWaalsContact C-N 3.27Å; V283-V285 PolarHBondContact O-N 3.42Å; V283-Y286 PolarHBondContact O-N 3.4Å; V283-S287 PolarHBondContact O-N 2.78Å; V283-S287 VanDerWaalsContact O-N 3.09Å; V283-S287 PolarHBondContact O-OG 3.17Å
284	D	97.2	Very high	94.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-70	-29.6	174.8	-67.8	-26.2	0	0	0	110.7	M170 H174 I179 H180 R181 N281 S282 S287 F288 F352	M170-D284 HydrophobicContact CE-CB 3.55Å; M170-D284 VanDerWaalsContact CE-OD2 3.28Å; M170-D284 WeakPolarHBondContact CE-OD2 3.41Å; H174-D284 IonicContact CD2-OD2 3.82Å; H174-D284 IonicContact CE1-OD2 3.82Å; H174-D284 IonicContact NE2-OD2 2.66Å; H174-D284 PolarHBondContact NE2-OD2 3.48Å; I179-D284 WeakPolarHBondContact CA-OD2 3.38Å; I179-D284 WeakPolarHBondContact CG2-OD2 3.26Å; H180-D284 WeakPolarHBondContact CB-OD1 3.37Å; H180-D284 PolarHBondContact N-OD1 2.93Å; H180-D284 PolarHBondContact N-OD2 3.1Å; R181-D284 PolarHBondContact N-OD1 3.38Å; N281-D284 PolarHBondContact O-N 2.75Å; S282-D284 PolarHBondContact O-N 2.99Å; D284-S287 WeakPolarHBondContact O-CB 3.25Å; D284-S287 PolarHBondContact O-N 3.02Å; D284-F288 WeakPolarHBondContact O-CB 3.36Å; D284-F288 PolarHBondContact O-N 3.12Å; D284-F352 HydrophobicContact CB-CE2 3.92Å; D284-F352 HydrophobicContact CB-CZ 4.19Å
285	V	98.5	Very high	95.3	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-69.2	-39	175.7	-176.3	0	0	0	0	110.6	S282 V283 S287 F288 G289 C341 R349 P350 F352	S282-V285 WeakPolarHBondContact O-CB 3.44Å; S282-V285 PolarHBondContact O-N 3.37Å; S282-V285 VanDerWaalsContact O-N 3.1Å; V283-V285 VanDerWaalsContact C-N 3.27Å; V283-V285 PolarHBondContact O-N 3.42Å; V285-S287 VanDerWaalsContact C-N 3.34Å; V285-F288 WeakPolarHBondContact O-CB 3.42Å; V285-F288 PolarHBondContact O-N 3.25Å; V285-G289 PolarHBondContact O-N 2.53Å; V285-C341 HydrophobicContact CG1-CB 4.07Å; V285-R349 HydrophobicContact CB-CB 4.25Å; V285-R349 HydrophobicContact CG1-CB 3.88Å; V285-P350 VanDerWaalsContact CG1-O 3.25Å; V285-P350 WeakPolarHBondContact CG1-O 3.4Å; V285-P350 WeakPolarHBondContact CG2-O 3.45Å; V285-F352 HydrophobicContact CG2-CD2 4.13Å; V285-F352 HydrophobicContact CG2-CE2 3.83Å; V285-F352 HydrophobicContact CG2-CZ 4.21Å
286	Y	98.4	Very high	95.6	Very high	1 Å²	1	18 Å²	18	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-61.8	-44.4	172.1	-175.2	-83.2	0	0	0	111.7	M269 A270 S282 V283 F288 G289 T290 C314 I315 C341 V342	M269-Y286 WeakPolarHBondContact O-CE1 3.42Å; A270-Y286 HydrophobicContact CB-CD1 4.11Å; A270-Y286 HydrophobicContact CB-CG 3.96Å; S282-Y286 PolarHBondContact O-N 3.18Å; V283-Y286 PolarHBondContact O-N 3.4Å; Y286-F288 VanDerWaalsContact C-N 3.3Å; Y286-F288 PolarHBondContact O-N 2.89Å; Y286-G289 PolarHBondContact O-N 2.99Å; Y286-T290 PolarHBondContact O-N 3.45Å; Y286-T290 PolarHBondContact O-OG1 3.33Å; Y286-C314 VanDerWaalsContact OH-CA 3.31Å; Y286-C314 WeakPolarHBondContact OH-CA 3.34Å; Y286-I315 PolarHBondContact OH-N 3.09Å; Y286-I315 VanDerWaalsContact OH-N 3.09Å; Y286-C341 WeakPolarHBondContact CA-O 3.15Å; Y286-V342 HydrophobicContact CD2-CB 4.42Å; Y286-V342 HydrophobicContact CE2-CB 4.09Å; Y286-V342 WeakPolarHBondContact CE2-O 3.23Å
287	S	98.1	Very high	96.1	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	7%	0.071	C	C	.	.	H	α-helix	trans	-59.2	-43.1	175.3	-55.7	0	0	0	0	111.2	L183 W268 V283 D284 V285 T290 I291	L183-S287 WeakPolarHBondContact O-CB 3.45Å; W268-S287 WeakPolarHBondContact O-CA 3.45Å; W268-S287 PolarHBondContact O-OG 3.36Å; V283-S287 PolarHBondContact O-N 2.78Å; V283-S287 VanDerWaalsContact O-N 3.09Å; V283-S287 PolarHBondContact O-OG 3.17Å; D284-S287 WeakPolarHBondContact O-CB 3.25Å; D284-S287 PolarHBondContact O-N 3.02Å; V285-S287 VanDerWaalsContact C-N 3.34Å; S287-T290 WeakPolarHBondContact O-CB 3.31Å; S287-T290 PolarHBondContact O-N 3.22Å; S287-I291 WeakPolarHBondContact O-CG1 3.06Å; S287-I291 PolarHBondContact O-N 3.34Å
288	F	98.8	Very high	96.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.1	-43.9	173.6	173.7	-106.3	0	0	0	112.5	G163 I166 A167 L183 D284 V285 Y286 T290 I291 M292 M337 F352 C355 L359	G163-F288 WeakPolarHBondContact O-CE2 3.4Å; I166-F288 HydrophobicContact CB-CD2 4.37Å; I166-F288 HydrophobicContact CB-CE2 4.16Å; I166-F288 HydrophobicContact CG2-CD2 3.79Å; I166-F288 HydrophobicContact CG2-CE2 4.09Å; A167-F288 HydrophobicContact CB-CE2 4.22Å; A167-F288 HydrophobicContact CB-CZ 4.09Å; L183-F288 HydrophobicContact CD2-CB 4.06Å; D284-F288 WeakPolarHBondContact O-CB 3.36Å; D284-F288 PolarHBondContact O-N 3.12Å; V285-F288 WeakPolarHBondContact O-CB 3.42Å; V285-F288 PolarHBondContact O-N 3.25Å; Y286-F288 VanDerWaalsContact C-N 3.3Å; Y286-F288 PolarHBondContact O-N 2.89Å; F288-T290 VanDerWaalsContact C-N 3.27Å; F288-T290 PolarHBondContact O-N 2.82Å; F288-I291 WeakPolarHBondContact O-CA 3.42Å; F288-I291 WeakPolarHBondContact O-CB 3.47Å; F288-I291 PolarHBondContact O-N 3.26Å; F288-I291 VanDerWaalsContact O-N 3.07Å; F288-M292 HydrophobicContact CD1-CG 4.25Å; F288-M292 HydrophobicContact CE1-CG 3.79Å; F288-M292 HydrophobicContact CE1-SD 4.31Å; F288-M292 HydrophobicContact CE2-CG 4.08Å; F288-M292 HydrophobicContact CE2-SD 3.79Å; F288-M292 HydrophobicContact CZ-CG 3.7Å; F288-M292 HydrophobicContact CZ-SD 3.6Å; F288-M292 VanDerWaalsContact CZ-SD 3.6Å; F288-M292 WeakPolarHBondContact O-CG 3.34Å; F288-M292 PolarHBondContact O-N 2.99Å; F288-M337 HydrophobicContact CE1-CE 4.05Å; F288-M337 HydrophobicContact CZ-CE 4.43Å; F288-F352 HydrophobicContact CB-CE1 3.63Å; F288-F352 HydrophobicContact CB-CZ 3.85Å; F288-F352 HydrophobicContact CD1-CE1 4.01Å; F288-F352 HydrophobicContact CD2-CE1 4.02Å; F288-F352 AromaticContact CG-CE1 3.62Å; F288-F352 HydrophobicContact CG-CE1 3.62Å; F288-F352 HydrophobicContact CG-CZ 4.34Å; F288-C355 HydrophobicContact CE1-CB 4.17Å; F288-L359 HydrophobicContact CZ-CD1 4.11Å
289	G	98.7	Very high	96.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-57.1	-41.2	173.9	0	0	0	0	0	112.4	V285 Y286 I291 M292 C293 C341 V342	V285-G289 PolarHBondContact O-N 2.53Å; Y286-G289 PolarHBondContact O-N 2.99Å; G289-I291 PolarHBondContact O-N 3.07Å; G289-M292 PolarHBondContact O-N 3.22Å; G289-C293 PolarHBondContact O-N 2.92Å; G289-C293 PolarHBondContact O-SG 3.32Å; G289-C293 VanDerWaalsContact O-SG 3.36Å; G289-C341 VanDerWaalsContact CA-CB 3.49Å; G289-V342 VanDerWaalsContact C-CG1 3.47Å
290	T	98.5	Very high	96.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61	-43.6	173.7	-57.2	0	0	0	0	111.5	W268 Y286 S287 F288 M292 C293 Q294 A301 L306 I315	W268-T290 HydrophobicContact CG-CG2 4.03Å; Y286-T290 PolarHBondContact O-N 3.45Å; Y286-T290 PolarHBondContact O-OG1 3.33Å; S287-T290 WeakPolarHBondContact O-CB 3.31Å; S287-T290 PolarHBondContact O-N 3.22Å; F288-T290 VanDerWaalsContact C-N 3.27Å; F288-T290 PolarHBondContact O-N 2.82Å; T290-M292 VanDerWaalsContact C-N 3.34Å; T290-M292 PolarHBondContact O-N 2.83Å; T290-C293 WeakPolarHBondContact O-CB 3.45Å; T290-C293 PolarHBondContact O-N 3.07Å; T290-Q294 WeakPolarHBondContact O-CG 3.46Å; T290-Q294 PolarHBondContact O-N 3.03Å; T290-A301 HydrophobicContact CG2-CB 4.09Å; T290-L306 HydrophobicContact CG2-CD1 4.03Å; T290-I315 HydrophobicContact CG2-CD1 3.88Å; T290-I315 WeakPolarHBondContact OG1-CD1 3.13Å
291	I	98.7	Very high	97.1	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60	-44.5	174.1	-66.2	170.9	0	0	0	110.7	I166 L183 T185 S287 F288 G289 C293 Q294 L295	I166-I291 HydrophobicContact CD1-CG2 4.02Å; L183-I291 HydrophobicContact CD1-CD1 4.29Å; L183-I291 HydrophobicContact CD2-CD1 4.34Å; L183-I291 HydrophobicContact CG-CD1 3.81Å; T185-I291 HydrophobicContact CG2-CB 4.43Å; T185-I291 HydrophobicContact CG2-CG1 4.14Å; T185-I291 HydrophobicContact CG2-CG2 3.96Å; S287-I291 WeakPolarHBondContact O-CG1 3.06Å; S287-I291 PolarHBondContact O-N 3.34Å; F288-I291 WeakPolarHBondContact O-CA 3.42Å; F288-I291 WeakPolarHBondContact O-CB 3.47Å; F288-I291 PolarHBondContact O-N 3.26Å; F288-I291 VanDerWaalsContact O-N 3.07Å; G289-I291 PolarHBondContact O-N 3.07Å; I291-C293 VanDerWaalsContact C-N 3.34Å; I291-C293 PolarHBondContact O-N 3.46Å; I291-Q294 WeakPolarHBondContact O-CB 3.38Å; I291-Q294 PolarHBondContact O-N 2.92Å; I291-Q294 VanDerWaalsContact O-N 3.15Å; I291-L295 HydrophobicContact CG2-CD1 4.03Å; I291-L295 HydrophobicContact CG2-CG 4.28Å; I291-L295 WeakPolarHBondContact O-CG 3.46Å; I291-L295 PolarHBondContact O-N 3.46Å
292	M	98.7	Very high	97.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.1	-41.6	177.8	-64.8	-51.3	-63.8	0	0	111.8	I159 F288 G289 T290 Q294 L295 I296 L334 M337 T338 L359	I159-M292 HydrophobicContact CG2-CE 4.33Å; F288-M292 HydrophobicContact CD1-CG 4.25Å; F288-M292 HydrophobicContact CE1-CG 3.79Å; F288-M292 HydrophobicContact CE1-SD 4.31Å; F288-M292 HydrophobicContact CE2-CG 4.08Å; F288-M292 HydrophobicContact CE2-SD 3.79Å; F288-M292 HydrophobicContact CZ-CG 3.7Å; F288-M292 HydrophobicContact CZ-SD 3.6Å; F288-M292 VanDerWaalsContact CZ-SD 3.6Å; F288-M292 WeakPolarHBondContact O-CG 3.34Å; F288-M292 PolarHBondContact O-N 2.99Å; G289-M292 PolarHBondContact O-N 3.22Å; T290-M292 VanDerWaalsContact C-N 3.34Å; T290-M292 PolarHBondContact O-N 2.83Å; M292-Q294 PolarHBondContact O-N 3.08Å; M292-L295 PolarHBondContact O-N 3.07Å; M292-L295 HydrophobicContact SD-CD1 4.13Å; M292-I296 VanDerWaalsContact O-CG1 3.26Å; M292-I296 WeakPolarHBondContact O-CG1 3.42Å; M292-I296 PolarHBondContact O-N 2.84Å; M292-L334 HydrophobicContact CE-CD1 3.52Å; M292-M337 HydrophobicContact CE-CE 4.25Å; M292-M337 HydrophobicContact CG-CE 4.26Å; M292-T338 HydrophobicContact CB-CG2 3.79Å; M292-L359 HydrophobicContact CE-CD2 4.22Å
293	C	98.2	Very high	96.9	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.014	5%	0.053	C	C	.	.	H	α-helix	trans	-58.5	-45.4	172.5	-66.9	0	0	0	0	112.2	G289 T290 I291 L295 I296 L297 L306 L320 T338	G289-C293 PolarHBondContact O-N 2.92Å; G289-C293 PolarHBondContact O-SG 3.32Å; G289-C293 VanDerWaalsContact O-SG 3.36Å; T290-C293 WeakPolarHBondContact O-CB 3.45Å; T290-C293 PolarHBondContact O-N 3.07Å; I291-C293 VanDerWaalsContact C-N 3.34Å; I291-C293 PolarHBondContact O-N 3.46Å; C293-L295 VanDerWaalsContact C-N 3.32Å; C293-L295 PolarHBondContact O-N 2.75Å; C293-I296 PolarHBondContact O-N 3.44Å; C293-L297 WeakPolarHBondContact O-CB 3.46Å; C293-L297 PolarHBondContact O-N 3.26Å; C293-L306 HydrophobicContact CB-CD1 3.92Å; C293-L306 HydrophobicContact CB-CD2 4.02Å; C293-L320 HydrophobicContact CB-CD1 4.42Å; C293-T338 WeakPolarHBondContact SG-CG2 3.17Å
294	Q	97.9	Very high	96.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.4	-41	176.1	-68	-177.5	-87.8	0	0	112.3	C146 T185 W268 T290 I291 M292 R298 S299 A301 L306	C146-Q294 PolarHBondContact SG-O 2.81Å; T185-Q294 HydrophobicContact CG2-CB 4.48Å; T185-Q294 VanDerWaalsContact CG2-OE1 3.23Å; W268-Q294 VanDerWaalsContact CE2-OE1 3.29Å; W268-Q294 VanDerWaalsContact CZ2-OE1 3.26Å; T290-Q294 WeakPolarHBondContact O-CG 3.46Å; T290-Q294 PolarHBondContact O-N 3.03Å; I291-Q294 WeakPolarHBondContact O-CB 3.38Å; I291-Q294 PolarHBondContact O-N 2.92Å; I291-Q294 VanDerWaalsContact O-N 3.15Å; M292-Q294 PolarHBondContact O-N 3.08Å; Q294-R298 WeakPolarHBondContact O-CA 3.49Å; Q294-R298 PolarHBondContact O-N 3.45Å; Q294-S299 WeakPolarHBondContact CB-O 3.49Å; Q294-S299 PolarHBondContact NE2-O 3.06Å; Q294-S299 PolarHBondContact O-N 3.14Å; Q294-A301 HydrophobicContact CG-CB 4.13Å; Q294-L306 HydrophobicContact CG-CD1 3.88Å
295	L	98.1	Very high	96.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68.5	-41.7	179.9	-66.8	174.7	0	0	0	112.1	L142 F154 I159 F162 I291 M292 C293	L142-L295 HydrophobicContact CD1-CD2 4.05Å; L142-L295 HydrophobicContact CD2-CD1 4.45Å; L142-L295 HydrophobicContact CD2-CD2 4.07Å; L142-L295 HydrophobicContact CG-CD2 4.12Å; F154-L295 HydrophobicContact CD2-CD2 4.41Å; F154-L295 HydrophobicContact CE2-CD2 3.78Å; I159-L295 HydrophobicContact CG2-CB 3.97Å; F162-L295 HydrophobicContact CB-CD1 4.24Å; I291-L295 HydrophobicContact CG2-CD1 4.03Å; I291-L295 HydrophobicContact CG2-CG 4.28Å; I291-L295 WeakPolarHBondContact O-CG 3.46Å; I291-L295 PolarHBondContact O-N 3.46Å; M292-L295 PolarHBondContact O-N 3.07Å; M292-L295 HydrophobicContact SD-CD1 4.13Å; C293-L295 VanDerWaalsContact C-N 3.32Å; C293-L295 PolarHBondContact O-N 2.75Å
296	I	97.3	Very high	96.3	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-63.2	-48.6	177	-69	165.1	0	0	0	110.5	W156 M292 C293 F326 P327 T330 L334 T338	W156-I296 HydrophobicContact CH2-CG2 4.24Å; W156-I296 HydrophobicContact CZ3-CG1 4.21Å; W156-I296 HydrophobicContact CZ3-CG2 4.48Å; M292-I296 VanDerWaalsContact O-CG1 3.26Å; M292-I296 WeakPolarHBondContact O-CG1 3.42Å; M292-I296 PolarHBondContact O-N 2.84Å; C293-I296 PolarHBondContact O-N 3.44Å; I296-F326 HydrophobicContact CG2-CE2 4.18Å; I296-F326 HydrophobicContact CG2-CZ 4.02Å; I296-P327 WeakPolarHBondContact O-CG 3.33Å; I296-T330 HydrophobicContact CG2-CG2 4.38Å; I296-L334 HydrophobicContact CD1-CD2 4.28Å; I296-L334 HydrophobicContact CD1-CG 4.24Å; I296-L334 HydrophobicContact CG1-CD2 4.16Å; I296-T338 HydrophobicContact CD1-CG2 4.22Å
297	L	96.4	Very high	96.1	Very high	5 Å²	5	20 Å²	20	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-85.4	-11	-176.2	-74.1	168.7	0	0	0	114	C293 S299 L306 L320 K325 F326	C293-L297 WeakPolarHBondContact O-CB 3.46Å; C293-L297 PolarHBondContact O-N 3.26Å; L297-S299 VanDerWaalsContact C-N 3.32Å; L297-S299 PolarHBondContact O-N 3.32Å; L297-L306 HydrophobicContact CD1-CD2 3.55Å; L297-L320 HydrophobicContact CD1-CD1 4.15Å; L297-L320 HydrophobicContact CD1-CD2 4.01Å; L297-L320 HydrophobicContact CD1-CG 4.49Å; L297-K325 HydrophobicContact CD2-CG 4.31Å; L297-F326 HydrophobicContact CD2-CB 4.23Å; L297-F326 HydrophobicContact CD2-CD2 3.69Å; L297-F326 HydrophobicContact CD2-CE2 4.43Å; L297-F326 HydrophobicContact CD2-CG 4.27Å; L297-F326 HydrophobicContact CG-CD2 4.32Å
298	R	96.2	Very high	95.9	Very high	29 Å²	29	21.7 Å²	21.7	11%	0.109	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	54.4	-172	-58.1	-78.5	-68.7	148.9	8.7	110.1	L145 C146 K149 Y152 Q294	L145-R298 PolarHBondContact O-NH1 2.95Å; L145-R298 PolarHBondContact O-NH2 3.44Å; C146-R298 PolarHBondContact O-NH1 3.05Å; C146-R298 VanDerWaalsContact O-NH1 3.08Å; C146-R298 PolarHBondContact O-NH2 3.01Å; K149-R298 HydrophobicContact CD-CB 4.22Å; K149-R298 WeakPolarHBondContact CE-O 3.28Å; K149-R298 HydrophobicContact CG-CB 4.4Å; K149-R298 PolarHBondContact NZ-O 2.84Å; K149-R298 VanDerWaalsContact NZ-O 3.09Å; Y152-R298 PolarHBondContact O-NH2 2.82Å; Q294-R298 WeakPolarHBondContact O-CA 3.49Å; Q294-R298 PolarHBondContact O-N 3.45Å
299	S	95.4	Very high	95.7	Very high	11 Å²	11	24.3 Å²	24.3	8%	0.077	13%	0.13	C	C	.	.			trans	-139	171.3	-173.1	70.3	0	0	0	0	113.3	Q294 L297	Q294-S299 WeakPolarHBondContact CB-O 3.49Å; Q294-S299 PolarHBondContact NE2-O 3.06Å; Q294-S299 PolarHBondContact O-N 3.14Å; L297-S299 VanDerWaalsContact C-N 3.32Å; L297-S299 PolarHBondContact O-N 3.32Å
300	N	94.3	Very high	95.3	Very high	49 Å²	49	30.6 Å²	30.6	26%	0.262	17%	0.169	S	C	.	.			trans	-72.9	168.8	172.8	-158	-1.7	0	0	0	110.9	H143 L147 D302 S305 L306	H143-N300 PolarHBondContact CE1-OD1 3.13Å; L147-N300 HydrophobicContact CD2-CB 4.45Å; N300-D302 VanDerWaalsContact CB-OD2 3.23Å; N300-D302 WeakPolarHBondContact CB-OD2 3.27Å; N300-D302 VanDerWaalsContact CG-OD2 3.22Å; N300-D302 PolarHBondContact ND2-OD2 3.18Å; N300-S305 WeakPolarHBondContact O-CB 3.45Å; N300-L306 WeakPolarHBondContact O-CG 3.17Å
301	A	95.6	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-92.3	-4.5	179.1	0	0	0	0	0	114.1	W268 T290 Q294 L306 R308	W268-A301 HydrophobicContact CD2-CB 4.13Å; W268-A301 HydrophobicContact CE3-CB 4.35Å; W268-A301 HydrophobicContact CH2-CB 3.61Å; W268-A301 HydrophobicContact CZ2-CB 3.33Å; W268-A301 HydrophobicContact CZ3-CB 4.11Å; T290-A301 HydrophobicContact CG2-CB 4.09Å; Q294-A301 HydrophobicContact CG-CB 4.13Å; A301-L306 HydrophobicContact CB-CD1 4.27Å; A301-R308 PolarHBondContact O-NH2 2.94Å
302	D	92.7	Very high	94.6	Very high	31 Å²	31	42 Å²	42	17%	0.166	22%	0.222	C	C	.	.	S	Bend	trans	-56.4	153.9	176.9	54.5	54	0	0	0	111.8	Y267 N300 D304 S305 L306	Y267-D302 HydrophobicContact CD2-CB 4.38Å; Y267-D302 HydrophobicContact CE2-CB 4.02Å; N300-D302 VanDerWaalsContact CB-OD2 3.23Å; N300-D302 WeakPolarHBondContact CB-OD2 3.27Å; N300-D302 VanDerWaalsContact CG-OD2 3.22Å; N300-D302 PolarHBondContact ND2-OD2 3.18Å; D302-D304 PolarHBondContact O-N 3.4Å; D302-D304 VanDerWaalsContact O-N 3.17Å; D302-D304 PolarHBondContact OD1-N 3.22Å; D302-S305 PolarHBondContact O-N 2.94Å; D302-S305 WeakPolarHBondContact OD1-CB 3.34Å; D302-S305 PolarHBondContact OD1-N 3.42Å; D302-S305 PolarHBondContact OD1-OG 3.43Å; D302-L306 PolarHBondContact O-N 2.96Å
303	P	91.5	Very high	94.3	Very high	60 Å²	60	46 Å²	46	39%	0.39	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.1	-178.7	-25.8	36	0	0	0	115.1	Y267 S305	Y267-P303 HydrophobicContact CE1-CG 4.28Å; P303-S305 VanDerWaalsContact C-N 3.34Å
304	D	90.5	Very high	94.1	Very high	155 Å²	155	46.2 Å²	46.2	83%	0.829	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-30.4	176.4	-61.1	-25.6	0	0	0	111.5	D302	D302-D304 PolarHBondContact O-N 3.4Å; D302-D304 VanDerWaalsContact O-N 3.17Å; D302-D304 PolarHBondContact OD1-N 3.22Å
305	S	92.7	Very high	94.1	Very high	22 Å²	22	46.7 Å²	46.7	15%	0.154	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-45.7	178.7	-62.7	0	0	0	0	112.8	N300 D302 P303	N300-S305 WeakPolarHBondContact O-CB 3.45Å; D302-S305 PolarHBondContact O-N 2.94Å; D302-S305 WeakPolarHBondContact OD1-CB 3.34Å; D302-S305 PolarHBondContact OD1-N 3.42Å; D302-S305 PolarHBondContact OD1-OG 3.43Å; P303-S305 VanDerWaalsContact C-N 3.34Å
306	L	95	Very high	93.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-112.6	96.8	178.3	-61	-170.7	0	0	0	109.5	T290 C293 Q294 L297 N300 A301 D302 R308 I315 L320	T290-L306 HydrophobicContact CG2-CD1 4.03Å; C293-L306 HydrophobicContact CB-CD1 3.92Å; C293-L306 HydrophobicContact CB-CD2 4.02Å; Q294-L306 HydrophobicContact CG-CD1 3.88Å; L297-L306 HydrophobicContact CD1-CD2 3.55Å; N300-L306 WeakPolarHBondContact O-CG 3.17Å; A301-L306 HydrophobicContact CB-CD1 4.27Å; D302-L306 PolarHBondContact O-N 2.96Å; L306-R308 WeakPolarHBondContact O-CG 3.26Å; L306-R308 PolarHBondContact O-N 3.47Å; L306-I315 HydrophobicContact CD1-CD1 4.13Å; L306-L320 HydrophobicContact CD2-CD1 4.32Å; L306-L320 HydrophobicContact CD2-CD2 4.4Å
307	I	94.6	Very high	93.8	Very high	51 Å²	51	48.9 Å²	48.9	26%	0.262	26%	0.259	S	S	.	.			trans	-55.1	133.9	-179.5	-59.2	172.2	0	0	0	110.4	I315 D316 E319 L320 L323	I307-I315 WeakPolarHBondContact O-CA 3.4Å; I307-D316 PolarHBondContact O-N 3.29Å; I307-E319 HydrophobicContact CB-CB 4.28Å; I307-E319 HydrophobicContact CD1-CB 4.01Å; I307-E319 HydrophobicContact CG2-CB 3.83Å; I307-E319 HydrophobicContact CG2-CG 4.4Å; I307-L320 HydrophobicContact CB-CD2 4.03Å; I307-L320 HydrophobicContact CG1-CD2 4.21Å; I307-L323 HydrophobicContact CD1-CD1 4.25Å; I307-L323 HydrophobicContact CD1-CD2 3.84Å; I307-L323 HydrophobicContact CD1-CG 4.18Å
308	R	94.4	Very high	93.7	Very high	36 Å²	36	54 Å²	54	14%	0.136	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-119.5	145.9	177.2	-60.7	175.1	-168.7	-97.6	-7.8	110.4	Y267 A301 L306 C314	Y267-R308 PolarHBondContact O-NH1 3.19Å; Y267-R308 VanDerWaalsContact O-NH1 3.16Å; Y267-R308 PolarHBondContact O-NH2 2.89Å; A301-R308 PolarHBondContact O-NH2 2.94Å; L306-R308 WeakPolarHBondContact O-CG 3.26Å; L306-R308 PolarHBondContact O-N 3.47Å; R308-C314 CarbonylContact C-O 3.46Å; R308-C314 WeakPolarHBondContact CA-O 3.43Å; R308-C314 WeakPolarHBondContact CB-O 3.34Å
309	D	94	Very high	93.7	Very high	55 Å²	55	56.1 Å²	56.1	29%	0.294	30%	0.297	S	S	.	.			trans	-67.5	132.7	169.3	169.6	-97.2	0	0	0	110	K311 T312 L313 C314	D309-K311 VanDerWaalsContact C-N 3.26Å; D309-K311 PolarHBondContact O-N 3.48Å; D309-K311 WeakPolarHBondContact OD1-CB 3.42Å; D309-K311 PolarHBondContact OD1-N 3.03Å; D309-T312 WeakPolarHBondContact CB-OG1 3.34Å; D309-T312 WeakPolarHBondContact OD1-CB 3.43Å; D309-T312 WeakPolarHBondContact OD1-CG2 3.48Å; D309-T312 PolarHBondContact OD1-N 3.44Å; D309-T312 PolarHBondContact OD1-OG1 2.76Å; D309-L313 VanDerWaalsContact O-CA 3.25Å; D309-L313 WeakPolarHBondContact O-CA 3.46Å; D309-L313 PolarHBondContact O-N 3.15Å; D309-C314 PolarHBondContact N-O 3.32Å
310	V	90.6	Very high	93.7	Very high	133 Å²	133	55.6 Å²	55.6	81%	0.806	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-29.8	-172.1	-178.7	0	0	0	0	112.2
311	K	91.5	Very high	93.7	Very high	193 Å²	193	57.5 Å²	57.5	84%	0.839	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-41.3	-175.6	-65.4	179.9	-179.7	176.4	0	112.2	D309	D309-K311 VanDerWaalsContact C-N 3.26Å; D309-K311 PolarHBondContact O-N 3.48Å; D309-K311 WeakPolarHBondContact OD1-CB 3.42Å; D309-K311 PolarHBondContact OD1-N 3.03Å
312	T	92.2	Very high	93.7	Very high	46 Å²	46	64.4 Å²	64.4	28%	0.282	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-17.2	-170.4	61.9	0	0	0	0	112.6	D309 C314 L344	D309-T312 WeakPolarHBondContact CB-OG1 3.34Å; D309-T312 WeakPolarHBondContact OD1-CB 3.43Å; D309-T312 WeakPolarHBondContact OD1-CG2 3.48Å; D309-T312 PolarHBondContact OD1-N 3.44Å; D309-T312 PolarHBondContact OD1-OG1 2.76Å; T312-C314 PolarHBondContact O-N 2.94Å; T312-C314 VanDerWaalsContact O-N 3.09Å; T312-C314 PolarHBondContact OG1-N 3.02Å; T312-L344 HydrophobicContact CG2-CD2 3.71Å
313	L	91.6	Very high	93.7	Very high	83 Å²	83	65 Å²	65	44%	0.435	34%	0.335	S	S	.	.			trans	60.8	6.8	-172.1	-52.8	175.9	0	0	0	114	I274 D309	I274-L313 HydrophobicContact CG2-CD1 4.13Å; D309-L313 VanDerWaalsContact O-CA 3.25Å; D309-L313 WeakPolarHBondContact O-CA 3.46Å; D309-L313 PolarHBondContact O-N 3.15Å
314	C	94.7	Very high	93.8	Very high	8 Å²	8	71.8 Å²	71.8	5%	0.054	36%	0.361	C	S	.	.			trans	-70.9	150.8	174.9	-74.4	0	0	0	0	111.2	Y286 R308 D309 T312 D316 L344	Y286-C314 VanDerWaalsContact OH-CA 3.31Å; Y286-C314 WeakPolarHBondContact OH-CA 3.34Å; R308-C314 CarbonylContact C-O 3.46Å; R308-C314 WeakPolarHBondContact CA-O 3.43Å; R308-C314 WeakPolarHBondContact CB-O 3.34Å; D309-C314 PolarHBondContact N-O 3.32Å; T312-C314 PolarHBondContact O-N 2.94Å; T312-C314 VanDerWaalsContact O-N 3.09Å; T312-C314 PolarHBondContact OG1-N 3.02Å; C314-D316 PolarHBondContact O-N 3.47Å; C314-L344 VanDerWaalsContact SG-CA 3.59Å
315	I	96.3	Very high	93.8	Very high	9 Å²	9	69.1 Å²	69.1	5%	0.046	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-62.5	126.7	167.7	-68.3	170.4	0	0	0	109.4	Y286 T290 L306 I307 M317 L320 V342	Y286-I315 PolarHBondContact OH-N 3.09Å; Y286-I315 VanDerWaalsContact OH-N 3.09Å; T290-I315 HydrophobicContact CG2-CD1 3.88Å; T290-I315 WeakPolarHBondContact OG1-CD1 3.13Å; L306-I315 HydrophobicContact CD1-CD1 4.13Å; I307-I315 WeakPolarHBondContact O-CA 3.4Å; I315-M317 HydrophobicContact CG2-SD 4.24Å; I315-M317 PolarHBondContact O-N 3.27Å; I315-L320 HydrophobicContact CG2-CD1 3.43Å; I315-L320 VanDerWaalsContact CG2-CD1 3.43Å; I315-L320 HydrophobicContact CG2-CG 4.24Å; I315-V342 HydrophobicContact CB-CB 4.22Å; I315-V342 HydrophobicContact CB-CG1 4.4Å; I315-V342 HydrophobicContact CB-CG2 4.31Å; I315-V342 HydrophobicContact CD1-CG1 4.06Å; I315-V342 HydrophobicContact CG2-CG2 4.46Å
316	D	95.5	Very high	93.9	Very high	40 Å²	40	69.3 Å²	69.3	21%	0.214	34%	0.341	C	S	.	.			trans	-92.9	96.5	176.2	-169.3	-29.9	0	0	0	110.1	I307 C314 N318 E319 L320	I307-D316 PolarHBondContact O-N 3.29Å; C314-D316 PolarHBondContact O-N 3.47Å; D316-N318 PolarHBondContact O-N 3.48Å; D316-N318 WeakPolarHBondContact OD1-CA 3.48Å; D316-N318 WeakPolarHBondContact OD1-CB 3.43Å; D316-N318 PolarHBondContact OD1-N 2.85Å; D316-E319 HydrophobicContact CB-CB 4.12Å; D316-E319 HydrophobicContact CB-CG 4.18Å; D316-E319 PolarHBondContact O-N 3.36Å; D316-E319 PolarHBondContact OD1-N 3.17Å; D316-E319 VanDerWaalsContact OD1-N 3.11Å; D316-L320 WeakPolarHBondContact O-CG 3.33Å; D316-L320 PolarHBondContact O-N 2.97Å
317	M	95.2	Very high	93.9	Very high	11 Å²	11	71 Å²	71	5%	0.054	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-30.8	178.7	-71.9	-61.1	-62.9	0	0	113.3	I315 L320 M321 L335 T338 V342	I315-M317 HydrophobicContact CG2-SD 4.24Å; I315-M317 PolarHBondContact O-N 3.27Å; M317-L320 PolarHBondContact O-N 3.36Å; M317-L320 HydrophobicContact SD-CD1 4.03Å; M317-M321 WeakPolarHBondContact O-CB 3.48Å; M317-M321 WeakPolarHBondContact O-CG 3.36Å; M317-M321 PolarHBondContact O-N 3.16Å; M317-L335 HydrophobicContact CE-CD1 3.58Å; M317-T338 HydrophobicContact CE-CG2 4.17Å; M317-T338 HydrophobicContact SD-CG2 4.3Å; M317-V342 HydrophobicContact CG-CG2 3.71Å; M317-V342 HydrophobicContact SD-CG2 4.15Å
318	N	94.3	Very high	93.9	Very high	111 Å²	111	74.1 Å²	74.1	59%	0.594	37%	0.368	S	S	*	.	H	α-helix	trans	-70.4	-41.1	179.9	-63.3	-48.7	0	0	0	110.7	D316 K322	D316-N318 PolarHBondContact O-N 3.48Å; D316-N318 WeakPolarHBondContact OD1-CA 3.48Å; D316-N318 WeakPolarHBondContact OD1-CB 3.43Å; D316-N318 PolarHBondContact OD1-N 2.85Å; N318-K322 WeakPolarHBondContact O-CG 3.49Å; N318-K322 PolarHBondContact O-N 3.45Å
319	E	94.9	Very high	93.8	Very high	74 Å²	74	76 Å²	76	35%	0.346	38%	0.38	S	S	.	.	H	α-helix	trans	-69.4	-39	174.3	-65.5	-54.4	130.3	0	0	111.6	I307 D316 M321 K322	I307-E319 HydrophobicContact CB-CB 4.28Å; I307-E319 HydrophobicContact CD1-CB 4.01Å; I307-E319 HydrophobicContact CG2-CB 3.83Å; I307-E319 HydrophobicContact CG2-CG 4.4Å; D316-E319 HydrophobicContact CB-CB 4.12Å; D316-E319 HydrophobicContact CB-CG 4.18Å; D316-E319 PolarHBondContact O-N 3.36Å; D316-E319 PolarHBondContact OD1-N 3.17Å; D316-E319 VanDerWaalsContact OD1-N 3.11Å; E319-M321 VanDerWaalsContact C-N 3.32Å; E319-M321 PolarHBondContact O-N 2.98Å; E319-K322 PolarHBondContact O-N 3.01Å; E319-K322 VanDerWaalsContact O-N 3.15Å; E319-K322 IonicContact OE1-NZ 3Å; E319-K322 PolarHBondContact OE1-NZ 3.36Å; E319-K322 IonicContact OE2-NZ 2.76Å
320	L	95.5	Very high	93.9	Very high	1 Å²	1	73.9 Å²	73.9	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-58.4	-43.8	174.2	-70.7	-171.9	0	0	0	112.4	C293 L297 L306 I307 I315 D316 M317 K322 L323 F326	C293-L320 HydrophobicContact CB-CD1 4.42Å; L297-L320 HydrophobicContact CD1-CD1 4.15Å; L297-L320 HydrophobicContact CD1-CD2 4.01Å; L297-L320 HydrophobicContact CD1-CG 4.49Å; L306-L320 HydrophobicContact CD2-CD1 4.32Å; L306-L320 HydrophobicContact CD2-CD2 4.4Å; I307-L320 HydrophobicContact CB-CD2 4.03Å; I307-L320 HydrophobicContact CG1-CD2 4.21Å; I315-L320 HydrophobicContact CG2-CD1 3.43Å; I315-L320 VanDerWaalsContact CG2-CD1 3.43Å; I315-L320 HydrophobicContact CG2-CG 4.24Å; D316-L320 WeakPolarHBondContact O-CG 3.33Å; D316-L320 PolarHBondContact O-N 2.97Å; M317-L320 PolarHBondContact O-N 3.36Å; M317-L320 HydrophobicContact SD-CD1 4.03Å; L320-K322 PolarHBondContact O-N 3.07Å; L320-L323 HydrophobicContact CD2-CD1 3.77Å; L320-L323 VanDerWaalsContact O-CB 3.26Å; L320-L323 WeakPolarHBondContact O-CB 3.35Å; L320-L323 WeakPolarHBondContact O-CG 3.37Å; L320-L323 PolarHBondContact O-N 3.06Å; L320-L323 VanDerWaalsContact O-N 3.12Å; L320-F326 HydrophobicContact CB-CD2 4.44Å; L320-F326 HydrophobicContact CB-CE2 4.46Å; L320-F326 WeakPolarHBondContact O-CD2 3.44Å
321	M	94.9	Very high	94.2	Very high	88 Å²	88	67.7 Å²	67.7	43%	0.433	33%	0.332	S	S	.	.	H	α-helix	trans	-66.7	-17.4	-179.9	-73.8	172.2	62.5	0	0	113.9	M317 E319 F326 L335	M317-M321 WeakPolarHBondContact O-CB 3.48Å; M317-M321 WeakPolarHBondContact O-CG 3.36Å; M317-M321 PolarHBondContact O-N 3.16Å; E319-M321 VanDerWaalsContact C-N 3.32Å; E319-M321 PolarHBondContact O-N 2.98Å; M321-F326 HydrophobicContact CG-CD2 4.45Å; M321-F326 HydrophobicContact CG-CE1 4.18Å; M321-F326 HydrophobicContact CG-CE2 4.01Å; M321-F326 HydrophobicContact CG-CZ 3.88Å; M321-L335 HydrophobicContact CE-CD2 3.7Å; M321-L335 HydrophobicContact CG-CD1 4.23Å; M321-L335 HydrophobicContact SD-CD1 3.92Å; M321-L335 HydrophobicContact SD-CD2 3.84Å; M321-L335 HydrophobicContact SD-CG 4.3Å
322	K	95	Very high	94.4	Very high	145 Å²	145	61.8 Å²	61.8	63%	0.63	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.9	175.3	-66.5	169	-169.1	173.4	0	113	N318 E319 L320 E324	N318-K322 WeakPolarHBondContact O-CG 3.49Å; N318-K322 PolarHBondContact O-N 3.45Å; E319-K322 PolarHBondContact O-N 3.01Å; E319-K322 VanDerWaalsContact O-N 3.15Å; E319-K322 IonicContact OE1-NZ 3Å; E319-K322 PolarHBondContact OE1-NZ 3.36Å; E319-K322 IonicContact OE2-NZ 2.76Å; L320-K322 PolarHBondContact O-N 3.07Å; K322-E324 PolarHBondContact O-N 3.1Å
323	L	93.8	Very high	94.6	Very high	45 Å²	45	61.2 Å²	61.2	24%	0.236	31%	0.308	C	S	.	.	S	Bend	trans	-64.4	135.2	178.5	-65.8	171.7	0	0	0	110.3	I307 L320 K325 F326	I307-L323 HydrophobicContact CD1-CD1 4.25Å; I307-L323 HydrophobicContact CD1-CD2 3.84Å; I307-L323 HydrophobicContact CD1-CG 4.18Å; L320-L323 HydrophobicContact CD2-CD1 3.77Å; L320-L323 VanDerWaalsContact O-CB 3.26Å; L320-L323 WeakPolarHBondContact O-CB 3.35Å; L320-L323 WeakPolarHBondContact O-CG 3.37Å; L320-L323 PolarHBondContact O-N 3.06Å; L320-L323 VanDerWaalsContact O-N 3.12Å; L323-K325 HydrophobicContact CB-CG 4.06Å; L323-K325 PolarHBondContact O-N 2.99Å; L323-F326 HydrophobicContact CB-CB 4.4Å; L323-F326 WeakPolarHBondContact O-CB 3.32Å; L323-F326 PolarHBondContact O-N 3.32Å
324	E	92.4	Very high	94.9	Very high	201 Å²	201	57.3 Å²	57.3	94%	0.939	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-36	176.1	-174.1	-177.8	179.2	0	0	112.3	K322 F326	K322-E324 PolarHBondContact O-N 3.1Å; E324-F326 PolarHBondContact O-N 3.17Å
325	K	91.2	Very high	95	Very high	99 Å²	99	58.5 Å²	58.5	43%	0.43	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-4.5	177.2	64.6	177.2	178.4	-176.2	0	114.5	L297 L323 P327	L297-K325 HydrophobicContact CD2-CG 4.31Å; L323-K325 HydrophobicContact CB-CG 4.06Å; L323-K325 PolarHBondContact O-N 2.99Å; K325-P327 WeakPolarHBondContact O-CD 3.46Å
326	F	95.4	Very high	95.1	Very high	27 Å²	27	62.2 Å²	62.2	12%	0.118	31%	0.313	C	S	.	.	S	Bend	trans	-74	123.1	-178	-164.8	-79.2	0	0	0	110.5	I296 L297 L320 M321 L323 E324 I328 T330 L335	I296-F326 HydrophobicContact CG2-CE2 4.18Å; I296-F326 HydrophobicContact CG2-CZ 4.02Å; L297-F326 HydrophobicContact CD2-CB 4.23Å; L297-F326 HydrophobicContact CD2-CD2 3.69Å; L297-F326 HydrophobicContact CD2-CE2 4.43Å; L297-F326 HydrophobicContact CD2-CG 4.27Å; L297-F326 HydrophobicContact CG-CD2 4.32Å; L320-F326 HydrophobicContact CB-CD2 4.44Å; L320-F326 HydrophobicContact CB-CE2 4.46Å; L320-F326 WeakPolarHBondContact O-CD2 3.44Å; M321-F326 HydrophobicContact CG-CD2 4.45Å; M321-F326 HydrophobicContact CG-CE1 4.18Å; M321-F326 HydrophobicContact CG-CE2 4.01Å; M321-F326 HydrophobicContact CG-CZ 3.88Å; L323-F326 HydrophobicContact CB-CB 4.4Å; L323-F326 WeakPolarHBondContact O-CB 3.32Å; L323-F326 PolarHBondContact O-N 3.32Å; E324-F326 PolarHBondContact O-N 3.17Å; F326-I328 PolarHBondContact O-N 2.99Å; F326-I328 VanDerWaalsContact O-N 3.12Å; F326-T330 WeakPolarHBondContact CE1-OG1 3.38Å; F326-L335 HydrophobicContact CZ-CD1 3.9Å
327	P	95	Very high	95.2	Very high	34 Å²	34	60.3 Å²	60.3	22%	0.221	30%	0.303	C	S	.	.			trans	-64.4	116.1	-177.3	-23.8	35	0	0	0	112.8	W156 I296 K325 N329 T330	W156-P327 HydrophobicContact CH2-CB 3.86Å; W156-P327 HydrophobicContact CH2-CG 4.16Å; W156-P327 HydrophobicContact CZ2-CB 3.63Å; W156-P327 HydrophobicContact CZ2-CG 4.35Å; I296-P327 WeakPolarHBondContact O-CG 3.33Å; K325-P327 WeakPolarHBondContact O-CD 3.46Å; P327-N329 PolarHBondContact O-N 3.44Å; P327-T330 WeakPolarHBondContact O-CB 3.27Å; P327-T330 PolarHBondContact O-N 3.18Å; P327-T330 VanDerWaalsContact O-N 3.12Å; P327-T330 PolarHBondContact O-OG1 3.22Å
328	I	93	Very high	95.3	Very high	118 Å²	118	59.8 Å²	59.8	61%	0.605	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.9	-176.3	-151.6	165.4	0	0	0	113.7	F326 T330	F326-I328 PolarHBondContact O-N 2.99Å; F326-I328 VanDerWaalsContact O-N 3.12Å; I328-T330 VanDerWaalsContact C-N 3.33Å
329	N	93	Very high	95.5	Very high	75 Å²	75	57 Å²	57	40%	0.401	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	17.3	-180	65.6	-20.1	0	0	0	112.9	W156 P327 P331 V375	W156-N329 WeakPolarHBondContact CZ2-OD1 3.47Å; W156-N329 PolarHBondContact NE1-ND2 3.22Å; W156-N329 PolarHBondContact NE1-O 3.35Å; W156-N329 PolarHBondContact NE1-OD1 2.92Å; P327-N329 PolarHBondContact O-N 3.44Å; N329-P331 WeakPolarHBondContact O-CD 3.38Å; N329-V375 HydrophobicContact CB-CG2 4.33Å
330	T	95.9	Very high	95.7	Very high	11 Å²	11	56.6 Å²	56.6	7%	0.067	29%	0.288	C	S	.	.			trans	-58.3	124.4	175.5	-59.6	0	0	0	0	110.3	W156 I296 F326 P327 I328 L334 L335	W156-T330 HydrophobicContact CH2-CG2 3.88Å; W156-T330 WeakPolarHBondContact CH2-OG1 3.47Å; W156-T330 VanDerWaalsContact CZ2-CA 3.41Å; W156-T330 HydrophobicContact CZ3-CG2 4.15Å; I296-T330 HydrophobicContact CG2-CG2 4.38Å; F326-T330 WeakPolarHBondContact CE1-OG1 3.38Å; P327-T330 WeakPolarHBondContact O-CB 3.27Å; P327-T330 PolarHBondContact O-N 3.18Å; P327-T330 VanDerWaalsContact O-N 3.12Å; P327-T330 PolarHBondContact O-OG1 3.22Å; I328-T330 VanDerWaalsContact C-N 3.33Å; T330-L334 HydrophobicContact CG2-CD2 4.46Å; T330-L335 HydrophobicContact CG2-CB 4.21Å
331	P	96	Very high	95.8	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.013	29%	0.287	C	S	.	.			trans	-58	131	-179.5	-28	36.4	0	0	0	111.8	W156 N329 I333 L334 L335 C362 Y365 L366	W156-P331 HydrophobicContact CB-CG 4.42Å; W156-P331 HydrophobicContact CD2-CG 4.14Å; W156-P331 HydrophobicContact CE3-CG 4.42Å; W156-P331 HydrophobicContact CG-CG 4.12Å; N329-P331 WeakPolarHBondContact O-CD 3.38Å; P331-I333 PolarHBondContact O-N 3.41Å; P331-L334 HydrophobicContact CB-CB 4.09Å; P331-L334 WeakPolarHBondContact O-CB 3.29Å; P331-L334 PolarHBondContact O-N 3.4Å; P331-L335 PolarHBondContact O-N 3.43Å; P331-C362 VanDerWaalsContact CB-SG 3.51Å; P331-Y365 HydrophobicContact CB-CE1 4.48Å; P331-L366 HydrophobicContact CG-CD1 4.29Å; P331-L366 HydrophobicContact CG-CD2 3.95Å; P331-L366 HydrophobicContact CG-CG 4.39Å
332	P	95.8	Very high	96	Very high	69 Å²	69	52.6 Å²	52.6	45%	0.448	27%	0.268	S	S	.	.	H	α-helix	trans	-58.2	-34.9	-176.7	-28.1	35.2	0	0	0	114.1	L335 N336	P332-L335 PolarHBondContact O-N 2.86Å; P332-N336 WeakPolarHBondContact O-CB 3.34Å; P332-N336 PolarHBondContact O-N 3.2Å
333	I	96.9	Very high	96.1	Very high	34 Å²	34	46.8 Å²	46.8	17%	0.174	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-45.8	177.5	-58.5	169	0	0	0	110.4	P331 M337 L358 Q361 C362 Y365	P331-I333 PolarHBondContact O-N 3.41Å; I333-M337 WeakPolarHBondContact O-CB 3.42Å; I333-M337 PolarHBondContact O-N 3.49Å; I333-L358 HydrophobicContact CG2-CD2 4.45Å; I333-L358 WeakPolarHBondContact CG2-O 3.19Å; I333-Q361 HydrophobicContact CD1-CG 4.11Å; I333-C362 HydrophobicContact CB-CB 4.07Å; I333-C362 HydrophobicContact CG2-CB 3.91Å; I333-Y365 HydrophobicContact CD1-CD2 4.49Å; I333-Y365 HydrophobicContact CD1-CG 4.12Å
334	L	97.7	Very high	96.2	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-44.4	177.9	-178.2	64.4	0	0	0	111.3	W156 I159 I160 M292 I296 T330 P331 M337 T338 L359	W156-L334 HydrophobicContact CE3-CD2 3.8Å; W156-L334 HydrophobicContact CZ3-CD2 3.8Å; I159-L334 HydrophobicContact CG2-CD2 4.25Å; I160-L334 HydrophobicContact CG1-CD1 4.34Å; I160-L334 HydrophobicContact CG1-CD2 4.35Å; M292-L334 HydrophobicContact CE-CD1 3.52Å; I296-L334 HydrophobicContact CD1-CD2 4.28Å; I296-L334 HydrophobicContact CD1-CG 4.24Å; I296-L334 HydrophobicContact CG1-CD2 4.16Å; T330-L334 HydrophobicContact CG2-CD2 4.46Å; P331-L334 HydrophobicContact CB-CB 4.09Å; P331-L334 WeakPolarHBondContact O-CB 3.29Å; P331-L334 PolarHBondContact O-N 3.4Å; L334-M337 HydrophobicContact CD1-CE 4.15Å; L334-T338 WeakPolarHBondContact O-CB 3.4Å; L334-T338 PolarHBondContact O-N 3.1Å; L334-T338 PolarHBondContact O-OG1 3.22Å; L334-L359 HydrophobicContact CD1-CD2 3.89Å
335	L	97.2	Very high	96.4	Very high	34 Å²	34	41.4 Å²	41.4	18%	0.178	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-49.9	179.3	-179	61.9	0	0	0	111.6	M317 M321 F326 T330 P331 P332 T338 S339	M317-L335 HydrophobicContact CE-CD1 3.58Å; M321-L335 HydrophobicContact CE-CD2 3.7Å; M321-L335 HydrophobicContact CG-CD1 4.23Å; M321-L335 HydrophobicContact SD-CD1 3.92Å; M321-L335 HydrophobicContact SD-CD2 3.84Å; M321-L335 HydrophobicContact SD-CG 4.3Å; F326-L335 HydrophobicContact CZ-CD1 3.9Å; T330-L335 HydrophobicContact CG2-CB 4.21Å; P331-L335 PolarHBondContact O-N 3.43Å; P332-L335 PolarHBondContact O-N 2.86Å; L335-T338 PolarHBondContact O-N 3.12Å; L335-S339 WeakPolarHBondContact O-CB 3.48Å; L335-S339 PolarHBondContact O-N 2.81Å
336	N	97.7	Very high	96.7	Very high	86 Å²	86	38.6 Å²	38.6	46%	0.46	22%	0.215	S	C	.	.	H	α-helix	trans	-61.7	-46.1	179.5	178.1	55.6	0	0	0	111.6	P332 T338 S339 Q340	P332-N336 WeakPolarHBondContact O-CB 3.34Å; P332-N336 PolarHBondContact O-N 3.2Å; N336-T338 PolarHBondContact O-N 3.23Å; N336-S339 PolarHBondContact O-N 3.26Å; N336-Q340 PolarHBondContact ND2-NE2 3.13Å; N336-Q340 VanDerWaalsContact ND2-NE2 3.1Å; N336-Q340 WeakPolarHBondContact O-CG 2.91Å; N336-Q340 PolarHBondContact O-N 3.3Å; N336-Q340 PolarHBondContact OD1-NE2 2.66Å
337	M	98.4	Very high	96.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-47.2	176.2	-177.1	-159.4	72.9	0	0	111.6	F288 M292 I333 L334 S339 Q340 C341 C355 L358 L359	F288-M337 HydrophobicContact CE1-CE 4.05Å; F288-M337 HydrophobicContact CZ-CE 4.43Å; M292-M337 HydrophobicContact CE-CE 4.25Å; M292-M337 HydrophobicContact CG-CE 4.26Å; I333-M337 WeakPolarHBondContact O-CB 3.42Å; I333-M337 PolarHBondContact O-N 3.49Å; L334-M337 HydrophobicContact CD1-CE 4.15Å; M337-S339 VanDerWaalsContact C-N 3.3Å; M337-S339 PolarHBondContact O-N 2.97Å; M337-Q340 PolarHBondContact O-N 3.45Å; M337-C341 PolarHBondContact O-N 3.17Å; M337-C341 PolarHBondContact O-SG 2.96Å; M337-C355 HydrophobicContact SD-CB 4.12Å; M337-L358 HydrophobicContact CB-CB 4.35Å; M337-L358 HydrophobicContact CB-CD1 4.03Å; M337-L358 HydrophobicContact CG-CB 4.14Å; M337-L358 HydrophobicContact CG-CD1 3.73Å; M337-L358 HydrophobicContact SD-CB 3.97Å; M337-L359 HydrophobicContact CE-CD1 4.26Å; M337-L359 HydrophobicContact CE-CD2 3.83Å; M337-L359 HydrophobicContact CE-CG 3.99Å; M337-L359 HydrophobicContact SD-CD1 4.12Å; M337-L359 HydrophobicContact SD-CD2 4.16Å; M337-L359 HydrophobicContact SD-CG 3.7Å
338	T	98.4	Very high	96.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-43.5	179.6	-57.7	0	0	0	0	110.8	M292 C293 I296 M317 L334 L335 N336 Q340 C341 V342	M292-T338 HydrophobicContact CB-CG2 3.79Å; C293-T338 WeakPolarHBondContact SG-CG2 3.17Å; I296-T338 HydrophobicContact CD1-CG2 4.22Å; M317-T338 HydrophobicContact CE-CG2 4.17Å; M317-T338 HydrophobicContact SD-CG2 4.3Å; L334-T338 WeakPolarHBondContact O-CB 3.4Å; L334-T338 PolarHBondContact O-N 3.1Å; L334-T338 PolarHBondContact O-OG1 3.22Å; L335-T338 PolarHBondContact O-N 3.12Å; N336-T338 PolarHBondContact O-N 3.23Å; T338-Q340 VanDerWaalsContact C-N 3.35Å; T338-Q340 PolarHBondContact O-N 3.47Å; T338-C341 WeakPolarHBondContact O-CB 3.46Å; T338-C341 PolarHBondContact O-N 2.98Å; T338-V342 PolarHBondContact O-N 3.2Å
339	S	98.1	Very high	97.1	Very high	52 Å²	52	45.6 Å²	45.6	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-62.7	-37.9	176.2	-172.5	0	0	0	0	113.4	L335 N336 M337	L335-S339 WeakPolarHBondContact O-CB 3.48Å; L335-S339 PolarHBondContact O-N 2.81Å; N336-S339 PolarHBondContact O-N 3.26Å; M337-S339 VanDerWaalsContact C-N 3.3Å; M337-S339 PolarHBondContact O-N 2.97Å
340	Q	98.2	Very high	97.4	Very high	65 Å²	65	42.7 Å²	42.7	30%	0.304	22%	0.221	S	C	.	.	H	α-helix	trans	-67.8	-38.9	175.5	-68.3	173.8	12.3	0	0	111.5	N336 M337 T338 V342 S343 P350	N336-Q340 PolarHBondContact ND2-NE2 3.13Å; N336-Q340 VanDerWaalsContact ND2-NE2 3.1Å; N336-Q340 WeakPolarHBondContact O-CG 2.91Å; N336-Q340 PolarHBondContact O-N 3.3Å; N336-Q340 PolarHBondContact OD1-NE2 2.66Å; M337-Q340 PolarHBondContact O-N 3.45Å; T338-Q340 VanDerWaalsContact C-N 3.35Å; T338-Q340 PolarHBondContact O-N 3.47Å; Q340-V342 VanDerWaalsContact C-N 3.33Å; Q340-V342 PolarHBondContact O-N 3.42Å; Q340-S343 VanDerWaalsContact O-CB 3.27Å; Q340-S343 WeakPolarHBondContact O-CB 3.46Å; Q340-S343 PolarHBondContact O-N 3.33Å; Q340-P350 HydrophobicContact CB-CG 4.41Å
341	C	98.6	Very high	97.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-39.1	179	-65.9	0	0	0	0	112.4	V285 Y286 G289 M337 T338 S343 R349	V285-C341 HydrophobicContact CG1-CB 4.07Å; Y286-C341 WeakPolarHBondContact CA-O 3.15Å; G289-C341 VanDerWaalsContact CA-CB 3.49Å; M337-C341 PolarHBondContact O-N 3.17Å; M337-C341 PolarHBondContact O-SG 2.96Å; T338-C341 WeakPolarHBondContact O-CB 3.46Å; T338-C341 PolarHBondContact O-N 2.98Å; C341-S343 VanDerWaalsContact C-N 3.3Å; C341-S343 PolarHBondContact O-N 3.17Å; C341-R349 WeakPolarHBondContact O-CD 3.45Å; C341-R349 WeakPolarHBondContact O-CG 3.43Å
342	V	98.1	Very high	97.6	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.03	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	16.9	179.5	-56.8	0	0	0	0	114	Y286 G289 I315 M317 T338 Q340	Y286-V342 HydrophobicContact CD2-CB 4.42Å; Y286-V342 HydrophobicContact CE2-CB 4.09Å; Y286-V342 WeakPolarHBondContact CE2-O 3.23Å; G289-V342 VanDerWaalsContact C-CG1 3.47Å; I315-V342 HydrophobicContact CB-CB 4.22Å; I315-V342 HydrophobicContact CB-CG1 4.4Å; I315-V342 HydrophobicContact CB-CG2 4.31Å; I315-V342 HydrophobicContact CD1-CG1 4.06Å; I315-V342 HydrophobicContact CG2-CG2 4.46Å; M317-V342 HydrophobicContact CG-CG2 3.71Å; M317-V342 HydrophobicContact SD-CG2 4.15Å; T338-V342 PolarHBondContact O-N 3.2Å; Q340-V342 VanDerWaalsContact C-N 3.33Å; Q340-V342 PolarHBondContact O-N 3.42Å
343	S	97.5	Very high	97.7	Very high	23 Å²	23	47.7 Å²	47.7	16%	0.161	25%	0.249	C	C	.	.			trans	-61.3	138.9	175.9	170.1	0	0	0	0	112.1	Q340 C341 D345 N348 R349	Q340-S343 VanDerWaalsContact O-CB 3.27Å; Q340-S343 WeakPolarHBondContact O-CB 3.46Å; Q340-S343 PolarHBondContact O-N 3.33Å; C341-S343 VanDerWaalsContact C-N 3.3Å; C341-S343 PolarHBondContact O-N 3.17Å; S343-D345 PolarHBondContact OG-N 2.9Å; S343-D345 PolarHBondContact OG-O 3.12Å; S343-N348 WeakPolarHBondContact OG-CB 3.44Å; S343-R349 PolarHBondContact O-NE 2.98Å; S343-R349 PolarHBondContact O-NH2 2.89Å; S343-R349 VanDerWaalsContact O-NH2 3.13Å
344	L	96.6	Very high	97.8	Very high	90 Å²	90	48.7 Å²	48.7	47%	0.471	26%	0.258	S	S	.	.	S	Bend	trans	-57.2	-48.3	170.4	175.9	61.9	0	0	0	111.4	P271 T312 C314 P346 R349	P271-L344 HydrophobicContact CB-CD1 3.98Å; P271-L344 HydrophobicContact CG-CD1 3.72Å; T312-L344 HydrophobicContact CG2-CD2 3.71Å; C314-L344 VanDerWaalsContact SG-CA 3.59Å; L344-P346 VanDerWaalsContact O-CD 3.29Å; L344-P346 WeakPolarHBondContact O-CD 3.15Å; L344-R349 PolarHBondContact O-NH2 2.96Å
345	D	96.5	Very high	97.8	Very high	44 Å²	44	48.6 Å²	48.6	24%	0.235	26%	0.258	C	S	.	.	S	Bend	trans	-76.2	117.4	176.8	-173.5	-15.7	0	0	0	109.7	S343 R347 N348	S343-D345 PolarHBondContact OG-N 2.9Å; S343-D345 PolarHBondContact OG-O 3.12Å; D345-R347 PolarHBondContact O-N 2.97Å; D345-R347 WeakPolarHBondContact OD1-CB 3.35Å; D345-R347 WeakPolarHBondContact OD1-CG 3.44Å; D345-R347 IonicContact OD1-CZ 2.66Å; D345-R347 PolarHBondContact OD1-N 2.84Å; D345-R347 IonicContact OD1-NE 3.26Å; D345-R347 PolarHBondContact OD1-NE 3.27Å; D345-R347 IonicContact OD1-NH2 2.96Å; D345-R347 IonicContact OD2-CZ 3.75Å; D345-R347 VanDerWaalsContact OD2-CZ 3.26Å; D345-R347 IonicContact OD2-NE 2.65Å; D345-R347 PolarHBondContact OD2-NE 3.09Å; D345-R347 VanDerWaalsContact OD2-NE 3.09Å; D345-R347 IonicContact OD2-NH2 3.09Å; D345-R347 PolarHBondContact OD2-NH2 3.28Å; D345-N348 PolarHBondContact O-N 3.12Å; D345-N348 VanDerWaalsContact O-N 3.17Å
346	P	96.4	Very high	97.9	Very high	40 Å²	40	48.3 Å²	48.3	26%	0.26	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-59.2	-26.8	-179.9	-22.7	33.7	0	0	0	113.8	S282 L344 N348 R349	S282-P346 WeakPolarHBondContact OG-CB 3.47Å; L344-P346 VanDerWaalsContact O-CD 3.29Å; L344-P346 WeakPolarHBondContact O-CD 3.15Å; P346-N348 PolarHBondContact O-N 2.8Å; P346-R349 WeakPolarHBondContact O-CB 3.48Å; P346-R349 PolarHBondContact O-N 3.44Å; P346-R349 VanDerWaalsContact O-N 3.1Å
347	R	96.7	Very high	97.9	Very high	211 Å²	211	45.8 Å²	45.8	80%	0.796	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-70.1	-21.4	-178.6	-59.6	172.7	-65.4	175.9	2.1	113.5	D345 R349	D345-R347 PolarHBondContact O-N 2.97Å; D345-R347 WeakPolarHBondContact OD1-CB 3.35Å; D345-R347 WeakPolarHBondContact OD1-CG 3.44Å; D345-R347 IonicContact OD1-CZ 2.66Å; D345-R347 PolarHBondContact OD1-N 2.84Å; D345-R347 IonicContact OD1-NE 3.26Å; D345-R347 PolarHBondContact OD1-NE 3.27Å; D345-R347 IonicContact OD1-NH2 2.96Å; D345-R347 IonicContact OD2-CZ 3.75Å; D345-R347 VanDerWaalsContact OD2-CZ 3.26Å; D345-R347 IonicContact OD2-NE 2.65Å; D345-R347 PolarHBondContact OD2-NE 3.09Å; D345-R347 VanDerWaalsContact OD2-NE 3.09Å; D345-R347 IonicContact OD2-NH2 3.09Å; D345-R347 PolarHBondContact OD2-NH2 3.28Å; R347-R349 VanDerWaalsContact C-N 3.3Å
348	N	97.5	Very high	97.9	Very high	99 Å²	99	47.4 Å²	47.4	53%	0.529	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-85.2	-9.1	176	-64.5	-23.6	0	0	0	112	S343 D345 P346	S343-N348 WeakPolarHBondContact OG-CB 3.44Å; D345-N348 PolarHBondContact O-N 3.12Å; D345-N348 VanDerWaalsContact O-N 3.17Å; P346-N348 PolarHBondContact O-N 2.8Å
349	R	98.2	Very high	97.9	Very high	16 Å²	16	47.5 Å²	47.5	6%	0.06	26%	0.26	C	S	.	.	S	Bend	trans	-80.6	126.4	179.5	-54.6	-178.4	-165.6	147.6	7.2	108.9	E272 S282 V285 C341 S343 L344 P346 R347	E272-R349 IonicContact OE1-CZ 2.87Å; E272-R349 IonicContact OE1-NH1 3.66Å; E272-R349 PolarHBondContact OE1-NH1 3.18Å; E272-R349 IonicContact OE1-NH2 2.89Å; E272-R349 PolarHBondContact OE1-NH2 3.42Å; E272-R349 IonicContact OE2-CZ 3.66Å; E272-R349 IonicContact OE2-NH1 2.66Å; E272-R349 IonicContact OE2-NH2 2.64Å; E272-R349 PolarHBondContact OE2-NH2 2.85Å; S282-R349 PolarHBondContact O-NH1 2.76Å; S282-R349 VanDerWaalsContact O-NH1 3.12Å; V285-R349 HydrophobicContact CB-CB 4.25Å; V285-R349 HydrophobicContact CG1-CB 3.88Å; C341-R349 WeakPolarHBondContact O-CD 3.45Å; C341-R349 WeakPolarHBondContact O-CG 3.43Å; S343-R349 PolarHBondContact O-NE 2.98Å; S343-R349 PolarHBondContact O-NH2 2.89Å; S343-R349 VanDerWaalsContact O-NH2 3.13Å; L344-R349 PolarHBondContact O-NH2 2.96Å; P346-R349 WeakPolarHBondContact O-CB 3.48Å; P346-R349 PolarHBondContact O-N 3.44Å; P346-R349 VanDerWaalsContact O-N 3.1Å; R347-R349 VanDerWaalsContact C-N 3.3Å
350	P	98.3	Very high	97.8	Very high	13 Å²	13	49.8 Å²	49.8	8%	0.084	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-65.2	148	176.4	25.6	-33.7	0	0	0	111	V285 Q340 C355	V285-P350 VanDerWaalsContact CG1-O 3.25Å; V285-P350 WeakPolarHBondContact CG1-O 3.4Å; V285-P350 WeakPolarHBondContact CG2-O 3.45Å; Q340-P350 HydrophobicContact CB-CG 4.41Å; P350-C355 VanDerWaalsContact CG-SG 3.59Å
351	C	98.2	Very high	97.7	Very high	72 Å²	72	51.8 Å²	51.8	49%	0.486	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-67	160.7	166.2	65	0	0	0	0	110.6	D353 S354 C355	C351-D353 VanDerWaalsContact C-N 3.28Å; C351-D353 PolarHBondContact O-N 2.67Å; C351-S354 WeakPolarHBondContact O-CA 3.44Å; C351-S354 WeakPolarHBondContact O-CB 3.31Å; C351-S354 PolarHBondContact O-N 3.32Å; C351-C355 PolarHBondContact O-N 3.26Å; C351-C355 PolarHBondContact O-SG 2.93Å
352	F	98.7	Very high	97.6	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-33.2	-178.8	-78.9	-70.8	0	0	0	113.8	A167 M170 A171 H174 L183 D284 V285 F288 S354 C355 I356	A167-F352 HydrophobicContact CB-CD1 3.86Å; M170-F352 HydrophobicContact CB-CD1 3.73Å; M170-F352 HydrophobicContact CB-CD2 3.53Å; M170-F352 HydrophobicContact CB-CE1 3.59Å; M170-F352 HydrophobicContact CB-CE2 3.42Å; M170-F352 VanDerWaalsContact CB-CE2 3.42Å; M170-F352 HydrophobicContact CB-CG 3.68Å; M170-F352 HydrophobicContact CB-CZ 3.44Å; M170-F352 VanDerWaalsContact CB-CZ 3.44Å; M170-F352 HydrophobicContact CE-CE2 4.04Å; M170-F352 HydrophobicContact CE-CZ 4.25Å; M170-F352 HydrophobicContact CG-CE1 3.94Å; M170-F352 HydrophobicContact CG-CE2 4.06Å; M170-F352 HydrophobicContact CG-CZ 3.69Å; A171-F352 HydrophobicContact CB-CB 3.76Å; H174-F352 AromaticContact CE1-CD2 3.47Å; H174-F352 VanDerWaalsContact CE1-CD2 3.47Å; H174-F352 WeakPolarHBondContact CE1-CD2 3.39Å; H174-F352 AromaticContact CE1-CE2 3.35Å; H174-F352 WeakPolarHBondContact CE1-CE2 3.36Å; H174-F352 AromaticContact ND1-CD2 3.54Å; H174-F352 AromaticContact ND1-CE2 3.93Å; H174-F352 AromaticContact NE2-CE2 3.84Å; L183-F352 HydrophobicContact CD2-CZ 4.28Å; D284-F352 HydrophobicContact CB-CE2 3.92Å; D284-F352 HydrophobicContact CB-CZ 4.19Å; V285-F352 HydrophobicContact CG2-CD2 4.13Å; V285-F352 HydrophobicContact CG2-CE2 3.83Å; V285-F352 HydrophobicContact CG2-CZ 4.21Å; F288-F352 HydrophobicContact CB-CE1 3.63Å; F288-F352 HydrophobicContact CB-CZ 3.85Å; F288-F352 HydrophobicContact CD1-CE1 4.01Å; F288-F352 HydrophobicContact CD2-CE1 4.02Å; F288-F352 AromaticContact CG-CE1 3.62Å; F288-F352 HydrophobicContact CG-CE1 3.62Å; F288-F352 HydrophobicContact CG-CZ 4.34Å; F352-S354 VanDerWaalsContact C-N 3.29Å; F352-S354 PolarHBondContact O-N 3.09Å; F352-C355 WeakPolarHBondContact O-CB 3.4Å; F352-C355 PolarHBondContact O-N 2.92Å; F352-I356 VanDerWaalsContact O-CG1 3.26Å; F352-I356 WeakPolarHBondContact O-CG1 3.26Å; F352-I356 PolarHBondContact O-N 2.66Å
353	D	98.3	Very high	97.5	Very high	115 Å²	115	52.7 Å²	52.7	62%	0.615	28%	0.279	S	S	*	.	H	α-helix	trans	-59.6	-40	172.5	-62.7	-83.9	0	0	0	112.2	C351 I356 G357	C351-D353 VanDerWaalsContact C-N 3.28Å; C351-D353 PolarHBondContact O-N 2.67Å; D353-I356 PolarHBondContact O-N 3.16Å; D353-G357 PolarHBondContact O-N 2.71Å; D353-G357 VanDerWaalsContact O-N 3.14Å
354	S	98.2	Very high	97.3	Very high	54 Å²	54	57.2 Å²	57.2	38%	0.378	30%	0.301	S	S	.	.	H	α-helix	trans	-69	-40.8	175.3	-176.5	0	0	0	0	111.5	C351 F352 I356 G357 L358	C351-S354 WeakPolarHBondContact O-CA 3.44Å; C351-S354 WeakPolarHBondContact O-CB 3.31Å; C351-S354 PolarHBondContact O-N 3.32Å; F352-S354 VanDerWaalsContact C-N 3.29Å; F352-S354 PolarHBondContact O-N 3.09Å; S354-I356 VanDerWaalsContact C-N 3.32Å; S354-I356 PolarHBondContact O-N 3.2Å; S354-G357 PolarHBondContact O-N 3.41Å; S354-L358 WeakPolarHBondContact O-CG 3.41Å; S354-L358 PolarHBondContact O-N 2.96Å
355	C	98.7	Very high	97.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-57.3	-44.4	172.9	-62.5	0	0	0	0	111.9	A167 F288 M337 P350 C351 F352 L358 L359	A167-C355 HydrophobicContact CB-CB 4.29Å; F288-C355 HydrophobicContact CE1-CB 4.17Å; M337-C355 HydrophobicContact SD-CB 4.12Å; P350-C355 VanDerWaalsContact CG-SG 3.59Å; C351-C355 PolarHBondContact O-N 3.26Å; C351-C355 PolarHBondContact O-SG 2.93Å; F352-C355 WeakPolarHBondContact O-CB 3.4Å; F352-C355 PolarHBondContact O-N 2.92Å; C355-L358 PolarHBondContact O-N 3.3Å; C355-L359 WeakPolarHBondContact O-CB 3.44Å; C355-L359 WeakPolarHBondContact O-CD1 3.34Å; C355-L359 VanDerWaalsContact O-CG 3.26Å; C355-L359 WeakPolarHBondContact O-CG 3.19Å; C355-L359 PolarHBondContact O-N 3.17Å
356	I	98.5	Very high	96.9	Very high	27 Å²	27	55 Å²	55	14%	0.138	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-49.8	176.9	-66	161.5	0	0	0	110	R164 A167 A171 F352 D353 S354 L358 L359 E360	R164-I356 HydrophobicContact CG-CG2 4.43Å; A167-I356 HydrophobicContact CB-CG1 3.73Å; A171-I356 HydrophobicContact CB-CD1 3.98Å; F352-I356 VanDerWaalsContact O-CG1 3.26Å; F352-I356 WeakPolarHBondContact O-CG1 3.26Å; F352-I356 PolarHBondContact O-N 2.66Å; D353-I356 PolarHBondContact O-N 3.16Å; S354-I356 VanDerWaalsContact C-N 3.32Å; S354-I356 PolarHBondContact O-N 3.2Å; I356-L358 VanDerWaalsContact C-N 3.34Å; I356-L358 PolarHBondContact O-N 3.09Å; I356-L359 PolarHBondContact O-N 2.99Å; I356-E360 HydrophobicContact CG2-CG 4.38Å; I356-E360 WeakPolarHBondContact O-CG 3.5Å; I356-E360 PolarHBondContact O-N 2.68Å
357	G	97.9	Very high	96.6	Very high	34 Å²	34	57 Å²	57	35%	0.351	29%	0.293	S	S	.	.	H	α-helix	trans	-59.3	-41.3	178.6	0	0	0	0	0	113.4	D353 S354 E360 Q361	D353-G357 PolarHBondContact O-N 2.71Å; D353-G357 VanDerWaalsContact O-N 3.14Å; S354-G357 PolarHBondContact O-N 3.41Å; G357-E360 PolarHBondContact O-N 3.35Å; G357-Q361 WeakPolarHBondContact O-CB 3.13Å; G357-Q361 PolarHBondContact O-N 2.75Å
358	L	98.2	Very high	96.2	Very high	34 Å²	34	50 Å²	50	18%	0.178	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-38.2	176.2	-71.3	167.4	0	0	0	112.3	I333 M337 S354 C355 I356 Q361 C362	I333-L358 HydrophobicContact CG2-CD2 4.45Å; I333-L358 WeakPolarHBondContact CG2-O 3.19Å; M337-L358 HydrophobicContact CB-CB 4.35Å; M337-L358 HydrophobicContact CB-CD1 4.03Å; M337-L358 HydrophobicContact CG-CB 4.14Å; M337-L358 HydrophobicContact CG-CD1 3.73Å; M337-L358 HydrophobicContact SD-CB 3.97Å; S354-L358 WeakPolarHBondContact O-CG 3.41Å; S354-L358 PolarHBondContact O-N 2.96Å; C355-L358 PolarHBondContact O-N 3.3Å; I356-L358 VanDerWaalsContact C-N 3.34Å; I356-L358 PolarHBondContact O-N 3.09Å; L358-Q361 PolarHBondContact O-N 3.12Å; L358-C362 WeakPolarHBondContact O-CB 3.5Å; L358-C362 PolarHBondContact O-N 3.24Å
359	L	98.1	Very high	95.3	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-69	-39.8	176.3	-73.7	161.2	0	0	0	112	I160 R164 A167 F288 M292 L334 M337 C355 I356 C362 L363	I160-L359 HydrophobicContact CB-CD2 4.42Å; I160-L359 HydrophobicContact CG1-CD2 4.44Å; I160-L359 HydrophobicContact CG2-CB 4.17Å; I160-L359 HydrophobicContact CG2-CD2 3.98Å; I160-L359 VanDerWaalsContact CG2-O 3.32Å; I160-L359 WeakPolarHBondContact CG2-O 3.36Å; R164-L359 HydrophobicContact CB-CB 4.32Å; R164-L359 HydrophobicContact CB-CD1 4.3Å; A167-L359 HydrophobicContact CB-CD1 4.41Å; F288-L359 HydrophobicContact CZ-CD1 4.11Å; M292-L359 HydrophobicContact CE-CD2 4.22Å; L334-L359 HydrophobicContact CD1-CD2 3.89Å; M337-L359 HydrophobicContact CE-CD1 4.26Å; M337-L359 HydrophobicContact CE-CD2 3.83Å; M337-L359 HydrophobicContact CE-CG 3.99Å; M337-L359 HydrophobicContact SD-CD1 4.12Å; M337-L359 HydrophobicContact SD-CD2 4.16Å; M337-L359 HydrophobicContact SD-CG 3.7Å; C355-L359 WeakPolarHBondContact O-CB 3.44Å; C355-L359 WeakPolarHBondContact O-CD1 3.34Å; C355-L359 VanDerWaalsContact O-CG 3.26Å; C355-L359 WeakPolarHBondContact O-CG 3.19Å; C355-L359 PolarHBondContact O-N 3.17Å; I356-L359 PolarHBondContact O-N 2.99Å; L359-C362 WeakPolarHBondContact O-CB 3.4Å; L359-C362 PolarHBondContact O-N 3.12Å; L359-L363 PolarHBondContact O-N 2.87Å
360	E	97.2	Very high	93.7	Very high	100 Å²	100	53.2 Å²	53.2	47%	0.467	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-42.5	173.7	-72.2	178.4	165.5	0	0	111.5	I356 G357 C362 L363 L364	I356-E360 HydrophobicContact CG2-CG 4.38Å; I356-E360 WeakPolarHBondContact O-CG 3.5Å; I356-E360 PolarHBondContact O-N 2.68Å; G357-E360 PolarHBondContact O-N 3.35Å; E360-C362 VanDerWaalsContact C-N 3.3Å; E360-C362 PolarHBondContact O-N 3.29Å; E360-L363 PolarHBondContact O-N 2.92Å; E360-L364 WeakPolarHBondContact O-CG 3.25Å; E360-L364 PolarHBondContact O-N 2.88Å
361	Q	96.1	Very high	91.7	Very high	107 Å²	107	59.4 Å²	59.4	50%	0.5	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-40.7	172.7	-169.5	-175.2	5.6	0	0	111.5	I333 G357 L358 L364 Y365	I333-Q361 HydrophobicContact CD1-CG 4.11Å; G357-Q361 WeakPolarHBondContact O-CB 3.13Å; G357-Q361 PolarHBondContact O-N 2.75Å; L358-Q361 PolarHBondContact O-N 3.12Å; Q361-L364 PolarHBondContact O-N 3.05Å; Q361-Y365 WeakPolarHBondContact O-CB 3.36Å; Q361-Y365 PolarHBondContact O-N 3.17Å
362	C	96.2	Very high	89.3	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.007	32%	0.32	C	S	.	.	H	α-helix	trans	-64.9	-39.4	176.6	-167.3	0	0	0	0	112.1	I160 P331 I333 L358 L359 E360 Y365 L366	I160-C362 HydrophobicContact CD1-CB 4.12Å; I160-C362 WeakPolarHBondContact CD1-SG 3.1Å; P331-C362 VanDerWaalsContact CB-SG 3.51Å; I333-C362 HydrophobicContact CB-CB 4.07Å; I333-C362 HydrophobicContact CG2-CB 3.91Å; L358-C362 WeakPolarHBondContact O-CB 3.5Å; L358-C362 PolarHBondContact O-N 3.24Å; L359-C362 WeakPolarHBondContact O-CB 3.4Å; L359-C362 PolarHBondContact O-N 3.12Å; E360-C362 VanDerWaalsContact C-N 3.3Å; E360-C362 PolarHBondContact O-N 3.29Å; C362-Y365 WeakPolarHBondContact O-CB 3.36Å; C362-Y365 PolarHBondContact O-N 2.99Å; C362-L366 WeakPolarHBondContact O-CG 3.21Å; C362-L366 PolarHBondContact O-N 3.28Å
363	L	95	Very high	86.6	Confident	24 Å²	24	65.4 Å²	65.4	13%	0.126	36%	0.357	C	S	.	.	H	α-helix	trans	-63.3	-46.6	174.4	-177.2	60.2	0	0	0	111.3	I157 I160 L359 E360 Y365 L366 L367	I157-L363 HydrophobicContact CB-CD1 4.44Å; I157-L363 HydrophobicContact CG1-CD1 4.16Å; I157-L363 HydrophobicContact CG2-CD1 3.92Å; I160-L363 HydrophobicContact CG2-CB 4.17Å; L359-L363 PolarHBondContact O-N 2.87Å; E360-L363 PolarHBondContact O-N 2.92Å; L363-Y365 VanDerWaalsContact C-N 3.31Å; L363-Y365 PolarHBondContact O-N 3.39Å; L363-L366 PolarHBondContact O-N 3.47Å; L363-L367 HydrophobicContact CD1-CD1 4.08Å; L363-L367 HydrophobicContact CD1-CG 4.26Å; L363-L367 HydrophobicContact CG-CD1 3.88Å; L363-L367 HydrophobicContact CG-CG 4.46Å; L363-L367 WeakPolarHBondContact O-CB 3.36Å; L363-L367 VanDerWaalsContact O-CG 3.25Å; L363-L367 WeakPolarHBondContact O-CG 3.47Å; L363-L367 PolarHBondContact O-N 2.95Å
364	L	94.6	Very high	84.1	Confident	118 Å²	118	66.4 Å²	66.4	62%	0.618	36%	0.358	S	S	*	.	H	α-helix	trans	-60	-41.9	175.5	-71.6	171.1	0	0	0	111.9	E360 Q361 L366 L367 S368	E360-L364 WeakPolarHBondContact O-CG 3.25Å; E360-L364 PolarHBondContact O-N 2.88Å; Q361-L364 PolarHBondContact O-N 3.05Å; L364-L366 PolarHBondContact O-N 3.5Å; L364-L367 PolarHBondContact O-N 3.27Å; L364-S368 WeakPolarHBondContact O-CB 3.35Å; L364-S368 PolarHBondContact O-N 3.44Å; L364-S368 PolarHBondContact O-OG 3.42Å
365	Y	92	Very high	81.8	Confident	58 Å²	58	66 Å²	66	23%	0.227	35%	0.354	C	S	.	.	H	α-helix	trans	-55.9	-49.7	175.3	170.3	-100.4	0	0	0	111.4	P331 I333 Q361 C362 L363 S368 H370 S372	P331-Y365 HydrophobicContact CB-CE1 4.48Å; I333-Y365 HydrophobicContact CD1-CD2 4.49Å; I333-Y365 HydrophobicContact CD1-CG 4.12Å; Q361-Y365 WeakPolarHBondContact O-CB 3.36Å; Q361-Y365 PolarHBondContact O-N 3.17Å; C362-Y365 WeakPolarHBondContact O-CB 3.36Å; C362-Y365 PolarHBondContact O-N 2.99Å; L363-Y365 VanDerWaalsContact C-N 3.31Å; L363-Y365 PolarHBondContact O-N 3.39Å; Y365-S368 PolarHBondContact O-N 3Å; Y365-S368 PolarHBondContact O-OG 3.09Å; Y365-H370 HydrophobicContact CD2-CB 3.89Å; Y365-H370 WeakPolarHBondContact CE1-O 3.35Å; Y365-H370 HydrophobicContact CE2-CB 3.57Å; Y365-H370 WeakPolarHBondContact CE2-O 3.48Å; Y365-H370 PolarHBondContact OH-O 3.48Å; Y365-H370 VanDerWaalsContact OH-O 3.05Å; Y365-S372 PolarHBondContact OH-OG 2.89Å
366	L	91.7	Very high	79	Confident	28 Å²	28	71.9 Å²	71.9	15%	0.147	38%	0.384	C	S	.	.	H	α-helix	trans	-64.4	-42.6	178.4	-70.5	177.2	0	0	0	113.2	W156 I157 I160 P331 C362 L363 L364 S368 G369	W156-L366 HydrophobicContact CB-CD1 3.56Å; I157-L366 HydrophobicContact CG1-CD1 4.35Å; I160-L366 HydrophobicContact CD1-CD1 3.35Å; I160-L366 HydrophobicContact CD1-CG 4.44Å; P331-L366 HydrophobicContact CG-CD1 4.29Å; P331-L366 HydrophobicContact CG-CD2 3.95Å; P331-L366 HydrophobicContact CG-CG 4.39Å; C362-L366 WeakPolarHBondContact O-CG 3.21Å; C362-L366 PolarHBondContact O-N 3.28Å; L363-L366 PolarHBondContact O-N 3.47Å; L364-L366 PolarHBondContact O-N 3.5Å; L366-S368 VanDerWaalsContact C-N 3.29Å; L366-S368 PolarHBondContact O-N 3.44Å; L366-G369 PolarHBondContact O-N 2.72Å
367	L	90.4	Very high	76.5	Confident	82 Å²	82	75.6 Å²	75.6	43%	0.429	41%	0.408	S	S	.	.	H	α-helix	trans	-69.6	-26.9	-178.9	-68.3	172.3	0	0	0	112.8	L39 I157 L363 L364 G369	L39-L367 HydrophobicContact CD1-CD1 3.45Å; L39-L367 VanDerWaalsContact CD1-CD1 3.45Å; I157-L367 HydrophobicContact CD1-CD2 4.18Å; L363-L367 HydrophobicContact CD1-CD1 4.08Å; L363-L367 HydrophobicContact CD1-CG 4.26Å; L363-L367 HydrophobicContact CG-CD1 3.88Å; L363-L367 HydrophobicContact CG-CG 4.46Å; L363-L367 WeakPolarHBondContact O-CB 3.36Å; L363-L367 VanDerWaalsContact O-CG 3.25Å; L363-L367 WeakPolarHBondContact O-CG 3.47Å; L363-L367 PolarHBondContact O-N 2.95Å; L364-L367 PolarHBondContact O-N 3.27Å; L367-G369 PolarHBondContact O-N 2.77Å
368	S	88.9	Confident	73.9	Confident	66 Å²	66	80.1 Å²	80.1	46%	0.462	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	0	176.6	73.6	0	0	0	0	114.4	L364 Y365 L366 H370	L364-S368 WeakPolarHBondContact O-CB 3.35Å; L364-S368 PolarHBondContact O-N 3.44Å; L364-S368 PolarHBondContact O-OG 3.42Å; Y365-S368 PolarHBondContact O-N 3Å; Y365-S368 PolarHBondContact O-OG 3.09Å; L366-S368 VanDerWaalsContact C-N 3.29Å; L366-S368 PolarHBondContact O-N 3.44Å; S368-H370 PolarHBondContact O-N 3.34Å; S368-H370 PolarHBondContact O-ND1 2.83Å; S368-H370 PolarHBondContact OG-ND1 3.01Å
369	G	77.7	Confident	71.3	Confident	61 Å²	61	83.2 Å²	83.2	63%	0.629	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	4.5	-179.2	0	0	0	0	0	114.5	L366 L367 Q371	L366-G369 PolarHBondContact O-N 2.72Å; L367-G369 PolarHBondContact O-N 2.77Å; G369-Q371 PolarHBondContact O-N 3.41Å
370	H	64.8	Low	68.7	Low	121 Å²	121	86 Å²	86	56%	0.56	45%	0.451	S	S	*	.			trans	-73.7	71.5	170.5	-68.9	79.1	0	0	0	109.2	Y365 S368	Y365-H370 HydrophobicContact CD2-CB 3.89Å; Y365-H370 WeakPolarHBondContact CE1-O 3.35Å; Y365-H370 HydrophobicContact CE2-CB 3.57Å; Y365-H370 WeakPolarHBondContact CE2-O 3.48Å; Y365-H370 PolarHBondContact OH-O 3.48Å; Y365-H370 VanDerWaalsContact OH-O 3.05Å; S368-H370 PolarHBondContact O-N 3.34Å; S368-H370 PolarHBondContact O-ND1 2.83Å; S368-H370 PolarHBondContact OG-ND1 3.01Å
371	Q	55.2	Low	66.3	Low	143 Å²	143	84.1 Å²	84.1	67%	0.668	45%	0.452	S	S	*	.			trans	-76.8	132	160.4	-68.8	-169.4	-0.3	0	0	108.1	G369 Q373	G369-Q371 PolarHBondContact O-N 3.41Å; Q371-Q373 PolarHBondContact O-N 3.19Å
372	S	49.6	Very low	64	Low	29 Å²	29	85.6 Å²	85.6	20%	0.203	46%	0.459	C	S	.	.			trans	-43.2	125.6	-177.9	-40.2	0	0	0	0	111.8	Y365 Q374 V375	Y365-S372 PolarHBondContact OH-OG 2.89Å; S372-Q374 PolarHBondContact O-N 3.33Å; S372-V375 PolarHBondContact O-N 3.18Å
373	Q	41.2	Very low	61.5	Low	169 Å²	169	91.3 Å²	91.3	79%	0.79	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-12.4	175.9	-76	174.1	-23.4	0	0	114.1	Q371 V375 I376	Q371-Q373 PolarHBondContact O-N 3.19Å; Q373-V375 PolarHBondContact O-N 3.5Å; Q373-I376 PolarHBondContact O-N 3.49Å
374	Q	46.5	Very low	59.3	Low	136 Å²	136	96.2 Å²	96.2	64%	0.636	51%	0.514	S	S	*	.	H	α-helix	trans	-67.6	-17.1	172.5	-64.2	-168.8	8.4	0	0	114.3	S372	S372-Q374 PolarHBondContact O-N 3.33Å
375	V	49.2	Very low	56.9	Low	47 Å²	47	95.1 Å²	95.1	29%	0.285	52%	0.516	S	S	.	.	H	α-helix	trans	-75.9	-26	177	180	0	0	0	0	112.1	N329 S372 Q373	N329-V375 HydrophobicContact CB-CG2 4.33Å; S372-V375 PolarHBondContact O-N 3.18Å; Q373-V375 PolarHBondContact O-N 3.5Å
376	I	40.4	Very low	54.5	Low	122 Å²	122	97.7 Å²	97.7	63%	0.626	54%	0.538	S	S	*	.	H	α-helix	trans	-80.3	-30.5	-178.3	-59.7	176	0	0	0	111.3	Q373 S380	Q373-I376 PolarHBondContact O-N 3.49Å; I376-S380 PolarHBondContact O-OG 3.15Å
377	V	45.3	Very low	52.2	Low	106 Å²	106	101.6 Å²	101.6	64%	0.642	56%	0.563	S	S	*	*	H	α-helix	trans	-82.5	-25.5	-172.5	-173.7	0	0	0	0	113.1
378	R	44.7	Very low	49.7	Very low	129 Å²	129	104.7 Å²	104.7	49%	0.487	58%	0.58	S	S	.	*	H	α-helix	trans	-88.6	-37	179.4	-76.9	-178.4	171.7	133.8	-6.6	113.9	S380 A381 E382	R378-S380 PolarHBondContact O-N 3.04Å; R378-A381 PolarHBondContact O-N 3.29Å; R378-E382 PolarHBondContact O-N 3.11Å
379	N	43.5	Very low	47.3	Very low	99 Å²	99	109 Å²	109	53%	0.529	60%	0.598	S	S	.	*	H	α-helix	trans	-64.8	-31.5	173.5	-67.6	2.4	0	0	0	111.6	A381 D383	N379-A381 VanDerWaalsContact C-N 3.31Å; N379-A381 PolarHBondContact O-N 3.27Å; N379-D383 PolarHBondContact O-N 2.86Å
380	S	43.7	Very low	45.5	Very low	61 Å²	61	113.4 Å²	113.4	43%	0.427	61%	0.607	S	S	.	*	H	α-helix	trans	-72.8	-21.5	173.5	-49.9	0	0	0	0	113.4	I376 R378 I384	I376-S380 PolarHBondContact O-OG 3.15Å; R378-S380 PolarHBondContact O-N 3.04Å; S380-I384 WeakPolarHBondContact O-CD1 3.12Å; S380-I384 WeakPolarHBondContact O-CG1 3.13Å
381	A	46.2	Very low	44.3	Very low	59 Å²	59	115.6 Å²	115.6	49%	0.488	62%	0.623	S	S	.	*	H	α-helix	trans	-87.1	-32.7	-178.4	0	0	0	0	0	112.3	R378 N379 S385	R378-A381 PolarHBondContact O-N 3.29Å; N379-A381 VanDerWaalsContact C-N 3.31Å; N379-A381 PolarHBondContact O-N 3.27Å; A381-S385 PolarHBondContact O-OG 2.65Å
382	E	47.4	Very low	43.5	Very low	138 Å²	138	113.2 Å²	113.2	65%	0.645	63%	0.628	S	S	*	*	H	α-helix	trans	-80.3	-27.5	178.5	-68	-179.5	177.2	0	0	112.7	R378 S385	R378-E382 PolarHBondContact O-N 3.11Å; E382-S385 PolarHBondContact O-OG 3.4Å
383	D	43.6	Very low	43	Very low	122 Å²	122	120.9 Å²	120.9	65%	0.652	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-12.9	174.5	-76.3	-23.6	0	0	0	114	N379	N379-D383 PolarHBondContact O-N 2.86Å
384	I	48.7	Very low	43	Very low	127 Å²	127	117.8 Å²	117.8	65%	0.651	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-21.1	178	-66.8	175.4	0	0	0	112	S380 T386	S380-I384 WeakPolarHBondContact O-CD1 3.12Å; S380-I384 WeakPolarHBondContact O-CG1 3.13Å; I384-T386 VanDerWaalsContact C-N 3.32Å; I384-T386 PolarHBondContact O-N 3.35Å
385	S	44.6	Very low	42.7	Very low	95 Å²	95	117 Å²	117	66%	0.664	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-1.7	-180	51.8	0	0	0	0	115.3	A381 E382	A381-S385 PolarHBondContact O-OG 2.65Å; E382-S385 PolarHBondContact O-OG 3.4Å
386	T	41.7	Very low	42.3	Very low	111 Å²	111	121.9 Å²	121.9	68%	0.681	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	8.9	-175.4	44.3	0	0	0	0	114.7	I384	I384-T386 VanDerWaalsContact C-N 3.32Å; I384-T386 PolarHBondContact O-N 3.35Å
387	V	42.3	Very low	42.4	Very low	111 Å²	111	121 Å²	121	67%	0.673	69%	0.691	S	S	*	*	S	Bend	trans	-121.1	-3.9	-171.8	-175.2	0	0	0	0	115.1
388	N	38.8	Very low	42.1	Very low	147 Å²	147	118.9 Å²	118.9	79%	0.786	69%	0.691	S	S	*	*			trans	-120.1	76.3	-178.9	-88.5	-4.9	0	0	0	112.5
389	D	39.1	Very low	42.1	Very low	156 Å²	156	120.3 Å²	120.3	83%	0.834	70%	0.703	S	S	*	*			trans	-157.3	70.9	157.8	-93.3	-28.9	0	0	0	108.8
390	N	39.3	Very low	42.2	Very low	154 Å²	154	122.9 Å²	122.9	82%	0.824	71%	0.711	S	S	*	*			trans	-159.1	122.5	165.1	-80.7	-47.6	0	0	0	109.1
391	N	39.4	Very low	42.1	Very low	166 Å²	166	125.6 Å²	125.6	89%	0.888	72%	0.721	S	S	*	*			trans	114.4	92.9	165.3	-60.5	-20.3	0	0	0	116.8
392	A	39	Very low	42	Very low	93 Å²	93	129.3 Å²	129.3	77%	0.769	73%	0.732	S	S	*	*			trans	171.7	97.6	134.6	0	0	0	0	0	107.2
393	E	39.1	Very low	41.9	Very low	190 Å²	190	129 Å²	129	89%	0.888	74%	0.735	S	S	*	*				39.8	128.7	92.1	-73	-171.6	169.8	0	0	112.7
394	S	40	Very low	41.8	Very low	104 Å²	104	128.3 Å²	128.3	73%	0.727	74%	0.735	S	S	*	*			cis	-178.3	173.5	5.7	43.5	0	0	0	0	107.3
395	V	41.7	Very low	41.5	Very low	121 Å²	121	128.2 Å²	128.2	73%	0.733	74%	0.735	S	S	*	*			trans	106.1	113.8	153.8	-167.1	0	0	0	0	118.8
396	D	40.2	Very low	41.4	Very low	148 Å²	148	132.2 Å²	132.2	79%	0.791	74%	0.741	S	S	*	*			trans	56.1	143.9	150.1	-91.6	-12.1	0	0	0	120.9
397	S	43.1	Very low	41.9	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	77%	0.767	S	S	*	*			cis	-173.9	153.7	-0.1	40.6	0	0	0	0	107.1
398	G	39.1	Very low	41.9	Very low	62 Å²	62	141.1 Å²	141.1	64%	0.639	77%	0.772	S	S	*	*			trans	114.9	111	143.9	0	0	0	0	0	118.9
399	H	43	Very low	42.1	Very low	159 Å²	159	140.7 Å²	140.7	74%	0.736	77%	0.771	S	S	*	*			trans	82.9	103.2	145.9	-68.7	51.3	0	0	0	116.8
400	Q	45.3	Very low	42.3	Very low	152 Å²	152	139.9 Å²	139.9	71%	0.71	77%	0.768	S	S	*	*				65.6	128.7	93.1	-72.8	-178.3	14.1	0	0	110.9
401	N	43.1	Very low	42.4	Very low	118 Å²	118	139.1 Å²	139.1	63%	0.631	76%	0.764	S	S	*	*			cis	-178.7	150.8	10.3	-121.5	-24.5	0	0	0	105.1
402	L	43.1	Very low	42.6	Very low	137 Å²	137	137.4 Å²	137.4	72%	0.717	76%	0.757	S	S	*	*			trans	63.7	139	140.4	-64.2	162.3	0	0	0	118.1
403	D	44.9	Very low	42.9	Very low	133 Å²	133	140.3 Å²	140.3	71%	0.711	76%	0.756	S	S	*	*			cis	-179.8	163.5	-6.5	-142.1	-18.3	0	0	0	106.4
404	V	43.3	Very low	43.1	Very low	107 Å²	107	136.8 Å²	136.8	65%	0.648	75%	0.746	S	S	*	*			trans	82.1	97.6	146.1	-178.2	0	0	0	0	120.3
405	N	41.8	Very low	43.4	Very low	124 Å²	124	139.3 Å²	139.3	66%	0.663	75%	0.748	S	S	*	*				65.4	123.8	117.2	-70.6	-44.7	0	0	0	123.9
406	K	42	Very low	43.5	Very low	180 Å²	180	140.8 Å²	140.8	78%	0.783	75%	0.749	S	S	*	*				57.1	108.8	123.3	-64.9	178.6	175.7	178.8	0	119
407	H	53.2	Low	43.8	Very low	266 Å²	266	140.2 Å²	140.2	100%	1.231	75%	0.745	S	S	*	*				-152.4	0	93.9	-107.1	-24.6	0	0	0	111.9

Retrieved 407 of 407 residues in 1226 ms (Link to these results)

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