A0A077ZF56_TRITR Loading...

Inositol polyphosphate 5 phosphatase OCRL 1

AlphaFold DB , UniProt , Accession A0A077ZF56, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 695 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	32.8	Very low	244 Å²	244	146.9 Å²	146.9	100%	1.202	85%	0.849	S	S	*	*				0	77.1	0	-64.8	-178.6	-175.6	0	0	105.5
2	A	35.2	Very low	32.4	Very low	92 Å²	92	146.6 Å²	146.6	76%	0.76	84%	0.842	S	S	*	*				72.7	105.6	70.7	0	0	0	0	0	112.4
3	D	37.9	Very low	32	Very low	158 Å²	158	148.3 Å²	148.3	85%	0.845	85%	0.846	S	S	*	*			trans	149.2	94.1	145.3	-77.9	-5.9	0	0	0	108.2
4	Q	34.1	Very low	31.7	Very low	176 Å²	176	151.5 Å²	151.5	82%	0.822	85%	0.85	S	S	*	*				59	105.5	63.2	-73.5	-162.3	0.3	0	0	116.7
5	N	38.6	Very low	31.3	Very low	148 Å²	148	152.1 Å²	152.1	79%	0.791	84%	0.843	S	S	*	*				176	106.9	123.6	-89.3	-23.4	0	0	0	108.9
6	N	33.1	Very low	31.1	Very low	151 Å²	151	152.9 Å²	152.9	81%	0.807	85%	0.845	S	S	*	*				71.8	102.3	72.2	-153.4	19.2	0	0	0	112.7
7	S	33.5	Very low	30.6	Very low	116 Å²	116	153.5 Å²	153.5	81%	0.811	84%	0.84	S	S	*	*				167	153.7	97.2	45.1	0	0	0	0	106.1
8	G	27.1	Very low	30.3	Very low	80 Å²	80	156.4 Å²	156.4	83%	0.825	84%	0.843	S	S	*	*			cis	152.8	126.9	14	0	0	0	0	0	104.9
9	G	29.6	Very low	30.1	Very low	76 Å²	76	152.9 Å²	152.9	78%	0.784	84%	0.839	S	S	*	*			trans	176	92.4	-178.3	0	0	0	0	0	111.8
10	E	27.9	Very low	30	Very low	173 Å²	173	152.4 Å²	152.4	81%	0.808	84%	0.839	S	S	*	*			trans	-55.1	137.8	-178.6	-71.1	154.6	140.1	0	0	113.9
11	F	28.6	Very low	29.7	Very low	202 Å²	202	153.1 Å²	153.1	89%	0.886	84%	0.843	S	S	*	*			trans	-129.7	98.2	150.7	-90	-83.7	0	0	0	107.1	L13	F11-L13 PolarHBondContact O-N 3.25Å
12	D	27.2	Very low	29.3	Very low	143 Å²	143	145 Å²	145	77%	0.765	82%	0.822	S	S	*	*			trans	-70.7	117.5	166.2	-82.2	-28.7	0	0	0	109.4
13	L	27.4	Very low	28.8	Very low	169 Å²	169	145 Å²	145	89%	0.885	82%	0.821	S	S	*	*			trans	-131.4	88	157.1	-77.3	173.9	0	0	0	106.6	F11	F11-L13 PolarHBondContact O-N 3.25Å
14	E	28.7	Very low	28.2	Very low	193 Å²	193	146.5 Å²	146.5	90%	0.902	82%	0.823	S	S	*	*			trans	-84.9	141.5	164	-91.5	-168.3	161.2	0	0	111
15	E	25	Very low	27.6	Very low	160 Å²	160	144.6 Å²	144.6	75%	0.748	82%	0.823	S	S	*	*			trans	-66.2	154.6	-175.8	-61.2	168	142.5	0	0	113.1
16	N	27.5	Very low	27.1	Very low	165 Å²	165	145.4 Å²	145.4	88%	0.882	83%	0.827	S	S	*	*			trans	-152.4	100.8	134.8	-97.4	-46.5	0	0	0	110
17	H	23.9	Very low	26.7	Very low	164 Å²	164	142.2 Å²	142.2	76%	0.759	82%	0.821	S	S	*	*			trans	-74	126.5	162.2	-84.9	-49.3	0	0	0	110.2
18	F	24.3	Very low	26.1	Very low	205 Å²	205	141.1 Å²	141.1	90%	0.899	82%	0.819	S	S	*	*			trans	-162.1	135.4	148.8	-95.9	-72.4	0	0	0	110.7
19	A	27	Very low	26	Very low	91 Å²	91	143.4 Å²	143.4	75%	0.752	82%	0.817	S	S	*	*			trans	123.1	84.1	161.7	0	0	0	0	0	112.1
20	V	28.9	Very low	25.9	Very low	141 Å²	141	148.6 Å²	148.6	86%	0.855	82%	0.821	S	S	*	*				76.5	109.6	84.9	177.7	0	0	0	0	112.5
21	D	22.8	Very low	25.6	Very low	169 Å²	169	149.1 Å²	149.1	90%	0.904	82%	0.823	S	S	*	*			trans	-48.6	152.7	167.6	-79.3	-49.2	0	0	0	114.7
22	G	26.4	Very low	26	Very low	74 Å²	74	144.3 Å²	144.3	76%	0.763	81%	0.812	S	S	*	*			trans	155.9	77.1	153.7	0	0	0	0	0	117.9
23	A	25	Very low	25.8	Very low	90 Å²	90	147.1 Å²	147.1	74%	0.744	82%	0.818	S	S	*	*			trans	55.7	122.6	135	0	0	0	0	0	123.1
24	E	26	Very low	25.8	Very low	191 Å²	191	144.2 Å²	144.2	89%	0.893	81%	0.811	S	S	*	*				79.4	104.8	127.8	-69.6	-176.8	164.7	0	0	121.8
25	V	22.1	Very low	25.6	Very low	135 Å²	135	142 Å²	142	82%	0.818	81%	0.811	S	S	*	*			trans	-58.9	132.7	150.2	172.4	0	0	0	0	110.9
26	L	27.1	Very low	25.7	Very low	166 Å²	166	141.8 Å²	141.8	87%	0.869	81%	0.814	S	S	*	*			trans	-166	113.3	141.4	-103.6	163.4	0	0	0	113.1
27	A	23.9	Very low	25.6	Very low	84 Å²	84	139.3 Å²	139.3	69%	0.694	81%	0.808	S	S	*	*			trans	27.9	118.9	141.8	0	0	0	0	0	122.7
28	A	22.5	Very low	25.7	Very low	92 Å²	92	136.4 Å²	136.4	76%	0.76	81%	0.812	S	S	*	*				30.3	123.9	123.8	0	0	0	0	0	120.5
29	T	23.8	Very low	25.7	Very low	129 Å²	129	132.6 Å²	132.6	79%	0.791	80%	0.801	S	S	*	*				-168.5	135.2	124.2	14.1	0	0	0	0	113.9
30	Q	27.1	Very low	25.6	Very low	185 Å²	185	135.6 Å²	135.6	86%	0.864	81%	0.81	S	S	*	*			trans	83.9	113.6	146.3	-65.7	178.1	10.2	0	0	122.1
31	Q	23.6	Very low	25.4	Very low	184 Å²	184	133.9 Å²	133.9	86%	0.86	80%	0.804	S	S	*	*			trans	-54.6	-175.1	159.6	-73.7	-166.8	-14.8	0	0	115.2
32	P	35.6	Very low	25.4	Very low	100 Å²	100	130.6 Å²	130.6	65%	0.649	80%	0.795	S	S	*	*			cis	-135.1	179.8	-48.3	36.7	-19.7	0	0	0	112
33	K	23.3	Very low	25.3	Very low	203 Å²	203	135.6 Å²	135.6	88%	0.883	80%	0.8	S	S	*	*			trans	123.4	100.8	156.3	-70.7	174.8	180	178.4	0	113.2
34	S	27	Very low	25.3	Very low	107 Å²	107	139.7 Å²	139.7	75%	0.748	80%	0.802	S	S	*	*			trans	-152.6	118.7	137.1	57.2	0	0	0	0	110.2	L36	S34-L36 PolarHBondContact O-N 3.34Å
35	T	24.7	Very low	25.2	Very low	146 Å²	146	140 Å²	140	90%	0.896	80%	0.796	S	S	*	*			trans	-52.7	123.3	160	40	0	0	0	0	109.9
36	L	26.6	Very low	25.3	Very low	156 Å²	156	141.2 Å²	141.2	82%	0.817	80%	0.798	S	S	*	*			trans	-107.5	139.3	163.9	-84.2	157.3	0	0	0	109.1	S34	S34-L36 PolarHBondContact O-N 3.34Å
37	P	25.8	Very low	25.2	Very low	114 Å²	114	140.7 Å²	140.7	74%	0.74	79%	0.791	S	S	*	*			trans	-81.5	143	-153.7	31.5	-34.5	0	0	0	113	D39	P37-D39 VanDerWaalsContact C-N 3.32Å; P37-D39 PolarHBondContact O-N 3.14Å; P37-D39 VanDerWaalsContact O-N 3.08Å
38	A	25.5	Very low	25.2	Very low	103 Å²	103	147 Å²	147	85%	0.851	80%	0.797	S	S	*	*	S	Bend	trans	-71.8	84.9	159.7	0	0	0	0	0	109.1
39	D	24.2	Very low	25.4	Very low	125 Å²	125	150.3 Å²	150.3	67%	0.668	80%	0.801	S	S	*	*			trans	-168.1	97.5	151.3	-127.7	-25.2	0	0	0	112	P37	P37-D39 VanDerWaalsContact C-N 3.32Å; P37-D39 PolarHBondContact O-N 3.14Å; P37-D39 VanDerWaalsContact O-N 3.08Å
40	T	26.6	Very low	25.4	Very low	153 Å²	153	149.7 Å²	149.7	94%	0.939	80%	0.803	S	S	*	*			trans	-131.2	48.3	155.6	41.3	0	0	0	0	108.5
41	S	24	Very low	25.5	Very low	106 Å²	106	146.9 Å²	146.9	74%	0.741	79%	0.792	S	S	*	*			trans	-103.4	48	173.1	175.9	0	0	0	0	110.7
42	S	22.9	Very low	25.5	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	78%	0.784	S	S	*	*			trans	-165.5	121.8	161.7	57.9	0	0	0	0	109.2
43	M	23.2	Very low	25	Very low	179 Å²	179	145.1 Å²	145.1	88%	0.882	79%	0.79	S	S	*	*			trans	144.4	63.1	160.6	-79	-164.8	-151.1	0	0	110.4
44	F	24.9	Very low	25.1	Very low	176 Å²	176	138.9 Å²	138.9	77%	0.772	77%	0.772	S	S	*	*			trans	-132.7	81.4	159.3	-77.2	-77.2	0	0	0	108.1
45	Y	23.8	Very low	25.2	Very low	197 Å²	197	134.7 Å²	134.7	77%	0.773	75%	0.745	S	S	*	*			trans	-168	104.1	158.9	-121.3	-87.3	0	0	0	109.8
46	N	25.4	Very low	25.5	Very low	161 Å²	161	127.9 Å²	127.9	86%	0.861	70%	0.704	S	S	*	*			trans	-160.3	111.1	135.8	-135.4	-16.7	0	0	0	113.1
47	H	25.3	Very low	25.8	Very low	155 Å²	155	121.4 Å²	121.4	72%	0.718	67%	0.671	S	S	*	*			trans	5.9	147.6	156.4	-114.8	-18.3	0	0	0	124.9
48	R	23.1	Very low	26.1	Very low	217 Å²	217	116 Å²	116	82%	0.819	64%	0.636	S	S	*	*			trans	93.9	80.7	152.4	-65.3	177.3	-175.9	-178.6	0.8	118
49	N	26.3	Very low	26.6	Very low	160 Å²	160	112.2 Å²	112.2	86%	0.856	60%	0.603	S	S	*	*				-164.7	124.7	114.3	-92.8	-18.9	0	0	0	109.5	I51	N49-I51 PolarHBondContact O-N 3.06Å
50	S	25	Very low	27.3	Very low	117 Å²	117	106.3 Å²	106.3	82%	0.818	57%	0.571	S	S	*	*			trans	-68.7	119.8	177.8	51.7	0	0	0	0	110.6
51	I	28.2	Very low	27.7	Very low	126 Å²	126	101.5 Å²	101.5	65%	0.646	54%	0.539	S	S	*	.			trans	-130.1	90.1	156.3	-57.3	179.3	0	0	0	106.2	N49	N49-I51 PolarHBondContact O-N 3.06Å
52	A	24.6	Very low	28.2	Very low	84 Å²	84	96.6 Å²	96.6	69%	0.694	51%	0.505	S	S	*	.			trans	-89.6	130.6	161.9	0	0	0	0	0	107.4
53	E	25.4	Very low	28.7	Very low	163 Å²	163	93.5 Å²	93.5	76%	0.762	48%	0.479	S	S	*	.	S	Bend	trans	154.7	115.1	131.9	-83.1	179.1	-174.9	0	0	110.6
54	S	25.2	Very low	29.2	Very low	72 Å²	72	85.4 Å²	85.4	50%	0.503	44%	0.439	S	S	.	.			trans	45.3	101.7	167	66	0	0	0	0	116.9	L82	S54-L82 VanDerWaalsContact C-CD1 3.45Å; S54-L82 WeakPolarHBondContact O-CD1 3.15Å; S54-L82 WeakPolarHBondContact O-CG 3.37Å
55	G	28.2	Very low	29.5	Very low	18 Å²	18	82.9 Å²	82.9	19%	0.186	43%	0.425	C	S	.	.			trans	172.5	112.3	168.8	0	0	0	0	0	112.5	V57 E79 S325	G55-V57 PolarHBondContact O-N 3.16Å; G55-E79 VanDerWaalsContact CA-OE2 3.27Å; G55-E79 WeakPolarHBondContact CA-OE2 3.4Å; G55-S325 PolarHBondContact O-OG 2.93Å
56	G	30.9	Very low	30	Very low	3 Å²	3	77.1 Å²	77.1	3%	0.031	41%	0.405	C	S	.	.			trans	-59.4	103.3	174	0	0	0	0	0	112.9	Q78 E79 S325	G56-Q78 CarbonylContact O-C 3.57Å; G56-E79 PolarHBondContact N-OE2 3.2Å; G56-S325 VanDerWaalsContact CA-OG 3.25Å; G56-S325 WeakPolarHBondContact CA-OG 3.17Å
57	V	32.6	Very low	30.3	Very low	21 Å²	21	78.1 Å²	78.1	13%	0.127	40%	0.404	C	S	.	.			trans	-87.7	109.2	177.5	179.3	0	0	0	0	109.3	G55 F77 W98 S325	G55-V57 PolarHBondContact O-N 3.16Å; V57-F77 HydrophobicContact CG1-CD1 4.31Å; V57-W98 HydrophobicContact CG1-CH2 4.06Å; V57-W98 HydrophobicContact CG1-CZ2 4.31Å; V57-W98 HydrophobicContact CG2-CZ2 4.17Å; V57-S325 VanDerWaalsContact N-CB 3.29Å; V57-S325 PolarHBondContact N-OG 2.83Å
58	V	33.6	Very low	30.5	Very low	1 Å²	1	78.4 Å²	78.4	1%	0.006	41%	0.406	C	S	.	.			trans	-121.9	110.9	171.4	-157.2	0	0	0	0	109.7	Y60 R76 Q78 D301 H327	V58-Y60 HydrophobicContact CB-CE2 3.8Å; V58-Y60 HydrophobicContact CG1-CD2 4.12Å; V58-Y60 HydrophobicContact CG1-CE1 4.44Å; V58-Y60 HydrophobicContact CG1-CE2 3.26Å; V58-Y60 VanDerWaalsContact CG1-CZ 3.46Å; V58-Y60 WeakPolarHBondContact CG1-OH 3.42Å; V58-R76 CarbonylContact O-C 3.49Å; V58-R76 VanDerWaalsContact O-O 3.06Å; V58-Q78 PolarHBondContact O-OE1 2.96Å; V58-D301 HydrophobicContact CG1-CB 3.64Å; V58-D301 VanDerWaalsContact CG1-CG 3.43Å; V58-D301 WeakPolarHBondContact CG1-OD1 3.44Å; V58-D301 WeakPolarHBondContact CG2-OD1 3.41Å; V58-H327 HydrophobicContact CG2-CB 3.96Å
59	S	35.8	Very low	30.8	Very low	23 Å²	23	77 Å²	77	16%	0.161	40%	0.402	C	S	.	.			trans	-106.6	126.2	-177.3	166.5	0	0	0	0	112	V75 R76 P329 V330	S59-V75 WeakPolarHBondContact OG-CG1 3.19Å; S59-R76 VanDerWaalsContact CA-O 3.28Å; S59-R76 WeakPolarHBondContact CA-O 3.39Å; S59-P329 WeakPolarHBondContact O-CB 3.15Å; S59-V330 CarbonylContact C-O 3.58Å; S59-V330 CarbonylContact O-C 3.5Å; S59-V330 PolarHBondContact O-N 2.81Å; S59-V330 VanDerWaalsContact O-N 3.16Å
60	Y	38.4	Very low	31.1	Very low	0 Å²	0	73 Å²	73	0%	0	39%	0.386	C	S	.	.			trans	-120.3	117.1	-175.9	-62.4	-93.1	0	0	0	113.3	V58 K74 F222 G223 D301 R302 I303 V330	V58-Y60 HydrophobicContact CB-CE2 3.8Å; V58-Y60 HydrophobicContact CG1-CD2 4.12Å; V58-Y60 HydrophobicContact CG1-CE1 4.44Å; V58-Y60 HydrophobicContact CG1-CE2 3.26Å; V58-Y60 VanDerWaalsContact CG1-CZ 3.46Å; V58-Y60 WeakPolarHBondContact CG1-OH 3.42Å; Y60-K74 CarbonylContact O-C 3.55Å; Y60-F222 HydrophobicContact CD1-CB 4.43Å; Y60-F222 HydrophobicContact CE1-CB 4.42Å; Y60-G223 PolarHBondContact OH-O 2.87Å; Y60-G223 VanDerWaalsContact OH-O 3.06Å; Y60-D301 WeakPolarHBondContact OH-CA 3.48Å; Y60-D301 WeakPolarHBondContact OH-CB 3.49Å; Y60-R302 PolarHBondContact OH-N 2.7Å; Y60-I303 HydrophobicContact CD1-CD1 3.41Å; Y60-I303 VanDerWaalsContact CD1-CD1 3.41Å; Y60-I303 HydrophobicContact CD1-CG1 3.31Å; Y60-I303 HydrophobicContact CE1-CD1 3.88Å; Y60-I303 HydrophobicContact CE1-CG1 3.36Å; Y60-V330 WeakPolarHBondContact CA-O 3.35Å; Y60-V330 WeakPolarHBondContact CB-O 3.25Å; Y60-V330 HydrophobicContact CD1-CB 4Å; Y60-V330 HydrophobicContact CD1-CG1 4.23Å; Y60-V330 WeakPolarHBondContact CD1-O 3.46Å; Y60-V330 HydrophobicContact CE1-CB 3.48Å; Y60-V330 VanDerWaalsContact CE1-CB 3.48Å; Y60-V330 HydrophobicContact CE1-CG1 3.75Å; Y60-V330 WeakPolarHBondContact CE1-O 3.48Å
61	I	35.8	Very low	31.6	Very low	53 Å²	53	67.9 Å²	67.9	27%	0.272	35%	0.349	S	S	.	.			trans	-98.7	108.4	170.4	-56.5	176.2	0	0	0	109.8	Q63 R73 K74 V75 R331 A332	I61-Q63 HydrophobicContact CG2-CB 4.48Å; I61-R73 HydrophobicContact CG2-CB 4.45Å; I61-R73 HydrophobicContact CG2-CG 4.16Å; I61-K74 WeakPolarHBondContact CA-O 3.47Å; I61-K74 WeakPolarHBondContact CG1-O 3.32Å; I61-V75 HydrophobicContact CG1-CG2 4.24Å; I61-R331 HydrophobicContact CB-CB 4.25Å; I61-A332 CarbonylContact C-O 3.59Å; I61-A332 CarbonylContact O-C 3.55Å; I61-A332 VanDerWaalsContact O-C 3.3Å; I61-A332 PolarHBondContact O-N 2.96Å
62	L	33.2	Very low	31.9	Very low	2 Å²	2	62.8 Å²	62.8	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	115.9	164.6	-77.9	166.1	0	0	0	108.6	K74 F220 F222 I303 A332 F334	L62-K74 HydrophobicContact CB-CB 4.41Å; L62-K74 HydrophobicContact CB-CD 4.23Å; L62-K74 HydrophobicContact CD1-CD 4.42Å; L62-K74 PolarHBondContact O-N 3.23Å; L62-F220 HydrophobicContact CD1-CB 4.11Å; L62-F220 HydrophobicContact CD1-CD1 4.35Å; L62-F220 HydrophobicContact CD1-CG 4.31Å; L62-F220 HydrophobicContact CD2-CD1 4.03Å; L62-F220 HydrophobicContact CD2-CE1 4.39Å; L62-F222 HydrophobicContact CD1-CD1 3.81Å; L62-F222 HydrophobicContact CD1-CE1 3.83Å; L62-I303 HydrophobicContact CD2-CG2 4.34Å; L62-A332 WeakPolarHBondContact CA-O 3.36Å; L62-F334 HydrophobicContact CD2-CD2 3.09Å; L62-F334 HydrophobicContact CD2-CE2 3.05Å; L62-F334 HydrophobicContact CD2-CG 4.3Å; L62-F334 HydrophobicContact CD2-CZ 4.26Å
63	Q	34.5	Very low	32.5	Very low	35 Å²	35	60.9 Å²	60.9	16%	0.164	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.3	176.4	170.7	-176.8	4	0	0	108.3	I61 T71 Y72 R73 L333 F334	I61-Q63 HydrophobicContact CG2-CB 4.48Å; Q63-T71 VanDerWaalsContact CG-CB 3.48Å; Q63-T71 HydrophobicContact CG-CG2 3.19Å; Q63-T71 VanDerWaalsContact NE2-CB 3.31Å; Q63-T71 VanDerWaalsContact NE2-CG2 3.32Å; Q63-T71 PolarHBondContact NE2-OG1 3.16Å; Q63-Y72 WeakPolarHBondContact CA-O 3.38Å; Q63-Y72 WeakPolarHBondContact CB-O 3.39Å; Q63-Y72 WeakPolarHBondContact CG-O 3.5Å; Q63-R73 HydrophobicContact CB-CG 4.34Å; Q63-R73 HydrophobicContact CG-CG 4.46Å; Q63-L333 HydrophobicContact CB-CD1 3.15Å; Q63-L333 HydrophobicContact CG-CD1 3.15Å; Q63-L333 VanDerWaalsContact O-CD1 3.29Å; Q63-L333 WeakPolarHBondContact O-CD1 3.37Å; Q63-F334 CarbonylContact C-O 3.59Å; Q63-F334 CarbonylContact O-C 3.58Å; Q63-F334 WeakPolarHBondContact O-CA 3.42Å; Q63-F334 PolarHBondContact O-N 3Å
64	L	32.4	Very low	33	Very low	9 Å²	9	53.3 Å²	53.3	5%	0.047	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.9	-171.8	-72.6	162.1	0	0	0	109.8	T71 Y72 F220 F334 L336	L64-T71 WeakPolarHBondContact O-CA 3.41Å; L64-T71 VanDerWaalsContact O-CG2 3.22Å; L64-T71 WeakPolarHBondContact O-CG2 3.26Å; L64-Y72 HydrophobicContact CB-CD2 3.9Å; L64-Y72 HydrophobicContact CB-CE2 4.38Å; L64-F220 HydrophobicContact CD2-CZ 4.11Å; L64-F334 WeakPolarHBondContact CA-O 3.5Å; L64-F334 HydrophobicContact CD2-CB 3.28Å; L64-F334 HydrophobicContact CD2-CG 4.45Å; L64-F334 HydrophobicContact CG-CB 4.35Å; L64-L336 HydrophobicContact CB-CD2 4.39Å; L64-L336 HydrophobicContact CB-CG 4.25Å; L64-L336 HydrophobicContact CD1-CD2 3.37Å; L64-L336 HydrophobicContact CD1-CG 4.13Å; L64-L336 HydrophobicContact CD2-CB 4.04Å; L64-L336 HydrophobicContact CD2-CD2 3.54Å; L64-L336 HydrophobicContact CD2-CG 3.69Å; L64-L336 HydrophobicContact CG-CD2 3.92Å; L64-L336 HydrophobicContact CG-CG 4.22Å
65	R	31.2	Very low	33.2	Very low	124 Å²	124	50.5 Å²	50.5	47%	0.468	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	147	178.6	-156.3	176.5	-170.5	-179.9	1.2	110.3	T71 F334 E335 L336	R65-T71 HydrophobicContact CB-CG2 4.25Å; R65-F334 PolarHBondContact N-O 3.32Å; R65-E335 HydrophobicContact CB-CB 4.38Å; R65-E335 HydrophobicContact CB-CG 4.08Å; R65-E335 WeakPolarHBondContact O-CG 3.35Å; R65-L336 PolarHBondContact O-N 3.29Å
66	E	35.7	Very low	33.4	Very low	76 Å²	76	49.7 Å²	49.7	36%	0.355	23%	0.233	S	C	.	.			trans	-116.3	156.4	162.4	-164.1	169	-146.6	0	0	106.8	E68	E66-E68 VanDerWaalsContact C-N 3.26Å; E66-E68 PolarHBondContact O-N 3.47Å
67	Q	31.6	Very low	33.5	Very low	182 Å²	182	49.9 Å²	49.9	85%	0.85	23%	0.233	S	C	*	.	S	Bend	trans	-64.6	84.3	-179.9	-76.2	-171.2	-9.7	0	0	110.9
68	E	28.9	Very low	33.3	Very low	161 Å²	161	49 Å²	49	75%	0.752	23%	0.227	S	C	*	.	S	Bend	trans	154.4	-16.3	137.4	-81.9	-169.6	148.3	0	0	114.2	E66	E66-E68 VanDerWaalsContact C-N 3.26Å; E66-E68 PolarHBondContact O-N 3.47Å
69	Y	28.9	Very low	33.4	Very low	186 Å²	186	51.2 Å²	51.2	73%	0.729	24%	0.238	S	C	*	.	S	Bend	trans	-143.5	142.8	172.8	-66.5	-87.7	0	0	0	113.3
70	C	33.6	Very low	33.2	Very low	76 Å²	76	50.3 Å²	50.3	51%	0.514	23%	0.231	S	C	.	.			trans	-64.3	173	-174.1	-92.2	0	0	0	0	115.4
71	T	35.9	Very low	32.8	Very low	10 Å²	10	51.4 Å²	51.4	6%	0.061	24%	0.237	C	C	.	.			cis	-168.4	134.9	-48	8.8	0	0	0	0	106.8	Q63 L64 R65 Y112	Q63-T71 VanDerWaalsContact CG-CB 3.48Å; Q63-T71 HydrophobicContact CG-CG2 3.19Å; Q63-T71 VanDerWaalsContact NE2-CB 3.31Å; Q63-T71 VanDerWaalsContact NE2-CG2 3.32Å; Q63-T71 PolarHBondContact NE2-OG1 3.16Å; L64-T71 WeakPolarHBondContact O-CA 3.41Å; L64-T71 VanDerWaalsContact O-CG2 3.22Å; L64-T71 WeakPolarHBondContact O-CG2 3.26Å; R65-T71 HydrophobicContact CB-CG2 4.25Å; T71-Y112 WeakPolarHBondContact O-CE1 3.45Å; T71-Y112 PolarHBondContact O-OH 2.8Å
72	Y	34.5	Very low	32.8	Very low	19 Å²	19	52.9 Å²	52.9	8%	0.075	25%	0.245	C	C	.	.			trans	-76.7	157.6	170.8	-43	-101.8	0	0	0	111.1	Q63 L64 A129 L133 I139 I167	Q63-Y72 WeakPolarHBondContact CA-O 3.38Å; Q63-Y72 WeakPolarHBondContact CB-O 3.39Å; Q63-Y72 WeakPolarHBondContact CG-O 3.5Å; L64-Y72 HydrophobicContact CB-CD2 3.9Å; L64-Y72 HydrophobicContact CB-CE2 4.38Å; Y72-A129 HydrophobicContact CD1-CB 4.08Å; Y72-A129 HydrophobicContact CE1-CB 4.42Å; Y72-L133 HydrophobicContact CD1-CB 4.41Å; Y72-L133 HydrophobicContact CD1-CD1 3.75Å; Y72-L133 HydrophobicContact CD2-CD1 3.98Å; Y72-L133 HydrophobicContact CE1-CB 3.58Å; Y72-L133 HydrophobicContact CE1-CD1 3.16Å; Y72-L133 HydrophobicContact CE1-CD2 4.28Å; Y72-L133 HydrophobicContact CE1-CG 3.75Å; Y72-L133 HydrophobicContact CE2-CD1 3.45Å; Y72-L133 VanDerWaalsContact CE2-CD1 3.45Å; Y72-L133 HydrophobicContact CG-CD1 4.12Å; Y72-L133 WeakPolarHBondContact OH-CD1 3.28Å; Y72-L133 WeakPolarHBondContact OH-CD2 3.11Å; Y72-L133 WeakPolarHBondContact OH-CG 3.44Å; Y72-I139 HydrophobicContact CD1-CD1 4.06Å; Y72-I139 HydrophobicContact CE1-CD1 3.73Å; Y72-I139 HydrophobicContact CE1-CG1 4.23Å; Y72-I167 HydrophobicContact CE1-CD1 3.95Å; Y72-I167 HydrophobicContact CE2-CD1 3.7Å; Y72-I167 WeakPolarHBondContact OH-CD1 3.25Å
73	R	37.3	Very low	32.7	Very low	44 Å²	44	54.8 Å²	54.8	17%	0.166	26%	0.259	C	S	.	.			trans	-136.6	127.6	170.6	-80.3	-171.2	163.1	135.6	-5.2	111.4	I61 Q63 L106 L109 Y112 Y128	I61-R73 HydrophobicContact CG2-CB 4.45Å; I61-R73 HydrophobicContact CG2-CG 4.16Å; Q63-R73 HydrophobicContact CB-CG 4.34Å; Q63-R73 HydrophobicContact CG-CG 4.46Å; R73-L106 HydrophobicContact CB-CD2 3.39Å; R73-L106 HydrophobicContact CG-CD2 4.14Å; R73-L109 VanDerWaalsContact CZ-CD1 3.48Å; R73-Y112 HydrophobicContact CB-CD1 4.49Å; R73-Y112 HydrophobicContact CB-CE1 3.9Å; R73-Y112 HydrophobicContact CG-CE1 4.18Å; R73-Y128 WeakPolarHBondContact O-CB 3.31Å
74	K	35.5	Very low	32.6	Very low	4 Å²	4	61.4 Å²	61.4	2%	0.017	29%	0.289	C	S	.	.			trans	-104.2	152.2	173.7	-74.6	170.4	-177.3	151.8	0	110.8	Y60 I61 L62 L127 L174	Y60-K74 CarbonylContact O-C 3.55Å; I61-K74 WeakPolarHBondContact CA-O 3.47Å; I61-K74 WeakPolarHBondContact CG1-O 3.32Å; L62-K74 HydrophobicContact CB-CB 4.41Å; L62-K74 HydrophobicContact CB-CD 4.23Å; L62-K74 HydrophobicContact CD1-CD 4.42Å; L62-K74 PolarHBondContact O-N 3.23Å; K74-L127 HydrophobicContact CD-CD1 4.33Å; K74-L127 HydrophobicContact CG-CD1 4.39Å; K74-L174 HydrophobicContact CD-CD1 3.85Å
75	V	29.3	Very low	32.4	Very low	14 Å²	14	68 Å²	68	9%	0.085	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.4	168.3	-172.3	0	0	0	0	108.3	S59 I61 F77 V102 L126	S59-V75 WeakPolarHBondContact OG-CG1 3.19Å; I61-V75 HydrophobicContact CG1-CG2 4.24Å; V75-F77 HydrophobicContact CG1-CE2 4.26Å; V75-F77 HydrophobicContact CG1-CZ 3.84Å; V75-V102 HydrophobicContact CB-CB 4.07Å; V75-V102 HydrophobicContact CB-CG1 3.51Å; V75-V102 HydrophobicContact CB-CG2 3.42Å; V75-V102 VanDerWaalsContact CB-CG2 3.42Å; V75-V102 HydrophobicContact CG1-CB 4.42Å; V75-V102 HydrophobicContact CG1-CG1 4.35Å; V75-V102 HydrophobicContact CG1-CG2 3.34Å; V75-V102 HydrophobicContact CG2-CB 4.27Å; V75-V102 HydrophobicContact CG2-CG1 3.45Å; V75-V102 VanDerWaalsContact CG2-CG1 3.45Å; V75-V102 HydrophobicContact CG2-CG2 4.03Å; V75-L126 WeakPolarHBondContact O-CB 3.47Å
76	R	32.6	Very low	32.7	Very low	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162	-170.1	-59.9	-175.6	-165.8	-121.6	5.7	111.9	V58 S59	V58-R76 CarbonylContact O-C 3.49Å; V58-R76 VanDerWaalsContact O-O 3.06Å; S59-R76 VanDerWaalsContact CA-O 3.28Å; S59-R76 WeakPolarHBondContact CA-O 3.39Å
77	F	33.1	Very low	32.5	Very low	7 Å²	7	64.5 Å²	64.5	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.5	179.2	-54.6	-74.4	0	0	0	110.4	V57 V75 L80 W98 V102 Y124 L126	V57-F77 HydrophobicContact CG1-CD1 4.31Å; V75-F77 HydrophobicContact CG1-CE2 4.26Å; V75-F77 HydrophobicContact CG1-CZ 3.84Å; F77-L80 HydrophobicContact CB-CD1 3.4Å; F77-L80 VanDerWaalsContact CB-CD1 3.4Å; F77-L80 HydrophobicContact CD2-CD1 4.19Å; F77-L80 HydrophobicContact CG-CD1 3.94Å; F77-W98 AromaticContact CD1-CD2 3.6Å; F77-W98 HydrophobicContact CD1-CD2 3.6Å; F77-W98 AromaticContact CD1-CE2 3.77Å; F77-W98 AromaticContact CD1-CE3 3.66Å; F77-W98 HydrophobicContact CD1-CE3 3.66Å; F77-W98 HydrophobicContact CD1-CG 4.22Å; F77-W98 AromaticContact CD1-CH2 3.92Å; F77-W98 HydrophobicContact CD1-CH2 3.92Å; F77-W98 AromaticContact CD1-CZ2 3.91Å; F77-W98 HydrophobicContact CD1-CZ2 3.91Å; F77-W98 AromaticContact CD1-CZ3 3.81Å; F77-W98 HydrophobicContact CD1-CZ3 3.81Å; F77-W98 HydrophobicContact CD2-CB 3.72Å; F77-W98 HydrophobicContact CD2-CD2 4.02Å; F77-W98 HydrophobicContact CD2-CE3 4.3Å; F77-W98 AromaticContact CD2-CG 3.83Å; F77-W98 HydrophobicContact CD2-CG 3.83Å; F77-W98 AromaticContact CE1-CD2 3.46Å; F77-W98 HydrophobicContact CE1-CD2 3.46Å; F77-W98 VanDerWaalsContact CE1-CD2 3.46Å; F77-W98 AromaticContact CE1-CE2 3.97Å; F77-W98 AromaticContact CE1-CE3 2.98Å; F77-W98 HydrophobicContact CE1-CE3 2.98Å; F77-W98 HydrophobicContact CE1-CG 4.29Å; F77-W98 AromaticContact CE1-CH2 3.59Å; F77-W98 HydrophobicContact CE1-CH2 3.59Å; F77-W98 HydrophobicContact CE1-CZ2 4.03Å; F77-W98 AromaticContact CE1-CZ3 3.06Å; F77-W98 HydrophobicContact CE1-CZ3 3.06Å; F77-W98 HydrophobicContact CE2-CB 3.56Å; F77-W98 AromaticContact CE2-CD2 3.85Å; F77-W98 HydrophobicContact CE2-CD2 3.85Å; F77-W98 AromaticContact CE2-CE3 3.71Å; F77-W98 HydrophobicContact CE2-CE3 3.71Å; F77-W98 AromaticContact CE2-CG 3.87Å; F77-W98 HydrophobicContact CE2-CG 3.87Å; F77-W98 HydrophobicContact CG-CB 4.4Å; F77-W98 AromaticContact CG-CD2 3.91Å; F77-W98 HydrophobicContact CG-CD2 3.91Å; F77-W98 HydrophobicContact CG-CE3 4.29Å; F77-W98 HydrophobicContact CG-CG 4.02Å; F77-W98 HydrophobicContact CZ-CB 4.16Å; F77-W98 AromaticContact CZ-CD2 3.58Å; F77-W98 HydrophobicContact CZ-CD2 3.58Å; F77-W98 AromaticContact CZ-CE3 3Å; F77-W98 HydrophobicContact CZ-CE3 3Å; F77-W98 HydrophobicContact CZ-CG 4.11Å; F77-W98 HydrophobicContact CZ-CH2 4.44Å; F77-W98 AromaticContact CZ-CZ3 3.53Å; F77-W98 HydrophobicContact CZ-CZ3 3.53Å; F77-V102 HydrophobicContact CE2-CG2 3.55Å; F77-V102 HydrophobicContact CZ-CG2 3.53Å; F77-Y124 HydrophobicContact CD2-CD1 4.05Å; F77-Y124 PolarHBondContact O-N 3.17Å; F77-L126 HydrophobicContact CE2-CD1 4.43Å
78	Q	27.3	Very low	32.5	Very low	3 Å²	3	62.3 Å²	62.3	1%	0.014	30%	0.302	C	S	.	.	S	Bend	trans	-119.7	160.7	164.3	-64.7	80.3	11.6	0	0	108.4	G56 V58 L80 G122 N176	G56-Q78 CarbonylContact O-C 3.57Å; V58-Q78 PolarHBondContact O-OE1 2.96Å; Q78-L80 VanDerWaalsContact C-N 3.27Å; Q78-L80 PolarHBondContact O-N 3.35Å; Q78-G122 CarbonylContact C-O 3.59Å; Q78-G122 VanDerWaalsContact C-O 3.3Å; Q78-G122 VanDerWaalsContact CA-O 3.23Å; Q78-G122 WeakPolarHBondContact CA-O 3.34Å; Q78-N176 PolarHBondContact NE2-ND2 3.48Å; Q78-N176 PolarHBondContact NE2-OD1 3.37Å
79	E	35.2	Very low	32.7	Very low	47 Å²	47	61.6 Å²	61.6	22%	0.22	30%	0.296	C	S	.	.	S	Bend	trans	51.7	41	-178.3	-53.4	-161.8	158.8	0	0	114.5	G55 G56 D81 L82 G122 H178	G55-E79 VanDerWaalsContact CA-OE2 3.27Å; G55-E79 WeakPolarHBondContact CA-OE2 3.4Å; G56-E79 PolarHBondContact N-OE2 3.2Å; E79-D81 VanDerWaalsContact C-N 3.27Å; E79-D81 PolarHBondContact O-N 3.46Å; E79-L82 HydrophobicContact CB-CD2 4.35Å; E79-L82 HydrophobicContact CB-CG 4.42Å; E79-G122 PolarHBondContact N-O 2.72Å; E79-H178 IonicContact OE1-CE1 3.02Å; E79-H178 PolarHBondContact OE1-CE1 3Å; E79-H178 IonicContact OE1-NE2 3.98Å
80	L	32.9	Very low	33.4	Very low	5 Å²	5	59.1 Å²	59.1	3%	0.026	30%	0.296	C	S	.	.			trans	-52.4	-43.3	-176.6	-145.8	94.1	0	0	0	113.3	F77 Q78 R94 E95 W98 G122 Y124	F77-L80 HydrophobicContact CB-CD1 3.4Å; F77-L80 VanDerWaalsContact CB-CD1 3.4Å; F77-L80 HydrophobicContact CD2-CD1 4.19Å; F77-L80 HydrophobicContact CG-CD1 3.94Å; Q78-L80 VanDerWaalsContact C-N 3.27Å; Q78-L80 PolarHBondContact O-N 3.35Å; L80-R94 HydrophobicContact CD2-CB 3.81Å; L80-R94 HydrophobicContact CG-CB 4.2Å; L80-R94 WeakPolarHBondContact O-CD 3.35Å; L80-R94 PolarHBondContact O-NH1 3.21Å; L80-E95 VanDerWaalsContact CD2-CA 3.47Å; L80-E95 HydrophobicContact CD2-CB 4.1Å; L80-E95 VanDerWaalsContact CD2-N 3.33Å; L80-W98 HydrophobicContact CD1-CB 4.3Å; L80-W98 HydrophobicContact CD1-CG 3.88Å; L80-G122 PolarHBondContact N-O 3.43Å; L80-Y124 HydrophobicContact CD1-CD1 4.07Å
81	D	30	Very low	33.9	Very low	22 Å²	22	61.6 Å²	61.6	12%	0.118	31%	0.309	C	S	.	.			trans	-146	118.2	-179.7	-158.1	-24.7	0	0	0	109.3	E79 S83 T86 R94	E79-D81 VanDerWaalsContact C-N 3.27Å; E79-D81 PolarHBondContact O-N 3.46Å; D81-S83 VanDerWaalsContact OD1-CB 3.25Å; D81-S83 WeakPolarHBondContact OD1-CB 3.34Å; D81-S83 PolarHBondContact OD1-N 3.11Å; D81-S83 PolarHBondContact OD1-OG 3.32Å; D81-T86 HydrophobicContact CB-CG2 4.27Å; D81-T86 WeakPolarHBondContact CB-OG1 2.91Å; D81-T86 PolarHBondContact OD1-OG1 3.32Å; D81-T86 PolarHBondContact OD2-OG1 2.99Å; D81-R94 IonicContact OD1-CZ 3.98Å; D81-R94 IonicContact OD1-NE 3.88Å; D81-R94 IonicContact OD2-NE 3.83Å
82	L	35.7	Very low	35	Very low	84 Å²	84	62 Å²	62	44%	0.44	31%	0.311	S	S	.	.			trans	-101	8.8	176.6	-69.3	-176.9	0	0	0	112.4	S54 E79	S54-L82 VanDerWaalsContact C-CD1 3.45Å; S54-L82 WeakPolarHBondContact O-CD1 3.15Å; S54-L82 WeakPolarHBondContact O-CG 3.37Å; E79-L82 HydrophobicContact CB-CD2 4.35Å; E79-L82 HydrophobicContact CB-CG 4.42Å
83	S	31.4	Very low	36.6	Very low	43 Å²	43	66.4 Å²	66.4	30%	0.301	34%	0.34	S	S	.	.	S	Bend	trans	-68.9	146.5	178.2	68.7	0	0	0	0	111.9	D81 Q85 T86	D81-S83 VanDerWaalsContact OD1-CB 3.25Å; D81-S83 WeakPolarHBondContact OD1-CB 3.34Å; D81-S83 PolarHBondContact OD1-N 3.11Å; D81-S83 PolarHBondContact OD1-OG 3.32Å; S83-Q85 PolarHBondContact O-N 3.39Å; S83-T86 PolarHBondContact O-N 3.2Å; S83-T86 VanDerWaalsContact O-N 3.15Å; S83-T86 PolarHBondContact O-OG1 2.81Å; S83-T86 PolarHBondContact OG-OG1 2.88Å
84	Q	32	Very low	38	Very low	173 Å²	173	67.7 Å²	67.7	81%	0.808	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-58.9	-19.8	176.8	-72	-173.2	-1.6	0	0	113	F87	Q84-F87 PolarHBondContact O-N 3.07Å
85	Q	28.6	Very low	39.7	Very low	149 Å²	149	69 Å²	69	70%	0.696	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-71	-28.5	178.8	-70.4	-179.4	-11.5	0	0	113.1	S83 F87 L88 F89	S83-Q85 PolarHBondContact O-N 3.39Å; Q85-F87 PolarHBondContact O-N 3.16Å; Q85-L88 PolarHBondContact O-N 3.1Å; Q85-L88 VanDerWaalsContact O-N 3.15Å; Q85-F89 PolarHBondContact O-N 2.97Å
86	T	36.4	Very low	42.1	Very low	12 Å²	12	73.4 Å²	73.4	7%	0.074	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-70.9	-17.6	178.5	-40.6	0	0	0	0	113.1	D81 S83 L88 T92 I121	D81-T86 HydrophobicContact CB-CG2 4.27Å; D81-T86 WeakPolarHBondContact CB-OG1 2.91Å; D81-T86 PolarHBondContact OD1-OG1 3.32Å; D81-T86 PolarHBondContact OD2-OG1 2.99Å; S83-T86 PolarHBondContact O-N 3.2Å; S83-T86 VanDerWaalsContact O-N 3.15Å; S83-T86 PolarHBondContact O-OG1 2.81Å; S83-T86 PolarHBondContact OG-OG1 2.88Å; T86-L88 PolarHBondContact O-N 3.22Å; T86-T92 HydrophobicContact CG2-CG2 3.76Å; T86-I121 HydrophobicContact CG2-CG2 4.03Å
87	F	32	Very low	44.2	Very low	113 Å²	113	77.8 Å²	77.8	50%	0.496	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-71.6	-15.4	172.5	-79	-91.2	0	0	0	113.2	Q84 Q85	Q84-F87 PolarHBondContact O-N 3.07Å; Q85-F87 PolarHBondContact O-N 3.16Å
88	L	31.5	Very low	46.1	Very low	136 Å²	136	80.4 Å²	80.4	71%	0.712	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	-17.9	-170.3	-71.2	164.4	0	0	0	114.5	Q85 T86	Q85-L88 PolarHBondContact O-N 3.1Å; Q85-L88 VanDerWaalsContact O-N 3.15Å; T86-L88 PolarHBondContact O-N 3.22Å
89	F	32.9	Very low	48.4	Very low	147 Å²	147	80.3 Å²	80.3	65%	0.645	40%	0.401	S	S	*	.			trans	-135.7	140.2	-175.5	-59.2	-76.5	0	0	0	113.3	Q85 T91	Q85-F89 PolarHBondContact O-N 2.97Å; F89-T91 PolarHBondContact O-N 2.87Å
90	D	43.3	Very low	50.6	Low	134 Å²	134	86.6 Å²	86.6	72%	0.717	42%	0.422	S	S	*	.	S	Bend	trans	-89.5	5.9	-167.9	-149.5	12.2	0	0	0	114.9	R119	D90-R119 PolarHBondContact O-NH2 3.45Å; D90-R119 IonicContact OD1-CZ 3.8Å; D90-R119 IonicContact OD1-NH2 2.88Å; D90-R119 PolarHBondContact OD1-NH2 2.88Å
91	T	45.8	Very low	52.9	Low	128 Å²	128	89.4 Å²	89.4	79%	0.785	44%	0.44	S	S	*	.			trans	-127.4	124.3	177.4	35.7	0	0	0	0	110.5	F89	F89-T91 PolarHBondContact O-N 2.87Å
92	T	58.9	Low	55.1	Low	19 Å²	19	88.6 Å²	88.6	12%	0.117	44%	0.436	C	S	.	.			trans	-121.1	136.8	175.3	75.6	0	0	0	0	109.8	T86 R94 E95	T86-T92 HydrophobicContact CG2-CG2 3.76Å; T92-R94 PolarHBondContact O-N 3.33Å; T92-E95 PolarHBondContact O-N 2.61Å; T92-E95 PolarHBondContact OG1-N 2.58Å
93	V	66.5	Low	57.1	Low	110 Å²	110	88.3 Å²	88.3	67%	0.667	43%	0.431	S	S	*	.	H	α-helix	trans	-59.5	-28.8	174.1	179.1	0	0	0	0	111.1	E95 E96 Q97	V93-E95 PolarHBondContact O-N 3.05Å; V93-E96 PolarHBondContact O-N 2.99Å; V93-Q97 HydrophobicContact CG1-CG 4.32Å; V93-Q97 WeakPolarHBondContact O-CG 3.3Å; V93-Q97 PolarHBondContact O-N 3.21Å
94	R	67.8	Low	59.4	Low	72 Å²	72	89.5 Å²	89.5	27%	0.272	44%	0.436	S	S	.	.	H	α-helix	trans	-66.4	-33.9	-179.3	-63.1	-166.8	-178.1	-164.1	-1.1	112.8	L80 D81 T92 E96 Q97 W98	L80-R94 HydrophobicContact CD2-CB 3.81Å; L80-R94 HydrophobicContact CG-CB 4.2Å; L80-R94 WeakPolarHBondContact O-CD 3.35Å; L80-R94 PolarHBondContact O-NH1 3.21Å; D81-R94 IonicContact OD1-CZ 3.98Å; D81-R94 IonicContact OD1-NE 3.88Å; D81-R94 IonicContact OD2-NE 3.83Å; T92-R94 PolarHBondContact O-N 3.33Å; R94-E96 PolarHBondContact O-N 2.88Å; R94-Q97 PolarHBondContact O-N 3.44Å; R94-W98 WeakPolarHBondContact O-CB 3.23Å; R94-W98 PolarHBondContact O-N 3.05Å
95	E	71.7	Confident	61.5	Low	32 Å²	32	85.4 Å²	85.4	15%	0.15	42%	0.417	C	S	.	.	H	α-helix	trans	-57.4	-50.3	177.6	-174.4	-178.3	151	0	0	111.2	L80 T92 V93 W98 A99 R117 R119 Y124	L80-E95 VanDerWaalsContact CD2-CA 3.47Å; L80-E95 HydrophobicContact CD2-CB 4.1Å; L80-E95 VanDerWaalsContact CD2-N 3.33Å; T92-E95 PolarHBondContact O-N 2.61Å; T92-E95 PolarHBondContact OG1-N 2.58Å; V93-E95 PolarHBondContact O-N 3.05Å; E95-W98 PolarHBondContact O-N 3.18Å; E95-A99 PolarHBondContact O-N 3.13Å; E95-R117 VanDerWaalsContact OE1-CD 3.31Å; E95-R117 WeakPolarHBondContact OE1-CD 3.36Å; E95-R117 IonicContact OE1-NH1 3.76Å; E95-R119 VanDerWaalsContact OE2-CD 3.31Å; E95-R119 WeakPolarHBondContact OE2-CD 3.26Å; E95-R119 IonicContact OE2-CZ 3.06Å; E95-R119 IonicContact OE2-NE 3.62Å; E95-R119 PolarHBondContact OE2-NE 3.12Å; E95-Y124 HydrophobicContact CG-CE1 4.01Å; E95-Y124 HydrophobicContact CG-CE2 3.8Å; E95-Y124 WeakPolarHBondContact CG-OH 3.17Å
96	E	77.8	Confident	63.7	Low	105 Å²	105	78.5 Å²	78.5	49%	0.491	39%	0.385	S	S	.	.	H	α-helix	trans	-72.1	-37	-177.1	-165.2	57.3	-153.3	0	0	111.8	V93 R94 W98 A99 R100 R117	V93-E96 PolarHBondContact O-N 2.99Å; R94-E96 PolarHBondContact O-N 2.88Å; E96-W98 VanDerWaalsContact C-N 3.3Å; E96-W98 PolarHBondContact O-N 3.33Å; E96-A99 PolarHBondContact O-N 3.21Å; E96-R100 WeakPolarHBondContact O-CB 3.03Å; E96-R100 PolarHBondContact O-N 3.42Å; E96-R117 IonicContact OE2-CZ 3.32Å; E96-R117 IonicContact OE2-NH1 3.23Å; E96-R117 PolarHBondContact OE2-NH1 2.65Å; E96-R117 IonicContact OE2-NH2 2.72Å
97	Q	77.8	Confident	65.5	Low	93 Å²	93	81.9 Å²	81.9	44%	0.435	40%	0.402	S	S	.	.	H	α-helix	trans	-59.3	-42.9	174.3	-75.3	175.4	-13.8	0	0	112	V93 R94 T101	V93-Q97 HydrophobicContact CG1-CG 4.32Å; V93-Q97 WeakPolarHBondContact O-CG 3.3Å; V93-Q97 PolarHBondContact O-N 3.21Å; R94-Q97 PolarHBondContact O-N 3.44Å; Q97-T101 WeakPolarHBondContact O-CB 3.25Å; Q97-T101 PolarHBondContact O-N 2.99Å; Q97-T101 PolarHBondContact O-OG1 3.22Å
98	W	72.6	Confident	67.7	Low	61 Å²	61	83.7 Å²	83.7	23%	0.231	41%	0.41	C	S	.	.	H	α-helix	trans	-70.5	-48.3	178.7	-85.2	119.5	0	0	0	112.2	V57 F77 L80 R94 E95 E96 R100 T101 V102	V57-W98 HydrophobicContact CG1-CH2 4.06Å; V57-W98 HydrophobicContact CG1-CZ2 4.31Å; V57-W98 HydrophobicContact CG2-CZ2 4.17Å; F77-W98 AromaticContact CD1-CD2 3.6Å; F77-W98 HydrophobicContact CD1-CD2 3.6Å; F77-W98 AromaticContact CD1-CE2 3.77Å; F77-W98 AromaticContact CD1-CE3 3.66Å; F77-W98 HydrophobicContact CD1-CE3 3.66Å; F77-W98 HydrophobicContact CD1-CG 4.22Å; F77-W98 AromaticContact CD1-CH2 3.92Å; F77-W98 HydrophobicContact CD1-CH2 3.92Å; F77-W98 AromaticContact CD1-CZ2 3.91Å; F77-W98 HydrophobicContact CD1-CZ2 3.91Å; F77-W98 AromaticContact CD1-CZ3 3.81Å; F77-W98 HydrophobicContact CD1-CZ3 3.81Å; F77-W98 HydrophobicContact CD2-CB 3.72Å; F77-W98 HydrophobicContact CD2-CD2 4.02Å; F77-W98 HydrophobicContact CD2-CE3 4.3Å; F77-W98 AromaticContact CD2-CG 3.83Å; F77-W98 HydrophobicContact CD2-CG 3.83Å; F77-W98 AromaticContact CE1-CD2 3.46Å; F77-W98 HydrophobicContact CE1-CD2 3.46Å; F77-W98 VanDerWaalsContact CE1-CD2 3.46Å; F77-W98 AromaticContact CE1-CE2 3.97Å; F77-W98 AromaticContact CE1-CE3 2.98Å; F77-W98 HydrophobicContact CE1-CE3 2.98Å; F77-W98 HydrophobicContact CE1-CG 4.29Å; F77-W98 AromaticContact CE1-CH2 3.59Å; F77-W98 HydrophobicContact CE1-CH2 3.59Å; F77-W98 HydrophobicContact CE1-CZ2 4.03Å; F77-W98 AromaticContact CE1-CZ3 3.06Å; F77-W98 HydrophobicContact CE1-CZ3 3.06Å; F77-W98 HydrophobicContact CE2-CB 3.56Å; F77-W98 AromaticContact CE2-CD2 3.85Å; F77-W98 HydrophobicContact CE2-CD2 3.85Å; F77-W98 AromaticContact CE2-CE3 3.71Å; F77-W98 HydrophobicContact CE2-CE3 3.71Å; F77-W98 AromaticContact CE2-CG 3.87Å; F77-W98 HydrophobicContact CE2-CG 3.87Å; F77-W98 HydrophobicContact CG-CB 4.4Å; F77-W98 AromaticContact CG-CD2 3.91Å; F77-W98 HydrophobicContact CG-CD2 3.91Å; F77-W98 HydrophobicContact CG-CE3 4.29Å; F77-W98 HydrophobicContact CG-CG 4.02Å; F77-W98 HydrophobicContact CZ-CB 4.16Å; F77-W98 AromaticContact CZ-CD2 3.58Å; F77-W98 HydrophobicContact CZ-CD2 3.58Å; F77-W98 AromaticContact CZ-CE3 3Å; F77-W98 HydrophobicContact CZ-CE3 3Å; F77-W98 HydrophobicContact CZ-CG 4.11Å; F77-W98 HydrophobicContact CZ-CH2 4.44Å; F77-W98 AromaticContact CZ-CZ3 3.53Å; F77-W98 HydrophobicContact CZ-CZ3 3.53Å; L80-W98 HydrophobicContact CD1-CB 4.3Å; L80-W98 HydrophobicContact CD1-CG 3.88Å; R94-W98 WeakPolarHBondContact O-CB 3.23Å; R94-W98 PolarHBondContact O-N 3.05Å; E95-W98 PolarHBondContact O-N 3.18Å; E96-W98 VanDerWaalsContact C-N 3.3Å; E96-W98 PolarHBondContact O-N 3.33Å; W98-R100 VanDerWaalsContact C-N 3.26Å; W98-R100 PolarHBondContact O-N 3.39Å; W98-T101 PolarHBondContact O-N 3.1Å; W98-T101 VanDerWaalsContact O-N 3.13Å; W98-V102 VanDerWaalsContact O-CG2 3.29Å; W98-V102 WeakPolarHBondContact O-CG2 3.34Å; W98-V102 PolarHBondContact O-N 3.36Å
99	A	75.9	Confident	69.8	Low	2 Å²	2	81.8 Å²	81.8	2%	0.017	40%	0.4	C	S	.	.	H	α-helix	trans	-54.9	-44.5	174.9	0	0	0	0	0	111.3	E95 E96 V102 F103 L126 Y128	E95-A99 PolarHBondContact O-N 3.13Å; E96-A99 PolarHBondContact O-N 3.21Å; A99-V102 WeakPolarHBondContact O-CB 3.46Å; A99-V102 PolarHBondContact O-N 3.23Å; A99-F103 VanDerWaalsContact O-CB 3.29Å; A99-F103 WeakPolarHBondContact O-CB 3.5Å; A99-F103 PolarHBondContact O-N 2.85Å; A99-L126 HydrophobicContact CB-CD1 4.31Å; A99-L126 HydrophobicContact CB-CD2 4.25Å; A99-Y128 PolarHBondContact O-OH 2.9Å
100	R	81.2	Confident	72.1	Confident	178 Å²	178	76.3 Å²	76.3	67%	0.672	39%	0.385	S	S	*	.	H	α-helix	trans	-64.6	-43.3	176.1	-172.8	175.2	-178.5	172.4	1.4	112.8	E96 W98 V102 F103 V104	E96-R100 WeakPolarHBondContact O-CB 3.03Å; E96-R100 PolarHBondContact O-N 3.42Å; W98-R100 VanDerWaalsContact C-N 3.26Å; W98-R100 PolarHBondContact O-N 3.39Å; R100-V102 VanDerWaalsContact C-N 3.31Å; R100-V102 PolarHBondContact O-N 2.86Å; R100-F103 PolarHBondContact O-N 2.88Å; R100-V104 HydrophobicContact CG-CG2 4.38Å; R100-V104 WeakPolarHBondContact O-CB 3.12Å; R100-V104 VanDerWaalsContact O-CG2 3.29Å; R100-V104 WeakPolarHBondContact O-CG2 3.43Å; R100-V104 PolarHBondContact O-N 3.4Å
101	T	80.5	Confident	74	Confident	64 Å²	64	74 Å²	74	39%	0.393	37%	0.372	S	S	.	.	H	α-helix	trans	-61.5	-43.5	178.7	-62.4	0	0	0	0	111	Q97 W98 H105	Q97-T101 WeakPolarHBondContact O-CB 3.25Å; Q97-T101 PolarHBondContact O-N 2.99Å; Q97-T101 PolarHBondContact O-OG1 3.22Å; W98-T101 PolarHBondContact O-N 3.1Å; W98-T101 VanDerWaalsContact O-N 3.13Å; T101-H105 PolarHBondContact O-N 3.13Å; T101-H105 PolarHBondContact O-ND1 2.76Å
102	V	78.1	Confident	75.7	Confident	6 Å²	6	68.6 Å²	68.6	4%	0.036	34%	0.337	C	S	.	.	H	α-helix	trans	-58.9	-54.9	173.5	166.8	0	0	0	0	110.6	V75 F77 W98 A99 R100 V104 H105 L106 L126 Y128	V75-V102 HydrophobicContact CB-CB 4.07Å; V75-V102 HydrophobicContact CB-CG1 3.51Å; V75-V102 HydrophobicContact CB-CG2 3.42Å; V75-V102 VanDerWaalsContact CB-CG2 3.42Å; V75-V102 HydrophobicContact CG1-CB 4.42Å; V75-V102 HydrophobicContact CG1-CG1 4.35Å; V75-V102 HydrophobicContact CG1-CG2 3.34Å; V75-V102 HydrophobicContact CG2-CB 4.27Å; V75-V102 HydrophobicContact CG2-CG1 3.45Å; V75-V102 VanDerWaalsContact CG2-CG1 3.45Å; V75-V102 HydrophobicContact CG2-CG2 4.03Å; F77-V102 HydrophobicContact CE2-CG2 3.55Å; F77-V102 HydrophobicContact CZ-CG2 3.53Å; W98-V102 VanDerWaalsContact O-CG2 3.29Å; W98-V102 WeakPolarHBondContact O-CG2 3.34Å; W98-V102 PolarHBondContact O-N 3.36Å; A99-V102 WeakPolarHBondContact O-CB 3.46Å; A99-V102 PolarHBondContact O-N 3.23Å; R100-V102 VanDerWaalsContact C-N 3.31Å; R100-V102 PolarHBondContact O-N 2.86Å; V102-V104 VanDerWaalsContact C-N 3.35Å; V102-V104 PolarHBondContact O-N 2.88Å; V102-H105 PolarHBondContact O-N 2.96Å; V102-L106 HydrophobicContact CG1-CD1 3.8Å; V102-L106 HydrophobicContact CG1-CG 4.16Å; V102-L106 WeakPolarHBondContact O-CG 3.37Å; V102-L106 PolarHBondContact O-N 2.96Å; V102-L126 HydrophobicContact CB-CD1 4.4Å; V102-L126 HydrophobicContact CG1-CD1 4.49Å; V102-L126 HydrophobicContact CG2-CD1 4.18Å; V102-Y128 HydrophobicContact CB-CE2 4.5Å; V102-Y128 HydrophobicContact CG1-CD2 4.16Å; V102-Y128 HydrophobicContact CG1-CE2 3.48Å; V102-Y128 VanDerWaalsContact CG1-CE2 3.48Å
103	F	76.9	Confident	77	Confident	78 Å²	78	70.8 Å²	70.8	34%	0.342	35%	0.345	S	S	.	.	H	α-helix	trans	-56.3	-48	-177.3	179.5	-108.3	0	0	0	111.9	A99 R100 H105 L106 L107 Y112 Y128	A99-F103 VanDerWaalsContact O-CB 3.29Å; A99-F103 WeakPolarHBondContact O-CB 3.5Å; A99-F103 PolarHBondContact O-N 2.85Å; R100-F103 PolarHBondContact O-N 2.88Å; F103-H105 VanDerWaalsContact C-N 3.27Å; F103-H105 PolarHBondContact O-N 2.97Å; F103-L106 WeakPolarHBondContact O-CB 3.46Å; F103-L106 PolarHBondContact O-N 3.09Å; F103-L106 VanDerWaalsContact O-N 3.1Å; F103-L107 HydrophobicContact CD1-CD1 4.02Å; F103-L107 HydrophobicContact CD1-CG 4.43Å; F103-L107 HydrophobicContact CE1-CD1 3.57Å; F103-L107 HydrophobicContact CE1-CD2 4.45Å; F103-L107 HydrophobicContact CE1-CG 4.11Å; F103-L107 HydrophobicContact CE2-CD2 4.32Å; F103-L107 HydrophobicContact CE2-CG 4.44Å; F103-L107 HydrophobicContact CZ-CD1 3.98Å; F103-L107 HydrophobicContact CZ-CD2 4.01Å; F103-L107 HydrophobicContact CZ-CG 4.11Å; F103-L107 WeakPolarHBondContact O-CG 3.42Å; F103-L107 PolarHBondContact O-N 3.45Å; F103-Y112 WeakPolarHBondContact CE2-O 3.34Å; F103-Y128 HydrophobicContact CB-CE1 4.41Å; F103-Y128 AromaticContact CD2-CE1 3.97Å; F103-Y128 HydrophobicContact CD2-CE1 3.97Å
104	V	78.7	Confident	78	Confident	68 Å²	68	68.7 Å²	68.7	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-60.3	-35.9	177.5	170.3	0	0	0	0	112.2	R100 V102	R100-V104 HydrophobicContact CG-CG2 4.38Å; R100-V104 WeakPolarHBondContact O-CB 3.12Å; R100-V104 VanDerWaalsContact O-CG2 3.29Å; R100-V104 WeakPolarHBondContact O-CG2 3.43Å; R100-V104 PolarHBondContact O-N 3.4Å; V102-V104 VanDerWaalsContact C-N 3.35Å; V102-V104 PolarHBondContact O-N 2.88Å
105	H	76.2	Confident	78.9	Confident	86 Å²	86	66.8 Å²	66.8	40%	0.398	32%	0.324	S	S	.	.	H	α-helix	trans	-75.5	-34.2	175.6	-77	84.1	0	0	0	112.7	T101 V102 F103 L107 K108	T101-H105 PolarHBondContact O-N 3.13Å; T101-H105 PolarHBondContact O-ND1 2.76Å; V102-H105 PolarHBondContact O-N 2.96Å; F103-H105 VanDerWaalsContact C-N 3.27Å; F103-H105 PolarHBondContact O-N 2.97Å; H105-L107 VanDerWaalsContact C-N 3.33Å; H105-K108 WeakPolarHBondContact O-CB 3.29Å; H105-K108 PolarHBondContact O-N 3.04Å
106	L	75.1	Confident	79.8	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-39.1	173.1	-69.9	179.3	0	0	0	111.7	R73 V102 F103 K108 L109 G110 Y112 Y128	R73-L106 HydrophobicContact CB-CD2 3.39Å; R73-L106 HydrophobicContact CG-CD2 4.14Å; V102-L106 HydrophobicContact CG1-CD1 3.8Å; V102-L106 HydrophobicContact CG1-CG 4.16Å; V102-L106 WeakPolarHBondContact O-CG 3.37Å; V102-L106 PolarHBondContact O-N 2.96Å; F103-L106 WeakPolarHBondContact O-CB 3.46Å; F103-L106 PolarHBondContact O-N 3.09Å; F103-L106 VanDerWaalsContact O-N 3.1Å; L106-K108 PolarHBondContact O-N 2.97Å; L106-L109 WeakPolarHBondContact O-CA 3.3Å; L106-L109 WeakPolarHBondContact O-CB 3.39Å; L106-L109 PolarHBondContact O-N 3.21Å; L106-G110 PolarHBondContact O-N 2.86Å; L106-G110 VanDerWaalsContact O-O 3.07Å; L106-Y112 HydrophobicContact CB-CD2 3.95Å; L106-Y112 HydrophobicContact CB-CG 4.27Å; L106-Y112 HydrophobicContact CD1-CG 4.43Å; L106-Y128 HydrophobicContact CD1-CD1 3.91Å; L106-Y128 HydrophobicContact CD1-CD2 3.66Å; L106-Y128 HydrophobicContact CD1-CE1 4.38Å; L106-Y128 HydrophobicContact CD1-CE2 4.13Å; L106-Y128 HydrophobicContact CD1-CG 3.56Å
107	L	74.1	Confident	80.3	Confident	84 Å²	84	67.8 Å²	67.8	44%	0.44	32%	0.324	S	S	.	.	H	α-helix	trans	-58.4	-28.2	176.1	-73.2	178.8	0	0	0	113.5	F103 H105 L109 G110	F103-L107 HydrophobicContact CD1-CD1 4.02Å; F103-L107 HydrophobicContact CD1-CG 4.43Å; F103-L107 HydrophobicContact CE1-CD1 3.57Å; F103-L107 HydrophobicContact CE1-CD2 4.45Å; F103-L107 HydrophobicContact CE1-CG 4.11Å; F103-L107 HydrophobicContact CE2-CD2 4.32Å; F103-L107 HydrophobicContact CE2-CG 4.44Å; F103-L107 HydrophobicContact CZ-CD1 3.98Å; F103-L107 HydrophobicContact CZ-CD2 4.01Å; F103-L107 HydrophobicContact CZ-CG 4.11Å; F103-L107 WeakPolarHBondContact O-CG 3.42Å; F103-L107 PolarHBondContact O-N 3.45Å; H105-L107 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 3.49Å; L107-G110 WeakPolarHBondContact CA-O 3.42Å
108	K	78.6	Confident	80.9	Confident	150 Å²	150	64 Å²	64	65%	0.652	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.9	173.9	-63.4	179.5	-179.7	175.7	0	113.1	H105 L106	H105-K108 WeakPolarHBondContact O-CB 3.29Å; H105-K108 PolarHBondContact O-N 3.04Å; L106-K108 PolarHBondContact O-N 2.97Å
109	L	76.1	Confident	81.5	Confident	96 Å²	96	63 Å²	63	50%	0.503	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-9.5	-170.9	-52.1	158.6	0	0	0	113.6	R73 L106 L107	R73-L109 VanDerWaalsContact CZ-CD1 3.48Å; L106-L109 WeakPolarHBondContact O-CA 3.3Å; L106-L109 WeakPolarHBondContact O-CB 3.39Å; L106-L109 PolarHBondContact O-N 3.21Å; L107-L109 PolarHBondContact O-N 3.49Å
110	G	79.7	Confident	81.8	Confident	32 Å²	32	64.4 Å²	64.4	33%	0.33	31%	0.311	S	S	.	.	S	Bend	trans	152.3	175	-178.6	0	0	0	0	0	111.5	L106 L107 Y112	L106-G110 PolarHBondContact O-N 2.86Å; L106-G110 VanDerWaalsContact O-O 3.07Å; L107-G110 WeakPolarHBondContact CA-O 3.42Å; G110-Y112 VanDerWaalsContact O-CD2 3.32Å; G110-Y112 WeakPolarHBondContact O-CD2 3.45Å
111	I	84.1	Confident	81.9	Confident	87 Å²	87	57.4 Å²	57.4	45%	0.446	29%	0.286	S	S	.	.			trans	-83.5	124	174.4	-58.1	175.6	0	0	0	108.3	F113 E131	I111-F113 HydrophobicContact CG2-CE2 3.81Å; I111-F113 HydrophobicContact CG2-CZ 4.11Å; I111-E131 HydrophobicContact CB-CB 3.96Å; I111-E131 HydrophobicContact CG2-CB 3.95Å; I111-E131 HydrophobicContact CG2-CG 4.39Å; I111-E131 PolarHBondContact O-N 3.31Å
112	Y	82.1	Confident	81.7	Confident	13 Å²	13	54.7 Å²	54.7	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.5	177.7	-70.1	-97.5	0	0	0	109.7	T71 R73 F103 L106 G110 A129	T71-Y112 WeakPolarHBondContact O-CE1 3.45Å; T71-Y112 PolarHBondContact O-OH 2.8Å; R73-Y112 HydrophobicContact CB-CD1 4.49Å; R73-Y112 HydrophobicContact CB-CE1 3.9Å; R73-Y112 HydrophobicContact CG-CE1 4.18Å; F103-Y112 WeakPolarHBondContact CE2-O 3.34Å; L106-Y112 HydrophobicContact CB-CD2 3.95Å; L106-Y112 HydrophobicContact CB-CG 4.27Å; L106-Y112 HydrophobicContact CD1-CG 4.43Å; G110-Y112 VanDerWaalsContact O-CD2 3.32Å; G110-Y112 WeakPolarHBondContact O-CD2 3.45Å; Y112-A129 CarbonylContact C-O 3.53Å; Y112-A129 WeakPolarHBondContact CA-O 3.18Å
113	F	85.1	Confident	81.9	Confident	66 Å²	66	54.4 Å²	54.4	29%	0.289	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.1	175.1	-66.7	-88.4	0	0	0	109.9	I111 V115 Y128 A129 E131 Y134	I111-F113 HydrophobicContact CG2-CE2 3.81Å; I111-F113 HydrophobicContact CG2-CZ 4.11Å; F113-V115 PolarHBondContact O-N 3.02Å; F113-Y128 CarbonylContact O-C 3.55Å; F113-Y128 WeakPolarHBondContact O-CA 3.49Å; F113-Y128 WeakPolarHBondContact O-CB 3.41Å; F113-A129 PolarHBondContact N-O 2.91Å; F113-A129 PolarHBondContact O-N 3.35Å; F113-E131 HydrophobicContact CD2-CB 4.46Å; F113-E131 HydrophobicContact CE2-CB 3.9Å; F113-E131 HydrophobicContact CE2-CG 4Å; F113-Y134 HydrophobicContact CB-CD1 4.28Å; F113-Y134 HydrophobicContact CB-CD2 3.51Å; F113-Y134 HydrophobicContact CB-CE2 3.87Å; F113-Y134 HydrophobicContact CB-CG 3.74Å; F113-Y134 HydrophobicContact CD1-CD1 4.14Å; F113-Y134 HydrophobicContact CD1-CE1 4.04Å; F113-Y134 HydrophobicContact CD1-CG 4.44Å; F113-Y134 AromaticContact CD2-CD1 3.7Å; F113-Y134 HydrophobicContact CD2-CD1 3.7Å; F113-Y134 HydrophobicContact CD2-CD2 4.33Å; F113-Y134 HydrophobicContact CD2-CE1 4.42Å; F113-Y134 AromaticContact CD2-CG 3.64Å; F113-Y134 HydrophobicContact CD2-CG 3.64Å; F113-Y134 HydrophobicContact CE1-CD1 4.43Å; F113-Y134 HydrophobicContact CE1-CE1 4.33Å; F113-Y134 HydrophobicContact CE2-CD1 4.03Å; F113-Y134 HydrophobicContact CE2-CG 4.39Å; F113-Y134 AromaticContact CG-CD1 3.76Å; F113-Y134 HydrophobicContact CG-CD1 3.76Å; F113-Y134 AromaticContact CG-CD2 3.93Å; F113-Y134 HydrophobicContact CG-CD2 3.93Å; F113-Y134 HydrophobicContact CG-CE1 4.09Å; F113-Y134 HydrophobicContact CG-CE2 4.24Å; F113-Y134 AromaticContact CG-CG 3.67Å; F113-Y134 HydrophobicContact CG-CG 3.67Å; F113-Y134 HydrophobicContact CZ-CD1 4.38Å
114	E	87.9	Confident	82.3	Confident	65 Å²	65	50.7 Å²	50.7	30%	0.304	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.8	170.5	-166	-174.1	125.9	0	0	109	R117 Y128	E114-R117 VanDerWaalsContact CD-NH2 3.31Å; E114-R117 IonicContact OE1-CZ 3.37Å; E114-R117 VanDerWaalsContact OE1-CZ 3.3Å; E114-R117 IonicContact OE1-NE 3.08Å; E114-R117 PolarHBondContact OE1-NE 3.39Å; E114-R117 IonicContact OE1-NH2 2.71Å; E114-R117 PolarHBondContact OE1-NH2 3.28Å; E114-R117 VanDerWaalsContact OE1-NH2 3.1Å; E114-R117 IonicContact OE2-CZ 3.77Å; E114-R117 IonicContact OE2-NE 3.65Å; E114-R117 IonicContact OE2-NH2 2.75Å; E114-R117 PolarHBondContact OE2-NH2 3.35Å; E114-Y128 VanDerWaalsContact CA-CD1 3.49Å; E114-Y128 HydrophobicContact CB-CD1 3.87Å; E114-Y128 HydrophobicContact CB-CE1 3.52Å; E114-Y128 HydrophobicContact CG-CD1 4.33Å; E114-Y128 HydrophobicContact CG-CE1 3.88Å; E114-Y128 PolarHBondContact OE2-OH 2.93Å
115	V	87	Confident	82.6	Confident	32 Å²	32	47.5 Å²	47.5	19%	0.194	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-46.4	179	177.3	0	0	0	0	110.1	F113 L127 A129 I139 I142	F113-V115 PolarHBondContact O-N 3.02Å; V115-L127 HydrophobicContact CB-CB 4.47Å; V115-L127 HydrophobicContact CB-CD2 3.88Å; V115-L127 HydrophobicContact CB-CG 3.82Å; V115-L127 HydrophobicContact CG1-CD2 3.7Å; V115-L127 HydrophobicContact CG1-CG 4.23Å; V115-L127 HydrophobicContact CG2-CG 4.28Å; V115-L127 PolarHBondContact N-O 2.92Å; V115-A129 HydrophobicContact CG2-CB 3.54Å; V115-I139 HydrophobicContact CG1-CG2 3.94Å; V115-I139 HydrophobicContact CG2-CD1 4.29Å; V115-I142 HydrophobicContact CG1-CD1 3.36Å; V115-I142 HydrophobicContact CG1-CG1 4.23Å
116	K	89.7	Confident	83.1	Confident	85 Å²	85	43.4 Å²	43.4	37%	0.37	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	145.7	-177.2	-162.6	66.4	173.8	179.9	0	112.2	L127 I142 V144 I163	K116-L127 PolarHBondContact N-O 3.33Å; K116-L127 PolarHBondContact O-N 3.47Å; K116-I142 HydrophobicContact CB-CG2 3.95Å; K116-I142 HydrophobicContact CD-CG2 4.14Å; K116-I142 HydrophobicContact CG-CG2 3.81Å; K116-V144 HydrophobicContact CD-CG1 4.18Å; K116-V144 HydrophobicContact CG-CG1 3.55Å; K116-I163 HydrophobicContact CB-CD1 4.04Å; K116-I163 HydrophobicContact CB-CG2 4.31Å; K116-I163 HydrophobicContact CG-CD1 4.16Å; K116-I163 HydrophobicContact CG-CG2 4.38Å
117	R	89.4	Confident	83.6	Confident	73 Å²	73	43.2 Å²	43.2	28%	0.275	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149.7	169.3	72.2	178.5	71.7	179.5	5.1	110.8	E95 E96 E114 Y124 L125 L126	E95-R117 VanDerWaalsContact OE1-CD 3.31Å; E95-R117 WeakPolarHBondContact OE1-CD 3.36Å; E95-R117 IonicContact OE1-NH1 3.76Å; E96-R117 IonicContact OE2-CZ 3.32Å; E96-R117 IonicContact OE2-NH1 3.23Å; E96-R117 PolarHBondContact OE2-NH1 2.65Å; E96-R117 IonicContact OE2-NH2 2.72Å; E114-R117 VanDerWaalsContact CD-NH2 3.31Å; E114-R117 IonicContact OE1-CZ 3.37Å; E114-R117 VanDerWaalsContact OE1-CZ 3.3Å; E114-R117 IonicContact OE1-NE 3.08Å; E114-R117 PolarHBondContact OE1-NE 3.39Å; E114-R117 IonicContact OE1-NH2 2.71Å; E114-R117 PolarHBondContact OE1-NH2 3.28Å; E114-R117 VanDerWaalsContact OE1-NH2 3.1Å; E114-R117 IonicContact OE2-CZ 3.77Å; E114-R117 IonicContact OE2-NE 3.65Å; E114-R117 IonicContact OE2-NH2 2.75Å; E114-R117 PolarHBondContact OE2-NH2 3.35Å; R117-Y124 HydrophobicContact CB-CE2 3.97Å; R117-Y124 WeakPolarHBondContact CD-OH 3.31Å; R117-Y124 HydrophobicContact CG-CE2 4.48Å; R117-L125 CarbonylContact C-O 3.3Å; R117-L125 VanDerWaalsContact CA-O 3.3Å; R117-L125 WeakPolarHBondContact CA-O 3.41Å; R117-L126 HydrophobicContact CB-CD2 3.68Å
118	V	89.2	Confident	84.1	Confident	14 Å²	14	39.3 Å²	39.3	9%	0.085	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139	171.9	61.5	0	0	0	0	109.9	Y124 L125 V144 V161 I163	V118-Y124 VanDerWaalsContact O-CD2 3.27Å; V118-Y124 WeakPolarHBondContact O-CD2 3.36Å; V118-L125 HydrophobicContact CG1-CB 3.79Å; V118-L125 HydrophobicContact CG1-CD2 3.9Å; V118-L125 HydrophobicContact CG1-CG 3.81Å; V118-L125 PolarHBondContact N-O 3.05Å; V118-L125 PolarHBondContact O-N 3.33Å; V118-V144 HydrophobicContact CB-CB 4.15Å; V118-V144 HydrophobicContact CB-CG1 4.3Å; V118-V144 HydrophobicContact CG2-CB 4.09Å; V118-V144 HydrophobicContact CG2-CG2 4.37Å; V118-V161 HydrophobicContact CB-CB 4.48Å; V118-V161 HydrophobicContact CG1-CB 3.75Å; V118-V161 HydrophobicContact CG1-CG2 3.87Å; V118-V161 HydrophobicContact CG2-CB 3.98Å; V118-V161 HydrophobicContact CG2-CG1 4.19Å; V118-I163 HydrophobicContact CB-CG1 4.32Å; V118-I163 HydrophobicContact CG1-CD1 3.97Å; V118-I163 HydrophobicContact CG1-CG1 3.52Å
119	R	85.4	Confident	84.3	Confident	41 Å²	41	32.2 Å²	32.2	16%	0.155	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146	-177.1	-170.4	177.3	58.1	65.2	12.1	111.1	D90 E95 I121 I123 Y124	D90-R119 PolarHBondContact O-NH2 3.45Å; D90-R119 IonicContact OD1-CZ 3.8Å; D90-R119 IonicContact OD1-NH2 2.88Å; D90-R119 PolarHBondContact OD1-NH2 2.88Å; E95-R119 VanDerWaalsContact OE2-CD 3.31Å; E95-R119 WeakPolarHBondContact OE2-CD 3.26Å; E95-R119 IonicContact OE2-CZ 3.06Å; E95-R119 IonicContact OE2-NE 3.62Å; E95-R119 PolarHBondContact OE2-NE 3.12Å; R119-I121 WeakPolarHBondContact CD-O 3.4Å; R119-I121 WeakPolarHBondContact CG-O 3.47Å; R119-I121 PolarHBondContact NH1-O 3.13Å; R119-I123 CarbonylContact C-O 3.59Å; R119-I123 WeakPolarHBondContact CA-O 3.23Å; R119-Y124 HydrophobicContact CB-CD2 3.81Å; R119-Y124 HydrophobicContact CB-CE2 4.33Å; R119-Y124 HydrophobicContact CG-CD2 4.15Å
120	L	83.7	Confident	84.6	Confident	30 Å²	30	28.1 Å²	28.1	16%	0.157	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	98.5	166.1	177.9	64.3	0	0	0	108.2	G122 I123 A146 V147 V161	L120-G122 PolarHBondContact O-N 3.24Å; L120-I123 HydrophobicContact CB-CB 4.43Å; L120-I123 HydrophobicContact CD2-CD1 4.34Å; L120-I123 PolarHBondContact N-O 3.16Å; L120-I123 PolarHBondContact O-N 2.99Å; L120-A146 HydrophobicContact CB-CB 4.18Å; L120-A146 HydrophobicContact CD1-CB 4.41Å; L120-A146 HydrophobicContact CD2-CB 4.41Å; L120-V147 VanDerWaalsContact CD2-C 3.4Å; L120-V147 WeakPolarHBondContact CD2-O 3.3Å; L120-V161 HydrophobicContact CB-CG1 3.33Å
121	I	82.8	Confident	84.9	Confident	31 Å²	31	30.3 Å²	30.3	16%	0.159	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	-104.4	-171.3	-50.4	-168.4	0	0	0	110.2	T86 R119 G156	T86-I121 HydrophobicContact CG2-CG2 4.03Å; R119-I121 WeakPolarHBondContact CD-O 3.4Å; R119-I121 WeakPolarHBondContact CG-O 3.47Å; R119-I121 PolarHBondContact NH1-O 3.13Å; I121-G156 VanDerWaalsContact CD1-C 3.45Å
122	G	75.3	Confident	84.8	Confident	7 Å²	7	29.4 Å²	29.4	7%	0.072	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.2	-179.8	0	0	0	0	0	114.5	Q78 E79 L80 L120	Q78-G122 CarbonylContact C-O 3.59Å; Q78-G122 VanDerWaalsContact C-O 3.3Å; Q78-G122 VanDerWaalsContact CA-O 3.23Å; Q78-G122 WeakPolarHBondContact CA-O 3.34Å; E79-G122 PolarHBondContact N-O 2.72Å; L80-G122 PolarHBondContact N-O 3.43Å; L120-G122 PolarHBondContact O-N 3.24Å
123	I	83.7	Confident	84.9	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	115.4	179.6	-46.9	175.9	0	0	0	108.1	R119 L120 G159 V161 N176 H178	R119-I123 CarbonylContact C-O 3.59Å; R119-I123 WeakPolarHBondContact CA-O 3.23Å; L120-I123 HydrophobicContact CB-CB 4.43Å; L120-I123 HydrophobicContact CD2-CD1 4.34Å; L120-I123 PolarHBondContact N-O 3.16Å; L120-I123 PolarHBondContact O-N 2.99Å; I123-G159 WeakPolarHBondContact CD1-O 3.47Å; I123-V161 HydrophobicContact CG2-CG1 4.42Å; I123-V161 HydrophobicContact CG2-CG2 3.87Å; I123-N176 HydrophobicContact CG2-CB 4.22Å; I123-H178 HydrophobicContact CD1-CB 3.7Å; I123-H178 HydrophobicContact CG1-CB 3.82Å
124	Y	84.3	Confident	84.8	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.9	-173	-172.1	-139.6	0	0	0	112.3	F77 L80 E95 R117 V118 R119 L126 N176	F77-Y124 HydrophobicContact CD2-CD1 4.05Å; F77-Y124 PolarHBondContact O-N 3.17Å; L80-Y124 HydrophobicContact CD1-CD1 4.07Å; E95-Y124 HydrophobicContact CG-CE1 4.01Å; E95-Y124 HydrophobicContact CG-CE2 3.8Å; E95-Y124 WeakPolarHBondContact CG-OH 3.17Å; R117-Y124 HydrophobicContact CB-CE2 3.97Å; R117-Y124 WeakPolarHBondContact CD-OH 3.31Å; R117-Y124 HydrophobicContact CG-CE2 4.48Å; V118-Y124 VanDerWaalsContact O-CD2 3.27Å; V118-Y124 WeakPolarHBondContact O-CD2 3.36Å; R119-Y124 HydrophobicContact CB-CD2 3.81Å; R119-Y124 HydrophobicContact CB-CE2 4.33Å; R119-Y124 HydrophobicContact CG-CD2 4.15Å; Y124-L126 HydrophobicContact CD1-CD1 4.44Å; Y124-L126 HydrophobicContact CD1-CG 4.41Å; Y124-L126 HydrophobicContact CE1-CD1 3.77Å; Y124-L126 HydrophobicContact CE1-CD2 3.98Å; Y124-L126 HydrophobicContact CE1-CG 3.76Å; Y124-L126 HydrophobicContact CE2-CD2 4.33Å; Y124-L126 VanDerWaalsContact OH-CD2 3.26Å; Y124-L126 WeakPolarHBondContact OH-CD2 3.07Å; Y124-N176 PolarHBondContact O-ND2 3.16Å
125	L	85.2	Confident	84.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	122.3	-177.5	154.5	44.6	0	0	0	110.1	R117 V118 V161 I163 L174 N176	R117-L125 CarbonylContact C-O 3.3Å; R117-L125 VanDerWaalsContact CA-O 3.3Å; R117-L125 WeakPolarHBondContact CA-O 3.41Å; V118-L125 HydrophobicContact CG1-CB 3.79Å; V118-L125 HydrophobicContact CG1-CD2 3.9Å; V118-L125 HydrophobicContact CG1-CG 3.81Å; V118-L125 PolarHBondContact N-O 3.05Å; V118-L125 PolarHBondContact O-N 3.33Å; L125-V161 HydrophobicContact CB-CG2 3.69Å; L125-V161 HydrophobicContact CD2-CG2 4.34Å; L125-I163 HydrophobicContact CD1-CD1 3.81Å; L125-I163 HydrophobicContact CD1-CG1 4.41Å; L125-I163 HydrophobicContact CD2-CB 4.11Å; L125-I163 HydrophobicContact CD2-CD1 3.97Å; L125-I163 HydrophobicContact CD2-CG1 3.62Å; L125-I163 HydrophobicContact CG-CD1 3.51Å; L125-I163 HydrophobicContact CG-CG1 3.76Å; L125-L174 HydrophobicContact CD1-CD1 4.45Å; L125-L174 HydrophobicContact CD2-CB 4.23Å; L125-L174 WeakPolarHBondContact CD2-O 3.38Å; L125-N176 HydrophobicContact CB-CB 4.13Å; L125-N176 HydrophobicContact CD2-CB 4.46Å
126	L	85.6	Confident	84.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.3	173.1	-65.1	161.7	0	0	0	111.3	V75 F77 A99 V102 R117 Y124 Y128	V75-L126 WeakPolarHBondContact O-CB 3.47Å; F77-L126 HydrophobicContact CE2-CD1 4.43Å; A99-L126 HydrophobicContact CB-CD1 4.31Å; A99-L126 HydrophobicContact CB-CD2 4.25Å; V102-L126 HydrophobicContact CB-CD1 4.4Å; V102-L126 HydrophobicContact CG1-CD1 4.49Å; V102-L126 HydrophobicContact CG2-CD1 4.18Å; R117-L126 HydrophobicContact CB-CD2 3.68Å; Y124-L126 HydrophobicContact CD1-CD1 4.44Å; Y124-L126 HydrophobicContact CD1-CG 4.41Å; Y124-L126 HydrophobicContact CE1-CD1 3.77Å; Y124-L126 HydrophobicContact CE1-CD2 3.98Å; Y124-L126 HydrophobicContact CE1-CG 3.76Å; Y124-L126 HydrophobicContact CE2-CD2 4.33Å; Y124-L126 VanDerWaalsContact OH-CD2 3.26Å; Y124-L126 WeakPolarHBondContact OH-CD2 3.07Å; L126-Y128 HydrophobicContact CB-CD2 4.23Å; L126-Y128 HydrophobicContact CB-CE2 3.69Å; L126-Y128 HydrophobicContact CD1-CE2 4.08Å; L126-Y128 HydrophobicContact CD2-CE2 4.32Å; L126-Y128 HydrophobicContact CG-CE2 4.26Å
127	L	86.3	Confident	84.7	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.1	169.8	170.6	66.3	0	0	0	108.7	K74 V115 K116 I163 F165 L174	K74-L127 HydrophobicContact CD-CD1 4.33Å; K74-L127 HydrophobicContact CG-CD1 4.39Å; V115-L127 HydrophobicContact CB-CB 4.47Å; V115-L127 HydrophobicContact CB-CD2 3.88Å; V115-L127 HydrophobicContact CB-CG 3.82Å; V115-L127 HydrophobicContact CG1-CD2 3.7Å; V115-L127 HydrophobicContact CG1-CG 4.23Å; V115-L127 HydrophobicContact CG2-CG 4.28Å; V115-L127 PolarHBondContact N-O 2.92Å; K116-L127 PolarHBondContact N-O 3.33Å; K116-L127 PolarHBondContact O-N 3.47Å; L127-I163 HydrophobicContact CB-CD1 4.04Å; L127-I163 HydrophobicContact CD2-CG2 4.06Å; L127-F165 HydrophobicContact CD1-CE1 4.35Å; L127-F165 HydrophobicContact CD1-CZ 4.38Å; L127-F165 HydrophobicContact CD2-CD1 3.89Å; L127-F165 HydrophobicContact CD2-CE1 4.05Å; L127-F165 HydrophobicContact CD2-CG 4.33Å; L127-L174 HydrophobicContact CD1-CD1 4.31Å
128	Y	85.6	Confident	84.6	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.3	168	-63.2	-98.5	0	0	0	110.6	R73 A99 V102 F103 L106 F113 E114 L126	R73-Y128 WeakPolarHBondContact O-CB 3.31Å; A99-Y128 PolarHBondContact O-OH 2.9Å; V102-Y128 HydrophobicContact CB-CE2 4.5Å; V102-Y128 HydrophobicContact CG1-CD2 4.16Å; V102-Y128 HydrophobicContact CG1-CE2 3.48Å; V102-Y128 VanDerWaalsContact CG1-CE2 3.48Å; F103-Y128 HydrophobicContact CB-CE1 4.41Å; F103-Y128 AromaticContact CD2-CE1 3.97Å; F103-Y128 HydrophobicContact CD2-CE1 3.97Å; L106-Y128 HydrophobicContact CD1-CD1 3.91Å; L106-Y128 HydrophobicContact CD1-CD2 3.66Å; L106-Y128 HydrophobicContact CD1-CE1 4.38Å; L106-Y128 HydrophobicContact CD1-CE2 4.13Å; L106-Y128 HydrophobicContact CD1-CG 3.56Å; F113-Y128 CarbonylContact O-C 3.55Å; F113-Y128 WeakPolarHBondContact O-CA 3.49Å; F113-Y128 WeakPolarHBondContact O-CB 3.41Å; E114-Y128 VanDerWaalsContact CA-CD1 3.49Å; E114-Y128 HydrophobicContact CB-CD1 3.87Å; E114-Y128 HydrophobicContact CB-CE1 3.52Å; E114-Y128 HydrophobicContact CG-CD1 4.33Å; E114-Y128 HydrophobicContact CG-CE1 3.88Å; E114-Y128 PolarHBondContact OE2-OH 2.93Å; L126-Y128 HydrophobicContact CB-CD2 4.23Å; L126-Y128 HydrophobicContact CB-CE2 3.69Å; L126-Y128 HydrophobicContact CD1-CE2 4.08Å; L126-Y128 HydrophobicContact CD2-CE2 4.32Å; L126-Y128 HydrophobicContact CG-CE2 4.26Å
129	A	82.6	Confident	84.5	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	148.6	170.4	0	0	0	0	0	110.6	Y72 Y112 F113 V115 I139	Y72-A129 HydrophobicContact CD1-CB 4.08Å; Y72-A129 HydrophobicContact CE1-CB 4.42Å; Y112-A129 CarbonylContact C-O 3.53Å; Y112-A129 WeakPolarHBondContact CA-O 3.18Å; F113-A129 PolarHBondContact N-O 2.91Å; F113-A129 PolarHBondContact O-N 3.35Å; V115-A129 HydrophobicContact CG2-CB 3.54Å; A129-I139 HydrophobicContact CB-CD1 3.96Å
130	S	81.6	Confident	84.8	Confident	11 Å²	11	41.9 Å²	41.9	8%	0.077	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	157.4	167.7	59.4	0	0	0	0	109.8	E132 L133 Y134	S130-E132 VanDerWaalsContact C-N 3.28Å; S130-E132 PolarHBondContact O-N 3.43Å; S130-L133 PolarHBondContact O-N 3.16Å; S130-L133 VanDerWaalsContact O-N 3.16Å; S130-L133 WeakPolarHBondContact OG-CD1 3.5Å; S130-Y134 WeakPolarHBondContact O-CB 3.31Å; S130-Y134 PolarHBondContact O-N 3.3Å
131	E	86.6	Confident	85.1	Confident	78 Å²	78	43.5 Å²	43.5	36%	0.364	20%	0.202	S	C	.	.	H	α-helix	trans	-49.9	-47.1	174.9	176.6	171.9	-118.3	0	0	112.7	I111 F113 L133 Y134 L135	I111-E131 HydrophobicContact CB-CB 3.96Å; I111-E131 HydrophobicContact CG2-CB 3.95Å; I111-E131 HydrophobicContact CG2-CG 4.39Å; I111-E131 PolarHBondContact O-N 3.31Å; F113-E131 HydrophobicContact CD2-CB 4.46Å; F113-E131 HydrophobicContact CE2-CB 3.9Å; F113-E131 HydrophobicContact CE2-CG 4Å; E131-L133 VanDerWaalsContact C-N 3.3Å; E131-L133 PolarHBondContact O-N 2.96Å; E131-Y134 PolarHBondContact O-N 3.42Å; E131-L135 HydrophobicContact CG-CD1 3.56Å; E131-L135 HydrophobicContact CG-CG 4.02Å; E131-L135 WeakPolarHBondContact O-CB 3.27Å; E131-L135 VanDerWaalsContact O-CG 3.25Å; E131-L135 WeakPolarHBondContact O-CG 3.08Å; E131-L135 PolarHBondContact O-N 2.96Å
132	E	82.8	Confident	85.5	Confident	68 Å²	68	44.9 Å²	44.9	32%	0.318	21%	0.21	S	C	.	.	H	α-helix	trans	-53.8	-46.4	179	177.2	174.4	-168.2	0	0	112.9	S130 L135 R136	S130-E132 VanDerWaalsContact C-N 3.28Å; S130-E132 PolarHBondContact O-N 3.43Å; E132-L135 PolarHBondContact O-N 3.4Å; E132-R136 WeakPolarHBondContact O-CB 3.45Å; E132-R136 VanDerWaalsContact O-CG 3.23Å; E132-R136 WeakPolarHBondContact O-CG 3.31Å; E132-R136 PolarHBondContact O-N 3.05Å; E132-R136 IonicContact OE1-CZ 3.94Å; E132-R136 VanDerWaalsContact OE1-CZ 3.27Å; E132-R136 IonicContact OE1-NE 3.9Å; E132-R136 PolarHBondContact OE1-NE 3.35Å; E132-R136 IonicContact OE1-NH2 2.82Å; E132-R136 PolarHBondContact OE1-NH2 2.91Å
133	L	83.4	Confident	86.4	Confident	13 Å²	13	45.5 Å²	45.5	7%	0.068	21%	0.211	C	C	.	.	H	α-helix	trans	-79.6	-30.8	-172.7	-68	153.3	0	0	0	111.3	Y72 S130 E131 N137 A138 F168	Y72-L133 HydrophobicContact CD1-CB 4.41Å; Y72-L133 HydrophobicContact CD1-CD1 3.75Å; Y72-L133 HydrophobicContact CD2-CD1 3.98Å; Y72-L133 HydrophobicContact CE1-CB 3.58Å; Y72-L133 HydrophobicContact CE1-CD1 3.16Å; Y72-L133 HydrophobicContact CE1-CD2 4.28Å; Y72-L133 HydrophobicContact CE1-CG 3.75Å; Y72-L133 HydrophobicContact CE2-CD1 3.45Å; Y72-L133 VanDerWaalsContact CE2-CD1 3.45Å; Y72-L133 HydrophobicContact CG-CD1 4.12Å; Y72-L133 WeakPolarHBondContact OH-CD1 3.28Å; Y72-L133 WeakPolarHBondContact OH-CD2 3.11Å; Y72-L133 WeakPolarHBondContact OH-CG 3.44Å; S130-L133 PolarHBondContact O-N 3.16Å; S130-L133 VanDerWaalsContact O-N 3.16Å; S130-L133 WeakPolarHBondContact OG-CD1 3.5Å; E131-L133 VanDerWaalsContact C-N 3.3Å; E131-L133 PolarHBondContact O-N 2.96Å; L133-N137 PolarHBondContact O-N 3.06Å; L133-A138 HydrophobicContact CB-CB 4.37Å; L133-A138 HydrophobicContact CD2-CB 3.88Å; L133-A138 WeakPolarHBondContact O-CB 3.48Å; L133-A138 PolarHBondContact O-N 3.49Å; L133-F168 HydrophobicContact CD2-CE2 4.18Å; L133-F168 HydrophobicContact CD2-CZ 3.68Å
134	Y	83.5	Confident	86.9	Confident	119 Å²	119	47.7 Å²	47.7	47%	0.467	22%	0.224	S	C	.	.	H	α-helix	trans	-65.4	-49.9	169.7	-174	-94.4	0	0	0	111.4	F113 S130 E131 R136 N137	F113-Y134 HydrophobicContact CB-CD1 4.28Å; F113-Y134 HydrophobicContact CB-CD2 3.51Å; F113-Y134 HydrophobicContact CB-CE2 3.87Å; F113-Y134 HydrophobicContact CB-CG 3.74Å; F113-Y134 HydrophobicContact CD1-CD1 4.14Å; F113-Y134 HydrophobicContact CD1-CE1 4.04Å; F113-Y134 HydrophobicContact CD1-CG 4.44Å; F113-Y134 AromaticContact CD2-CD1 3.7Å; F113-Y134 HydrophobicContact CD2-CD1 3.7Å; F113-Y134 HydrophobicContact CD2-CD2 4.33Å; F113-Y134 HydrophobicContact CD2-CE1 4.42Å; F113-Y134 AromaticContact CD2-CG 3.64Å; F113-Y134 HydrophobicContact CD2-CG 3.64Å; F113-Y134 HydrophobicContact CE1-CD1 4.43Å; F113-Y134 HydrophobicContact CE1-CE1 4.33Å; F113-Y134 HydrophobicContact CE2-CD1 4.03Å; F113-Y134 HydrophobicContact CE2-CG 4.39Å; F113-Y134 AromaticContact CG-CD1 3.76Å; F113-Y134 HydrophobicContact CG-CD1 3.76Å; F113-Y134 AromaticContact CG-CD2 3.93Å; F113-Y134 HydrophobicContact CG-CD2 3.93Å; F113-Y134 HydrophobicContact CG-CE1 4.09Å; F113-Y134 HydrophobicContact CG-CE2 4.24Å; F113-Y134 AromaticContact CG-CG 3.67Å; F113-Y134 HydrophobicContact CG-CG 3.67Å; F113-Y134 HydrophobicContact CZ-CD1 4.38Å; S130-Y134 WeakPolarHBondContact O-CB 3.31Å; S130-Y134 PolarHBondContact O-N 3.3Å; E131-Y134 PolarHBondContact O-N 3.42Å; Y134-R136 PolarHBondContact O-N 3.05Å; Y134-N137 WeakPolarHBondContact O-CA 3.39Å; Y134-N137 PolarHBondContact O-N 2.75Å
135	L	87.1	Confident	87.3	Confident	124 Å²	124	48.5 Å²	48.5	65%	0.649	23%	0.231	S	C	*	.	H	α-helix	trans	-66.1	-34.6	-179.4	-69	179.4	0	0	0	112.8	E131 E132 N137	E131-L135 HydrophobicContact CG-CD1 3.56Å; E131-L135 HydrophobicContact CG-CG 4.02Å; E131-L135 WeakPolarHBondContact O-CB 3.27Å; E131-L135 VanDerWaalsContact O-CG 3.25Å; E131-L135 WeakPolarHBondContact O-CG 3.08Å; E131-L135 PolarHBondContact O-N 2.96Å; E132-L135 PolarHBondContact O-N 3.4Å; L135-N137 PolarHBondContact O-N 3.25Å
136	R	86.9	Confident	87.7	Confident	160 Å²	160	50.8 Å²	50.8	60%	0.604	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-4	172.5	-71.8	177.3	-172.5	-125.1	10.4	113.5	E132 Y134 A138	E132-R136 WeakPolarHBondContact O-CB 3.45Å; E132-R136 VanDerWaalsContact O-CG 3.23Å; E132-R136 WeakPolarHBondContact O-CG 3.31Å; E132-R136 PolarHBondContact O-N 3.05Å; E132-R136 IonicContact OE1-CZ 3.94Å; E132-R136 VanDerWaalsContact OE1-CZ 3.27Å; E132-R136 IonicContact OE1-NE 3.9Å; E132-R136 PolarHBondContact OE1-NE 3.35Å; E132-R136 IonicContact OE1-NH2 2.82Å; E132-R136 PolarHBondContact OE1-NH2 2.91Å; Y134-R136 PolarHBondContact O-N 3.05Å; R136-A138 HydrophobicContact CB-CB 4.31Å; R136-A138 PolarHBondContact O-N 3.12Å; R136-A138 VanDerWaalsContact O-N 3.16Å
137	N	88.7	Confident	88	Confident	117 Å²	117	52.6 Å²	52.6	63%	0.626	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	37.2	-169.9	-163.9	37.4	0	0	0	111.9	L133 Y134 L135 I139	L133-N137 PolarHBondContact O-N 3.06Å; Y134-N137 WeakPolarHBondContact O-CA 3.39Å; Y134-N137 PolarHBondContact O-N 2.75Å; L135-N137 PolarHBondContact O-N 3.25Å; N137-I139 VanDerWaalsContact C-N 3.26Å; N137-I139 PolarHBondContact O-N 3.11Å
138	A	86	Confident	88.2	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.033	27%	0.267	C	S	.	.			trans	-70.9	-25.7	-173.4	0	0	0	0	0	111.7	L133 R136 I167 F168	L133-A138 HydrophobicContact CB-CB 4.37Å; L133-A138 HydrophobicContact CD2-CB 3.88Å; L133-A138 WeakPolarHBondContact O-CB 3.48Å; L133-A138 PolarHBondContact O-N 3.49Å; R136-A138 HydrophobicContact CB-CB 4.31Å; R136-A138 PolarHBondContact O-N 3.12Å; R136-A138 VanDerWaalsContact O-N 3.16Å; A138-I167 CarbonylContact O-C 3.54Å; A138-I167 VanDerWaalsContact O-CA 3.29Å; A138-I167 WeakPolarHBondContact O-CA 3.08Å; A138-F168 HydrophobicContact CB-CD1 3.89Å; A138-F168 HydrophobicContact CB-CE1 3.55Å; A138-F168 HydrophobicContact CB-CE2 4.5Å; A138-F168 HydrophobicContact CB-CG 4.49Å; A138-F168 HydrophobicContact CB-CZ 3.91Å; A138-F168 PolarHBondContact O-N 3.1Å
139	I	87.7	Confident	88.4	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.077	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.6	174.6	-59.9	-177.8	0	0	0	109.6	Y72 V115 A129 N137 I142 F165 R166	Y72-I139 HydrophobicContact CD1-CD1 4.06Å; Y72-I139 HydrophobicContact CE1-CD1 3.73Å; Y72-I139 HydrophobicContact CE1-CG1 4.23Å; V115-I139 HydrophobicContact CG1-CG2 3.94Å; V115-I139 HydrophobicContact CG2-CD1 4.29Å; A129-I139 HydrophobicContact CB-CD1 3.96Å; N137-I139 VanDerWaalsContact C-N 3.26Å; N137-I139 PolarHBondContact O-N 3.11Å; I139-I142 HydrophobicContact CG2-CD1 4.11Å; I139-I142 HydrophobicContact CG2-CG1 3.98Å; I139-F165 HydrophobicContact CD1-CD2 4.4Å; I139-F165 HydrophobicContact CD1-CE2 4.26Å; I139-F165 HydrophobicContact CG1-CD2 4.28Å; I139-F165 HydrophobicContact CG1-CE2 4.43Å; I139-F165 HydrophobicContact CG2-CB 3.84Å; I139-F165 HydrophobicContact CG2-CD2 3.64Å; I139-F165 HydrophobicContact CG2-CE2 4.48Å; I139-F165 HydrophobicContact CG2-CG 3.94Å; I139-R166 CarbonylContact C-O 3.45Å; I139-R166 VanDerWaalsContact CA-O 3.32Å; I139-R166 WeakPolarHBondContact CA-O 3.45Å
140	R	90.7	Very high	88	Confident	99 Å²	99	53.6 Å²	53.6	37%	0.374	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	-178.7	179.5	58.5	-175.4	167.8	169	-0.7	110.5	I142 R166 F168 D169	R140-I142 VanDerWaalsContact C-N 3.28Å; R140-I142 PolarHBondContact O-N 2.61Å; R140-R166 HydrophobicContact CG-CB 4.09Å; R140-R166 PolarHBondContact N-O 2.9Å; R140-R166 PolarHBondContact O-N 2.99Å; R140-F168 PolarHBondContact NE-O 3.48Å; R140-F168 PolarHBondContact NH2-O 3.26Å; R140-D169 IonicContact NH2-OD1 3.56Å; R140-D169 PolarHBondContact NH2-OD1 3.06Å
141	D	91	Very high	87.4	Confident	63 Å²	63	58.8 Å²	58.8	34%	0.337	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.4	41.6	171.6	-60.4	-20.2	0	0	0	113.4	R164 R166 F204	D141-R164 WeakPolarHBondContact O-CD 3.42Å; D141-R164 PolarHBondContact O-NH1 3.41Å; D141-R166 HydrophobicContact CB-CB 3.89Å; D141-R166 WeakPolarHBondContact OD2-CD 3.41Å; D141-F204 VanDerWaalsContact CA-CZ 3.42Å; D141-F204 HydrophobicContact CB-CE1 3.59Å; D141-F204 HydrophobicContact CB-CE2 4.24Å; D141-F204 HydrophobicContact CB-CZ 3.26Å; D141-F204 WeakPolarHBondContact O-CZ 3.5Å; D141-F204 WeakPolarHBondContact OD1-CE1 3.36Å
142	I	91.7	Very high	86.3	Confident	61 Å²	61	62.1 Å²	62.1	31%	0.313	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.7	-173.3	-55.6	153.4	0	0	0	110.1	V115 K116 I139 R140 I163 R164 F165	V115-I142 HydrophobicContact CG1-CD1 3.36Å; V115-I142 HydrophobicContact CG1-CG1 4.23Å; K116-I142 HydrophobicContact CB-CG2 3.95Å; K116-I142 HydrophobicContact CD-CG2 4.14Å; K116-I142 HydrophobicContact CG-CG2 3.81Å; I139-I142 HydrophobicContact CG2-CD1 4.11Å; I139-I142 HydrophobicContact CG2-CG1 3.98Å; R140-I142 VanDerWaalsContact C-N 3.28Å; R140-I142 PolarHBondContact O-N 2.61Å; I142-I163 HydrophobicContact CG2-CG2 4.13Å; I142-R164 VanDerWaalsContact CA-O 3.3Å; I142-R164 WeakPolarHBondContact CA-O 3.48Å; I142-F165 HydrophobicContact CG1-CB 3.89Å
143	D	93.3	Very high	85.3	Confident	20 Å²	20	63 Å²	63	11%	0.107	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	158.3	169.7	-156	3.8	0	0	0	111	R164 F201 D202 R203	D143-R164 HydrophobicContact CB-CG 3.87Å; D143-R164 PolarHBondContact N-O 3.49Å; D143-R164 PolarHBondContact O-N 2.79Å; D143-F201 HydrophobicContact CB-CB 4.2Å; D143-F201 HydrophobicContact CB-CD1 4.09Å; D143-F201 HydrophobicContact CB-CG 4.48Å; D143-F201 WeakPolarHBondContact OD2-CB 3.25Å; D143-D202 PolarHBondContact OD2-N 3.35Å; D143-R203 PolarHBondContact OD2-N 3.06Å; D143-R203 VanDerWaalsContact OD2-N 3.07Å
144	V	93.9	Very high	84.3	Confident	46 Å²	46	72.7 Å²	72.7	28%	0.279	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.5	-176.5	-55.4	0	0	0	0	111.3	K116 V118 S162 I163	K116-V144 HydrophobicContact CD-CG1 4.18Å; K116-V144 HydrophobicContact CG-CG1 3.55Å; V118-V144 HydrophobicContact CB-CB 4.15Å; V118-V144 HydrophobicContact CB-CG1 4.3Å; V118-V144 HydrophobicContact CG2-CB 4.09Å; V118-V144 HydrophobicContact CG2-CG2 4.37Å; V144-S162 VanDerWaalsContact CA-O 3.26Å; V144-S162 WeakPolarHBondContact CA-O 3.25Å; V144-I163 HydrophobicContact CG1-CB 4.45Å; V144-I163 HydrophobicContact CG1-CG1 3.9Å; V144-I163 HydrophobicContact CG1-CG2 4.4Å
145	A	93.7	Very high	83.6	Confident	17 Å²	17	70.3 Å²	70.3	14%	0.14	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.9	176	0	0	0	0	0	110.8	V161 S162 I199 F201	A145-V161 CarbonylContact O-C 3.59Å; A145-V161 WeakPolarHBondContact O-CA 3.28Å; A145-S162 PolarHBondContact N-O 3.35Å; A145-S162 PolarHBondContact O-N 2.71Å; A145-I199 HydrophobicContact CB-CG2 3.43Å; A145-I199 VanDerWaalsContact CB-CG2 3.43Å; A145-F201 HydrophobicContact CB-CD1 4.03Å; A145-F201 HydrophobicContact CB-CE1 3.88Å
146	A	92.4	Very high	82.8	Confident	48 Å²	48	64.7 Å²	64.7	40%	0.397	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.4	177.9	0	0	0	0	0	110.1	L120 G160 V161	L120-A146 HydrophobicContact CB-CB 4.18Å; L120-A146 HydrophobicContact CD1-CB 4.41Å; L120-A146 HydrophobicContact CD2-CB 4.41Å; A146-G160 WeakPolarHBondContact CA-O 3.35Å; A146-V161 HydrophobicContact CB-CG1 3.91Å
147	V	93	Very high	82.4	Confident	39 Å²	39	59.9 Å²	59.9	24%	0.236	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	119.8	178.3	170.7	0	0	0	0	109.5	L120 T149 G159 G160 V195 I199	L120-V147 VanDerWaalsContact CD2-C 3.4Å; L120-V147 WeakPolarHBondContact CD2-O 3.3Å; V147-T149 HydrophobicContact CG1-CG2 4.25Å; V147-G159 CarbonylContact O-C 3.52Å; V147-G159 VanDerWaalsContact O-CA 3.23Å; V147-G159 WeakPolarHBondContact O-CA 3.37Å; V147-G160 PolarHBondContact N-O 3.03Å; V147-G160 PolarHBondContact O-N 2.91Å; V147-V195 HydrophobicContact CG1-CG1 3.64Å; V147-I199 HydrophobicContact CB-CD1 4.39Å; V147-I199 HydrophobicContact CB-CG1 4.23Å; V147-I199 HydrophobicContact CG2-CD1 4.1Å; V147-I199 HydrophobicContact CG2-CG1 3.48Å; V147-I199 VanDerWaalsContact CG2-CG1 3.48Å
148	G	90.6	Very high	82.2	Confident	13 Å²	13	55.7 Å²	55.7	13%	0.134	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.5	172.4	0	0	0	0	0	111.8	N153 K158	G148-N153 CarbonylContact O-C 3.58Å; G148-K158 CarbonylContact C-O 3.58Å; G148-K158 WeakPolarHBondContact CA-O 3.38Å
149	T	88.7	Confident	82.5	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.018	29%	0.287	C	S	.	.			trans	-123.1	14.2	175.7	72.3	0	0	0	0	112.4	V147 K158 G159 R188 D192 V195 I196	V147-T149 HydrophobicContact CG1-CG2 4.25Å; T149-K158 PolarHBondContact N-O 2.88Å; T149-G159 VanDerWaalsContact OG1-CA 3.27Å; T149-G159 WeakPolarHBondContact OG1-CA 3.25Å; T149-G159 PolarHBondContact OG1-N 2.75Å; T149-R188 PolarHBondContact O-NH2 2.93Å; T149-D192 WeakPolarHBondContact CB-OD1 3.36Å; T149-D192 PolarHBondContact OG1-OD1 2.72Å; T149-V195 HydrophobicContact CG2-CB 3.98Å; T149-V195 HydrophobicContact CG2-CG1 3.69Å; T149-I196 HydrophobicContact CG2-CD1 4.39Å; T149-I196 HydrophobicContact CG2-CG1 4.06Å
150	G	74.5	Confident	82.7	Confident	7 Å²	7	54.8 Å²	54.8	7%	0.072	28%	0.284	C	S	.	.	S	Bend	trans	-71.5	-148.3	178.4	0	0	0	0	0	113.7	L152 N153 L155 N157 K158	G150-L152 PolarHBondContact O-N 3.42Å; G150-N153 WeakPolarHBondContact O-CA 3.47Å; G150-N153 PolarHBondContact O-N 3.2Å; G150-L155 VanDerWaalsContact CA-O 3.27Å; G150-L155 WeakPolarHBondContact CA-O 3.26Å; G150-L155 PolarHBondContact N-O 3.17Å; G150-N157 WeakPolarHBondContact CA-OD1 3.29Å; G150-K158 PolarHBondContact N-O 3Å
151	L	68.5	Low	82.8	Confident	121 Å²	121	50 Å²	50	63%	0.634	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-50.8	130.8	-178.4	-174.8	79.5	0	0	0	110.3	N153 R154 L155	L151-N153 VanDerWaalsContact C-N 3.28Å; L151-N153 PolarHBondContact O-N 2.92Å; L151-R154 PolarHBondContact O-N 3.28Å; L151-L155 HydrophobicContact CB-CB 4.49Å; L151-L155 HydrophobicContact CB-CD1 3.71Å; L151-L155 HydrophobicContact CD2-CD1 3.91Å; L151-L155 HydrophobicContact CG-CD1 4.21Å; L151-L155 PolarHBondContact O-N 3.02Å
152	L	63.5	Low	83	Confident	147 Å²	147	47 Å²	47	77%	0.77	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	59.5	23.6	-173	-58.4	171.8	0	0	0	116.1	G150 R154	G150-L152 PolarHBondContact O-N 3.42Å; L152-R154 PolarHBondContact O-N 3.13Å
153	N	62.6	Low	83.1	Confident	88 Å²	88	44.1 Å²	44.1	47%	0.471	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	57.7	24.6	-177	-57.6	-17.5	0	0	0	113.9	G148 G150 L151 R188	G148-N153 CarbonylContact O-C 3.58Å; G150-N153 WeakPolarHBondContact O-CA 3.47Å; G150-N153 PolarHBondContact O-N 3.2Å; L151-N153 VanDerWaalsContact C-N 3.28Å; L151-N153 PolarHBondContact O-N 2.92Å; N153-R188 PolarHBondContact OD1-NH1 2.86Å; N153-R188 PolarHBondContact OD1-NH2 3.06Å
154	R	61.7	Low	83.1	Confident	216 Å²	216	43.6 Å²	43.6	82%	0.815	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137.7	-30.1	-174.8	-69.9	-175.9	-179.3	-178.1	0.5	114	L151 L152	L151-R154 PolarHBondContact O-N 3.28Å; L152-R154 PolarHBondContact O-N 3.13Å
155	L	69.7	Low	83	Confident	69 Å²	69	41.6 Å²	41.6	36%	0.361	22%	0.219	S	C	.	.			trans	-75.1	139.9	-178.7	-73.1	163.7	0	0	0	111.3	G150 L151 N157	G150-L155 VanDerWaalsContact CA-O 3.27Å; G150-L155 WeakPolarHBondContact CA-O 3.26Å; G150-L155 PolarHBondContact N-O 3.17Å; L151-L155 HydrophobicContact CB-CB 4.49Å; L151-L155 HydrophobicContact CB-CD1 3.71Å; L151-L155 HydrophobicContact CD2-CD1 3.91Å; L151-L155 HydrophobicContact CG-CD1 4.21Å; L151-L155 PolarHBondContact O-N 3.02Å; L155-N157 VanDerWaalsContact C-N 3.27Å; L155-N157 PolarHBondContact O-N 3.4Å
156	G	69.7	Low	82.9	Confident	6 Å²	6	43.7 Å²	43.7	6%	0.062	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	8.7	-170.9	0	0	0	0	0	116.2	I121 K158	I121-G156 VanDerWaalsContact CD1-C 3.45Å; G156-K158 CarbonylContact C-O 3.6Å; G156-K158 PolarHBondContact O-N 3.11Å
157	N	78	Confident	82.7	Confident	58 Å²	58	41.6 Å²	41.6	31%	0.31	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-14.7	-179.3	67.1	-65.4	0	0	0	112.8	G150 L155	G150-N157 WeakPolarHBondContact CA-OD1 3.29Å; L155-N157 VanDerWaalsContact C-N 3.27Å; L155-N157 PolarHBondContact O-N 3.4Å
158	K	85.5	Confident	82.5	Confident	29 Å²	29	41.4 Å²	41.4	13%	0.126	20%	0.201	C	C	.	.	S	Bend	trans	-136.6	158.6	166.6	-62.2	-66.8	-179.5	-107.1	0	107.5	G148 T149 G150 G156 H178 F179	G148-K158 CarbonylContact C-O 3.58Å; G148-K158 WeakPolarHBondContact CA-O 3.38Å; T149-K158 PolarHBondContact N-O 2.88Å; G150-K158 PolarHBondContact N-O 3Å; G156-K158 CarbonylContact C-O 3.6Å; G156-K158 PolarHBondContact O-N 3.11Å; K158-H178 CarbonylContact C-O 3.46Å; K158-H178 WeakPolarHBondContact CA-O 3.45Å; K158-H178 WeakPolarHBondContact CB-O 3.48Å; K158-H178 HydrophobicContact CD-CB 4.46Å; K158-H178 VanDerWaalsContact CD-CD2 3.47Å; K158-H178 WeakPolarHBondContact CD-CD2 3.13Å; K158-H178 WeakPolarHBondContact CD-O 3.07Å; K158-H178 WeakPolarHBondContact CE-NE2 3.05Å; K158-H178 PolarHBondContact NZ-CE1 3.38Å; K158-H178 PolarHBondContact NZ-NE2 3.42Å; K158-F179 WeakPolarHBondContact CD-O 3.09Å
159	G	92.2	Very high	82.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135	-143.2	-179.9	0	0	0	0	0	112.4	I123 V147 T149 C177 H178 I196	I123-G159 WeakPolarHBondContact CD1-O 3.47Å; V147-G159 CarbonylContact O-C 3.52Å; V147-G159 VanDerWaalsContact O-CA 3.23Å; V147-G159 WeakPolarHBondContact O-CA 3.37Å; T149-G159 VanDerWaalsContact OG1-CA 3.27Å; T149-G159 WeakPolarHBondContact OG1-CA 3.25Å; T149-G159 PolarHBondContact OG1-N 2.75Å; G159-C177 CarbonylContact O-C 3.49Å; G159-C177 VanDerWaalsContact O-CA 3.27Å; G159-C177 WeakPolarHBondContact O-CA 3.5Å; G159-H178 PolarHBondContact N-O 3.12Å; G159-H178 PolarHBondContact O-N 3.05Å; G159-I196 WeakPolarHBondContact O-CD1 3.39Å
160	G	91.5	Very high	82.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	155.2	179.4	0	0	0	0	0	114.2	A146 V147 N176	A146-G160 WeakPolarHBondContact CA-O 3.35Å; V147-G160 PolarHBondContact N-O 3.03Å; V147-G160 PolarHBondContact O-N 2.91Å; G160-N176 CarbonylContact C-O 3.3Å; G160-N176 WeakPolarHBondContact CA-O 3.14Å
161	V	92.1	Very high	83.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.6	171.2	-61.9	0	0	0	0	109.4	V118 L120 I123 L125 A145 A146 N176	V118-V161 HydrophobicContact CB-CB 4.48Å; V118-V161 HydrophobicContact CG1-CB 3.75Å; V118-V161 HydrophobicContact CG1-CG2 3.87Å; V118-V161 HydrophobicContact CG2-CB 3.98Å; V118-V161 HydrophobicContact CG2-CG1 4.19Å; L120-V161 HydrophobicContact CB-CG1 3.33Å; I123-V161 HydrophobicContact CG2-CG1 4.42Å; I123-V161 HydrophobicContact CG2-CG2 3.87Å; L125-V161 HydrophobicContact CB-CG2 3.69Å; L125-V161 HydrophobicContact CD2-CG2 4.34Å; A145-V161 CarbonylContact O-C 3.59Å; A145-V161 WeakPolarHBondContact O-CA 3.28Å; A146-V161 HydrophobicContact CB-CG1 3.91Å; V161-N176 HydrophobicContact CG2-CB 3.79Å; V161-N176 PolarHBondContact N-O 3.41Å; V161-N176 PolarHBondContact O-N 2.77Å
162	S	95.4	Very high	84.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.3	-178.1	-165.9	0	0	0	0	112.1	V144 A145 C173 L174 F201	V144-S162 VanDerWaalsContact CA-O 3.26Å; V144-S162 WeakPolarHBondContact CA-O 3.25Å; A145-S162 PolarHBondContact N-O 3.35Å; A145-S162 PolarHBondContact O-N 2.71Å; S162-C173 PolarHBondContact OG-SG 3.23Å; S162-L174 CarbonylContact C-O 3.55Å; S162-L174 WeakPolarHBondContact CA-O 3.22Å; S162-L174 PolarHBondContact OG-O 3.43Å; S162-L174 VanDerWaalsContact OG-O 3.11Å; S162-F201 WeakPolarHBondContact OG-CZ 3.4Å
163	I	94	Very high	86.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.3	165.2	-59.4	178.4	0	0	0	107.1	K116 V118 L125 L127 I142 V144 F165 L174	K116-I163 HydrophobicContact CB-CD1 4.04Å; K116-I163 HydrophobicContact CB-CG2 4.31Å; K116-I163 HydrophobicContact CG-CD1 4.16Å; K116-I163 HydrophobicContact CG-CG2 4.38Å; V118-I163 HydrophobicContact CB-CG1 4.32Å; V118-I163 HydrophobicContact CG1-CD1 3.97Å; V118-I163 HydrophobicContact CG1-CG1 3.52Å; L125-I163 HydrophobicContact CD1-CD1 3.81Å; L125-I163 HydrophobicContact CD1-CG1 4.41Å; L125-I163 HydrophobicContact CD2-CB 4.11Å; L125-I163 HydrophobicContact CD2-CD1 3.97Å; L125-I163 HydrophobicContact CD2-CG1 3.62Å; L125-I163 HydrophobicContact CG-CD1 3.51Å; L125-I163 HydrophobicContact CG-CG1 3.76Å; L127-I163 HydrophobicContact CB-CD1 4.04Å; L127-I163 HydrophobicContact CD2-CG2 4.06Å; I142-I163 HydrophobicContact CG2-CG2 4.13Å; V144-I163 HydrophobicContact CG1-CB 4.45Å; V144-I163 HydrophobicContact CG1-CG1 3.9Å; V144-I163 HydrophobicContact CG1-CG2 4.4Å; I163-F165 HydrophobicContact CG2-CD1 4.29Å; I163-L174 HydrophobicContact CB-CD1 4.42Å; I163-L174 PolarHBondContact N-O 3.17Å; I163-L174 PolarHBondContact O-N 2.67Å
164	R	94.3	Very high	87.7	Confident	8 Å²	8	25.4 Å²	25.4	3%	0.03	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	150.9	168.1	72	84.3	58.6	-175.6	6.3	111	D141 I142 D143 C172 C173 F201 H216	D141-R164 WeakPolarHBondContact O-CD 3.42Å; D141-R164 PolarHBondContact O-NH1 3.41Å; I142-R164 VanDerWaalsContact CA-O 3.3Å; I142-R164 WeakPolarHBondContact CA-O 3.48Å; D143-R164 HydrophobicContact CB-CG 3.87Å; D143-R164 PolarHBondContact N-O 3.49Å; D143-R164 PolarHBondContact O-N 2.79Å; R164-C172 CarbonylContact C-O 3.43Å; R164-C172 VanDerWaalsContact CA-O 3.27Å; R164-C172 WeakPolarHBondContact CA-O 3.02Å; R164-C173 HydrophobicContact CB-CB 4.39Å; R164-F201 HydrophobicContact CB-CD1 4.37Å; R164-F201 HydrophobicContact CB-CD2 4.31Å; R164-F201 HydrophobicContact CB-CE1 3.95Å; R164-F201 HydrophobicContact CB-CE2 3.89Å; R164-F201 HydrophobicContact CB-CZ 3.69Å; R164-F201 HydrophobicContact CG-CB 4.33Å; R164-F201 HydrophobicContact CG-CD1 3.53Å; R164-F201 HydrophobicContact CG-CD2 3.76Å; R164-F201 HydrophobicContact CG-CE1 3.61Å; R164-F201 HydrophobicContact CG-CE2 3.85Å; R164-F201 HydrophobicContact CG-CG 3.61Å; R164-F201 HydrophobicContact CG-CZ 3.76Å; R164-H216 WeakPolarHBondContact CB-NE2 3.11Å; R164-H216 PolarHBondContact NE-NE2 2.73Å; R164-H216 PolarHBondContact NH2-NE2 3.24Å; R164-H216 VanDerWaalsContact NH2-NE2 3.16Å
165	F	92.3	Very high	89.4	Confident	4 Å²	4	15.1 Å²	15.1	2%	0.018	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	161	177.6	58.2	-80.8	0	0	0	110.6	L127 I139 I142 I163 I167 C172 L174	L127-F165 HydrophobicContact CD1-CE1 4.35Å; L127-F165 HydrophobicContact CD1-CZ 4.38Å; L127-F165 HydrophobicContact CD2-CD1 3.89Å; L127-F165 HydrophobicContact CD2-CE1 4.05Å; L127-F165 HydrophobicContact CD2-CG 4.33Å; I139-F165 HydrophobicContact CD1-CD2 4.4Å; I139-F165 HydrophobicContact CD1-CE2 4.26Å; I139-F165 HydrophobicContact CG1-CD2 4.28Å; I139-F165 HydrophobicContact CG1-CE2 4.43Å; I139-F165 HydrophobicContact CG2-CB 3.84Å; I139-F165 HydrophobicContact CG2-CD2 3.64Å; I139-F165 HydrophobicContact CG2-CE2 4.48Å; I139-F165 HydrophobicContact CG2-CG 3.94Å; I142-F165 HydrophobicContact CG1-CB 3.89Å; I163-F165 HydrophobicContact CG2-CD1 4.29Å; F165-I167 HydrophobicContact CD2-CB 4.14Å; F165-I167 HydrophobicContact CE2-CB 3.94Å; F165-I167 HydrophobicContact CE2-CD1 4.31Å; F165-I167 HydrophobicContact CE2-CG2 4.33Å; F165-C172 HydrophobicContact CD1-CB 4.42Å; F165-C172 HydrophobicContact CD2-CB 4.28Å; F165-C172 HydrophobicContact CE1-CB 3.94Å; F165-C172 HydrophobicContact CE2-CB 3.83Å; F165-C172 HydrophobicContact CZ-CB 3.63Å; F165-C172 VanDerWaalsContact CZ-SG 3.58Å; F165-C172 PolarHBondContact N-O 2.72Å; F165-C172 PolarHBondContact O-N 2.88Å; F165-L174 HydrophobicContact CE1-CD1 3.76Å; F165-L174 HydrophobicContact CE1-CD2 4.37Å; F165-L174 HydrophobicContact CE1-CG 3.85Å
166	R	91.7	Very high	90.5	Very high	62 Å²	62	11.8 Å²	11.8	23%	0.234	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.2	166.1	-168.9	171.7	176.4	86.3	-4.6	108.6	I139 R140 D141 F168 D169 S170	I139-R166 CarbonylContact C-O 3.45Å; I139-R166 VanDerWaalsContact CA-O 3.32Å; I139-R166 WeakPolarHBondContact CA-O 3.45Å; R140-R166 HydrophobicContact CG-CB 4.09Å; R140-R166 PolarHBondContact N-O 2.9Å; R140-R166 PolarHBondContact O-N 2.99Å; D141-R166 HydrophobicContact CB-CB 3.89Å; D141-R166 WeakPolarHBondContact OD2-CD 3.41Å; R166-F168 PolarHBondContact NE-O 3.29Å; R166-D169 VanDerWaalsContact CZ-C 3.44Å; R166-D169 VanDerWaalsContact CZ-CA 3.42Å; R166-D169 VanDerWaalsContact CZ-O 3.24Å; R166-D169 IonicContact CZ-OD1 3.02Å; R166-D169 IonicContact NE-OD1 2.59Å; R166-D169 PolarHBondContact NH1-O 3.06Å; R166-D169 PolarHBondContact NH2-O 3.38Å; R166-D169 IonicContact NH2-OD1 2.76Å; R166-D169 PolarHBondContact NH2-OD1 2.91Å; R166-S170 CarbonylContact C-O 3.45Å; R166-S170 VanDerWaalsContact CA-O 3.32Å; R166-S170 WeakPolarHBondContact CA-O 3.27Å; R166-S170 WeakPolarHBondContact CG-O 3.41Å
167	I	87.9	Confident	91.6	Very high	3 Å²	3	11.5 Å²	11.5	2%	0.015	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.9	176	-176.7	163.1	0	0	0	107.5	Y72 A138 F165 D169 S170 C172	Y72-I167 HydrophobicContact CE1-CD1 3.95Å; Y72-I167 HydrophobicContact CE2-CD1 3.7Å; Y72-I167 WeakPolarHBondContact OH-CD1 3.25Å; A138-I167 CarbonylContact O-C 3.54Å; A138-I167 VanDerWaalsContact O-CA 3.29Å; A138-I167 WeakPolarHBondContact O-CA 3.08Å; F165-I167 HydrophobicContact CD2-CB 4.14Å; F165-I167 HydrophobicContact CE2-CB 3.94Å; F165-I167 HydrophobicContact CE2-CD1 4.31Å; F165-I167 HydrophobicContact CE2-CG2 4.33Å; I167-D169 PolarHBondContact O-N 3.28Å; I167-S170 PolarHBondContact N-O 3.24Å; I167-S170 PolarHBondContact O-N 3.37Å; I167-C172 HydrophobicContact CG2-CB 4.47Å
168	F	88.8	Confident	92.2	Very high	35 Å²	35	9 Å²	9	15%	0.154	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	-106.4	-163	-55.2	-71.7	0	0	0	111.2	L133 A138 R140 R166 A338 K339 V340	L133-F168 HydrophobicContact CD2-CE2 4.18Å; L133-F168 HydrophobicContact CD2-CZ 3.68Å; A138-F168 HydrophobicContact CB-CD1 3.89Å; A138-F168 HydrophobicContact CB-CE1 3.55Å; A138-F168 HydrophobicContact CB-CE2 4.5Å; A138-F168 HydrophobicContact CB-CG 4.49Å; A138-F168 HydrophobicContact CB-CZ 3.91Å; A138-F168 PolarHBondContact O-N 3.1Å; R140-F168 PolarHBondContact NE-O 3.48Å; R140-F168 PolarHBondContact NH2-O 3.26Å; R166-F168 PolarHBondContact NE-O 3.29Å; F168-A338 HydrophobicContact CD2-CB 3.61Å; F168-A338 HydrophobicContact CE2-CB 4.32Å; F168-K339 VanDerWaalsContact CB-O 3.25Å; F168-K339 WeakPolarHBondContact CB-O 3.44Å; F168-V340 HydrophobicContact CB-CG2 3.95Å; F168-V340 HydrophobicContact CD1-CG2 4.29Å; F168-V340 HydrophobicContact CD2-CG2 4.35Å; F168-V340 HydrophobicContact CG-CG2 3.97Å
169	D	90.8	Very high	92.7	Very high	21 Å²	21	7.6 Å²	7.6	11%	0.112	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	14.3	177	-65.7	-62.8	0	0	0	115	R140 R166 I167 K339 V341	R140-D169 IonicContact NH2-OD1 3.56Å; R140-D169 PolarHBondContact NH2-OD1 3.06Å; R166-D169 VanDerWaalsContact CZ-C 3.44Å; R166-D169 VanDerWaalsContact CZ-CA 3.42Å; R166-D169 VanDerWaalsContact CZ-O 3.24Å; R166-D169 IonicContact CZ-OD1 3.02Å; R166-D169 IonicContact NE-OD1 2.59Å; R166-D169 PolarHBondContact NH1-O 3.06Å; R166-D169 PolarHBondContact NH2-O 3.38Å; R166-D169 IonicContact NH2-OD1 2.76Å; R166-D169 PolarHBondContact NH2-OD1 2.91Å; I167-D169 PolarHBondContact O-N 3.28Å; D169-K339 WeakPolarHBondContact CA-O 3.37Å; D169-K339 HydrophobicContact CB-CB 4.07Å; D169-K339 VanDerWaalsContact CB-O 3.29Å; D169-K339 WeakPolarHBondContact CB-O 3.36Å; D169-K339 PolarHBondContact N-O 3.08Å; D169-V341 HydrophobicContact CB-CG2 3.92Å; D169-V341 WeakPolarHBondContact OD2-CB 3.38Å; D169-V341 WeakPolarHBondContact OD2-CG2 3.47Å; D169-V341 PolarHBondContact OD2-N 2.87Å
170	S	90.9	Very high	92.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	147.9	172.4	-74.5	0	0	0	0	112.2	R166 I167 D217 K339	R166-S170 CarbonylContact C-O 3.45Å; R166-S170 VanDerWaalsContact CA-O 3.32Å; R166-S170 WeakPolarHBondContact CA-O 3.27Å; R166-S170 WeakPolarHBondContact CG-O 3.41Å; I167-S170 PolarHBondContact N-O 3.24Å; I167-S170 PolarHBondContact O-N 3.37Å; S170-D217 VanDerWaalsContact CA-OD2 3.27Å; S170-D217 WeakPolarHBondContact CA-OD2 3.48Å; S170-K339 PolarHBondContact OG-N 2.94Å
171	T	93.4	Very high	92.6	Very high	21 Å²	21	11.2 Å²	11.2	13%	0.129	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.6	176.8	55.1	0	0	0	0	111.6	H216 D217 Y218	T171-H216 WeakPolarHBondContact OG1-CA 3.39Å; T171-D217 PolarHBondContact N-OD2 2.95Å; T171-D217 WeakPolarHBondContact O-CB 3.19Å; T171-D217 PolarHBondContact O-N 3.04Å; T171-D217 VanDerWaalsContact O-N 3.12Å; T171-D217 PolarHBondContact OG1-N 2.94Å; T171-D217 PolarHBondContact OG1-OD2 3.22Å; T171-Y218 PolarHBondContact O-N 2.91Å
172	C	92.4	Very high	92.4	Very high	1 Å²	1	12 Å²	12	1%	0.007	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.4	-177.8	-172.4	0	0	0	0	111.1	R164 F165 I167 Y218	R164-C172 CarbonylContact C-O 3.43Å; R164-C172 VanDerWaalsContact CA-O 3.27Å; R164-C172 WeakPolarHBondContact CA-O 3.02Å; F165-C172 HydrophobicContact CD1-CB 4.42Å; F165-C172 HydrophobicContact CD2-CB 4.28Å; F165-C172 HydrophobicContact CE1-CB 3.94Å; F165-C172 HydrophobicContact CE2-CB 3.83Å; F165-C172 HydrophobicContact CZ-CB 3.63Å; F165-C172 VanDerWaalsContact CZ-SG 3.58Å; F165-C172 PolarHBondContact N-O 2.72Å; F165-C172 PolarHBondContact O-N 2.88Å; I167-C172 HydrophobicContact CG2-CB 4.47Å; C172-Y218 CarbonylContact C-O 3.39Å; C172-Y218 VanDerWaalsContact CA-O 3.26Å; C172-Y218 WeakPolarHBondContact CA-O 3.5Å
173	C	95.1	Very high	92.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.1	175.6	-176.2	0	0	0	0	110.9	S162 R164 H216 Y218 I219 F220	S162-C173 PolarHBondContact OG-SG 3.23Å; R164-C173 HydrophobicContact CB-CB 4.39Å; C173-H216 HydrophobicContact CB-CB 3.96Å; C173-Y218 PolarHBondContact N-O 3.02Å; C173-I219 WeakPolarHBondContact O-CA 3.44Å; C173-F220 PolarHBondContact O-N 3.23Å
174	L	94.7	Very high	92	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.1	-177.7	-51.1	172.2	0	0	0	110.2	K74 L125 L127 S162 I163 F165 F220 F222	K74-L174 HydrophobicContact CD-CD1 3.85Å; L125-L174 HydrophobicContact CD1-CD1 4.45Å; L125-L174 HydrophobicContact CD2-CB 4.23Å; L125-L174 WeakPolarHBondContact CD2-O 3.38Å; L127-L174 HydrophobicContact CD1-CD1 4.31Å; S162-L174 CarbonylContact C-O 3.55Å; S162-L174 WeakPolarHBondContact CA-O 3.22Å; S162-L174 PolarHBondContact OG-O 3.43Å; S162-L174 VanDerWaalsContact OG-O 3.11Å; I163-L174 HydrophobicContact CB-CD1 4.42Å; I163-L174 PolarHBondContact N-O 3.17Å; I163-L174 PolarHBondContact O-N 2.67Å; F165-L174 HydrophobicContact CE1-CD1 3.76Å; F165-L174 HydrophobicContact CE1-CD2 4.37Å; F165-L174 HydrophobicContact CE1-CG 3.85Å; L174-F220 CarbonylContact C-O 3.59Å; L174-F220 WeakPolarHBondContact CA-O 3.26Å; L174-F220 HydrophobicContact CD2-CB 4.01Å; L174-F220 HydrophobicContact CD2-CD2 3.93Å; L174-F220 HydrophobicContact CD2-CG 4.33Å; L174-F222 HydrophobicContact CB-CZ 4.42Å
175	V	96.2	Very high	92	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.9	-177.3	-170.8	0	0	0	0	109.7	I196 I213 F220 W221 F222	V175-I196 HydrophobicContact CG1-CG2 3.75Å; V175-I213 HydrophobicContact CG2-CD1 3.82Å; V175-I213 HydrophobicContact CG2-CG1 4.13Å; V175-I213 HydrophobicContact CG2-CG2 4.03Å; V175-F220 PolarHBondContact N-O 3.21Å; V175-W221 HydrophobicContact CB-CB 4.36Å; V175-W221 HydrophobicContact CB-CD2 3.66Å; V175-W221 HydrophobicContact CB-CE3 3.99Å; V175-W221 HydrophobicContact CB-CG 3.83Å; V175-W221 HydrophobicContact CG1-CD2 3.65Å; V175-W221 HydrophobicContact CG1-CE3 4.08Å; V175-W221 HydrophobicContact CG1-CG 4.13Å; V175-W221 HydrophobicContact CG1-CH2 4.27Å; V175-W221 HydrophobicContact CG1-CZ2 3.85Å; V175-W221 HydrophobicContact CG1-CZ3 4.37Å; V175-W221 HydrophobicContact CG2-CD2 4.14Å; V175-W221 HydrophobicContact CG2-CE3 3.92Å; V175-W221 HydrophobicContact CG2-CZ3 4.38Å; V175-W221 WeakPolarHBondContact O-CA 3.2Å; V175-F222 WeakPolarHBondContact O-CE2 3.46Å; V175-F222 WeakPolarHBondContact O-CZ 3.03Å; V175-F222 PolarHBondContact O-N 3.43Å
176	N	93.5	Very high	92.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.3	166.5	-168.1	9.1	0	0	0	109.5	Q78 I123 Y124 L125 G160 V161 F222	Q78-N176 PolarHBondContact NE2-ND2 3.48Å; Q78-N176 PolarHBondContact NE2-OD1 3.37Å; I123-N176 HydrophobicContact CG2-CB 4.22Å; Y124-N176 PolarHBondContact O-ND2 3.16Å; L125-N176 HydrophobicContact CB-CB 4.13Å; L125-N176 HydrophobicContact CD2-CB 4.46Å; G160-N176 CarbonylContact C-O 3.3Å; G160-N176 WeakPolarHBondContact CA-O 3.14Å; V161-N176 HydrophobicContact CG2-CB 3.79Å; V161-N176 PolarHBondContact N-O 3.41Å; V161-N176 PolarHBondContact O-N 2.77Å; N176-F222 CarbonylContact C-O 3.46Å; N176-F222 VanDerWaalsContact CA-CE2 3.46Å; N176-F222 WeakPolarHBondContact CA-O 3.47Å; N176-F222 HydrophobicContact CB-CE2 3.7Å; N176-F222 HydrophobicContact CB-CZ 4.47Å; N176-F222 PolarHBondContact OD1-O 3.34Å
177	C	93.7	Very high	92.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	161.6	177.5	65.3	0	0	0	0	114.1	G159 F179 I196 W221 F222 G223 D224	G159-C177 CarbonylContact O-C 3.49Å; G159-C177 VanDerWaalsContact O-CA 3.27Å; G159-C177 WeakPolarHBondContact O-CA 3.5Å; C177-F179 HydrophobicContact CB-CD1 3.82Å; C177-F179 HydrophobicContact CB-CE1 3.35Å; C177-F179 HydrophobicContact CB-CZ 4.1Å; C177-F179 WeakPolarHBondContact SG-CE1 3.47Å; C177-I196 HydrophobicContact CB-CD1 4.18Å; C177-W221 PolarHBondContact SG-NE1 2.81Å; C177-F222 PolarHBondContact N-O 3.25Å; C177-G223 WeakPolarHBondContact O-CA 3.46Å; C177-D224 PolarHBondContact O-N 3.19Å
178	H	91	Very high	92.6	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.019	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	99.7	166	-171.8	166.5	0	0	0	108.1	E79 I123 K158 G159 D224 N226	E79-H178 IonicContact OE1-CE1 3.02Å; E79-H178 PolarHBondContact OE1-CE1 3Å; E79-H178 IonicContact OE1-NE2 3.98Å; I123-H178 HydrophobicContact CD1-CB 3.7Å; I123-H178 HydrophobicContact CG1-CB 3.82Å; K158-H178 CarbonylContact C-O 3.46Å; K158-H178 WeakPolarHBondContact CA-O 3.45Å; K158-H178 WeakPolarHBondContact CB-O 3.48Å; K158-H178 HydrophobicContact CD-CB 4.46Å; K158-H178 VanDerWaalsContact CD-CD2 3.47Å; K158-H178 WeakPolarHBondContact CD-CD2 3.13Å; K158-H178 WeakPolarHBondContact CD-O 3.07Å; K158-H178 WeakPolarHBondContact CE-NE2 3.05Å; K158-H178 PolarHBondContact NZ-CE1 3.38Å; K158-H178 PolarHBondContact NZ-NE2 3.42Å; G159-H178 PolarHBondContact N-O 3.12Å; G159-H178 PolarHBondContact O-N 3.05Å; H178-D224 CarbonylContact C-O 3.46Å; H178-D224 VanDerWaalsContact CA-O 3.28Å; H178-D224 WeakPolarHBondContact CA-O 3.22Å; H178-D224 IonicContact CD2-OD2 3.49Å; H178-D224 IonicContact NE2-OD2 2.67Å; H178-D224 PolarHBondContact NE2-OD2 3.31Å; H178-N226 PolarHBondContact NE2-ND2 3.44Å
179	F	94.4	Very high	92.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-84.8	166.5	-177.5	-58.8	-17.5	0	0	0	112.3	K158 C177 S181 R189 D192 I196 W221 D224 M225 N226 Y227 F265	K158-F179 WeakPolarHBondContact CD-O 3.09Å; C177-F179 HydrophobicContact CB-CD1 3.82Å; C177-F179 HydrophobicContact CB-CE1 3.35Å; C177-F179 HydrophobicContact CB-CZ 4.1Å; C177-F179 WeakPolarHBondContact SG-CE1 3.47Å; F179-S181 PolarHBondContact O-N 2.82Å; F179-R189 HydrophobicContact CB-CB 4.3Å; F179-R189 HydrophobicContact CB-CG 3.91Å; F179-R189 HydrophobicContact CD2-CB 4.33Å; F179-D192 WeakPolarHBondContact CA-OD2 3.39Å; F179-D192 HydrophobicContact CB-CB 4.26Å; F179-D192 HydrophobicContact CD1-CB 3.77Å; F179-D192 HydrophobicContact CE1-CB 4.35Å; F179-D192 HydrophobicContact CG-CB 4.09Å; F179-I196 HydrophobicContact CD1-CD1 3.95Å; F179-I196 HydrophobicContact CE1-CD1 3.5Å; F179-I196 VanDerWaalsContact CE1-CD1 3.5Å; F179-W221 HydrophobicContact CZ-CZ2 4.33Å; F179-W221 AromaticContact CZ-NE1 3.88Å; F179-D224 PolarHBondContact N-O 3.46Å; F179-M225 HydrophobicContact CD2-CB 3.79Å; F179-M225 HydrophobicContact CD2-CG 4.25Å; F179-M225 WeakPolarHBondContact CD2-O 2.78Å; F179-M225 HydrophobicContact CE2-CB 3.97Å; F179-M225 HydrophobicContact CE2-CG 3.99Å; F179-M225 HydrophobicContact CE2-SD 4.28Å; F179-N226 PolarHBondContact O-ND2 2.86Å; F179-Y227 AromaticContact CD2-CE2 3.95Å; F179-Y227 HydrophobicContact CD2-CE2 3.95Å; F179-Y227 HydrophobicContact CE2-CE2 4.05Å; F179-F265 HydrophobicContact CE2-CE2 4.05Å; F179-F265 HydrophobicContact CE2-CZ 4.13Å; F179-F265 HydrophobicContact CZ-CE2 4.33Å; F179-F265 AromaticContact CZ-CZ 3.97Å; F179-F265 HydrophobicContact CZ-CZ 3.97Å
180	A	93	Very high	93.2	Very high	13 Å²	13	29.2 Å²	29.2	11%	0.107	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-53.8	134.2	178.9	0	0	0	0	0	113.3	R188 R189 D192 N226	A180-R188 HydrophobicContact CB-CB 4.08Å; A180-R188 HydrophobicContact CB-CG 3.31Å; A180-R189 HydrophobicContact CB-CG 4.44Å; A180-R189 WeakPolarHBondContact O-CD 3.43Å; A180-R189 WeakPolarHBondContact O-CG 3.1Å; A180-R189 PolarHBondContact O-NH1 2.81Å; A180-D192 WeakPolarHBondContact CB-OD2 3.29Å; A180-D192 PolarHBondContact N-OD2 2.66Å; A180-N226 VanDerWaalsContact O-CB 3.31Å; A180-N226 WeakPolarHBondContact O-CB 3.39Å
181	S	89.4	Confident	93.4	Very high	64 Å²	64	32.6 Å²	32.6	45%	0.448	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-91.8	158.7	-178.7	61.9	0	0	0	0	111.9	F179 E185	F179-S181 PolarHBondContact O-N 2.82Å; S181-E185 WeakPolarHBondContact O-CG 3.34Å
182	G	88.6	Confident	93.5	Very high	16 Å²	16	31.7 Å²	31.7	17%	0.165	17%	0.168	C	C	.	.	S	Bend	trans	111	135.7	-178.6	0	0	0	0	0	112.1	D184 E185 R189	G182-D184 VanDerWaalsContact C-N 3.28Å; G182-D184 PolarHBondContact O-N 2.87Å; G182-E185 PolarHBondContact O-N 3.22Å; G182-R189 PolarHBondContact O-NH1 3.45Å; G182-R189 PolarHBondContact O-NH2 2.75Å; G182-R189 VanDerWaalsContact O-NH2 3.17Å
183	V	88	Confident	93.7	Very high	52 Å²	52	32.7 Å²	32.7	32%	0.315	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-36.2	-174.4	62.7	0	0	0	0	112.3	E185 R189 R228 Q254	V183-E185 VanDerWaalsContact C-N 3.33Å; V183-E185 PolarHBondContact O-N 2.89Å; V183-R189 PolarHBondContact O-NH2 2.71Å; V183-R228 HydrophobicContact CB-CB 4.29Å; V183-R228 HydrophobicContact CB-CG 4.22Å; V183-R228 HydrophobicContact CG2-CB 3.92Å; V183-R228 HydrophobicContact CG2-CG 4.4Å; V183-Q254 PolarHBondContact O-NE2 3.34Å
184	D	91.4	Very high	93.7	Very high	146 Å²	146	36.6 Å²	36.6	78%	0.781	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.4	-177.6	-51.3	-56.3	0	0	0	113.9	G182 L186	G182-D184 VanDerWaalsContact C-N 3.28Å; G182-D184 PolarHBondContact O-N 2.87Å; D184-L186 PolarHBondContact O-N 3.07Å; D184-L186 VanDerWaalsContact O-N 3.11Å
185	E	94.4	Very high	93.8	Very high	93 Å²	93	38.4 Å²	38.4	44%	0.435	20%	0.198	S	C	.	.			trans	-87	34.4	-175.7	-65.5	-62.9	153.2	0	0	113.3	S181 G182 V183 R188 R189	S181-E185 WeakPolarHBondContact O-CG 3.34Å; G182-E185 PolarHBondContact O-N 3.22Å; V183-E185 VanDerWaalsContact C-N 3.33Å; V183-E185 PolarHBondContact O-N 2.89Å; E185-R188 HydrophobicContact CB-CB 4.16Å; E185-R188 WeakPolarHBondContact O-CB 3.33Å; E185-R188 PolarHBondContact O-N 3.25Å; E185-R188 WeakPolarHBondContact OE2-CB 3.06Å; E185-R189 PolarHBondContact O-N 3.39Å; E185-R189 VanDerWaalsContact O-N 3.1Å; E185-R189 PolarHBondContact O-NH1 3.19Å
186	L	95	Very high	93.8	Very high	30 Å²	30	38.4 Å²	38.4	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-58.8	-52.8	-175.9	175.9	57	0	0	0	111.9	D184 R188 R189 N190 Y227 Q254 M258	D184-L186 PolarHBondContact O-N 3.07Å; D184-L186 VanDerWaalsContact O-N 3.11Å; L186-R188 PolarHBondContact O-N 3.45Å; L186-R189 WeakPolarHBondContact O-CB 3.37Å; L186-R189 PolarHBondContact O-N 3.38Å; L186-R189 VanDerWaalsContact O-N 3.13Å; L186-N190 PolarHBondContact O-N 3.03Å; L186-Y227 HydrophobicContact CD1-CD1 3.73Å; L186-Y227 HydrophobicContact CD1-CE1 3.58Å; L186-Q254 HydrophobicContact CD1-CB 3.78Å; L186-Q254 HydrophobicContact CD1-CG 4.11Å; L186-Q254 HydrophobicContact CD2-CG 4.43Å; L186-M258 HydrophobicContact CD1-CG 3.94Å; L186-M258 HydrophobicContact CD1-SD 4.49Å; L186-M258 HydrophobicContact CD2-CE 4.19Å; L186-M258 HydrophobicContact CD2-CG 4.48Å; L186-M258 HydrophobicContact CD2-SD 4.15Å; L186-M258 HydrophobicContact CG-SD 4.48Å
187	E	95	Very high	93.9	Very high	105 Å²	105	39.2 Å²	39.2	49%	0.491	20%	0.203	S	C	.	.	H	α-helix	trans	-68.3	-26.2	-177.5	-170.1	53	-150.5	0	0	111.8	N190 Q191 R194	E187-N190 PolarHBondContact O-N 2.82Å; E187-N190 PolarHBondContact OE2-ND2 3.49Å; E187-Q191 WeakPolarHBondContact O-CB 3.47Å; E187-Q191 PolarHBondContact O-N 2.89Å; E187-R194 IonicContact OE1-CZ 3.06Å; E187-R194 VanDerWaalsContact OE1-CZ 3.28Å; E187-R194 IonicContact OE1-NH1 2.75Å; E187-R194 PolarHBondContact OE1-NH1 2.99Å; E187-R194 IonicContact OE1-NH2 2.75Å; E187-R194 PolarHBondContact OE1-NH2 2.99Å; E187-R194 IonicContact OE2-NH2 3.7Å
188	R	94.4	Very high	94	Very high	68 Å²	68	46.9 Å²	46.9	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-66.6	-41.2	173.1	-177.7	64.7	-167.6	-171.1	-2.8	111.8	T149 N153 A180 E185 L186 Q191 D192	T149-R188 PolarHBondContact O-NH2 2.93Å; N153-R188 PolarHBondContact OD1-NH1 2.86Å; N153-R188 PolarHBondContact OD1-NH2 3.06Å; A180-R188 HydrophobicContact CB-CB 4.08Å; A180-R188 HydrophobicContact CB-CG 3.31Å; E185-R188 HydrophobicContact CB-CB 4.16Å; E185-R188 WeakPolarHBondContact O-CB 3.33Å; E185-R188 PolarHBondContact O-N 3.25Å; E185-R188 WeakPolarHBondContact OE2-CB 3.06Å; L186-R188 PolarHBondContact O-N 3.45Å; R188-Q191 WeakPolarHBondContact O-CB 3.27Å; R188-Q191 PolarHBondContact O-N 3.11Å; R188-D192 IonicContact NE-OD1 2.83Å; R188-D192 IonicContact NH2-OD1 3.83Å; R188-D192 PolarHBondContact O-N 2.73Å
189	R	95.6	Very high	94.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-41.6	172.2	-71	-177.1	-81	-75.6	4.9	112.3	F179 A180 G182 V183 E185 L186 Q191 D192 Y193 M225 N226 Y227	F179-R189 HydrophobicContact CB-CB 4.3Å; F179-R189 HydrophobicContact CB-CG 3.91Å; F179-R189 HydrophobicContact CD2-CB 4.33Å; A180-R189 HydrophobicContact CB-CG 4.44Å; A180-R189 WeakPolarHBondContact O-CD 3.43Å; A180-R189 WeakPolarHBondContact O-CG 3.1Å; A180-R189 PolarHBondContact O-NH1 2.81Å; G182-R189 PolarHBondContact O-NH1 3.45Å; G182-R189 PolarHBondContact O-NH2 2.75Å; G182-R189 VanDerWaalsContact O-NH2 3.17Å; V183-R189 PolarHBondContact O-NH2 2.71Å; E185-R189 PolarHBondContact O-N 3.39Å; E185-R189 VanDerWaalsContact O-N 3.1Å; E185-R189 PolarHBondContact O-NH1 3.19Å; L186-R189 WeakPolarHBondContact O-CB 3.37Å; L186-R189 PolarHBondContact O-N 3.38Å; L186-R189 VanDerWaalsContact O-N 3.13Å; R189-Q191 PolarHBondContact O-N 3.22Å; R189-D192 PolarHBondContact O-N 2.85Å; R189-Y193 PolarHBondContact O-N 3.38Å; R189-M225 WeakPolarHBondContact CD-O 3.43Å; R189-N226 WeakPolarHBondContact CD-O 3.36Å; R189-N226 PolarHBondContact NE-O 3.16Å; R189-Y227 HydrophobicContact CB-CE1 3.99Å; R189-Y227 HydrophobicContact CB-CE2 4.35Å
190	N	96.3	Very high	94	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-41.2	173.7	-65.4	-16.8	0	0	0	110.7	L186 E187 Y193 R194 Y227 I264	L186-N190 PolarHBondContact O-N 3.03Å; E187-N190 PolarHBondContact O-N 2.82Å; E187-N190 PolarHBondContact OE2-ND2 3.49Å; N190-Y193 WeakPolarHBondContact O-CB 3.28Å; N190-Y193 PolarHBondContact O-N 2.88Å; N190-R194 WeakPolarHBondContact O-CG 3.27Å; N190-R194 PolarHBondContact O-N 3.02Å; N190-R194 VanDerWaalsContact O-N 3.07Å; N190-Y227 PolarHBondContact OD1-OH 3.46Å; N190-Y227 VanDerWaalsContact OD1-OH 3.05Å; N190-I264 HydrophobicContact CB-CG2 3.95Å
191	Q	95.3	Very high	94	Very high	70 Å²	70	51.6 Å²	51.6	33%	0.327	26%	0.256	S	S	.	.	H	α-helix	trans	-67.9	-39.8	176.8	-172.4	57.3	33.7	0	0	112.8	E187 R188 R189 Y193 R194 V195	E187-Q191 WeakPolarHBondContact O-CB 3.47Å; E187-Q191 PolarHBondContact O-N 2.89Å; R188-Q191 WeakPolarHBondContact O-CB 3.27Å; R188-Q191 PolarHBondContact O-N 3.11Å; R189-Q191 PolarHBondContact O-N 3.22Å; Q191-Y193 VanDerWaalsContact C-N 3.33Å; Q191-Y193 PolarHBondContact O-N 2.69Å; Q191-R194 PolarHBondContact O-N 2.74Å; Q191-V195 HydrophobicContact CG-CG2 4.49Å; Q191-V195 WeakPolarHBondContact O-CG2 3.45Å; Q191-V195 PolarHBondContact O-N 3.17Å
192	D	95.5	Very high	93.3	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.011	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-46.3	174.2	-73.3	-21.7	0	0	0	110.8	T149 F179 A180 R188 R189 R194 V195 I196	T149-D192 WeakPolarHBondContact CB-OD1 3.36Å; T149-D192 PolarHBondContact OG1-OD1 2.72Å; F179-D192 WeakPolarHBondContact CA-OD2 3.39Å; F179-D192 HydrophobicContact CB-CB 4.26Å; F179-D192 HydrophobicContact CD1-CB 3.77Å; F179-D192 HydrophobicContact CE1-CB 4.35Å; F179-D192 HydrophobicContact CG-CB 4.09Å; A180-D192 WeakPolarHBondContact CB-OD2 3.29Å; A180-D192 PolarHBondContact N-OD2 2.66Å; R188-D192 IonicContact NE-OD1 2.83Å; R188-D192 IonicContact NH2-OD1 3.83Å; R188-D192 PolarHBondContact O-N 2.73Å; R189-D192 PolarHBondContact O-N 2.85Å; D192-R194 PolarHBondContact O-N 2.98Å; D192-V195 PolarHBondContact O-N 3.03Å; D192-I196 WeakPolarHBondContact O-CD1 3.27Å; D192-I196 VanDerWaalsContact O-CG1 3.29Å; D192-I196 WeakPolarHBondContact O-CG1 3.36Å; D192-I196 PolarHBondContact O-N 3.46Å
193	Y	97.3	Very high	92.1	Very high	22 Å²	22	62.7 Å²	62.7	9%	0.086	29%	0.292	C	S	.	.	H	α-helix	trans	-53.5	-54.2	172	166.2	-102.6	0	0	0	110.9	R189 N190 Q191 V195 I196 S197 W221 I264 F265	R189-Y193 PolarHBondContact O-N 3.38Å; N190-Y193 WeakPolarHBondContact O-CB 3.28Å; N190-Y193 PolarHBondContact O-N 2.88Å; Q191-Y193 VanDerWaalsContact C-N 3.33Å; Q191-Y193 PolarHBondContact O-N 2.69Å; Y193-V195 VanDerWaalsContact C-N 3.25Å; Y193-V195 PolarHBondContact O-N 2.85Å; Y193-I196 PolarHBondContact O-N 3.27Å; Y193-S197 WeakPolarHBondContact CE2-OG 3.38Å; Y193-S197 VanDerWaalsContact O-CB 3.27Å; Y193-S197 WeakPolarHBondContact O-CB 3.27Å; Y193-S197 PolarHBondContact O-N 3.08Å; Y193-S197 PolarHBondContact O-OG 2.77Å; Y193-W221 AromaticContact CD2-CH2 3.77Å; Y193-W221 HydrophobicContact CD2-CH2 3.77Å; Y193-W221 AromaticContact CD2-CZ2 3.84Å; Y193-W221 HydrophobicContact CD2-CZ2 3.84Å; Y193-W221 HydrophobicContact CD2-CZ3 4.3Å; Y193-W221 HydrophobicContact CE2-CE3 4.47Å; Y193-W221 AromaticContact CE2-CH2 3.9Å; Y193-W221 HydrophobicContact CE2-CH2 3.9Å; Y193-W221 HydrophobicContact CE2-CZ2 4.34Å; Y193-W221 AromaticContact CE2-CZ3 3.98Å; Y193-W221 HydrophobicContact CE2-CZ3 3.98Å; Y193-I264 HydrophobicContact CD1-CB 3.91Å; Y193-I264 HydrophobicContact CD1-CG2 3.7Å; Y193-I264 HydrophobicContact CE1-CB 4.12Å; Y193-I264 HydrophobicContact CE1-CG2 4.24Å; Y193-I264 HydrophobicContact CG-CB 4.44Å; Y193-I264 HydrophobicContact CG-CG2 4.39Å; Y193-F265 AromaticContact CD2-CD1 3.92Å; Y193-F265 HydrophobicContact CD2-CD1 3.92Å; Y193-F265 HydrophobicContact CD2-CD2 4.1Å; Y193-F265 AromaticContact CD2-CE1 3.56Å; Y193-F265 HydrophobicContact CD2-CE1 3.56Å; Y193-F265 AromaticContact CD2-CE2 3.75Å; Y193-F265 HydrophobicContact CD2-CE2 3.75Å; Y193-F265 HydrophobicContact CD2-CG 4.17Å; Y193-F265 AromaticContact CD2-CZ 3.46Å; Y193-F265 HydrophobicContact CD2-CZ 3.46Å; Y193-F265 VanDerWaalsContact CD2-CZ 3.46Å; Y193-F265 AromaticContact CE2-CD1 3.42Å; Y193-F265 HydrophobicContact CE2-CD1 3.42Å; Y193-F265 VanDerWaalsContact CE2-CD1 3.42Å; Y193-F265 HydrophobicContact CE2-CD2 4.2Å; Y193-F265 AromaticContact CE2-CE1 3.46Å; Y193-F265 HydrophobicContact CE2-CE1 3.46Å; Y193-F265 VanDerWaalsContact CE2-CE1 3.46Å; Y193-F265 HydrophobicContact CE2-CE2 4.23Å; Y193-F265 AromaticContact CE2-CG 3.81Å; Y193-F265 HydrophobicContact CE2-CG 3.81Å; Y193-F265 AromaticContact CE2-CZ 3.88Å; Y193-F265 HydrophobicContact CE2-CZ 3.88Å; Y193-F265 HydrophobicContact CG-CE2 4.34Å; Y193-F265 HydrophobicContact CG-CZ 4.42Å; Y193-F265 VanDerWaalsContact CZ-N 3.28Å; Y193-F265 PolarHBondContact OH-N 2.9Å
194	R	96.1	Very high	90.5	Very high	82 Å²	82	64.2 Å²	64.2	31%	0.309	29%	0.294	S	S	.	.	H	α-helix	trans	-59.3	-33	-179	-67.9	179.2	-158.2	119.6	0.6	113.5	E187 N190 Q191 D192 K198	E187-R194 IonicContact OE1-CZ 3.06Å; E187-R194 VanDerWaalsContact OE1-CZ 3.28Å; E187-R194 IonicContact OE1-NH1 2.75Å; E187-R194 PolarHBondContact OE1-NH1 2.99Å; E187-R194 IonicContact OE1-NH2 2.75Å; E187-R194 PolarHBondContact OE1-NH2 2.99Å; E187-R194 IonicContact OE2-NH2 3.7Å; N190-R194 WeakPolarHBondContact O-CG 3.27Å; N190-R194 PolarHBondContact O-N 3.02Å; N190-R194 VanDerWaalsContact O-N 3.07Å; Q191-R194 PolarHBondContact O-N 2.74Å; D192-R194 PolarHBondContact O-N 2.98Å; R194-K198 WeakPolarHBondContact O-CG 3.32Å
195	V	95.3	Very high	88.3	Confident	39 Å²	39	62.3 Å²	62.3	24%	0.236	29%	0.292	C	S	.	.	H	α-helix	trans	-74.6	-46.5	177.6	171.7	0	0	0	0	110.7	V147 T149 Q191 D192 Y193 S197 K198	V147-V195 HydrophobicContact CG1-CG1 3.64Å; T149-V195 HydrophobicContact CG2-CB 3.98Å; T149-V195 HydrophobicContact CG2-CG1 3.69Å; Q191-V195 HydrophobicContact CG-CG2 4.49Å; Q191-V195 WeakPolarHBondContact O-CG2 3.45Å; Q191-V195 PolarHBondContact O-N 3.17Å; D192-V195 PolarHBondContact O-N 3.03Å; Y193-V195 VanDerWaalsContact C-N 3.25Å; Y193-V195 PolarHBondContact O-N 2.85Å; V195-S197 VanDerWaalsContact C-N 3.29Å; V195-S197 PolarHBondContact O-N 2.8Å; V195-K198 WeakPolarHBondContact O-CB 3.45Å; V195-K198 PolarHBondContact O-N 2.79Å; V195-K198 VanDerWaalsContact O-N 3.13Å
196	I	96	Very high	86.1	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-35	179.3	-64.7	158.5	0	0	0	110.7	T149 G159 V175 C177 F179 D192 Y193 K198 I199 I213 W221	T149-I196 HydrophobicContact CG2-CD1 4.39Å; T149-I196 HydrophobicContact CG2-CG1 4.06Å; G159-I196 WeakPolarHBondContact O-CD1 3.39Å; V175-I196 HydrophobicContact CG1-CG2 3.75Å; C177-I196 HydrophobicContact CB-CD1 4.18Å; F179-I196 HydrophobicContact CD1-CD1 3.95Å; F179-I196 HydrophobicContact CE1-CD1 3.5Å; F179-I196 VanDerWaalsContact CE1-CD1 3.5Å; D192-I196 WeakPolarHBondContact O-CD1 3.27Å; D192-I196 VanDerWaalsContact O-CG1 3.29Å; D192-I196 WeakPolarHBondContact O-CG1 3.36Å; D192-I196 PolarHBondContact O-N 3.46Å; Y193-I196 PolarHBondContact O-N 3.27Å; I196-K198 PolarHBondContact O-N 3.23Å; I196-I199 HydrophobicContact CG2-CD1 3.89Å; I196-I199 WeakPolarHBondContact O-CB 3.23Å; I196-I199 VanDerWaalsContact O-CG1 3.26Å; I196-I199 WeakPolarHBondContact O-CG1 3.23Å; I196-I199 PolarHBondContact O-N 3.46Å; I196-I213 VanDerWaalsContact O-CD1 3.22Å; I196-I213 WeakPolarHBondContact O-CD1 3.44Å; I196-W221 HydrophobicContact CB-CH2 4.02Å; I196-W221 HydrophobicContact CB-CZ2 3.82Å; I196-W221 HydrophobicContact CG2-CH2 3.64Å; I196-W221 HydrophobicContact CG2-CZ2 3.4Å
197	S	96.5	Very high	84.1	Confident	17 Å²	17	68 Å²	68	12%	0.119	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-18.4	173.8	-72.9	0	0	0	0	114.1	Y193 V195 F214 W221	Y193-S197 WeakPolarHBondContact CE2-OG 3.38Å; Y193-S197 VanDerWaalsContact O-CB 3.27Å; Y193-S197 WeakPolarHBondContact O-CB 3.27Å; Y193-S197 PolarHBondContact O-N 3.08Å; Y193-S197 PolarHBondContact O-OG 2.77Å; V195-S197 VanDerWaalsContact C-N 3.29Å; V195-S197 PolarHBondContact O-N 2.8Å; S197-F214 WeakPolarHBondContact O-CE2 3.22Å; S197-W221 WeakPolarHBondContact OG-CH2 2.85Å
198	K	95	Very high	82.3	Confident	160 Å²	160	73.5 Å²	73.5	70%	0.696	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	6.4	177.8	-64.6	177	-178.5	-173.5	0	114.1	R194 V195 I196 Q200	R194-K198 WeakPolarHBondContact O-CG 3.32Å; V195-K198 WeakPolarHBondContact O-CB 3.45Å; V195-K198 PolarHBondContact O-N 2.79Å; V195-K198 VanDerWaalsContact O-N 3.13Å; I196-K198 PolarHBondContact O-N 3.23Å; K198-Q200 PolarHBondContact O-N 2.99Å
199	I	93.8	Very high	80.9	Confident	5 Å²	5	78 Å²	78	3%	0.026	38%	0.378	C	S	.	.			trans	-52.9	132	172.2	-80.7	171.3	0	0	0	109.8	A145 V147 I196 F201 G212 I213	A145-I199 HydrophobicContact CB-CG2 3.43Å; A145-I199 VanDerWaalsContact CB-CG2 3.43Å; V147-I199 HydrophobicContact CB-CD1 4.39Å; V147-I199 HydrophobicContact CB-CG1 4.23Å; V147-I199 HydrophobicContact CG2-CD1 4.1Å; V147-I199 HydrophobicContact CG2-CG1 3.48Å; V147-I199 VanDerWaalsContact CG2-CG1 3.48Å; I196-I199 HydrophobicContact CG2-CD1 3.89Å; I196-I199 WeakPolarHBondContact O-CB 3.23Å; I196-I199 VanDerWaalsContact O-CG1 3.26Å; I196-I199 WeakPolarHBondContact O-CG1 3.23Å; I196-I199 PolarHBondContact O-N 3.46Å; I199-F201 HydrophobicContact CG2-CE1 4.2Å; I199-F201 HydrophobicContact CG2-CE2 4.19Å; I199-F201 HydrophobicContact CG2-CZ 3.93Å; I199-G212 WeakPolarHBondContact O-CA 3.25Å; I199-I213 HydrophobicContact CB-CD1 3.81Å; I199-I213 HydrophobicContact CB-CG1 4.05Å; I199-I213 HydrophobicContact CD1-CD1 4.24Å; I199-I213 HydrophobicContact CG1-CD1 4.46Å; I199-I213 HydrophobicContact CG2-CD1 4.35Å; I199-I213 HydrophobicContact CG2-CG1 4.14Å
200	Q	92.8	Very high	80.2	Confident	104 Å²	104	85.1 Å²	85.1	49%	0.486	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.2	169.6	-68.4	-169.4	-32.5	0	0	109.7	K198 R210 L211	K198-Q200 PolarHBondContact O-N 2.99Å; Q200-R210 HydrophobicContact CB-CB 4.32Å; Q200-L211 CarbonylContact C-O 3.56Å; Q200-L211 WeakPolarHBondContact CA-O 3.27Å
201	F	91.8	Very high	79.9	Confident	8 Å²	8	87.8 Å²	87.8	4%	0.035	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.2	176.6	-57.8	-78.6	0	0	0	109.3	D143 A145 S162 R164 I199 L211 H216	D143-F201 HydrophobicContact CB-CB 4.2Å; D143-F201 HydrophobicContact CB-CD1 4.09Å; D143-F201 HydrophobicContact CB-CG 4.48Å; D143-F201 WeakPolarHBondContact OD2-CB 3.25Å; A145-F201 HydrophobicContact CB-CD1 4.03Å; A145-F201 HydrophobicContact CB-CE1 3.88Å; S162-F201 WeakPolarHBondContact OG-CZ 3.4Å; R164-F201 HydrophobicContact CB-CD1 4.37Å; R164-F201 HydrophobicContact CB-CD2 4.31Å; R164-F201 HydrophobicContact CB-CE1 3.95Å; R164-F201 HydrophobicContact CB-CE2 3.89Å; R164-F201 HydrophobicContact CB-CZ 3.69Å; R164-F201 HydrophobicContact CG-CB 4.33Å; R164-F201 HydrophobicContact CG-CD1 3.53Å; R164-F201 HydrophobicContact CG-CD2 3.76Å; R164-F201 HydrophobicContact CG-CE1 3.61Å; R164-F201 HydrophobicContact CG-CE2 3.85Å; R164-F201 HydrophobicContact CG-CG 3.61Å; R164-F201 HydrophobicContact CG-CZ 3.76Å; I199-F201 HydrophobicContact CG2-CE1 4.2Å; I199-F201 HydrophobicContact CG2-CE2 4.19Å; I199-F201 HydrophobicContact CG2-CZ 3.93Å; F201-L211 VanDerWaalsContact CD2-O 3.28Å; F201-L211 WeakPolarHBondContact CD2-O 3.47Å; F201-L211 PolarHBondContact N-O 3.48Å; F201-H216 AromaticContact CE2-CE1 3.88Å
202	D	74.7	Confident	79.8	Confident	111 Å²	111	85 Å²	85	59%	0.594	41%	0.409	S	S	*	.			trans	-97.9	-14.8	-165.4	-84.5	-42.2	0	0	0	114	D143 R210	D143-D202 PolarHBondContact OD2-N 3.35Å; D202-R210 IonicContact OD1-CZ 2.68Å; D202-R210 VanDerWaalsContact OD1-CZ 3.29Å; D202-R210 IonicContact OD1-NE 3.38Å; D202-R210 PolarHBondContact OD1-NE 3.2Å; D202-R210 IonicContact OD1-NH2 3.21Å; D202-R210 PolarHBondContact OD1-NH2 3.14Å
203	R	63.4	Low	79.8	Confident	201 Å²	201	85 Å²	85	76%	0.758	41%	0.409	S	S	*	.			trans	-112.1	85.8	-167.8	-79.6	-173.6	165.6	-167	-2.6	115	D143	D143-R203 PolarHBondContact OD2-N 3.06Å; D143-R203 VanDerWaalsContact OD2-N 3.07Å
204	F	55.1	Low	79.8	Confident	84 Å²	84	88.6 Å²	88.6	37%	0.368	43%	0.425	S	S	.	.			trans	-139.4	132.9	144.1	-78.4	-74	0	0	0	112	D141	D141-F204 VanDerWaalsContact CA-CZ 3.42Å; D141-F204 HydrophobicContact CB-CE1 3.59Å; D141-F204 HydrophobicContact CB-CE2 4.24Å; D141-F204 HydrophobicContact CB-CZ 3.26Å; D141-F204 WeakPolarHBondContact O-CZ 3.5Å; D141-F204 WeakPolarHBondContact OD1-CE1 3.36Å
205	S	45.6	Very low	79.6	Confident	106 Å²	106	89.3 Å²	89.3	74%	0.741	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	142	-177.3	52.2	0	0	0	0	113.3	S207	S205-S207 VanDerWaalsContact C-N 3.25Å; S205-S207 PolarHBondContact O-N 3.1Å; S205-S207 VanDerWaalsContact O-N 3.14Å
206	N	48	Very low	79.6	Confident	174 Å²	174	88.1 Å²	88.1	93%	0.93	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-0.4	170	-68.3	-2.6	0	0	0	118.5
207	S	53.6	Low	79.4	Confident	68 Å²	68	90.7 Å²	90.7	48%	0.476	44%	0.441	S	S	.	.			trans	-104	130.7	168	55.6	0	0	0	0	110.7	S205 E209	S205-S207 VanDerWaalsContact C-N 3.25Å; S205-S207 PolarHBondContact O-N 3.1Å; S205-S207 VanDerWaalsContact O-N 3.14Å; S207-E209 PolarHBondContact O-N 3.16Å; S207-E209 VanDerWaalsContact O-N 3.08Å
208	F	56.6	Low	79.3	Confident	221 Å²	221	90 Å²	90	97%	0.969	44%	0.436	S	S	*	.	S	Bend	trans	-68.6	2.2	176.5	-78.4	-87.4	0	0	0	114.5
209	E	64.5	Low	79.3	Confident	162 Å²	162	82.7 Å²	82.7	76%	0.757	40%	0.404	S	S	*	.			trans	-107.8	128.1	-170.4	-66.2	-175.4	165.8	0	0	112.8	S207	S207-E209 PolarHBondContact O-N 3.16Å; S207-E209 VanDerWaalsContact O-N 3.08Å
210	R	81.3	Confident	79.4	Confident	150 Å²	150	82.5 Å²	82.5	57%	0.566	40%	0.403	S	S	*	.			trans	-87.6	130.7	171.7	-70.1	179.8	169.4	164.8	-0.5	109.8	Q200 D202	Q200-R210 HydrophobicContact CB-CB 4.32Å; D202-R210 IonicContact OD1-CZ 2.68Å; D202-R210 VanDerWaalsContact OD1-CZ 3.29Å; D202-R210 IonicContact OD1-NE 3.38Å; D202-R210 PolarHBondContact OD1-NE 3.2Å; D202-R210 IonicContact OD1-NH2 3.21Å; D202-R210 PolarHBondContact OD1-NH2 3.14Å
211	L	89.6	Confident	79.5	Confident	57 Å²	57	77.6 Å²	77.6	30%	0.298	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	136.5	175.9	-62.4	174.4	0	0	0	110.7	Q200 F201 D215	Q200-L211 CarbonylContact C-O 3.56Å; Q200-L211 WeakPolarHBondContact CA-O 3.27Å; F201-L211 VanDerWaalsContact CD2-O 3.28Å; F201-L211 WeakPolarHBondContact CD2-O 3.47Å; F201-L211 PolarHBondContact N-O 3.48Å; L211-D215 HydrophobicContact CD2-CB 4Å
212	G	93.9	Very high	79.6	Confident	13 Å²	13	77.2 Å²	77.2	13%	0.134	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	179.3	169	0	0	0	0	0	113	I199 F214 D215 H216	I199-G212 WeakPolarHBondContact O-CA 3.25Å; G212-F214 VanDerWaalsContact C-N 3.28Å; G212-F214 PolarHBondContact O-N 3.48Å; G212-D215 PolarHBondContact N-OD2 3.19Å; G212-D215 PolarHBondContact O-N 2.84Å; G212-H216 PolarHBondContact O-CE1 2.82Å; G212-H216 PolarHBondContact O-ND1 2.93Å
213	I	95.6	Very high	80.4	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-57.1	-42.5	177.1	-70.2	167.5	0	0	0	111.5	V175 I196 I199 D215 H216 I219 W221	V175-I213 HydrophobicContact CG2-CD1 3.82Å; V175-I213 HydrophobicContact CG2-CG1 4.13Å; V175-I213 HydrophobicContact CG2-CG2 4.03Å; I196-I213 VanDerWaalsContact O-CD1 3.22Å; I196-I213 WeakPolarHBondContact O-CD1 3.44Å; I199-I213 HydrophobicContact CB-CD1 3.81Å; I199-I213 HydrophobicContact CB-CG1 4.05Å; I199-I213 HydrophobicContact CD1-CD1 4.24Å; I199-I213 HydrophobicContact CG1-CD1 4.46Å; I199-I213 HydrophobicContact CG2-CD1 4.35Å; I199-I213 HydrophobicContact CG2-CG1 4.14Å; I213-D215 VanDerWaalsContact C-N 3.3Å; I213-D215 PolarHBondContact O-N 3.21Å; I213-H216 PolarHBondContact O-ND1 3.19Å; I213-H216 VanDerWaalsContact O-ND1 3.09Å; I213-I219 HydrophobicContact CG2-CD1 4.35Å; I213-I219 HydrophobicContact CG2-CG2 3.72Å; I213-I219 WeakPolarHBondContact O-CD1 3.41Å; I213-W221 HydrophobicContact CD1-CH2 4.26Å; I213-W221 HydrophobicContact CD1-CZ3 3.98Å; I213-W221 HydrophobicContact CG2-CE3 4.48Å; I213-W221 HydrophobicContact CG2-CZ3 4.27Å
214	F	95.6	Very high	81.8	Confident	98 Å²	98	62.6 Å²	62.6	43%	0.43	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-80.9	-3	-171.4	-54.1	-72.7	0	0	0	115.1	S197 G212 H216 I219 F268	S197-F214 WeakPolarHBondContact O-CE2 3.22Å; G212-F214 VanDerWaalsContact C-N 3.28Å; G212-F214 PolarHBondContact O-N 3.48Å; F214-H216 PolarHBondContact O-N 3.33Å; F214-I219 HydrophobicContact CD1-CD1 3.95Å; F214-F268 HydrophobicContact CD1-CE2 4.46Å; F214-F268 AromaticContact CE1-CE2 3.9Å; F214-F268 HydrophobicContact CE1-CE2 3.9Å; F214-F268 HydrophobicContact CE1-CZ 4.27Å
215	D	93.6	Very high	83.7	Confident	98 Å²	98	58.6 Å²	58.6	52%	0.524	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-85.4	13.4	176.8	-56.8	-44.4	0	0	0	113.2	L211 G212 I213	L211-D215 HydrophobicContact CD2-CB 4Å; G212-D215 PolarHBondContact N-OD2 3.19Å; G212-D215 PolarHBondContact O-N 2.84Å; I213-D215 VanDerWaalsContact C-N 3.3Å; I213-D215 PolarHBondContact O-N 3.21Å
216	H	93.8	Very high	86	Confident	14 Å²	14	53.8 Å²	53.8	7%	0.065	26%	0.264	C	S	.	.	S	Bend	trans	-108.2	142.2	-175.3	-63.3	75.1	0	0	0	111.2	R164 T171 C173 F201 G212 I213 F214 Y218 I219	R164-H216 WeakPolarHBondContact CB-NE2 3.11Å; R164-H216 PolarHBondContact NE-NE2 2.73Å; R164-H216 PolarHBondContact NH2-NE2 3.24Å; R164-H216 VanDerWaalsContact NH2-NE2 3.16Å; T171-H216 WeakPolarHBondContact OG1-CA 3.39Å; C173-H216 HydrophobicContact CB-CB 3.96Å; F201-H216 AromaticContact CE2-CE1 3.88Å; G212-H216 PolarHBondContact O-CE1 2.82Å; G212-H216 PolarHBondContact O-ND1 2.93Å; I213-H216 PolarHBondContact O-ND1 3.19Å; I213-H216 VanDerWaalsContact O-ND1 3.09Å; F214-H216 PolarHBondContact O-N 3.33Å; H216-Y218 PolarHBondContact O-N 3.38Å; H216-I219 HydrophobicContact CB-CG1 4.25Å
217	D	93.1	Very high	88.4	Confident	53 Å²	53	45.5 Å²	45.5	28%	0.283	22%	0.219	S	C	.	.	S	Bend	trans	-57.7	-40.6	175.7	-65.9	-63.3	0	0	0	111.1	S170 T171 G307 K339	S170-D217 VanDerWaalsContact CA-OD2 3.27Å; S170-D217 WeakPolarHBondContact CA-OD2 3.48Å; T171-D217 PolarHBondContact N-OD2 2.95Å; T171-D217 WeakPolarHBondContact O-CB 3.19Å; T171-D217 PolarHBondContact O-N 3.04Å; T171-D217 VanDerWaalsContact O-N 3.12Å; T171-D217 PolarHBondContact OG1-N 2.94Å; T171-D217 PolarHBondContact OG1-OD2 3.22Å; D217-G307 WeakPolarHBondContact O-CA 2.95Å; D217-K339 IonicContact OD1-NZ 3.37Å; D217-K339 PolarHBondContact OD1-NZ 3.25Å; D217-K339 IonicContact OD2-NZ 2.67Å
218	Y	94	Very high	90.4	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.3	-177.4	-53.6	-51.3	0	0	0	111.5	T171 C172 C173 H216 K310 V311 L336 E337	T171-Y218 PolarHBondContact O-N 2.91Å; C172-Y218 CarbonylContact C-O 3.39Å; C172-Y218 VanDerWaalsContact CA-O 3.26Å; C172-Y218 WeakPolarHBondContact CA-O 3.5Å; C173-Y218 PolarHBondContact N-O 3.02Å; H216-Y218 PolarHBondContact O-N 3.38Å; Y218-K310 HydrophobicContact CE1-CB 3.99Å; Y218-V311 HydrophobicContact CD1-CG2 3.49Å; Y218-V311 VanDerWaalsContact CD1-CG2 3.49Å; Y218-V311 HydrophobicContact CE1-CG2 3.86Å; Y218-V311 HydrophobicContact CG-CG2 4.33Å; Y218-L336 HydrophobicContact CD2-CD2 4.19Å; Y218-L336 HydrophobicContact CE2-CD1 4.47Å; Y218-E337 PolarHBondContact OH-O 3.26Å
219	I	95.7	Very high	92.2	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.4	177.8	-49.6	165.9	0	0	0	108.3	C173 I213 F214 H216 F268 W305 S306	C173-I219 WeakPolarHBondContact O-CA 3.44Å; I213-I219 HydrophobicContact CG2-CD1 4.35Å; I213-I219 HydrophobicContact CG2-CG2 3.72Å; I213-I219 WeakPolarHBondContact O-CD1 3.41Å; F214-I219 HydrophobicContact CD1-CD1 3.95Å; H216-I219 HydrophobicContact CB-CG1 4.25Å; I219-F268 HydrophobicContact CB-CE1 4.15Å; I219-F268 HydrophobicContact CB-CZ 4.02Å; I219-F268 HydrophobicContact CD1-CZ 4.33Å; I219-F268 HydrophobicContact CG2-CE1 3.85Å; I219-F268 HydrophobicContact CG2-CZ 3.68Å; I219-W305 CarbonylContact O-C 3.59Å; I219-W305 WeakPolarHBondContact O-CA 3.43Å; I219-W305 WeakPolarHBondContact O-CB 3.31Å; I219-S306 PolarHBondContact N-O 2.81Å; I219-S306 PolarHBondContact O-N 3Å
220	F	94.5	Very high	93.4	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.2	171.6	-63.2	-90.7	0	0	0	108.7	L62 L64 C173 L174 V175 F222 W305 V311 F334 L336	L62-F220 HydrophobicContact CD1-CB 4.11Å; L62-F220 HydrophobicContact CD1-CD1 4.35Å; L62-F220 HydrophobicContact CD1-CG 4.31Å; L62-F220 HydrophobicContact CD2-CD1 4.03Å; L62-F220 HydrophobicContact CD2-CE1 4.39Å; L64-F220 HydrophobicContact CD2-CZ 4.11Å; C173-F220 PolarHBondContact O-N 3.23Å; L174-F220 CarbonylContact C-O 3.59Å; L174-F220 WeakPolarHBondContact CA-O 3.26Å; L174-F220 HydrophobicContact CD2-CB 4.01Å; L174-F220 HydrophobicContact CD2-CD2 3.93Å; L174-F220 HydrophobicContact CD2-CG 4.33Å; V175-F220 PolarHBondContact N-O 3.21Å; F220-F222 HydrophobicContact CB-CD1 4.16Å; F220-F222 HydrophobicContact CB-CE1 3.81Å; F220-F222 VanDerWaalsContact O-CE1 3.26Å; F220-F222 WeakPolarHBondContact O-CE1 2.96Å; F220-W305 HydrophobicContact CD1-CB 3.68Å; F220-W305 HydrophobicContact CE1-CB 3.84Å; F220-W305 HydrophobicContact CE1-CG 4.47Å; F220-W305 HydrophobicContact CG-CB 4.44Å; F220-V311 HydrophobicContact CE1-CG1 4.11Å; F220-V311 HydrophobicContact CZ-CG1 4.04Å; F220-F334 HydrophobicContact CD1-CD2 4.46Å; F220-F334 HydrophobicContact CD1-CE2 4.3Å; F220-F334 HydrophobicContact CD1-CZ 4.39Å; F220-F334 HydrophobicContact CE1-CB 4.35Å; F220-F334 AromaticContact CE1-CD1 3.91Å; F220-F334 HydrophobicContact CE1-CD1 3.91Å; F220-F334 AromaticContact CE1-CD2 3.97Å; F220-F334 HydrophobicContact CE1-CD2 3.97Å; F220-F334 HydrophobicContact CE1-CE1 4.11Å; F220-F334 HydrophobicContact CE1-CE2 4.16Å; F220-F334 AromaticContact CE1-CG 3.81Å; F220-F334 HydrophobicContact CE1-CG 3.81Å; F220-F334 HydrophobicContact CE1-CZ 4.22Å; F220-L336 HydrophobicContact CE2-CD2 4.48Å
221	W	95.9	Very high	93.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.1	179.9	-159.3	-49.8	0	0	0	109.5	V175 C177 F179 Y193 I196 S197 I213 M225 F265 F268 L304	V175-W221 HydrophobicContact CB-CB 4.36Å; V175-W221 HydrophobicContact CB-CD2 3.66Å; V175-W221 HydrophobicContact CB-CE3 3.99Å; V175-W221 HydrophobicContact CB-CG 3.83Å; V175-W221 HydrophobicContact CG1-CD2 3.65Å; V175-W221 HydrophobicContact CG1-CE3 4.08Å; V175-W221 HydrophobicContact CG1-CG 4.13Å; V175-W221 HydrophobicContact CG1-CH2 4.27Å; V175-W221 HydrophobicContact CG1-CZ2 3.85Å; V175-W221 HydrophobicContact CG1-CZ3 4.37Å; V175-W221 HydrophobicContact CG2-CD2 4.14Å; V175-W221 HydrophobicContact CG2-CE3 3.92Å; V175-W221 HydrophobicContact CG2-CZ3 4.38Å; V175-W221 WeakPolarHBondContact O-CA 3.2Å; C177-W221 PolarHBondContact SG-NE1 2.81Å; F179-W221 HydrophobicContact CZ-CZ2 4.33Å; F179-W221 AromaticContact CZ-NE1 3.88Å; Y193-W221 AromaticContact CD2-CH2 3.77Å; Y193-W221 HydrophobicContact CD2-CH2 3.77Å; Y193-W221 AromaticContact CD2-CZ2 3.84Å; Y193-W221 HydrophobicContact CD2-CZ2 3.84Å; Y193-W221 HydrophobicContact CD2-CZ3 4.3Å; Y193-W221 HydrophobicContact CE2-CE3 4.47Å; Y193-W221 AromaticContact CE2-CH2 3.9Å; Y193-W221 HydrophobicContact CE2-CH2 3.9Å; Y193-W221 HydrophobicContact CE2-CZ2 4.34Å; Y193-W221 AromaticContact CE2-CZ3 3.98Å; Y193-W221 HydrophobicContact CE2-CZ3 3.98Å; I196-W221 HydrophobicContact CB-CH2 4.02Å; I196-W221 HydrophobicContact CB-CZ2 3.82Å; I196-W221 HydrophobicContact CG2-CH2 3.64Å; I196-W221 HydrophobicContact CG2-CZ2 3.4Å; S197-W221 WeakPolarHBondContact OG-CH2 2.85Å; I213-W221 HydrophobicContact CD1-CH2 4.26Å; I213-W221 HydrophobicContact CD1-CZ3 3.98Å; I213-W221 HydrophobicContact CG2-CE3 4.48Å; I213-W221 HydrophobicContact CG2-CZ3 4.27Å; W221-M225 HydrophobicContact CG-CE 4.42Å; W221-F265 HydrophobicContact CB-CE1 3.96Å; W221-F265 AromaticContact CD1-CE1 3.78Å; W221-F265 AromaticContact CD1-CZ 3.85Å; W221-F265 AromaticContact CD2-CE1 3.46Å; W221-F265 HydrophobicContact CD2-CE1 3.46Å; W221-F265 VanDerWaalsContact CD2-CE1 3.46Å; W221-F265 HydrophobicContact CD2-CZ 4.08Å; W221-F265 AromaticContact CE2-CE1 3.73Å; W221-F265 AromaticContact CE2-CZ 3.87Å; W221-F265 AromaticContact CE3-CE1 3.91Å; W221-F265 HydrophobicContact CE3-CE1 3.91Å; W221-F265 AromaticContact CG-CE1 3.49Å; W221-F265 HydrophobicContact CG-CE1 3.49Å; W221-F265 VanDerWaalsContact CG-CE1 3.49Å; W221-F265 HydrophobicContact CG-CZ 4.04Å; W221-F265 HydrophobicContact CZ2-CE1 4.36Å; W221-F265 HydrophobicContact CZ2-CZ 4.43Å; W221-F265 AromaticContact NE1-CE1 3.92Å; W221-F265 AromaticContact NE1-CZ 3.75Å; W221-F268 HydrophobicContact CB-CD1 4.47Å; W221-F268 HydrophobicContact CB-CE1 3.92Å; W221-F268 HydrophobicContact CE3-CZ 4.35Å; W221-L304 PolarHBondContact N-O 3.19Å; W221-L304 PolarHBondContact O-N 3.05Å
222	F	94	Very high	93.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	169.6	-176.3	46.2	-91.4	0	0	0	110.5	Y60 L62 L174 V175 N176 C177 F220 R302 I303	Y60-F222 HydrophobicContact CD1-CB 4.43Å; Y60-F222 HydrophobicContact CE1-CB 4.42Å; L62-F222 HydrophobicContact CD1-CD1 3.81Å; L62-F222 HydrophobicContact CD1-CE1 3.83Å; L174-F222 HydrophobicContact CB-CZ 4.42Å; V175-F222 WeakPolarHBondContact O-CE2 3.46Å; V175-F222 WeakPolarHBondContact O-CZ 3.03Å; V175-F222 PolarHBondContact O-N 3.43Å; N176-F222 CarbonylContact C-O 3.46Å; N176-F222 VanDerWaalsContact CA-CE2 3.46Å; N176-F222 WeakPolarHBondContact CA-O 3.47Å; N176-F222 HydrophobicContact CB-CE2 3.7Å; N176-F222 HydrophobicContact CB-CZ 4.47Å; N176-F222 PolarHBondContact OD1-O 3.34Å; C177-F222 PolarHBondContact N-O 3.25Å; F220-F222 HydrophobicContact CB-CD1 4.16Å; F220-F222 HydrophobicContact CB-CE1 3.81Å; F220-F222 VanDerWaalsContact O-CE1 3.26Å; F220-F222 WeakPolarHBondContact O-CE1 2.96Å; F222-R302 CarbonylContact C-O 3.5Å; F222-R302 WeakPolarHBondContact CA-O 3.36Å; F222-R302 WeakPolarHBondContact CB-O 3.37Å; F222-I303 HydrophobicContact CB-CB 4.08Å; F222-I303 HydrophobicContact CB-CG1 3.85Å; F222-I303 HydrophobicContact CB-CG2 4.08Å; F222-I303 HydrophobicContact CD1-CG2 4.34Å
223	G	90.1	Very high	93.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.8	-167.9	177	0	0	0	0	0	111.7	Y60 C177 M225 R302	Y60-G223 PolarHBondContact OH-O 2.87Å; Y60-G223 VanDerWaalsContact OH-O 3.06Å; C177-G223 WeakPolarHBondContact O-CA 3.46Å; G223-M225 PolarHBondContact O-N 2.84Å; G223-M225 VanDerWaalsContact O-N 3.1Å; G223-R302 PolarHBondContact N-O 2.78Å; G223-R302 VanDerWaalsContact N-O 3.14Å; G223-R302 PolarHBondContact O-N 3.46Å; G223-R302 VanDerWaalsContact O-N 3.12Å
224	D	93.3	Very high	92.8	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.032	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	93.5	171.7	-179.5	2.6	0	0	0	108.6	C177 H178 F179 N226 C300 H327	C177-D224 PolarHBondContact O-N 3.19Å; H178-D224 CarbonylContact C-O 3.46Å; H178-D224 VanDerWaalsContact CA-O 3.28Å; H178-D224 WeakPolarHBondContact CA-O 3.22Å; H178-D224 IonicContact CD2-OD2 3.49Å; H178-D224 IonicContact NE2-OD2 2.67Å; H178-D224 PolarHBondContact NE2-OD2 3.31Å; F179-D224 PolarHBondContact N-O 3.46Å; D224-N226 VanDerWaalsContact OD1-CA 3.27Å; D224-N226 WeakPolarHBondContact OD1-CA 3.26Å; D224-N226 PolarHBondContact OD1-N 3.48Å; D224-N226 PolarHBondContact OD1-ND2 3.33Å; D224-N226 VanDerWaalsContact OD1-ND2 3.16Å; D224-N226 PolarHBondContact OD1-OD1 3.5Å; D224-N226 PolarHBondContact OD2-ND2 3.32Å; D224-C300 WeakPolarHBondContact OD1-CB 3.27Å; D224-H327 IonicContact OD2-CE1 2.88Å
225	M	95.2	Very high	92.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.			trans	-80.7	-7.8	176.3	-57.9	-165.1	-176.9	0	0	111.9	F179 R189 W221 G223 Y227 L255 F265 C300 R302 L304	F179-M225 HydrophobicContact CD2-CB 3.79Å; F179-M225 HydrophobicContact CD2-CG 4.25Å; F179-M225 WeakPolarHBondContact CD2-O 2.78Å; F179-M225 HydrophobicContact CE2-CB 3.97Å; F179-M225 HydrophobicContact CE2-CG 3.99Å; F179-M225 HydrophobicContact CE2-SD 4.28Å; R189-M225 WeakPolarHBondContact CD-O 3.43Å; W221-M225 HydrophobicContact CG-CE 4.42Å; G223-M225 PolarHBondContact O-N 2.84Å; G223-M225 VanDerWaalsContact O-N 3.1Å; M225-Y227 HydrophobicContact CB-CD2 3.67Å; M225-Y227 HydrophobicContact CB-CE2 4Å; M225-Y227 VanDerWaalsContact O-CD2 3.29Å; M225-Y227 WeakPolarHBondContact O-CD2 3.07Å; M225-Y227 PolarHBondContact O-N 3.24Å; M225-L255 HydrophobicContact SD-CD1 4.49Å; M225-L255 HydrophobicContact SD-CD2 4.03Å; M225-F265 HydrophobicContact CE-CE1 4.44Å; M225-F265 HydrophobicContact CE-CE2 4.39Å; M225-F265 HydrophobicContact CE-CZ 3.86Å; M225-F265 HydrophobicContact SD-CE2 3.75Å; M225-F265 HydrophobicContact SD-CZ 3.8Å; M225-C300 PolarHBondContact N-O 2.82Å; M225-R302 HydrophobicContact CE-CB 4.23Å; M225-R302 HydrophobicContact CG-CB 4.21Å; M225-R302 HydrophobicContact SD-CB 3.93Å; M225-L304 HydrophobicContact CE-CD1 3.3Å; M225-L304 HydrophobicContact SD-CD1 3.62Å
226	N	94.8	Very high	92.3	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	15%	0.148	C	C	.	.			trans	55.6	11.8	173.2	-99.4	-58.1	0	0	0	116.6	H178 F179 A180 R189 D224 R228 C300	H178-N226 PolarHBondContact NE2-ND2 3.44Å; F179-N226 PolarHBondContact O-ND2 2.86Å; A180-N226 VanDerWaalsContact O-CB 3.31Å; A180-N226 WeakPolarHBondContact O-CB 3.39Å; R189-N226 WeakPolarHBondContact CD-O 3.36Å; R189-N226 PolarHBondContact NE-O 3.16Å; D224-N226 VanDerWaalsContact OD1-CA 3.27Å; D224-N226 WeakPolarHBondContact OD1-CA 3.26Å; D224-N226 PolarHBondContact OD1-N 3.48Å; D224-N226 PolarHBondContact OD1-ND2 3.33Å; D224-N226 VanDerWaalsContact OD1-ND2 3.16Å; D224-N226 PolarHBondContact OD1-OD1 3.5Å; D224-N226 PolarHBondContact OD2-ND2 3.32Å; N226-R228 WeakPolarHBondContact O-CD 3.41Å; N226-R228 WeakPolarHBondContact O-CG 3.45Å; N226-R228 PolarHBondContact O-NE 3.05Å; N226-R228 PolarHBondContact OD1-NH2 2.75Å; N226-C300 PolarHBondContact N-O 2.89Å
227	Y	96.9	Very high	92.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.145	C	C	.	.			trans	-65	139.4	172	-70.4	-83.4	0	0	0	110	F179 L186 R189 N190 M225 Q254 L255	F179-Y227 AromaticContact CD2-CE2 3.95Å; F179-Y227 HydrophobicContact CD2-CE2 3.95Å; F179-Y227 HydrophobicContact CE2-CE2 4.05Å; L186-Y227 HydrophobicContact CD1-CD1 3.73Å; L186-Y227 HydrophobicContact CD1-CE1 3.58Å; R189-Y227 HydrophobicContact CB-CE1 3.99Å; R189-Y227 HydrophobicContact CB-CE2 4.35Å; N190-Y227 PolarHBondContact OD1-OH 3.46Å; N190-Y227 VanDerWaalsContact OD1-OH 3.05Å; M225-Y227 HydrophobicContact CB-CD2 3.67Å; M225-Y227 HydrophobicContact CB-CE2 4Å; M225-Y227 VanDerWaalsContact O-CD2 3.29Å; M225-Y227 WeakPolarHBondContact O-CD2 3.07Å; M225-Y227 PolarHBondContact O-N 3.24Å; Y227-Q254 HydrophobicContact CD1-CB 3.68Å; Y227-Q254 HydrophobicContact CG-CB 4.37Å; Y227-L255 HydrophobicContact CD1-CB 4.21Å; Y227-L255 HydrophobicContact CD2-CB 3.69Å; Y227-L255 HydrophobicContact CD2-CD1 3.67Å; Y227-L255 HydrophobicContact CD2-CD2 4.42Å; Y227-L255 HydrophobicContact CD2-CG 4.12Å; Y227-L255 HydrophobicContact CE2-CB 4.32Å; Y227-L255 HydrophobicContact CE2-CD1 3.45Å; Y227-L255 VanDerWaalsContact CE2-CD1 3.45Å; Y227-L255 HydrophobicContact CE2-CG 4.39Å; Y227-L255 HydrophobicContact CG-CB 3.63Å; Y227-L255 HydrophobicContact CG-CD1 4.35Å
228	R	95.6	Very high	91.9	Very high	12 Å²	12	31.7 Å²	31.7	5%	0.045	15%	0.151	C	C	.	.			trans	-117.5	172	-171.1	-53.6	-54.5	177.2	85	-8.2	111.2	V183 N226 Q254	V183-R228 HydrophobicContact CB-CB 4.29Å; V183-R228 HydrophobicContact CB-CG 4.22Å; V183-R228 HydrophobicContact CG2-CB 3.92Å; V183-R228 HydrophobicContact CG2-CG 4.4Å; N226-R228 WeakPolarHBondContact O-CD 3.41Å; N226-R228 WeakPolarHBondContact O-CG 3.45Å; N226-R228 PolarHBondContact O-NE 3.05Å; N226-R228 PolarHBondContact OD1-NH2 2.75Å; R228-Q254 WeakPolarHBondContact O-CB 3.33Å; R228-Q254 VanDerWaalsContact O-CG 3.23Å; R228-Q254 WeakPolarHBondContact O-CG 3.41Å; R228-Q254 PolarHBondContact O-N 3.15Å
229	L	94.6	Very high	91.7	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-83.1	119.1	168.9	-57.8	-177.7	0	0	0	109.5	L232 L237 F249 Y252 D253 P297 W299	L229-L232 HydrophobicContact CB-CB 4.28Å; L229-L232 HydrophobicContact CB-CD2 4.26Å; L229-L232 HydrophobicContact CD1-CD2 3.87Å; L229-L237 HydrophobicContact CD1-CD1 4.17Å; L229-F249 HydrophobicContact CD1-CB 4.11Å; L229-Y252 CarbonylContact C-O 3.59Å; L229-Y252 WeakPolarHBondContact CA-O 3.34Å; L229-D253 HydrophobicContact CD2-CB 4.1Å; L229-P297 WeakPolarHBondContact CD1-O 3.2Å; L229-W299 HydrophobicContact CD1-CE3 4.49Å; L229-W299 HydrophobicContact CD1-CZ3 3.96Å; L229-W299 HydrophobicContact CD2-CE3 3.94Å; L229-W299 HydrophobicContact CD2-CZ3 3.81Å; L229-W299 HydrophobicContact CG-CZ3 4.41Å
230	Q	89.3	Confident	91.4	Very high	75 Å²	75	42 Å²	42	35%	0.35	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	144.5	-177.1	-168.6	170.2	0.2	0	0	111.6	L232 Y252 Q254	Q230-L232 PolarHBondContact O-N 3.06Å; Q230-Y252 PolarHBondContact N-O 2.84Å; Q230-Q254 HydrophobicContact CB-CG 4.12Å
231	N	85.7	Confident	91.2	Very high	141 Å²	141	46 Å²	46	75%	0.754	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	33.1	177.1	-55	-30.5	0	0	0	113.9
232	L	87.5	Confident	90.9	Very high	16 Å²	16	50.5 Å²	50.5	8%	0.084	23%	0.232	C	C	.	.			trans	-117.7	122.9	-178.9	-155.6	84.7	0	0	0	111.1	L229 Q230 M236 L237 F249 Y252 V296	L229-L232 HydrophobicContact CB-CB 4.28Å; L229-L232 HydrophobicContact CB-CD2 4.26Å; L229-L232 HydrophobicContact CD1-CD2 3.87Å; Q230-L232 PolarHBondContact O-N 3.06Å; L232-M236 HydrophobicContact CD1-CE 3.81Å; L232-M236 HydrophobicContact CG-CE 4.02Å; L232-L237 HydrophobicContact CD2-CD1 3.41Å; L232-L237 VanDerWaalsContact CD2-CD1 3.41Å; L232-L237 HydrophobicContact CD2-CG 3.78Å; L232-F249 HydrophobicContact CD1-CD1 3.5Å; L232-F249 HydrophobicContact CD1-CE1 3.73Å; L232-F249 HydrophobicContact CD2-CD1 3.61Å; L232-F249 HydrophobicContact CD2-CE1 4.04Å; L232-F249 HydrophobicContact CD2-CG 4.24Å; L232-F249 HydrophobicContact CG-CD1 4.18Å; L232-F249 HydrophobicContact CG-CE1 4.38Å; L232-Y252 HydrophobicContact CD1-CD2 3.73Å; L232-Y252 HydrophobicContact CD1-CE2 3.8Å; L232-Y252 HydrophobicContact CD1-CG 4.14Å; L232-V296 HydrophobicContact CD2-CG1 4.31Å
233	E	87	Confident	90.6	Very high	123 Å²	123	54.1 Å²	54.1	58%	0.575	26%	0.258	S	S	*	.			trans	-83.4	139.5	171.7	-64.4	-171.8	-141.3	0	0	111.3	Y235 M236	E233-Y235 VanDerWaalsContact C-N 3.27Å; E233-Y235 HydrophobicContact CB-CD1 3.61Å; E233-Y235 HydrophobicContact CB-CE1 3.5Å; E233-Y235 HydrophobicContact CG-CE1 4.19Å; E233-Y235 PolarHBondContact O-N 2.77Å; E233-Y235 WeakPolarHBondContact OE2-CE1 3.33Å; E233-M236 HydrophobicContact CB-CE 4.02Å; E233-M236 WeakPolarHBondContact O-CB 3.48Å; E233-M236 PolarHBondContact O-N 3.27Å
234	R	88.7	Confident	90.6	Very high	23 Å²	23	58.3 Å²	58.3	9%	0.087	28%	0.277	C	S	.	.	H	α-helix	trans	-55.1	-37.6	-173.7	177.7	59	-171.3	-76.9	-25.5	113.7	M236 L237 D238 D289 F294 R295 V296	R234-M236 PolarHBondContact O-N 2.73Å; R234-M236 VanDerWaalsContact O-N 3.16Å; R234-L237 PolarHBondContact O-N 2.84Å; R234-L237 VanDerWaalsContact O-N 3.14Å; R234-D238 IonicContact CZ-OD1 3.47Å; R234-D238 IonicContact NE-OD1 3.68Å; R234-D238 PolarHBondContact NE-OD1 2.98Å; R234-D238 IonicContact NE-OD2 2.93Å; R234-D238 PolarHBondContact NE-OD2 2.82Å; R234-D238 IonicContact NH2-OD1 3.28Å; R234-D238 PolarHBondContact NH2-OD1 2.8Å; R234-D238 IonicContact NH2-OD2 3.63Å; R234-D238 PolarHBondContact O-N 2.85Å; R234-D289 PolarHBondContact NH1-O 2.74Å; R234-D289 VanDerWaalsContact NH1-O 3.16Å; R234-F294 HydrophobicContact CB-CD1 4.1Å; R234-F294 HydrophobicContact CB-CE1 3.82Å; R234-F294 HydrophobicContact CG-CD1 3.76Å; R234-F294 HydrophobicContact CG-CE1 3.27Å; R234-F294 HydrophobicContact CG-CZ 3.77Å; R234-R295 PolarHBondContact NH1-O 3.16Å; R234-V296 HydrophobicContact CB-CG2 4.18Å
235	Y	89.1	Confident	90.6	Very high	109 Å²	109	58 Å²	58	43%	0.427	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-25.4	-178.6	80.1	-94.2	0	0	0	113.2	E233 D238 R239	E233-Y235 VanDerWaalsContact C-N 3.27Å; E233-Y235 HydrophobicContact CB-CD1 3.61Å; E233-Y235 HydrophobicContact CB-CE1 3.5Å; E233-Y235 HydrophobicContact CG-CE1 4.19Å; E233-Y235 PolarHBondContact O-N 2.77Å; E233-Y235 WeakPolarHBondContact OE2-CE1 3.33Å; Y235-D238 PolarHBondContact O-N 3Å; Y235-R239 WeakPolarHBondContact O-CG 3.44Å; Y235-R239 PolarHBondContact O-N 3.13Å; Y235-R239 VanDerWaalsContact O-N 3.16Å
236	M	90.1	Very high	90.4	Very high	60 Å²	60	60 Å²	60	30%	0.296	29%	0.285	S	S	.	.	H	α-helix	trans	-67.6	-39.6	178.5	-66.7	-164.8	-88.7	0	0	111.2	L232 E233 R234 A240 F249	L232-M236 HydrophobicContact CD1-CE 3.81Å; L232-M236 HydrophobicContact CG-CE 4.02Å; E233-M236 HydrophobicContact CB-CE 4.02Å; E233-M236 WeakPolarHBondContact O-CB 3.48Å; E233-M236 PolarHBondContact O-N 3.27Å; R234-M236 PolarHBondContact O-N 2.73Å; R234-M236 VanDerWaalsContact O-N 3.16Å; M236-A240 PolarHBondContact O-N 3.42Å; M236-F249 HydrophobicContact CB-CE1 4.23Å; M236-F249 HydrophobicContact CB-CZ 4.38Å
237	L	90.6	Very high	90.2	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-68.6	-42.3	174.3	-85.9	152.1	0	0	0	111.8	L229 L232 R234 R239 A240 L245 F249 V296 P297	L229-L237 HydrophobicContact CD1-CD1 4.17Å; L232-L237 HydrophobicContact CD2-CD1 3.41Å; L232-L237 VanDerWaalsContact CD2-CD1 3.41Å; L232-L237 HydrophobicContact CD2-CG 3.78Å; R234-L237 PolarHBondContact O-N 2.84Å; R234-L237 VanDerWaalsContact O-N 3.14Å; L237-R239 PolarHBondContact O-N 3.04Å; L237-A240 PolarHBondContact O-N 3.03Å; L237-L245 HydrophobicContact CD2-CD1 3.96Å; L237-L245 HydrophobicContact CD2-CD2 3.79Å; L237-L245 HydrophobicContact CD2-CG 4.28Å; L237-F249 HydrophobicContact CD2-CD2 3.81Å; L237-F249 HydrophobicContact CD2-CE2 4.1Å; L237-F249 HydrophobicContact CD2-CG 4.24Å; L237-F249 HydrophobicContact CG-CD2 4.36Å; L237-F249 HydrophobicContact CG-CE2 4.37Å; L237-V296 HydrophobicContact CD1-CG1 3.52Å; L237-P297 HydrophobicContact CD1-CB 4.3Å; L237-P297 HydrophobicContact CD1-CG 4.31Å
238	D	87.5	Confident	90	Very high	76 Å²	76	68.2 Å²	68.2	41%	0.406	33%	0.331	S	S	.	.	H	α-helix	trans	-66.6	-26.4	-177.6	-65	-26	0	0	0	112.4	R234 Y235	R234-D238 IonicContact CZ-OD1 3.47Å; R234-D238 IonicContact NE-OD1 3.68Å; R234-D238 PolarHBondContact NE-OD1 2.98Å; R234-D238 IonicContact NE-OD2 2.93Å; R234-D238 PolarHBondContact NE-OD2 2.82Å; R234-D238 IonicContact NH2-OD1 3.28Å; R234-D238 PolarHBondContact NH2-OD1 2.8Å; R234-D238 IonicContact NH2-OD2 3.63Å; R234-D238 PolarHBondContact O-N 2.85Å; Y235-D238 PolarHBondContact O-N 3Å
239	R	89	Confident	90	Very high	208 Å²	208	68.3 Å²	68.3	79%	0.785	33%	0.331	S	S	*	.	H	α-helix	trans	-88	-17.3	176.7	-72.1	-177.2	-179.6	-175.8	1.2	114.4	Y235 L237	Y235-R239 WeakPolarHBondContact O-CG 3.44Å; Y235-R239 PolarHBondContact O-N 3.13Å; Y235-R239 VanDerWaalsContact O-N 3.16Å; L237-R239 PolarHBondContact O-N 3.04Å
240	A	90.1	Very high	89.9	Confident	20 Å²	20	69.9 Å²	69.9	17%	0.165	34%	0.34	C	S	.	.	S	Bend	trans	-81.3	155.4	-177.6	0	0	0	0	0	111.6	M236 L237 R242 L245 F249	M236-A240 PolarHBondContact O-N 3.42Å; L237-A240 PolarHBondContact O-N 3.03Å; A240-R242 PolarHBondContact O-N 2.83Å; A240-L245 HydrophobicContact CB-CD2 3.55Å; A240-F249 HydrophobicContact CB-CE2 3.6Å; A240-F249 HydrophobicContact CB-CZ 3.98Å
241	N	90.3	Very high	90.1	Very high	85 Å²	85	73.9 Å²	73.9	46%	0.455	36%	0.356	S	S	.	.			trans	-66	125.6	173.1	-175.5	-0.1	0	0	0	109.5	S243 E244 L245	N241-S243 PolarHBondContact ND2-OG 3.03Å; N241-S243 VanDerWaalsContact ND2-OG 3.11Å; N241-S243 PolarHBondContact O-N 2.82Å; N241-S243 PolarHBondContact OD1-N 2.73Å; N241-S243 PolarHBondContact OD1-OG 2.86Å; N241-E244 HydrophobicContact CB-CB 4.41Å; N241-E244 HydrophobicContact CB-CG 4.41Å; N241-E244 PolarHBondContact ND2-OE1 3.04Å; N241-E244 PolarHBondContact O-N 2.86Å; N241-L245 PolarHBondContact O-N 2.86Å
242	R	89	Confident	90.5	Very high	93 Å²	93	71.2 Å²	71.2	35%	0.351	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-53.4	-41.8	-178.7	-71.5	-176.7	71.7	87.5	-5.3	111.8	A240 E244 L245 L276	A240-R242 PolarHBondContact O-N 2.83Å; R242-E244 PolarHBondContact O-N 3.47Å; R242-L245 WeakPolarHBondContact O-CG 3.34Å; R242-L245 PolarHBondContact O-N 3.43Å; R242-L276 HydrophobicContact CB-CD2 4.06Å; R242-L276 WeakPolarHBondContact O-CD2 3.26Å
243	S	87	Confident	90.9	Very high	77 Å²	77	70.5 Å²	70.5	54%	0.538	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-66	-18.6	-178.2	58.1	0	0	0	0	114	N241 H246	N241-S243 PolarHBondContact ND2-OG 3.03Å; N241-S243 VanDerWaalsContact ND2-OG 3.11Å; N241-S243 PolarHBondContact O-N 2.82Å; N241-S243 PolarHBondContact OD1-N 2.73Å; N241-S243 PolarHBondContact OD1-OG 2.86Å; S243-H246 PolarHBondContact O-CE1 2.83Å; S243-H246 PolarHBondContact O-ND1 2.91Å
244	E	90.4	Very high	91.4	Very high	87 Å²	87	64.8 Å²	64.8	41%	0.407	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-107.2	1.8	-175.8	-66.1	174.5	-154.7	0	0	113.3	N241 R242 H246 T247 Q248	N241-E244 HydrophobicContact CB-CB 4.41Å; N241-E244 HydrophobicContact CB-CG 4.41Å; N241-E244 PolarHBondContact ND2-OE1 3.04Å; N241-E244 PolarHBondContact O-N 2.86Å; R242-E244 PolarHBondContact O-N 3.47Å; E244-H246 PolarHBondContact O-N 2.94Å; E244-T247 PolarHBondContact O-N 3.25Å; E244-T247 VanDerWaalsContact O-N 3.1Å; E244-Q248 HydrophobicContact CB-CG 4.41Å; E244-Q248 WeakPolarHBondContact O-CG 3.22Å; E244-Q248 PolarHBondContact O-N 3.21Å; E244-Q248 PolarHBondContact OE2-NE2 3.15Å
245	L	93.1	Very high	91.8	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-41.2	-175.2	-66.7	-175.8	0	0	0	112.1	L237 A240 N241 R242 Q248 F249 L276 P277 W288	L237-L245 HydrophobicContact CD2-CD1 3.96Å; L237-L245 HydrophobicContact CD2-CD2 3.79Å; L237-L245 HydrophobicContact CD2-CG 4.28Å; A240-L245 HydrophobicContact CB-CD2 3.55Å; N241-L245 PolarHBondContact O-N 2.86Å; R242-L245 WeakPolarHBondContact O-CG 3.34Å; R242-L245 PolarHBondContact O-N 3.43Å; L245-Q248 PolarHBondContact O-N 3.41Å; L245-F249 HydrophobicContact CB-CD2 4.32Å; L245-F249 HydrophobicContact CD2-CD2 3.81Å; L245-F249 HydrophobicContact CD2-CE2 3.6Å; L245-F249 WeakPolarHBondContact O-CB 3.37Å; L245-F249 WeakPolarHBondContact O-CD2 3.44Å; L245-F249 PolarHBondContact O-N 3.49Å; L245-L276 HydrophobicContact CD1-CD2 4.21Å; L245-P277 HydrophobicContact CD1-CG 4.46Å; L245-W288 HydrophobicContact CD1-CZ2 4.21Å
246	H	91.8	Very high	92	Very high	40 Å²	40	60.4 Å²	60.4	19%	0.185	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-46.2	178.8	68.7	-84.8	0	0	0	111.3	S243 E244 Q248 L250 I273 W299	S243-H246 PolarHBondContact O-CE1 2.83Å; S243-H246 PolarHBondContact O-ND1 2.91Å; E244-H246 PolarHBondContact O-N 2.94Å; H246-Q248 PolarHBondContact O-N 3.32Å; H246-L250 HydrophobicContact CB-CD1 3.94Å; H246-L250 HydrophobicContact CB-CG 4.43Å; H246-L250 VanDerWaalsContact O-CB 3.25Å; H246-L250 WeakPolarHBondContact O-CB 3.21Å; H246-L250 VanDerWaalsContact O-CD1 3.31Å; H246-L250 WeakPolarHBondContact O-CD1 3.39Å; H246-L250 WeakPolarHBondContact O-CG 3.43Å; H246-L250 PolarHBondContact O-N 2.69Å; H246-I273 HydrophobicContact CB-CG2 4.45Å; H246-I273 VanDerWaalsContact CB-O 3.3Å; H246-I273 WeakPolarHBondContact CB-O 3.46Å; H246-I273 PolarHBondContact CD2-O 3.45Å; H246-W299 HydrophobicContact CB-CH2 4.37Å; H246-W299 HydrophobicContact CB-CZ2 3.81Å
247	T	91.5	Very high	92.3	Very high	104 Å²	104	59.6 Å²	59.6	64%	0.638	29%	0.294	S	S	*	.	H	α-helix	trans	-62.9	-40.5	178.5	-39.7	0	0	0	0	112.2	E244	E244-T247 PolarHBondContact O-N 3.25Å; E244-T247 VanDerWaalsContact O-N 3.1Å
248	Q	92.5	Very high	92.5	Very high	73 Å²	73	60 Å²	60	34%	0.341	30%	0.295	S	S	.	.	H	α-helix	trans	-82.3	-36.5	-173.8	-65.2	-173.7	23.7	0	0	113.2	E244 L245 H246 K251	E244-Q248 HydrophobicContact CB-CG 4.41Å; E244-Q248 WeakPolarHBondContact O-CG 3.22Å; E244-Q248 PolarHBondContact O-N 3.21Å; E244-Q248 PolarHBondContact OE2-NE2 3.15Å; L245-Q248 PolarHBondContact O-N 3.41Å; H246-Q248 PolarHBondContact O-N 3.32Å; Q248-K251 VanDerWaalsContact O-CE 3.32Å; Q248-K251 WeakPolarHBondContact O-CE 3.29Å
249	F	95	Very high	92.9	Very high	14 Å²	14	59 Å²	59	6%	0.061	29%	0.286	C	S	.	.	H	α-helix	trans	-113.6	-12.6	-165	-61	-73.2	0	0	0	115.8	L229 L232 M236 L237 A240 L245 K251 Y252 W299	L229-F249 HydrophobicContact CD1-CB 4.11Å; L232-F249 HydrophobicContact CD1-CD1 3.5Å; L232-F249 HydrophobicContact CD1-CE1 3.73Å; L232-F249 HydrophobicContact CD2-CD1 3.61Å; L232-F249 HydrophobicContact CD2-CE1 4.04Å; L232-F249 HydrophobicContact CD2-CG 4.24Å; L232-F249 HydrophobicContact CG-CD1 4.18Å; L232-F249 HydrophobicContact CG-CE1 4.38Å; M236-F249 HydrophobicContact CB-CE1 4.23Å; M236-F249 HydrophobicContact CB-CZ 4.38Å; L237-F249 HydrophobicContact CD2-CD2 3.81Å; L237-F249 HydrophobicContact CD2-CE2 4.1Å; L237-F249 HydrophobicContact CD2-CG 4.24Å; L237-F249 HydrophobicContact CG-CD2 4.36Å; L237-F249 HydrophobicContact CG-CE2 4.37Å; A240-F249 HydrophobicContact CB-CE2 3.6Å; A240-F249 HydrophobicContact CB-CZ 3.98Å; L245-F249 HydrophobicContact CB-CD2 4.32Å; L245-F249 HydrophobicContact CD2-CD2 3.81Å; L245-F249 HydrophobicContact CD2-CE2 3.6Å; L245-F249 WeakPolarHBondContact O-CB 3.37Å; L245-F249 WeakPolarHBondContact O-CD2 3.44Å; L245-F249 PolarHBondContact O-N 3.49Å; F249-K251 PolarHBondContact O-N 2.84Å; F249-K251 VanDerWaalsContact O-N 3.13Å; F249-Y252 HydrophobicContact CB-CD2 4.47Å; F249-Y252 HydrophobicContact CD1-CD2 4.12Å; F249-Y252 HydrophobicContact CD1-CE2 4.14Å; F249-Y252 WeakPolarHBondContact O-CB 3.43Å; F249-Y252 PolarHBondContact O-N 3.26Å; F249-W299 HydrophobicContact CB-CH2 4.41Å; F249-W299 HydrophobicContact CB-CZ3 4.41Å
250	L	92.7	Very high	93	Very high	39 Å²	39	53.6 Å²	53.6	20%	0.204	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-61.1	-22.9	176.7	-80.4	170.6	0	0	0	113.7	H246 Y252 D253 I273 W299	H246-L250 HydrophobicContact CB-CD1 3.94Å; H246-L250 HydrophobicContact CB-CG 4.43Å; H246-L250 VanDerWaalsContact O-CB 3.25Å; H246-L250 WeakPolarHBondContact O-CB 3.21Å; H246-L250 VanDerWaalsContact O-CD1 3.31Å; H246-L250 WeakPolarHBondContact O-CD1 3.39Å; H246-L250 WeakPolarHBondContact O-CG 3.43Å; H246-L250 PolarHBondContact O-N 2.69Å; L250-Y252 PolarHBondContact O-N 3.06Å; L250-Y252 VanDerWaalsContact O-N 3.13Å; L250-D253 HydrophobicContact CD2-CB 4.34Å; L250-D253 WeakPolarHBondContact O-CB 3.43Å; L250-D253 PolarHBondContact O-N 2.89Å; L250-I273 HydrophobicContact CD1-CB 3.84Å; L250-I273 HydrophobicContact CD1-CG2 4.16Å; L250-I273 HydrophobicContact CD2-CB 4.46Å; L250-I273 HydrophobicContact CD2-CD1 4.05Å; L250-I273 HydrophobicContact CD2-CG2 4.4Å; L250-W299 HydrophobicContact CD2-CD2 3.84Å; L250-W299 HydrophobicContact CD2-CE3 3.54Å; L250-W299 HydrophobicContact CD2-CG 4.49Å; L250-W299 HydrophobicContact CD2-CH2 4.23Å; L250-W299 HydrophobicContact CD2-CZ2 4.46Å; L250-W299 HydrophobicContact CD2-CZ3 3.76Å; L250-W299 HydrophobicContact CG-CE3 4.29Å; L250-W299 HydrophobicContact CG-CH2 4.09Å; L250-W299 HydrophobicContact CG-CZ2 4.44Å; L250-W299 HydrophobicContact CG-CZ3 3.99Å
251	K	92.6	Very high	93.2	Very high	159 Å²	159	60.1 Å²	60.1	69%	0.691	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-62.6	-15.4	172.5	66.8	-178.3	179.7	-176.5	0	114.1	Q248 F249	Q248-K251 VanDerWaalsContact O-CE 3.32Å; Q248-K251 WeakPolarHBondContact O-CE 3.29Å; F249-K251 PolarHBondContact O-N 2.84Å; F249-K251 VanDerWaalsContact O-N 3.13Å
252	Y	95	Very high	93.4	Very high	85 Å²	85	57.7 Å²	57.7	33%	0.333	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-98.8	1.3	174.6	-56.9	-78.4	0	0	0	112.7	L229 Q230 L232 F249 L250 Q254	L229-Y252 CarbonylContact C-O 3.59Å; L229-Y252 WeakPolarHBondContact CA-O 3.34Å; Q230-Y252 PolarHBondContact N-O 2.84Å; L232-Y252 HydrophobicContact CD1-CD2 3.73Å; L232-Y252 HydrophobicContact CD1-CE2 3.8Å; L232-Y252 HydrophobicContact CD1-CG 4.14Å; F249-Y252 HydrophobicContact CB-CD2 4.47Å; F249-Y252 HydrophobicContact CD1-CD2 4.12Å; F249-Y252 HydrophobicContact CD1-CE2 4.14Å; F249-Y252 WeakPolarHBondContact O-CB 3.43Å; F249-Y252 PolarHBondContact O-N 3.26Å; L250-Y252 PolarHBondContact O-N 3.06Å; L250-Y252 VanDerWaalsContact O-N 3.13Å; Y252-Q254 PolarHBondContact O-N 2.88Å
253	D	96.1	Very high	93.5	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-71.2	120.6	-178.8	-178.1	61.5	0	0	0	111.3	L229 L250 L255 A256 D257 R302	L229-D253 HydrophobicContact CD2-CB 4.1Å; L250-D253 HydrophobicContact CD2-CB 4.34Å; L250-D253 WeakPolarHBondContact O-CB 3.43Å; L250-D253 PolarHBondContact O-N 2.89Å; D253-L255 VanDerWaalsContact C-N 3.29Å; D253-L255 PolarHBondContact O-N 3.2Å; D253-L255 WeakPolarHBondContact OD2-CB 3.15Å; D253-L255 PolarHBondContact OD2-N 2.97Å; D253-A256 HydrophobicContact CB-CB 4.01Å; D253-A256 PolarHBondContact O-N 2.82Å; D253-A256 PolarHBondContact OD2-N 2.88Å; D253-D257 PolarHBondContact O-N 3.3Å; D253-R302 VanDerWaalsContact CG-NH1 3.35Å; D253-R302 IonicContact OD1-NH1 2.86Å; D253-R302 PolarHBondContact OD1-NH1 2.73Å; D253-R302 VanDerWaalsContact OD1-NH1 3.16Å; D253-R302 IonicContact OD2-CZ 2.97Å; D253-R302 IonicContact OD2-NH1 3.23Å; D253-R302 PolarHBondContact OD2-NH1 3.41Å; D253-R302 IonicContact OD2-NH2 2.73Å; D253-R302 PolarHBondContact OD2-NH2 2.99Å
254	Q	97.1	Very high	94	Very high	4 Å²	4	54 Å²	54	2%	0.019	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-35.2	-179.7	-73.1	169.6	-19.9	0	0	112.7	V183 L186 Y227 R228 Q230 Y252 M258	V183-Q254 PolarHBondContact O-NE2 3.34Å; L186-Q254 HydrophobicContact CD1-CB 3.78Å; L186-Q254 HydrophobicContact CD1-CG 4.11Å; L186-Q254 HydrophobicContact CD2-CG 4.43Å; Y227-Q254 HydrophobicContact CD1-CB 3.68Å; Y227-Q254 HydrophobicContact CG-CB 4.37Å; R228-Q254 WeakPolarHBondContact O-CB 3.33Å; R228-Q254 VanDerWaalsContact O-CG 3.23Å; R228-Q254 WeakPolarHBondContact O-CG 3.41Å; R228-Q254 PolarHBondContact O-N 3.15Å; Q230-Q254 HydrophobicContact CB-CG 4.12Å; Y252-Q254 PolarHBondContact O-N 2.88Å; Q254-M258 WeakPolarHBondContact O-CB 3.39Å; Q254-M258 VanDerWaalsContact O-CG 3.26Å; Q254-M258 WeakPolarHBondContact O-CG 3.26Å; Q254-M258 PolarHBondContact O-N 3.19Å
255	L	96.9	Very high	94.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-46.8	179	-179.6	66.5	0	0	0	110.4	M225 Y227 D253 D257 M258 R259 I264 F265 R302 L304	M225-L255 HydrophobicContact SD-CD1 4.49Å; M225-L255 HydrophobicContact SD-CD2 4.03Å; Y227-L255 HydrophobicContact CD1-CB 4.21Å; Y227-L255 HydrophobicContact CD2-CB 3.69Å; Y227-L255 HydrophobicContact CD2-CD1 3.67Å; Y227-L255 HydrophobicContact CD2-CD2 4.42Å; Y227-L255 HydrophobicContact CD2-CG 4.12Å; Y227-L255 HydrophobicContact CE2-CB 4.32Å; Y227-L255 HydrophobicContact CE2-CD1 3.45Å; Y227-L255 VanDerWaalsContact CE2-CD1 3.45Å; Y227-L255 HydrophobicContact CE2-CG 4.39Å; Y227-L255 HydrophobicContact CG-CB 3.63Å; Y227-L255 HydrophobicContact CG-CD1 4.35Å; D253-L255 VanDerWaalsContact C-N 3.29Å; D253-L255 PolarHBondContact O-N 3.2Å; D253-L255 WeakPolarHBondContact OD2-CB 3.15Å; D253-L255 PolarHBondContact OD2-N 2.97Å; L255-D257 VanDerWaalsContact C-N 3.35Å; L255-D257 PolarHBondContact O-N 3.35Å; L255-M258 PolarHBondContact O-N 2.83Å; L255-R259 HydrophobicContact CD1-CG 4.2Å; L255-R259 HydrophobicContact CG-CG 4.43Å; L255-R259 WeakPolarHBondContact O-CB 3.4Å; L255-R259 VanDerWaalsContact O-CG 3.3Å; L255-R259 WeakPolarHBondContact O-CG 3.45Å; L255-R259 PolarHBondContact O-N 2.86Å; L255-I264 HydrophobicContact CD1-CD1 3.35Å; L255-F265 HydrophobicContact CD1-CD2 3.87Å; L255-F265 HydrophobicContact CD1-CE2 4.1Å; L255-R302 HydrophobicContact CD2-CB 4.13Å; L255-R302 HydrophobicContact CD2-CG 3.87Å; L255-L304 HydrophobicContact CD2-CD1 4.12Å
256	A	94.4	Very high	94.2	Very high	39 Å²	39	56 Å²	56	32%	0.322	29%	0.286	S	S	.	.	H	α-helix	trans	-58	-45.4	176.5	0	0	0	0	0	112	D253 S260	D253-A256 HydrophobicContact CB-CB 4.01Å; D253-A256 PolarHBondContact O-N 2.82Å; D253-A256 PolarHBondContact OD2-N 2.88Å; A256-S260 WeakPolarHBondContact O-CB 3.44Å; A256-S260 PolarHBondContact O-N 3.32Å
257	D	94.6	Very high	94.2	Very high	44 Å²	44	60.3 Å²	60.3	24%	0.235	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-52	177.1	179.7	52.2	0	0	0	111.7	D253 L255 R259 S260 R261	D253-D257 PolarHBondContact O-N 3.3Å; L255-D257 VanDerWaalsContact C-N 3.35Å; L255-D257 PolarHBondContact O-N 3.35Å; D257-R259 VanDerWaalsContact C-N 3.31Å; D257-R259 PolarHBondContact O-N 3.09Å; D257-S260 PolarHBondContact O-N 3.37Å; D257-S260 VanDerWaalsContact O-N 3.16Å; D257-S260 PolarHBondContact O-OG 3.06Å; D257-R261 VanDerWaalsContact CG-NH2 3.27Å; D257-R261 WeakPolarHBondContact O-CG 3.41Å; D257-R261 PolarHBondContact O-N 3.29Å; D257-R261 VanDerWaalsContact O-N 3.13Å; D257-R261 IonicContact OD1-CZ 3.48Å; D257-R261 VanDerWaalsContact OD1-CZ 3.27Å; D257-R261 IonicContact OD1-NE 3.32Å; D257-R261 PolarHBondContact OD1-NE 3.37Å; D257-R261 IonicContact OD1-NH2 3.13Å; D257-R261 PolarHBondContact OD1-NH2 2.99Å; D257-R261 IonicContact OD2-CZ 3.8Å; D257-R261 IonicContact OD2-NE 3.63Å; D257-R261 PolarHBondContact OD2-NE 2.91Å; D257-R261 IonicContact OD2-NH1 3.34Å; D257-R261 IonicContact OD2-NH2 2.99Å; D257-R261 PolarHBondContact OD2-NH2 3.11Å
258	M	95.6	Very high	94.4	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.049	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-35.1	-179.1	-65.2	-62.6	96.6	0	0	113	L186 Q254 L255 G262 L263 I264	L186-M258 HydrophobicContact CD1-CG 3.94Å; L186-M258 HydrophobicContact CD1-SD 4.49Å; L186-M258 HydrophobicContact CD2-CE 4.19Å; L186-M258 HydrophobicContact CD2-CG 4.48Å; L186-M258 HydrophobicContact CD2-SD 4.15Å; L186-M258 HydrophobicContact CG-SD 4.48Å; Q254-M258 WeakPolarHBondContact O-CB 3.39Å; Q254-M258 VanDerWaalsContact O-CG 3.26Å; Q254-M258 WeakPolarHBondContact O-CG 3.26Å; Q254-M258 PolarHBondContact O-N 3.19Å; L255-M258 PolarHBondContact O-N 2.83Å; M258-G262 PolarHBondContact O-N 3.02Å; M258-L263 PolarHBondContact O-N 2.95Å; M258-L263 HydrophobicContact SD-CD1 3.96Å; M258-I264 HydrophobicContact CB-CD1 3.79Å; M258-I264 HydrophobicContact CB-CG1 3.36Å; M258-I264 HydrophobicContact CG-CG1 4.39Å
259	R	95.1	Very high	94.5	Very high	55 Å²	55	57.7 Å²	57.7	21%	0.208	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-42.7	173	-75.3	179	63.7	-142.6	-2.9	112.3	L255 D257 R261 G262 I264 F265 F268 E270	L255-R259 HydrophobicContact CD1-CG 4.2Å; L255-R259 HydrophobicContact CG-CG 4.43Å; L255-R259 WeakPolarHBondContact O-CB 3.4Å; L255-R259 VanDerWaalsContact O-CG 3.3Å; L255-R259 WeakPolarHBondContact O-CG 3.45Å; L255-R259 PolarHBondContact O-N 2.86Å; D257-R259 VanDerWaalsContact C-N 3.31Å; D257-R259 PolarHBondContact O-N 3.09Å; R259-R261 PolarHBondContact O-N 3.2Å; R259-G262 WeakPolarHBondContact O-CA 3.47Å; R259-G262 PolarHBondContact O-N 2.76Å; R259-I264 HydrophobicContact CG-CD1 3.59Å; R259-F265 HydrophobicContact CG-CB 4.09Å; R259-F268 PolarHBondContact NH2-O 3.13Å; R259-E270 IonicContact NH1-OE2 3.96Å; R259-E270 PolarHBondContact NH1-OE2 3.1Å
260	S	92.9	Very high	94.5	Very high	96 Å²	96	58.6 Å²	58.6	67%	0.671	29%	0.293	S	S	*	.	H	α-helix	trans	-61.5	-29.2	178.2	77	0	0	0	0	112.6	A256 D257 G262	A256-S260 WeakPolarHBondContact O-CB 3.44Å; A256-S260 PolarHBondContact O-N 3.32Å; D257-S260 PolarHBondContact O-N 3.37Å; D257-S260 VanDerWaalsContact O-N 3.16Å; D257-S260 PolarHBondContact O-OG 3.06Å; S260-G262 VanDerWaalsContact C-N 3.32Å
261	R	94	Very high	94.6	Very high	156 Å²	156	57.2 Å²	57.2	59%	0.589	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.6	174.1	-62	175.3	-166.8	-158.5	4.6	113.7	D257 R259 L263	D257-R261 VanDerWaalsContact CG-NH2 3.27Å; D257-R261 WeakPolarHBondContact O-CG 3.41Å; D257-R261 PolarHBondContact O-N 3.29Å; D257-R261 VanDerWaalsContact O-N 3.13Å; D257-R261 IonicContact OD1-CZ 3.48Å; D257-R261 VanDerWaalsContact OD1-CZ 3.27Å; D257-R261 IonicContact OD1-NE 3.32Å; D257-R261 PolarHBondContact OD1-NE 3.37Å; D257-R261 IonicContact OD1-NH2 3.13Å; D257-R261 PolarHBondContact OD1-NH2 2.99Å; D257-R261 IonicContact OD2-CZ 3.8Å; D257-R261 IonicContact OD2-NE 3.63Å; D257-R261 PolarHBondContact OD2-NE 2.91Å; D257-R261 IonicContact OD2-NH1 3.34Å; D257-R261 IonicContact OD2-NH2 2.99Å; D257-R261 PolarHBondContact OD2-NH2 3.11Å; R259-R261 PolarHBondContact O-N 3.2Å; R261-L263 VanDerWaalsContact C-N 3.28Å; R261-L263 HydrophobicContact CB-CD1 4.09Å; R261-L263 HydrophobicContact CB-CG 3.95Å; R261-L263 PolarHBondContact O-N 2.92Å
262	G	93.2	Very high	94.7	Very high	35 Å²	35	53 Å²	53	36%	0.361	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	19.9	-177.7	0	0	0	0	0	114.8	M258 R259 S260	M258-G262 PolarHBondContact O-N 3.02Å; R259-G262 WeakPolarHBondContact O-CA 3.47Å; R259-G262 PolarHBondContact O-N 2.76Å; S260-G262 VanDerWaalsContact C-N 3.32Å
263	L	93	Very high	94.7	Very high	92 Å²	92	49.5 Å²	49.5	48%	0.482	27%	0.271	S	S	.	.	S	Bend	trans	-83.9	-24.9	-174.5	-66.4	176.6	0	0	0	113.7	M258 R261	M258-L263 PolarHBondContact O-N 2.95Å; M258-L263 HydrophobicContact SD-CD1 3.96Å; R261-L263 VanDerWaalsContact C-N 3.28Å; R261-L263 HydrophobicContact CB-CD1 4.09Å; R261-L263 HydrophobicContact CB-CG 3.95Å; R261-L263 PolarHBondContact O-N 2.92Å
264	I	97.1	Very high	94.6	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.304	C	S	.	.	S	Bend	trans	-147.2	148.9	-177.9	51.9	97.9	0	0	0	108.9	N190 Y193 L255 M258 R259 Q266	N190-I264 HydrophobicContact CB-CG2 3.95Å; Y193-I264 HydrophobicContact CD1-CB 3.91Å; Y193-I264 HydrophobicContact CD1-CG2 3.7Å; Y193-I264 HydrophobicContact CE1-CB 4.12Å; Y193-I264 HydrophobicContact CE1-CG2 4.24Å; Y193-I264 HydrophobicContact CG-CB 4.44Å; Y193-I264 HydrophobicContact CG-CG2 4.39Å; L255-I264 HydrophobicContact CD1-CD1 3.35Å; M258-I264 HydrophobicContact CB-CD1 3.79Å; M258-I264 HydrophobicContact CB-CG1 3.36Å; M258-I264 HydrophobicContact CG-CG1 4.39Å; R259-I264 HydrophobicContact CG-CD1 3.59Å; I264-Q266 PolarHBondContact O-N 3.31Å
265	F	96	Very high	94.5	Very high	3 Å²	3	56.8 Å²	56.8	1%	0.013	31%	0.305	C	S	.	.	S	Bend	trans	50.9	42.4	-179.8	-66.7	-72.5	0	0	0	113.4	F179 Y193 W221 M225 L255 R259 D267 F268 L304	F179-F265 HydrophobicContact CE2-CE2 4.05Å; F179-F265 HydrophobicContact CE2-CZ 4.13Å; F179-F265 HydrophobicContact CZ-CE2 4.33Å; F179-F265 AromaticContact CZ-CZ 3.97Å; F179-F265 HydrophobicContact CZ-CZ 3.97Å; Y193-F265 AromaticContact CD2-CD1 3.92Å; Y193-F265 HydrophobicContact CD2-CD1 3.92Å; Y193-F265 HydrophobicContact CD2-CD2 4.1Å; Y193-F265 AromaticContact CD2-CE1 3.56Å; Y193-F265 HydrophobicContact CD2-CE1 3.56Å; Y193-F265 AromaticContact CD2-CE2 3.75Å; Y193-F265 HydrophobicContact CD2-CE2 3.75Å; Y193-F265 HydrophobicContact CD2-CG 4.17Å; Y193-F265 AromaticContact CD2-CZ 3.46Å; Y193-F265 HydrophobicContact CD2-CZ 3.46Å; Y193-F265 VanDerWaalsContact CD2-CZ 3.46Å; Y193-F265 AromaticContact CE2-CD1 3.42Å; Y193-F265 HydrophobicContact CE2-CD1 3.42Å; Y193-F265 VanDerWaalsContact CE2-CD1 3.42Å; Y193-F265 HydrophobicContact CE2-CD2 4.2Å; Y193-F265 AromaticContact CE2-CE1 3.46Å; Y193-F265 HydrophobicContact CE2-CE1 3.46Å; Y193-F265 VanDerWaalsContact CE2-CE1 3.46Å; Y193-F265 HydrophobicContact CE2-CE2 4.23Å; Y193-F265 AromaticContact CE2-CG 3.81Å; Y193-F265 HydrophobicContact CE2-CG 3.81Å; Y193-F265 AromaticContact CE2-CZ 3.88Å; Y193-F265 HydrophobicContact CE2-CZ 3.88Å; Y193-F265 HydrophobicContact CG-CE2 4.34Å; Y193-F265 HydrophobicContact CG-CZ 4.42Å; Y193-F265 VanDerWaalsContact CZ-N 3.28Å; Y193-F265 PolarHBondContact OH-N 2.9Å; W221-F265 HydrophobicContact CB-CE1 3.96Å; W221-F265 AromaticContact CD1-CE1 3.78Å; W221-F265 AromaticContact CD1-CZ 3.85Å; W221-F265 AromaticContact CD2-CE1 3.46Å; W221-F265 HydrophobicContact CD2-CE1 3.46Å; W221-F265 VanDerWaalsContact CD2-CE1 3.46Å; W221-F265 HydrophobicContact CD2-CZ 4.08Å; W221-F265 AromaticContact CE2-CE1 3.73Å; W221-F265 AromaticContact CE2-CZ 3.87Å; W221-F265 AromaticContact CE3-CE1 3.91Å; W221-F265 HydrophobicContact CE3-CE1 3.91Å; W221-F265 AromaticContact CG-CE1 3.49Å; W221-F265 HydrophobicContact CG-CE1 3.49Å; W221-F265 VanDerWaalsContact CG-CE1 3.49Å; W221-F265 HydrophobicContact CG-CZ 4.04Å; W221-F265 HydrophobicContact CZ2-CE1 4.36Å; W221-F265 HydrophobicContact CZ2-CZ 4.43Å; W221-F265 AromaticContact NE1-CE1 3.92Å; W221-F265 AromaticContact NE1-CZ 3.75Å; M225-F265 HydrophobicContact CE-CE1 4.44Å; M225-F265 HydrophobicContact CE-CE2 4.39Å; M225-F265 HydrophobicContact CE-CZ 3.86Å; M225-F265 HydrophobicContact SD-CE2 3.75Å; M225-F265 HydrophobicContact SD-CZ 3.8Å; L255-F265 HydrophobicContact CD1-CD2 3.87Å; L255-F265 HydrophobicContact CD1-CE2 4.1Å; R259-F265 HydrophobicContact CG-CB 4.09Å; F265-D267 PolarHBondContact O-N 3.46Å; F265-F268 HydrophobicContact CB-CB 4.04Å; F265-F268 HydrophobicContact CB-CD2 4.32Å; F265-F268 HydrophobicContact CB-CG 4.27Å; F265-F268 HydrophobicContact CD1-CD1 4.23Å; F265-F268 HydrophobicContact CD1-CD2 4.2Å; F265-F268 HydrophobicContact CD1-CG 4.06Å; F265-F268 WeakPolarHBondContact O-CB 3.34Å; F265-F268 PolarHBondContact O-N 3.43Å; F265-L304 HydrophobicContact CB-CD2 4.15Å; F265-L304 HydrophobicContact CD1-CD2 4.45Å; F265-L304 HydrophobicContact CD2-CD2 4.46Å; F265-L304 HydrophobicContact CG-CD2 4.14Å
266	Q	91.9	Very high	94.4	Very high	127 Å²	127	58.4 Å²	58.4	59%	0.593	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	137.2	174.2	-170.7	175	8	0	0	109.9	I264 F268	I264-Q266 PolarHBondContact O-N 3.31Å; Q266-F268 WeakPolarHBondContact O-CD2 3.15Å; Q266-F268 PolarHBondContact O-N 2.92Å
267	D	90	Very high	94.4	Very high	129 Å²	129	56.5 Å²	56.5	69%	0.69	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	-1	-177	-50	-41.7	0	0	0	116.3	F265	F265-D267 PolarHBondContact O-N 3.46Å
268	F	95.7	Very high	94.4	Very high	12 Å²	12	54.4 Å²	54.4	5%	0.053	29%	0.286	C	S	.	.			trans	-76.6	140.8	168.9	-77.2	-109.5	0	0	0	110.5	F214 I219 W221 R259 F265 Q266 L304 W305	F214-F268 HydrophobicContact CD1-CE2 4.46Å; F214-F268 AromaticContact CE1-CE2 3.9Å; F214-F268 HydrophobicContact CE1-CE2 3.9Å; F214-F268 HydrophobicContact CE1-CZ 4.27Å; I219-F268 HydrophobicContact CB-CE1 4.15Å; I219-F268 HydrophobicContact CB-CZ 4.02Å; I219-F268 HydrophobicContact CD1-CZ 4.33Å; I219-F268 HydrophobicContact CG2-CE1 3.85Å; I219-F268 HydrophobicContact CG2-CZ 3.68Å; W221-F268 HydrophobicContact CB-CD1 4.47Å; W221-F268 HydrophobicContact CB-CE1 3.92Å; W221-F268 HydrophobicContact CE3-CZ 4.35Å; R259-F268 PolarHBondContact NH2-O 3.13Å; F265-F268 HydrophobicContact CB-CB 4.04Å; F265-F268 HydrophobicContact CB-CD2 4.32Å; F265-F268 HydrophobicContact CB-CG 4.27Å; F265-F268 HydrophobicContact CD1-CD1 4.23Å; F265-F268 HydrophobicContact CD1-CD2 4.2Å; F265-F268 HydrophobicContact CD1-CG 4.06Å; F265-F268 WeakPolarHBondContact O-CB 3.34Å; F265-F268 PolarHBondContact O-N 3.43Å; Q266-F268 WeakPolarHBondContact O-CD2 3.15Å; Q266-F268 PolarHBondContact O-N 2.92Å; F268-L304 HydrophobicContact CB-CB 4.2Å; F268-L304 HydrophobicContact CB-CD2 4.21Å; F268-L304 HydrophobicContact CD1-CB 3.89Å; F268-L304 HydrophobicContact CG-CB 4.47Å; F268-W305 CarbonylContact C-O 3.46Å; F268-W305 VanDerWaalsContact CA-O 3.27Å; F268-W305 WeakPolarHBondContact CA-O 3.27Å
269	K	95.4	Very high	94.3	Very high	110 Å²	110	54.9 Å²	54.9	48%	0.478	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	155.9	170.6	-62	-178	-175.8	-179.1	0	110.1	L304 W305	K269-L304 CarbonylContact O-C 3.36Å; K269-L304 WeakPolarHBondContact O-CA 3.45Å; K269-W305 HydrophobicContact CB-CD2 3.89Å; K269-W305 HydrophobicContact CB-CE3 4.11Å; K269-W305 HydrophobicContact CB-CH2 3.75Å; K269-W305 HydrophobicContact CB-CZ2 3.49Å; K269-W305 VanDerWaalsContact CB-CZ2 3.49Å; K269-W305 HydrophobicContact CB-CZ3 4.06Å; K269-W305 HydrophobicContact CD-CZ2 4.03Å; K269-W305 HydrophobicContact CG-CZ2 4.39Å; K269-W305 PolarHBondContact N-O 2.9Å; K269-W305 PolarHBondContact O-N 3.32Å
270	E	95.1	Very high	94.2	Very high	33 Å²	33	54.5 Å²	54.5	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.6	171.4	-175.9	168.5	-138	0	0	107.8	R259 R302 L304 W305 Y316	R259-E270 IonicContact NH1-OE2 3.96Å; R259-E270 PolarHBondContact NH1-OE2 3.1Å; E270-R302 VanDerWaalsContact CD-NH2 3.28Å; E270-R302 IonicContact OE1-CZ 2.91Å; E270-R302 IonicContact OE1-NE 3.32Å; E270-R302 PolarHBondContact OE1-NE 2.82Å; E270-R302 IonicContact OE1-NH2 3.6Å; E270-R302 PolarHBondContact OE1-NH2 2.93Å; E270-R302 IonicContact OE2-CZ 2.65Å; E270-R302 IonicContact OE2-NE 3.31Å; E270-R302 IonicContact OE2-NH2 3.16Å; E270-R302 PolarHBondContact OE2-NH2 2.93Å; E270-L304 HydrophobicContact CB-CD2 4.39Å; E270-L304 HydrophobicContact CB-CG 4.16Å; E270-L304 HydrophobicContact CG-CG 4.42Å; E270-W305 VanDerWaalsContact CA-CZ3 3.48Å; E270-Y316 HydrophobicContact CG-CE1 3.87Å; E270-Y316 PolarHBondContact OE1-OH 2.88Å
271	G	93.9	Very high	94.2	Very high	11 Å²	11	50 Å²	50	11%	0.113	26%	0.256	C	S	.	.			trans	-68.2	161	177.9	0	0	0	0	0	112.1	I273	G271-I273 PolarHBondContact O-N 3.31Å
272	A	95.2	Very high	94.2	Very high	71 Å²	71	44.3 Å²	44.3	59%	0.587	24%	0.237	S	C	*	.			trans	-57.9	127.3	165.9	0	0	0	0	0	109.3	E274	A272-E274 HydrophobicContact CB-CG 4.39Å; A272-E274 PolarHBondContact O-N 3.34Å
273	I	95.6	Very high	94	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.056	24%	0.244	C	C	.	.			trans	-87.4	106.7	175.1	-67	172.4	0	0	0	107.3	H246 L250 G271 F275 W299 R302 Y316	H246-I273 HydrophobicContact CB-CG2 4.45Å; H246-I273 VanDerWaalsContact CB-O 3.3Å; H246-I273 WeakPolarHBondContact CB-O 3.46Å; H246-I273 PolarHBondContact CD2-O 3.45Å; L250-I273 HydrophobicContact CD1-CB 3.84Å; L250-I273 HydrophobicContact CD1-CG2 4.16Å; L250-I273 HydrophobicContact CD2-CB 4.46Å; L250-I273 HydrophobicContact CD2-CD1 4.05Å; L250-I273 HydrophobicContact CD2-CG2 4.4Å; G271-I273 PolarHBondContact O-N 3.31Å; I273-F275 HydrophobicContact CB-CE1 4.4Å; I273-F275 HydrophobicContact CG1-CE1 4.25Å; I273-F275 HydrophobicContact CG1-CZ 4.16Å; I273-F275 HydrophobicContact CG2-CD1 4.25Å; I273-F275 HydrophobicContact CG2-CD2 4.27Å; I273-F275 HydrophobicContact CG2-CE1 4.07Å; I273-F275 HydrophobicContact CG2-CE2 4.1Å; I273-F275 HydrophobicContact CG2-CG 4.35Å; I273-F275 HydrophobicContact CG2-CZ 3.99Å; I273-W299 HydrophobicContact CG2-CD2 4.42Å; I273-W299 HydrophobicContact CG2-CG 4.24Å; I273-W299 VanDerWaalsContact CG2-NE1 3.31Å; I273-R302 VanDerWaalsContact CD1-CZ 3.47Å; I273-Y316 HydrophobicContact CD1-CE1 4.47Å; I273-Y316 HydrophobicContact CG1-CD1 4.36Å; I273-Y316 HydrophobicContact CG1-CE1 3.69Å
274	E	94.5	Very high	93.8	Very high	149 Å²	149	45.4 Å²	45.4	70%	0.696	25%	0.246	S	C	*	.			trans	-111	6.7	178.4	-61.2	-178.2	167.2	0	0	112	A272	A272-E274 HydrophobicContact CB-CG 4.39Å; A272-E274 PolarHBondContact O-N 3.34Å
275	F	93.8	Very high	93.7	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.039	26%	0.258	C	S	.	.	S	Bend	trans	-107.4	160	-178.5	55.6	-94.2	0	0	0	112.5	I273 T278 W299 Y316 V330	I273-F275 HydrophobicContact CB-CE1 4.4Å; I273-F275 HydrophobicContact CG1-CE1 4.25Å; I273-F275 HydrophobicContact CG1-CZ 4.16Å; I273-F275 HydrophobicContact CG2-CD1 4.25Å; I273-F275 HydrophobicContact CG2-CD2 4.27Å; I273-F275 HydrophobicContact CG2-CE1 4.07Å; I273-F275 HydrophobicContact CG2-CE2 4.1Å; I273-F275 HydrophobicContact CG2-CG 4.35Å; I273-F275 HydrophobicContact CG2-CZ 3.99Å; F275-T278 HydrophobicContact CD2-CG2 4.13Å; F275-T278 HydrophobicContact CE2-CG2 3.94Å; F275-W299 AromaticContact CD2-CD1 3.98Å; F275-W299 AromaticContact CE2-CD1 3.66Å; F275-W299 PolarHBondContact O-NE1 2.99Å; F275-Y316 AromaticContact CE1-CD1 3.97Å; F275-Y316 HydrophobicContact CE1-CD1 3.97Å; F275-Y316 HydrophobicContact CE1-CD2 4.08Å; F275-Y316 AromaticContact CE1-CE1 3.97Å; F275-Y316 HydrophobicContact CE1-CE1 3.97Å; F275-Y316 HydrophobicContact CE1-CE2 4.05Å; F275-Y316 HydrophobicContact CE1-CG 4.03Å; F275-Y316 AromaticContact CE1-CZ 3.98Å; F275-Y316 HydrophobicContact CZ-CD2 4.49Å; F275-Y316 HydrophobicContact CZ-CE1 4.12Å; F275-Y316 HydrophobicContact CZ-CE2 4.01Å; F275-Y316 AromaticContact CZ-CZ 3.79Å; F275-V330 HydrophobicContact CE2-CG1 4.49Å; F275-V330 HydrophobicContact CE2-CG2 4.17Å; F275-V330 HydrophobicContact CZ-CG1 4.04Å
276	L	95.2	Very high	93.5	Very high	33 Å²	33	49.9 Å²	49.9	17%	0.173	27%	0.271	C	S	.	.			trans	-63.6	155.1	179.6	-61.2	177.5	0	0	0	112.2	R242 L245 T278 W299	R242-L276 HydrophobicContact CB-CD2 4.06Å; R242-L276 WeakPolarHBondContact O-CD2 3.26Å; L245-L276 HydrophobicContact CD1-CD2 4.21Å; L276-T278 PolarHBondContact O-N 3.47Å; L276-W299 PolarHBondContact O-NE1 2.82Å
277	P	95.4	Very high	93.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.27	C	S	.	.			trans	-48.4	135.1	168.3	-27	34.3	0	0	0	111.4	L245 Y281 W288 P297 W299	L245-P277 HydrophobicContact CD1-CG 4.46Å; P277-Y281 WeakPolarHBondContact O-CE2 3.26Å; P277-Y281 PolarHBondContact O-OH 3.49Å; P277-Y281 VanDerWaalsContact O-OH 3.05Å; P277-W288 HydrophobicContact CB-CH2 3.95Å; P277-W288 HydrophobicContact CB-CZ3 4.31Å; P277-W288 HydrophobicContact CG-CH2 4.25Å; P277-W288 WeakPolarHBondContact O-CH2 3.31Å; P277-W288 WeakPolarHBondContact O-CZ3 3.45Å; P277-P297 HydrophobicContact CB-CB 3.75Å; P277-P297 HydrophobicContact CG-CB 4.09Å; P277-W299 HydrophobicContact CB-CD2 4.46Å; P277-W299 HydrophobicContact CG-CD2 4.25Å; P277-W299 HydrophobicContact CG-CE3 4.46Å; P277-W299 HydrophobicContact CG-CH2 3.89Å; P277-W299 HydrophobicContact CG-CZ2 3.65Å; P277-W299 HydrophobicContact CG-CZ3 4.3Å
278	T	94	Very high	93.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.			trans	-92	-10.4	-172.3	55.1	0	0	0	0	112.7	F275 L276 A298 D301 H327 K328 V330	F275-T278 HydrophobicContact CD2-CG2 4.13Å; F275-T278 HydrophobicContact CE2-CG2 3.94Å; L276-T278 PolarHBondContact O-N 3.47Å; T278-A298 PolarHBondContact N-O 2.9Å; T278-A298 VanDerWaalsContact N-O 3.11Å; T278-D301 WeakPolarHBondContact CB-OD2 3.3Å; T278-D301 HydrophobicContact CG2-CB 4.33Å; T278-D301 WeakPolarHBondContact OG1-CB 3.49Å; T278-D301 PolarHBondContact OG1-OD2 3.41Å; T278-H327 CarbonylContact O-C 3.59Å; T278-H327 VanDerWaalsContact O-CA 3.23Å; T278-H327 WeakPolarHBondContact O-CA 3.29Å; T278-K328 HydrophobicContact CG2-CB 4.33Å; T278-K328 PolarHBondContact O-N 3.4Å; T278-V330 HydrophobicContact CG2-CG2 3.39Å
279	Y	93.7	Very high	93.7	Very high	20 Å²	20	43.2 Å²	43.2	8%	0.078	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-133.3	149.5	179.4	172.7	-103.5	0	0	0	109.1	R295 P297 A298 C300 H327	Y279-R295 HydrophobicContact CE1-CB 4.5Å; Y279-P297 CarbonylContact O-C 3.6Å; Y279-P297 WeakPolarHBondContact O-CA 3.39Å; Y279-A298 HydrophobicContact CD1-CB 4.45Å; Y279-A298 PolarHBondContact N-O 2.88Å; Y279-A298 VanDerWaalsContact N-O 3.12Å; Y279-A298 PolarHBondContact O-N 2.92Å; Y279-C300 WeakPolarHBondContact CD1-SG 3.17Å; Y279-H327 AromaticContact CD2-CD2 3.66Å; Y279-H327 AromaticContact CD2-CE1 3.45Å; Y279-H327 VanDerWaalsContact CD2-CE1 3.45Å; Y279-H327 WeakPolarHBondContact CD2-CE1 3.46Å; Y279-H327 AromaticContact CD2-NE2 3.08Å; Y279-H327 WeakPolarHBondContact CD2-NE2 3.48Å; Y279-H327 AromaticContact CE2-NE2 3.54Å; Y279-H327 AromaticContact CG-CE1 3.89Å; Y279-H327 AromaticContact CG-NE2 3.97Å
280	K	92.6	Very high	93.6	Very high	47 Å²	47	42 Å²	42	20%	0.204	25%	0.245	C	C	.	.			cis	-110.8	135.4	-10.9	-171.1	-179.1	166.9	83.3	0	108.8	D289 R295 D326	K280-D289 HydrophobicContact CB-CB 3.96Å; K280-D289 HydrophobicContact CD-CB 4.03Å; K280-D289 HydrophobicContact CG-CB 4.05Å; K280-D289 PolarHBondContact O-N 3.25Å; K280-R295 HydrophobicContact CB-CB 4.25Å; K280-R295 HydrophobicContact CD-CB 4.25Å; K280-R295 HydrophobicContact CD-CG 3.97Å; K280-D326 HydrophobicContact CG-CB 4Å; K280-D326 IonicContact NZ-OD2 3.27Å; K280-D326 PolarHBondContact NZ-OD2 3.18Å
281	Y	93.1	Very high	93.5	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.008	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-110.1	155.2	179.2	-69.9	-100	0	0	0	111.9	P277 I283 D286 N287 W288 Q320 D326 K328	P277-Y281 WeakPolarHBondContact O-CE2 3.26Å; P277-Y281 PolarHBondContact O-OH 3.49Å; P277-Y281 VanDerWaalsContact O-OH 3.05Å; Y281-I283 PolarHBondContact O-N 2.77Å; Y281-D286 WeakPolarHBondContact CE1-O 3.39Å; Y281-N287 CarbonylContact C-O 3.34Å; Y281-N287 VanDerWaalsContact CA-O 3.25Å; Y281-N287 WeakPolarHBondContact CA-O 3.39Å; Y281-N287 WeakPolarHBondContact CD1-O 3.17Å; Y281-W288 HydrophobicContact CD1-CE3 4.12Å; Y281-W288 HydrophobicContact CD1-CZ3 4.25Å; Y281-W288 HydrophobicContact CD2-CE3 4.26Å; Y281-W288 AromaticContact CD2-CZ3 3.98Å; Y281-W288 HydrophobicContact CD2-CZ3 3.98Å; Y281-W288 AromaticContact CE1-CE3 3.87Å; Y281-W288 HydrophobicContact CE1-CE3 3.87Å; Y281-W288 HydrophobicContact CE1-CH2 4.19Å; Y281-W288 AromaticContact CE1-CZ3 3.64Å; Y281-W288 HydrophobicContact CE1-CZ3 3.64Å; Y281-W288 AromaticContact CE2-CE3 3.98Å; Y281-W288 HydrophobicContact CE2-CE3 3.98Å; Y281-W288 HydrophobicContact CE2-CH2 4.11Å; Y281-W288 AromaticContact CE2-CZ3 3.29Å; Y281-W288 HydrophobicContact CE2-CZ3 3.29Å; Y281-W288 HydrophobicContact CG-CE3 4.33Å; Y281-W288 HydrophobicContact CG-CZ3 4.42Å; Y281-W288 AromaticContact CZ-CE3 3.81Å; Y281-W288 AromaticContact CZ-CH2 3.6Å; Y281-W288 AromaticContact CZ-CZ3 3.11Å; Y281-W288 VanDerWaalsContact OH-CH2 3.3Å; Y281-W288 WeakPolarHBondContact OH-CH2 3.42Å; Y281-W288 WeakPolarHBondContact OH-CZ3 3.27Å; Y281-Q320 PolarHBondContact OH-NE2 3.44Å; Y281-Q320 PolarHBondContact OH-OE1 3.22Å; Y281-D326 PolarHBondContact N-O 2.73Å; Y281-D326 VanDerWaalsContact O-CA 3.29Å; Y281-D326 WeakPolarHBondContact O-CA 3.29Å; Y281-D326 WeakPolarHBondContact O-CB 3.29Å; Y281-K328 HydrophobicContact CD2-CD 4.43Å; Y281-K328 HydrophobicContact CD2-CG 3.9Å; Y281-K328 HydrophobicContact CE1-CG 4.48Å; Y281-K328 HydrophobicContact CE2-CD 4.26Å; Y281-K328 HydrophobicContact CE2-CG 3.41Å; Y281-K328 VanDerWaalsContact CE2-CG 3.41Å
282	D	94.5	Very high	93.4	Very high	35 Å²	35	52 Å²	52	19%	0.187	29%	0.294	C	S	.	.			trans	-73.1	124.6	163.6	-67.4	-23.2	0	0	0	109.1	G284 T285 N287 D289 S290	D282-G284 PolarHBondContact O-N 2.83Å; D282-T285 HydrophobicContact CB-CG2 4.4Å; D282-T285 WeakPolarHBondContact CB-OG1 3.4Å; D282-T285 PolarHBondContact O-N 3.24Å; D282-T285 PolarHBondContact O-OG1 3.48Å; D282-N287 PolarHBondContact N-O 2.74Å; D282-D289 WeakPolarHBondContact OD1-CA 3.22Å; D282-S290 VanDerWaalsContact CG-OG 3.28Å; D282-S290 PolarHBondContact OD1-N 3.33Å; D282-S290 PolarHBondContact OD1-OG 3.12Å; D282-S290 VanDerWaalsContact OD2-CB 3.26Å; D282-S290 WeakPolarHBondContact OD2-CB 3.37Å; D282-S290 PolarHBondContact OD2-OG 2.95Å
283	I	88.3	Confident	93	Very high	100 Å²	100	56 Å²	56	51%	0.513	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	134.2	-176.3	-61.3	173.2	0	0	0	110.3	Y281 T285 D326	Y281-I283 PolarHBondContact O-N 2.77Å; I283-T285 VanDerWaalsContact C-N 3.31Å; I283-D326 HydrophobicContact CG1-CB 4.19Å
284	G	89.1	Confident	92.8	Very high	50 Å²	50	60.4 Å²	60.4	52%	0.515	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-3.1	-177.9	0	0	0	0	0	114.7	D282 R323	D282-G284 PolarHBondContact O-N 2.83Å; G284-R323 VanDerWaalsContact CA-O 3.31Å; G284-R323 WeakPolarHBondContact CA-O 3.32Å; G284-R323 PolarHBondContact N-O 2.8Å; G284-R323 WeakPolarHBondContact O-CD 3.46Å
285	T	94	Very high	92.7	Very high	44 Å²	44	57.3 Å²	57.3	27%	0.27	30%	0.299	S	S	.	.	S	Bend	trans	-127	178	-175.7	82.5	0	0	0	0	112.7	D282 I283 N287 K328	D282-T285 HydrophobicContact CB-CG2 4.4Å; D282-T285 WeakPolarHBondContact CB-OG1 3.4Å; D282-T285 PolarHBondContact O-N 3.24Å; D282-T285 PolarHBondContact O-OG1 3.48Å; I283-T285 VanDerWaalsContact C-N 3.31Å; T285-N287 PolarHBondContact OG1-N 3.27Å; T285-N287 VanDerWaalsContact OG1-N 3.09Å; T285-K328 PolarHBondContact O-NZ 3.31Å
286	D	93	Very high	92.7	Very high	54 Å²	54	58.9 Å²	58.9	29%	0.289	31%	0.309	S	S	.	.	S	Bend	trans	-108	12.6	167.8	-60.5	-34.5	0	0	0	111.9	Y281 R323 K328	Y281-D286 WeakPolarHBondContact CE1-O 3.39Å; D286-R323 VanDerWaalsContact CG-NE 3.32Å; D286-R323 IonicContact OD1-CZ 3.75Å; D286-R323 IonicContact OD1-NE 2.7Å; D286-R323 PolarHBondContact OD1-NE 3.48Å; D286-R323 IonicContact OD2-CZ 3.82Å; D286-R323 IonicContact OD2-NE 2.68Å; D286-R323 PolarHBondContact OD2-NE 2.55Å; D286-R323 IonicContact OD2-NH2 3.83Å; D286-R323 PolarHBondContact OD2-NH2 3.28Å; D286-K328 IonicContact OD1-NZ 2.85Å; D286-K328 PolarHBondContact OD1-NZ 3.46Å
287	N	93.9	Very high	92.7	Very high	104 Å²	104	57.3 Å²	57.3	56%	0.556	30%	0.301	S	S	*	.	S	Bend	trans	-83.8	142.1	178.4	-62.2	-26.5	0	0	0	110	Y281 D282 T285	Y281-N287 CarbonylContact C-O 3.34Å; Y281-N287 VanDerWaalsContact CA-O 3.25Å; Y281-N287 WeakPolarHBondContact CA-O 3.39Å; Y281-N287 WeakPolarHBondContact CD1-O 3.17Å; D282-N287 PolarHBondContact N-O 2.74Å; T285-N287 PolarHBondContact OG1-N 3.27Å; T285-N287 VanDerWaalsContact OG1-N 3.09Å
288	W	93.1	Very high	92.6	Very high	22 Å²	22	57.4 Å²	57.4	8%	0.083	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-64.8	155.7	170.3	-60.7	136.5	0	0	0	111.3	L245 P277 Y281 S290 P297	L245-W288 HydrophobicContact CD1-CZ2 4.21Å; P277-W288 HydrophobicContact CB-CH2 3.95Å; P277-W288 HydrophobicContact CB-CZ3 4.31Å; P277-W288 HydrophobicContact CG-CH2 4.25Å; P277-W288 WeakPolarHBondContact O-CH2 3.31Å; P277-W288 WeakPolarHBondContact O-CZ3 3.45Å; Y281-W288 HydrophobicContact CD1-CE3 4.12Å; Y281-W288 HydrophobicContact CD1-CZ3 4.25Å; Y281-W288 HydrophobicContact CD2-CE3 4.26Å; Y281-W288 AromaticContact CD2-CZ3 3.98Å; Y281-W288 HydrophobicContact CD2-CZ3 3.98Å; Y281-W288 AromaticContact CE1-CE3 3.87Å; Y281-W288 HydrophobicContact CE1-CE3 3.87Å; Y281-W288 HydrophobicContact CE1-CH2 4.19Å; Y281-W288 AromaticContact CE1-CZ3 3.64Å; Y281-W288 HydrophobicContact CE1-CZ3 3.64Å; Y281-W288 AromaticContact CE2-CE3 3.98Å; Y281-W288 HydrophobicContact CE2-CE3 3.98Å; Y281-W288 HydrophobicContact CE2-CH2 4.11Å; Y281-W288 AromaticContact CE2-CZ3 3.29Å; Y281-W288 HydrophobicContact CE2-CZ3 3.29Å; Y281-W288 HydrophobicContact CG-CE3 4.33Å; Y281-W288 HydrophobicContact CG-CZ3 4.42Å; Y281-W288 AromaticContact CZ-CE3 3.81Å; Y281-W288 AromaticContact CZ-CH2 3.6Å; Y281-W288 AromaticContact CZ-CZ3 3.11Å; Y281-W288 VanDerWaalsContact OH-CH2 3.3Å; Y281-W288 WeakPolarHBondContact OH-CH2 3.42Å; Y281-W288 WeakPolarHBondContact OH-CZ3 3.27Å; W288-S290 PolarHBondContact O-N 2.97Å; W288-S290 VanDerWaalsContact O-N 3.1Å; W288-P297 HydrophobicContact CB-CG 4.38Å; W288-P297 HydrophobicContact CD2-CB 4.16Å; W288-P297 HydrophobicContact CD2-CG 3.53Å; W288-P297 HydrophobicContact CE3-CB 3.94Å; W288-P297 HydrophobicContact CE3-CG 3.71Å; W288-P297 HydrophobicContact CG-CG 3.84Å; W288-P297 HydrophobicContact CH2-CB 4.11Å; W288-P297 HydrophobicContact CZ2-CB 4.3Å; W288-P297 HydrophobicContact CZ2-CG 4.35Å; W288-P297 HydrophobicContact CZ3-CB 3.88Å; W288-P297 HydrophobicContact CZ3-CG 4.16Å
289	D	93.7	Very high	92.8	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.011	30%	0.301	C	S	.	.			trans	-44	113.5	179.9	-179.6	30.3	0	0	0	112.5	R234 K280 D282 S291 R295	R234-D289 PolarHBondContact NH1-O 2.74Å; R234-D289 VanDerWaalsContact NH1-O 3.16Å; K280-D289 HydrophobicContact CB-CB 3.96Å; K280-D289 HydrophobicContact CD-CB 4.03Å; K280-D289 HydrophobicContact CG-CB 4.05Å; K280-D289 PolarHBondContact O-N 3.25Å; D282-D289 WeakPolarHBondContact OD1-CA 3.22Å; D289-S291 VanDerWaalsContact CG-OG 3.28Å; D289-S291 WeakPolarHBondContact OD1-CB 3.43Å; D289-S291 PolarHBondContact OD1-N 2.82Å; D289-S291 PolarHBondContact OD1-OG 3.21Å; D289-S291 PolarHBondContact OD2-OG 2.86Å; D289-R295 HydrophobicContact CB-CB 4.44Å; D289-R295 WeakPolarHBondContact OD2-CB 3.32Å; D289-R295 VanDerWaalsContact OD2-CG 3.28Å; D289-R295 WeakPolarHBondContact OD2-CG 3.46Å; D289-R295 PolarHBondContact OD2-N 3.05Å
290	S	93.8	Very high	92.8	Very high	86 Å²	86	56.4 Å²	56.4	60%	0.601	30%	0.297	S	S	*	.			trans	-100.9	3.1	174.7	68.1	0	0	0	0	112.8	D282 W288	D282-S290 VanDerWaalsContact CG-OG 3.28Å; D282-S290 PolarHBondContact OD1-N 3.33Å; D282-S290 PolarHBondContact OD1-OG 3.12Å; D282-S290 VanDerWaalsContact OD2-CB 3.26Å; D282-S290 WeakPolarHBondContact OD2-CB 3.37Å; D282-S290 PolarHBondContact OD2-OG 2.95Å; W288-S290 PolarHBondContact O-N 2.97Å; W288-S290 VanDerWaalsContact O-N 3.1Å
291	S	93.6	Very high	92.9	Very high	49 Å²	49	54.2 Å²	54.2	34%	0.343	29%	0.288	S	S	.	.	S	Bend	trans	-63.4	164.6	174.1	77.2	0	0	0	0	111.7	D289 K293 F294	D289-S291 VanDerWaalsContact CG-OG 3.28Å; D289-S291 WeakPolarHBondContact OD1-CB 3.43Å; D289-S291 PolarHBondContact OD1-N 2.82Å; D289-S291 PolarHBondContact OD1-OG 3.21Å; D289-S291 PolarHBondContact OD2-OG 2.86Å; S291-K293 PolarHBondContact O-N 3.19Å; S291-K293 PolarHBondContact OG-N 2.71Å; S291-F294 WeakPolarHBondContact O-CA 3.36Å; S291-F294 PolarHBondContact O-N 3.43Å
292	E	90.7	Very high	93	Very high	204 Å²	204	54.2 Å²	54.2	95%	0.953	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.7	175.9	-171.5	-176.3	180	0	0	113.1	F294	E292-F294 PolarHBondContact O-N 3.19Å
293	K	88.5	Confident	93	Very high	154 Å²	154	52.6 Å²	52.6	67%	0.67	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-18.1	178.3	-64.9	-175.2	-178.3	175.1	0	113.2	S291 R295	S291-K293 PolarHBondContact O-N 3.19Å; S291-K293 PolarHBondContact OG-N 2.71Å; K293-R295 VanDerWaalsContact C-N 3.26Å; K293-R295 HydrophobicContact CB-CG 4.23Å; K293-R295 PolarHBondContact O-N 3.03Å
294	F	91.2	Very high	93.4	Very high	105 Å²	105	47.8 Å²	47.8	46%	0.461	25%	0.254	S	S	.	.			trans	39.4	52.1	173.2	-157.2	-117.6	0	0	0	113.4	R234 S291 E292	R234-F294 HydrophobicContact CB-CD1 4.1Å; R234-F294 HydrophobicContact CB-CE1 3.82Å; R234-F294 HydrophobicContact CG-CD1 3.76Å; R234-F294 HydrophobicContact CG-CE1 3.27Å; R234-F294 HydrophobicContact CG-CZ 3.77Å; S291-F294 WeakPolarHBondContact O-CA 3.36Å; S291-F294 PolarHBondContact O-N 3.43Å; E292-F294 PolarHBondContact O-N 3.19Å
295	R	90.9	Very high	93.6	Very high	84 Å²	84	46.3 Å²	46.3	32%	0.317	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-63.1	140.9	-169.2	-65	-64.4	-163.4	177.7	1.9	111	R234 Y279 K280 D289 K293 P297	R234-R295 PolarHBondContact NH1-O 3.16Å; Y279-R295 HydrophobicContact CE1-CB 4.5Å; K280-R295 HydrophobicContact CB-CB 4.25Å; K280-R295 HydrophobicContact CD-CB 4.25Å; K280-R295 HydrophobicContact CD-CG 3.97Å; D289-R295 HydrophobicContact CB-CB 4.44Å; D289-R295 WeakPolarHBondContact OD2-CB 3.32Å; D289-R295 VanDerWaalsContact OD2-CG 3.28Å; D289-R295 WeakPolarHBondContact OD2-CG 3.46Å; D289-R295 PolarHBondContact OD2-N 3.05Å; K293-R295 VanDerWaalsContact C-N 3.26Å; K293-R295 HydrophobicContact CB-CG 4.23Å; K293-R295 PolarHBondContact O-N 3.03Å; R295-P297 WeakPolarHBondContact O-CD 3.39Å
296	V	94	Very high	93.7	Very high	42 Å²	42	45.7 Å²	45.7	26%	0.255	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-68	128.4	171.1	-178	0	0	0	0	109.2	L232 R234 L237	L232-V296 HydrophobicContact CD2-CG1 4.31Å; R234-V296 HydrophobicContact CB-CG2 4.18Å; L237-V296 HydrophobicContact CD1-CG1 3.52Å
297	P	95	Very high	93.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-55.5	140.9	173.3	-28.1	32.3	0	0	0	113.3	L229 L237 P277 Y279 W288 R295	L229-P297 WeakPolarHBondContact CD1-O 3.2Å; L237-P297 HydrophobicContact CD1-CB 4.3Å; L237-P297 HydrophobicContact CD1-CG 4.31Å; P277-P297 HydrophobicContact CB-CB 3.75Å; P277-P297 HydrophobicContact CG-CB 4.09Å; Y279-P297 CarbonylContact O-C 3.6Å; Y279-P297 WeakPolarHBondContact O-CA 3.39Å; W288-P297 HydrophobicContact CB-CG 4.38Å; W288-P297 HydrophobicContact CD2-CB 4.16Å; W288-P297 HydrophobicContact CD2-CG 3.53Å; W288-P297 HydrophobicContact CE3-CB 3.94Å; W288-P297 HydrophobicContact CE3-CG 3.71Å; W288-P297 HydrophobicContact CG-CG 3.84Å; W288-P297 HydrophobicContact CH2-CB 4.11Å; W288-P297 HydrophobicContact CZ2-CB 4.3Å; W288-P297 HydrophobicContact CZ2-CG 4.35Å; W288-P297 HydrophobicContact CZ3-CB 3.88Å; W288-P297 HydrophobicContact CZ3-CG 4.16Å; R295-P297 WeakPolarHBondContact O-CD 3.39Å
298	A	94.9	Very high	93	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-148.3	157.3	-178.4	0	0	0	0	0	113.1	T278 Y279 C300	T278-A298 PolarHBondContact N-O 2.9Å; T278-A298 VanDerWaalsContact N-O 3.11Å; Y279-A298 HydrophobicContact CD1-CB 4.45Å; Y279-A298 PolarHBondContact N-O 2.88Å; Y279-A298 VanDerWaalsContact N-O 3.12Å; Y279-A298 PolarHBondContact O-N 2.92Å; A298-C300 VanDerWaalsContact C-N 3.32Å; A298-C300 PolarHBondContact O-N 2.92Å
299	W	96.5	Very high	92.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.			trans	-88.1	71.7	168.8	-64.8	-86.8	0	0	0	109.8	L229 H246 F249 L250 I273 F275 L276 P277 D301 R302	L229-W299 HydrophobicContact CD1-CE3 4.49Å; L229-W299 HydrophobicContact CD1-CZ3 3.96Å; L229-W299 HydrophobicContact CD2-CE3 3.94Å; L229-W299 HydrophobicContact CD2-CZ3 3.81Å; L229-W299 HydrophobicContact CG-CZ3 4.41Å; H246-W299 HydrophobicContact CB-CH2 4.37Å; H246-W299 HydrophobicContact CB-CZ2 3.81Å; F249-W299 HydrophobicContact CB-CH2 4.41Å; F249-W299 HydrophobicContact CB-CZ3 4.41Å; L250-W299 HydrophobicContact CD2-CD2 3.84Å; L250-W299 HydrophobicContact CD2-CE3 3.54Å; L250-W299 HydrophobicContact CD2-CG 4.49Å; L250-W299 HydrophobicContact CD2-CH2 4.23Å; L250-W299 HydrophobicContact CD2-CZ2 4.46Å; L250-W299 HydrophobicContact CD2-CZ3 3.76Å; L250-W299 HydrophobicContact CG-CE3 4.29Å; L250-W299 HydrophobicContact CG-CH2 4.09Å; L250-W299 HydrophobicContact CG-CZ2 4.44Å; L250-W299 HydrophobicContact CG-CZ3 3.99Å; I273-W299 HydrophobicContact CG2-CD2 4.42Å; I273-W299 HydrophobicContact CG2-CG 4.24Å; I273-W299 VanDerWaalsContact CG2-NE1 3.31Å; F275-W299 AromaticContact CD2-CD1 3.98Å; F275-W299 AromaticContact CE2-CD1 3.66Å; F275-W299 PolarHBondContact O-NE1 2.99Å; L276-W299 PolarHBondContact O-NE1 2.82Å; P277-W299 HydrophobicContact CB-CD2 4.46Å; P277-W299 HydrophobicContact CG-CD2 4.25Å; P277-W299 HydrophobicContact CG-CE3 4.46Å; P277-W299 HydrophobicContact CG-CH2 3.89Å; P277-W299 HydrophobicContact CG-CZ2 3.65Å; P277-W299 HydrophobicContact CG-CZ3 4.3Å; W299-D301 PolarHBondContact O-N 3.32Å; W299-R302 VanDerWaalsContact O-CD 3.25Å; W299-R302 WeakPolarHBondContact O-CD 3.28Å; W299-R302 PolarHBondContact O-NH1 2.9Å
300	C	95.2	Very high	92.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.273	C	S	.	.			trans	-69.2	-27.8	176.8	-65.6	0	0	0	0	112	D224 M225 N226 Y279 A298	D224-C300 WeakPolarHBondContact OD1-CB 3.27Å; M225-C300 PolarHBondContact N-O 2.82Å; N226-C300 PolarHBondContact N-O 2.89Å; Y279-C300 WeakPolarHBondContact CD1-SG 3.17Å; A298-C300 VanDerWaalsContact C-N 3.32Å; A298-C300 PolarHBondContact O-N 2.92Å
301	D	94.6	Very high	92	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	105.2	-165.9	-61.2	-49.4	0	0	0	111.4	V58 Y60 T278 W299 H327 V330	V58-D301 HydrophobicContact CG1-CB 3.64Å; V58-D301 VanDerWaalsContact CG1-CG 3.43Å; V58-D301 WeakPolarHBondContact CG1-OD1 3.44Å; V58-D301 WeakPolarHBondContact CG2-OD1 3.41Å; Y60-D301 WeakPolarHBondContact OH-CA 3.48Å; Y60-D301 WeakPolarHBondContact OH-CB 3.49Å; T278-D301 WeakPolarHBondContact CB-OD2 3.3Å; T278-D301 HydrophobicContact CG2-CB 4.33Å; T278-D301 WeakPolarHBondContact OG1-CB 3.49Å; T278-D301 PolarHBondContact OG1-OD2 3.41Å; W299-D301 PolarHBondContact O-N 3.32Å; D301-H327 IonicContact OD1-CE1 2.79Å; D301-H327 IonicContact OD1-ND1 3.84Å; D301-H327 PolarHBondContact OD1-ND1 2.83Å; D301-H327 IonicContact OD2-CE1 3.75Å; D301-H327 IonicContact OD2-CG 3.99Å; D301-H327 IonicContact OD2-ND1 3.33Å; D301-H327 PolarHBondContact OD2-ND1 3.1Å; D301-V330 HydrophobicContact CB-CB 4.39Å; D301-V330 HydrophobicContact CB-CG2 3.65Å
302	R	95.3	Very high	91.8	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.011	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.9	-162.7	-53.4	-61	-79.4	-87.6	-1.4	113.2	Y60 F222 G223 M225 D253 L255 E270 I273 W299 L304 Y316	Y60-R302 PolarHBondContact OH-N 2.7Å; F222-R302 CarbonylContact C-O 3.5Å; F222-R302 WeakPolarHBondContact CA-O 3.36Å; F222-R302 WeakPolarHBondContact CB-O 3.37Å; G223-R302 PolarHBondContact N-O 2.78Å; G223-R302 VanDerWaalsContact N-O 3.14Å; G223-R302 PolarHBondContact O-N 3.46Å; G223-R302 VanDerWaalsContact O-N 3.12Å; M225-R302 HydrophobicContact CE-CB 4.23Å; M225-R302 HydrophobicContact CG-CB 4.21Å; M225-R302 HydrophobicContact SD-CB 3.93Å; D253-R302 VanDerWaalsContact CG-NH1 3.35Å; D253-R302 IonicContact OD1-NH1 2.86Å; D253-R302 PolarHBondContact OD1-NH1 2.73Å; D253-R302 VanDerWaalsContact OD1-NH1 3.16Å; D253-R302 IonicContact OD2-CZ 2.97Å; D253-R302 IonicContact OD2-NH1 3.23Å; D253-R302 PolarHBondContact OD2-NH1 3.41Å; D253-R302 IonicContact OD2-NH2 2.73Å; D253-R302 PolarHBondContact OD2-NH2 2.99Å; L255-R302 HydrophobicContact CD2-CB 4.13Å; L255-R302 HydrophobicContact CD2-CG 3.87Å; E270-R302 VanDerWaalsContact CD-NH2 3.28Å; E270-R302 IonicContact OE1-CZ 2.91Å; E270-R302 IonicContact OE1-NE 3.32Å; E270-R302 PolarHBondContact OE1-NE 2.82Å; E270-R302 IonicContact OE1-NH2 3.6Å; E270-R302 PolarHBondContact OE1-NH2 2.93Å; E270-R302 IonicContact OE2-CZ 2.65Å; E270-R302 IonicContact OE2-NE 3.31Å; E270-R302 IonicContact OE2-NH2 3.16Å; E270-R302 PolarHBondContact OE2-NH2 2.93Å; I273-R302 VanDerWaalsContact CD1-CZ 3.47Å; W299-R302 VanDerWaalsContact O-CD 3.25Å; W299-R302 WeakPolarHBondContact O-CD 3.28Å; W299-R302 PolarHBondContact O-NH1 2.9Å; R302-L304 HydrophobicContact CB-CD1 3.94Å; R302-Y316 WeakPolarHBondContact CA-OH 3.36Å
303	I	94.1	Very high	91.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	116.4	174.5	-49.7	169.1	0	0	0	109.8	Y60 L62 F222 Y316 V330 A332 F334	Y60-I303 HydrophobicContact CD1-CD1 3.41Å; Y60-I303 VanDerWaalsContact CD1-CD1 3.41Å; Y60-I303 HydrophobicContact CD1-CG1 3.31Å; Y60-I303 HydrophobicContact CE1-CD1 3.88Å; Y60-I303 HydrophobicContact CE1-CG1 3.36Å; L62-I303 HydrophobicContact CD2-CG2 4.34Å; F222-I303 HydrophobicContact CB-CB 4.08Å; F222-I303 HydrophobicContact CB-CG1 3.85Å; F222-I303 HydrophobicContact CB-CG2 4.08Å; F222-I303 HydrophobicContact CD1-CG2 4.34Å; I303-Y316 HydrophobicContact CB-CE2 3.87Å; I303-Y316 HydrophobicContact CD1-CD2 3.96Å; I303-Y316 HydrophobicContact CD1-CE2 3.68Å; I303-Y316 HydrophobicContact CG1-CE2 3.79Å; I303-Y316 PolarHBondContact N-OH 3.37Å; I303-Y316 VanDerWaalsContact N-OH 3.17Å; I303-V330 HydrophobicContact CD1-CG1 4.1Å; I303-V330 HydrophobicContact CG1-CG1 4.35Å; I303-A332 HydrophobicContact CD1-CB 3.38Å; I303-A332 HydrophobicContact CG2-CB 4.34Å; I303-F334 HydrophobicContact CG2-CE2 4.08Å; I303-F334 HydrophobicContact CG2-CZ 4.17Å
304	L	96	Very high	91.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	155.2	178.3	-63.4	93.7	0	0	0	110.4	W221 M225 L255 F265 F268 K269 E270 R302	W221-L304 PolarHBondContact N-O 3.19Å; W221-L304 PolarHBondContact O-N 3.05Å; M225-L304 HydrophobicContact CE-CD1 3.3Å; M225-L304 HydrophobicContact SD-CD1 3.62Å; L255-L304 HydrophobicContact CD2-CD1 4.12Å; F265-L304 HydrophobicContact CB-CD2 4.15Å; F265-L304 HydrophobicContact CD1-CD2 4.45Å; F265-L304 HydrophobicContact CD2-CD2 4.46Å; F265-L304 HydrophobicContact CG-CD2 4.14Å; F268-L304 HydrophobicContact CB-CB 4.2Å; F268-L304 HydrophobicContact CB-CD2 4.21Å; F268-L304 HydrophobicContact CD1-CB 3.89Å; F268-L304 HydrophobicContact CG-CB 4.47Å; K269-L304 CarbonylContact O-C 3.36Å; K269-L304 WeakPolarHBondContact O-CA 3.45Å; E270-L304 HydrophobicContact CB-CD2 4.39Å; E270-L304 HydrophobicContact CB-CG 4.16Å; E270-L304 HydrophobicContact CG-CG 4.42Å; R302-L304 HydrophobicContact CB-CD1 3.94Å
305	W	94.9	Very high	91.5	Very high	19 Å²	19	37.5 Å²	37.5	7%	0.072	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	157.5	175.6	77	100.2	0	0	0	113.4	I219 F220 F268 K269 E270 V311 Q313 F334	I219-W305 CarbonylContact O-C 3.59Å; I219-W305 WeakPolarHBondContact O-CA 3.43Å; I219-W305 WeakPolarHBondContact O-CB 3.31Å; F220-W305 HydrophobicContact CD1-CB 3.68Å; F220-W305 HydrophobicContact CE1-CB 3.84Å; F220-W305 HydrophobicContact CE1-CG 4.47Å; F220-W305 HydrophobicContact CG-CB 4.44Å; F268-W305 CarbonylContact C-O 3.46Å; F268-W305 VanDerWaalsContact CA-O 3.27Å; F268-W305 WeakPolarHBondContact CA-O 3.27Å; K269-W305 HydrophobicContact CB-CD2 3.89Å; K269-W305 HydrophobicContact CB-CE3 4.11Å; K269-W305 HydrophobicContact CB-CH2 3.75Å; K269-W305 HydrophobicContact CB-CZ2 3.49Å; K269-W305 VanDerWaalsContact CB-CZ2 3.49Å; K269-W305 HydrophobicContact CB-CZ3 4.06Å; K269-W305 HydrophobicContact CD-CZ2 4.03Å; K269-W305 HydrophobicContact CG-CZ2 4.39Å; K269-W305 PolarHBondContact N-O 2.9Å; K269-W305 PolarHBondContact O-N 3.32Å; E270-W305 VanDerWaalsContact CA-CZ3 3.48Å; W305-V311 HydrophobicContact CG-CG1 4.04Å; W305-Q313 HydrophobicContact CH2-CB 3.88Å; W305-Q313 HydrophobicContact CZ2-CB 4.21Å; W305-Q313 HydrophobicContact CZ3-CB 4.32Å; W305-F334 HydrophobicContact CB-CE1 4.36Å; W305-F334 HydrophobicContact CD2-CD1 4.45Å; W305-F334 AromaticContact CD2-CE1 3.47Å; W305-F334 HydrophobicContact CD2-CE1 3.47Å; W305-F334 VanDerWaalsContact CD2-CE1 3.47Å; W305-F334 HydrophobicContact CD2-CZ 4.09Å; W305-F334 AromaticContact CE2-CE1 3.92Å; W305-F334 AromaticContact CE3-CE1 3.45Å; W305-F334 HydrophobicContact CE3-CE1 3.45Å; W305-F334 VanDerWaalsContact CE3-CE1 3.45Å; W305-F334 AromaticContact CE3-CZ 3.68Å; W305-F334 HydrophobicContact CE3-CZ 3.68Å; W305-F334 AromaticContact CG-CE1 3.87Å; W305-F334 HydrophobicContact CG-CE1 3.87Å; W305-F334 HydrophobicContact CG-CZ 4.47Å; W305-F334 HydrophobicContact CH2-CE1 4.3Å; W305-F334 HydrophobicContact CZ2-CE1 4.33Å; W305-F334 AromaticContact CZ3-CE1 3.86Å; W305-F334 HydrophobicContact CZ3-CE1 3.86Å; W305-F334 HydrophobicContact CZ3-CZ 4.14Å
306	S	95.3	Very high	91.6	Very high	31 Å²	31	34.5 Å²	34.5	22%	0.217	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.8	166.2	-178.1	0	0	0	0	109.5	I219	I219-S306 PolarHBondContact N-O 2.81Å; I219-S306 PolarHBondContact O-N 3Å
307	G	89	Confident	91.3	Very high	7 Å²	7	34.9 Å²	34.9	7%	0.072	19%	0.187	C	C	.	.			trans	169	51.3	-175.6	0	0	0	0	0	116.1	D217 G309 K310	D217-G307 WeakPolarHBondContact O-CA 2.95Å; G307-G309 VanDerWaalsContact C-N 3.29Å; G307-G309 PolarHBondContact O-N 2.9Å; G307-K310 PolarHBondContact O-N 2.97Å
308	D	83.9	Confident	91	Very high	145 Å²	145	35.2 Å²	35.2	78%	0.775	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	28.6	51.3	168.4	-162.8	27.6	0	0	0	117.2	K310	D308-K310 PolarHBondContact O-N 3.01Å
309	G	83.7	Confident	90.7	Very high	64 Å²	64	36.7 Å²	36.7	66%	0.66	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	-7	178.9	0	0	0	0	0	116.5	G307 V311	G307-G309 VanDerWaalsContact C-N 3.29Å; G307-G309 PolarHBondContact O-N 2.9Å; G309-V311 VanDerWaalsContact C-N 3.35Å
310	K	88.3	Confident	90.2	Very high	74 Å²	74	38.6 Å²	38.6	32%	0.322	21%	0.207	S	C	.	.			trans	-92.8	7.9	-177.2	-66.6	174.3	-173.1	171	0	114.2	Y218 G307 D308 L336 E337	Y218-K310 HydrophobicContact CE1-CB 3.99Å; G307-K310 PolarHBondContact O-N 2.97Å; D308-K310 PolarHBondContact O-N 3.01Å; K310-L336 WeakPolarHBondContact O-CA 3.02Å; K310-E337 HydrophobicContact CB-CB 4.27Å; K310-E337 PolarHBondContact O-N 3.16Å
311	V	87.6	Confident	89.9	Confident	11 Å²	11	42.9 Å²	42.9	7%	0.067	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.5	176.6	-178.8	0	0	0	0	108.8	Y218 F220 W305 G309 F334 E335 L336	Y218-V311 HydrophobicContact CD1-CG2 3.49Å; Y218-V311 VanDerWaalsContact CD1-CG2 3.49Å; Y218-V311 HydrophobicContact CE1-CG2 3.86Å; Y218-V311 HydrophobicContact CG-CG2 4.33Å; F220-V311 HydrophobicContact CE1-CG1 4.11Å; F220-V311 HydrophobicContact CZ-CG1 4.04Å; W305-V311 HydrophobicContact CG-CG1 4.04Å; G309-V311 VanDerWaalsContact C-N 3.35Å; V311-F334 HydrophobicContact CG1-CD1 3.58Å; V311-F334 HydrophobicContact CG1-CE1 4.22Å; V311-F334 HydrophobicContact CG1-CG 4.39Å; V311-E335 WeakPolarHBondContact CA-O 3.25Å; V311-L336 HydrophobicContact CG2-CB 4.44Å
312	R	89.6	Confident	89.3	Confident	137 Å²	137	45.7 Å²	45.7	52%	0.517	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.9	177.5	-173.2	171.7	72.2	98.6	-5.3	109.8	L314 F334 E335	R312-L314 HydrophobicContact CG-CD2 4.14Å; R312-F334 CarbonylContact O-C 3.54Å; R312-F334 VanDerWaalsContact O-CA 3.25Å; R312-F334 WeakPolarHBondContact O-CA 3.16Å; R312-E335 HydrophobicContact CB-CB 4.35Å; R312-E335 IonicContact CZ-OE2 3.16Å; R312-E335 PolarHBondContact N-O 3.47Å; R312-E335 IonicContact NE-OE2 3.67Å; R312-E335 PolarHBondContact NE-OE2 3.44Å; R312-E335 VanDerWaalsContact NH2-CD 3.27Å; R312-E335 IonicContact NH2-OE1 2.73Å; R312-E335 PolarHBondContact NH2-OE1 3.27Å; R312-E335 IonicContact NH2-OE2 2.68Å; R312-E335 PolarHBondContact NH2-OE2 2.81Å; R312-E335 PolarHBondContact O-N 2.81Å
313	Q	88.4	Confident	89	Confident	43 Å²	43	49.5 Å²	49.5	20%	0.201	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.9	173.6	-165.8	178.5	40	0	0	110	W305 L315 L333 F334	W305-Q313 HydrophobicContact CH2-CB 3.88Å; W305-Q313 HydrophobicContact CZ2-CB 4.21Å; W305-Q313 HydrophobicContact CZ3-CB 4.32Å; Q313-L315 WeakPolarHBondContact CG-O 3.4Å; Q313-L333 CarbonylContact C-O 3.58Å; Q313-F334 HydrophobicContact CB-CD1 3.79Å; Q313-F334 HydrophobicContact CB-CE1 3.59Å; Q313-F334 HydrophobicContact CB-CZ 4.34Å; Q313-F334 HydrophobicContact CG-CD1 3.97Å; Q313-F334 HydrophobicContact CG-CE1 3.58Å; Q313-F334 HydrophobicContact CG-CE2 4.35Å; Q313-F334 HydrophobicContact CG-CZ 3.82Å
314	L	86.9	Confident	88.4	Confident	61 Å²	61	55.5 Å²	55.5	32%	0.319	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-26.6	-178.4	-51.2	-173.2	0	0	0	112.9	R312 L333 E335	R312-L314 HydrophobicContact CG-CD2 4.14Å; L314-L333 HydrophobicContact CB-CB 4.03Å; L314-L333 HydrophobicContact CB-CD2 3.69Å; L314-L333 HydrophobicContact CB-CG 3.7Å; L314-L333 HydrophobicContact CD1-CD2 3.76Å; L314-L333 HydrophobicContact CD1-CG 3.82Å; L314-L333 HydrophobicContact CG-CD2 4.27Å; L314-L333 HydrophobicContact CG-CG 4.11Å; L314-L333 PolarHBondContact N-O 2.81Å; L314-E335 HydrophobicContact CD1-CB 4.24Å; L314-E335 HydrophobicContact CD2-CB 4.41Å; L314-E335 HydrophobicContact CG-CB 4.41Å
315	L	88.2	Confident	87.8	Confident	65 Å²	65	55.6 Å²	55.6	34%	0.34	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	142	179.7	-179.6	73.7	0	0	0	108.5	Q313 D317 R331 A332 L333	Q313-L315 WeakPolarHBondContact CG-O 3.4Å; L315-D317 HydrophobicContact CD1-CB 4.14Å; L315-D317 HydrophobicContact CG-CB 4.32Å; L315-R331 HydrophobicContact CD2-CG 4.13Å; L315-A332 CarbonylContact O-C 3.51Å; L315-A332 WeakPolarHBondContact O-CA 3.12Å; L315-A332 WeakPolarHBondContact O-CB 3.32Å; L315-L333 HydrophobicContact CB-CB 3.56Å; L315-L333 HydrophobicContact CD2-CB 4.49Å; L315-L333 PolarHBondContact N-O 2.83Å; L315-L333 PolarHBondContact O-N 3.23Å
316	Y	91.7	Very high	87.4	Confident	22 Å²	22	55.7 Å²	55.7	9%	0.086	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	113.3	163.4	-170.1	-152	0	0	0	109.3	E270 I273 F275 R302 I303 V330 R331 A332	E270-Y316 HydrophobicContact CG-CE1 3.87Å; E270-Y316 PolarHBondContact OE1-OH 2.88Å; I273-Y316 HydrophobicContact CD1-CE1 4.47Å; I273-Y316 HydrophobicContact CG1-CD1 4.36Å; I273-Y316 HydrophobicContact CG1-CE1 3.69Å; F275-Y316 AromaticContact CE1-CD1 3.97Å; F275-Y316 HydrophobicContact CE1-CD1 3.97Å; F275-Y316 HydrophobicContact CE1-CD2 4.08Å; F275-Y316 AromaticContact CE1-CE1 3.97Å; F275-Y316 HydrophobicContact CE1-CE1 3.97Å; F275-Y316 HydrophobicContact CE1-CE2 4.05Å; F275-Y316 HydrophobicContact CE1-CG 4.03Å; F275-Y316 AromaticContact CE1-CZ 3.98Å; F275-Y316 HydrophobicContact CZ-CD2 4.49Å; F275-Y316 HydrophobicContact CZ-CE1 4.12Å; F275-Y316 HydrophobicContact CZ-CE2 4.01Å; F275-Y316 AromaticContact CZ-CZ 3.79Å; R302-Y316 WeakPolarHBondContact CA-OH 3.36Å; I303-Y316 HydrophobicContact CB-CE2 3.87Å; I303-Y316 HydrophobicContact CD1-CD2 3.96Å; I303-Y316 HydrophobicContact CD1-CE2 3.68Å; I303-Y316 HydrophobicContact CG1-CE2 3.79Å; I303-Y316 PolarHBondContact N-OH 3.37Å; I303-Y316 VanDerWaalsContact N-OH 3.17Å; Y316-V330 HydrophobicContact CD2-CG1 4.12Å; Y316-V330 HydrophobicContact CE2-CG1 3.45Å; Y316-V330 VanDerWaalsContact CE2-CG1 3.45Å; Y316-R331 WeakPolarHBondContact CA-O 3.23Å; Y316-A332 HydrophobicContact CD2-CB 3.97Å
317	D	89.3	Confident	87.2	Confident	49 Å²	49	54.7 Å²	54.7	26%	0.262	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	157.1	-165.8	-173.5	24.1	0	0	0	112.6	L315 V330 R331	L315-D317 HydrophobicContact CD1-CB 4.14Å; L315-D317 HydrophobicContact CG-CB 4.32Å; D317-V330 CarbonylContact O-C 3.52Å; D317-V330 WeakPolarHBondContact O-CA 3.29Å; D317-R331 HydrophobicContact CB-CG 4.47Å; D317-R331 PolarHBondContact N-O 3.16Å; D317-R331 PolarHBondContact O-N 3.39Å; D317-R331 IonicContact OD2-CZ 3.29Å; D317-R331 IonicContact OD2-NE 3.41Å; D317-R331 IonicContact OD2-NH2 3.66Å; D317-R331 PolarHBondContact OD2-NH2 2.97Å
318	S	88.4	Confident	87.2	Confident	7 Å²	7	54.3 Å²	54.3	5%	0.049	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	148.8	169.9	76.1	0	0	0	0	111.6	Q320 P329	S318-Q320 PolarHBondContact O-N 3.29Å; S318-Q320 PolarHBondContact OG-NE2 2.71Å; S318-P329 CarbonylContact C-O 3.48Å; S318-P329 VanDerWaalsContact CA-O 3.26Å; S318-P329 WeakPolarHBondContact CA-O 3.29Å
319	V	87.1	Confident	87.3	Confident	33 Å²	33	47.5 Å²	47.5	20%	0.2	25%	0.25	C	S	.	.			trans	-102	75.2	-179.4	-166.6	0	0	0	0	109.9	I322 P329 R331	V319-I322 HydrophobicContact CB-CD1 4.13Å; V319-I322 HydrophobicContact CG1-CD1 3.68Å; V319-I322 HydrophobicContact CG1-CG1 3.91Å; V319-I322 PolarHBondContact O-N 2.91Å; V319-I322 VanDerWaalsContact O-N 3.16Å; V319-P329 HydrophobicContact CB-CB 4.26Å; V319-P329 HydrophobicContact CG2-CB 4.41Å; V319-P329 PolarHBondContact N-O 3.38Å; V319-R331 HydrophobicContact CG2-CG 4.29Å
320	Q	87.4	Confident	87.4	Confident	39 Å²	39	44.5 Å²	44.5	18%	0.182	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-38.1	-176.6	-67	-65.9	-45.5	0	0	115.4	Y281 S318 I322 K328	Y281-Q320 PolarHBondContact OH-NE2 3.44Å; Y281-Q320 PolarHBondContact OH-OE1 3.22Å; S318-Q320 PolarHBondContact O-N 3.29Å; S318-Q320 PolarHBondContact OG-NE2 2.71Å; Q320-I322 PolarHBondContact O-N 3.07Å; Q320-K328 PolarHBondContact O-NZ 3.05Å
321	P	89.2	Confident	87.3	Confident	91 Å²	91	45.2 Å²	45.2	59%	0.591	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.8	179.8	-26.6	36.5	0	0	0	115.3
322	I	82.1	Confident	87.2	Confident	58 Å²	58	44.7 Å²	44.7	30%	0.297	22%	0.217	S	C	.	.			trans	-83	120.6	176	-62.7	174.9	0	0	0	109	V319 Q320 L324 K328 P329	V319-I322 HydrophobicContact CB-CD1 4.13Å; V319-I322 HydrophobicContact CG1-CD1 3.68Å; V319-I322 HydrophobicContact CG1-CG1 3.91Å; V319-I322 PolarHBondContact O-N 2.91Å; V319-I322 VanDerWaalsContact O-N 3.16Å; Q320-I322 PolarHBondContact O-N 3.07Å; I322-L324 HydrophobicContact CG2-CB 4.44Å; I322-L324 HydrophobicContact CG2-CD1 4.32Å; I322-L324 HydrophobicContact CG2-CG 4.23Å; I322-K328 VanDerWaalsContact O-CD 3.31Å; I322-K328 WeakPolarHBondContact O-CD 3.3Å; I322-K328 PolarHBondContact O-NZ 2.9Å; I322-P329 HydrophobicContact CB-CG 4.02Å; I322-P329 HydrophobicContact CD1-CG 3.93Å; I322-P329 HydrophobicContact CG2-CG 3.83Å
323	R	88.3	Confident	86.9	Confident	84 Å²	84	40.1 Å²	40.1	32%	0.317	20%	0.202	S	C	.	.			trans	-121.8	18.3	-174.3	-55	-179.6	-176.6	123.7	-1.8	113.7	G284 D286 S325	G284-R323 VanDerWaalsContact CA-O 3.31Å; G284-R323 WeakPolarHBondContact CA-O 3.32Å; G284-R323 PolarHBondContact N-O 2.8Å; G284-R323 WeakPolarHBondContact O-CD 3.46Å; D286-R323 VanDerWaalsContact CG-NE 3.32Å; D286-R323 IonicContact OD1-CZ 3.75Å; D286-R323 IonicContact OD1-NE 2.7Å; D286-R323 PolarHBondContact OD1-NE 3.48Å; D286-R323 IonicContact OD2-CZ 3.82Å; D286-R323 IonicContact OD2-NE 2.68Å; D286-R323 PolarHBondContact OD2-NE 2.55Å; D286-R323 IonicContact OD2-NH2 3.83Å; D286-R323 PolarHBondContact OD2-NH2 3.28Å; R323-S325 PolarHBondContact O-N 2.91Å
324	L	80.7	Confident	86.8	Confident	125 Å²	125	38 Å²	38	65%	0.654	19%	0.192	S	C	*	.	S	Bend	trans	-73.4	-11.4	-173.8	-61.4	174.6	0	0	0	113.3	I322	I322-L324 HydrophobicContact CG2-CB 4.44Å; I322-L324 HydrophobicContact CG2-CD1 4.32Å; I322-L324 HydrophobicContact CG2-CG 4.23Å
325	S	83.5	Confident	86.6	Confident	3 Å²	3	37 Å²	37	2%	0.021	19%	0.186	C	C	.	.	S	Bend	trans	-143.5	167.5	-175.8	168	0	0	0	0	110.3	G55 G56 V57 R323 H327	G55-S325 PolarHBondContact O-OG 2.93Å; G56-S325 VanDerWaalsContact CA-OG 3.25Å; G56-S325 WeakPolarHBondContact CA-OG 3.17Å; V57-S325 VanDerWaalsContact N-CB 3.29Å; V57-S325 PolarHBondContact N-OG 2.83Å; R323-S325 PolarHBondContact O-N 2.91Å; S325-H327 PolarHBondContact O-N 2.97Å; S325-H327 PolarHBondContact OG-N 3.5Å
326	D	87.3	Confident	86.4	Confident	21 Å²	21	34.3 Å²	34.3	11%	0.112	17%	0.172	C	C	.	.	S	Bend	trans	-70.5	-4.6	165.4	61	-25.2	0	0	0	113.7	K280 Y281 I283	K280-D326 HydrophobicContact CG-CB 4Å; K280-D326 IonicContact NZ-OD2 3.27Å; K280-D326 PolarHBondContact NZ-OD2 3.18Å; Y281-D326 PolarHBondContact N-O 2.73Å; Y281-D326 VanDerWaalsContact O-CA 3.29Å; Y281-D326 WeakPolarHBondContact O-CA 3.29Å; Y281-D326 WeakPolarHBondContact O-CB 3.29Å; I283-D326 HydrophobicContact CG1-CB 4.19Å
327	H	91.6	Very high	86.2	Confident	9 Å²	9	39.3 Å²	39.3	4%	0.042	20%	0.196	C	C	.	.	S	Bend	trans	-107.8	153.9	167.1	-75	-113.5	0	0	0	112.5	V58 D224 T278 Y279 D301 S325	V58-H327 HydrophobicContact CG2-CB 3.96Å; D224-H327 IonicContact OD2-CE1 2.88Å; T278-H327 CarbonylContact O-C 3.59Å; T278-H327 VanDerWaalsContact O-CA 3.23Å; T278-H327 WeakPolarHBondContact O-CA 3.29Å; Y279-H327 AromaticContact CD2-CD2 3.66Å; Y279-H327 AromaticContact CD2-CE1 3.45Å; Y279-H327 VanDerWaalsContact CD2-CE1 3.45Å; Y279-H327 WeakPolarHBondContact CD2-CE1 3.46Å; Y279-H327 AromaticContact CD2-NE2 3.08Å; Y279-H327 WeakPolarHBondContact CD2-NE2 3.48Å; Y279-H327 AromaticContact CE2-NE2 3.54Å; Y279-H327 AromaticContact CG-CE1 3.89Å; Y279-H327 AromaticContact CG-NE2 3.97Å; D301-H327 IonicContact OD1-CE1 2.79Å; D301-H327 IonicContact OD1-ND1 3.84Å; D301-H327 PolarHBondContact OD1-ND1 2.83Å; D301-H327 IonicContact OD2-CE1 3.75Å; D301-H327 IonicContact OD2-CG 3.99Å; D301-H327 IonicContact OD2-ND1 3.33Å; D301-H327 PolarHBondContact OD2-ND1 3.1Å; S325-H327 PolarHBondContact O-N 2.97Å; S325-H327 PolarHBondContact OG-N 3.5Å
328	K	87.9	Confident	85.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.			trans	-99.9	130.1	168.1	-59.3	-61.6	-168.8	175	0	109.9	T278 Y281 T285 D286 Q320 I322	T278-K328 HydrophobicContact CG2-CB 4.33Å; T278-K328 PolarHBondContact O-N 3.4Å; Y281-K328 HydrophobicContact CD2-CD 4.43Å; Y281-K328 HydrophobicContact CD2-CG 3.9Å; Y281-K328 HydrophobicContact CE1-CG 4.48Å; Y281-K328 HydrophobicContact CE2-CD 4.26Å; Y281-K328 HydrophobicContact CE2-CG 3.41Å; Y281-K328 VanDerWaalsContact CE2-CG 3.41Å; T285-K328 PolarHBondContact O-NZ 3.31Å; D286-K328 IonicContact OD1-NZ 2.85Å; D286-K328 PolarHBondContact OD1-NZ 3.46Å; Q320-K328 PolarHBondContact O-NZ 3.05Å; I322-K328 VanDerWaalsContact O-CD 3.31Å; I322-K328 WeakPolarHBondContact O-CD 3.3Å; I322-K328 PolarHBondContact O-NZ 2.9Å
329	P	86.4	Confident	86	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.013	21%	0.206	C	C	.	.			trans	-56.9	148.3	173.7	-28.3	38	0	0	0	112.7	S59 S318 V319 I322	S59-P329 WeakPolarHBondContact O-CB 3.15Å; S318-P329 CarbonylContact C-O 3.48Å; S318-P329 VanDerWaalsContact CA-O 3.26Å; S318-P329 WeakPolarHBondContact CA-O 3.29Å; V319-P329 HydrophobicContact CB-CB 4.26Å; V319-P329 HydrophobicContact CG2-CB 4.41Å; V319-P329 PolarHBondContact N-O 3.38Å; I322-P329 HydrophobicContact CB-CG 4.02Å; I322-P329 HydrophobicContact CD1-CG 3.93Å; I322-P329 HydrophobicContact CG2-CG 3.83Å
330	V	86.2	Confident	86.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.7	179.3	174.3	0	0	0	0	108.7	S59 Y60 F275 T278 D301 I303 Y316 D317	S59-V330 CarbonylContact C-O 3.58Å; S59-V330 CarbonylContact O-C 3.5Å; S59-V330 PolarHBondContact O-N 2.81Å; S59-V330 VanDerWaalsContact O-N 3.16Å; Y60-V330 WeakPolarHBondContact CA-O 3.35Å; Y60-V330 WeakPolarHBondContact CB-O 3.25Å; Y60-V330 HydrophobicContact CD1-CB 4Å; Y60-V330 HydrophobicContact CD1-CG1 4.23Å; Y60-V330 WeakPolarHBondContact CD1-O 3.46Å; Y60-V330 HydrophobicContact CE1-CB 3.48Å; Y60-V330 VanDerWaalsContact CE1-CB 3.48Å; Y60-V330 HydrophobicContact CE1-CG1 3.75Å; Y60-V330 WeakPolarHBondContact CE1-O 3.48Å; F275-V330 HydrophobicContact CE2-CG1 4.49Å; F275-V330 HydrophobicContact CE2-CG2 4.17Å; F275-V330 HydrophobicContact CZ-CG1 4.04Å; T278-V330 HydrophobicContact CG2-CG2 3.39Å; D301-V330 HydrophobicContact CB-CB 4.39Å; D301-V330 HydrophobicContact CB-CG2 3.65Å; I303-V330 HydrophobicContact CD1-CG1 4.1Å; I303-V330 HydrophobicContact CG1-CG1 4.35Å; Y316-V330 HydrophobicContact CD2-CG1 4.12Å; Y316-V330 HydrophobicContact CE2-CG1 3.45Å; Y316-V330 VanDerWaalsContact CE2-CG1 3.45Å; D317-V330 CarbonylContact O-C 3.52Å; D317-V330 WeakPolarHBondContact O-CA 3.29Å
331	R	85.8	Confident	86.2	Confident	89 Å²	89	45.4 Å²	45.4	34%	0.336	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.7	-177.3	61.3	-179.9	176.8	-179.8	0.3	110.9	I61 L315 Y316 D317 V319	I61-R331 HydrophobicContact CB-CB 4.25Å; L315-R331 HydrophobicContact CD2-CG 4.13Å; Y316-R331 WeakPolarHBondContact CA-O 3.23Å; D317-R331 HydrophobicContact CB-CG 4.47Å; D317-R331 PolarHBondContact N-O 3.16Å; D317-R331 PolarHBondContact O-N 3.39Å; D317-R331 IonicContact OD2-CZ 3.29Å; D317-R331 IonicContact OD2-NE 3.41Å; D317-R331 IonicContact OD2-NH2 3.66Å; D317-R331 PolarHBondContact OD2-NH2 2.97Å; V319-R331 HydrophobicContact CG2-CG 4.29Å
332	A	84.7	Confident	86.3	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	135.6	169.7	0	0	0	0	0	113.1	I61 L62 I303 L315 Y316 F334	I61-A332 CarbonylContact C-O 3.59Å; I61-A332 CarbonylContact O-C 3.55Å; I61-A332 VanDerWaalsContact O-C 3.3Å; I61-A332 PolarHBondContact O-N 2.96Å; L62-A332 WeakPolarHBondContact CA-O 3.36Å; I303-A332 HydrophobicContact CD1-CB 3.38Å; I303-A332 HydrophobicContact CG2-CB 4.34Å; L315-A332 CarbonylContact O-C 3.51Å; L315-A332 WeakPolarHBondContact O-CA 3.12Å; L315-A332 WeakPolarHBondContact O-CB 3.32Å; Y316-A332 HydrophobicContact CD2-CB 3.97Å; A332-F334 HydrophobicContact CB-CD2 4.08Å; A332-F334 HydrophobicContact CB-CE2 3.38Å; A332-F334 HydrophobicContact CB-CZ 4.07Å
333	L	83.2	Confident	86.6	Confident	40 Å²	40	48.5 Å²	48.5	21%	0.209	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.6	174	177.9	67.9	0	0	0	108.1	Q63 Q313 L314 L315	Q63-L333 HydrophobicContact CB-CD1 3.15Å; Q63-L333 HydrophobicContact CG-CD1 3.15Å; Q63-L333 VanDerWaalsContact O-CD1 3.29Å; Q63-L333 WeakPolarHBondContact O-CD1 3.37Å; Q313-L333 CarbonylContact C-O 3.58Å; L314-L333 HydrophobicContact CB-CB 4.03Å; L314-L333 HydrophobicContact CB-CD2 3.69Å; L314-L333 HydrophobicContact CB-CG 3.7Å; L314-L333 HydrophobicContact CD1-CD2 3.76Å; L314-L333 HydrophobicContact CD1-CG 3.82Å; L314-L333 HydrophobicContact CG-CD2 4.27Å; L314-L333 HydrophobicContact CG-CG 4.11Å; L314-L333 PolarHBondContact N-O 2.81Å; L315-L333 HydrophobicContact CB-CB 3.56Å; L315-L333 HydrophobicContact CD2-CB 4.49Å; L315-L333 PolarHBondContact N-O 2.83Å; L315-L333 PolarHBondContact O-N 3.23Å
334	F	86.7	Confident	86.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	166.1	178.9	-70.9	-90.4	0	0	0	110.5	L62 Q63 L64 R65 F220 I303 W305 V311 R312 Q313 A332	L62-F334 HydrophobicContact CD2-CD2 3.09Å; L62-F334 HydrophobicContact CD2-CE2 3.05Å; L62-F334 HydrophobicContact CD2-CG 4.3Å; L62-F334 HydrophobicContact CD2-CZ 4.26Å; Q63-F334 CarbonylContact C-O 3.59Å; Q63-F334 CarbonylContact O-C 3.58Å; Q63-F334 WeakPolarHBondContact O-CA 3.42Å; Q63-F334 PolarHBondContact O-N 3Å; L64-F334 WeakPolarHBondContact CA-O 3.5Å; L64-F334 HydrophobicContact CD2-CB 3.28Å; L64-F334 HydrophobicContact CD2-CG 4.45Å; L64-F334 HydrophobicContact CG-CB 4.35Å; R65-F334 PolarHBondContact N-O 3.32Å; F220-F334 HydrophobicContact CD1-CD2 4.46Å; F220-F334 HydrophobicContact CD1-CE2 4.3Å; F220-F334 HydrophobicContact CD1-CZ 4.39Å; F220-F334 HydrophobicContact CE1-CB 4.35Å; F220-F334 AromaticContact CE1-CD1 3.91Å; F220-F334 HydrophobicContact CE1-CD1 3.91Å; F220-F334 AromaticContact CE1-CD2 3.97Å; F220-F334 HydrophobicContact CE1-CD2 3.97Å; F220-F334 HydrophobicContact CE1-CE1 4.11Å; F220-F334 HydrophobicContact CE1-CE2 4.16Å; F220-F334 AromaticContact CE1-CG 3.81Å; F220-F334 HydrophobicContact CE1-CG 3.81Å; F220-F334 HydrophobicContact CE1-CZ 4.22Å; I303-F334 HydrophobicContact CG2-CE2 4.08Å; I303-F334 HydrophobicContact CG2-CZ 4.17Å; W305-F334 HydrophobicContact CB-CE1 4.36Å; W305-F334 HydrophobicContact CD2-CD1 4.45Å; W305-F334 AromaticContact CD2-CE1 3.47Å; W305-F334 HydrophobicContact CD2-CE1 3.47Å; W305-F334 VanDerWaalsContact CD2-CE1 3.47Å; W305-F334 HydrophobicContact CD2-CZ 4.09Å; W305-F334 AromaticContact CE2-CE1 3.92Å; W305-F334 AromaticContact CE3-CE1 3.45Å; W305-F334 HydrophobicContact CE3-CE1 3.45Å; W305-F334 VanDerWaalsContact CE3-CE1 3.45Å; W305-F334 AromaticContact CE3-CZ 3.68Å; W305-F334 HydrophobicContact CE3-CZ 3.68Å; W305-F334 AromaticContact CG-CE1 3.87Å; W305-F334 HydrophobicContact CG-CE1 3.87Å; W305-F334 HydrophobicContact CG-CZ 4.47Å; W305-F334 HydrophobicContact CH2-CE1 4.3Å; W305-F334 HydrophobicContact CZ2-CE1 4.33Å; W305-F334 AromaticContact CZ3-CE1 3.86Å; W305-F334 HydrophobicContact CZ3-CE1 3.86Å; W305-F334 HydrophobicContact CZ3-CZ 4.14Å; V311-F334 HydrophobicContact CG1-CD1 3.58Å; V311-F334 HydrophobicContact CG1-CE1 4.22Å; V311-F334 HydrophobicContact CG1-CG 4.39Å; R312-F334 CarbonylContact O-C 3.54Å; R312-F334 VanDerWaalsContact O-CA 3.25Å; R312-F334 WeakPolarHBondContact O-CA 3.16Å; Q313-F334 HydrophobicContact CB-CD1 3.79Å; Q313-F334 HydrophobicContact CB-CE1 3.59Å; Q313-F334 HydrophobicContact CB-CZ 4.34Å; Q313-F334 HydrophobicContact CG-CD1 3.97Å; Q313-F334 HydrophobicContact CG-CE1 3.58Å; Q313-F334 HydrophobicContact CG-CE2 4.35Å; Q313-F334 HydrophobicContact CG-CZ 3.82Å; A332-F334 HydrophobicContact CB-CD2 4.08Å; A332-F334 HydrophobicContact CB-CE2 3.38Å; A332-F334 HydrophobicContact CB-CZ 4.07Å
335	E	83.5	Confident	87.4	Confident	38 Å²	38	53 Å²	53	18%	0.178	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.2	169.2	-176.3	174.4	-97.5	0	0	105.7	R65 V311 R312 L314	R65-E335 HydrophobicContact CB-CB 4.38Å; R65-E335 HydrophobicContact CB-CG 4.08Å; R65-E335 WeakPolarHBondContact O-CG 3.35Å; V311-E335 WeakPolarHBondContact CA-O 3.25Å; R312-E335 HydrophobicContact CB-CB 4.35Å; R312-E335 IonicContact CZ-OE2 3.16Å; R312-E335 PolarHBondContact N-O 3.47Å; R312-E335 IonicContact NE-OE2 3.67Å; R312-E335 PolarHBondContact NE-OE2 3.44Å; R312-E335 VanDerWaalsContact NH2-CD 3.27Å; R312-E335 IonicContact NH2-OE1 2.73Å; R312-E335 PolarHBondContact NH2-OE1 3.27Å; R312-E335 IonicContact NH2-OE2 2.68Å; R312-E335 PolarHBondContact NH2-OE2 2.81Å; R312-E335 PolarHBondContact O-N 2.81Å; L314-E335 HydrophobicContact CD1-CB 4.24Å; L314-E335 HydrophobicContact CD2-CB 4.41Å; L314-E335 HydrophobicContact CG-CB 4.41Å
336	L	84.2	Confident	87.9	Confident	9 Å²	9	59.6 Å²	59.6	5%	0.047	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.2	179.3	63.8	75.5	0	0	0	111.1	L64 R65 Y218 F220 K310 V311 A338	L64-L336 HydrophobicContact CB-CD2 4.39Å; L64-L336 HydrophobicContact CB-CG 4.25Å; L64-L336 HydrophobicContact CD1-CD2 3.37Å; L64-L336 HydrophobicContact CD1-CG 4.13Å; L64-L336 HydrophobicContact CD2-CB 4.04Å; L64-L336 HydrophobicContact CD2-CD2 3.54Å; L64-L336 HydrophobicContact CD2-CG 3.69Å; L64-L336 HydrophobicContact CG-CD2 3.92Å; L64-L336 HydrophobicContact CG-CG 4.22Å; R65-L336 PolarHBondContact O-N 3.29Å; Y218-L336 HydrophobicContact CD2-CD2 4.19Å; Y218-L336 HydrophobicContact CE2-CD1 4.47Å; F220-L336 HydrophobicContact CE2-CD2 4.48Å; K310-L336 WeakPolarHBondContact O-CA 3.02Å; V311-L336 HydrophobicContact CG2-CB 4.44Å; L336-A338 HydrophobicContact CD1-CB 4.07Å
337	E	87.3	Confident	88.2	Confident	127 Å²	127	64.7 Å²	64.7	59%	0.593	30%	0.304	S	S	*	.			trans	-92.1	104.4	173.9	-63.7	178.3	-168.3	0	0	109.1	Y218 K310	Y218-E337 PolarHBondContact OH-O 3.26Å; K310-E337 HydrophobicContact CB-CB 4.27Å; K310-E337 PolarHBondContact O-N 3.16Å
338	A	83.3	Confident	88.4	Confident	15 Å²	15	68.9 Å²	68.9	12%	0.124	33%	0.33	C	S	.	.			trans	-83.6	140.4	176.4	0	0	0	0	0	110.7	F168 L336	F168-A338 HydrophobicContact CD2-CB 3.61Å; F168-A338 HydrophobicContact CE2-CB 4.32Å; L336-A338 HydrophobicContact CD1-CB 4.07Å
339	K	90.2	Very high	88.8	Confident	91 Å²	91	73.8 Å²	73.8	40%	0.396	36%	0.36	S	S	.	.			trans	-72.5	137.8	170	-63	166.4	-171.8	162.1	0	108.1	F168 D169 S170 D217	F168-K339 VanDerWaalsContact CB-O 3.25Å; F168-K339 WeakPolarHBondContact CB-O 3.44Å; D169-K339 WeakPolarHBondContact CA-O 3.37Å; D169-K339 HydrophobicContact CB-CB 4.07Å; D169-K339 VanDerWaalsContact CB-O 3.29Å; D169-K339 WeakPolarHBondContact CB-O 3.36Å; D169-K339 PolarHBondContact N-O 3.08Å; S170-K339 PolarHBondContact OG-N 2.94Å; D217-K339 IonicContact OD1-NZ 3.37Å; D217-K339 PolarHBondContact OD1-NZ 3.25Å; D217-K339 IonicContact OD2-NZ 2.67Å
340	V	88.5	Confident	89.1	Confident	95 Å²	95	78.6 Å²	78.6	58%	0.576	38%	0.381	S	S	*	.			trans	-130.7	120.4	170.4	-175	0	0	0	0	107.8	F168 D342	F168-V340 HydrophobicContact CB-CG2 3.95Å; F168-V340 HydrophobicContact CD1-CG2 4.29Å; F168-V340 HydrophobicContact CD2-CG2 4.35Å; F168-V340 HydrophobicContact CG-CG2 3.97Å; V340-D342 PolarHBondContact O-N 3.47Å
341	V	89.2	Confident	89.5	Confident	56 Å²	56	82.4 Å²	82.4	34%	0.339	40%	0.399	S	S	.	.			trans	-79	119	-179.9	174.8	0	0	0	0	109.8	D169 H343 Y346	D169-V341 HydrophobicContact CB-CG2 3.92Å; D169-V341 WeakPolarHBondContact OD2-CB 3.38Å; D169-V341 WeakPolarHBondContact OD2-CG2 3.47Å; D169-V341 PolarHBondContact OD2-N 2.87Å; V341-H343 PolarHBondContact O-CE1 3.5Å; V341-H343 PolarHBondContact O-N 3.33Å; V341-H343 PolarHBondContact O-ND1 3.37Å; V341-Y346 HydrophobicContact CG1-CD2 4.29Å; V341-Y346 HydrophobicContact CG1-CG 4.35Å
342	D	91.2	Very high	89.9	Confident	71 Å²	71	81.8 Å²	81.8	38%	0.38	41%	0.408	S	S	.	.			trans	-71.1	107	167	-179.2	-29.3	0	0	0	109.1	V340 Q344 K345 Y346	V340-D342 PolarHBondContact O-N 3.47Å; D342-Q344 VanDerWaalsContact C-N 3.28Å; D342-Q344 PolarHBondContact O-N 2.84Å; D342-Q344 WeakPolarHBondContact OD1-CB 3.39Å; D342-Q344 PolarHBondContact OD1-N 2.96Å; D342-K345 HydrophobicContact CB-CB 4.1Å; D342-K345 HydrophobicContact CB-CD 4.12Å; D342-K345 HydrophobicContact CB-CG 4.28Å; D342-K345 PolarHBondContact O-N 3.2Å; D342-K345 PolarHBondContact OD1-N 3.18Å; D342-K345 VanDerWaalsContact OD2-CD 3.24Å; D342-K345 WeakPolarHBondContact OD2-CD 3.48Å; D342-K345 WeakPolarHBondContact OD2-CE 3.48Å; D342-K345 WeakPolarHBondContact OD2-CG 3.24Å; D342-K345 IonicContact OD2-NZ 3.76Å; D342-K345 PolarHBondContact OD2-NZ 3.33Å; D342-Y346 WeakPolarHBondContact O-CB 3.19Å; D342-Y346 PolarHBondContact O-N 3.14Å
343	H	89.2	Confident	90.4	Very high	142 Å²	142	84.6 Å²	84.6	66%	0.657	43%	0.431	S	S	*	.	H	α-helix	trans	-68	-28.2	-173.4	-72.3	52.2	0	0	0	112.6	V341 K347	V341-H343 PolarHBondContact O-CE1 3.5Å; V341-H343 PolarHBondContact O-N 3.33Å; V341-H343 PolarHBondContact O-ND1 3.37Å; H343-K347 WeakPolarHBondContact O-CB 3.43Å; H343-K347 PolarHBondContact O-N 2.88Å; H343-K347 VanDerWaalsContact O-N 3.1Å
344	Q	92.1	Very high	90.8	Very high	163 Å²	163	86.8 Å²	86.8	76%	0.762	44%	0.442	S	S	*	.	H	α-helix	trans	-70.8	-46.7	176.3	-66.9	-177.2	-4.8	0	0	110.1	D342 K347 V348	D342-Q344 VanDerWaalsContact C-N 3.28Å; D342-Q344 PolarHBondContact O-N 2.84Å; D342-Q344 WeakPolarHBondContact OD1-CB 3.39Å; D342-Q344 PolarHBondContact OD1-N 2.96Å; Q344-K347 PolarHBondContact O-N 3.28Å; Q344-V348 WeakPolarHBondContact O-CG2 3.33Å; Q344-V348 PolarHBondContact O-N 3.04Å
345	K	94.3	Very high	91.1	Very high	142 Å²	142	93.6 Å²	93.6	62%	0.617	47%	0.472	S	S	*	.	H	α-helix	trans	-64.7	-41	175.5	-69.6	178.6	-171.3	160.9	0	112.3	D342 K347 V348 V349	D342-K345 HydrophobicContact CB-CB 4.1Å; D342-K345 HydrophobicContact CB-CD 4.12Å; D342-K345 HydrophobicContact CB-CG 4.28Å; D342-K345 PolarHBondContact O-N 3.2Å; D342-K345 PolarHBondContact OD1-N 3.18Å; D342-K345 VanDerWaalsContact OD2-CD 3.24Å; D342-K345 WeakPolarHBondContact OD2-CD 3.48Å; D342-K345 WeakPolarHBondContact OD2-CE 3.48Å; D342-K345 WeakPolarHBondContact OD2-CG 3.24Å; D342-K345 IonicContact OD2-NZ 3.76Å; D342-K345 PolarHBondContact OD2-NZ 3.33Å; K345-K347 VanDerWaalsContact C-N 3.33Å; K345-K347 PolarHBondContact O-N 3.28Å; K345-V348 PolarHBondContact O-N 3.49Å; K345-V349 WeakPolarHBondContact O-CG2 3.5Å; K345-V349 PolarHBondContact O-N 3.28Å
346	Y	93	Very high	91.5	Very high	141 Å²	141	95.6 Å²	95.6	55%	0.553	48%	0.481	S	S	*	.	H	α-helix	trans	-56	-48.1	175.9	177	-90.5	0	0	0	111.3	V341 D342 V348 V349 F350	V341-Y346 HydrophobicContact CG1-CD2 4.29Å; V341-Y346 HydrophobicContact CG1-CG 4.35Å; D342-Y346 WeakPolarHBondContact O-CB 3.19Å; D342-Y346 PolarHBondContact O-N 3.14Å; Y346-V348 PolarHBondContact O-N 3.42Å; Y346-V349 PolarHBondContact O-N 3.22Å; Y346-F350 HydrophobicContact CE1-CB 4.35Å; Y346-F350 WeakPolarHBondContact O-CB 3.29Å; Y346-F350 PolarHBondContact O-N 3.1Å
347	K	93.2	Very high	91.8	Very high	127 Å²	127	97.9 Å²	97.9	55%	0.552	50%	0.498	S	S	*	.	H	α-helix	trans	-58.8	-45.4	179	-175.6	177.9	174.7	-180	0	112	H343 Q344 K345 V349 F350 E351	H343-K347 WeakPolarHBondContact O-CB 3.43Å; H343-K347 PolarHBondContact O-N 2.88Å; H343-K347 VanDerWaalsContact O-N 3.1Å; Q344-K347 PolarHBondContact O-N 3.28Å; K345-K347 VanDerWaalsContact C-N 3.33Å; K345-K347 PolarHBondContact O-N 3.28Å; K347-V349 PolarHBondContact O-N 3.43Å; K347-F350 PolarHBondContact O-N 3.04Å; K347-E351 WeakPolarHBondContact CE-OE1 3.42Å; K347-E351 IonicContact NZ-OE1 3.49Å; K347-E351 WeakPolarHBondContact O-CB 3.45Å; K347-E351 WeakPolarHBondContact O-CG 3.45Å; K347-E351 PolarHBondContact O-N 3.03Å
348	V	95.9	Very high	91.8	Very high	98 Å²	98	96 Å²	96	59%	0.594	49%	0.492	S	S	*	.	H	α-helix	trans	-60.9	-46.2	178.3	173	0	0	0	0	111.6	Q344 K345 Y346 S352	Q344-V348 WeakPolarHBondContact O-CG2 3.33Å; Q344-V348 PolarHBondContact O-N 3.04Å; K345-V348 PolarHBondContact O-N 3.49Å; Y346-V348 PolarHBondContact O-N 3.42Å; V348-S352 WeakPolarHBondContact O-CB 3.48Å; V348-S352 PolarHBondContact O-N 2.97Å
349	V	95.9	Very high	92.1	Very high	102 Å²	102	100.3 Å²	100.3	62%	0.618	51%	0.505	S	S	*	.	H	α-helix	trans	-64.4	-42.8	178.3	174	0	0	0	0	110.9	K345 Y346 K347 S352 A353	K345-V349 WeakPolarHBondContact O-CG2 3.5Å; K345-V349 PolarHBondContact O-N 3.28Å; Y346-V349 PolarHBondContact O-N 3.22Å; K347-V349 PolarHBondContact O-N 3.43Å; V349-S352 WeakPolarHBondContact O-CB 3.36Å; V349-S352 PolarHBondContact O-N 3.38Å; V349-A353 PolarHBondContact O-N 2.68Å
350	F	93.5	Very high	91.8	Very high	103 Å²	103	99.3 Å²	99.3	45%	0.452	50%	0.504	S	S	.	.	H	α-helix	trans	-62.3	-47	178.6	-177.2	-101.4	0	0	0	112.3	Y346 K347 S352 A353 L354	Y346-F350 HydrophobicContact CE1-CB 4.35Å; Y346-F350 WeakPolarHBondContact O-CB 3.29Å; Y346-F350 PolarHBondContact O-N 3.1Å; K347-F350 PolarHBondContact O-N 3.04Å; F350-S352 VanDerWaalsContact C-N 3.3Å; F350-S352 PolarHBondContact O-N 2.73Å; F350-A353 PolarHBondContact O-N 2.7Å; F350-L354 HydrophobicContact CD1-CD1 3.92Å; F350-L354 HydrophobicContact CE1-CD1 3.41Å; F350-L354 VanDerWaalsContact CE1-CD1 3.41Å; F350-L354 HydrophobicContact CE1-CG 4.19Å; F350-L354 HydrophobicContact CZ-CD1 3.93Å; F350-L354 HydrophobicContact CZ-CG 4.32Å; F350-L354 PolarHBondContact O-N 3.29Å
351	E	94.3	Very high	91.7	Very high	81 Å²	81	101 Å²	101	38%	0.379	51%	0.505	S	S	.	.	H	α-helix	trans	-62	-37.6	175.4	-73.6	176.5	-175.7	0	0	112.2	K347 L354 K355	K347-E351 WeakPolarHBondContact CE-OE1 3.42Å; K347-E351 IonicContact NZ-OE1 3.49Å; K347-E351 WeakPolarHBondContact O-CB 3.45Å; K347-E351 WeakPolarHBondContact O-CG 3.45Å; K347-E351 PolarHBondContact O-N 3.03Å; E351-L354 PolarHBondContact O-N 3.34Å; E351-K355 WeakPolarHBondContact O-CG 3.49Å; E351-K355 PolarHBondContact O-N 2.79Å
352	S	94.6	Very high	91.4	Very high	75 Å²	75	103 Å²	103	52%	0.524	51%	0.514	S	S	.	.	H	α-helix	trans	-64.5	-39.8	174.6	-171	0	0	0	0	112.1	V348 V349 F350 K355 E356	V348-S352 WeakPolarHBondContact O-CB 3.48Å; V348-S352 PolarHBondContact O-N 2.97Å; V349-S352 WeakPolarHBondContact O-CB 3.36Å; V349-S352 PolarHBondContact O-N 3.38Å; F350-S352 VanDerWaalsContact C-N 3.3Å; F350-S352 PolarHBondContact O-N 2.73Å; S352-K355 PolarHBondContact O-N 3.33Å; S352-E356 PolarHBondContact O-N 3.29Å
353	A	94.6	Very high	91	Very high	60 Å²	60	101.8 Å²	101.8	50%	0.496	51%	0.506	S	S	.	.	H	α-helix	trans	-66.7	-40.9	177.9	0	0	0	0	0	111.8	V349 F350 E356 S357	V349-A353 PolarHBondContact O-N 2.68Å; F350-A353 PolarHBondContact O-N 2.7Å; A353-E356 PolarHBondContact O-N 3.08Å; A353-S357 PolarHBondContact O-N 3.11Å
354	L	92.4	Very high	90.9	Very high	86 Å²	86	102 Å²	102	45%	0.45	50%	0.502	S	S	.	.	H	α-helix	trans	-60.8	-47.8	174.2	-78.2	172.6	0	0	0	111.9	F350 E351 E356 S357 D358	F350-L354 HydrophobicContact CD1-CD1 3.92Å; F350-L354 HydrophobicContact CE1-CD1 3.41Å; F350-L354 VanDerWaalsContact CE1-CD1 3.41Å; F350-L354 HydrophobicContact CE1-CG 4.19Å; F350-L354 HydrophobicContact CZ-CD1 3.93Å; F350-L354 HydrophobicContact CZ-CG 4.32Å; F350-L354 PolarHBondContact O-N 3.29Å; E351-L354 PolarHBondContact O-N 3.34Å; L354-E356 VanDerWaalsContact C-N 3.25Å; L354-E356 PolarHBondContact O-N 3.32Å; L354-S357 WeakPolarHBondContact O-CA 3.48Å; L354-S357 VanDerWaalsContact O-CB 3.3Å; L354-S357 WeakPolarHBondContact O-CB 3.44Å; L354-S357 PolarHBondContact O-N 3.47Å; L354-D358 PolarHBondContact O-N 3.3Å
355	K	92.4	Very high	90.8	Very high	143 Å²	143	97.9 Å²	97.9	62%	0.622	48%	0.484	S	S	*	.	H	α-helix	trans	-58.5	-39.1	176.7	-73.7	172.3	-176.7	172.4	0	112.4	E351 S352 R359	E351-K355 WeakPolarHBondContact O-CG 3.49Å; E351-K355 PolarHBondContact O-N 2.79Å; S352-K355 PolarHBondContact O-N 3.33Å; K355-R359 WeakPolarHBondContact O-CB 3.33Å; K355-R359 PolarHBondContact O-N 3.17Å
356	E	92.2	Very high	90.8	Very high	81 Å²	81	92 Å²	92	38%	0.379	46%	0.46	S	S	.	.	H	α-helix	trans	-67.6	-37.8	176.5	-176.4	58.8	-166	0	0	111.8	S352 A353 L354 R359 L360	S352-E356 PolarHBondContact O-N 3.29Å; A353-E356 PolarHBondContact O-N 3.08Å; L354-E356 VanDerWaalsContact C-N 3.25Å; L354-E356 PolarHBondContact O-N 3.32Å; E356-R359 PolarHBondContact O-N 3.19Å; E356-R359 IonicContact OE1-CZ 3.84Å; E356-R359 IonicContact OE1-NE 2.69Å; E356-R359 PolarHBondContact OE1-NE 2.95Å; E356-R359 IonicContact OE1-NH2 3.68Å; E356-R359 PolarHBondContact OE1-NH2 3.34Å; E356-R359 IonicContact OE2-CZ 3.97Å; E356-R359 IonicContact OE2-NE 3.18Å; E356-R359 PolarHBondContact OE2-NE 3.15Å; E356-R359 IonicContact OE2-NH2 3.9Å; E356-L360 HydrophobicContact CG-CD1 4.29Å; E356-L360 VanDerWaalsContact O-CG 3.29Å; E356-L360 WeakPolarHBondContact O-CG 3.39Å; E356-L360 PolarHBondContact O-N 2.99Å
357	S	91	Very high	90.8	Very high	57 Å²	57	89 Å²	89	40%	0.399	45%	0.451	S	S	.	.	H	α-helix	trans	-59.6	-51.1	172.9	-165.9	0	0	0	0	111.6	A353 L354 R359 L360 E361	A353-S357 PolarHBondContact O-N 3.11Å; L354-S357 WeakPolarHBondContact O-CA 3.48Å; L354-S357 VanDerWaalsContact O-CB 3.3Å; L354-S357 WeakPolarHBondContact O-CB 3.44Å; L354-S357 PolarHBondContact O-N 3.47Å; S357-R359 VanDerWaalsContact C-N 3.28Å; S357-R359 PolarHBondContact O-N 3.34Å; S357-L360 PolarHBondContact O-N 3.06Å; S357-L360 VanDerWaalsContact O-N 3.15Å; S357-E361 PolarHBondContact O-N 3.07Å
358	D	87.9	Confident	91	Very high	87 Å²	87	83.2 Å²	83.2	47%	0.465	43%	0.427	S	S	.	.	H	α-helix	trans	-61.5	-38.1	178.9	-65.2	-18.2	0	0	0	111.7	L354 E361 N362	L354-D358 PolarHBondContact O-N 3.3Å; D358-E361 PolarHBondContact O-N 3.35Å; D358-N362 PolarHBondContact O-N 3.19Å; D358-N362 VanDerWaalsContact O-N 3.1Å; D358-N362 PolarHBondContact O-ND2 3.49Å
359	R	87.8	Confident	91	Very high	106 Å²	106	80.6 Å²	80.6	40%	0.4	42%	0.416	S	S	.	.	H	α-helix	trans	-62.4	-46.1	175.9	-168.9	-171.4	76.5	72.3	9.7	110.7	K355 E356 S357 N362 E363	K355-R359 WeakPolarHBondContact O-CB 3.33Å; K355-R359 PolarHBondContact O-N 3.17Å; E356-R359 PolarHBondContact O-N 3.19Å; E356-R359 IonicContact OE1-CZ 3.84Å; E356-R359 IonicContact OE1-NE 2.69Å; E356-R359 PolarHBondContact OE1-NE 2.95Å; E356-R359 IonicContact OE1-NH2 3.68Å; E356-R359 PolarHBondContact OE1-NH2 3.34Å; E356-R359 IonicContact OE2-CZ 3.97Å; E356-R359 IonicContact OE2-NE 3.18Å; E356-R359 PolarHBondContact OE2-NE 3.15Å; E356-R359 IonicContact OE2-NH2 3.9Å; S357-R359 VanDerWaalsContact C-N 3.28Å; S357-R359 PolarHBondContact O-N 3.34Å; R359-N362 PolarHBondContact O-N 3.02Å; R359-E363 IonicContact CZ-OE1 3.56Å; R359-E363 IonicContact CZ-OE2 3.95Å; R359-E363 IonicContact NH1-OE1 2.84Å; R359-E363 PolarHBondContact NH1-OE1 3.03Å; R359-E363 IonicContact NH1-OE2 3.22Å; R359-E363 PolarHBondContact NH1-OE2 3.38Å; R359-E363 IonicContact NH2-OE2 3.95Å; R359-E363 WeakPolarHBondContact O-CG 3.32Å; R359-E363 PolarHBondContact O-N 3.45Å
360	L	85.4	Confident	91.1	Very high	70 Å²	70	77.3 Å²	77.3	37%	0.366	39%	0.394	S	S	.	.	H	α-helix	trans	-64.8	-44	177.4	-70.8	170.7	0	0	0	111.1	E356 S357 N362 E363 W364	E356-L360 HydrophobicContact CG-CD1 4.29Å; E356-L360 VanDerWaalsContact O-CG 3.29Å; E356-L360 WeakPolarHBondContact O-CG 3.39Å; E356-L360 PolarHBondContact O-N 2.99Å; S357-L360 PolarHBondContact O-N 3.06Å; S357-L360 VanDerWaalsContact O-N 3.15Å; L360-N362 VanDerWaalsContact C-N 3.31Å; L360-N362 PolarHBondContact O-N 2.98Å; L360-E363 PolarHBondContact O-N 3.31Å; L360-W364 PolarHBondContact O-N 3.41Å
361	E	85.7	Confident	91.3	Very high	129 Å²	129	75.8 Å²	75.8	60%	0.603	40%	0.397	S	S	*	.	H	α-helix	trans	-57.6	-44.9	176.5	-74.5	-174.6	178	0	0	112.1	S357 D358 E363 W364 L365	S357-E361 PolarHBondContact O-N 3.07Å; D358-E361 PolarHBondContact O-N 3.35Å; E361-E363 PolarHBondContact O-N 3.06Å; E361-W364 PolarHBondContact O-N 3.49Å; E361-L365 PolarHBondContact O-N 2.92Å
362	N	83.3	Confident	91.5	Very high	99 Å²	99	74.2 Å²	74.2	53%	0.529	39%	0.393	S	S	.	.	H	α-helix	trans	-65.8	-36.4	177.6	-76.5	-57.4	0	0	0	113.4	D358 R359 L360 W364 L365	D358-N362 PolarHBondContact O-N 3.19Å; D358-N362 VanDerWaalsContact O-N 3.1Å; D358-N362 PolarHBondContact O-ND2 3.49Å; R359-N362 PolarHBondContact O-N 3.02Å; L360-N362 VanDerWaalsContact C-N 3.31Å; L360-N362 PolarHBondContact O-N 2.98Å; N362-W364 PolarHBondContact O-N 2.92Å; N362-L365 PolarHBondContact O-N 3.3Å
363	E	82.6	Confident	91.6	Very high	46 Å²	46	74.8 Å²	74.8	22%	0.215	39%	0.389	C	S	.	.	H	α-helix	trans	-66.4	-22.4	175.5	-78.4	-169.8	150.8	0	0	113.3	R359 L360 E361 R397	R359-E363 IonicContact CZ-OE1 3.56Å; R359-E363 IonicContact CZ-OE2 3.95Å; R359-E363 IonicContact NH1-OE1 2.84Å; R359-E363 PolarHBondContact NH1-OE1 3.03Å; R359-E363 IonicContact NH1-OE2 3.22Å; R359-E363 PolarHBondContact NH1-OE2 3.38Å; R359-E363 IonicContact NH2-OE2 3.95Å; R359-E363 WeakPolarHBondContact O-CG 3.32Å; R359-E363 PolarHBondContact O-N 3.45Å; L360-E363 PolarHBondContact O-N 3.31Å; E361-E363 PolarHBondContact O-N 3.06Å; E363-R397 VanDerWaalsContact CD-NH2 3.3Å; E363-R397 IonicContact OE1-CZ 3.28Å; E363-R397 IonicContact OE1-NH1 3.67Å; E363-R397 IonicContact OE1-NH2 2.71Å; E363-R397 PolarHBondContact OE1-NH2 3.46Å; E363-R397 IonicContact OE2-CZ 3.8Å; E363-R397 VanDerWaalsContact OE2-CZ 3.28Å; E363-R397 IonicContact OE2-NH1 3.38Å; E363-R397 PolarHBondContact OE2-NH1 2.84Å; E363-R397 IonicContact OE2-NH2 2.89Å; E363-R397 PolarHBondContact OE2-NH2 3.43Å
364	W	87.5	Confident	91.8	Very high	147 Å²	147	77.8 Å²	77.8	56%	0.557	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-0.6	-175.7	-72.3	60.2	0	0	0	113.4	L360 E361 N362 V398	L360-W364 PolarHBondContact O-N 3.41Å; E361-W364 PolarHBondContact O-N 3.49Å; N362-W364 PolarHBondContact O-N 2.92Å; W364-V398 HydrophobicContact CB-CG1 4.42Å; W364-V398 HydrophobicContact CD2-CG1 4.39Å; W364-V398 HydrophobicContact CE3-CG1 3.64Å; W364-V398 HydrophobicContact CZ3-CG1 4.32Å; W364-V398 VanDerWaalsContact O-CG2 3.25Å; W364-V398 WeakPolarHBondContact O-CG2 3.46Å
365	L	90.2	Very high	92	Very high	76 Å²	76	73.8 Å²	73.8	40%	0.398	37%	0.372	S	S	.	.	S	Bend	trans	-62	142.4	170.5	-73.4	172.2	0	0	0	111.2	E361 N362 Q367	E361-L365 PolarHBondContact O-N 2.92Å; N362-L365 PolarHBondContact O-N 3.3Å; L365-Q367 WeakPolarHBondContact O-CG 3.5Å; L365-Q367 PolarHBondContact O-N 2.9Å
366	P	93.3	Very high	92.2	Very high	18 Å²	18	70.5 Å²	70.5	12%	0.117	36%	0.364	C	S	.	.			trans	-55	122.6	172.1	-29.1	38.3	0	0	0	111.9	V398 V400 L464 N465	P366-V398 HydrophobicContact CG-CG2 4.29Å; P366-V400 HydrophobicContact CB-CG1 4.44Å; P366-V400 HydrophobicContact CB-CG2 3.99Å; P366-L464 HydrophobicContact CB-CB 4.47Å; P366-L464 HydrophobicContact CB-CD1 4.32Å; P366-L464 WeakPolarHBondContact O-CD1 3.34Å; P366-N465 WeakPolarHBondContact CG-O 3.34Å
367	Q	93.5	Very high	92.5	Very high	77 Å²	77	66.8 Å²	66.8	36%	0.36	35%	0.346	S	S	.	.			trans	-133.8	134.1	-179.2	-69.1	-179.6	26.8	0	0	111.5	L365 N394 T395 G396	L365-Q367 WeakPolarHBondContact O-CG 3.5Å; L365-Q367 PolarHBondContact O-N 2.9Å; Q367-N394 PolarHBondContact O-OD1 2.87Å; Q367-T395 PolarHBondContact O-N 2.99Å; Q367-T395 VanDerWaalsContact O-N 3.13Å; Q367-G396 PolarHBondContact O-N 3.21Å
368	V	96.5	Very high	92.5	Very high	6 Å²	6	71.2 Å²	71.2	4%	0.036	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	155.7	172.3	-52.6	0	0	0	0	111.3	L370 I392 T393 V400 L464 F470	V368-L370 HydrophobicContact CG2-CD2 4.1Å; V368-I392 HydrophobicContact CB-CG2 3.81Å; V368-I392 HydrophobicContact CG1-CG2 3.93Å; V368-I392 HydrophobicContact CG2-CG2 3.92Å; V368-T393 CarbonylContact C-O 3.54Å; V368-T393 WeakPolarHBondContact CA-O 3.14Å; V368-T393 WeakPolarHBondContact CB-O 3.4Å; V368-V400 HydrophobicContact CG1-CB 4.2Å; V368-V400 HydrophobicContact CG1-CG1 3.74Å; V368-V400 HydrophobicContact CG1-CG2 4.07Å; V368-L464 HydrophobicContact CG1-CD1 4.12Å; V368-L464 HydrophobicContact CG1-CD2 4.07Å; V368-L464 HydrophobicContact CG2-CD1 4.08Å; V368-L464 HydrophobicContact CG2-CD2 4.09Å; V368-F470 HydrophobicContact CG2-CD2 4.41Å; V368-F470 HydrophobicContact CG2-CE1 4.43Å; V368-F470 HydrophobicContact CG2-CE2 3.46Å; V368-F470 VanDerWaalsContact CG2-CE2 3.46Å; V368-F470 HydrophobicContact CG2-CZ 3.42Å; V368-F470 VanDerWaalsContact CG2-CZ 3.42Å; V368-F470 WeakPolarHBondContact O-CZ 3.39Å
369	A	97.1	Very high	92.7	Very high	44 Å²	44	74 Å²	74	36%	0.364	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135	164.6	0	0	0	0	0	109.5	T393 T395	A369-T393 PolarHBondContact N-O 3.21Å; A369-T393 PolarHBondContact O-N 3.32Å; A369-T395 HydrophobicContact CB-CG2 3.79Å
370	L	97.9	Very high	93	Very high	32 Å²	32	69 Å²	69	17%	0.168	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	138.9	177.1	-60.1	-173.3	0	0	0	109.4	V368 T372 L373 L390 I392 L462 F470 I472	V368-L370 HydrophobicContact CG2-CD2 4.1Å; L370-T372 VanDerWaalsContact C-N 3.28Å; L370-T372 PolarHBondContact O-N 2.84Å; L370-L373 HydrophobicContact CB-CD2 4.47Å; L370-L373 HydrophobicContact CD1-CD2 3.67Å; L370-L390 HydrophobicContact CB-CD1 4.18Å; L370-L390 HydrophobicContact CD2-CD1 4.48Å; L370-I392 HydrophobicContact CD2-CB 4.12Å; L370-I392 HydrophobicContact CD2-CG1 3.66Å; L370-I392 HydrophobicContact CD2-CG2 3.95Å; L370-L462 HydrophobicContact CD2-CD1 4.24Å; L370-F470 HydrophobicContact CD1-CB 3.6Å; L370-F470 HydrophobicContact CD1-CD1 3.47Å; L370-F470 VanDerWaalsContact CD1-CD1 3.47Å; L370-F470 HydrophobicContact CD1-CD2 4.35Å; L370-F470 HydrophobicContact CD1-CE1 4.08Å; L370-F470 HydrophobicContact CD1-CG 3.58Å; L370-F470 HydrophobicContact CG-CD1 3.99Å; L370-F470 HydrophobicContact CG-CE1 4.08Å; L370-F470 HydrophobicContact CG-CG 4.36Å; L370-I472 HydrophobicContact CD1-CD1 4.09Å; L370-I472 HydrophobicContact CD1-CG1 4.23Å
371	S	97.6	Very high	93.5	Very high	72 Å²	72	65.9 Å²	65.9	50%	0.503	34%	0.335	S	S	.	.	S	Bend	trans	-65.9	-29.8	177.7	56.2	0	0	0	0	113.5	T391	S371-T391 PolarHBondContact N-O 2.98Å; S371-T391 PolarHBondContact OG-N 3.02Å
372	T	97.4	Very high	94	Very high	48 Å²	48	60 Å²	60	29%	0.294	31%	0.307	S	S	.	.			trans	-153.1	156.6	174.7	-173.6	0	0	0	0	109.8	L370 E374 F375 L390	L370-T372 VanDerWaalsContact C-N 3.28Å; L370-T372 PolarHBondContact O-N 2.84Å; T372-E374 PolarHBondContact OG1-N 3.02Å; T372-E374 VanDerWaalsContact OG1-N 3.11Å; T372-E374 PolarHBondContact OG1-O 3.22Å; T372-F375 HydrophobicContact CG2-CD1 4.3Å; T372-F375 HydrophobicContact CG2-CD2 4.27Å; T372-F375 HydrophobicContact CG2-CE1 3.71Å; T372-F375 HydrophobicContact CG2-CE2 3.66Å; T372-F375 HydrophobicContact CG2-CZ 3.33Å; T372-L390 HydrophobicContact CG2-CD1 4.27Å; T372-L390 VanDerWaalsContact O-CD1 3.32Å; T372-L390 WeakPolarHBondContact O-CD1 3.43Å
373	L	97.4	Very high	94.6	Very high	87 Å²	87	56.9 Å²	56.9	46%	0.455	29%	0.29	S	S	.	.	S	Bend	trans	-110.5	-3.7	169.3	-67.4	173	0	0	0	112	L370 F470 I472 T473	L370-L373 HydrophobicContact CB-CD2 4.47Å; L370-L373 HydrophobicContact CD1-CD2 3.67Å; L373-F470 HydrophobicContact CD2-CB 4.48Å; L373-F470 HydrophobicContact CD2-CD1 4.29Å; L373-I472 HydrophobicContact CD2-CG1 4.26Å; L373-I472 CarbonylContact O-C 3.56Å; L373-I472 VanDerWaalsContact O-CA 3.26Å; L373-I472 WeakPolarHBondContact O-CA 2.95Å; L373-T473 PolarHBondContact O-N 2.98Å
374	E	97.8	Very high	95.3	Very high	123 Å²	123	57.5 Å²	57.5	58%	0.575	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.3	-178.1	-63.8	-175.9	173.5	0	0	109.8	T372 T473	T372-E374 PolarHBondContact OG1-N 3.02Å; T372-E374 VanDerWaalsContact OG1-N 3.11Å; T372-E374 PolarHBondContact OG1-O 3.22Å; E374-T473 CarbonylContact C-O 3.56Å; E374-T473 WeakPolarHBondContact CA-O 3.31Å
375	F	97.4	Very high	95.7	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.009	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125	171.5	-72.7	-80.9	0	0	0	108.8	T372 F377 Q388 L390 V437 I472 T473 V474 M475	T372-F375 HydrophobicContact CG2-CD1 4.3Å; T372-F375 HydrophobicContact CG2-CD2 4.27Å; T372-F375 HydrophobicContact CG2-CE1 3.71Å; T372-F375 HydrophobicContact CG2-CE2 3.66Å; T372-F375 HydrophobicContact CG2-CZ 3.33Å; F375-F377 HydrophobicContact CB-CD2 4.44Å; F375-F377 HydrophobicContact CB-CE2 3.85Å; F375-Q388 HydrophobicContact CD1-CB 3.59Å; F375-Q388 HydrophobicContact CD1-CG 4.4Å; F375-Q388 HydrophobicContact CE1-CB 3.65Å; F375-L390 HydrophobicContact CE2-CB 4.2Å; F375-L390 HydrophobicContact CE2-CD1 4.27Å; F375-L390 HydrophobicContact CZ-CB 3.72Å; F375-L390 HydrophobicContact CZ-CD1 4.18Å; F375-V437 HydrophobicContact CD2-CG1 4.48Å; F375-V437 HydrophobicContact CE1-CG2 4.5Å; F375-V437 HydrophobicContact CE2-CG2 4.03Å; F375-V437 HydrophobicContact CG-CG1 4.5Å; F375-V437 HydrophobicContact CZ-CG2 4.03Å; F375-I472 HydrophobicContact CD2-CG2 3.56Å; F375-I472 HydrophobicContact CE2-CG2 3.67Å; F375-T473 PolarHBondContact N-O 3.47Å; F375-V474 HydrophobicContact CB-CG1 4.26Å; F375-V474 HydrophobicContact CB-CG2 4.25Å; F375-V474 HydrophobicContact CD2-CG2 4.3Å; F375-M475 PolarHBondContact O-N 3.13Å
376	T	97.3	Very high	96	Very high	74 Å²	74	52.2 Å²	52.2	45%	0.454	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.4	173.6	-60.5	0	0	0	0	109.5	Q388 M475	T376-Q388 PolarHBondContact O-NE2 2.97Å; T376-M475 CarbonylContact C-O 3.6Å; T376-M475 WeakPolarHBondContact CA-O 3.49Å
377	F	97	Very high	96.2	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	98	175.2	-63.8	-96.7	0	0	0	109.3	F375 K379 V380 Q386 Q388 V437 V439 V474 M475 A476 T477	F375-F377 HydrophobicContact CB-CD2 4.44Å; F375-F377 HydrophobicContact CB-CE2 3.85Å; F377-K379 PolarHBondContact O-N 3.18Å; F377-V380 HydrophobicContact CB-CG1 3.65Å; F377-V380 HydrophobicContact CG-CG1 4.46Å; F377-Q386 HydrophobicContact CD1-CB 3.7Å; F377-Q386 HydrophobicContact CE1-CB 3.98Å; F377-Q386 WeakPolarHBondContact CE1-O 3.3Å; F377-Q388 HydrophobicContact CD1-CG 4.38Å; F377-Q388 HydrophobicContact CE1-CB 4.14Å; F377-Q388 HydrophobicContact CE1-CG 3.63Å; F377-Q388 HydrophobicContact CZ-CB 3.86Å; F377-Q388 HydrophobicContact CZ-CG 3.79Å; F377-V437 HydrophobicContact CZ-CG1 4.48Å; F377-V437 WeakPolarHBondContact CZ-O 3.34Å; F377-V439 HydrophobicContact CD1-CB 4.43Å; F377-V439 HydrophobicContact CD1-CG2 4.19Å; F377-V439 HydrophobicContact CD2-CG2 3.56Å; F377-V439 HydrophobicContact CE1-CG2 4.22Å; F377-V439 HydrophobicContact CE2-CG2 3.6Å; F377-V439 HydrophobicContact CG-CB 4.43Å; F377-V439 HydrophobicContact CG-CG2 3.88Å; F377-V439 HydrophobicContact CZ-CG2 3.94Å; F377-V474 HydrophobicContact CD2-CG1 4.27Å; F377-V474 HydrophobicContact CE2-CG1 4.02Å; F377-M475 PolarHBondContact N-O 3.39Å; F377-A476 HydrophobicContact CB-CB 3.72Å; F377-A476 CarbonylContact O-C 3.51Å; F377-A476 WeakPolarHBondContact O-CA 3.25Å; F377-T477 PolarHBondContact O-N 3.02Å
378	E	91.2	Very high	96.4	Very high	150 Å²	150	54.2 Å²	54.2	70%	0.701	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	-34.6	-166.4	-65.9	-169.4	167	0	0	115.3	T477	E378-T477 VanDerWaalsContact O-CB 3.25Å; E378-T477 WeakPolarHBondContact O-CB 3.3Å
379	K	91.8	Very high	96.5	Very high	146 Å²	146	57.5 Å²	57.5	64%	0.635	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	88.5	-174.7	-71.2	-176.9	-174.8	171.1	0	109.3	F377 Q386 T477 V479	F377-K379 PolarHBondContact O-N 3.18Å; K379-Q386 PolarHBondContact O-NE2 3.47Å; K379-T477 WeakPolarHBondContact CA-O 3.49Å; K379-V479 HydrophobicContact CB-CG2 3.72Å; K379-V479 HydrophobicContact CG-CG2 3.98Å
380	V	95.1	Very high	96.6	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.9	175.6	-62.5	0	0	0	0	109.6	F377 Q386 V439 V441 L456 A476 T477 Y478 V479	F377-V380 HydrophobicContact CB-CG1 3.65Å; F377-V380 HydrophobicContact CG-CG1 4.46Å; V380-Q386 HydrophobicContact CG1-CG 4.49Å; V380-V439 HydrophobicContact CB-CG1 4.17Å; V380-V439 HydrophobicContact CG1-CB 4.27Å; V380-V439 HydrophobicContact CG1-CG1 3.81Å; V380-V439 HydrophobicContact CG2-CG1 4.24Å; V380-V441 HydrophobicContact CB-CG2 4.35Å; V380-V441 HydrophobicContact CG2-CG2 3.92Å; V380-L456 HydrophobicContact CG2-CD1 3.43Å; V380-L456 VanDerWaalsContact CG2-CD1 3.43Å; V380-A476 HydrophobicContact CG1-CB 4Å; V380-A476 HydrophobicContact CG2-CB 3.74Å; V380-T477 WeakPolarHBondContact CG2-O 3.48Å; V380-T477 PolarHBondContact N-O 3.46Å; V380-Y478 CarbonylContact O-C 3.53Å; V380-Y478 WeakPolarHBondContact O-CA 3.27Å; V380-Y478 WeakPolarHBondContact O-CD2 3.29Å; V380-V479 PolarHBondContact O-N 3.09Å
381	A	95	Very high	96.6	Very high	5 Å²	5	55.5 Å²	55.5	4%	0.041	30%	0.297	C	S	.	.			trans	-120.7	164.1	-175.7	0	0	0	0	0	111.1	L383 E384 V479	A381-L383 PolarHBondContact O-N 3.01Å; A381-E384 HydrophobicContact CB-CB 4.47Å; A381-E384 PolarHBondContact O-N 3.19Å; A381-V479 HydrophobicContact CB-CB 4.48Å
382	F	96.6	Very high	96.6	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.018	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-58.1	124.4	-176.1	176.1	-106.5	0	0	0	111.7	E384 K443 V446 F483 F553 R557	F382-E384 PolarHBondContact O-N 3.47Å; F382-K443 HydrophobicContact CE2-CB 4.14Å; F382-K443 HydrophobicContact CZ-CB 4.48Å; F382-V446 HydrophobicContact CD2-CG2 3.68Å; F382-V446 HydrophobicContact CE2-CG2 4.32Å; F382-F483 HydrophobicContact CD1-CB 3.34Å; F382-F483 HydrophobicContact CD1-CD1 4.19Å; F382-F483 AromaticContact CD1-CG 3.79Å; F382-F483 HydrophobicContact CD1-CG 3.79Å; F382-F483 HydrophobicContact CE1-CB 3.36Å; F382-F483 AromaticContact CE1-CD1 3.68Å; F382-F483 HydrophobicContact CE1-CD1 3.68Å; F382-F483 AromaticContact CE1-CG 3.73Å; F382-F483 HydrophobicContact CE1-CG 3.73Å; F382-F483 HydrophobicContact CG-CB 3.94Å; F382-F483 HydrophobicContact CZ-CB 3.97Å; F382-F553 HydrophobicContact CD1-CZ 4.22Å; F382-F553 HydrophobicContact CE1-CZ 4.17Å; F382-R557 WeakPolarHBondContact O-CD 3.49Å; F382-R557 PolarHBondContact O-NH1 2.69Å
383	L	96.4	Very high	96.7	Very high	35 Å²	35	51.3 Å²	51.3	18%	0.183	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	29.3	-178.5	-60.8	178.9	0	0	0	114.9	A381 V441 D442 H550 F553	A381-L383 PolarHBondContact O-N 3.01Å; L383-V441 PolarHBondContact N-O 2.87Å; L383-D442 HydrophobicContact CD2-CB 4.3Å; L383-H550 PolarHBondContact O-CE1 2.87Å; L383-H550 PolarHBondContact O-NE2 3.36Å; L383-F553 HydrophobicContact CB-CE1 4Å; L383-F553 HydrophobicContact CD1-CE1 4.28Å; L383-F553 HydrophobicContact CD1-CZ 4.21Å
384	E	96.5	Very high	96.7	Very high	58 Å²	58	47.2 Å²	47.2	27%	0.271	25%	0.247	S	C	.	.			trans	-114	102.5	172	-175.6	172.9	177.7	0	0	109.8	A381 F382 Q386 L554 R557	A381-E384 HydrophobicContact CB-CB 4.47Å; A381-E384 PolarHBondContact O-N 3.19Å; F382-E384 PolarHBondContact O-N 3.47Å; E384-Q386 PolarHBondContact O-N 3.49Å; E384-L554 HydrophobicContact CB-CD1 4.46Å; E384-L554 HydrophobicContact CB-CD2 3.84Å; E384-L554 HydrophobicContact CG-CD1 4.02Å; E384-L554 HydrophobicContact CG-CD2 4.28Å; E384-R557 IonicContact OE2-CZ 3.89Å; E384-R557 IonicContact OE2-NH1 2.77Å; E384-R557 PolarHBondContact OE2-NH1 3.44Å; E384-R557 VanDerWaalsContact OE2-NH1 3.08Å; E384-R557 IonicContact OE2-NH2 3.89Å; E384-R557 PolarHBondContact OE2-NH2 2.82Å
385	P	96.1	Very high	96.5	Very high	59 Å²	59	45.2 Å²	45.2	38%	0.383	24%	0.243	S	C	.	.			trans	-69	133.3	-179.3	26.9	-31.9	0	0	0	110.5	Q438 V439 L440	P385-Q438 HydrophobicContact CB-CG 4.09Å; P385-V439 WeakPolarHBondContact CA-O 3.34Å; P385-L440 HydrophobicContact CB-CD1 4.17Å
386	Q	97.4	Very high	96.3	Very high	54 Å²	54	45.5 Å²	45.5	25%	0.252	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.7	168.8	-69.3	-173.5	3.2	0	0	109.9	F377 K379 V380 E384 Q438 V439	F377-Q386 HydrophobicContact CD1-CB 3.7Å; F377-Q386 HydrophobicContact CE1-CB 3.98Å; F377-Q386 WeakPolarHBondContact CE1-O 3.3Å; K379-Q386 PolarHBondContact O-NE2 3.47Å; V380-Q386 HydrophobicContact CG1-CG 4.49Å; E384-Q386 PolarHBondContact O-N 3.49Å; Q386-Q438 CarbonylContact O-C 3.54Å; Q386-Q438 VanDerWaalsContact O-CA 3.29Å; Q386-Q438 WeakPolarHBondContact O-CA 3.46Å; Q386-V439 PolarHBondContact N-O 2.85Å; Q386-V439 PolarHBondContact O-N 3.1Å
387	C	97.3	Very high	96.1	Very high	65 Å²	65	48.6 Å²	48.6	44%	0.439	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.2	-178.8	-67.7	0	0	0	0	110.7	D436 V437 Q438	C387-D436 WeakPolarHBondContact CB-OD1 3.26Å; C387-D436 PolarHBondContact SG-OD2 2.79Å; C387-V437 WeakPolarHBondContact CA-O 3.49Å; C387-Q438 PolarHBondContact SG-NE2 3.26Å
388	Q	98	Very high	95.9	Very high	71 Å²	71	49.9 Å²	49.9	33%	0.332	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.4	162.8	-69.4	-175.2	37	0	0	109.2	F375 T376 F377 V437	F375-Q388 HydrophobicContact CD1-CB 3.59Å; F375-Q388 HydrophobicContact CD1-CG 4.4Å; F375-Q388 HydrophobicContact CE1-CB 3.65Å; T376-Q388 PolarHBondContact O-NE2 2.97Å; F377-Q388 HydrophobicContact CD1-CG 4.38Å; F377-Q388 HydrophobicContact CE1-CB 4.14Å; F377-Q388 HydrophobicContact CE1-CG 3.63Å; F377-Q388 HydrophobicContact CZ-CB 3.86Å; F377-Q388 HydrophobicContact CZ-CG 3.79Å; Q388-V437 PolarHBondContact N-O 3.2Å; Q388-V437 WeakPolarHBondContact O-CB 3.46Å; Q388-V437 PolarHBondContact O-N 3.34Å
389	T	98.2	Very high	96.1	Very high	75 Å²	75	47.3 Å²	47.3	46%	0.46	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.6	-174.8	-52.7	0	0	0	0	111.5	L434 V435	T389-L434 HydrophobicContact CG2-CB 4.09Å; T389-L434 HydrophobicContact CG2-CD2 4.17Å; T389-V435 WeakPolarHBondContact CA-O 3.48Å
390	L	98.4	Very high	96.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.3	163.3	-180	66.7	0	0	0	109.2	L370 T372 F375 I392 F404 V435 V437 L462 I472	L370-L390 HydrophobicContact CB-CD1 4.18Å; L370-L390 HydrophobicContact CD2-CD1 4.48Å; T372-L390 HydrophobicContact CG2-CD1 4.27Å; T372-L390 VanDerWaalsContact O-CD1 3.32Å; T372-L390 WeakPolarHBondContact O-CD1 3.43Å; F375-L390 HydrophobicContact CE2-CB 4.2Å; F375-L390 HydrophobicContact CE2-CD1 4.27Å; F375-L390 HydrophobicContact CZ-CB 3.72Å; F375-L390 HydrophobicContact CZ-CD1 4.18Å; L390-I392 HydrophobicContact CD2-CD1 4.37Å; L390-I392 HydrophobicContact CD2-CG1 4.08Å; L390-I392 HydrophobicContact CG-CG1 4.17Å; L390-F404 HydrophobicContact CD2-CZ 4.23Å; L390-V435 HydrophobicContact CB-CB 4.17Å; L390-V435 PolarHBondContact N-O 3.42Å; L390-V435 PolarHBondContact O-N 3.14Å; L390-V437 HydrophobicContact CB-CG2 4.39Å; L390-L462 HydrophobicContact CD2-CD1 4.27Å; L390-I472 HydrophobicContact CD2-CD1 3.64Å
391	T	98.4	Very high	96.5	Very high	34 Å²	34	43.1 Å²	43.1	21%	0.209	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.9	169.6	-56.6	0	0	0	0	109.5	S371 K432 L434	S371-T391 PolarHBondContact N-O 2.98Å; S371-T391 PolarHBondContact OG-N 3.02Å; T391-K432 HydrophobicContact CG2-CB 4.23Å; T391-K432 HydrophobicContact CG2-CD 3.94Å; T391-K432 HydrophobicContact CG2-CG 4.43Å; T391-L434 HydrophobicContact CG2-CD2 4Å; T391-L434 WeakPolarHBondContact OG1-CD2 3.33Å
392	I	98.3	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.6	174.1	-52.9	163.7	0	0	0	107.3	V368 L370 L390 F402 I427 K432 C433 V435 L462	V368-I392 HydrophobicContact CB-CG2 3.81Å; V368-I392 HydrophobicContact CG1-CG2 3.93Å; V368-I392 HydrophobicContact CG2-CG2 3.92Å; L370-I392 HydrophobicContact CD2-CB 4.12Å; L370-I392 HydrophobicContact CD2-CG1 3.66Å; L370-I392 HydrophobicContact CD2-CG2 3.95Å; L390-I392 HydrophobicContact CD2-CD1 4.37Å; L390-I392 HydrophobicContact CD2-CG1 4.08Å; L390-I392 HydrophobicContact CG-CG1 4.17Å; I392-F402 HydrophobicContact CD1-CD1 3.85Å; I392-F402 HydrophobicContact CD1-CD2 4Å; I392-F402 HydrophobicContact CD1-CE1 3.45Å; I392-F402 VanDerWaalsContact CD1-CE1 3.45Å; I392-F402 HydrophobicContact CD1-CE2 3.67Å; I392-F402 HydrophobicContact CD1-CG 4.11Å; I392-F402 HydrophobicContact CD1-CZ 3.38Å; I392-I427 HydrophobicContact CB-CD1 3.9Å; I392-I427 HydrophobicContact CG2-CD1 3.52Å; I392-K432 CarbonylContact O-C 3.57Å; I392-K432 VanDerWaalsContact O-CA 3.27Å; I392-K432 WeakPolarHBondContact O-CA 3.37Å; I392-C433 HydrophobicContact CB-CB 4.49Å; I392-C433 PolarHBondContact N-O 2.72Å; I392-C433 PolarHBondContact O-N 2.54Å; I392-V435 HydrophobicContact CD1-CG2 3.59Å; I392-V435 HydrophobicContact CG1-CG2 4.43Å; I392-L462 HydrophobicContact CD1-CD1 3.54Å; I392-L462 HydrophobicContact CG1-CD1 4.1Å
393	T	98.3	Very high	96.7	Very high	31 Å²	31	46.8 Å²	46.8	19%	0.19	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.1	178.6	-54.9	0	0	0	0	109.5	V368 A369 T395 K432	V368-T393 CarbonylContact C-O 3.54Å; V368-T393 WeakPolarHBondContact CA-O 3.14Å; V368-T393 WeakPolarHBondContact CB-O 3.4Å; A369-T393 PolarHBondContact N-O 3.21Å; A369-T393 PolarHBondContact O-N 3.32Å; T393-T395 HydrophobicContact CG2-CG2 4.13Å; T393-T395 PolarHBondContact O-N 3.02Å; T393-K432 HydrophobicContact CG2-CG 3.95Å
394	N	97.3	Very high	96.7	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.011	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	107.2	172.3	-178.5	-6.1	0	0	0	109.8	Q367 G396 V398 V400 I427 K428 V429 G430 E431	Q367-N394 PolarHBondContact O-OD1 2.87Å; N394-G396 PolarHBondContact OD1-N 2.99Å; N394-V398 PolarHBondContact ND2-O 2.83Å; N394-V400 HydrophobicContact CB-CG2 4.42Å; N394-V400 WeakPolarHBondContact ND2-CG2 3.45Å; N394-V400 PolarHBondContact ND2-N 2.88Å; N394-I427 HydrophobicContact CB-CB 4.17Å; N394-I427 HydrophobicContact CB-CG2 3.73Å; N394-I427 PolarHBondContact ND2-O 2.87Å; N394-K428 WeakPolarHBondContact CB-O 3.27Å; N394-K428 PolarHBondContact ND2-O 3.1Å; N394-V429 PolarHBondContact ND2-N 2.85Å; N394-G430 WeakPolarHBondContact O-CA 3.48Å; N394-G430 PolarHBondContact O-N 3.41Å; N394-G430 VanDerWaalsContact O-N 3.11Å; N394-E431 PolarHBondContact N-O 2.87Å
395	T	95.5	Very high	96.7	Very high	80 Å²	80	44.5 Å²	44.5	49%	0.491	25%	0.245	S	C	.	.			trans	-102.9	0.5	179.6	57.9	0	0	0	0	112.7	Q367 A369 T393	Q367-T395 PolarHBondContact O-N 2.99Å; Q367-T395 VanDerWaalsContact O-N 3.13Å; A369-T395 HydrophobicContact CB-CG2 3.79Å; T393-T395 HydrophobicContact CG2-CG2 4.13Å; T393-T395 PolarHBondContact O-N 3.02Å
396	G	92.9	Very high	96.6	Very high	9 Å²	9	44 Å²	44	9%	0.093	25%	0.246	C	C	.	.	S	Bend	trans	-82.4	-172.7	178.5	0	0	0	0	0	113.1	Q367 N394 V429	Q367-G396 PolarHBondContact O-N 3.21Å; N394-G396 PolarHBondContact OD1-N 2.99Å; G396-V429 WeakPolarHBondContact O-CG1 3.47Å
397	R	91.8	Very high	96.4	Very high	139 Å²	139	43.1 Å²	43.1	53%	0.525	24%	0.241	S	C	.	.	S	Bend	trans	-98.2	-4.5	177.1	-64	-164.2	177.2	165.5	15.5	114.4	E363	E363-R397 VanDerWaalsContact CD-NH2 3.3Å; E363-R397 IonicContact OE1-CZ 3.28Å; E363-R397 IonicContact OE1-NH1 3.67Å; E363-R397 IonicContact OE1-NH2 2.71Å; E363-R397 PolarHBondContact OE1-NH2 3.46Å; E363-R397 IonicContact OE2-CZ 3.8Å; E363-R397 VanDerWaalsContact OE2-CZ 3.28Å; E363-R397 IonicContact OE2-NH1 3.38Å; E363-R397 PolarHBondContact OE2-NH1 2.84Å; E363-R397 IonicContact OE2-NH2 2.89Å; E363-R397 PolarHBondContact OE2-NH2 3.43Å
398	V	93.3	Very high	96	Very high	28 Å²	28	46.6 Å²	46.6	17%	0.17	26%	0.263	C	S	.	.	S	Bend	trans	-126.1	154.5	-177.5	-61.1	0	0	0	0	111.1	W364 P366 N394 V429	W364-V398 HydrophobicContact CB-CG1 4.42Å; W364-V398 HydrophobicContact CD2-CG1 4.39Å; W364-V398 HydrophobicContact CE3-CG1 3.64Å; W364-V398 HydrophobicContact CZ3-CG1 4.32Å; W364-V398 VanDerWaalsContact O-CG2 3.25Å; W364-V398 WeakPolarHBondContact O-CG2 3.46Å; P366-V398 HydrophobicContact CG-CG2 4.29Å; N394-V398 PolarHBondContact ND2-O 2.83Å; V398-V429 VanDerWaalsContact C-CG2 3.42Å
399	P	95.4	Very high	95.6	Very high	97 Å²	97	47.5 Å²	47.5	63%	0.63	29%	0.291	S	S	*	.			trans	-56.8	139	168.9	-22.6	33.8	0	0	0	111.1	I427	P399-I427 WeakPolarHBondContact CA-O 3.45Å
400	V	96.7	Very high	95.3	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.8	-178.3	175.4	0	0	0	0	109.4	P366 V368 N394 K426 I427 L464	P366-V400 HydrophobicContact CB-CG1 4.44Å; P366-V400 HydrophobicContact CB-CG2 3.99Å; V368-V400 HydrophobicContact CG1-CB 4.2Å; V368-V400 HydrophobicContact CG1-CG1 3.74Å; V368-V400 HydrophobicContact CG1-CG2 4.07Å; N394-V400 HydrophobicContact CB-CG2 4.42Å; N394-V400 WeakPolarHBondContact ND2-CG2 3.45Å; N394-V400 PolarHBondContact ND2-N 2.88Å; V400-K426 CarbonylContact O-C 3.52Å; V400-K426 VanDerWaalsContact O-CA 3.3Å; V400-K426 WeakPolarHBondContact O-CA 3.47Å; V400-I427 PolarHBondContact N-O 2.86Å; V400-I427 PolarHBondContact O-N 2.86Å; V400-L464 HydrophobicContact CG1-CD1 4.24Å; V400-L464 HydrophobicContact CG1-CD2 3.6Å; V400-L464 HydrophobicContact CG1-CG 4.36Å
401	H	97.9	Very high	94.8	Very high	57 Å²	57	56.7 Å²	56.7	26%	0.264	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123	164.2	-178.3	-127.1	0	0	0	108.3	H425 K426 N465	H401-H425 PolarHBondContact CD2-O 2.84Å; H401-H425 VanDerWaalsContact CD2-O 3.32Å; H401-K426 HydrophobicContact CB-CG 4.11Å; H401-K426 VanDerWaalsContact CD2-CG 3.46Å; H401-K426 WeakPolarHBondContact CD2-CG 3.45Å; H401-N465 HydrophobicContact CB-CB 4.3Å; H401-N465 PolarHBondContact O-N 2.9Å
402	F	97.8	Very high	94.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	153.1	174.1	81.7	-95.4	0	0	0	111.1	I392 F404 P422 S424 H425 I427 C433 V435 L462 H463 L464	I392-F402 HydrophobicContact CD1-CD1 3.85Å; I392-F402 HydrophobicContact CD1-CD2 4Å; I392-F402 HydrophobicContact CD1-CE1 3.45Å; I392-F402 VanDerWaalsContact CD1-CE1 3.45Å; I392-F402 HydrophobicContact CD1-CE2 3.67Å; I392-F402 HydrophobicContact CD1-CG 4.11Å; I392-F402 HydrophobicContact CD1-CZ 3.38Å; F402-F404 HydrophobicContact CD2-CE2 4.5Å; F402-F404 HydrophobicContact CE2-CD2 4.27Å; F402-F404 AromaticContact CE2-CE2 3.96Å; F402-F404 HydrophobicContact CE2-CE2 3.96Å; F402-P422 HydrophobicContact CZ-CG 4.45Å; F402-S424 CarbonylContact O-C 3.54Å; F402-S424 VanDerWaalsContact O-CA 3.22Å; F402-S424 WeakPolarHBondContact O-CA 3.37Å; F402-S424 WeakPolarHBondContact O-CB 3.4Å; F402-H425 HydrophobicContact CD1-CB 4.2Å; F402-H425 WeakPolarHBondContact CD1-O 3.42Å; F402-H425 HydrophobicContact CE1-CB 3.43Å; F402-H425 VanDerWaalsContact CE1-CB 3.43Å; F402-H425 HydrophobicContact CZ-CB 3.72Å; F402-H425 PolarHBondContact N-O 2.85Å; F402-H425 PolarHBondContact O-N 2.91Å; F402-I427 HydrophobicContact CD1-CD1 3.83Å; F402-I427 HydrophobicContact CD1-CG1 4.2Å; F402-I427 HydrophobicContact CE1-CD1 3.89Å; F402-I427 HydrophobicContact CE1-CG1 4.25Å; F402-C433 HydrophobicContact CE1-CB 4.06Å; F402-V435 HydrophobicContact CE2-CG2 4.23Å; F402-V435 HydrophobicContact CZ-CG2 3.78Å; F402-L462 HydrophobicContact CB-CD2 4.17Å; F402-L462 HydrophobicContact CB-CG 4.35Å; F402-L462 HydrophobicContact CD2-CD1 4Å; F402-L462 HydrophobicContact CD2-CG 4.13Å; F402-L462 HydrophobicContact CE2-CD1 4.48Å; F402-L462 HydrophobicContact CG-CD1 4.47Å; F402-H463 CarbonylContact C-O 3.58Å; F402-H463 WeakPolarHBondContact CA-O 3.3Å; F402-L464 HydrophobicContact CB-CD2 3.7Å
403	E	97.9	Very high	94.5	Very high	85 Å²	85	60.5 Å²	60.5	40%	0.397	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.2	169.3	64.5	-174.5	178.3	0	0	111.2	G423 H463	E403-G423 CarbonylContact C-O 3.56Å; E403-G423 WeakPolarHBondContact CA-O 3.49Å; E403-H463 HydrophobicContact CG-CB 4.25Å; E403-H463 PolarHBondContact N-O 3.04Å; E403-H463 PolarHBondContact O-N 3Å; E403-H463 IonicContact OE1-CD2 2.84Å
404	F	97.9	Very high	94.3	Very high	12 Å²	12	60 Å²	60	5%	0.053	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.2	167.7	-73.5	-83.4	0	0	0	109.8	L390 F402 F413 V420 G423 V435 L460 V461 L462 I472	L390-F404 HydrophobicContact CD2-CZ 4.23Å; F402-F404 HydrophobicContact CD2-CE2 4.5Å; F402-F404 HydrophobicContact CE2-CD2 4.27Å; F402-F404 AromaticContact CE2-CE2 3.96Å; F402-F404 HydrophobicContact CE2-CE2 3.96Å; F404-F413 HydrophobicContact CB-CB 4.1Å; F404-F413 HydrophobicContact CB-CD1 4.15Å; F404-F413 HydrophobicContact CB-CD2 3.63Å; F404-F413 HydrophobicContact CB-CE2 4.08Å; F404-F413 HydrophobicContact CB-CG 3.69Å; F404-F413 HydrophobicContact CG-CD2 4.4Å; F404-F413 WeakPolarHBondContact O-CD1 3.22Å; F404-V420 HydrophobicContact CD2-CG1 3.76Å; F404-V420 HydrophobicContact CE1-CG1 4.4Å; F404-V420 HydrophobicContact CE2-CG1 3.42Å; F404-V420 VanDerWaalsContact CE2-CG1 3.42Å; F404-V420 HydrophobicContact CG-CG1 4.38Å; F404-V420 HydrophobicContact CZ-CG1 3.77Å; F404-G423 WeakPolarHBondContact CD2-O 3.32Å; F404-G423 PolarHBondContact N-O 3.25Å; F404-V435 HydrophobicContact CE2-CG1 3.99Å; F404-V435 HydrophobicContact CZ-CG1 4.32Å; F404-L460 HydrophobicContact CD1-CB 3.88Å; F404-L460 HydrophobicContact CE1-CB 3.79Å; F404-L460 HydrophobicContact CE1-CD1 4.09Å; F404-L460 HydrophobicContact CE1-CG 4.48Å; F404-V461 CarbonylContact C-O 3.53Å; F404-V461 VanDerWaalsContact CA-O 3.27Å; F404-V461 WeakPolarHBondContact CA-O 3.33Å; F404-L462 HydrophobicContact CD1-CB 4.23Å; F404-L462 HydrophobicContact CE1-CB 3.91Å; F404-L462 HydrophobicContact CE1-CD1 4.23Å; F404-L462 HydrophobicContact CE2-CD1 4.34Å; F404-L462 HydrophobicContact CZ-CB 4.39Å; F404-L462 HydrophobicContact CZ-CD1 3.86Å; F404-I472 HydrophobicContact CE1-CD1 4.05Å; F404-I472 HydrophobicContact CZ-CD1 4.43Å
405	S	95.5	Very high	94.2	Very high	34 Å²	34	63.6 Å²	63.6	24%	0.238	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	149.6	-174	58.8	0	0	0	0	112.4	F413 V461	S405-F413 VanDerWaalsContact C-CB 3.47Å; S405-F413 VanDerWaalsContact O-CB 3.23Å; S405-F413 WeakPolarHBondContact O-CB 3.42Å; S405-V461 PolarHBondContact N-O 2.98Å; S405-V461 WeakPolarHBondContact OG-CG1 2.93Å
406	A	95.4	Very high	94.1	Very high	48 Å²	48	65.2 Å²	65.2	40%	0.397	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-68.5	137.4	174.4	0	0	0	0	0	110.9	E410	A406-E410 WeakPolarHBondContact CB-O 3.44Å
407	K	93.3	Very high	94.3	Very high	36 Å²	36	65 Å²	65	16%	0.157	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-66	152.6	172.3	-66.9	173.3	-70.3	-84.1	0	109.6	G409 E410 F413 D458 I459 V461	K407-G409 PolarHBondContact O-N 2.83Å; K407-G409 VanDerWaalsContact O-N 3.15Å; K407-E410 HydrophobicContact CB-CG 4.42Å; K407-E410 VanDerWaalsContact CE-CD 3.45Å; K407-E410 WeakPolarHBondContact CE-OE2 3.21Å; K407-E410 IonicContact NZ-OE2 3.26Å; K407-E410 PolarHBondContact NZ-OE2 2.78Å; K407-E410 PolarHBondContact O-N 2.95Å; K407-F413 PolarHBondContact NZ-O 3.28Å; K407-D458 WeakPolarHBondContact CE-OD1 3.29Å; K407-D458 IonicContact NZ-OD1 2.69Å; K407-D458 PolarHBondContact NZ-OD1 3.28Å; K407-D458 IonicContact NZ-OD2 3.1Å; K407-I459 PolarHBondContact NZ-O 2.85Å; K407-V461 HydrophobicContact CG-CG2 4.16Å
408	P	88.6	Confident	94.5	Very high	137 Å²	137	58.6 Å²	58.6	89%	0.89	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	122	179.6	-26.3	34.5	0	0	0	112.3
409	G	89.6	Confident	94.7	Very high	90 Å²	90	61.7 Å²	61.7	93%	0.928	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-5.2	-179	0	0	0	0	0	115.4	K407	K407-G409 PolarHBondContact O-N 2.83Å; K407-G409 VanDerWaalsContact O-N 3.15Å
410	E	90.4	Very high	94.8	Very high	67 Å²	67	57.5 Å²	57.5	31%	0.313	34%	0.336	S	S	.	.			trans	-100.8	151.7	173.6	-61.3	-169.5	177	0	0	111	A406 K407 R415	A406-E410 WeakPolarHBondContact CB-O 3.44Å; K407-E410 HydrophobicContact CB-CG 4.42Å; K407-E410 VanDerWaalsContact CE-CD 3.45Å; K407-E410 WeakPolarHBondContact CE-OE2 3.21Å; K407-E410 IonicContact NZ-OE2 3.26Å; K407-E410 PolarHBondContact NZ-OE2 2.78Å; K407-E410 PolarHBondContact O-N 2.95Å; E410-R415 IonicContact OE1-CZ 2.83Å; E410-R415 IonicContact OE1-NH2 2.74Å; E410-R415 PolarHBondContact OE1-NH2 2.95Å
411	Q	89.3	Confident	94.8	Very high	203 Å²	203	61.1 Å²	61.1	95%	0.949	36%	0.359	S	S	*	.	S	Bend	trans	-92.8	-29	176.1	-71.1	-171.3	-13.1	0	0	113.2
412	A	93.4	Very high	94.8	Very high	56 Å²	56	60.1 Å²	60.1	46%	0.463	36%	0.357	S	S	.	.	S	Bend	trans	-105.8	151.3	178.4	0	0	0	0	0	109.8	C414	A412-C414 VanDerWaalsContact C-N 3.32Å
413	F	95.7	Very high	94.8	Very high	58 Å²	58	61.2 Å²	61.2	25%	0.254	37%	0.369	S	S	.	.	S	Bend	trans	-78.3	-17.8	177.1	60.9	-105.8	0	0	0	113.4	F404 S405 K407 V420 L460	F404-F413 HydrophobicContact CB-CB 4.1Å; F404-F413 HydrophobicContact CB-CD1 4.15Å; F404-F413 HydrophobicContact CB-CD2 3.63Å; F404-F413 HydrophobicContact CB-CE2 4.08Å; F404-F413 HydrophobicContact CB-CG 3.69Å; F404-F413 HydrophobicContact CG-CD2 4.4Å; F404-F413 WeakPolarHBondContact O-CD1 3.22Å; S405-F413 VanDerWaalsContact C-CB 3.47Å; S405-F413 VanDerWaalsContact O-CB 3.23Å; S405-F413 WeakPolarHBondContact O-CB 3.42Å; K407-F413 PolarHBondContact NZ-O 3.28Å; F413-V420 HydrophobicContact CE2-CB 3.89Å; F413-V420 HydrophobicContact CE2-CG2 4.1Å; F413-L460 HydrophobicContact CD2-CD2 4.38Å
414	C	95.5	Very high	94.7	Very high	21 Å²	21	60.1 Å²	60.1	14%	0.142	37%	0.37	C	S	.	.	S	Bend	trans	-136.1	159.8	178.8	63	0	0	0	0	112.1	A412 L418 D458 L460	A412-C414 VanDerWaalsContact C-N 3.32Å; C414-L418 HydrophobicContact CB-CB 4.23Å; C414-L418 HydrophobicContact CB-CD2 4.06Å; C414-L418 HydrophobicContact CB-CG 4.18Å; C414-L418 PolarHBondContact SG-O 2.84Å; C414-D458 VanDerWaalsContact CA-OD2 3.29Å; C414-D458 WeakPolarHBondContact CA-OD2 3.37Å; C414-L460 HydrophobicContact CB-CD2 3.58Å
415	R	94.9	Very high	94.8	Very high	77 Å²	77	64.1 Å²	64.1	29%	0.291	39%	0.389	S	S	.	.			trans	-67	155.3	173	-66.9	-75.8	165.2	154.3	-9.6	111.9	E410 W417 L418 E454 D458	E410-R415 IonicContact OE1-CZ 2.83Å; E410-R415 IonicContact OE1-NH2 2.74Å; E410-R415 PolarHBondContact OE1-NH2 2.95Å; R415-W417 HydrophobicContact CB-CD2 4.21Å; R415-W417 HydrophobicContact CB-CG 4.35Å; R415-W417 HydrophobicContact CB-CZ2 3.98Å; R415-W417 HydrophobicContact CG-CZ2 4.14Å; R415-W417 PolarHBondContact O-N 2.67Å; R415-W417 VanDerWaalsContact O-N 3.13Å; R415-L418 PolarHBondContact O-N 2.79Å; R415-L418 VanDerWaalsContact O-O 3.07Å; R415-E454 IonicContact NH1-OE1 3.03Å; R415-E454 PolarHBondContact NH1-OE1 3.02Å; R415-E454 IonicContact NH1-OE2 3.57Å; R415-E454 PolarHBondContact NH1-OE2 2.91Å; R415-D458 HydrophobicContact CG-CB 3.92Å; R415-D458 WeakPolarHBondContact CG-OD2 3.5Å; R415-D458 PolarHBondContact N-OD2 2.81Å
416	P	94	Very high	94.9	Very high	114 Å²	114	70 Å²	70	74%	0.74	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.5	-176.5	-26.9	35.5	0	0	0	115.7	L418	P416-L418 PolarHBondContact O-N 3.11Å
417	W	95.9	Very high	95	Very high	3 Å²	3	67.8 Å²	67.8	1%	0.011	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3	178.3	54.3	-101.4	0	0	0	113.9	R415 V439 L440 T445 L456 D458 V474	R415-W417 HydrophobicContact CB-CD2 4.21Å; R415-W417 HydrophobicContact CB-CG 4.35Å; R415-W417 HydrophobicContact CB-CZ2 3.98Å; R415-W417 HydrophobicContact CG-CZ2 4.14Å; R415-W417 PolarHBondContact O-N 2.67Å; R415-W417 VanDerWaalsContact O-N 3.13Å; W417-V439 HydrophobicContact CE3-CG1 4.04Å; W417-V439 HydrophobicContact CE3-CG2 4.19Å; W417-V439 HydrophobicContact CZ3-CG2 4.01Å; W417-V439 WeakPolarHBondContact O-CA 3.41Å; W417-L440 WeakPolarHBondContact CA-O 3.4Å; W417-L440 PolarHBondContact O-N 2.96Å; W417-T445 HydrophobicContact CB-CG2 3.72Å; W417-T445 HydrophobicContact CG-CG2 4.1Å; W417-L456 HydrophobicContact CB-CD2 4.22Å; W417-L456 HydrophobicContact CD2-CD2 3.6Å; W417-L456 HydrophobicContact CE3-CD2 4.21Å; W417-L456 HydrophobicContact CG-CD2 3.57Å; W417-L456 HydrophobicContact CZ2-CB 4.44Å; W417-L456 HydrophobicContact CZ2-CD2 4.49Å; W417-D458 HydrophobicContact CH2-CB 3.9Å; W417-D458 HydrophobicContact CZ2-CB 3.9Å; W417-V474 HydrophobicContact CH2-CG1 4.31Å; W417-V474 HydrophobicContact CZ3-CG1 4.12Å
418	L	97.1	Very high	95.2	Very high	5 Å²	5	72.4 Å²	72.4	3%	0.026	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.4	-177.1	-175	59.1	0	0	0	109.7	C414 R415 P416 V420 V437 Q438 V439 D458 L460 V474	C414-L418 HydrophobicContact CB-CB 4.23Å; C414-L418 HydrophobicContact CB-CD2 4.06Å; C414-L418 HydrophobicContact CB-CG 4.18Å; C414-L418 PolarHBondContact SG-O 2.84Å; R415-L418 PolarHBondContact O-N 2.79Å; R415-L418 VanDerWaalsContact O-O 3.07Å; P416-L418 PolarHBondContact O-N 3.11Å; L418-V420 HydrophobicContact CG-CG2 4.33Å; L418-V437 HydrophobicContact CD1-CG1 3.72Å; L418-Q438 WeakPolarHBondContact CA-O 3.34Å; L418-V439 HydrophobicContact CD1-CG2 4.09Å; L418-D458 HydrophobicContact CD2-CB 4.18Å; L418-L460 HydrophobicContact CD2-CD1 4.22Å; L418-L460 HydrophobicContact CD2-CD2 3.78Å; L418-L460 HydrophobicContact CD2-CG 4.08Å; L418-V474 HydrophobicContact CD1-CG1 4.01Å; L418-V474 HydrophobicContact CD2-CB 4.12Å; L418-V474 HydrophobicContact CD2-CG1 4.18Å; L418-V474 HydrophobicContact CD2-CG2 3.98Å
419	L	96.8	Very high	95.6	Very high	94 Å²	94	69.5 Å²	69.5	49%	0.492	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132	175.9	-169.3	73.3	0	0	0	109.6	Q438	L419-Q438 HydrophobicContact CB-CB 4.29Å; L419-Q438 PolarHBondContact N-O 3.36Å; L419-Q438 PolarHBondContact O-N 3.43Å
420	V	97.7	Very high	95.8	Very high	8 Å²	8	68 Å²	68	5%	0.048	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119	-178.3	-173.8	0	0	0	0	109.6	F404 F413 L418 V435 D436 L460	F404-V420 HydrophobicContact CD2-CG1 3.76Å; F404-V420 HydrophobicContact CE1-CG1 4.4Å; F404-V420 HydrophobicContact CE2-CG1 3.42Å; F404-V420 VanDerWaalsContact CE2-CG1 3.42Å; F404-V420 HydrophobicContact CG-CG1 4.38Å; F404-V420 HydrophobicContact CZ-CG1 3.77Å; F413-V420 HydrophobicContact CE2-CB 3.89Å; F413-V420 HydrophobicContact CE2-CG2 4.1Å; L418-V420 HydrophobicContact CG-CG2 4.33Å; V420-V435 HydrophobicContact CG1-CG1 3.39Å; V420-D436 WeakPolarHBondContact CA-O 3.36Å; V420-L460 HydrophobicContact CG2-CD1 3.68Å; V420-L460 HydrophobicContact CG2-CD2 3.9Å; V420-L460 HydrophobicContact CG2-CG 4.47Å
421	T	97.4	Very high	96.2	Very high	78 Å²	78	69.3 Å²	69.3	48%	0.479	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	122.8	-174.2	-54	0	0	0	0	112.1	V435 D436	T421-V435 CarbonylContact O-C 3.39Å; T421-V435 WeakPolarHBondContact O-CA 3.46Å; T421-D436 PolarHBondContact N-O 3.45Å; T421-D436 PolarHBondContact O-N 3.25Å
422	P	98.1	Very high	96.6	Very high	37 Å²	37	66.5 Å²	66.5	24%	0.24	37%	0.367	C	S	.	.			cis	-74.4	150.5	-5	32	-36.5	0	0	0	112.7	F402 S424 H425 L434 V435	F402-P422 HydrophobicContact CZ-CG 4.45Å; P422-S424 VanDerWaalsContact C-N 3.34Å; P422-H425 HydrophobicContact CG-CB 4.28Å; P422-L434 WeakPolarHBondContact CD-O 3.23Å; P422-V435 HydrophobicContact CG-CG2 4.36Å
423	G	96.2	Very high	96.8	Very high	23 Å²	23	64.3 Å²	64.3	24%	0.237	35%	0.348	C	S	.	.	S	Bend	trans	-76.1	-18.6	172.4	0	0	0	0	0	114.2	E403 F404	E403-G423 CarbonylContact C-O 3.56Å; E403-G423 WeakPolarHBondContact CA-O 3.49Å; F404-G423 WeakPolarHBondContact CD2-O 3.32Å; F404-G423 PolarHBondContact N-O 3.25Å
424	S	97.5	Very high	96.9	Very high	62 Å²	62	66.9 Å²	66.9	43%	0.434	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	148.7	173.7	62.5	0	0	0	0	111.2	F402 P422	F402-S424 CarbonylContact O-C 3.54Å; F402-S424 VanDerWaalsContact O-CA 3.22Å; F402-S424 WeakPolarHBondContact O-CA 3.37Å; F402-S424 WeakPolarHBondContact O-CB 3.4Å; P422-S424 VanDerWaalsContact C-N 3.34Å
425	H	98	Very high	97.1	Very high	95 Å²	95	65.9 Å²	65.9	44%	0.44	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	158.9	178.6	-155.5	64.7	0	0	0	113.3	H401 F402 P422	H401-H425 PolarHBondContact CD2-O 2.84Å; H401-H425 VanDerWaalsContact CD2-O 3.32Å; F402-H425 HydrophobicContact CD1-CB 4.2Å; F402-H425 WeakPolarHBondContact CD1-O 3.42Å; F402-H425 HydrophobicContact CE1-CB 3.43Å; F402-H425 VanDerWaalsContact CE1-CB 3.43Å; F402-H425 HydrophobicContact CZ-CB 3.72Å; F402-H425 PolarHBondContact N-O 2.85Å; F402-H425 PolarHBondContact O-N 2.91Å; P422-H425 HydrophobicContact CG-CB 4.28Å
426	K	97.8	Very high	97.2	Very high	157 Å²	157	64.9 Å²	64.9	68%	0.683	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.2	171.1	-68.6	-177.1	-179.9	177.5	0	110.2	V400 H401	V400-K426 CarbonylContact O-C 3.52Å; V400-K426 VanDerWaalsContact O-CA 3.3Å; V400-K426 WeakPolarHBondContact O-CA 3.47Å; H401-K426 HydrophobicContact CB-CG 4.11Å; H401-K426 VanDerWaalsContact CD2-CG 3.46Å; H401-K426 WeakPolarHBondContact CD2-CG 3.45Å
427	I	97.9	Very high	97.4	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.015	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.3	-177.8	-45.3	179.3	0	0	0	109	I392 N394 P399 V400 F402 E431 C433	I392-I427 HydrophobicContact CB-CD1 3.9Å; I392-I427 HydrophobicContact CG2-CD1 3.52Å; N394-I427 HydrophobicContact CB-CB 4.17Å; N394-I427 HydrophobicContact CB-CG2 3.73Å; N394-I427 PolarHBondContact ND2-O 2.87Å; P399-I427 WeakPolarHBondContact CA-O 3.45Å; V400-I427 PolarHBondContact N-O 2.86Å; V400-I427 PolarHBondContact O-N 2.86Å; F402-I427 HydrophobicContact CD1-CD1 3.83Å; F402-I427 HydrophobicContact CD1-CG1 4.2Å; F402-I427 HydrophobicContact CE1-CD1 3.89Å; F402-I427 HydrophobicContact CE1-CG1 4.25Å; I427-E431 HydrophobicContact CG2-CB 3.92Å; I427-E431 VanDerWaalsContact CG2-O 3.29Å; I427-E431 WeakPolarHBondContact CG2-O 3.49Å; I427-C433 HydrophobicContact CD1-CB 3.52Å; I427-C433 HydrophobicContact CG1-CB 3.86Å
428	K	97.5	Very high	97.5	Very high	133 Å²	133	61.3 Å²	61.3	58%	0.578	33%	0.331	S	S	*	.			trans	-70.9	163.6	174.2	-57.9	177.7	-173.4	162.8	0	110.7	N394 G430 E431	N394-K428 WeakPolarHBondContact CB-O 3.27Å; N394-K428 PolarHBondContact ND2-O 3.1Å; K428-G430 PolarHBondContact O-N 3.27Å; K428-E431 HydrophobicContact CB-CB 4.46Å; K428-E431 HydrophobicContact CB-CG 4.11Å; K428-E431 WeakPolarHBondContact CB-OE2 3.45Å; K428-E431 WeakPolarHBondContact CG-OE2 3.49Å; K428-E431 WeakPolarHBondContact O-CB 3.48Å; K428-E431 PolarHBondContact O-N 3.36Å; K428-E431 VanDerWaalsContact O-N 3.08Å
429	V	96.4	Very high	97.6	Very high	76 Å²	76	61 Å²	61	46%	0.461	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	128.2	179	177.3	0	0	0	0	110.3	N394 G396 V398 E431	N394-V429 PolarHBondContact ND2-N 2.85Å; G396-V429 WeakPolarHBondContact O-CG1 3.47Å; V398-V429 VanDerWaalsContact C-CG2 3.42Å; V429-E431 PolarHBondContact O-N 2.91Å
430	G	94.9	Very high	97.6	Very high	59 Å²	59	59.5 Å²	59.5	61%	0.608	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-8.2	-179.1	0	0	0	0	0	115.5	N394 K428	N394-G430 WeakPolarHBondContact O-CA 3.48Å; N394-G430 PolarHBondContact O-N 3.41Å; N394-G430 VanDerWaalsContact O-N 3.11Å; K428-G430 PolarHBondContact O-N 3.27Å
431	E	97.9	Very high	97.5	Very high	93 Å²	93	59.1 Å²	59.1	44%	0.435	32%	0.32	S	S	.	.			trans	-83.6	167.4	176.4	-69.7	-175.6	170.5	0	0	112.1	N394 I427 K428 V429	N394-E431 PolarHBondContact N-O 2.87Å; I427-E431 HydrophobicContact CG2-CB 3.92Å; I427-E431 VanDerWaalsContact CG2-O 3.29Å; I427-E431 WeakPolarHBondContact CG2-O 3.49Å; K428-E431 HydrophobicContact CB-CB 4.46Å; K428-E431 HydrophobicContact CB-CG 4.11Å; K428-E431 WeakPolarHBondContact CB-OE2 3.45Å; K428-E431 WeakPolarHBondContact CG-OE2 3.49Å; K428-E431 WeakPolarHBondContact O-CB 3.48Å; K428-E431 PolarHBondContact O-N 3.36Å; K428-E431 VanDerWaalsContact O-N 3.08Å; V429-E431 PolarHBondContact O-N 2.91Å
432	K	97.9	Very high	97.4	Very high	144 Å²	144	57.9 Å²	57.9	63%	0.626	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.3	179.2	-57.5	-175.7	178.7	179.9	0	110.5	T391 I392 T393	T391-K432 HydrophobicContact CG2-CB 4.23Å; T391-K432 HydrophobicContact CG2-CD 3.94Å; T391-K432 HydrophobicContact CG2-CG 4.43Å; I392-K432 CarbonylContact O-C 3.57Å; I392-K432 VanDerWaalsContact O-CA 3.27Å; I392-K432 WeakPolarHBondContact O-CA 3.37Å; T393-K432 HydrophobicContact CG2-CG 3.95Å
433	C	98.2	Very high	97.3	Very high	10 Å²	10	58.5 Å²	58.5	7%	0.068	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.9	165.9	-174.3	0	0	0	0	109	I392 F402 I427	I392-C433 HydrophobicContact CB-CB 4.49Å; I392-C433 PolarHBondContact N-O 2.72Å; I392-C433 PolarHBondContact O-N 2.54Å; F402-C433 HydrophobicContact CE1-CB 4.06Å; I427-C433 HydrophobicContact CD1-CB 3.52Å; I427-C433 HydrophobicContact CG1-CB 3.86Å
434	L	98.5	Very high	97.1	Very high	113 Å²	113	63 Å²	63	59%	0.592	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.9	171.3	-56.8	-179.1	0	0	0	108.3	T389 T391 P422	T389-L434 HydrophobicContact CG2-CB 4.09Å; T389-L434 HydrophobicContact CG2-CD2 4.17Å; T391-L434 HydrophobicContact CG2-CD2 4Å; T391-L434 WeakPolarHBondContact OG1-CD2 3.33Å; P422-L434 WeakPolarHBondContact CD-O 3.23Å
435	V	98.3	Very high	97	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122	175.4	175.9	0	0	0	0	108	T389 L390 I392 F402 F404 V420 T421 P422 V437	T389-V435 WeakPolarHBondContact CA-O 3.48Å; L390-V435 HydrophobicContact CB-CB 4.17Å; L390-V435 PolarHBondContact N-O 3.42Å; L390-V435 PolarHBondContact O-N 3.14Å; I392-V435 HydrophobicContact CD1-CG2 3.59Å; I392-V435 HydrophobicContact CG1-CG2 4.43Å; F402-V435 HydrophobicContact CE2-CG2 4.23Å; F402-V435 HydrophobicContact CZ-CG2 3.78Å; F404-V435 HydrophobicContact CE2-CG1 3.99Å; F404-V435 HydrophobicContact CZ-CG1 4.32Å; V420-V435 HydrophobicContact CG1-CG1 3.39Å; T421-V435 CarbonylContact O-C 3.39Å; T421-V435 WeakPolarHBondContact O-CA 3.46Å; P422-V435 HydrophobicContact CG-CG2 4.36Å; V435-V437 HydrophobicContact CG1-CG2 4.48Å
436	D	98.2	Very high	96.8	Very high	55 Å²	55	55.8 Å²	55.8	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.7	173.8	-164.3	53.2	0	0	0	109.6	C387 V420 T421	C387-D436 WeakPolarHBondContact CB-OD1 3.26Å; C387-D436 PolarHBondContact SG-OD2 2.79Å; V420-D436 WeakPolarHBondContact CA-O 3.36Å; T421-D436 PolarHBondContact N-O 3.45Å; T421-D436 PolarHBondContact O-N 3.25Å
437	V	98.1	Very high	96.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	103.8	175.8	-177	0	0	0	0	106.8	F375 F377 C387 Q388 L390 L418 V435 V474	F375-V437 HydrophobicContact CD2-CG1 4.48Å; F375-V437 HydrophobicContact CE1-CG2 4.5Å; F375-V437 HydrophobicContact CE2-CG2 4.03Å; F375-V437 HydrophobicContact CG-CG1 4.5Å; F375-V437 HydrophobicContact CZ-CG2 4.03Å; F377-V437 HydrophobicContact CZ-CG1 4.48Å; F377-V437 WeakPolarHBondContact CZ-O 3.34Å; C387-V437 WeakPolarHBondContact CA-O 3.49Å; Q388-V437 PolarHBondContact N-O 3.2Å; Q388-V437 WeakPolarHBondContact O-CB 3.46Å; Q388-V437 PolarHBondContact O-N 3.34Å; L390-V437 HydrophobicContact CB-CG2 4.39Å; L418-V437 HydrophobicContact CD1-CG1 3.72Å; V435-V437 HydrophobicContact CG1-CG2 4.48Å; V437-V474 HydrophobicContact CG1-CG2 4.44Å
438	Q	98	Very high	96.4	Very high	42 Å²	42	50.9 Å²	50.9	20%	0.196	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128	-175.4	178.6	-178.5	94.1	0	0	110.9	P385 Q386 C387 L418 L419	P385-Q438 HydrophobicContact CB-CG 4.09Å; Q386-Q438 CarbonylContact O-C 3.54Å; Q386-Q438 VanDerWaalsContact O-CA 3.29Å; Q386-Q438 WeakPolarHBondContact O-CA 3.46Å; C387-Q438 PolarHBondContact SG-NE2 3.26Å; L418-Q438 WeakPolarHBondContact CA-O 3.34Å; L419-Q438 HydrophobicContact CB-CB 4.29Å; L419-Q438 PolarHBondContact N-O 3.36Å; L419-Q438 PolarHBondContact O-N 3.43Å
439	V	97.8	Very high	96.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127	166.3	176.4	0	0	0	0	109	F377 V380 P385 Q386 W417 L418 V441 V474 A476	F377-V439 HydrophobicContact CD1-CB 4.43Å; F377-V439 HydrophobicContact CD1-CG2 4.19Å; F377-V439 HydrophobicContact CD2-CG2 3.56Å; F377-V439 HydrophobicContact CE1-CG2 4.22Å; F377-V439 HydrophobicContact CE2-CG2 3.6Å; F377-V439 HydrophobicContact CG-CB 4.43Å; F377-V439 HydrophobicContact CG-CG2 3.88Å; F377-V439 HydrophobicContact CZ-CG2 3.94Å; V380-V439 HydrophobicContact CB-CG1 4.17Å; V380-V439 HydrophobicContact CG1-CB 4.27Å; V380-V439 HydrophobicContact CG1-CG1 3.81Å; V380-V439 HydrophobicContact CG2-CG1 4.24Å; P385-V439 WeakPolarHBondContact CA-O 3.34Å; Q386-V439 PolarHBondContact N-O 2.85Å; Q386-V439 PolarHBondContact O-N 3.1Å; W417-V439 HydrophobicContact CE3-CG1 4.04Å; W417-V439 HydrophobicContact CE3-CG2 4.19Å; W417-V439 HydrophobicContact CZ3-CG2 4.01Å; W417-V439 WeakPolarHBondContact O-CA 3.41Å; L418-V439 HydrophobicContact CD1-CG2 4.09Å; V439-V441 HydrophobicContact CG1-CG2 4.46Å; V439-V474 HydrophobicContact CG2-CG1 4.48Å; V439-A476 HydrophobicContact CG1-CB 4.22Å; V439-A476 HydrophobicContact CG2-CB 4.49Å
440	L	97	Very high	95.6	Very high	61 Å²	61	45.8 Å²	45.8	32%	0.319	24%	0.239	S	C	.	.			trans	-135.8	115.6	174.2	177.8	64	0	0	0	109.5	P385 W417	P385-L440 HydrophobicContact CB-CD1 4.17Å; W417-L440 WeakPolarHBondContact CA-O 3.4Å; W417-L440 PolarHBondContact O-N 2.96Å
441	V	96.5	Very high	95.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-92.2	107.1	177.8	179.6	0	0	0	0	109.5	V380 L383 V439 T445 V446 L456 Y478	V380-V441 HydrophobicContact CB-CG2 4.35Å; V380-V441 HydrophobicContact CG2-CG2 3.92Å; L383-V441 PolarHBondContact N-O 2.87Å; V439-V441 HydrophobicContact CG1-CG2 4.46Å; V441-T445 HydrophobicContact CG1-CG2 3.95Å; V441-V446 HydrophobicContact CG1-CG2 3.56Å; V441-L456 HydrophobicContact CG2-CD1 3.82Å; V441-L456 HydrophobicContact CG2-CD2 4.49Å; V441-Y478 HydrophobicContact CB-CD2 4.38Å; V441-Y478 HydrophobicContact CB-CE2 4.35Å; V441-Y478 HydrophobicContact CG1-CD2 3.87Å; V441-Y478 HydrophobicContact CG1-CE2 3.63Å; V441-Y478 HydrophobicContact CG2-CD2 4.18Å
442	D	95.4	Very high	94.6	Very high	51 Å²	51	47.1 Å²	47.1	27%	0.273	25%	0.247	S	C	.	.			trans	-96.7	-177.4	176.2	74.7	-3.5	0	0	0	112.6	L383 E444 T445 V446	L383-D442 HydrophobicContact CD2-CB 4.3Å; D442-E444 PolarHBondContact O-N 3.49Å; D442-E444 PolarHBondContact OD1-N 2.83Å; D442-T445 PolarHBondContact O-N 2.85Å; D442-T445 VanDerWaalsContact OD1-CB 3.24Å; D442-T445 WeakPolarHBondContact OD1-CB 3.26Å; D442-T445 PolarHBondContact OD1-N 2.9Å; D442-T445 PolarHBondContact OD1-OG1 3.08Å; D442-V446 WeakPolarHBondContact O-CG2 3.29Å; D442-V446 PolarHBondContact O-N 2.86Å
443	K	94.5	Very high	94.1	Very high	51 Å²	51	47.9 Å²	47.9	22%	0.222	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-39.9	-176.4	63.5	-174.1	177.3	-168.7	0	112.7	F382 T445 V446 W447 D584	F382-K443 HydrophobicContact CE2-CB 4.14Å; F382-K443 HydrophobicContact CZ-CB 4.48Å; K443-T445 VanDerWaalsContact C-N 3.33Å; K443-T445 PolarHBondContact O-N 3.17Å; K443-V446 PolarHBondContact O-N 3.01Å; K443-W447 HydrophobicContact CB-CH2 4.5Å; K443-W447 HydrophobicContact CB-CZ2 3.86Å; K443-W447 HydrophobicContact CD-CH2 3.95Å; K443-W447 HydrophobicContact CD-CZ2 3.81Å; K443-W447 HydrophobicContact CG-CH2 3.94Å; K443-W447 HydrophobicContact CG-CZ2 3.78Å; K443-W447 VanDerWaalsContact O-CD2 3.24Å; K443-W447 PolarHBondContact O-N 2.84Å; K443-W447 PolarHBondContact O-NE1 2.84Å; K443-D584 VanDerWaalsContact CD-O 3.26Å; K443-D584 WeakPolarHBondContact CD-O 3.36Å; K443-D584 IonicContact NZ-OD1 2.96Å; K443-D584 PolarHBondContact NZ-OD1 3.16Å; K443-D584 IonicContact NZ-OD2 3.71Å; K443-D584 PolarHBondContact NZ-OD2 3.25Å
444	E	93.6	Very high	93.7	Very high	116 Å²	116	49.1 Å²	49.1	54%	0.542	25%	0.251	S	S	.	.	H	α-helix	trans	-67.1	-39.1	180	-62.6	-171.1	174.1	0	0	111.2	D442 W447 A448	D442-E444 PolarHBondContact O-N 3.49Å; D442-E444 PolarHBondContact OD1-N 2.83Å; E444-W447 HydrophobicContact CB-CE3 4.32Å; E444-W447 HydrophobicContact CG-CE3 4.07Å; E444-W447 HydrophobicContact CG-CH2 4.45Å; E444-W447 HydrophobicContact CG-CZ3 3.77Å; E444-W447 PolarHBondContact O-N 2.82Å; E444-A448 WeakPolarHBondContact O-CB 3.4Å; E444-A448 PolarHBondContact O-N 3.23Å
445	T	94.9	Very high	93.3	Very high	7 Å²	7	53 Å²	53	4%	0.043	26%	0.257	C	S	.	.	H	α-helix	trans	-62.4	-46.1	173.7	-55.2	0	0	0	0	110.7	W417 V441 D442 K443 W447 A448 I449 L456	W417-T445 HydrophobicContact CB-CG2 3.72Å; W417-T445 HydrophobicContact CG-CG2 4.1Å; V441-T445 HydrophobicContact CG1-CG2 3.95Å; D442-T445 PolarHBondContact O-N 2.85Å; D442-T445 VanDerWaalsContact OD1-CB 3.24Å; D442-T445 WeakPolarHBondContact OD1-CB 3.26Å; D442-T445 PolarHBondContact OD1-N 2.9Å; D442-T445 PolarHBondContact OD1-OG1 3.08Å; K443-T445 VanDerWaalsContact C-N 3.33Å; K443-T445 PolarHBondContact O-N 3.17Å; T445-W447 PolarHBondContact O-N 2.95Å; T445-A448 PolarHBondContact O-N 3.29Å; T445-I449 HydrophobicContact CG2-CD1 3.86Å; T445-I449 HydrophobicContact CG2-CG1 4.4Å; T445-I449 VanDerWaalsContact O-CG1 3.27Å; T445-I449 WeakPolarHBondContact O-CG1 3.41Å; T445-I449 PolarHBondContact O-N 2.94Å; T445-L456 HydrophobicContact CG2-CD2 3.88Å
446	V	94	Very high	93.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-44.2	176.8	176	0	0	0	0	111.5	F382 V441 D442 K443 A448 I449 N450 Y478	F382-V446 HydrophobicContact CD2-CG2 3.68Å; F382-V446 HydrophobicContact CE2-CG2 4.32Å; V441-V446 HydrophobicContact CG1-CG2 3.56Å; D442-V446 WeakPolarHBondContact O-CG2 3.29Å; D442-V446 PolarHBondContact O-N 2.86Å; K443-V446 PolarHBondContact O-N 3.01Å; V446-A448 VanDerWaalsContact C-N 3.33Å; V446-A448 PolarHBondContact O-N 3.21Å; V446-I449 PolarHBondContact O-N 3.17Å; V446-N450 VanDerWaalsContact CG1-ND2 3.33Å; V446-N450 WeakPolarHBondContact CG1-ND2 3.37Å; V446-N450 WeakPolarHBondContact O-CB 3.41Å; V446-N450 VanDerWaalsContact O-CG 3.23Å; V446-N450 PolarHBondContact O-N 2.88Å; V446-N450 PolarHBondContact O-ND2 3.45Å; V446-Y478 HydrophobicContact CG1-CE1 4.47Å; V446-Y478 HydrophobicContact CG2-CE1 4.38Å; V446-Y478 HydrophobicContact CG2-CE2 4.16Å; V446-Y478 VanDerWaalsContact CG2-OH 3.22Å; V446-Y478 WeakPolarHBondContact CG2-OH 3.45Å
447	W	93.4	Very high	93	Very high	46 Å²	46	54.2 Å²	54.2	17%	0.174	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-46.3	176.5	-54.3	-23.6	0	0	0	111.2	K443 E444 T445 I449 N450 E451 S585 L586 P587	K443-W447 HydrophobicContact CB-CH2 4.5Å; K443-W447 HydrophobicContact CB-CZ2 3.86Å; K443-W447 HydrophobicContact CD-CH2 3.95Å; K443-W447 HydrophobicContact CD-CZ2 3.81Å; K443-W447 HydrophobicContact CG-CH2 3.94Å; K443-W447 HydrophobicContact CG-CZ2 3.78Å; K443-W447 VanDerWaalsContact O-CD2 3.24Å; K443-W447 PolarHBondContact O-N 2.84Å; K443-W447 PolarHBondContact O-NE1 2.84Å; E444-W447 HydrophobicContact CB-CE3 4.32Å; E444-W447 HydrophobicContact CG-CE3 4.07Å; E444-W447 HydrophobicContact CG-CH2 4.45Å; E444-W447 HydrophobicContact CG-CZ3 3.77Å; E444-W447 PolarHBondContact O-N 2.82Å; T445-W447 PolarHBondContact O-N 2.95Å; W447-I449 PolarHBondContact O-N 2.77Å; W447-N450 PolarHBondContact O-N 2.68Å; W447-E451 WeakPolarHBondContact O-CB 3.43Å; W447-E451 VanDerWaalsContact O-CG 3.29Å; W447-E451 WeakPolarHBondContact O-CG 3.36Å; W447-E451 PolarHBondContact O-N 2.95Å; W447-S585 PolarHBondContact NE1-O 2.92Å; W447-L586 WeakPolarHBondContact CZ2-O 3.38Å; W447-P587 HydrophobicContact CG-CB 4.31Å
448	A	92.8	Very high	92.9	Very high	10 Å²	10	54.8 Å²	54.8	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-37.8	179.7	0	0	0	0	0	113	E444 T445 V446 G452 R453 E454	E444-A448 WeakPolarHBondContact O-CB 3.4Å; E444-A448 PolarHBondContact O-N 3.23Å; T445-A448 PolarHBondContact O-N 3.29Å; V446-A448 VanDerWaalsContact C-N 3.33Å; V446-A448 PolarHBondContact O-N 3.21Å; A448-G452 PolarHBondContact O-N 3.19Å; A448-R453 PolarHBondContact O-N 3.16Å; A448-E454 HydrophobicContact CB-CB 3.66Å; A448-E454 PolarHBondContact O-N 3.31Å; A448-E454 VanDerWaalsContact O-N 3.1Å
449	I	91	Very high	92.9	Very high	35 Å²	35	56.4 Å²	56.4	18%	0.179	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-48.4	173.6	-69.6	166.7	0	0	0	110.3	T445 V446 W447 E451 G452 E454 L456 Y478	T445-I449 HydrophobicContact CG2-CD1 3.86Å; T445-I449 HydrophobicContact CG2-CG1 4.4Å; T445-I449 VanDerWaalsContact O-CG1 3.27Å; T445-I449 WeakPolarHBondContact O-CG1 3.41Å; T445-I449 PolarHBondContact O-N 2.94Å; V446-I449 PolarHBondContact O-N 3.17Å; W447-I449 PolarHBondContact O-N 2.77Å; I449-E451 VanDerWaalsContact C-N 3.33Å; I449-E451 PolarHBondContact O-N 3.13Å; I449-G452 PolarHBondContact O-N 2.83Å; I449-E454 HydrophobicContact CG1-CB 4.44Å; I449-L456 HydrophobicContact CD1-CD1 4.23Å; I449-L456 HydrophobicContact CD1-CD2 3.91Å; I449-L456 HydrophobicContact CD1-CG 3.95Å; I449-Y478 HydrophobicContact CD1-CD1 4.02Å; I449-Y478 HydrophobicContact CD1-CG 3.99Å; I449-Y478 HydrophobicContact CG2-CD1 4.04Å
450	N	85.9	Confident	92.9	Very high	67 Å²	67	56.4 Å²	56.4	36%	0.358	28%	0.279	S	S	.	.	H	α-helix	trans	-66.1	-35.2	-176.9	-70.8	-21.3	0	0	0	112.3	V446 W447 G452 L485	V446-N450 VanDerWaalsContact CG1-ND2 3.33Å; V446-N450 WeakPolarHBondContact CG1-ND2 3.37Å; V446-N450 WeakPolarHBondContact O-CB 3.41Å; V446-N450 VanDerWaalsContact O-CG 3.23Å; V446-N450 PolarHBondContact O-N 2.88Å; V446-N450 PolarHBondContact O-ND2 3.45Å; W447-N450 PolarHBondContact O-N 2.68Å; N450-G452 PolarHBondContact O-N 2.73Å; N450-L485 WeakPolarHBondContact ND2-CD2 3.47Å
451	E	86.7	Confident	92.9	Very high	116 Å²	116	54.1 Å²	54.1	54%	0.542	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.1	173.6	-69.2	172.1	-170.5	0	0	113.1	W447 I449 R453	W447-E451 WeakPolarHBondContact O-CB 3.43Å; W447-E451 VanDerWaalsContact O-CG 3.29Å; W447-E451 WeakPolarHBondContact O-CG 3.36Å; W447-E451 PolarHBondContact O-N 2.95Å; I449-E451 VanDerWaalsContact C-N 3.33Å; I449-E451 PolarHBondContact O-N 3.13Å; E451-R453 HydrophobicContact CB-CG 4.23Å; E451-R453 PolarHBondContact O-N 3.35Å; E451-R453 IonicContact OE2-CZ 2.78Å; E451-R453 IonicContact OE2-NE 3.64Å; E451-R453 PolarHBondContact OE2-NE 2.87Å; E451-R453 IonicContact OE2-NH2 3.69Å; E451-R453 PolarHBondContact OE2-NH2 3.37Å
452	G	85.4	Confident	93	Very high	65 Å²	65	54 Å²	54	67%	0.67	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	11.8	-178.2	0	0	0	0	0	114.5	A448 I449 N450	A448-G452 PolarHBondContact O-N 3.19Å; I449-G452 PolarHBondContact O-N 2.83Å; N450-G452 PolarHBondContact O-N 2.73Å
453	R	88	Confident	93.1	Very high	160 Å²	160	54 Å²	54	60%	0.604	27%	0.265	S	S	*	.	S	Bend	trans	-83.2	-19.6	179.9	-68.5	-168.4	-67.6	99.5	0.7	113.6	A448 E451	A448-R453 PolarHBondContact O-N 3.16Å; E451-R453 HydrophobicContact CB-CG 4.23Å; E451-R453 PolarHBondContact O-N 3.35Å; E451-R453 IonicContact OE2-CZ 2.78Å; E451-R453 IonicContact OE2-NE 3.64Å; E451-R453 PolarHBondContact OE2-NE 2.87Å; E451-R453 IonicContact OE2-NH2 3.69Å; E451-R453 PolarHBondContact OE2-NH2 3.37Å
454	E	89.5	Confident	93.2	Very high	35 Å²	35	51.6 Å²	51.6	16%	0.164	26%	0.255	C	S	.	.			trans	-131.7	143.2	-176.6	-167.4	59.9	-78.7	0	0	112.3	R415 A448 I449	R415-E454 IonicContact NH1-OE1 3.03Å; R415-E454 PolarHBondContact NH1-OE1 3.02Å; R415-E454 IonicContact NH1-OE2 3.57Å; R415-E454 PolarHBondContact NH1-OE2 2.91Å; A448-E454 HydrophobicContact CB-CB 3.66Å; A448-E454 PolarHBondContact O-N 3.31Å; A448-E454 VanDerWaalsContact O-N 3.1Å; I449-E454 HydrophobicContact CG1-CB 4.44Å
455	R	90.3	Very high	93.2	Very high	195 Å²	195	50.2 Å²	50.2	74%	0.736	25%	0.251	S	S	*	.			trans	-121.3	145.2	166.8	-66.7	-173.6	177.3	-161.9	-0.5	107.6	T457	R455-T457 PolarHBondContact O-N 3.04Å
456	L	95.1	Very high	93	Very high	9 Å²	9	57.5 Å²	57.5	5%	0.047	28%	0.284	C	S	.	.	S	Bend	trans	-79.7	60.4	177.5	-60.9	-173.3	0	0	0	111	V380 W417 V441 T445 I449 M475 A476	V380-L456 HydrophobicContact CG2-CD1 3.43Å; V380-L456 VanDerWaalsContact CG2-CD1 3.43Å; W417-L456 HydrophobicContact CB-CD2 4.22Å; W417-L456 HydrophobicContact CD2-CD2 3.6Å; W417-L456 HydrophobicContact CE3-CD2 4.21Å; W417-L456 HydrophobicContact CG-CD2 3.57Å; W417-L456 HydrophobicContact CZ2-CB 4.44Å; W417-L456 HydrophobicContact CZ2-CD2 4.49Å; V441-L456 HydrophobicContact CG2-CD1 3.82Å; V441-L456 HydrophobicContact CG2-CD2 4.49Å; T445-L456 HydrophobicContact CG2-CD2 3.88Å; I449-L456 HydrophobicContact CD1-CD1 4.23Å; I449-L456 HydrophobicContact CD1-CD2 3.91Å; I449-L456 HydrophobicContact CD1-CG 3.95Å; L456-M475 CarbonylContact O-C 3.59Å; L456-M475 WeakPolarHBondContact O-CA 3.47Å; L456-A476 HydrophobicContact CB-CB 3.88Å; L456-A476 WeakPolarHBondContact CB-O 3.2Å; L456-A476 HydrophobicContact CD1-CB 4.05Å; L456-A476 PolarHBondContact O-N 2.94Å
457	T	95.8	Very high	92.7	Very high	72 Å²	72	58.9 Å²	58.9	44%	0.442	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	130	177	55.8	0	0	0	0	109.1	R455 V474 M475	R455-T457 PolarHBondContact O-N 3.04Å; T457-V474 CarbonylContact C-O 3.55Å; T457-V474 VanDerWaalsContact CA-O 3.27Å; T457-V474 WeakPolarHBondContact CA-O 3.42Å; T457-M475 HydrophobicContact CG2-CB 4.48Å; T457-M475 HydrophobicContact CG2-CG 4.1Å
458	D	95.9	Very high	92.6	Very high	11 Å²	11	61.9 Å²	61.9	6%	0.059	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	161.7	177.2	-162.5	10	0	0	0	111	K407 C414 R415 W417 L418 V474	K407-D458 WeakPolarHBondContact CE-OD1 3.29Å; K407-D458 IonicContact NZ-OD1 2.69Å; K407-D458 PolarHBondContact NZ-OD1 3.28Å; K407-D458 IonicContact NZ-OD2 3.1Å; C414-D458 VanDerWaalsContact CA-OD2 3.29Å; C414-D458 WeakPolarHBondContact CA-OD2 3.37Å; R415-D458 HydrophobicContact CG-CB 3.92Å; R415-D458 WeakPolarHBondContact CG-OD2 3.5Å; R415-D458 PolarHBondContact N-OD2 2.81Å; W417-D458 HydrophobicContact CH2-CB 3.9Å; W417-D458 HydrophobicContact CZ2-CB 3.9Å; L418-D458 HydrophobicContact CD2-CB 4.18Å; D458-V474 PolarHBondContact N-O 3.36Å; D458-V474 PolarHBondContact O-N 3.33Å
459	I	96.8	Very high	92.8	Very high	77 Å²	77	65 Å²	65	40%	0.395	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.4	170.7	-60.2	175	0	0	0	107.8	K407 F471 I472	K407-I459 PolarHBondContact NZ-O 2.85Å; I459-F471 HydrophobicContact CG2-CB 4.1Å; I459-F471 HydrophobicContact CG2-CD1 4.17Å; I459-I472 WeakPolarHBondContact CA-O 3.49Å
460	L	97.7	Very high	93.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.1	170.9	-60.7	174.5	0	0	0	109.1	F404 F413 C414 L418 V420 I472 V474	F404-L460 HydrophobicContact CD1-CB 3.88Å; F404-L460 HydrophobicContact CE1-CB 3.79Å; F404-L460 HydrophobicContact CE1-CD1 4.09Å; F404-L460 HydrophobicContact CE1-CG 4.48Å; F413-L460 HydrophobicContact CD2-CD2 4.38Å; C414-L460 HydrophobicContact CB-CD2 3.58Å; L418-L460 HydrophobicContact CD2-CD1 4.22Å; L418-L460 HydrophobicContact CD2-CD2 3.78Å; L418-L460 HydrophobicContact CD2-CG 4.08Å; V420-L460 HydrophobicContact CG2-CD1 3.68Å; V420-L460 HydrophobicContact CG2-CD2 3.9Å; V420-L460 HydrophobicContact CG2-CG 4.47Å; L460-I472 HydrophobicContact CB-CB 4.21Å; L460-I472 PolarHBondContact N-O 2.72Å; L460-I472 PolarHBondContact O-N 2.93Å; L460-V474 HydrophobicContact CD1-CG2 3.91Å; L460-V474 HydrophobicContact CG-CG2 4.15Å
461	V	97.8	Very high	93.6	Very high	12 Å²	12	67.3 Å²	67.3	7%	0.073	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	107.9	175.3	-173.9	0	0	0	0	108.4	F404 S405 K407 D469 F470 F471	F404-V461 CarbonylContact C-O 3.53Å; F404-V461 VanDerWaalsContact CA-O 3.27Å; F404-V461 WeakPolarHBondContact CA-O 3.33Å; S405-V461 PolarHBondContact N-O 2.98Å; S405-V461 WeakPolarHBondContact OG-CG1 2.93Å; K407-V461 HydrophobicContact CG-CG2 4.16Å; V461-D469 HydrophobicContact CG1-CB 4.34Å; V461-F470 WeakPolarHBondContact CA-O 2.99Å; V461-F471 HydrophobicContact CG1-CE1 4.14Å; V461-F471 HydrophobicContact CG2-CD1 3.98Å; V461-F471 HydrophobicContact CG2-CE1 3.97Å
462	L	98.1	Very high	94.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	108.9	173.5	-178.6	150.9	0	0	0	108.6	L370 L390 I392 F402 F404 L464 D469 F470 I472	L370-L462 HydrophobicContact CD2-CD1 4.24Å; L390-L462 HydrophobicContact CD2-CD1 4.27Å; I392-L462 HydrophobicContact CD1-CD1 3.54Å; I392-L462 HydrophobicContact CG1-CD1 4.1Å; F402-L462 HydrophobicContact CB-CD2 4.17Å; F402-L462 HydrophobicContact CB-CG 4.35Å; F402-L462 HydrophobicContact CD2-CD1 4Å; F402-L462 HydrophobicContact CD2-CG 4.13Å; F402-L462 HydrophobicContact CE2-CD1 4.48Å; F402-L462 HydrophobicContact CG-CD1 4.47Å; F404-L462 HydrophobicContact CD1-CB 4.23Å; F404-L462 HydrophobicContact CE1-CB 3.91Å; F404-L462 HydrophobicContact CE1-CD1 4.23Å; F404-L462 HydrophobicContact CE2-CD1 4.34Å; F404-L462 HydrophobicContact CZ-CB 4.39Å; F404-L462 HydrophobicContact CZ-CD1 3.86Å; L462-L464 HydrophobicContact CD2-CD2 3.8Å; L462-D469 CarbonylContact O-C 3.48Å; L462-D469 WeakPolarHBondContact O-CA 3.44Å; L462-F470 HydrophobicContact CB-CB 4.29Å; L462-F470 HydrophobicContact CD2-CB 4.49Å; L462-F470 HydrophobicContact CD2-CD2 3.68Å; L462-F470 HydrophobicContact CD2-CE2 4.24Å; L462-F470 HydrophobicContact CD2-CG 4.41Å; L462-F470 PolarHBondContact N-O 2.99Å; L462-F470 PolarHBondContact O-N 3.41Å; L462-I472 HydrophobicContact CB-CD1 4.15Å; L462-I472 HydrophobicContact CD1-CD1 4.39Å
463	H	97.5	Very high	94.8	Very high	51 Å²	51	60.9 Å²	60.9	24%	0.236	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.2	-179.9	178.9	62	0	0	0	110.6	F402 E403 D469	F402-H463 CarbonylContact C-O 3.58Å; F402-H463 WeakPolarHBondContact CA-O 3.3Å; E403-H463 HydrophobicContact CG-CB 4.25Å; E403-H463 PolarHBondContact N-O 3.04Å; E403-H463 PolarHBondContact O-N 3Å; E403-H463 IonicContact OE1-CD2 2.84Å; H463-D469 WeakPolarHBondContact CA-OD1 3.24Å; H463-D469 IonicContact CE1-OD1 2.69Å; H463-D469 IonicContact CG-OD1 3.76Å; H463-D469 IonicContact ND1-OD1 3.44Å; H463-D469 PolarHBondContact ND1-OD1 3.31Å
464	L	96.8	Very high	95.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.1	165.5	-59	-168.6	0	0	0	109.5	P366 V368 V400 F402 L462 Q466 G467 K468 F470	P366-L464 HydrophobicContact CB-CB 4.47Å; P366-L464 HydrophobicContact CB-CD1 4.32Å; P366-L464 WeakPolarHBondContact O-CD1 3.34Å; V368-L464 HydrophobicContact CG1-CD1 4.12Å; V368-L464 HydrophobicContact CG1-CD2 4.07Å; V368-L464 HydrophobicContact CG2-CD1 4.08Å; V368-L464 HydrophobicContact CG2-CD2 4.09Å; V400-L464 HydrophobicContact CG1-CD1 4.24Å; V400-L464 HydrophobicContact CG1-CD2 3.6Å; V400-L464 HydrophobicContact CG1-CG 4.36Å; F402-L464 HydrophobicContact CB-CD2 3.7Å; L462-L464 HydrophobicContact CD2-CD2 3.8Å; L464-Q466 PolarHBondContact O-N 3.15Å; L464-G467 CarbonylContact O-C 3.54Å; L464-G467 WeakPolarHBondContact O-CA 3.41Å; L464-G467 PolarHBondContact O-N 2.87Å; L464-K468 WeakPolarHBondContact CB-O 3.47Å; L464-K468 HydrophobicContact CD1-CG 4.48Å; L464-K468 WeakPolarHBondContact CG-O 3.49Å; L464-K468 PolarHBondContact N-O 3.34Å; L464-F470 HydrophobicContact CD1-CE2 3.97Å; L464-F470 HydrophobicContact CG-CE2 4.05Å
465	N	94.3	Very high	95.6	Very high	86 Å²	86	55.2 Å²	55.2	46%	0.46	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	124.7	175.8	-174.7	13.8	0	0	0	110.4	P366 H401 G467	P366-N465 WeakPolarHBondContact CG-O 3.34Å; H401-N465 HydrophobicContact CB-CB 4.3Å; H401-N465 PolarHBondContact O-N 2.9Å; N465-G467 PolarHBondContact O-N 2.95Å
466	Q	89.7	Confident	95.9	Very high	161 Å²	161	46.5 Å²	46.5	75%	0.752	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	21.7	-172.1	-56.1	-177.5	-15.7	0	0	114.4	L464	L464-Q466 PolarHBondContact O-N 3.15Å
467	G	88.8	Confident	95.8	Very high	28 Å²	28	50.4 Å²	50.4	29%	0.289	27%	0.265	S	S	.	.	S	Bend	trans	-130.3	-159.1	179.8	0	0	0	0	0	112	L464 N465	L464-G467 CarbonylContact O-C 3.54Å; L464-G467 WeakPolarHBondContact O-CA 3.41Å; L464-G467 PolarHBondContact O-N 2.87Å; N465-G467 PolarHBondContact O-N 2.95Å
468	K	91.4	Very high	95.7	Very high	109 Å²	109	48.6 Å²	48.6	47%	0.474	25%	0.25	S	S	.	.			trans	-89.6	157.8	-177.6	69.1	-172.1	-171.6	-177.9	0	112.6	L464 F470	L464-K468 WeakPolarHBondContact CB-O 3.47Å; L464-K468 HydrophobicContact CD1-CG 4.48Å; L464-K468 WeakPolarHBondContact CG-O 3.49Å; L464-K468 PolarHBondContact N-O 3.34Å; K468-F470 HydrophobicContact CD-CE2 4.3Å; K468-F470 HydrophobicContact CD-CZ 4.16Å; K468-F470 VanDerWaalsContact CE-CE2 3.48Å; K468-F470 HydrophobicContact CG-CD2 4.39Å; K468-F470 HydrophobicContact CG-CE2 3.81Å; K468-F470 HydrophobicContact CG-CZ 4.18Å
469	D	95.4	Very high	95.5	Very high	75 Å²	75	49.8 Å²	49.8	40%	0.401	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	149.2	170.1	-66.9	-16.8	0	0	0	111.6	V461 L462 H463 F471	V461-D469 HydrophobicContact CG1-CB 4.34Å; L462-D469 CarbonylContact O-C 3.48Å; L462-D469 WeakPolarHBondContact O-CA 3.44Å; H463-D469 WeakPolarHBondContact CA-OD1 3.24Å; H463-D469 IonicContact CE1-OD1 2.69Å; H463-D469 IonicContact CG-OD1 3.76Å; H463-D469 IonicContact ND1-OD1 3.44Å; H463-D469 PolarHBondContact ND1-OD1 3.31Å; D469-F471 HydrophobicContact CB-CE2 4.28Å; D469-F471 HydrophobicContact CB-CZ 4.24Å
470	F	97.6	Very high	95.1	Very high	26 Å²	26	48.9 Å²	48.9	11%	0.114	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135	169.3	-60.8	-104.1	0	0	0	109.8	V368 L370 L373 V461 L462 L464 K468	V368-F470 HydrophobicContact CG2-CD2 4.41Å; V368-F470 HydrophobicContact CG2-CE1 4.43Å; V368-F470 HydrophobicContact CG2-CE2 3.46Å; V368-F470 VanDerWaalsContact CG2-CE2 3.46Å; V368-F470 HydrophobicContact CG2-CZ 3.42Å; V368-F470 VanDerWaalsContact CG2-CZ 3.42Å; V368-F470 WeakPolarHBondContact O-CZ 3.39Å; L370-F470 HydrophobicContact CD1-CB 3.6Å; L370-F470 HydrophobicContact CD1-CD1 3.47Å; L370-F470 VanDerWaalsContact CD1-CD1 3.47Å; L370-F470 HydrophobicContact CD1-CD2 4.35Å; L370-F470 HydrophobicContact CD1-CE1 4.08Å; L370-F470 HydrophobicContact CD1-CG 3.58Å; L370-F470 HydrophobicContact CG-CD1 3.99Å; L370-F470 HydrophobicContact CG-CE1 4.08Å; L370-F470 HydrophobicContact CG-CG 4.36Å; L373-F470 HydrophobicContact CD2-CB 4.48Å; L373-F470 HydrophobicContact CD2-CD1 4.29Å; V461-F470 WeakPolarHBondContact CA-O 2.99Å; L462-F470 HydrophobicContact CB-CB 4.29Å; L462-F470 HydrophobicContact CD2-CB 4.49Å; L462-F470 HydrophobicContact CD2-CD2 3.68Å; L462-F470 HydrophobicContact CD2-CE2 4.24Å; L462-F470 HydrophobicContact CD2-CG 4.41Å; L462-F470 PolarHBondContact N-O 2.99Å; L462-F470 PolarHBondContact O-N 3.41Å; L464-F470 HydrophobicContact CD1-CE2 3.97Å; L464-F470 HydrophobicContact CG-CE2 4.05Å; K468-F470 HydrophobicContact CD-CE2 4.3Å; K468-F470 HydrophobicContact CD-CZ 4.16Å; K468-F470 VanDerWaalsContact CE-CE2 3.48Å; K468-F470 HydrophobicContact CG-CD2 4.39Å; K468-F470 HydrophobicContact CG-CE2 3.81Å; K468-F470 HydrophobicContact CG-CZ 4.18Å
471	F	97.6	Very high	94.9	Very high	126 Å²	126	49 Å²	49	55%	0.553	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	115.8	178	-58.6	-83.3	0	0	0	108.3	I459 V461 D469	I459-F471 HydrophobicContact CG2-CB 4.1Å; I459-F471 HydrophobicContact CG2-CD1 4.17Å; V461-F471 HydrophobicContact CG1-CE1 4.14Å; V461-F471 HydrophobicContact CG2-CD1 3.98Å; V461-F471 HydrophobicContact CG2-CE1 3.97Å; D469-F471 HydrophobicContact CB-CE2 4.28Å; D469-F471 HydrophobicContact CB-CZ 4.24Å
472	I	98.2	Very high	94.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.5	-178.4	-61.9	154.2	0	0	0	108	L370 L373 F375 L390 F404 I459 L460 L462	L370-I472 HydrophobicContact CD1-CD1 4.09Å; L370-I472 HydrophobicContact CD1-CG1 4.23Å; L373-I472 HydrophobicContact CD2-CG1 4.26Å; L373-I472 CarbonylContact O-C 3.56Å; L373-I472 VanDerWaalsContact O-CA 3.26Å; L373-I472 WeakPolarHBondContact O-CA 2.95Å; F375-I472 HydrophobicContact CD2-CG2 3.56Å; F375-I472 HydrophobicContact CE2-CG2 3.67Å; L390-I472 HydrophobicContact CD2-CD1 3.64Å; F404-I472 HydrophobicContact CE1-CD1 4.05Å; F404-I472 HydrophobicContact CZ-CD1 4.43Å; I459-I472 WeakPolarHBondContact CA-O 3.49Å; L460-I472 HydrophobicContact CB-CB 4.21Å; L460-I472 PolarHBondContact N-O 2.72Å; L460-I472 PolarHBondContact O-N 2.93Å; L462-I472 HydrophobicContact CB-CD1 4.15Å; L462-I472 HydrophobicContact CD1-CD1 4.39Å
473	T	97.9	Very high	94.6	Very high	45 Å²	45	48.4 Å²	48.4	28%	0.276	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.7	179.9	-53.2	0	0	0	0	109.6	L373 E374 F375 M475	L373-T473 PolarHBondContact O-N 2.98Å; E374-T473 CarbonylContact C-O 3.56Å; E374-T473 WeakPolarHBondContact CA-O 3.31Å; F375-T473 PolarHBondContact N-O 3.47Å; T473-M475 HydrophobicContact CG2-CG 4.08Å
474	V	97.9	Very high	94.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.5	174.9	-175.4	0	0	0	0	108.6	F375 F377 W417 L418 V437 V439 T457 D458 L460	F375-V474 HydrophobicContact CB-CG1 4.26Å; F375-V474 HydrophobicContact CB-CG2 4.25Å; F375-V474 HydrophobicContact CD2-CG2 4.3Å; F377-V474 HydrophobicContact CD2-CG1 4.27Å; F377-V474 HydrophobicContact CE2-CG1 4.02Å; W417-V474 HydrophobicContact CH2-CG1 4.31Å; W417-V474 HydrophobicContact CZ3-CG1 4.12Å; L418-V474 HydrophobicContact CD1-CG1 4.01Å; L418-V474 HydrophobicContact CD2-CB 4.12Å; L418-V474 HydrophobicContact CD2-CG1 4.18Å; L418-V474 HydrophobicContact CD2-CG2 3.98Å; V437-V474 HydrophobicContact CG1-CG2 4.44Å; V439-V474 HydrophobicContact CG2-CG1 4.48Å; T457-V474 CarbonylContact C-O 3.55Å; T457-V474 VanDerWaalsContact CA-O 3.27Å; T457-V474 WeakPolarHBondContact CA-O 3.42Å; D458-V474 PolarHBondContact N-O 3.36Å; D458-V474 PolarHBondContact O-N 3.33Å; L460-V474 HydrophobicContact CD1-CG2 3.91Å; L460-V474 HydrophobicContact CG-CG2 4.15Å
475	M	97.1	Very high	94.2	Very high	76 Å²	76	46.7 Å²	46.7	37%	0.374	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.3	176.4	-60.9	-175.8	-72.5	0	0	109.7	F375 T376 F377 L456 T457 T473	F375-M475 PolarHBondContact O-N 3.13Å; T376-M475 CarbonylContact C-O 3.6Å; T376-M475 WeakPolarHBondContact CA-O 3.49Å; F377-M475 PolarHBondContact N-O 3.39Å; L456-M475 CarbonylContact O-C 3.59Å; L456-M475 WeakPolarHBondContact O-CA 3.47Å; T457-M475 HydrophobicContact CG2-CB 4.48Å; T457-M475 HydrophobicContact CG2-CG 4.1Å; T473-M475 HydrophobicContact CG2-CG 4.08Å
476	A	96.1	Very high	94.1	Very high	12 Å²	12	43.8 Å²	43.8	10%	0.099	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.2	170.8	0	0	0	0	0	111	F377 V380 V439 L456	F377-A476 HydrophobicContact CB-CB 3.72Å; F377-A476 CarbonylContact O-C 3.51Å; F377-A476 WeakPolarHBondContact O-CA 3.25Å; V380-A476 HydrophobicContact CG1-CB 4Å; V380-A476 HydrophobicContact CG2-CB 3.74Å; V439-A476 HydrophobicContact CG1-CB 4.22Å; V439-A476 HydrophobicContact CG2-CB 4.49Å; L456-A476 HydrophobicContact CB-CB 3.88Å; L456-A476 WeakPolarHBondContact CB-O 3.2Å; L456-A476 HydrophobicContact CD1-CB 4.05Å; L456-A476 PolarHBondContact O-N 2.94Å
477	T	93.5	Very high	94.3	Very high	91 Å²	91	36.2 Å²	36.2	56%	0.558	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.3	173.9	-61.5	0	0	0	0	109.5	F377 E378 K379 V380	F377-T477 PolarHBondContact O-N 3.02Å; E378-T477 VanDerWaalsContact O-CB 3.25Å; E378-T477 WeakPolarHBondContact O-CB 3.3Å; K379-T477 WeakPolarHBondContact CA-O 3.49Å; V380-T477 WeakPolarHBondContact CG2-O 3.48Å; V380-T477 PolarHBondContact N-O 3.46Å
478	Y	93.2	Very high	94.4	Very high	35 Å²	35	37.7 Å²	37.7	14%	0.137	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.2	-178.7	180	-125.6	0	0	0	111.6	V380 V441 V446 I449 S481	V380-Y478 CarbonylContact O-C 3.53Å; V380-Y478 WeakPolarHBondContact O-CA 3.27Å; V380-Y478 WeakPolarHBondContact O-CD2 3.29Å; V441-Y478 HydrophobicContact CB-CD2 4.38Å; V441-Y478 HydrophobicContact CB-CE2 4.35Å; V441-Y478 HydrophobicContact CG1-CD2 3.87Å; V441-Y478 HydrophobicContact CG1-CE2 3.63Å; V441-Y478 HydrophobicContact CG2-CD2 4.18Å; V446-Y478 HydrophobicContact CG1-CE1 4.47Å; V446-Y478 HydrophobicContact CG2-CE1 4.38Å; V446-Y478 HydrophobicContact CG2-CE2 4.16Å; V446-Y478 VanDerWaalsContact CG2-OH 3.22Å; V446-Y478 WeakPolarHBondContact CG2-OH 3.45Å; I449-Y478 HydrophobicContact CD1-CD1 4.02Å; I449-Y478 HydrophobicContact CD1-CG 3.99Å; I449-Y478 HydrophobicContact CG2-CD1 4.04Å; Y478-S481 PolarHBondContact OH-N 2.92Å
479	V	91.8	Very high	94.2	Very high	36 Å²	36	33.1 Å²	33.1	22%	0.218	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-89.3	116.9	168	-177.4	0	0	0	0	108.2	K379 V380 A381	K379-V479 HydrophobicContact CB-CG2 3.72Å; K379-V479 HydrophobicContact CG-CG2 3.98Å; V380-V479 PolarHBondContact O-N 3.09Å; A381-V479 HydrophobicContact CB-CB 4.48Å
480	R	88.8	Confident	94	Very high	58 Å²	58	29.7 Å²	29.7	22%	0.219	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-56.4	139.8	-177.8	-66.1	177.2	-178.3	158.7	-4	111.6	V497 I500 P501 T502 L505	R480-V497 HydrophobicContact CB-CG2 4.24Å; R480-I500 PolarHBondContact NH1-O 3.26Å; R480-I500 VanDerWaalsContact NH1-O 3.15Å; R480-P501 PolarHBondContact NH1-O 3.35Å; R480-T502 PolarHBondContact NH2-O 3.18Å; R480-L505 VanDerWaalsContact CZ-CD1 3.42Å
481	S	93.3	Very high	93.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.014	15%	0.151	C	C	.	.			trans	-124.7	155.5	173	-172.4	0	0	0	0	111	Y478 F483 D561	Y478-S481 PolarHBondContact OH-N 2.92Å; S481-F483 WeakPolarHBondContact OG-CD2 3.28Å; S481-F483 PolarHBondContact OG-N 2.91Å; S481-D561 WeakPolarHBondContact CA-OD1 3.48Å; S481-D561 WeakPolarHBondContact CA-OD2 3.22Å; S481-D561 WeakPolarHBondContact CB-OD2 3.37Å; S481-D561 PolarHBondContact OG-OD1 3.2Å; S481-D561 PolarHBondContact OG-OD2 3.36Å; S481-D561 VanDerWaalsContact OG-OD2 3.04Å
482	C	93.6	Very high	92.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-69.3	-24.8	170.8	62.8	0	0	0	0	111.3	L485 L490 E525 D561	C482-L485 PolarHBondContact O-N 3.43Å; C482-L490 HydrophobicContact CB-CD2 4Å; C482-E525 HydrophobicContact CB-CG 3.91Å; C482-D561 PolarHBondContact N-OD1 3.44Å; C482-D561 PolarHBondContact SG-OD1 3.49Å; C482-D561 VanDerWaalsContact SG-OD1 3.38Å
483	F	95.6	Very high	92.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	129.4	171	-67.5	-104.6	0	0	0	109.4	F382 S481 F553 R557 L560 A578 R581 F582 S585	F382-F483 HydrophobicContact CD1-CB 3.34Å; F382-F483 HydrophobicContact CD1-CD1 4.19Å; F382-F483 AromaticContact CD1-CG 3.79Å; F382-F483 HydrophobicContact CD1-CG 3.79Å; F382-F483 HydrophobicContact CE1-CB 3.36Å; F382-F483 AromaticContact CE1-CD1 3.68Å; F382-F483 HydrophobicContact CE1-CD1 3.68Å; F382-F483 AromaticContact CE1-CG 3.73Å; F382-F483 HydrophobicContact CE1-CG 3.73Å; F382-F483 HydrophobicContact CG-CB 3.94Å; F382-F483 HydrophobicContact CZ-CB 3.97Å; S481-F483 WeakPolarHBondContact OG-CD2 3.28Å; S481-F483 PolarHBondContact OG-N 2.91Å; F483-F553 HydrophobicContact CD1-CE2 4.43Å; F483-F553 AromaticContact CE1-CE2 3.76Å; F483-F553 HydrophobicContact CE1-CE2 3.76Å; F483-F553 HydrophobicContact CE1-CZ 4.27Å; F483-F553 AromaticContact CZ-CE2 3.89Å; F483-F553 HydrophobicContact CZ-CE2 3.89Å; F483-R557 HydrophobicContact CD2-CB 4.42Å; F483-R557 HydrophobicContact CD2-CG 3.85Å; F483-R557 HydrophobicContact CE2-CB 4.03Å; F483-R557 HydrophobicContact CE2-CG 3.97Å; F483-L560 HydrophobicContact CE2-CD1 4.04Å; F483-L560 HydrophobicContact CZ-CD1 4.27Å; F483-A578 WeakPolarHBondContact CE1-O 3.48Å; F483-R581 HydrophobicContact CD1-CB 4.43Å; F483-R581 HydrophobicContact CE1-CB 4.05Å; F483-F582 HydrophobicContact CD1-CB 4.12Å; F483-F582 HydrophobicContact CD1-CD2 4.43Å; F483-F582 VanDerWaalsContact CE1-CA 3.49Å; F483-F582 HydrophobicContact CE1-CB 3.68Å; F483-F582 HydrophobicContact CE1-CD2 4.36Å; F483-F582 HydrophobicContact CZ-CB 4.23Å; F483-F582 HydrophobicContact CZ-CD2 4.41Å; F483-S585 WeakPolarHBondContact CA-OG 3.31Å
484	G	93.5	Very high	91.3	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.021	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-5.2	-174.8	0	0	0	0	0	115.9	S585	G484-S585 VanDerWaalsContact CA-O 3.27Å; G484-S585 WeakPolarHBondContact CA-O 3.4Å; G484-S585 PolarHBondContact N-OG 3.46Å
485	L	93	Very high	90.5	Very high	13 Å²	13	34.3 Å²	34.3	7%	0.068	18%	0.182	C	C	.	.			trans	-87.8	154.5	172.7	-67.5	-178.8	0	0	0	111.8	N450 C482 L490 V497 L586 P587	N450-L485 WeakPolarHBondContact ND2-CD2 3.47Å; C482-L485 PolarHBondContact O-N 3.43Å; L485-L490 HydrophobicContact CB-CD1 4.17Å; L485-L490 HydrophobicContact CB-CD2 3.92Å; L485-L490 HydrophobicContact CB-CG 3.83Å; L485-L490 HydrophobicContact CD1-CD2 3.74Å; L485-L490 HydrophobicContact CG-CD2 4.45Å; L485-V497 HydrophobicContact CD1-CG2 3.52Å; L485-L586 VanDerWaalsContact O-CD2 3.25Å; L485-L586 WeakPolarHBondContact O-CD2 3.17Å; L485-P587 WeakPolarHBondContact O-CD 3.49Å
486	S	93	Very high	89.9	Confident	24 Å²	24	32.3 Å²	32.3	17%	0.168	18%	0.175	C	C	.	.			trans	-71.4	156	175.6	70.5	0	0	0	0	111.6	E488 T489 L490	S486-E488 PolarHBondContact O-N 3.2Å; S486-T489 PolarHBondContact O-N 3.42Å; S486-T489 WeakPolarHBondContact OG-CB 3.27Å; S486-T489 PolarHBondContact OG-N 3.4Å; S486-T489 VanDerWaalsContact OG-N 3.09Å; S486-T489 PolarHBondContact OG-OG1 2.71Å; S486-L490 WeakPolarHBondContact O-CG 3.18Å; S486-L490 PolarHBondContact O-N 3.08Å
487	L	93	Very high	89.6	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-62	-37.6	176.5	-69.4	177	0	0	0	111.2	L490 A491 P523 F582 L586 L590 C619 T623	L487-L490 PolarHBondContact O-N 2.79Å; L487-A491 VanDerWaalsContact O-CB 3.23Å; L487-A491 WeakPolarHBondContact O-CB 3.29Å; L487-A491 PolarHBondContact O-N 2.95Å; L487-P523 HydrophobicContact CD2-CG 3.78Å; L487-F582 HydrophobicContact CD2-CE1 4.36Å; L487-L586 HydrophobicContact CD1-CD1 4.09Å; L487-L586 HydrophobicContact CD2-CD1 3.94Å; L487-L586 HydrophobicContact CD2-CD2 3.83Å; L487-L586 HydrophobicContact CG-CD1 3.9Å; L487-L586 HydrophobicContact CG-CD2 3.98Å; L487-L590 HydrophobicContact CD1-CD1 3.58Å; L487-C619 HydrophobicContact CB-CB 4.39Å; L487-T623 HydrophobicContact CD2-CG2 4.23Å
488	E	90.1	Very high	89.1	Confident	60 Å²	60	31.8 Å²	31.8	28%	0.28	16%	0.16	S	C	.	.	H	α-helix	trans	-63.4	-48.1	178.2	-67.8	68.5	-152.4	0	0	111.3	S486 L490 A491 N492 H620	S486-E488 PolarHBondContact O-N 3.2Å; E488-L490 VanDerWaalsContact C-N 3.34Å; E488-L490 PolarHBondContact O-N 2.75Å; E488-A491 PolarHBondContact O-N 2.95Å; E488-N492 WeakPolarHBondContact O-CB 3.42Å; E488-N492 VanDerWaalsContact O-CG 3.28Å; E488-N492 PolarHBondContact O-N 2.82Å; E488-N492 VanDerWaalsContact O-N 3.08Å; E488-N492 PolarHBondContact O-ND2 2.91Å; E488-N492 VanDerWaalsContact O-ND2 3.12Å; E488-H620 IonicContact OE1-CD2 3.29Å; E488-H620 PolarHBondContact OE1-CD2 2.6Å; E488-H620 VanDerWaalsContact OE1-CD2 3.24Å; E488-H620 IonicContact OE1-NE2 3.29Å
489	T	88.5	Confident	88.2	Confident	13 Å²	13	32.5 Å²	32.5	8%	0.08	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-48.2	176.2	-58.5	0	0	0	0	109.9	S486 A491 N492 I493	S486-T489 PolarHBondContact O-N 3.42Å; S486-T489 WeakPolarHBondContact OG-CB 3.27Å; S486-T489 PolarHBondContact OG-N 3.4Å; S486-T489 VanDerWaalsContact OG-N 3.09Å; S486-T489 PolarHBondContact OG-OG1 2.71Å; T489-A491 PolarHBondContact O-N 2.78Å; T489-N492 PolarHBondContact O-N 2.99Å; T489-I493 WeakPolarHBondContact O-CG1 3.26Å; T489-I493 PolarHBondContact O-N 3.06Å; T489-I493 VanDerWaalsContact O-N 3.13Å
490	L	90.6	Very high	87.2	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-65.2	-38.1	-177.9	-69	176.1	0	0	0	113.2	C482 L485 S486 L487 E488 N492 I493 P523 F582	C482-L490 HydrophobicContact CB-CD2 4Å; L485-L490 HydrophobicContact CB-CD1 4.17Å; L485-L490 HydrophobicContact CB-CD2 3.92Å; L485-L490 HydrophobicContact CB-CG 3.83Å; L485-L490 HydrophobicContact CD1-CD2 3.74Å; L485-L490 HydrophobicContact CG-CD2 4.45Å; S486-L490 WeakPolarHBondContact O-CG 3.18Å; S486-L490 PolarHBondContact O-N 3.08Å; L487-L490 PolarHBondContact O-N 2.79Å; E488-L490 VanDerWaalsContact C-N 3.34Å; E488-L490 PolarHBondContact O-N 2.75Å; L490-N492 VanDerWaalsContact C-N 3.31Å; L490-N492 PolarHBondContact O-N 3.32Å; L490-I493 HydrophobicContact CD2-CD1 3.93Å; L490-I493 WeakPolarHBondContact O-CG1 3.35Å; L490-P523 HydrophobicContact CB-CB 3.86Å; L490-P523 HydrophobicContact CB-CG 3.93Å; L490-F582 HydrophobicContact CD1-CE2 3.81Å; L490-F582 HydrophobicContact CD1-CZ 3.41Å; L490-F582 VanDerWaalsContact CD1-CZ 3.41Å
491	A	88.2	Confident	86	Confident	9 Å²	9	32.1 Å²	32.1	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-68.7	-29.7	176.1	0	0	0	0	0	112.5	L487 E488 T489 P519	L487-A491 VanDerWaalsContact O-CB 3.23Å; L487-A491 WeakPolarHBondContact O-CB 3.29Å; L487-A491 PolarHBondContact O-N 2.95Å; E488-A491 PolarHBondContact O-N 2.95Å; T489-A491 PolarHBondContact O-N 2.78Å; A491-P519 WeakPolarHBondContact O-CB 3.43Å
492	N	84.5	Confident	84.3	Confident	84 Å²	84	37.9 Å²	37.9	45%	0.449	22%	0.218	S	C	.	.	H	α-helix	trans	-82.7	-22.4	179.1	-73.7	-30.7	0	0	0	113.6	E488 T489 L490	E488-N492 WeakPolarHBondContact O-CB 3.42Å; E488-N492 VanDerWaalsContact O-CG 3.28Å; E488-N492 PolarHBondContact O-N 2.82Å; E488-N492 VanDerWaalsContact O-N 3.08Å; E488-N492 PolarHBondContact O-ND2 2.91Å; E488-N492 VanDerWaalsContact O-ND2 3.12Å; T489-N492 PolarHBondContact O-N 2.99Å; L490-N492 VanDerWaalsContact C-N 3.31Å; L490-N492 PolarHBondContact O-N 3.32Å
493	I	83.3	Confident	82.2	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.036	25%	0.247	C	C	.	.			trans	-88.2	117.1	178	60.4	168.9	0	0	0	112.2	T489 L490 I500 L508 K524	T489-I493 WeakPolarHBondContact O-CG1 3.26Å; T489-I493 PolarHBondContact O-N 3.06Å; T489-I493 VanDerWaalsContact O-N 3.13Å; L490-I493 HydrophobicContact CD2-CD1 3.93Å; L490-I493 WeakPolarHBondContact O-CG1 3.35Å; I493-I500 HydrophobicContact CD1-CD1 4.01Å; I493-I500 HydrophobicContact CG2-CD1 4.2Å; I493-L508 HydrophobicContact CG2-CD1 4.46Å; I493-K524 PolarHBondContact O-NZ 2.75Å
494	T	79.2	Confident	80.2	Confident	110 Å²	110	44.8 Å²	44.8	68%	0.675	27%	0.269	S	S	*	.			trans	-84.1	-11.7	179.4	51.4	0	0	0	0	113.9
495	Y	81.1	Confident	78.2	Confident	85 Å²	85	47 Å²	47	33%	0.333	28%	0.28	S	S	.	.	S	Bend	trans	-118.1	163.8	-179	55.7	-86.2	0	0	0	110.8	I500 K524	Y495-I500 HydrophobicContact CD2-CG1 4Å; Y495-I500 HydrophobicContact CE2-CB 3.89Å; Y495-I500 HydrophobicContact CE2-CD1 4.43Å; Y495-I500 HydrophobicContact CE2-CG1 3.18Å; Y495-K524 VanDerWaalsContact O-CE 3.29Å; Y495-K524 WeakPolarHBondContact O-CE 3.17Å; Y495-K524 PolarHBondContact O-NZ 3.49Å
496	P	85	Confident	76.1	Confident	34 Å²	34	54 Å²	54	22%	0.221	32%	0.317	C	S	.	.			trans	-65.6	149.4	-177.9	-20.1	34.8	0	0	0	111.7	R498 G499 D561 V562 G563	P496-R498 PolarHBondContact O-N 2.85Å; P496-G499 WeakPolarHBondContact O-CA 3.47Å; P496-G499 PolarHBondContact O-N 3.48Å; P496-D561 VanDerWaalsContact CB-O 3.25Å; P496-D561 WeakPolarHBondContact CB-O 3.28Å; P496-V562 VanDerWaalsContact CB-C 3.41Å; P496-V562 WeakPolarHBondContact CB-O 3.43Å; P496-V562 VanDerWaalsContact CG-O 3.29Å; P496-V562 WeakPolarHBondContact CG-O 3.16Å; P496-G563 VanDerWaalsContact CG-CA 3.41Å
497	V	88.4	Confident	73.8	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.012	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-58.7	-35.3	-172.4	75.9	0	0	0	0	112.9	R480 L485 G499 I500 D561	R480-V497 HydrophobicContact CB-CG2 4.24Å; L485-V497 HydrophobicContact CD1-CG2 3.52Å; V497-G499 PolarHBondContact O-N 2.83Å; V497-I500 HydrophobicContact CG2-CD1 3.98Å; V497-I500 WeakPolarHBondContact O-CG1 3.44Å; V497-I500 PolarHBondContact O-N 3.27Å; V497-D561 HydrophobicContact CG1-CB 3.96Å; V497-D561 PolarHBondContact N-O 2.84Å
498	R	84.1	Confident	71.7	Confident	90 Å²	90	60.9 Å²	60.9	34%	0.34	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-72.3	-10	178.2	-71.6	-178.3	-173.5	174.7	12.2	113.5	P496 D558 D561	P496-R498 PolarHBondContact O-N 2.85Å; R498-D558 IonicContact CZ-OD1 3.24Å; R498-D558 IonicContact NH1-OD1 3.24Å; R498-D558 PolarHBondContact NH1-OD1 3.46Å; R498-D558 IonicContact NH2-OD1 2.67Å; R498-D558 PolarHBondContact NH2-OD1 3.28Å; R498-D561 HydrophobicContact CG-CB 4Å; R498-D561 IonicContact CZ-OD2 3.8Å; R498-D561 PolarHBondContact N-O 3.34Å; R498-D561 VanDerWaalsContact NE-CB 3.33Å; R498-D561 IonicContact NE-OD2 3.55Å; R498-D561 IonicContact NH2-OD2 2.67Å; R498-D561 PolarHBondContact NH2-OD2 3.02Å
499	G	74.4	Confident	69.4	Low	49 Å²	49	64.7 Å²	64.7	51%	0.505	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-86.8	-5.3	172.5	0	0	0	0	0	114.6	P496 V497 P501	P496-G499 WeakPolarHBondContact O-CA 3.47Å; P496-G499 PolarHBondContact O-N 3.48Å; V497-G499 PolarHBondContact O-N 2.83Å; G499-P501 WeakPolarHBondContact O-CD 3.44Å
500	I	71.2	Confident	67.1	Low	11 Å²	11	67 Å²	67	6%	0.056	39%	0.386	C	S	.	.	S	Bend	trans	-79.3	118.3	-178.6	-54.7	165.6	0	0	0	110.5	R480 I493 Y495 V497 L505	R480-I500 PolarHBondContact NH1-O 3.26Å; R480-I500 VanDerWaalsContact NH1-O 3.15Å; I493-I500 HydrophobicContact CD1-CD1 4.01Å; I493-I500 HydrophobicContact CG2-CD1 4.2Å; Y495-I500 HydrophobicContact CD2-CG1 4Å; Y495-I500 HydrophobicContact CE2-CB 3.89Å; Y495-I500 HydrophobicContact CE2-CD1 4.43Å; Y495-I500 HydrophobicContact CE2-CG1 3.18Å; V497-I500 HydrophobicContact CG2-CD1 3.98Å; V497-I500 WeakPolarHBondContact O-CG1 3.44Å; V497-I500 PolarHBondContact O-N 3.27Å; I500-L505 HydrophobicContact CG2-CG 4.41Å
501	P	63.3	Low	64.5	Low	75 Å²	75	73.5 Å²	73.5	49%	0.487	43%	0.428	S	S	.	.			trans	-56.2	147.4	173	-22	33	0	0	0	111.8	R480 G499 G503	R480-P501 PolarHBondContact NH1-O 3.35Å; G499-P501 WeakPolarHBondContact O-CD 3.44Å; P501-G503 PolarHBondContact O-N 2.83Å
502	T	56	Low	62.1	Low	123 Å²	123	78.3 Å²	78.3	76%	0.755	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-23	-167.2	-29.5	0	0	0	0	114.3	R480	R480-T502 PolarHBondContact NH2-O 3.18Å
503	G	51.3	Low	59.8	Low	58 Å²	58	83.3 Å²	83.3	60%	0.598	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.9	-172.4	0	0	0	0	0	118.3	P501	P501-G503 PolarHBondContact O-N 2.83Å
504	D	52.3	Low	57.5	Low	87 Å²	87	87.7 Å²	87.7	47%	0.465	50%	0.503	S	S	.	.	S	Bend	trans	-92.4	-3.2	-166.2	-73	-26.2	0	0	0	115.8
505	L	50.9	Low	55.5	Low	48 Å²	48	86.3 Å²	86.3	25%	0.251	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-79.5	-27.6	-172.2	-81.7	157.7	0	0	0	115.2	R480 I500 H507 L508	R480-L505 VanDerWaalsContact CZ-CD1 3.42Å; I500-L505 HydrophobicContact CG2-CG 4.41Å; L505-H507 PolarHBondContact O-N 2.81Å; L505-L508 HydrophobicContact CD2-CD1 3.48Å; L505-L508 VanDerWaalsContact CD2-CD1 3.48Å; L505-L508 HydrophobicContact CG-CD1 4.11Å; L505-L508 PolarHBondContact O-N 3.25Å; L505-L508 VanDerWaalsContact O-N 3.16Å
506	L	48.9	Very low	53.5	Low	162 Å²	162	94.8 Å²	94.8	85%	0.848	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-62.4	-13.4	174.8	-87.7	154.8	0	0	0	113
507	H	45.8	Very low	51.5	Low	123 Å²	123	101.9 Å²	101.9	57%	0.569	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-109.2	-1.1	-179.8	-68.9	-60.6	0	0	0	114.5	L505 S510	L505-H507 PolarHBondContact O-N 2.81Å; H507-S510 PolarHBondContact O-N 2.87Å
508	L	49	Very low	49.3	Very low	47 Å²	47	108.5 Å²	108.5	25%	0.246	60%	0.595	C	S	.	*	T	Hydrogen-bonded Turn	trans	-81.3	-19.7	-178.1	-83.5	164.5	0	0	0	113.9	I493 L505	I493-L508 HydrophobicContact CG2-CD1 4.46Å; L505-L508 HydrophobicContact CD2-CD1 3.48Å; L505-L508 VanDerWaalsContact CD2-CD1 3.48Å; L505-L508 HydrophobicContact CG-CD1 4.11Å; L505-L508 PolarHBondContact O-N 3.25Å; L505-L508 VanDerWaalsContact O-N 3.16Å
509	D	42.1	Very low	47.7	Very low	140 Å²	140	106.3 Å²	106.3	75%	0.749	59%	0.593	S	S	*	*	S	Bend	trans	-87.6	-8	169.6	-72.9	-21.9	0	0	0	113.1
510	S	39.8	Very low	47	Very low	60 Å²	60	107.7 Å²	107.7	42%	0.42	60%	0.595	S	S	.	*	S	Bend	trans	-78.6	138.9	165.6	-69.9	0	0	0	0	108.6	H507 V512	H507-S510 PolarHBondContact O-N 2.87Å; S510-V512 PolarHBondContact O-N 2.74Å
511	P	36.7	Very low	47.5	Very low	139 Å²	139	109.4 Å²	109.4	90%	0.903	61%	0.607	S	S	*	*			trans	-69.7	80	178.8	28.9	-32.9	0	0	0	109.6
512	V	37.7	Very low	48.8	Very low	110 Å²	110	106.8 Å²	106.8	67%	0.667	59%	0.59	S	S	*	*			trans	-73.5	126.8	169	-179.3	0	0	0	0	106.6	S510	S510-V512 PolarHBondContact O-N 2.74Å
513	K	35.1	Very low	50.5	Low	189 Å²	189	100.9 Å²	100.9	82%	0.822	55%	0.554	S	S	*	*			trans	-41.3	132	-179.4	-74	175.1	176.2	174.2	0	111
514	P	36.3	Very low	52.4	Low	100 Å²	100	100 Å²	100	65%	0.649	53%	0.533	S	S	*	.			trans	-63.2	140.9	-173.2	26.2	-33.1	0	0	0	110.1
515	P	35.5	Very low	54.3	Low	81 Å²	81	95.9 Å²	95.9	53%	0.526	51%	0.511	S	S	.	.			trans	-59.9	148.3	167.3	26.8	-31	0	0	0	109.1	K517	P515-K517 PolarHBondContact O-N 2.75Å
516	R	40.1	Very low	56.4	Low	262 Å²	262	93.6 Å²	93.6	99%	0.989	50%	0.499	S	S	*	.	S	Bend	trans	-67.2	24.4	-170.1	-71.4	178.1	169.4	178.4	-3.8	116.1
517	K	41.7	Very low	58.5	Low	184 Å²	184	90.7 Å²	90.7	80%	0.8	48%	0.48	S	S	*	.	S	Bend	trans	-132.2	125.6	170	-75.9	-176.8	176	-179.1	0	107.5	P515 P519	P515-K517 PolarHBondContact O-N 2.75Å; K517-P519 WeakPolarHBondContact O-CD 3.37Å
518	V	42.3	Very low	60.7	Low	141 Å²	141	88.9 Å²	88.9	86%	0.855	47%	0.468	S	S	*	.			trans	-49.9	109.6	-179.5	-173.9	0	0	0	0	108.2	S520	V518-S520 PolarHBondContact O-N 3.45Å
519	P	51.1	Low	62.9	Low	44 Å²	44	86.6 Å²	86.6	29%	0.286	46%	0.456	S	S	.	.			trans	-59.8	132.2	174.6	19.3	-23.6	0	0	0	107.2	A491 K517 S521	A491-P519 WeakPolarHBondContact O-CB 3.43Å; K517-P519 WeakPolarHBondContact O-CD 3.37Å; P519-S521 PolarHBondContact O-N 3Å; P519-S521 VanDerWaalsContact O-N 3.1Å
520	S	60.6	Low	65.4	Low	78 Å²	78	80 Å²	80	55%	0.545	42%	0.421	S	S	.	.			trans	-57.1	122.9	169.6	57.5	0	0	0	0	106.6	V518 V522	V518-S520 PolarHBondContact O-N 3.45Å; S520-V522 PolarHBondContact O-N 3.26Å; S520-V522 PolarHBondContact OG-O 3.2Å
521	S	81.7	Confident	68	Low	47 Å²	47	79.1 Å²	79.1	33%	0.329	41%	0.41	S	S	.	.	S	Bend	trans	-63	-6.2	180	-53.7	0	0	0	0	112.9	P519 T623	P519-S521 PolarHBondContact O-N 3Å; P519-S521 VanDerWaalsContact O-N 3.1Å; S521-T623 PolarHBondContact O-OG1 3.4Å
522	V	90.6	Very high	70.7	Confident	19 Å²	19	73.4 Å²	73.4	12%	0.115	37%	0.371	C	S	.	.	S	Bend	trans	-103.2	128.1	170.7	-173.9	0	0	0	0	109.2	S520 V526 A622 Y626	S520-V522 PolarHBondContact O-N 3.26Å; S520-V522 PolarHBondContact OG-O 3.2Å; V522-V526 HydrophobicContact CG1-CB 4.17Å; V522-V526 HydrophobicContact CG1-CG1 4.14Å; V522-A622 HydrophobicContact CG2-CB 4.14Å; V522-Y626 HydrophobicContact CG1-CD1 3.76Å; V522-Y626 HydrophobicContact CG1-CE1 4.24Å; V522-Y626 HydrophobicContact CG1-CG 4.3Å; V522-Y626 HydrophobicContact CG2-CD1 4.48Å; V522-Y626 HydrophobicContact CG2-CG 4.2Å
523	P	92.1	Very high	73.5	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.34	C	S	.	.			trans	-54.8	140.4	172.8	-30.2	38	0	0	0	113.6	L487 L490 E525 V526 F527 T623	L487-P523 HydrophobicContact CD2-CG 3.78Å; L490-P523 HydrophobicContact CB-CB 3.86Å; L490-P523 HydrophobicContact CB-CG 3.93Å; P523-E525 PolarHBondContact O-N 2.89Å; P523-V526 HydrophobicContact CB-CG2 4.16Å; P523-V526 HydrophobicContact CG-CG2 4.43Å; P523-V526 PolarHBondContact O-N 3.12Å; P523-F527 PolarHBondContact O-N 3.33Å; P523-T623 WeakPolarHBondContact CD-OG1 3.49Å
524	K	90.3	Very high	76.3	Confident	38 Å²	38	61.5 Å²	61.5	17%	0.165	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-29.8	-180	63.1	-171.7	179.8	-61.2	0	113	I493 Y495 R528	I493-K524 PolarHBondContact O-NZ 2.75Å; Y495-K524 VanDerWaalsContact O-CE 3.29Å; Y495-K524 WeakPolarHBondContact O-CE 3.17Å; Y495-K524 PolarHBondContact O-NZ 3.49Å; K524-R528 WeakPolarHBondContact O-CB 3.38Å; K524-R528 WeakPolarHBondContact O-CD 3.35Å; K524-R528 WeakPolarHBondContact O-CG 3.47Å; K524-R528 PolarHBondContact O-N 3.39Å
525	E	93	Very high	79	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-69.2	-44.3	178.5	-60.9	77.2	-167.7	0	0	111.1	C482 P523 R528 L529 L560 F582	C482-E525 HydrophobicContact CB-CG 3.91Å; P523-E525 PolarHBondContact O-N 2.89Å; E525-R528 PolarHBondContact O-N 3.28Å; E525-L529 PolarHBondContact O-N 2.84Å; E525-L529 VanDerWaalsContact O-N 3.08Å; E525-L560 HydrophobicContact CB-CD2 4.31Å; E525-L560 HydrophobicContact CG-CB 4.45Å; E525-F582 HydrophobicContact CB-CE2 3.96Å; E525-F582 HydrophobicContact CB-CZ 4.47Å
526	V	94.2	Very high	81.8	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-46.5	173.8	177.3	0	0	0	0	110.1	V522 P523 R528 L529 V530 F582 F583 T623 Y626	V522-V526 HydrophobicContact CG1-CB 4.17Å; V522-V526 HydrophobicContact CG1-CG1 4.14Å; P523-V526 HydrophobicContact CB-CG2 4.16Å; P523-V526 HydrophobicContact CG-CG2 4.43Å; P523-V526 PolarHBondContact O-N 3.12Å; V526-R528 VanDerWaalsContact C-N 3.32Å; V526-R528 PolarHBondContact O-N 3.18Å; V526-L529 PolarHBondContact O-N 2.97Å; V526-V530 HydrophobicContact CG1-CG2 4.13Å; V526-V530 WeakPolarHBondContact O-CB 3.24Å; V526-V530 VanDerWaalsContact O-CG2 3.31Å; V526-V530 WeakPolarHBondContact O-CG2 3.29Å; V526-V530 PolarHBondContact O-N 3.33Å; V526-F582 HydrophobicContact CG2-CD1 3.8Å; V526-F582 HydrophobicContact CG2-CE1 3.21Å; V526-F582 HydrophobicContact CG2-CZ 3.65Å; V526-F583 HydrophobicContact CG1-CZ 3.92Å; V526-F583 HydrophobicContact CG2-CE1 4.36Å; V526-F583 HydrophobicContact CG2-CZ 4.26Å; V526-T623 HydrophobicContact CG1-CG2 4.26Å; V526-T623 HydrophobicContact CG2-CG2 4.43Å; V526-Y626 HydrophobicContact CG1-CD1 4.41Å
527	F	92.3	Very high	84.4	Confident	101 Å²	101	51.4 Å²	51.4	44%	0.443	26%	0.261	S	S	.	.	H	α-helix	trans	-54.4	-48.9	176.5	178.3	-93.8	0	0	0	111.4	P523 L529 V530 E531 Y626	P523-F527 PolarHBondContact O-N 3.33Å; F527-L529 PolarHBondContact O-N 3.43Å; F527-V530 PolarHBondContact O-N 2.87Å; F527-E531 HydrophobicContact CD1-CG 4.07Å; F527-E531 HydrophobicContact CD2-CG 4.08Å; F527-E531 HydrophobicContact CE1-CG 3.66Å; F527-E531 HydrophobicContact CE2-CG 3.67Å; F527-E531 WeakPolarHBondContact CE2-OE1 3.49Å; F527-E531 HydrophobicContact CG-CG 4.26Å; F527-E531 HydrophobicContact CZ-CG 3.45Å; F527-E531 VanDerWaalsContact CZ-CG 3.45Å; F527-E531 WeakPolarHBondContact O-CB 3.29Å; F527-E531 WeakPolarHBondContact O-CG 3.39Å; F527-E531 PolarHBondContact O-N 3.37Å; F527-Y626 HydrophobicContact CD2-CE1 4.44Å; F527-Y626 HydrophobicContact CD2-CE2 4.35Å; F527-Y626 AromaticContact CD2-CZ 3.78Å; F527-Y626 WeakPolarHBondContact CD2-OH 3.39Å
528	R	92.1	Very high	87	Confident	85 Å²	85	43.7 Å²	43.7	32%	0.321	23%	0.228	S	C	.	.	H	α-helix	trans	-62	-45.6	-180	-74.1	167.3	-179.7	-158.1	-5.2	113.1	K524 E525 V526 H532 L560 G563	K524-R528 WeakPolarHBondContact O-CB 3.38Å; K524-R528 WeakPolarHBondContact O-CD 3.35Å; K524-R528 WeakPolarHBondContact O-CG 3.47Å; K524-R528 PolarHBondContact O-N 3.39Å; E525-R528 PolarHBondContact O-N 3.28Å; V526-R528 VanDerWaalsContact C-N 3.32Å; V526-R528 PolarHBondContact O-N 3.18Å; R528-H532 VanDerWaalsContact O-CB 3.28Å; R528-H532 WeakPolarHBondContact O-CB 3.26Å; R528-H532 PolarHBondContact O-N 3.16Å; R528-L560 HydrophobicContact CB-CD2 4.13Å; R528-G563 PolarHBondContact NH1-O 3.39Å; R528-G563 PolarHBondContact NH2-O 3.34Å; R528-G563 VanDerWaalsContact NH2-O 3.11Å
529	L	95.2	Very high	89.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-47.5	177.1	-76.2	163.1	0	0	0	111.1	E525 V526 F527 H532 L533 I556 L560 L568 A578 L579 F582	E525-L529 PolarHBondContact O-N 2.84Å; E525-L529 VanDerWaalsContact O-N 3.08Å; V526-L529 PolarHBondContact O-N 2.97Å; F527-L529 PolarHBondContact O-N 3.43Å; L529-H532 PolarHBondContact O-N 3.04Å; L529-L533 VanDerWaalsContact O-CG 3.27Å; L529-L533 WeakPolarHBondContact O-CG 3.26Å; L529-L533 PolarHBondContact O-N 2.83Å; L529-L533 VanDerWaalsContact O-N 3.09Å; L529-I556 HydrophobicContact CD2-CG2 3.95Å; L529-L560 HydrophobicContact CD1-CD1 3.78Å; L529-L560 HydrophobicContact CD2-CD1 4.18Å; L529-L560 HydrophobicContact CG-CD1 3.94Å; L529-L568 HydrophobicContact CD2-CD1 3.72Å; L529-L568 HydrophobicContact CG-CD1 4.22Å; L529-A578 HydrophobicContact CD2-CB 3.9Å; L529-L579 HydrophobicContact CB-CB 4.45Å; L529-L579 HydrophobicContact CB-CD1 3.94Å; L529-L579 HydrophobicContact CD1-CB 4.45Å; L529-L579 HydrophobicContact CD1-CD1 4.13Å; L529-F582 HydrophobicContact CD1-CB 4.43Å
530	V	95.6	Very high	91.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-45.8	-178.8	170	0	0	0	0	111.8	V526 F527 H532 L533 R534 L579 Y626 F630	V526-V530 HydrophobicContact CG1-CG2 4.13Å; V526-V530 WeakPolarHBondContact O-CB 3.24Å; V526-V530 VanDerWaalsContact O-CG2 3.31Å; V526-V530 WeakPolarHBondContact O-CG2 3.29Å; V526-V530 PolarHBondContact O-N 3.33Å; F527-V530 PolarHBondContact O-N 2.87Å; V530-H532 VanDerWaalsContact C-N 3.35Å; V530-H532 PolarHBondContact O-N 3.22Å; V530-L533 PolarHBondContact O-N 2.84Å; V530-R534 WeakPolarHBondContact O-CB 3.47Å; V530-R534 PolarHBondContact O-N 2.68Å; V530-L579 HydrophobicContact CG2-CD1 4.19Å; V530-L579 HydrophobicContact CG2-CD2 4.16Å; V530-Y626 HydrophobicContact CB-CE1 3.66Å; V530-Y626 HydrophobicContact CG1-CD1 4.47Å; V530-Y626 HydrophobicContact CG1-CE1 3.61Å; V530-Y626 HydrophobicContact CG2-CD1 4.5Å; V530-Y626 HydrophobicContact CG2-CE1 3.93Å; V530-F630 HydrophobicContact CG1-CB 3.67Å; V530-F630 HydrophobicContact CG1-CD1 4.05Å; V530-F630 HydrophobicContact CG1-CD2 3.82Å; V530-F630 HydrophobicContact CG1-CG 3.55Å; V530-F630 HydrophobicContact CG2-CD1 4.34Å
531	E	93.2	Very high	93.4	Very high	42 Å²	42	44 Å²	44	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-38.9	178.4	-69	-50	145.9	0	0	112.1	F527 L533 R534 Q535 Y626	F527-E531 HydrophobicContact CD1-CG 4.07Å; F527-E531 HydrophobicContact CD2-CG 4.08Å; F527-E531 HydrophobicContact CE1-CG 3.66Å; F527-E531 HydrophobicContact CE2-CG 3.67Å; F527-E531 WeakPolarHBondContact CE2-OE1 3.49Å; F527-E531 HydrophobicContact CG-CG 4.26Å; F527-E531 HydrophobicContact CZ-CG 3.45Å; F527-E531 VanDerWaalsContact CZ-CG 3.45Å; F527-E531 WeakPolarHBondContact O-CB 3.29Å; F527-E531 WeakPolarHBondContact O-CG 3.39Å; F527-E531 PolarHBondContact O-N 3.37Å; E531-L533 VanDerWaalsContact C-N 3.33Å; E531-L533 PolarHBondContact O-N 3.02Å; E531-R534 PolarHBondContact O-N 2.67Å; E531-R534 IonicContact OE1-CZ 3.8Å; E531-R534 IonicContact OE1-NH1 2.91Å; E531-R534 PolarHBondContact OE1-NH1 3.02Å; E531-R534 IonicContact OE2-NH1 3.39Å; E531-R534 PolarHBondContact OE2-NH1 2.92Å; E531-Q535 WeakPolarHBondContact O-CB 3.38Å; E531-Q535 VanDerWaalsContact O-CG 3.27Å; E531-Q535 WeakPolarHBondContact O-CG 3.37Å; E531-Q535 PolarHBondContact O-N 3.07Å; E531-Y626 PolarHBondContact OE1-OH 3.21Å
532	H	93.8	Very high	93.9	Very high	19 Å²	19	43.1 Å²	43.1	9%	0.088	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-43.9	175.2	178.9	79.9	0	0	0	111.6	R528 L529 V530 Q535 N536 L568	R528-H532 VanDerWaalsContact O-CB 3.28Å; R528-H532 WeakPolarHBondContact O-CB 3.26Å; R528-H532 PolarHBondContact O-N 3.16Å; L529-H532 PolarHBondContact O-N 3.04Å; V530-H532 VanDerWaalsContact C-N 3.35Å; V530-H532 PolarHBondContact O-N 3.22Å; H532-Q535 PolarHBondContact O-N 3.42Å; H532-N536 PolarHBondContact ND1-ND2 3.03Å; H532-N536 WeakPolarHBondContact O-CB 3.48Å; H532-N536 PolarHBondContact O-N 3.25Å; H532-N536 PolarHBondContact O-ND2 3.26Å; H532-L568 HydrophobicContact CB-CD1 3.77Å; H532-L568 HydrophobicContact CB-CG 4.23Å
533	L	95.9	Very high	94.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.8	-36.3	176.4	-68	171.5	0	0	0	112.5	L529 V530 E531 Q535 G537 L538 L543 F544 V572 A575 A576 L579 F630	L529-L533 VanDerWaalsContact O-CG 3.27Å; L529-L533 WeakPolarHBondContact O-CG 3.26Å; L529-L533 PolarHBondContact O-N 2.83Å; L529-L533 VanDerWaalsContact O-N 3.09Å; V530-L533 PolarHBondContact O-N 2.84Å; E531-L533 VanDerWaalsContact C-N 3.33Å; E531-L533 PolarHBondContact O-N 3.02Å; L533-Q535 VanDerWaalsContact C-N 3.34Å; L533-G537 CarbonylContact O-C 3.29Å; L533-G537 WeakPolarHBondContact O-CA 3.45Å; L533-G537 PolarHBondContact O-N 2.89Å; L533-L538 PolarHBondContact O-N 3.35Å; L533-L543 HydrophobicContact CD2-CD1 4.28Å; L533-F544 HydrophobicContact CD1-CE1 4.44Å; L533-F544 HydrophobicContact CD1-CZ 4.14Å; L533-V572 HydrophobicContact CD2-CG1 3.82Å; L533-A575 HydrophobicContact CD2-CB 3.85Å; L533-A575 HydrophobicContact CG-CB 4.36Å; L533-A576 HydrophobicContact CD1-CB 4.45Å; L533-A576 HydrophobicContact CD2-CB 4.11Å; L533-L579 HydrophobicContact CD1-CB 4.43Å; L533-L579 HydrophobicContact CD1-CD2 3.88Å; L533-F630 HydrophobicContact CB-CE2 4.03Å; L533-F630 HydrophobicContact CB-CZ 3.6Å; L533-F630 HydrophobicContact CD1-CE1 4.38Å; L533-F630 HydrophobicContact CD1-CZ 4.17Å
534	R	94.7	Very high	94.3	Very high	49 Å²	49	42.9 Å²	42.9	19%	0.185	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-41.4	175.2	-175.7	-177.6	-76.7	114.9	-3.3	111.4	V530 E531 L538 F630 E633	V530-R534 WeakPolarHBondContact O-CB 3.47Å; V530-R534 PolarHBondContact O-N 2.68Å; E531-R534 PolarHBondContact O-N 2.67Å; E531-R534 IonicContact OE1-CZ 3.8Å; E531-R534 IonicContact OE1-NH1 2.91Å; E531-R534 PolarHBondContact OE1-NH1 3.02Å; E531-R534 IonicContact OE2-NH1 3.39Å; E531-R534 PolarHBondContact OE2-NH1 2.92Å; R534-L538 HydrophobicContact CG-CD1 4.22Å; R534-L538 WeakPolarHBondContact O-CD1 3.45Å; R534-L538 WeakPolarHBondContact O-CG 3.14Å; R534-F630 HydrophobicContact CB-CD2 4.28Å; R534-F630 HydrophobicContact CB-CE2 4.21Å; R534-E633 WeakPolarHBondContact CD-OE2 3.37Å; R534-E633 IonicContact CZ-OE1 3.86Å; R534-E633 IonicContact CZ-OE2 2.82Å; R534-E633 IonicContact NE-OE1 2.7Å; R534-E633 PolarHBondContact NE-OE1 3.29Å; R534-E633 IonicContact NE-OE2 3.55Å; R534-E633 PolarHBondContact NE-OE2 2.84Å; R534-E633 IonicContact NH2-OE1 3.86Å; R534-E633 PolarHBondContact NH2-OE1 3.12Å; R534-E633 IonicContact NH2-OE2 3.59Å
535	Q	93.3	Very high	94.4	Very high	142 Å²	142	44.3 Å²	44.3	66%	0.664	22%	0.217	S	C	*	.	H	α-helix	trans	-74.5	-36.4	-178.4	-71.5	172.8	6.3	0	0	113.1	E531 H532 L533	E531-Q535 WeakPolarHBondContact O-CB 3.38Å; E531-Q535 VanDerWaalsContact O-CG 3.27Å; E531-Q535 WeakPolarHBondContact O-CG 3.37Å; E531-Q535 PolarHBondContact O-N 3.07Å; H532-Q535 PolarHBondContact O-N 3.42Å; L533-Q535 VanDerWaalsContact C-N 3.34Å
536	N	94.1	Very high	94.4	Very high	89 Å²	89	49.2 Å²	49.2	48%	0.476	24%	0.24	S	C	.	.	H	α-helix	trans	-118.9	-16.4	-167.3	-55.5	-73.2	0	0	0	114.3	H532 V572	H532-N536 PolarHBondContact ND1-ND2 3.03Å; H532-N536 WeakPolarHBondContact O-CB 3.48Å; H532-N536 PolarHBondContact O-N 3.25Å; H532-N536 PolarHBondContact O-ND2 3.26Å; N536-V572 HydrophobicContact CB-CG2 4.14Å
537	G	94.9	Very high	94.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-8.7	-164.5	0	0	0	0	0	116.5	L533 D539 Q540 L543 V572	L533-G537 CarbonylContact O-C 3.29Å; L533-G537 WeakPolarHBondContact O-CA 3.45Å; L533-G537 PolarHBondContact O-N 2.89Å; G537-D539 PolarHBondContact O-N 3.41Å; G537-Q540 VanDerWaalsContact O-CB 3.26Å; G537-Q540 WeakPolarHBondContact O-CB 3.17Å; G537-Q540 PolarHBondContact O-N 3.41Å; G537-L543 WeakPolarHBondContact O-CD2 3.4Å; G537-V572 VanDerWaalsContact CA-CG1 3.45Å
538	L	96.8	Very high	94.3	Very high	23 Å²	23	49 Å²	49	12%	0.12	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.1	-176	-72.5	176.6	0	0	0	113.2	L533 R534 F630 E633 V634 H637 N641	L533-L538 PolarHBondContact O-N 3.35Å; R534-L538 HydrophobicContact CG-CD1 4.22Å; R534-L538 WeakPolarHBondContact O-CD1 3.45Å; R534-L538 WeakPolarHBondContact O-CG 3.14Å; L538-F630 HydrophobicContact CD2-CE2 4.29Å; L538-E633 HydrophobicContact CD2-CB 4.31Å; L538-V634 HydrophobicContact CD2-CG2 3.86Å; L538-H637 HydrophobicContact CB-CB 4.45Å; L538-H637 WeakPolarHBondContact O-CB 3.46Å; L538-N641 WeakPolarHBondContact O-CB 3.04Å; L538-N641 PolarHBondContact O-ND2 2.99Å
539	D	96.8	Very high	94.5	Very high	88 Å²	88	47.4 Å²	47.4	47%	0.471	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	7.8	177.4	-64.1	-46.7	0	0	0	113.3	G537 E541 H637 N640	G537-D539 PolarHBondContact O-N 3.41Å; D539-E541 PolarHBondContact O-N 3.28Å; D539-H637 IonicContact OD1-CE1 2.67Å; D539-H637 IonicContact OD1-CG 3.9Å; D539-H637 IonicContact OD1-ND1 2.92Å; D539-H637 PolarHBondContact OD1-ND1 3.22Å; D539-H637 IonicContact OD2-ND1 3.1Å; D539-N640 HydrophobicContact CB-CB 3.95Å; D539-N640 PolarHBondContact OD1-ND2 3.35Å
540	Q	96.7	Very high	94.5	Very high	68 Å²	68	51 Å²	51	32%	0.318	28%	0.277	S	S	.	.			trans	-69.1	116.7	178.8	-179.9	63.5	57.2	0	0	109.9	G537 S542 L543 V572 H573 N641	G537-Q540 VanDerWaalsContact O-CB 3.26Å; G537-Q540 WeakPolarHBondContact O-CB 3.17Å; G537-Q540 PolarHBondContact O-N 3.41Å; Q540-S542 PolarHBondContact O-N 2.76Å; Q540-L543 HydrophobicContact CB-CD1 4.44Å; Q540-L543 WeakPolarHBondContact O-CB 3.41Å; Q540-L543 PolarHBondContact O-N 3.07Å; Q540-V572 HydrophobicContact CB-CB 4.45Å; Q540-V572 HydrophobicContact CB-CG1 3.84Å; Q540-V572 HydrophobicContact CG-CB 4.06Å; Q540-V572 HydrophobicContact CG-CG1 3.81Å; Q540-H573 PolarHBondContact NE2-NE2 3.02Å; Q540-H573 VanDerWaalsContact NE2-NE2 3.19Å; Q540-N641 VanDerWaalsContact O-CA 3.29Å; Q540-N641 WeakPolarHBondContact O-CA 3.45Å; Q540-N641 WeakPolarHBondContact O-CB 3.47Å
541	E	94.8	Very high	94.5	Very high	112 Å²	112	54.3 Å²	54.3	52%	0.523	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	136.3	175.5	-174.6	173.8	-164.7	0	0	110.9	D539 L543 H573 Q642	D539-E541 PolarHBondContact O-N 3.28Å; E541-L543 VanDerWaalsContact C-N 3.27Å; E541-L543 PolarHBondContact O-N 2.9Å; E541-H573 PolarHBondContact O-CE1 2.89Å; E541-Q642 PolarHBondContact OE1-NE2 3.03Å
542	S	92.6	Very high	94.7	Very high	30 Å²	30	55.2 Å²	55.2	21%	0.21	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	30.2	179.4	-62.3	0	0	0	0	114.7	Q540 F544 S545 Q546 N641	Q540-S542 PolarHBondContact O-N 2.76Å; S542-F544 PolarHBondContact O-N 3.06Å; S542-S545 PolarHBondContact O-N 3.06Å; S542-Q546 PolarHBondContact O-N 2.59Å; S542-N641 PolarHBondContact N-O 2.84Å
543	L	95.1	Very high	94.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	136	172.2	-174	71.9	0	0	0	110.4	L533 G537 Q540 E541 S545 V572 A576 V634 N641 C643	L533-L543 HydrophobicContact CD2-CD1 4.28Å; G537-L543 WeakPolarHBondContact O-CD2 3.4Å; Q540-L543 HydrophobicContact CB-CD1 4.44Å; Q540-L543 WeakPolarHBondContact O-CB 3.41Å; Q540-L543 PolarHBondContact O-N 3.07Å; E541-L543 VanDerWaalsContact C-N 3.27Å; E541-L543 PolarHBondContact O-N 2.9Å; L543-S545 PolarHBondContact O-N 2.91Å; L543-V572 HydrophobicContact CD1-CG1 3.55Å; L543-A576 HydrophobicContact CD1-CB 3.98Å; L543-V634 HydrophobicContact CD2-CG1 3.92Å; L543-V634 HydrophobicContact CD2-CG2 4.07Å; L543-N641 HydrophobicContact CB-CB 4.28Å; L543-C643 PolarHBondContact O-SG 3.04Å
544	F	95.5	Very high	94.8	Very high	13 Å²	13	55.6 Å²	55.6	6%	0.057	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	-15.1	-172.1	-57.4	-69.7	0	0	0	117.4	L533 S542 A576 L579 L580 F630 L631 V634 L648 I651 F652	L533-F544 HydrophobicContact CD1-CE1 4.44Å; L533-F544 HydrophobicContact CD1-CZ 4.14Å; S542-F544 PolarHBondContact O-N 3.06Å; F544-A576 HydrophobicContact CD1-CB 3.73Å; F544-A576 HydrophobicContact CE1-CB 3.64Å; F544-A576 HydrophobicContact CG-CB 4.45Å; F544-A576 HydrophobicContact CZ-CB 4.32Å; F544-L579 HydrophobicContact CE1-CD2 4.31Å; F544-L579 HydrophobicContact CZ-CD2 4.38Å; F544-L580 HydrophobicContact CD1-CD1 4.16Å; F544-L580 HydrophobicContact CD1-CD2 4.19Å; F544-L580 HydrophobicContact CD1-CG 4.12Å; F544-F630 HydrophobicContact CE2-CE1 4.31Å; F544-F630 AromaticContact CZ-CE1 3.91Å; F544-F630 HydrophobicContact CZ-CE1 3.91Å; F544-F630 HydrophobicContact CZ-CZ 4.32Å; F544-L631 HydrophobicContact CE2-CD2 4.26Å; F544-V634 HydrophobicContact CE2-CG2 4.41Å; F544-L648 HydrophobicContact CB-CD2 4.39Å; F544-L648 HydrophobicContact CD2-CD2 3.67Å; F544-L648 HydrophobicContact CE2-CD2 4.4Å; F544-L648 HydrophobicContact CG-CD2 4.29Å; F544-I651 HydrophobicContact CB-CD1 4.12Å; F544-F652 AromaticContact CD1-CE2 3.94Å; F544-F652 HydrophobicContact CD1-CE2 3.94Å; F544-F652 AromaticContact CD1-CZ 3.87Å; F544-F652 HydrophobicContact CD1-CZ 3.87Å; F544-F652 HydrophobicContact CD2-CE2 4.21Å; F544-F652 HydrophobicContact CE1-CE2 4.18Å; F544-F652 AromaticContact CE1-CZ 3.69Å; F544-F652 HydrophobicContact CE1-CZ 3.69Å; F544-F652 HydrophobicContact CE2-CE2 4.43Å; F544-F652 HydrophobicContact CE2-CZ 4.39Å; F544-F652 AromaticContact CG-CE2 3.98Å; F544-F652 HydrophobicContact CG-CE2 3.98Å; F544-F652 HydrophobicContact CG-CZ 4.33Å; F544-F652 HydrophobicContact CZ-CE2 4.43Å; F544-F652 AromaticContact CZ-CZ 3.98Å; F544-F652 HydrophobicContact CZ-CZ 3.98Å
545	S	91.7	Very high	94.9	Very high	68 Å²	68	55.2 Å²	55.2	48%	0.476	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-29.5	-177.7	-58	0	0	0	0	112.5	S542 L543	S542-S545 PolarHBondContact O-N 3.06Å; L543-S545 PolarHBondContact O-N 2.91Å
546	Q	92.7	Very high	95	Very high	105 Å²	105	48.4 Å²	48.4	49%	0.491	29%	0.287	S	S	.	.	S	Bend	trans	-93.2	132	171.5	177.2	175.7	-28	0	0	110.8	S542	S542-Q546 PolarHBondContact O-N 2.59Å
547	A	91.5	Very high	95.1	Very high	76 Å²	76	44.2 Å²	44.2	63%	0.628	26%	0.264	S	S	*	.			trans	-69.4	146.5	176.1	0	0	0	0	0	112
548	G	93.1	Very high	95	Very high	19 Å²	19	46.6 Å²	46.6	20%	0.196	28%	0.277	C	S	.	.			trans	-83.5	177.1	173	0	0	0	0	0	112.9	S574 E577	G548-S574 WeakPolarHBondContact CA-OG 3.37Å; G548-E577 WeakPolarHBondContact CA-OE2 3.45Å; G548-E577 PolarHBondContact N-OE2 3.39Å
549	S	95.6	Very high	94.9	Very high	53 Å²	53	46 Å²	46	37%	0.371	28%	0.275	S	S	.	.			trans	-81	132.1	171.9	169.6	0	0	0	0	110.1	A551 E552 F553 S574	S549-A551 VanDerWaalsContact C-N 3.29Å; S549-A551 PolarHBondContact O-N 2.95Å; S549-A551 PolarHBondContact OG-N 3.49Å; S549-E552 WeakPolarHBondContact O-CB 3.32Å; S549-E552 PolarHBondContact O-N 3.46Å; S549-E552 VanDerWaalsContact O-N 3.14Å; S549-F553 PolarHBondContact O-N 2.81Å; S549-S574 PolarHBondContact N-OG 3.19Å
550	H	95.3	Very high	94.8	Very high	75 Å²	75	41.8 Å²	41.8	35%	0.347	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-38.1	177.3	-173.5	55.8	0	0	0	112.4	L383 E552 F553 L554	L383-H550 PolarHBondContact O-CE1 2.87Å; L383-H550 PolarHBondContact O-NE2 3.36Å; H550-E552 VanDerWaalsContact C-N 3.3Å; H550-E552 PolarHBondContact O-N 3.34Å; H550-F553 AromaticContact CE1-CD1 3.99Å; H550-F553 AromaticContact ND1-CD1 3.9Å; H550-F553 WeakPolarHBondContact O-CB 3.37Å; H550-F553 PolarHBondContact O-N 3.38Å; H550-L554 WeakPolarHBondContact O-CG 3.42Å; H550-L554 PolarHBondContact O-N 2.93Å
551	A	96.6	Very high	94.6	Very high	70 Å²	70	38.6 Å²	38.6	58%	0.579	24%	0.237	S	C	*	.	H	α-helix	trans	-63.5	-37	176.3	0	0	0	0	0	112.1	S549 L554 A555	S549-A551 VanDerWaalsContact C-N 3.29Å; S549-A551 PolarHBondContact O-N 2.95Å; S549-A551 PolarHBondContact OG-N 3.49Å; A551-L554 PolarHBondContact O-N 3.29Å; A551-A555 PolarHBondContact O-N 3.23Å
552	E	96.6	Very high	94.4	Very high	61 Å²	61	36.8 Å²	36.8	29%	0.285	23%	0.234	S	C	.	.	H	α-helix	trans	-69.6	-38.8	174.4	-68.2	-179	172.6	0	0	111.5	S549 H550 L554 A555 I556 S571 S574	S549-E552 WeakPolarHBondContact O-CB 3.32Å; S549-E552 PolarHBondContact O-N 3.46Å; S549-E552 VanDerWaalsContact O-N 3.14Å; H550-E552 VanDerWaalsContact C-N 3.3Å; H550-E552 PolarHBondContact O-N 3.34Å; E552-L554 VanDerWaalsContact C-N 3.32Å; E552-L554 PolarHBondContact O-N 2.99Å; E552-A555 WeakPolarHBondContact O-CB 3.36Å; E552-A555 PolarHBondContact O-N 3.01Å; E552-I556 VanDerWaalsContact O-CG1 3.31Å; E552-I556 WeakPolarHBondContact O-CG1 3.49Å; E552-I556 PolarHBondContact O-N 3.46Å; E552-S571 WeakPolarHBondContact OE2-CB 3.49Å; E552-S571 PolarHBondContact OE2-N 3.31Å; E552-S571 PolarHBondContact OE2-OG 3.42Å; E552-S574 WeakPolarHBondContact CB-OG 3.25Å; E552-S574 VanDerWaalsContact OE2-CB 3.26Å; E552-S574 WeakPolarHBondContact OE2-CB 3.33Å; E552-S574 PolarHBondContact OE2-OG 3.1Å
553	F	96.8	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.7	-45.2	171.9	163.3	-97.9	0	0	0	111.8	F382 L383 F483 S549 H550 A555 I556 R557 A578 R581	F382-F553 HydrophobicContact CD1-CZ 4.22Å; F382-F553 HydrophobicContact CE1-CZ 4.17Å; L383-F553 HydrophobicContact CB-CE1 4Å; L383-F553 HydrophobicContact CD1-CE1 4.28Å; L383-F553 HydrophobicContact CD1-CZ 4.21Å; F483-F553 HydrophobicContact CD1-CE2 4.43Å; F483-F553 AromaticContact CE1-CE2 3.76Å; F483-F553 HydrophobicContact CE1-CE2 3.76Å; F483-F553 HydrophobicContact CE1-CZ 4.27Å; F483-F553 AromaticContact CZ-CE2 3.89Å; F483-F553 HydrophobicContact CZ-CE2 3.89Å; S549-F553 PolarHBondContact O-N 2.81Å; H550-F553 AromaticContact CE1-CD1 3.99Å; H550-F553 AromaticContact ND1-CD1 3.9Å; H550-F553 WeakPolarHBondContact O-CB 3.37Å; H550-F553 PolarHBondContact O-N 3.38Å; F553-A555 VanDerWaalsContact C-N 3.31Å; F553-A555 PolarHBondContact O-N 3.43Å; F553-I556 PolarHBondContact O-N 2.94Å; F553-R557 HydrophobicContact CZ-CB 4.34Å; F553-R557 WeakPolarHBondContact O-CB 3.34Å; F553-R557 PolarHBondContact O-N 3.45Å; F553-A578 HydrophobicContact CD2-CB 4Å; F553-A578 HydrophobicContact CE2-CB 4.42Å; F553-R581 HydrophobicContact CE2-CB 4.04Å; F553-R581 HydrophobicContact CE2-CG 4.36Å
554	L	96.3	Very high	92.8	Very high	27 Å²	27	40.3 Å²	40.3	14%	0.141	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-43	177.1	-63.9	-180	0	0	0	111.4	E384 H550 A551 E552 I556 R557 D558	E384-L554 HydrophobicContact CB-CD1 4.46Å; E384-L554 HydrophobicContact CB-CD2 3.84Å; E384-L554 HydrophobicContact CG-CD1 4.02Å; E384-L554 HydrophobicContact CG-CD2 4.28Å; H550-L554 WeakPolarHBondContact O-CG 3.42Å; H550-L554 PolarHBondContact O-N 2.93Å; A551-L554 PolarHBondContact O-N 3.29Å; E552-L554 VanDerWaalsContact C-N 3.32Å; E552-L554 PolarHBondContact O-N 2.99Å; L554-I556 PolarHBondContact O-N 3.23Å; L554-R557 PolarHBondContact O-N 2.96Å; L554-D558 WeakPolarHBondContact O-CB 3.39Å; L554-D558 VanDerWaalsContact O-CG 3.28Å; L554-D558 PolarHBondContact O-N 3.27Å
555	A	95.5	Very high	91.3	Very high	40 Å²	40	43 Å²	43	33%	0.331	28%	0.278	S	S	.	.	H	α-helix	trans	-63.1	-40.4	175.8	0	0	0	0	0	112.6	A551 E552 F553 A559 P569	A551-A555 PolarHBondContact O-N 3.23Å; E552-A555 WeakPolarHBondContact O-CB 3.36Å; E552-A555 PolarHBondContact O-N 3.01Å; F553-A555 VanDerWaalsContact C-N 3.31Å; F553-A555 PolarHBondContact O-N 3.43Å; A555-A559 WeakPolarHBondContact O-CB 3.39Å; A555-A559 PolarHBondContact O-N 2.95Å; A555-P569 HydrophobicContact CB-CB 4.18Å; A555-P569 HydrophobicContact CB-CG 3.89Å; A555-P569 WeakPolarHBondContact O-CG 3.33Å
556	I	96.2	Very high	90.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-46.8	176.4	-67.4	161.9	0	0	0	110.8	L529 E552 F553 L554 D558 A559 L560 P569 S574 A575 A578	L529-I556 HydrophobicContact CD2-CG2 3.95Å; E552-I556 VanDerWaalsContact O-CG1 3.31Å; E552-I556 WeakPolarHBondContact O-CG1 3.49Å; E552-I556 PolarHBondContact O-N 3.46Å; F553-I556 PolarHBondContact O-N 2.94Å; L554-I556 PolarHBondContact O-N 3.23Å; I556-D558 VanDerWaalsContact C-N 3.31Å; I556-D558 PolarHBondContact O-N 3.44Å; I556-A559 WeakPolarHBondContact O-CB 3.44Å; I556-A559 PolarHBondContact O-N 2.87Å; I556-L560 HydrophobicContact CG2-CD1 4.09Å; I556-L560 HydrophobicContact CG2-CG 4.47Å; I556-L560 WeakPolarHBondContact O-CG 3.41Å; I556-L560 PolarHBondContact O-N 3.26Å; I556-P569 WeakPolarHBondContact CD1-O 3.49Å; I556-P569 HydrophobicContact CG1-CG 4.14Å; I556-P569 WeakPolarHBondContact CG1-O 3.49Å; I556-S574 VanDerWaalsContact CD1-C 3.48Å; I556-A575 HydrophobicContact CD1-CB 4.31Å; I556-A578 HydrophobicContact CB-CB 4.38Å; I556-A578 HydrophobicContact CD1-CB 4.39Å; I556-A578 HydrophobicContact CG2-CB 3.69Å
557	R	95.8	Very high	89.8	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-54.4	-50.7	175	176.8	-151.2	66.4	-168.4	-2.5	110.2	F382 E384 F483 F553 L554 A559 L560 D561	F382-R557 WeakPolarHBondContact O-CD 3.49Å; F382-R557 PolarHBondContact O-NH1 2.69Å; E384-R557 IonicContact OE2-CZ 3.89Å; E384-R557 IonicContact OE2-NH1 2.77Å; E384-R557 PolarHBondContact OE2-NH1 3.44Å; E384-R557 VanDerWaalsContact OE2-NH1 3.08Å; E384-R557 IonicContact OE2-NH2 3.89Å; E384-R557 PolarHBondContact OE2-NH2 2.82Å; F483-R557 HydrophobicContact CD2-CB 4.42Å; F483-R557 HydrophobicContact CD2-CG 3.85Å; F483-R557 HydrophobicContact CE2-CB 4.03Å; F483-R557 HydrophobicContact CE2-CG 3.97Å; F553-R557 HydrophobicContact CZ-CB 4.34Å; F553-R557 WeakPolarHBondContact O-CB 3.34Å; F553-R557 PolarHBondContact O-N 3.45Å; L554-R557 PolarHBondContact O-N 2.96Å; R557-A559 PolarHBondContact O-N 3.09Å; R557-L560 PolarHBondContact O-N 2.84Å; R557-D561 WeakPolarHBondContact O-CB 3.42Å; R557-D561 PolarHBondContact O-N 3.04Å
558	D	94.1	Very high	89.8	Confident	50 Å²	50	45.8 Å²	45.8	27%	0.267	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-43.8	179.9	-73.6	-17.3	0	0	0	112.2	R498 L554 I556 L560 D561 V562	R498-D558 IonicContact CZ-OD1 3.24Å; R498-D558 IonicContact NH1-OD1 3.24Å; R498-D558 PolarHBondContact NH1-OD1 3.46Å; R498-D558 IonicContact NH2-OD1 2.67Å; R498-D558 PolarHBondContact NH2-OD1 3.28Å; L554-D558 WeakPolarHBondContact O-CB 3.39Å; L554-D558 VanDerWaalsContact O-CG 3.28Å; L554-D558 PolarHBondContact O-N 3.27Å; I556-D558 VanDerWaalsContact C-N 3.31Å; I556-D558 PolarHBondContact O-N 3.44Å; D558-L560 VanDerWaalsContact C-N 3.33Å; D558-L560 PolarHBondContact O-N 2.77Å; D558-D561 PolarHBondContact O-N 3.04Å; D558-V562 VanDerWaalsContact O-CG2 3.3Å; D558-V562 WeakPolarHBondContact O-CG2 3.27Å; D558-V562 PolarHBondContact O-N 2.9Å
559	A	94.1	Very high	89.7	Confident	9 Å²	9	47 Å²	47	7%	0.074	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-42.4	176.1	0	0	0	0	0	112.7	A555 I556 R557 G563 C564 P569	A555-A559 WeakPolarHBondContact O-CB 3.39Å; A555-A559 PolarHBondContact O-N 2.95Å; I556-A559 WeakPolarHBondContact O-CB 3.44Å; I556-A559 PolarHBondContact O-N 2.87Å; R557-A559 PolarHBondContact O-N 3.09Å; A559-G563 PolarHBondContact O-N 3.45Å; A559-C564 PolarHBondContact O-N 3Å; A559-C564 VanDerWaalsContact O-N 3.16Å; A559-P569 HydrophobicContact CB-CG 4.12Å
560	L	93.7	Very high	89.6	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-67.6	-43.6	175.5	-67.1	174.5	0	0	0	111.3	F483 E525 R528 L529 I556 R557 D558 V562 G563 L568	F483-L560 HydrophobicContact CE2-CD1 4.04Å; F483-L560 HydrophobicContact CZ-CD1 4.27Å; E525-L560 HydrophobicContact CB-CD2 4.31Å; E525-L560 HydrophobicContact CG-CB 4.45Å; R528-L560 HydrophobicContact CB-CD2 4.13Å; L529-L560 HydrophobicContact CD1-CD1 3.78Å; L529-L560 HydrophobicContact CD2-CD1 4.18Å; L529-L560 HydrophobicContact CG-CD1 3.94Å; I556-L560 HydrophobicContact CG2-CD1 4.09Å; I556-L560 HydrophobicContact CG2-CG 4.47Å; I556-L560 WeakPolarHBondContact O-CG 3.41Å; I556-L560 PolarHBondContact O-N 3.26Å; R557-L560 PolarHBondContact O-N 2.84Å; D558-L560 VanDerWaalsContact C-N 3.33Å; D558-L560 PolarHBondContact O-N 2.77Å; L560-V562 PolarHBondContact O-N 3.46Å; L560-G563 PolarHBondContact O-N 2.86Å; L560-L568 HydrophobicContact CD2-CD2 3.99Å; L560-L568 HydrophobicContact CG-CD2 4.38Å
561	D	93.3	Very high	89.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-38.2	-178.3	-72.7	-14.9	0	0	0	113.1	S481 C482 P496 V497 R498 R557 D558	S481-D561 WeakPolarHBondContact CA-OD1 3.48Å; S481-D561 WeakPolarHBondContact CA-OD2 3.22Å; S481-D561 WeakPolarHBondContact CB-OD2 3.37Å; S481-D561 PolarHBondContact OG-OD1 3.2Å; S481-D561 PolarHBondContact OG-OD2 3.36Å; S481-D561 VanDerWaalsContact OG-OD2 3.04Å; C482-D561 PolarHBondContact N-OD1 3.44Å; C482-D561 PolarHBondContact SG-OD1 3.49Å; C482-D561 VanDerWaalsContact SG-OD1 3.38Å; P496-D561 VanDerWaalsContact CB-O 3.25Å; P496-D561 WeakPolarHBondContact CB-O 3.28Å; V497-D561 HydrophobicContact CG1-CB 3.96Å; V497-D561 PolarHBondContact N-O 2.84Å; R498-D561 HydrophobicContact CG-CB 4Å; R498-D561 IonicContact CZ-OD2 3.8Å; R498-D561 PolarHBondContact N-O 3.34Å; R498-D561 VanDerWaalsContact NE-CB 3.33Å; R498-D561 IonicContact NE-OD2 3.55Å; R498-D561 IonicContact NH2-OD2 2.67Å; R498-D561 PolarHBondContact NH2-OD2 3.02Å; R557-D561 WeakPolarHBondContact O-CB 3.42Å; R557-D561 PolarHBondContact O-N 3.04Å; D558-D561 PolarHBondContact O-N 3.04Å
562	V	90.7	Very high	89.6	Confident	75 Å²	75	42.3 Å²	42.3	46%	0.455	26%	0.259	S	S	.	.	H	α-helix	trans	-89.9	-16.1	178.4	-56.8	0	0	0	0	113.5	P496 D558 L560	P496-V562 VanDerWaalsContact CB-C 3.41Å; P496-V562 WeakPolarHBondContact CB-O 3.43Å; P496-V562 VanDerWaalsContact CG-O 3.29Å; P496-V562 WeakPolarHBondContact CG-O 3.16Å; D558-V562 VanDerWaalsContact O-CG2 3.3Å; D558-V562 WeakPolarHBondContact O-CG2 3.27Å; D558-V562 PolarHBondContact O-N 2.9Å; L560-V562 PolarHBondContact O-N 3.46Å
563	G	82.6	Confident	89.6	Confident	13 Å²	13	40.1 Å²	40.1	13%	0.134	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	10.1	173.3	0	0	0	0	0	117.4	P496 R528 A559 L560	P496-G563 VanDerWaalsContact CG-CA 3.41Å; R528-G563 PolarHBondContact NH1-O 3.39Å; R528-G563 PolarHBondContact NH2-O 3.34Å; R528-G563 VanDerWaalsContact NH2-O 3.11Å; A559-G563 PolarHBondContact O-N 3.45Å; L560-G563 PolarHBondContact O-N 2.86Å
564	C	70.3	Confident	89.6	Confident	91 Å²	91	40.1 Å²	40.1	62%	0.615	25%	0.248	S	C	*	.			trans	-142.5	126.3	-174.7	-121.8	0	0	0	0	109.5	A559	A559-C564 PolarHBondContact O-N 3Å; A559-C564 VanDerWaalsContact O-N 3.16Å
565	P	65.4	Low	89.6	Confident	68 Å²	68	38.8 Å²	38.8	44%	0.442	24%	0.242	S	C	.	.			cis	-130.4	-178.7	43.6	12.9	13.9	0	0	0	115.5	V567	P565-V567 WeakPolarHBondContact CD-O 3.38Å; P565-V567 WeakPolarHBondContact CG-O 3.32Å; P565-V567 PolarHBondContact O-N 2.73Å
566	E	70.4	Confident	89.7	Confident	202 Å²	202	37 Å²	37	94%	0.944	23%	0.226	S	C	*	.	S	Bend	trans	-58.4	-25.6	171.2	-72.2	-174.6	163.1	0	0	113.4
567	V	82.3	Confident	89.7	Confident	96 Å²	96	38.7 Å²	38.7	58%	0.582	23%	0.234	S	C	*	.	S	Bend	trans	-121	126.4	176.8	-177.1	0	0	0	0	108	P565	P565-V567 WeakPolarHBondContact CD-O 3.38Å; P565-V567 WeakPolarHBondContact CG-O 3.32Å; P565-V567 PolarHBondContact O-N 2.73Å
568	L	90.7	Very high	89.8	Confident	11 Å²	11	38.6 Å²	38.6	6%	0.058	23%	0.234	C	C	.	.			trans	-68.6	139.4	175.4	-69.2	176.6	0	0	0	110.4	L529 H532 L560	L529-L568 HydrophobicContact CD2-CD1 3.72Å; L529-L568 HydrophobicContact CG-CD1 4.22Å; H532-L568 HydrophobicContact CB-CD1 3.77Å; H532-L568 HydrophobicContact CB-CG 4.23Å; L560-L568 HydrophobicContact CD2-CD2 3.99Å; L560-L568 HydrophobicContact CG-CD2 4.38Å
569	P	92.3	Very high	89.9	Confident	44 Å²	44	36.2 Å²	36.2	29%	0.286	22%	0.221	S	C	.	.	S	Bend	trans	-70.7	162	175.2	31.2	-35	0	0	0	111.2	A555 I556 A559	A555-P569 HydrophobicContact CB-CB 4.18Å; A555-P569 HydrophobicContact CB-CG 3.89Å; A555-P569 WeakPolarHBondContact O-CG 3.33Å; I556-P569 WeakPolarHBondContact CD1-O 3.49Å; I556-P569 HydrophobicContact CG1-CG 4.14Å; I556-P569 WeakPolarHBondContact CG1-O 3.49Å; A559-P569 HydrophobicContact CB-CG 4.12Å
570	G	92.2	Very high	90.1	Very high	40 Å²	40	36.9 Å²	36.9	41%	0.412	22%	0.223	S	C	.	.	S	Bend	trans	84.5	-180	176.1	0	0	0	0	0	114.4
571	S	95.4	Very high	90.2	Very high	41 Å²	41	39.8 Å²	39.8	29%	0.287	23%	0.234	S	C	.	.			trans	-76.7	161.5	179.7	64.2	0	0	0	0	112.5	E552 H573 S574 A575	E552-S571 WeakPolarHBondContact OE2-CB 3.49Å; E552-S571 PolarHBondContact OE2-N 3.31Å; E552-S571 PolarHBondContact OE2-OG 3.42Å; S571-H573 PolarHBondContact O-N 3.28Å; S571-S574 PolarHBondContact O-N 3.25Å; S571-S574 PolarHBondContact OG-N 3.3Å; S571-S574 PolarHBondContact OG-OG 2.98Å; S571-A575 PolarHBondContact O-N 3.29Å
572	V	95.9	Very high	90.5	Very high	19 Å²	19	39.9 Å²	39.9	12%	0.115	24%	0.235	C	C	.	.	H	α-helix	trans	-55.1	-38.8	172.1	174.8	0	0	0	0	111.3	L533 N536 G537 Q540 L543 S574 A575 A576	L533-V572 HydrophobicContact CD2-CG1 3.82Å; N536-V572 HydrophobicContact CB-CG2 4.14Å; G537-V572 VanDerWaalsContact CA-CG1 3.45Å; Q540-V572 HydrophobicContact CB-CB 4.45Å; Q540-V572 HydrophobicContact CB-CG1 3.84Å; Q540-V572 HydrophobicContact CG-CB 4.06Å; Q540-V572 HydrophobicContact CG-CG1 3.81Å; L543-V572 HydrophobicContact CD1-CG1 3.55Å; V572-S574 PolarHBondContact O-N 3.45Å; V572-A575 PolarHBondContact O-N 2.94Å; V572-A576 WeakPolarHBondContact O-CB 3.49Å; V572-A576 PolarHBondContact O-N 3.03Å
573	H	97.3	Very high	90.8	Very high	14 Å²	14	36.3 Å²	36.3	7%	0.065	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-41.4	176.5	-64.8	-66	0	0	0	112.3	Q540 E541 S571 A576 E577	Q540-H573 PolarHBondContact NE2-NE2 3.02Å; Q540-H573 VanDerWaalsContact NE2-NE2 3.19Å; E541-H573 PolarHBondContact O-CE1 2.89Å; S571-H573 PolarHBondContact O-N 3.28Å; H573-A576 PolarHBondContact O-N 3.36Å; H573-E577 WeakPolarHBondContact O-CB 3.27Å; H573-E577 PolarHBondContact O-N 3.17Å
574	S	97.1	Very high	91.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.3	-36.5	175.9	-61.8	0	0	0	0	112.8	G548 S549 E552 I556 S571 V572 E577 A578	G548-S574 WeakPolarHBondContact CA-OG 3.37Å; S549-S574 PolarHBondContact N-OG 3.19Å; E552-S574 WeakPolarHBondContact CB-OG 3.25Å; E552-S574 VanDerWaalsContact OE2-CB 3.26Å; E552-S574 WeakPolarHBondContact OE2-CB 3.33Å; E552-S574 PolarHBondContact OE2-OG 3.1Å; I556-S574 VanDerWaalsContact CD1-C 3.48Å; S571-S574 PolarHBondContact O-N 3.25Å; S571-S574 PolarHBondContact OG-N 3.3Å; S571-S574 PolarHBondContact OG-OG 2.98Å; V572-S574 PolarHBondContact O-N 3.45Å; S574-E577 PolarHBondContact O-N 3.46Å; S574-A578 VanDerWaalsContact O-CB 3.28Å; S574-A578 WeakPolarHBondContact O-CB 3.49Å; S574-A578 PolarHBondContact O-N 3.35Å
575	A	96.3	Very high	92.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.1	-39.6	172	0	0	0	0	0	112.2	L533 I556 S571 V572 A578 L579	L533-A575 HydrophobicContact CD2-CB 3.85Å; L533-A575 HydrophobicContact CG-CB 4.36Å; I556-A575 HydrophobicContact CD1-CB 4.31Å; S571-A575 PolarHBondContact O-N 3.29Å; V572-A575 PolarHBondContact O-N 2.94Å; A575-A578 PolarHBondContact O-N 3.28Å; A575-L579 PolarHBondContact O-N 3.31Å
576	A	97.3	Very high	94.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-63.2	-45.5	174.9	0	0	0	0	0	111	L533 L543 F544 V572 H573 L579 L580	L533-A576 HydrophobicContact CD1-CB 4.45Å; L533-A576 HydrophobicContact CD2-CB 4.11Å; L543-A576 HydrophobicContact CD1-CB 3.98Å; F544-A576 HydrophobicContact CD1-CB 3.73Å; F544-A576 HydrophobicContact CE1-CB 3.64Å; F544-A576 HydrophobicContact CG-CB 4.45Å; F544-A576 HydrophobicContact CZ-CB 4.32Å; V572-A576 WeakPolarHBondContact O-CB 3.49Å; V572-A576 PolarHBondContact O-N 3.03Å; H573-A576 PolarHBondContact O-N 3.36Å; A576-L579 WeakPolarHBondContact O-CB 3.48Å; A576-L579 PolarHBondContact O-N 3.22Å; A576-L580 WeakPolarHBondContact O-CG 3.27Å; A576-L580 PolarHBondContact O-N 3.31Å; A576-L580 VanDerWaalsContact O-N 3.12Å
577	E	96.7	Very high	95.3	Very high	36 Å²	36	22.9 Å²	22.9	17%	0.168	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-38.8	175.5	-170.7	179.1	161.6	0	0	112.4	G548 H573 S574 L579 L580 R581	G548-E577 WeakPolarHBondContact CA-OE2 3.45Å; G548-E577 PolarHBondContact N-OE2 3.39Å; H573-E577 WeakPolarHBondContact O-CB 3.27Å; H573-E577 PolarHBondContact O-N 3.17Å; S574-E577 PolarHBondContact O-N 3.46Å; E577-L579 VanDerWaalsContact C-N 3.28Å; E577-L579 PolarHBondContact O-N 2.92Å; E577-L580 WeakPolarHBondContact O-CB 3.41Å; E577-L580 PolarHBondContact O-N 3.44Å; E577-R581 HydrophobicContact CG-CG 4.36Å; E577-R581 WeakPolarHBondContact O-CB 3.23Å; E577-R581 WeakPolarHBondContact O-CG 3.34Å; E577-R581 PolarHBondContact O-N 3.44Å; E577-R581 IonicContact OE1-CZ 3.33Å; E577-R581 IonicContact OE1-NE 3.46Å; E577-R581 PolarHBondContact OE1-NE 2.93Å; E577-R581 IonicContact OE1-NH2 2.75Å; E577-R581 PolarHBondContact OE1-NH2 3.3Å
578	A	97.3	Very high	95.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.3	-38.7	174.5	0	0	0	0	0	111.7	F483 L529 F553 I556 S574 A575 R581 F582	F483-A578 WeakPolarHBondContact CE1-O 3.48Å; L529-A578 HydrophobicContact CD2-CB 3.9Å; F553-A578 HydrophobicContact CD2-CB 4Å; F553-A578 HydrophobicContact CE2-CB 4.42Å; I556-A578 HydrophobicContact CB-CB 4.38Å; I556-A578 HydrophobicContact CD1-CB 4.39Å; I556-A578 HydrophobicContact CG2-CB 3.69Å; S574-A578 VanDerWaalsContact O-CB 3.28Å; S574-A578 WeakPolarHBondContact O-CB 3.49Å; S574-A578 PolarHBondContact O-N 3.35Å; A575-A578 PolarHBondContact O-N 3.28Å; A578-R581 PolarHBondContact O-N 3.37Å; A578-F582 VanDerWaalsContact O-CB 3.32Å; A578-F582 WeakPolarHBondContact O-CB 3.4Å; A578-F582 PolarHBondContact O-N 3.37Å
579	L	97.6	Very high	96.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-44.3	173.5	-175.5	65.3	0	0	0	112	L529 V530 L533 F544 A575 A576 E577 F582 F583 L627 F630	L529-L579 HydrophobicContact CB-CB 4.45Å; L529-L579 HydrophobicContact CB-CD1 3.94Å; L529-L579 HydrophobicContact CD1-CB 4.45Å; L529-L579 HydrophobicContact CD1-CD1 4.13Å; V530-L579 HydrophobicContact CG2-CD1 4.19Å; V530-L579 HydrophobicContact CG2-CD2 4.16Å; L533-L579 HydrophobicContact CD1-CB 4.43Å; L533-L579 HydrophobicContact CD1-CD2 3.88Å; F544-L579 HydrophobicContact CE1-CD2 4.31Å; F544-L579 HydrophobicContact CZ-CD2 4.38Å; A575-L579 PolarHBondContact O-N 3.31Å; A576-L579 WeakPolarHBondContact O-CB 3.48Å; A576-L579 PolarHBondContact O-N 3.22Å; E577-L579 VanDerWaalsContact C-N 3.28Å; E577-L579 PolarHBondContact O-N 2.92Å; L579-F582 WeakPolarHBondContact O-CB 3.43Å; L579-F582 PolarHBondContact O-N 2.8Å; L579-F583 HydrophobicContact CD1-CD2 4.13Å; L579-F583 HydrophobicContact CD1-CE2 3.5Å; L579-F583 HydrophobicContact CD1-CZ 4.26Å; L579-F583 HydrophobicContact CG-CD2 4.2Å; L579-F583 HydrophobicContact CG-CE2 3.87Å; L579-F583 VanDerWaalsContact O-CD2 3.27Å; L579-F583 WeakPolarHBondContact O-CD2 3.34Å; L579-F583 PolarHBondContact O-N 2.77Å; L579-L627 HydrophobicContact CD2-CD1 4.17Å; L579-F630 HydrophobicContact CD2-CE1 4.36Å
580	L	97.5	Very high	96.3	Very high	22 Å²	22	19 Å²	19	12%	0.115	11%	0.108	C	C	.	.	H	α-helix	trans	-61.4	-48.2	175.9	-65.9	179.9	0	0	0	111.3	F544 A576 E577 F582 F583 D584 I651 F652 I655	F544-L580 HydrophobicContact CD1-CD1 4.16Å; F544-L580 HydrophobicContact CD1-CD2 4.19Å; F544-L580 HydrophobicContact CD1-CG 4.12Å; A576-L580 WeakPolarHBondContact O-CG 3.27Å; A576-L580 PolarHBondContact O-N 3.31Å; A576-L580 VanDerWaalsContact O-N 3.12Å; E577-L580 WeakPolarHBondContact O-CB 3.41Å; E577-L580 PolarHBondContact O-N 3.44Å; L580-F582 VanDerWaalsContact C-N 3.29Å; L580-F582 PolarHBondContact O-N 3.34Å; L580-F583 PolarHBondContact O-N 3.39Å; L580-D584 WeakPolarHBondContact O-CB 3.37Å; L580-D584 PolarHBondContact O-N 3.25Å; L580-I651 HydrophobicContact CD1-CG2 3.96Å; L580-I651 HydrophobicContact CD2-CG2 4.1Å; L580-F652 HydrophobicContact CD2-CD1 3.97Å; L580-F652 HydrophobicContact CD2-CD2 4.25Å; L580-F652 HydrophobicContact CD2-CE1 3.56Å; L580-F652 HydrophobicContact CD2-CE2 3.85Å; L580-F652 HydrophobicContact CD2-CG 4.31Å; L580-F652 HydrophobicContact CD2-CZ 3.49Å; L580-F652 VanDerWaalsContact CD2-CZ 3.49Å; L580-I655 HydrophobicContact CB-CD1 3.9Å; L580-I655 HydrophobicContact CD1-CD1 4.5Å; L580-I655 HydrophobicContact CD2-CD1 3.78Å; L580-I655 HydrophobicContact CG-CD1 4.26Å
581	R	96.9	Very high	96.5	Very high	63 Å²	63	17.1 Å²	17.1	24%	0.238	9%	0.089	C	C	.	.	H	α-helix	trans	-62.2	-35.3	177.1	-72.5	176.7	179.8	-122	1.3	112.2	F483 F553 E577 A578 D584 S585	F483-R581 HydrophobicContact CD1-CB 4.43Å; F483-R581 HydrophobicContact CE1-CB 4.05Å; F553-R581 HydrophobicContact CE2-CB 4.04Å; F553-R581 HydrophobicContact CE2-CG 4.36Å; E577-R581 HydrophobicContact CG-CG 4.36Å; E577-R581 WeakPolarHBondContact O-CB 3.23Å; E577-R581 WeakPolarHBondContact O-CG 3.34Å; E577-R581 PolarHBondContact O-N 3.44Å; E577-R581 IonicContact OE1-CZ 3.33Å; E577-R581 IonicContact OE1-NE 3.46Å; E577-R581 PolarHBondContact OE1-NE 2.93Å; E577-R581 IonicContact OE1-NH2 2.75Å; E577-R581 PolarHBondContact OE1-NH2 3.3Å; A578-R581 PolarHBondContact O-N 3.37Å; R581-D584 PolarHBondContact O-N 3.48Å; R581-S585 VanDerWaalsContact O-CB 3.23Å; R581-S585 WeakPolarHBondContact O-CB 3.46Å; R581-S585 PolarHBondContact O-N 2.91Å; R581-S585 PolarHBondContact O-OG 2.94Å
582	F	97.7	Very high	96.5	Very high	1 Å²	1	15.1 Å²	15.1	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-60.9	-54.2	177.2	-179.9	-83.8	0	0	0	110.2	F483 L487 L490 E525 V526 L529 A578 L579 L580 D584 S585 L586	F483-F582 HydrophobicContact CD1-CB 4.12Å; F483-F582 HydrophobicContact CD1-CD2 4.43Å; F483-F582 VanDerWaalsContact CE1-CA 3.49Å; F483-F582 HydrophobicContact CE1-CB 3.68Å; F483-F582 HydrophobicContact CE1-CD2 4.36Å; F483-F582 HydrophobicContact CZ-CB 4.23Å; F483-F582 HydrophobicContact CZ-CD2 4.41Å; L487-F582 HydrophobicContact CD2-CE1 4.36Å; L490-F582 HydrophobicContact CD1-CE2 3.81Å; L490-F582 HydrophobicContact CD1-CZ 3.41Å; L490-F582 VanDerWaalsContact CD1-CZ 3.41Å; E525-F582 HydrophobicContact CB-CE2 3.96Å; E525-F582 HydrophobicContact CB-CZ 4.47Å; V526-F582 HydrophobicContact CG2-CD1 3.8Å; V526-F582 HydrophobicContact CG2-CE1 3.21Å; V526-F582 HydrophobicContact CG2-CZ 3.65Å; L529-F582 HydrophobicContact CD1-CB 4.43Å; A578-F582 VanDerWaalsContact O-CB 3.32Å; A578-F582 WeakPolarHBondContact O-CB 3.4Å; A578-F582 PolarHBondContact O-N 3.37Å; L579-F582 WeakPolarHBondContact O-CB 3.43Å; L579-F582 PolarHBondContact O-N 2.8Å; L580-F582 VanDerWaalsContact C-N 3.29Å; L580-F582 PolarHBondContact O-N 3.34Å; F582-D584 VanDerWaalsContact C-N 3.34Å; F582-D584 PolarHBondContact O-N 3.03Å; F582-S585 PolarHBondContact O-N 3.15Å; F582-S585 VanDerWaalsContact O-N 3.17Å; F582-S585 PolarHBondContact O-OG 3.35Å; F582-L586 HydrophobicContact CE1-CD2 4.11Å; F582-L586 PolarHBondContact O-N 2.96Å
583	F	98	Very high	96.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.8	-38.1	178.3	-71.3	-60.6	0	0	0	112.6	V526 L579 L580 S585 L586 L590 T623 L627 I655 L656 R658	V526-F583 HydrophobicContact CG1-CZ 3.92Å; V526-F583 HydrophobicContact CG2-CE1 4.36Å; V526-F583 HydrophobicContact CG2-CZ 4.26Å; L579-F583 HydrophobicContact CD1-CD2 4.13Å; L579-F583 HydrophobicContact CD1-CE2 3.5Å; L579-F583 HydrophobicContact CD1-CZ 4.26Å; L579-F583 HydrophobicContact CG-CD2 4.2Å; L579-F583 HydrophobicContact CG-CE2 3.87Å; L579-F583 VanDerWaalsContact O-CD2 3.27Å; L579-F583 WeakPolarHBondContact O-CD2 3.34Å; L579-F583 PolarHBondContact O-N 2.77Å; L580-F583 PolarHBondContact O-N 3.39Å; F583-S585 PolarHBondContact O-N 3.41Å; F583-L586 HydrophobicContact CD1-CD1 3.87Å; F583-L586 PolarHBondContact O-N 3.49Å; F583-L590 HydrophobicContact CD1-CB 4.2Å; F583-L590 HydrophobicContact CD1-CD2 4.02Å; F583-L590 HydrophobicContact CD1-CG 4.5Å; F583-L590 HydrophobicContact CE1-CD1 4.21Å; F583-L590 HydrophobicContact CE1-CD2 3.69Å; F583-L590 HydrophobicContact CE1-CG 4.37Å; F583-L590 HydrophobicContact CZ-CD2 4.17Å; F583-T623 HydrophobicContact CE1-CG2 3.89Å; F583-T623 HydrophobicContact CZ-CG2 4.24Å; F583-L627 HydrophobicContact CD2-CD2 4.24Å; F583-L627 HydrophobicContact CE2-CD1 3.88Å; F583-L627 HydrophobicContact CE2-CD2 3.62Å; F583-L627 HydrophobicContact CE2-CG 4.3Å; F583-L627 HydrophobicContact CZ-CD1 4.32Å; F583-L627 HydrophobicContact CZ-CD2 3.81Å; F583-L627 HydrophobicContact CZ-CG 4.44Å; F583-I655 HydrophobicContact CB-CG2 3.62Å; F583-L656 HydrophobicContact CB-CD2 3.85Å; F583-L656 HydrophobicContact CD1-CD2 4.22Å; F583-L656 HydrophobicContact CD2-CD2 4.12Å; F583-L656 HydrophobicContact CG-CD2 3.81Å; F583-R658 PolarHBondContact O-NH1 3Å
584	D	95.9	Very high	96.2	Very high	50 Å²	50	21.7 Å²	21.7	27%	0.267	11%	0.112	S	C	.	.	H	α-helix	trans	-65	-28.2	177.2	-174.6	45.5	0	0	0	112.3	K443 L580 R581 F582 I655 R658	K443-D584 VanDerWaalsContact CD-O 3.26Å; K443-D584 WeakPolarHBondContact CD-O 3.36Å; K443-D584 IonicContact NZ-OD1 2.96Å; K443-D584 PolarHBondContact NZ-OD1 3.16Å; K443-D584 IonicContact NZ-OD2 3.71Å; K443-D584 PolarHBondContact NZ-OD2 3.25Å; L580-D584 WeakPolarHBondContact O-CB 3.37Å; L580-D584 PolarHBondContact O-N 3.25Å; R581-D584 PolarHBondContact O-N 3.48Å; F582-D584 VanDerWaalsContact C-N 3.34Å; F582-D584 PolarHBondContact O-N 3.03Å; D584-I655 HydrophobicContact CB-CG1 4.42Å; D584-I655 HydrophobicContact CB-CG2 3.91Å; D584-R658 PolarHBondContact O-NH1 2.84Å
585	S	96.6	Very high	96.1	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-82.5	-14.3	179.3	76.8	0	0	0	0	114.8	W447 F483 G484 R581 F582 F583	W447-S585 PolarHBondContact NE1-O 2.92Å; F483-S585 WeakPolarHBondContact CA-OG 3.31Å; G484-S585 VanDerWaalsContact CA-O 3.27Å; G484-S585 WeakPolarHBondContact CA-O 3.4Å; G484-S585 PolarHBondContact N-OG 3.46Å; R581-S585 VanDerWaalsContact O-CB 3.23Å; R581-S585 WeakPolarHBondContact O-CB 3.46Å; R581-S585 PolarHBondContact O-N 2.91Å; R581-S585 PolarHBondContact O-OG 2.94Å; F582-S585 PolarHBondContact O-N 3.15Å; F582-S585 VanDerWaalsContact O-N 3.17Å; F582-S585 PolarHBondContact O-OG 3.35Å; F583-S585 PolarHBondContact O-N 3.41Å
586	L	96	Very high	95.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.123	C	C	.	.			trans	-57.3	143.2	-179.6	-66.4	174.5	0	0	0	110.8	W447 L485 L487 F582 F583 E588 R658	W447-L586 WeakPolarHBondContact CZ2-O 3.38Å; L485-L586 VanDerWaalsContact O-CD2 3.25Å; L485-L586 WeakPolarHBondContact O-CD2 3.17Å; L487-L586 HydrophobicContact CD1-CD1 4.09Å; L487-L586 HydrophobicContact CD2-CD1 3.94Å; L487-L586 HydrophobicContact CD2-CD2 3.83Å; L487-L586 HydrophobicContact CG-CD1 3.9Å; L487-L586 HydrophobicContact CG-CD2 3.98Å; F582-L586 HydrophobicContact CE1-CD2 4.11Å; F582-L586 PolarHBondContact O-N 2.96Å; F583-L586 HydrophobicContact CD1-CD1 3.87Å; F583-L586 PolarHBondContact O-N 3.49Å; L586-E588 WeakPolarHBondContact CB-O 3.43Å; L586-R658 PolarHBondContact O-NH1 3.48Å; L586-R658 PolarHBondContact O-NH2 2.89Å
587	P	93.6	Very high	95.7	Very high	41 Å²	41	28 Å²	28	27%	0.266	14%	0.143	S	C	.	.	S	Bend	trans	-67.3	-45.9	173.8	23.5	-30.9	0	0	0	112.1	W447 L485 R658	W447-P587 HydrophobicContact CG-CB 4.31Å; L485-P587 WeakPolarHBondContact O-CD 3.49Å; P587-R658 PolarHBondContact O-NH2 3.39Å
588	E	94.1	Very high	95.6	Very high	68 Å²	68	29.6 Å²	29.6	32%	0.318	15%	0.153	S	C	.	.	S	Bend	trans	-97.3	123.3	167.3	-178.1	143.7	-156.6	0	0	109.6	L586 P592 W593	L586-E588 WeakPolarHBondContact CB-O 3.43Å; E588-P592 WeakPolarHBondContact OE1-CB 3.45Å; E588-W593 PolarHBondContact OE1-N 3.39Å; E588-W593 VanDerWaalsContact OE1-N 3.08Å
589	P	95.9	Very high	95.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.			trans	-63.4	155.8	-178.9	25	-31.6	0	0	0	111.2	I591 W593 H620 R658	P589-I591 WeakPolarHBondContact CG-O 2.91Å; P589-I591 CarbonylContact O-C 3.52Å; P589-I591 VanDerWaalsContact O-C 3.29Å; P589-I591 PolarHBondContact O-N 3.23Å; P589-W593 HydrophobicContact CG-CD2 3.96Å; P589-W593 HydrophobicContact CG-CE3 4.3Å; P589-W593 HydrophobicContact CG-CH2 4.17Å; P589-W593 HydrophobicContact CG-CZ2 3.77Å; P589-W593 HydrophobicContact CG-CZ3 4.43Å; P589-H620 PolarHBondContact O-CE1 3.38Å; P589-H620 PolarHBondContact O-ND1 3.09Å; P589-R658 HydrophobicContact CB-CB 4.3Å; P589-R658 HydrophobicContact CB-CG 4.28Å; P589-R658 VanDerWaalsContact CD-NH2 3.33Å; P589-R658 HydrophobicContact CG-CB 4.38Å
590	L	96.9	Very high	95.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-57.1	-37.4	-175.3	-175.2	62.3	0	0	0	112.4	L487 F583 P592 H620 T623 F624 L627 L656	L487-L590 HydrophobicContact CD1-CD1 3.58Å; F583-L590 HydrophobicContact CD1-CB 4.2Å; F583-L590 HydrophobicContact CD1-CD2 4.02Å; F583-L590 HydrophobicContact CD1-CG 4.5Å; F583-L590 HydrophobicContact CE1-CD1 4.21Å; F583-L590 HydrophobicContact CE1-CD2 3.69Å; F583-L590 HydrophobicContact CE1-CG 4.37Å; F583-L590 HydrophobicContact CZ-CD2 4.17Å; L590-P592 VanDerWaalsContact O-CD 3.25Å; L590-P592 WeakPolarHBondContact O-CD 3.33Å; L590-H620 PolarHBondContact O-ND1 2.91Å; L590-T623 HydrophobicContact CD1-CG2 3.73Å; L590-F624 HydrophobicContact CD1-CB 4.35Å; L590-F624 HydrophobicContact CD2-CB 4.23Å; L590-F624 HydrophobicContact CD2-CD2 3.91Å; L590-F624 HydrophobicContact CG-CB 4.17Å; L590-F624 HydrophobicContact CG-CD2 4.02Å; L590-L627 HydrophobicContact CD2-CD2 3.69Å; L590-L656 HydrophobicContact CB-CD2 3.95Å; L590-L656 HydrophobicContact CD2-CD1 4.39Å; L590-L656 HydrophobicContact CD2-CD2 3.8Å
591	I	96.5	Very high	95.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.186	C	C	.	.	S	Bend	trans	-82.5	106.1	163	-63.9	167.7	0	0	0	107.1	P589 C599 F616 F624 L656 C657 F683 L684	P589-I591 WeakPolarHBondContact CG-O 2.91Å; P589-I591 CarbonylContact O-C 3.52Å; P589-I591 VanDerWaalsContact O-C 3.29Å; P589-I591 PolarHBondContact O-N 3.23Å; I591-C599 HydrophobicContact CG2-CB 4.42Å; I591-F616 HydrophobicContact CB-CZ 4.31Å; I591-F616 HydrophobicContact CG1-CE2 4.15Å; I591-F616 HydrophobicContact CG1-CZ 4.05Å; I591-F616 HydrophobicContact CG2-CE1 4.47Å; I591-F616 HydrophobicContact CG2-CZ 3.96Å; I591-F624 HydrophobicContact CD1-CE2 4.09Å; I591-F624 HydrophobicContact CG1-CD2 4.23Å; I591-F624 HydrophobicContact CG1-CE2 3.84Å; I591-L656 VanDerWaalsContact CB-O 3.29Å; I591-L656 WeakPolarHBondContact CB-O 3.45Å; I591-L656 HydrophobicContact CD1-CB 4.26Å; I591-L656 HydrophobicContact CG1-CB 4.48Å; I591-L656 PolarHBondContact N-O 2.81Å; I591-C657 HydrophobicContact CB-CB 4.45Å; I591-C657 HydrophobicContact CD1-CB 3.88Å; I591-F683 HydrophobicContact CD1-CD1 4.26Å; I591-F683 HydrophobicContact CD1-CE1 4.07Å; I591-L684 HydrophobicContact CD1-CD2 4.31Å
592	P	95.4	Very high	94.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.			trans	-60.8	152.4	-170.7	-19.1	29.2	0	0	0	112.6	E588 L590 S594 C595 R596 F616 P617 H620	E588-P592 WeakPolarHBondContact OE1-CB 3.45Å; L590-P592 VanDerWaalsContact O-CD 3.25Å; L590-P592 WeakPolarHBondContact O-CD 3.33Å; P592-S594 PolarHBondContact O-N 3.32Å; P592-C595 PolarHBondContact O-N 2.91Å; P592-R596 PolarHBondContact O-N 3.01Å; P592-F616 HydrophobicContact CG-CB 4.39Å; P592-F616 HydrophobicContact CG-CD1 4.35Å; P592-F616 HydrophobicContact CG-CG 4.19Å; P592-P617 VanDerWaalsContact CG-CD 3.49Å; P592-P617 HydrophobicContact CG-CG 4.26Å; P592-H620 HydrophobicContact CG-CB 4.03Å
593	W	94.1	Very high	94.6	Very high	74 Å²	74	34.4 Å²	34.4	28%	0.28	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.9	179.4	-66.2	119.1	0	0	0	112.2	E588 P589 C595 R658	E588-W593 PolarHBondContact OE1-N 3.39Å; E588-W593 VanDerWaalsContact OE1-N 3.08Å; P589-W593 HydrophobicContact CG-CD2 3.96Å; P589-W593 HydrophobicContact CG-CE3 4.3Å; P589-W593 HydrophobicContact CG-CH2 4.17Å; P589-W593 HydrophobicContact CG-CZ2 3.77Å; P589-W593 HydrophobicContact CG-CZ3 4.43Å; W593-C595 VanDerWaalsContact C-N 3.32Å; W593-C595 PolarHBondContact O-N 2.89Å; W593-R658 HydrophobicContact CH2-CB 3.68Å; W593-R658 WeakPolarHBondContact CH2-O 3.49Å; W593-R658 HydrophobicContact CZ2-CB 4.23Å; W593-R658 HydrophobicContact CZ3-CB 4.48Å; W593-R658 WeakPolarHBondContact CZ3-O 3.28Å
594	S	93.2	Very high	94.2	Very high	97 Å²	97	41.4 Å²	41.4	68%	0.678	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.4	178.6	55.8	0	0	0	0	113.9	P592	P592-S594 PolarHBondContact O-N 3.32Å
595	C	93.9	Very high	94	Very high	10 Å²	10	42.5 Å²	42.5	7%	0.068	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-9.1	-177.5	-57.1	0	0	0	0	113.2	P592 W593 D597 L598 C599 F616	P592-C595 PolarHBondContact O-N 2.91Å; W593-C595 VanDerWaalsContact C-N 3.32Å; W593-C595 PolarHBondContact O-N 2.89Å; C595-D597 PolarHBondContact O-N 2.77Å; C595-L598 WeakPolarHBondContact O-CB 3.16Å; C595-L598 PolarHBondContact O-N 3.25Å; C595-C599 PolarHBondContact O-N 3.16Å; C595-C599 PolarHBondContact O-SG 3.29Å; C595-F616 HydrophobicContact CB-CD1 3.68Å; C595-F616 HydrophobicContact CB-CE1 3.59Å
596	R	93.5	Very high	93.6	Very high	42 Å²	42	44.7 Å²	44.7	16%	0.158	23%	0.233	C	C	.	.	H	α-helix	trans	-55.1	-52.5	-172.7	-171.5	-168.3	65.1	-138.9	-13.7	112.9	P592 L598 C599 L600 C657 F659	P592-R596 PolarHBondContact O-N 3.01Å; R596-L598 VanDerWaalsContact C-N 3.29Å; R596-L598 PolarHBondContact O-N 3.33Å; R596-C599 WeakPolarHBondContact O-CB 3.44Å; R596-C599 PolarHBondContact O-N 3.01Å; R596-C599 VanDerWaalsContact O-N 3.1Å; R596-L600 HydrophobicContact CG-CD1 4.43Å; R596-L600 WeakPolarHBondContact O-CG 3.48Å; R596-L600 PolarHBondContact O-N 2.98Å; R596-C657 VanDerWaalsContact CG-SG 3.6Å; R596-F659 HydrophobicContact CG-CE1 4.47Å
597	D	92	Very high	93.3	Very high	81 Å²	81	48.1 Å²	48.1	43%	0.433	25%	0.249	S	C	.	.	H	α-helix	trans	-67.2	-34.7	-173.5	-64.2	-13.4	0	0	0	111.1	C595 L600 Q601	C595-D597 PolarHBondContact O-N 2.77Å; D597-L600 PolarHBondContact O-N 2.96Å; D597-Q601 VanDerWaalsContact O-CG 3.28Å; D597-Q601 WeakPolarHBondContact O-CG 3.34Å; D597-Q601 PolarHBondContact O-N 3.45Å; D597-Q601 VanDerWaalsContact O-N 3.08Å
598	L	94.1	Very high	93.3	Very high	70 Å²	70	49.7 Å²	49.7	37%	0.366	26%	0.255	S	S	.	.	H	α-helix	trans	-60.6	-47.3	170.5	178.6	65	0	0	0	111.2	C595 R596 L600 Q601 C602 A612 M615	C595-L598 WeakPolarHBondContact O-CB 3.16Å; C595-L598 PolarHBondContact O-N 3.25Å; R596-L598 VanDerWaalsContact C-N 3.29Å; R596-L598 PolarHBondContact O-N 3.33Å; L598-L600 VanDerWaalsContact C-N 3.33Å; L598-L600 PolarHBondContact O-N 3.35Å; L598-Q601 PolarHBondContact O-N 3.19Å; L598-C602 PolarHBondContact O-N 3.38Å; L598-C602 PolarHBondContact O-SG 3.47Å; L598-A612 HydrophobicContact CD2-CB 4.07Å; L598-A612 HydrophobicContact CG-CB 3.98Å; L598-M615 HydrophobicContact CD2-CG 4.24Å
599	C	94.8	Very high	93.3	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-43	178.4	-63.3	0	0	0	0	112.1	I591 C595 R596 C602 S603 F616 F683	I591-C599 HydrophobicContact CG2-CB 4.42Å; C595-C599 PolarHBondContact O-N 3.16Å; C595-C599 PolarHBondContact O-SG 3.29Å; R596-C599 WeakPolarHBondContact O-CB 3.44Å; R596-C599 PolarHBondContact O-N 3.01Å; R596-C599 VanDerWaalsContact O-N 3.1Å; C599-C602 PolarHBondContact O-N 2.93Å; C599-S603 PolarHBondContact O-N 3.5Å; C599-F616 VanDerWaalsContact SG-CE1 3.57Å; C599-F683 HydrophobicContact CB-CD1 4.22Å; C599-F683 HydrophobicContact CB-CD2 3.91Å; C599-F683 HydrophobicContact CB-CE1 3.96Å; C599-F683 HydrophobicContact CB-CE2 3.63Å; C599-F683 HydrophobicContact CB-CG 4.19Å; C599-F683 HydrophobicContact CB-CZ 3.64Å; C599-F683 WeakPolarHBondContact O-CD2 3.23Å; C599-F683 VanDerWaalsContact SG-CZ 3.54Å
600	L	93.6	Very high	93	Very high	22 Å²	22	48.6 Å²	48.6	12%	0.115	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-40.2	178.8	-61.8	177.8	0	0	0	112.2	R596 D597 L598 S603 F659 K676 A680	R596-L600 HydrophobicContact CG-CD1 4.43Å; R596-L600 WeakPolarHBondContact O-CG 3.48Å; R596-L600 PolarHBondContact O-N 2.98Å; D597-L600 PolarHBondContact O-N 2.96Å; L598-L600 VanDerWaalsContact C-N 3.33Å; L598-L600 PolarHBondContact O-N 3.35Å; L600-S603 VanDerWaalsContact O-CB 3.29Å; L600-S603 WeakPolarHBondContact O-CB 3.44Å; L600-S603 PolarHBondContact O-N 3.03Å; L600-S603 PolarHBondContact O-OG 3.49Å; L600-F659 HydrophobicContact CD1-CE1 3.91Å; L600-F659 HydrophobicContact CD1-CZ 4.18Å; L600-F659 HydrophobicContact CD2-CZ 4.4Å; L600-K676 HydrophobicContact CD1-CG 4.46Å; L600-A680 HydrophobicContact CD2-CB 3.84Å
601	Q	93.5	Very high	92.8	Very high	148 Å²	148	55.7 Å²	55.7	69%	0.692	28%	0.275	S	S	*	.	H	α-helix	trans	-66.1	-38	177.1	-72.1	172.3	11	0	0	112	D597 L598 S603	D597-Q601 VanDerWaalsContact O-CG 3.28Å; D597-Q601 WeakPolarHBondContact O-CG 3.34Å; D597-Q601 PolarHBondContact O-N 3.45Å; D597-Q601 VanDerWaalsContact O-N 3.08Å; L598-Q601 PolarHBondContact O-N 3.19Å; Q601-S603 VanDerWaalsContact C-N 3.27Å; Q601-S603 PolarHBondContact O-N 3.29Å
602	C	93	Very high	92.7	Very high	14 Å²	14	55.7 Å²	55.7	10%	0.095	28%	0.275	C	S	.	.	H	α-helix	trans	-77.5	-7.4	179.2	-63.3	0	0	0	0	114.1	L598 C599 H604 D605 L608 C609 A612	L598-C602 PolarHBondContact O-N 3.38Å; L598-C602 PolarHBondContact O-SG 3.47Å; C599-C602 PolarHBondContact O-N 2.93Å; C602-H604 PolarHBondContact O-N 3.33Å; C602-D605 PolarHBondContact O-N 3.08Å; C602-L608 HydrophobicContact CB-CB 3.79Å; C602-C609 PolarHBondContact O-SG 3.44Å; C602-A612 HydrophobicContact CB-CB 4.49Å
603	S	92.6	Very high	92.7	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.014	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-14.4	-168.5	62.8	0	0	0	0	117.1	C599 L600 Q601 S679 R682 S686	C599-S603 PolarHBondContact O-N 3.5Å; L600-S603 VanDerWaalsContact O-CB 3.29Å; L600-S603 WeakPolarHBondContact O-CB 3.44Å; L600-S603 PolarHBondContact O-N 3.03Å; L600-S603 PolarHBondContact O-OG 3.49Å; Q601-S603 VanDerWaalsContact C-N 3.27Å; Q601-S603 PolarHBondContact O-N 3.29Å; S603-S679 VanDerWaalsContact CB-O 3.25Å; S603-S679 WeakPolarHBondContact CB-O 3.4Å; S603-R682 PolarHBondContact OG-NH1 3.22Å; S603-S686 PolarHBondContact O-OG 3.38Å
604	H	89.7	Confident	92.6	Very high	146 Å²	146	57.7 Å²	57.7	68%	0.676	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-9	179.8	-63.8	-78.6	0	0	0	114.6	C602 R682	C602-H604 PolarHBondContact O-N 3.33Å; H604-R682 PolarHBondContact CE1-NH1 3.08Å; H604-R682 PolarHBondContact NE2-NH1 2.84Å
605	D	91.5	Very high	92.7	Very high	73 Å²	73	58.7 Å²	58.7	39%	0.39	28%	0.282	S	S	.	.			trans	-131.6	115.9	-175.7	-176.8	-41.4	0	0	0	110.5	C602 E607 L608 C609	C602-D605 PolarHBondContact O-N 3.08Å; D605-E607 VanDerWaalsContact C-N 3.28Å; D605-E607 PolarHBondContact O-N 2.78Å; D605-E607 WeakPolarHBondContact OD1-CA 3.25Å; D605-E607 WeakPolarHBondContact OD1-CB 3.29Å; D605-E607 PolarHBondContact OD1-N 3.33Å; D605-L608 HydrophobicContact CB-CB 3.98Å; D605-L608 HydrophobicContact CB-CD1 3.89Å; D605-L608 HydrophobicContact CB-CG 3.9Å; D605-L608 PolarHBondContact O-N 2.81Å; D605-L608 PolarHBondContact OD1-N 2.92Å; D605-L608 VanDerWaalsContact OD1-N 3.13Å; D605-C609 PolarHBondContact O-N 3.37Å; D605-C609 PolarHBondContact O-SG 2.92Å
606	S	88.4	Confident	92.8	Very high	48 Å²	48	58.7 Å²	58.7	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-32.3	-176	74.9	0	0	0	0	114	R610	S606-R610 WeakPolarHBondContact O-CG 3.2Å; S606-R610 PolarHBondContact O-N 3.38Å; S606-R610 VanDerWaalsContact O-N 3.16Å; S606-R610 PolarHBondContact O-NH1 3.32Å; S606-R610 PolarHBondContact OG-NH1 3Å
607	E	89.7	Confident	92.8	Very high	73 Å²	73	59.3 Å²	59.3	34%	0.341	29%	0.29	S	S	.	.	H	α-helix	trans	-75.4	-40.7	178.4	177.1	57	-157.5	0	0	110.7	D605 C609 R610 R611	D605-E607 VanDerWaalsContact C-N 3.28Å; D605-E607 PolarHBondContact O-N 2.78Å; D605-E607 WeakPolarHBondContact OD1-CA 3.25Å; D605-E607 WeakPolarHBondContact OD1-CB 3.29Å; D605-E607 PolarHBondContact OD1-N 3.33Å; E607-C609 VanDerWaalsContact C-N 3.34Å; E607-R610 PolarHBondContact O-N 3.32Å; E607-R610 IonicContact OE2-CZ 2.71Å; E607-R610 VanDerWaalsContact OE2-CZ 3.24Å; E607-R610 IonicContact OE2-NE 3.22Å; E607-R610 PolarHBondContact OE2-NE 2.95Å; E607-R610 IonicContact OE2-NH2 3.27Å; E607-R610 PolarHBondContact OE2-NH2 3.48Å; E607-R611 WeakPolarHBondContact O-CG 3.37Å; E607-R611 PolarHBondContact O-N 2.87Å; E607-R611 IonicContact OE1-CZ 3.7Å; E607-R611 IonicContact OE1-NE 3Å; E607-R611 PolarHBondContact OE1-NE 2.75Å; E607-R611 IonicContact OE1-NH2 2.91Å; E607-R611 PolarHBondContact OE1-NH2 3.33Å
608	L	93	Very high	92.7	Very high	74 Å²	74	60.5 Å²	60.5	39%	0.387	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-39	172.8	-62.9	-177.1	0	0	0	111.6	C602 D605 R610 R611 A612	C602-L608 HydrophobicContact CB-CB 3.79Å; D605-L608 HydrophobicContact CB-CB 3.98Å; D605-L608 HydrophobicContact CB-CD1 3.89Å; D605-L608 HydrophobicContact CB-CG 3.9Å; D605-L608 PolarHBondContact O-N 2.81Å; D605-L608 PolarHBondContact OD1-N 2.92Å; D605-L608 VanDerWaalsContact OD1-N 3.13Å; L608-R610 VanDerWaalsContact C-N 3.33Å; L608-R610 PolarHBondContact O-N 3.44Å; L608-R611 PolarHBondContact O-N 3.1Å; L608-A612 WeakPolarHBondContact O-CB 3.3Å; L608-A612 PolarHBondContact O-N 3.32Å
609	C	94.1	Very high	92.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57	-46.4	173.5	-69.8	0	0	0	0	111.7	C602 D605 E607 R611 A612 V613 F683 L687	C602-C609 PolarHBondContact O-SG 3.44Å; D605-C609 PolarHBondContact O-N 3.37Å; D605-C609 PolarHBondContact O-SG 2.92Å; E607-C609 VanDerWaalsContact C-N 3.34Å; C609-R611 VanDerWaalsContact C-N 3.34Å; C609-R611 PolarHBondContact O-N 3.19Å; C609-A612 PolarHBondContact O-N 3.36Å; C609-V613 VanDerWaalsContact O-CG2 3.26Å; C609-V613 WeakPolarHBondContact O-CG2 3.25Å; C609-V613 PolarHBondContact O-N 3.32Å; C609-V613 VanDerWaalsContact O-N 3.08Å; C609-F683 HydrophobicContact CB-CD2 3.96Å; C609-F683 HydrophobicContact CB-CE2 3.75Å; C609-F683 WeakPolarHBondContact SG-CD2 3.39Å; C609-L687 HydrophobicContact CB-CD2 3.65Å; C609-L687 HydrophobicContact CB-CG 3.91Å
610	R	90.8	Very high	92.6	Very high	44 Å²	44	58.3 Å²	58.3	17%	0.166	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-41.2	177.1	-74.7	-174.5	-66.9	-87.6	6.9	112.1	S606 E607 L608 V613 K614 L687 V695	S606-R610 WeakPolarHBondContact O-CG 3.2Å; S606-R610 PolarHBondContact O-N 3.38Å; S606-R610 VanDerWaalsContact O-N 3.16Å; S606-R610 PolarHBondContact O-NH1 3.32Å; S606-R610 PolarHBondContact OG-NH1 3Å; E607-R610 PolarHBondContact O-N 3.32Å; E607-R610 IonicContact OE2-CZ 2.71Å; E607-R610 VanDerWaalsContact OE2-CZ 3.24Å; E607-R610 IonicContact OE2-NE 3.22Å; E607-R610 PolarHBondContact OE2-NE 2.95Å; E607-R610 IonicContact OE2-NH2 3.27Å; E607-R610 PolarHBondContact OE2-NH2 3.48Å; L608-R610 VanDerWaalsContact C-N 3.33Å; L608-R610 PolarHBondContact O-N 3.44Å; R610-V613 PolarHBondContact O-N 3.02Å; R610-K614 PolarHBondContact O-N 2.85Å; R610-L687 HydrophobicContact CG-CD2 4.06Å; R610-V695 HydrophobicContact CG-CG2 4.05Å
611	R	91.8	Very high	92.7	Very high	149 Å²	149	59.7 Å²	59.7	56%	0.562	30%	0.297	S	S	*	.	H	α-helix	trans	-65.6	-39.3	176.4	-69.6	177	-173.8	-163.7	0.3	112.1	E607 L608 C609 K614	E607-R611 WeakPolarHBondContact O-CG 3.37Å; E607-R611 PolarHBondContact O-N 2.87Å; E607-R611 IonicContact OE1-CZ 3.7Å; E607-R611 IonicContact OE1-NE 3Å; E607-R611 PolarHBondContact OE1-NE 2.75Å; E607-R611 IonicContact OE1-NH2 2.91Å; E607-R611 PolarHBondContact OE1-NH2 3.33Å; L608-R611 PolarHBondContact O-N 3.1Å; C609-R611 VanDerWaalsContact C-N 3.34Å; C609-R611 PolarHBondContact O-N 3.19Å; R611-K614 PolarHBondContact O-N 3.33Å
612	A	94.3	Very high	92.7	Very high	2 Å²	2	54 Å²	54	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-42.1	176.3	0	0	0	0	0	111.9	L598 C602 L608 C609 K614 M615 F683	L598-A612 HydrophobicContact CD2-CB 4.07Å; L598-A612 HydrophobicContact CG-CB 3.98Å; C602-A612 HydrophobicContact CB-CB 4.49Å; L608-A612 WeakPolarHBondContact O-CB 3.3Å; L608-A612 PolarHBondContact O-N 3.32Å; C609-A612 PolarHBondContact O-N 3.36Å; A612-K614 VanDerWaalsContact C-N 3.3Å; A612-K614 PolarHBondContact O-N 3.36Å; A612-M615 WeakPolarHBondContact O-CB 3.27Å; A612-M615 PolarHBondContact O-N 3.2Å; A612-M615 VanDerWaalsContact O-N 3.08Å; A612-F683 HydrophobicContact CB-CE2 4.29Å
613	V	94.5	Very high	92.9	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-40.8	177.1	176	0	0	0	0	111.1	C609 R610 M615 F616 L621 F624 F683 L687	C609-V613 VanDerWaalsContact O-CG2 3.26Å; C609-V613 WeakPolarHBondContact O-CG2 3.25Å; C609-V613 PolarHBondContact O-N 3.32Å; C609-V613 VanDerWaalsContact O-N 3.08Å; R610-V613 PolarHBondContact O-N 3.02Å; V613-M615 PolarHBondContact O-N 3.03Å; V613-F616 HydrophobicContact CG1-CD2 4.46Å; V613-F616 HydrophobicContact CG1-CE2 4.48Å; V613-F616 WeakPolarHBondContact O-CB 3.43Å; V613-F616 WeakPolarHBondContact O-CD1 3.49Å; V613-F616 VanDerWaalsContact O-CG 3.28Å; V613-F616 WeakPolarHBondContact O-CG 3.43Å; V613-F616 PolarHBondContact O-N 3.16Å; V613-L621 HydrophobicContact CG1-CD1 3.8Å; V613-L621 WeakPolarHBondContact O-CD1 3.4Å; V613-F624 HydrophobicContact CG1-CD1 3.69Å; V613-F624 HydrophobicContact CG1-CE1 3.99Å; V613-F624 HydrophobicContact CG2-CD1 4.32Å; V613-F624 HydrophobicContact CG2-CE1 3.79Å; V613-F624 HydrophobicContact CG2-CZ 4.47Å; V613-F683 HydrophobicContact CG2-CZ 3.9Å; V613-L687 HydrophobicContact CG2-CD1 3.74Å; V613-L687 HydrophobicContact CG2-CD2 4.19Å
614	K	93.7	Very high	93	Very high	113 Å²	113	53.3 Å²	53.3	49%	0.491	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-12.1	178.3	-69	-180	-178.7	-178.3	0	114.1	R610 R611 A612	R610-K614 PolarHBondContact O-N 2.85Å; R611-K614 PolarHBondContact O-N 3.33Å; A612-K614 VanDerWaalsContact C-N 3.3Å; A612-K614 PolarHBondContact O-N 3.36Å
615	M	94.8	Very high	93.3	Very high	119 Å²	119	47.5 Å²	47.5	59%	0.586	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.9	175.3	-55.9	-68.3	81.3	0	0	113.4	L598 A612 V613	L598-M615 HydrophobicContact CD2-CG 4.24Å; A612-M615 WeakPolarHBondContact O-CB 3.27Å; A612-M615 PolarHBondContact O-N 3.2Å; A612-M615 VanDerWaalsContact O-N 3.08Å; V613-M615 PolarHBondContact O-N 3.03Å
616	F	95.5	Very high	93.5	Very high	10 Å²	10	46 Å²	46	4%	0.044	23%	0.234	C	C	.	.	S	Bend	trans	-68.8	148.2	179.4	-68	7.1	0	0	0	110.8	I591 P592 C595 C599 V613 H620 L621 F624	I591-F616 HydrophobicContact CB-CZ 4.31Å; I591-F616 HydrophobicContact CG1-CE2 4.15Å; I591-F616 HydrophobicContact CG1-CZ 4.05Å; I591-F616 HydrophobicContact CG2-CE1 4.47Å; I591-F616 HydrophobicContact CG2-CZ 3.96Å; P592-F616 HydrophobicContact CG-CB 4.39Å; P592-F616 HydrophobicContact CG-CD1 4.35Å; P592-F616 HydrophobicContact CG-CG 4.19Å; C595-F616 HydrophobicContact CB-CD1 3.68Å; C595-F616 HydrophobicContact CB-CE1 3.59Å; C599-F616 VanDerWaalsContact SG-CE1 3.57Å; V613-F616 HydrophobicContact CG1-CD2 4.46Å; V613-F616 HydrophobicContact CG1-CE2 4.48Å; V613-F616 WeakPolarHBondContact O-CB 3.43Å; V613-F616 WeakPolarHBondContact O-CD1 3.49Å; V613-F616 VanDerWaalsContact O-CG 3.28Å; V613-F616 WeakPolarHBondContact O-CG 3.43Å; V613-F616 PolarHBondContact O-N 3.16Å; F616-H620 HydrophobicContact CB-CB 4.21Å; F616-L621 HydrophobicContact CB-CB 3.96Å; F616-F624 HydrophobicContact CD2-CB 4.22Å; F616-F624 HydrophobicContact CD2-CG 4.29Å; F616-F624 HydrophobicContact CE2-CB 4.28Å; F616-F624 HydrophobicContact CE2-CD1 4.24Å; F616-F624 AromaticContact CE2-CD2 3.92Å; F616-F624 HydrophobicContact CE2-CD2 3.92Å; F616-F624 HydrophobicContact CE2-CE2 4.33Å; F616-F624 AromaticContact CE2-CG 3.88Å; F616-F624 HydrophobicContact CE2-CG 3.88Å
617	P	93.3	Very high	93.9	Very high	55 Å²	55	43.8 Å²	43.8	36%	0.357	22%	0.219	S	C	.	.			trans	-54.4	153.6	169.2	-23.7	33.9	0	0	0	111.8	P592 C619 H620 L621	P592-P617 VanDerWaalsContact CG-CD 3.49Å; P592-P617 HydrophobicContact CG-CG 4.26Å; P617-C619 PolarHBondContact O-N 3.25Å; P617-H620 CarbonylContact O-C 3.6Å; P617-H620 PolarHBondContact O-N 3.39Å; P617-H620 VanDerWaalsContact O-N 3.07Å; P617-L621 WeakPolarHBondContact O-CB 3.17Å; P617-L621 PolarHBondContact O-N 2.69Å
618	T	91.4	Very high	94.2	Very high	106 Å²	106	40.5 Å²	40.5	65%	0.65	20%	0.204	S	C	*	.	H	α-helix	trans	-50.5	-49.1	-170.1	-49.7	0	0	0	0	114.4	A622	T618-A622 WeakPolarHBondContact O-CB 3.39Å; T618-A622 PolarHBondContact O-N 2.67Å
619	C	91.3	Very high	94.3	Very high	22 Å²	22	40 Å²	40	15%	0.149	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-42.3	-179.6	-66.6	0	0	0	0	112.1	L487 P617 T623	L487-C619 HydrophobicContact CB-CB 4.39Å; P617-C619 PolarHBondContact O-N 3.25Å; C619-T623 VanDerWaalsContact O-CB 3.26Å; C619-T623 WeakPolarHBondContact O-CB 3.31Å; C619-T623 PolarHBondContact O-N 3.28Å; C619-T623 PolarHBondContact O-OG1 3.17Å
620	H	95.2	Very high	94.4	Very high	2 Å²	2	40 Å²	40	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-45.3	175.7	-79.1	-103	0	0	0	111.9	E488 P589 L590 P592 F616 P617 T623 F624	E488-H620 IonicContact OE1-CD2 3.29Å; E488-H620 PolarHBondContact OE1-CD2 2.6Å; E488-H620 VanDerWaalsContact OE1-CD2 3.24Å; E488-H620 IonicContact OE1-NE2 3.29Å; P589-H620 PolarHBondContact O-CE1 3.38Å; P589-H620 PolarHBondContact O-ND1 3.09Å; L590-H620 PolarHBondContact O-ND1 2.91Å; P592-H620 HydrophobicContact CG-CB 4.03Å; F616-H620 HydrophobicContact CB-CB 4.21Å; P617-H620 CarbonylContact O-C 3.6Å; P617-H620 PolarHBondContact O-N 3.39Å; P617-H620 VanDerWaalsContact O-N 3.07Å; H620-T623 PolarHBondContact O-N 2.9Å; H620-F624 WeakPolarHBondContact O-CB 3.39Å; H620-F624 PolarHBondContact O-N 3.36Å
621	L	94.8	Very high	94.7	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.267	20%	0.196	S	C	.	.	H	α-helix	trans	-59.1	-52.3	177.3	174.5	57.5	0	0	0	110.8	V613 F616 P617 T623 F624 T625	V613-L621 HydrophobicContact CG1-CD1 3.8Å; V613-L621 WeakPolarHBondContact O-CD1 3.4Å; F616-L621 HydrophobicContact CB-CB 3.96Å; P617-L621 WeakPolarHBondContact O-CB 3.17Å; P617-L621 PolarHBondContact O-N 2.69Å; L621-T623 PolarHBondContact O-N 2.8Å; L621-F624 PolarHBondContact O-N 3.17Å; L621-T625 WeakPolarHBondContact O-CB 3.27Å; L621-T625 PolarHBondContact O-N 3.05Å; L621-T625 PolarHBondContact O-OG1 2.98Å; L621-T625 VanDerWaalsContact O-OG1 3.06Å
622	A	94	Very high	94.9	Very high	28 Å²	28	31.8 Å²	31.8	23%	0.231	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-45.1	-178.7	0	0	0	0	0	111.9	V522 T618 Y626	V522-A622 HydrophobicContact CG2-CB 4.14Å; T618-A622 WeakPolarHBondContact O-CB 3.39Å; T618-A622 PolarHBondContact O-N 2.67Å; A622-Y626 VanDerWaalsContact O-CB 3.28Å; A622-Y626 WeakPolarHBondContact O-CB 3.46Å; A622-Y626 PolarHBondContact O-N 3.44Å
623	T	96	Very high	95	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.6	-41.4	179.5	-56	0	0	0	0	111.5	L487 S521 P523 V526 F583 L590 C619 H620 L621 Y626 L627	L487-T623 HydrophobicContact CD2-CG2 4.23Å; S521-T623 PolarHBondContact O-OG1 3.4Å; P523-T623 WeakPolarHBondContact CD-OG1 3.49Å; V526-T623 HydrophobicContact CG1-CG2 4.26Å; V526-T623 HydrophobicContact CG2-CG2 4.43Å; F583-T623 HydrophobicContact CE1-CG2 3.89Å; F583-T623 HydrophobicContact CZ-CG2 4.24Å; L590-T623 HydrophobicContact CD1-CG2 3.73Å; C619-T623 VanDerWaalsContact O-CB 3.26Å; C619-T623 WeakPolarHBondContact O-CB 3.31Å; C619-T623 PolarHBondContact O-N 3.28Å; C619-T623 PolarHBondContact O-OG1 3.17Å; H620-T623 PolarHBondContact O-N 2.9Å; L621-T623 PolarHBondContact O-N 2.8Å; T623-Y626 PolarHBondContact O-N 3.44Å; T623-L627 WeakPolarHBondContact O-CB 3.44Å; T623-L627 PolarHBondContact O-N 3.25Å
624	F	96.4	Very high	95.1	Very high	3 Å²	3	34 Å²	34	1%	0.013	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-46	177.2	-174.6	-86.7	0	0	0	111.7	L590 I591 V613 F616 H620 L621 Y626 L627 L628 L656 F683 L684 L687	L590-F624 HydrophobicContact CD1-CB 4.35Å; L590-F624 HydrophobicContact CD2-CB 4.23Å; L590-F624 HydrophobicContact CD2-CD2 3.91Å; L590-F624 HydrophobicContact CG-CB 4.17Å; L590-F624 HydrophobicContact CG-CD2 4.02Å; I591-F624 HydrophobicContact CD1-CE2 4.09Å; I591-F624 HydrophobicContact CG1-CD2 4.23Å; I591-F624 HydrophobicContact CG1-CE2 3.84Å; V613-F624 HydrophobicContact CG1-CD1 3.69Å; V613-F624 HydrophobicContact CG1-CE1 3.99Å; V613-F624 HydrophobicContact CG2-CD1 4.32Å; V613-F624 HydrophobicContact CG2-CE1 3.79Å; V613-F624 HydrophobicContact CG2-CZ 4.47Å; F616-F624 HydrophobicContact CD2-CB 4.22Å; F616-F624 HydrophobicContact CD2-CG 4.29Å; F616-F624 HydrophobicContact CE2-CB 4.28Å; F616-F624 HydrophobicContact CE2-CD1 4.24Å; F616-F624 AromaticContact CE2-CD2 3.92Å; F616-F624 HydrophobicContact CE2-CD2 3.92Å; F616-F624 HydrophobicContact CE2-CE2 4.33Å; F616-F624 AromaticContact CE2-CG 3.88Å; F616-F624 HydrophobicContact CE2-CG 3.88Å; H620-F624 WeakPolarHBondContact O-CB 3.39Å; H620-F624 PolarHBondContact O-N 3.36Å; L621-F624 PolarHBondContact O-N 3.17Å; F624-Y626 VanDerWaalsContact C-N 3.34Å; F624-Y626 PolarHBondContact O-N 3.24Å; F624-L627 PolarHBondContact O-N 3.28Å; F624-L628 HydrophobicContact CE1-CB 4.4Å; F624-L628 HydrophobicContact CE1-CD2 4.16Å; F624-L628 WeakPolarHBondContact O-CB 3.45Å; F624-L628 PolarHBondContact O-N 3.48Å; F624-L656 HydrophobicContact CE2-CD1 4.47Å; F624-F683 HydrophobicContact CZ-CE1 4.31Å; F624-L684 HydrophobicContact CE2-CD2 3.96Å; F624-L684 HydrophobicContact CZ-CD2 3.87Å; F624-L687 HydrophobicContact CE1-CD1 3.9Å; F624-L687 HydrophobicContact CZ-CD1 3.82Å
625	T	94.8	Very high	95.2	Very high	24 Å²	24	30.2 Å²	30.2	15%	0.147	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-41.8	177.1	-63.5	0	0	0	0	111.4	L621 L628 N629 V695	L621-T625 WeakPolarHBondContact O-CB 3.27Å; L621-T625 PolarHBondContact O-N 3.05Å; L621-T625 PolarHBondContact O-OG1 2.98Å; L621-T625 VanDerWaalsContact O-OG1 3.06Å; T625-L628 PolarHBondContact O-N 3.21Å; T625-N629 WeakPolarHBondContact O-CB 3.48Å; T625-N629 VanDerWaalsContact O-CG 3.29Å; T625-N629 PolarHBondContact O-N 3.35Å; T625-N629 PolarHBondContact O-ND2 3.24Å; T625-V695 HydrophobicContact CG2-CG1 4Å
626	Y	95.3	Very high	95.2	Very high	40 Å²	40	30.9 Å²	30.9	16%	0.157	17%	0.167	C	C	.	.	H	α-helix	trans	-63	-47.2	176.7	-179.9	-108.1	0	0	0	112.1	V522 V526 F527 V530 E531 A622 T623 F624 N629 F630	V522-Y626 HydrophobicContact CG1-CD1 3.76Å; V522-Y626 HydrophobicContact CG1-CE1 4.24Å; V522-Y626 HydrophobicContact CG1-CG 4.3Å; V522-Y626 HydrophobicContact CG2-CD1 4.48Å; V522-Y626 HydrophobicContact CG2-CG 4.2Å; V526-Y626 HydrophobicContact CG1-CD1 4.41Å; F527-Y626 HydrophobicContact CD2-CE1 4.44Å; F527-Y626 HydrophobicContact CD2-CE2 4.35Å; F527-Y626 AromaticContact CD2-CZ 3.78Å; F527-Y626 WeakPolarHBondContact CD2-OH 3.39Å; V530-Y626 HydrophobicContact CB-CE1 3.66Å; V530-Y626 HydrophobicContact CG1-CD1 4.47Å; V530-Y626 HydrophobicContact CG1-CE1 3.61Å; V530-Y626 HydrophobicContact CG2-CD1 4.5Å; V530-Y626 HydrophobicContact CG2-CE1 3.93Å; E531-Y626 PolarHBondContact OE1-OH 3.21Å; A622-Y626 VanDerWaalsContact O-CB 3.28Å; A622-Y626 WeakPolarHBondContact O-CB 3.46Å; A622-Y626 PolarHBondContact O-N 3.44Å; T623-Y626 PolarHBondContact O-N 3.44Å; F624-Y626 VanDerWaalsContact C-N 3.34Å; F624-Y626 PolarHBondContact O-N 3.24Å; Y626-N629 PolarHBondContact O-N 2.69Å; Y626-F630 PolarHBondContact O-N 3.41Å; Y626-F630 VanDerWaalsContact O-N 3.16Å
627	L	96.9	Very high	95.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-46.3	174.5	179.5	66.2	0	0	0	111.5	L579 F583 L590 T623 F624 N629 F630 L631 F652 L656	L579-L627 HydrophobicContact CD2-CD1 4.17Å; F583-L627 HydrophobicContact CD2-CD2 4.24Å; F583-L627 HydrophobicContact CE2-CD1 3.88Å; F583-L627 HydrophobicContact CE2-CD2 3.62Å; F583-L627 HydrophobicContact CE2-CG 4.3Å; F583-L627 HydrophobicContact CZ-CD1 4.32Å; F583-L627 HydrophobicContact CZ-CD2 3.81Å; F583-L627 HydrophobicContact CZ-CG 4.44Å; L590-L627 HydrophobicContact CD2-CD2 3.69Å; T623-L627 WeakPolarHBondContact O-CB 3.44Å; T623-L627 PolarHBondContact O-N 3.25Å; F624-L627 PolarHBondContact O-N 3.28Å; L627-N629 VanDerWaalsContact C-N 3.31Å; L627-N629 PolarHBondContact O-N 2.93Å; L627-F630 HydrophobicContact CD1-CD1 4.31Å; L627-F630 WeakPolarHBondContact O-CB 3.35Å; L627-F630 PolarHBondContact O-N 3.38Å; L627-L631 HydrophobicContact CD1-CD1 4.38Å; L627-L631 HydrophobicContact CD1-CG 4.22Å; L627-L631 HydrophobicContact CD2-CD1 4.5Å; L627-L631 HydrophobicContact CG-CD1 4.04Å; L627-L631 HydrophobicContact CG-CG 4.26Å; L627-L631 WeakPolarHBondContact O-CG 3.32Å; L627-L631 PolarHBondContact O-N 3.02Å; L627-F652 HydrophobicContact CD1-CE1 4.3Å; L627-F652 HydrophobicContact CD2-CD1 4.37Å; L627-F652 HydrophobicContact CD2-CE1 4.32Å; L627-L656 HydrophobicContact CD2-CD1 3.86Å; L627-L656 HydrophobicContact CD2-CD2 4.04Å
628	L	96	Very high	95.3	Very high	5 Å²	5	35 Å²	35	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-42	-178.5	-178.1	68.7	0	0	0	111.4	F624 T625 L631 K632 L687 L688	F624-L628 HydrophobicContact CE1-CB 4.4Å; F624-L628 HydrophobicContact CE1-CD2 4.16Å; F624-L628 WeakPolarHBondContact O-CB 3.45Å; F624-L628 PolarHBondContact O-N 3.48Å; T625-L628 PolarHBondContact O-N 3.21Å; L628-L631 PolarHBondContact O-N 2.97Å; L628-K632 WeakPolarHBondContact O-CG 3.37Å; L628-K632 PolarHBondContact O-N 2.84Å; L628-L687 HydrophobicContact CD1-CB 3.93Å; L628-L687 HydrophobicContact CD2-CB 4.11Å; L628-L688 HydrophobicContact CD1-CD2 3.75Å; L628-L688 HydrophobicContact CD1-CG 4.15Å
629	N	95.2	Very high	95.5	Very high	63 Å²	63	34.6 Å²	34.6	34%	0.337	19%	0.189	S	C	.	.	H	α-helix	trans	-63.2	-44.5	176.6	-74.5	-21.2	0	0	0	111.5	T625 Y626 L627 K632 E633	T625-N629 WeakPolarHBondContact O-CB 3.48Å; T625-N629 VanDerWaalsContact O-CG 3.29Å; T625-N629 PolarHBondContact O-N 3.35Å; T625-N629 PolarHBondContact O-ND2 3.24Å; Y626-N629 PolarHBondContact O-N 2.69Å; L627-N629 VanDerWaalsContact C-N 3.31Å; L627-N629 PolarHBondContact O-N 2.93Å; N629-K632 WeakPolarHBondContact O-CB 3.46Å; N629-K632 PolarHBondContact O-N 3.14Å; N629-E633 WeakPolarHBondContact O-CG 3.29Å; N629-E633 PolarHBondContact O-N 3.37Å
630	F	96.3	Very high	95.7	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-45.5	173.3	165.8	-110.3	0	0	0	112.3	V530 L533 R534 L538 F544 L579 Y626 L627 K632 E633 V634	V530-F630 HydrophobicContact CG1-CB 3.67Å; V530-F630 HydrophobicContact CG1-CD1 4.05Å; V530-F630 HydrophobicContact CG1-CD2 3.82Å; V530-F630 HydrophobicContact CG1-CG 3.55Å; V530-F630 HydrophobicContact CG2-CD1 4.34Å; L533-F630 HydrophobicContact CB-CE2 4.03Å; L533-F630 HydrophobicContact CB-CZ 3.6Å; L533-F630 HydrophobicContact CD1-CE1 4.38Å; L533-F630 HydrophobicContact CD1-CZ 4.17Å; R534-F630 HydrophobicContact CB-CD2 4.28Å; R534-F630 HydrophobicContact CB-CE2 4.21Å; L538-F630 HydrophobicContact CD2-CE2 4.29Å; F544-F630 HydrophobicContact CE2-CE1 4.31Å; F544-F630 AromaticContact CZ-CE1 3.91Å; F544-F630 HydrophobicContact CZ-CE1 3.91Å; F544-F630 HydrophobicContact CZ-CZ 4.32Å; L579-F630 HydrophobicContact CD2-CE1 4.36Å; Y626-F630 PolarHBondContact O-N 3.41Å; Y626-F630 VanDerWaalsContact O-N 3.16Å; L627-F630 HydrophobicContact CD1-CD1 4.31Å; L627-F630 WeakPolarHBondContact O-CB 3.35Å; L627-F630 PolarHBondContact O-N 3.38Å; F630-K632 VanDerWaalsContact C-N 3.29Å; F630-K632 PolarHBondContact O-N 3.1Å; F630-E633 WeakPolarHBondContact O-CA 3.25Å; F630-E633 VanDerWaalsContact O-CB 3.32Å; F630-E633 WeakPolarHBondContact O-CB 3.43Å; F630-E633 PolarHBondContact O-N 3.23Å; F630-V634 HydrophobicContact CD2-CG2 4.33Å; F630-V634 HydrophobicContact CE1-CG2 4.03Å; F630-V634 HydrophobicContact CE2-CG2 3.78Å; F630-V634 HydrophobicContact CZ-CG2 3.6Å; F630-V634 WeakPolarHBondContact O-CG2 3.45Å; F630-V634 PolarHBondContact O-N 3.25Å
631	L	97.3	Very high	95.7	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-34.1	177.6	-66	179.1	0	0	0	112.1	F544 L627 L628 E633 V634 V635 L648 F652 L688	F544-L631 HydrophobicContact CE2-CD2 4.26Å; L627-L631 HydrophobicContact CD1-CD1 4.38Å; L627-L631 HydrophobicContact CD1-CG 4.22Å; L627-L631 HydrophobicContact CD2-CD1 4.5Å; L627-L631 HydrophobicContact CG-CD1 4.04Å; L627-L631 HydrophobicContact CG-CG 4.26Å; L627-L631 WeakPolarHBondContact O-CG 3.32Å; L627-L631 PolarHBondContact O-N 3.02Å; L628-L631 PolarHBondContact O-N 2.97Å; L631-E633 VanDerWaalsContact C-N 3.32Å; L631-V634 WeakPolarHBondContact O-CB 3.4Å; L631-V634 PolarHBondContact O-N 3.08Å; L631-V635 WeakPolarHBondContact O-CG2 3.39Å; L631-V635 PolarHBondContact O-N 3.41Å; L631-L648 HydrophobicContact CB-CD1 4.43Å; L631-L648 HydrophobicContact CD2-CD1 4.37Å; L631-F652 HydrophobicContact CD1-CD1 4.22Å; L631-F652 HydrophobicContact CD1-CD2 4.35Å; L631-F652 HydrophobicContact CD1-CE1 4.24Å; L631-F652 HydrophobicContact CD1-CE2 4.38Å; L631-F652 HydrophobicContact CD1-CG 4.26Å; L631-F652 HydrophobicContact CD1-CZ 4.32Å; L631-F652 HydrophobicContact CD2-CD2 4.47Å; L631-F652 HydrophobicContact CD2-CE1 4.27Å; L631-F652 HydrophobicContact CD2-CE2 3.77Å; L631-F652 HydrophobicContact CD2-CZ 3.65Å; L631-L688 HydrophobicContact CB-CD2 3.55Å
632	K	95.7	Very high	95.6	Very high	13 Å²	13	39.8 Å²	39.8	6%	0.057	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-37	170.7	-74.5	-176.3	178.3	-168.2	0	112.1	L628 N629 F630 V635 K636 L687 L688 S690	L628-K632 WeakPolarHBondContact O-CG 3.37Å; L628-K632 PolarHBondContact O-N 2.84Å; N629-K632 WeakPolarHBondContact O-CB 3.46Å; N629-K632 PolarHBondContact O-N 3.14Å; F630-K632 VanDerWaalsContact C-N 3.29Å; F630-K632 PolarHBondContact O-N 3.1Å; K632-V635 PolarHBondContact O-N 3.11Å; K632-K636 WeakPolarHBondContact O-CG 3.21Å; K632-K636 PolarHBondContact O-N 2.96Å; K632-L687 WeakPolarHBondContact CE-O 3.45Å; K632-L687 PolarHBondContact NZ-O 3.01Å; K632-L688 HydrophobicContact CG-CD2 4.17Å; K632-S690 PolarHBondContact NZ-O 3.39Å; K632-S690 PolarHBondContact NZ-OG 3.39Å
633	E	95.9	Very high	95.6	Very high	51 Å²	51	38.5 Å²	38.5	24%	0.238	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-44.1	172.7	-64.9	167.2	-128.7	0	0	111	R534 L538 N629 F630 L631 V635 K636 H637	R534-E633 WeakPolarHBondContact CD-OE2 3.37Å; R534-E633 IonicContact CZ-OE1 3.86Å; R534-E633 IonicContact CZ-OE2 2.82Å; R534-E633 IonicContact NE-OE1 2.7Å; R534-E633 PolarHBondContact NE-OE1 3.29Å; R534-E633 IonicContact NE-OE2 3.55Å; R534-E633 PolarHBondContact NE-OE2 2.84Å; R534-E633 IonicContact NH2-OE1 3.86Å; R534-E633 PolarHBondContact NH2-OE1 3.12Å; R534-E633 IonicContact NH2-OE2 3.59Å; L538-E633 HydrophobicContact CD2-CB 4.31Å; N629-E633 WeakPolarHBondContact O-CG 3.29Å; N629-E633 PolarHBondContact O-N 3.37Å; F630-E633 WeakPolarHBondContact O-CA 3.25Å; F630-E633 VanDerWaalsContact O-CB 3.32Å; F630-E633 WeakPolarHBondContact O-CB 3.43Å; F630-E633 PolarHBondContact O-N 3.23Å; L631-E633 VanDerWaalsContact C-N 3.32Å; E633-V635 VanDerWaalsContact C-N 3.32Å; E633-V635 PolarHBondContact O-N 3.36Å; E633-K636 WeakPolarHBondContact O-CB 3.21Å; E633-K636 PolarHBondContact O-N 2.99Å; E633-H637 PolarHBondContact O-CD2 3.03Å
634	V	97	Very high	95.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.5	-46	174.7	172.8	0	0	0	0	111.3	L538 L543 F544 F630 L631 K636 H637 N641 C643 L648	L538-V634 HydrophobicContact CD2-CG2 3.86Å; L543-V634 HydrophobicContact CD2-CG1 3.92Å; L543-V634 HydrophobicContact CD2-CG2 4.07Å; F544-V634 HydrophobicContact CE2-CG2 4.41Å; F630-V634 HydrophobicContact CD2-CG2 4.33Å; F630-V634 HydrophobicContact CE1-CG2 4.03Å; F630-V634 HydrophobicContact CE2-CG2 3.78Å; F630-V634 HydrophobicContact CZ-CG2 3.6Å; F630-V634 WeakPolarHBondContact O-CG2 3.45Å; F630-V634 PolarHBondContact O-N 3.25Å; L631-V634 WeakPolarHBondContact O-CB 3.4Å; L631-V634 PolarHBondContact O-N 3.08Å; V634-K636 VanDerWaalsContact C-N 3.26Å; V634-K636 PolarHBondContact O-N 3.38Å; V634-H637 CarbonylContact O-C 3.51Å; V634-H637 WeakPolarHBondContact O-CA 2.97Å; V634-H637 PolarHBondContact O-N 3.25Å; V634-N641 PolarHBondContact O-ND2 3Å; V634-C643 HydrophobicContact CG1-CB 3.65Å; V634-L648 HydrophobicContact CB-CD1 4.44Å; V634-L648 HydrophobicContact CG1-CD1 4.08Å
635	V	96	Very high	95.5	Very high	32 Å²	32	39.9 Å²	39.9	19%	0.194	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-32	177.4	174.5	0	0	0	0	112.3	L631 K632 E633 H637 E638 A645 L648	L631-V635 WeakPolarHBondContact O-CG2 3.39Å; L631-V635 PolarHBondContact O-N 3.41Å; K632-V635 PolarHBondContact O-N 3.11Å; E633-V635 VanDerWaalsContact C-N 3.32Å; E633-V635 PolarHBondContact O-N 3.36Å; V635-H637 PolarHBondContact O-N 2.89Å; V635-E638 VanDerWaalsContact O-CB 3.26Å; V635-E638 WeakPolarHBondContact O-CB 3.29Å; V635-E638 PolarHBondContact O-N 2.92Å; V635-E638 VanDerWaalsContact O-N 3.12Å; V635-A645 HydrophobicContact CG2-CB 4.36Å; V635-L648 HydrophobicContact CG2-CD1 3.64Å
636	K	95.5	Very high	95.5	Very high	133 Å²	133	42.6 Å²	42.6	58%	0.578	22%	0.222	S	C	*	.	H	α-helix	trans	-64.7	-20.9	175.3	-68.1	175.7	-177.3	-173.5	0	112.8	K632 E633 V634 Q692	K632-K636 WeakPolarHBondContact O-CG 3.21Å; K632-K636 PolarHBondContact O-N 2.96Å; E633-K636 WeakPolarHBondContact O-CB 3.21Å; E633-K636 PolarHBondContact O-N 2.99Å; V634-K636 VanDerWaalsContact C-N 3.26Å; V634-K636 PolarHBondContact O-N 3.38Å; K636-Q692 VanDerWaalsContact NZ-CD 3.27Å
637	H	96.6	Very high	95.4	Very high	61 Å²	61	43.7 Å²	43.7	28%	0.282	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	16.9	177.6	-70.7	-112.2	0	0	0	112.9	L538 D539 E633 V634 V635 A639 N640 N641	L538-H637 HydrophobicContact CB-CB 4.45Å; L538-H637 WeakPolarHBondContact O-CB 3.46Å; D539-H637 IonicContact OD1-CE1 2.67Å; D539-H637 IonicContact OD1-CG 3.9Å; D539-H637 IonicContact OD1-ND1 2.92Å; D539-H637 PolarHBondContact OD1-ND1 3.22Å; D539-H637 IonicContact OD2-ND1 3.1Å; E633-H637 PolarHBondContact O-CD2 3.03Å; V634-H637 CarbonylContact O-C 3.51Å; V634-H637 WeakPolarHBondContact O-CA 2.97Å; V634-H637 PolarHBondContact O-N 3.25Å; V635-H637 PolarHBondContact O-N 2.89Å; H637-A639 PolarHBondContact O-N 3.18Å; H637-N640 PolarHBondContact O-N 3.39Å; H637-N641 WeakPolarHBondContact CB-ND2 3.46Å; H637-N641 VanDerWaalsContact O-CG 3.24Å; H637-N641 PolarHBondContact O-N 3.21Å; H637-N641 PolarHBondContact O-ND2 3.15Å; H637-N641 PolarHBondContact O-OD1 3.43Å
638	E	94.4	Very high	95.4	Very high	90 Å²	90	43.7 Å²	43.7	42%	0.421	23%	0.23	S	C	.	.	H	α-helix	trans	-48.9	-36.2	-179.1	-179.1	-174.1	144.7	0	0	113.3	V635 N640 N641 Q642 T644	V635-E638 VanDerWaalsContact O-CB 3.26Å; V635-E638 WeakPolarHBondContact O-CB 3.29Å; V635-E638 PolarHBondContact O-N 2.92Å; V635-E638 VanDerWaalsContact O-N 3.12Å; E638-N640 PolarHBondContact O-N 2.98Å; E638-N640 VanDerWaalsContact O-N 3.16Å; E638-N641 VanDerWaalsContact CA-OD1 3.29Å; E638-N641 WeakPolarHBondContact CA-OD1 3.4Å; E638-Q642 VanDerWaalsContact O-CA 3.24Å; E638-Q642 WeakPolarHBondContact O-CA 3.41Å; E638-Q642 PolarHBondContact O-N 2.67Å; E638-T644 HydrophobicContact CG-CG2 4.14Å; E638-T644 WeakPolarHBondContact OE1-CG2 3.43Å
639	A	94.6	Very high	95.3	Very high	99 Å²	99	43.4 Å²	43.4	82%	0.818	23%	0.229	S	C	*	.	H	α-helix	trans	-59.2	-27.6	179.3	0	0	0	0	0	113.7	H637	H637-A639 PolarHBondContact O-N 3.18Å
640	N	96	Very high	95.3	Very high	89 Å²	89	44.8 Å²	44.8	48%	0.476	24%	0.239	S	C	.	.	H	α-helix	trans	-104.8	-48.9	-179	-63	-28.8	0	0	0	111.5	D539 H637 E638	D539-N640 HydrophobicContact CB-CB 3.95Å; D539-N640 PolarHBondContact OD1-ND2 3.35Å; H637-N640 PolarHBondContact O-N 3.39Å; E638-N640 PolarHBondContact O-N 2.98Å; E638-N640 VanDerWaalsContact O-N 3.16Å
641	N	95.5	Very high	95.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-86.2	-12.8	-174.3	65.4	29.4	0	0	0	114.6	L538 Q540 S542 L543 V634 H637 E638 C643	L538-N641 WeakPolarHBondContact O-CB 3.04Å; L538-N641 PolarHBondContact O-ND2 2.99Å; Q540-N641 VanDerWaalsContact O-CA 3.29Å; Q540-N641 WeakPolarHBondContact O-CA 3.45Å; Q540-N641 WeakPolarHBondContact O-CB 3.47Å; S542-N641 PolarHBondContact N-O 2.84Å; L543-N641 HydrophobicContact CB-CB 4.28Å; V634-N641 PolarHBondContact O-ND2 3Å; H637-N641 WeakPolarHBondContact CB-ND2 3.46Å; H637-N641 VanDerWaalsContact O-CG 3.24Å; H637-N641 PolarHBondContact O-N 3.21Å; H637-N641 PolarHBondContact O-ND2 3.15Å; H637-N641 PolarHBondContact O-OD1 3.43Å; E638-N641 VanDerWaalsContact CA-OD1 3.29Å; E638-N641 WeakPolarHBondContact CA-OD1 3.4Å; N641-C643 PolarHBondContact O-N 3.22Å; N641-C643 VanDerWaalsContact OD1-CB 3.29Å; N641-C643 WeakPolarHBondContact OD1-CB 3.11Å; N641-C643 PolarHBondContact OD1-N 2.96Å
642	Q	92.9	Very high	95.3	Very high	95 Å²	95	46.3 Å²	46.3	44%	0.444	25%	0.247	S	C	.	.			trans	64.3	15.2	-178.2	-53.1	168.6	7.5	0	0	114.5	E541 E638 T644 I647	E541-Q642 PolarHBondContact OE1-NE2 3.03Å; E638-Q642 VanDerWaalsContact O-CA 3.24Å; E638-Q642 WeakPolarHBondContact O-CA 3.41Å; E638-Q642 PolarHBondContact O-N 2.67Å; Q642-T644 PolarHBondContact O-N 2.6Å; Q642-I647 WeakPolarHBondContact O-CD1 3.4Å
643	C	93.3	Very high	95.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.			trans	-88.6	92.9	-179.8	-62.5	0	0	0	0	112.2	L543 V634 N641 L648	L543-C643 PolarHBondContact O-SG 3.04Å; V634-C643 HydrophobicContact CG1-CB 3.65Å; N641-C643 PolarHBondContact O-N 3.22Å; N641-C643 VanDerWaalsContact OD1-CB 3.29Å; N641-C643 WeakPolarHBondContact OD1-CB 3.11Å; N641-C643 PolarHBondContact OD1-N 2.96Å; C643-L648 HydrophobicContact CB-CD1 4.28Å; C643-L648 HydrophobicContact CB-CD2 4.14Å; C643-L648 HydrophobicContact CB-CG 4.16Å
644	T	95	Very high	95.1	Very high	29 Å²	29	46.1 Å²	46.1	18%	0.178	25%	0.251	C	S	.	.			trans	-72.6	160.2	169.5	66.4	0	0	0	0	111.6	E638 Q642 E646 I647 L648	E638-T644 HydrophobicContact CG-CG2 4.14Å; E638-T644 WeakPolarHBondContact OE1-CG2 3.43Å; Q642-T644 PolarHBondContact O-N 2.6Å; T644-E646 PolarHBondContact O-N 3.48Å; T644-I647 HydrophobicContact CG2-CD1 4.31Å; T644-I647 PolarHBondContact O-N 3.4Å; T644-I647 VanDerWaalsContact OG1-CG1 3.3Å; T644-I647 WeakPolarHBondContact OG1-CG1 3.48Å; T644-I647 PolarHBondContact OG1-N 3.38Å; T644-I647 VanDerWaalsContact OG1-N 3.07Å; T644-L648 WeakPolarHBondContact O-CG 3.21Å; T644-L648 PolarHBondContact O-N 2.95Å; T644-L648 VanDerWaalsContact O-N 3.07Å
645	A	94.8	Very high	95	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-57	-35.2	171.8	0	0	0	0	0	112.1	V635 G649 I685 L688 K689	V635-A645 HydrophobicContact CG2-CB 4.36Å; A645-G649 PolarHBondContact O-N 3.39Å; A645-I685 WeakPolarHBondContact O-CG1 3.28Å; A645-L688 HydrophobicContact CB-CB 3.96Å; A645-L688 HydrophobicContact CB-CD1 4.33Å; A645-K689 HydrophobicContact CB-CG 3.96Å
646	E	95.1	Very high	95	Very high	81 Å²	81	45.9 Å²	45.9	38%	0.379	25%	0.249	S	C	.	.	H	α-helix	trans	-63.4	-50.1	176	-71.6	76.2	-174.8	0	0	112.3	T644 G649 V650 I685 K689	T644-E646 PolarHBondContact O-N 3.48Å; E646-G649 PolarHBondContact O-N 3.46Å; E646-V650 WeakPolarHBondContact O-CG2 3.29Å; E646-V650 PolarHBondContact O-N 2.93Å; E646-I685 HydrophobicContact CG-CD1 4.41Å; E646-K689 WeakPolarHBondContact OE1-CE 3.44Å; E646-K689 IonicContact OE1-NZ 3.3Å; E646-K689 PolarHBondContact OE1-NZ 3.31Å
647	I	93.8	Very high	95	Very high	63 Å²	63	39.6 Å²	39.6	32%	0.323	22%	0.222	S	C	.	.	H	α-helix	trans	-60.8	-49.3	179.9	-71.6	167.3	0	0	0	109.6	Q642 T644 G649 V650 I651	Q642-I647 WeakPolarHBondContact O-CD1 3.4Å; T644-I647 HydrophobicContact CG2-CD1 4.31Å; T644-I647 PolarHBondContact O-N 3.4Å; T644-I647 VanDerWaalsContact OG1-CG1 3.3Å; T644-I647 WeakPolarHBondContact OG1-CG1 3.48Å; T644-I647 PolarHBondContact OG1-N 3.38Å; T644-I647 VanDerWaalsContact OG1-N 3.07Å; I647-G649 VanDerWaalsContact C-N 3.32Å; I647-G649 PolarHBondContact O-N 3.39Å; I647-V650 PolarHBondContact O-N 3.47Å; I647-I651 HydrophobicContact CG2-CD1 3.63Å; I647-I651 HydrophobicContact CG2-CG1 4.48Å; I647-I651 WeakPolarHBondContact O-CG1 3.22Å; I647-I651 PolarHBondContact O-N 3.5Å
648	L	96.4	Very high	94.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-40.3	178.1	-65.4	178.3	0	0	0	111.8	F544 L631 V634 V635 C643 T644 V650 I651 F652 L688	F544-L648 HydrophobicContact CB-CD2 4.39Å; F544-L648 HydrophobicContact CD2-CD2 3.67Å; F544-L648 HydrophobicContact CE2-CD2 4.4Å; F544-L648 HydrophobicContact CG-CD2 4.29Å; L631-L648 HydrophobicContact CB-CD1 4.43Å; L631-L648 HydrophobicContact CD2-CD1 4.37Å; V634-L648 HydrophobicContact CB-CD1 4.44Å; V634-L648 HydrophobicContact CG1-CD1 4.08Å; V635-L648 HydrophobicContact CG2-CD1 3.64Å; C643-L648 HydrophobicContact CB-CD1 4.28Å; C643-L648 HydrophobicContact CB-CD2 4.14Å; C643-L648 HydrophobicContact CB-CG 4.16Å; T644-L648 WeakPolarHBondContact O-CG 3.21Å; T644-L648 PolarHBondContact O-N 2.95Å; T644-L648 VanDerWaalsContact O-N 3.07Å; L648-V650 VanDerWaalsContact C-N 3.32Å; L648-V650 PolarHBondContact O-N 3.48Å; L648-I651 PolarHBondContact O-N 2.99Å; L648-F652 HydrophobicContact CB-CD2 4.49Å; L648-F652 HydrophobicContact CD2-CD2 4.42Å; L648-F652 HydrophobicContact CD2-CE2 4.05Å; L648-F652 WeakPolarHBondContact O-CB 3.44Å; L648-F652 WeakPolarHBondContact O-CD2 3.35Å; L648-F652 PolarHBondContact O-N 3.48Å; L648-L688 HydrophobicContact CB-CD1 4.03Å
649	G	94.9	Very high	94.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-43.1	175.9	0	0	0	0	0	112.8	A645 E646 I647 A653	A645-G649 PolarHBondContact O-N 3.39Å; E646-G649 PolarHBondContact O-N 3.46Å; I647-G649 VanDerWaalsContact C-N 3.32Å; I647-G649 PolarHBondContact O-N 3.39Å; G649-A653 WeakPolarHBondContact O-CB 3.41Å; G649-A653 PolarHBondContact O-N 2.8Å
650	V	94.6	Very high	93	Very high	91 Å²	91	38.8 Å²	38.8	55%	0.552	20%	0.197	S	C	*	.	H	α-helix	trans	-69.9	-40.8	178.6	172.3	0	0	0	0	111.9	E646 I647 L648 P654	E646-V650 WeakPolarHBondContact O-CG2 3.29Å; E646-V650 PolarHBondContact O-N 2.93Å; I647-V650 PolarHBondContact O-N 3.47Å; L648-V650 VanDerWaalsContact C-N 3.32Å; L648-V650 PolarHBondContact O-N 3.48Å; V650-P654 WeakPolarHBondContact O-CD 3.28Å
651	I	95.3	Very high	91.3	Very high	39 Å²	39	42.5 Å²	42.5	20%	0.2	21%	0.211	C	C	.	.	H	α-helix	trans	-69.1	-48	-179.9	-67.9	168.2	0	0	0	111.1	F544 L580 I647 L648 P654	F544-I651 HydrophobicContact CB-CD1 4.12Å; L580-I651 HydrophobicContact CD1-CG2 3.96Å; L580-I651 HydrophobicContact CD2-CG2 4.1Å; I647-I651 HydrophobicContact CG2-CD1 3.63Å; I647-I651 HydrophobicContact CG2-CG1 4.48Å; I647-I651 WeakPolarHBondContact O-CG1 3.22Å; I647-I651 PolarHBondContact O-N 3.5Å; L648-I651 PolarHBondContact O-N 2.99Å; I651-P654 WeakPolarHBondContact O-CD 3.47Å
652	F	97.1	Very high	89.2	Confident	1 Å²	1	47 Å²	47	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-82.1	-27.7	-173.2	-80.2	-98.1	0	0	0	113.4	F544 L580 L627 L631 L648 I655 L656 L684	F544-F652 AromaticContact CD1-CE2 3.94Å; F544-F652 HydrophobicContact CD1-CE2 3.94Å; F544-F652 AromaticContact CD1-CZ 3.87Å; F544-F652 HydrophobicContact CD1-CZ 3.87Å; F544-F652 HydrophobicContact CD2-CE2 4.21Å; F544-F652 HydrophobicContact CE1-CE2 4.18Å; F544-F652 AromaticContact CE1-CZ 3.69Å; F544-F652 HydrophobicContact CE1-CZ 3.69Å; F544-F652 HydrophobicContact CE2-CE2 4.43Å; F544-F652 HydrophobicContact CE2-CZ 4.39Å; F544-F652 AromaticContact CG-CE2 3.98Å; F544-F652 HydrophobicContact CG-CE2 3.98Å; F544-F652 HydrophobicContact CG-CZ 4.33Å; F544-F652 HydrophobicContact CZ-CE2 4.43Å; F544-F652 AromaticContact CZ-CZ 3.98Å; F544-F652 HydrophobicContact CZ-CZ 3.98Å; L580-F652 HydrophobicContact CD2-CD1 3.97Å; L580-F652 HydrophobicContact CD2-CD2 4.25Å; L580-F652 HydrophobicContact CD2-CE1 3.56Å; L580-F652 HydrophobicContact CD2-CE2 3.85Å; L580-F652 HydrophobicContact CD2-CG 4.31Å; L580-F652 HydrophobicContact CD2-CZ 3.49Å; L580-F652 VanDerWaalsContact CD2-CZ 3.49Å; L627-F652 HydrophobicContact CD1-CE1 4.3Å; L627-F652 HydrophobicContact CD2-CD1 4.37Å; L627-F652 HydrophobicContact CD2-CE1 4.32Å; L631-F652 HydrophobicContact CD1-CD1 4.22Å; L631-F652 HydrophobicContact CD1-CD2 4.35Å; L631-F652 HydrophobicContact CD1-CE1 4.24Å; L631-F652 HydrophobicContact CD1-CE2 4.38Å; L631-F652 HydrophobicContact CD1-CG 4.26Å; L631-F652 HydrophobicContact CD1-CZ 4.32Å; L631-F652 HydrophobicContact CD2-CD2 4.47Å; L631-F652 HydrophobicContact CD2-CE1 4.27Å; L631-F652 HydrophobicContact CD2-CE2 3.77Å; L631-F652 HydrophobicContact CD2-CZ 3.65Å; L648-F652 HydrophobicContact CB-CD2 4.49Å; L648-F652 HydrophobicContact CD2-CD2 4.42Å; L648-F652 HydrophobicContact CD2-CE2 4.05Å; L648-F652 WeakPolarHBondContact O-CB 3.44Å; L648-F652 WeakPolarHBondContact O-CD2 3.35Å; L648-F652 PolarHBondContact O-N 3.48Å; F652-I655 PolarHBondContact O-N 3.46Å; F652-I655 VanDerWaalsContact O-N 3.16Å; F652-L656 HydrophobicContact CB-CD1 3.96Å; F652-L656 HydrophobicContact CB-CG 4.14Å; F652-L656 HydrophobicContact CD1-CD1 3.98Å; F652-L656 HydrophobicContact CD1-CD2 4.33Å; F652-L656 HydrophobicContact CD1-CG 4.14Å; F652-L656 HydrophobicContact CG-CD1 4.44Å; F652-L656 WeakPolarHBondContact O-CB 3.26Å; F652-L656 WeakPolarHBondContact O-CG 3.1Å; F652-L656 PolarHBondContact O-N 2.88Å; F652-L684 HydrophobicContact CB-CD1 3.99Å
653	A	95	Very high	87.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-53.1	-52.4	-178.3	0	0	0	0	0	115.1	G649 I655 C657 A680 S681 L684	G649-A653 WeakPolarHBondContact O-CB 3.41Å; G649-A653 PolarHBondContact O-N 2.8Å; A653-I655 PolarHBondContact O-N 2.97Å; A653-C657 WeakPolarHBondContact O-CA 3.33Å; A653-C657 VanDerWaalsContact O-CB 3.31Å; A653-C657 WeakPolarHBondContact O-CB 3.38Å; A653-C657 PolarHBondContact O-N 3.37Å; A653-A680 HydrophobicContact CB-CB 4Å; A653-S681 WeakPolarHBondContact CB-OG 3.37Å; A653-L684 HydrophobicContact CB-CD1 4Å
654	P	92.9	Very high	85.2	Confident	60 Å²	60	55.9 Å²	55.9	39%	0.39	28%	0.284	S	S	.	.	H	α-helix	trans	-64.2	-25.8	-179.1	23.9	-33.3	0	0	0	113.2	V650 I651 R658 L677	V650-P654 WeakPolarHBondContact O-CD 3.28Å; I651-P654 WeakPolarHBondContact O-CD 3.47Å; P654-R658 WeakPolarHBondContact O-CG 3.44Å; P654-L677 HydrophobicContact CB-CD2 3.84Å
655	I	95.3	Very high	83.2	Confident	25 Å²	25	64.3 Å²	64.3	13%	0.128	32%	0.321	C	S	.	.	H	α-helix	trans	-83.6	-50.1	-178.1	-65.5	166.9	0	0	0	110.7	L580 F583 D584 F652 A653	L580-I655 HydrophobicContact CB-CD1 3.9Å; L580-I655 HydrophobicContact CD1-CD1 4.5Å; L580-I655 HydrophobicContact CD2-CD1 3.78Å; L580-I655 HydrophobicContact CG-CD1 4.26Å; F583-I655 HydrophobicContact CB-CG2 3.62Å; D584-I655 HydrophobicContact CB-CG1 4.42Å; D584-I655 HydrophobicContact CB-CG2 3.91Å; F652-I655 PolarHBondContact O-N 3.46Å; F652-I655 VanDerWaalsContact O-N 3.16Å; A653-I655 PolarHBondContact O-N 2.97Å
656	L	96.4	Very high	81.7	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-78.4	-27.3	-176	-57.4	-172.6	0	0	0	112.6	F583 L590 I591 F624 L627 F652 L684	F583-L656 HydrophobicContact CB-CD2 3.85Å; F583-L656 HydrophobicContact CD1-CD2 4.22Å; F583-L656 HydrophobicContact CD2-CD2 4.12Å; F583-L656 HydrophobicContact CG-CD2 3.81Å; L590-L656 HydrophobicContact CB-CD2 3.95Å; L590-L656 HydrophobicContact CD2-CD1 4.39Å; L590-L656 HydrophobicContact CD2-CD2 3.8Å; I591-L656 VanDerWaalsContact CB-O 3.29Å; I591-L656 WeakPolarHBondContact CB-O 3.45Å; I591-L656 HydrophobicContact CD1-CB 4.26Å; I591-L656 HydrophobicContact CG1-CB 4.48Å; I591-L656 PolarHBondContact N-O 2.81Å; F624-L656 HydrophobicContact CE2-CD1 4.47Å; L627-L656 HydrophobicContact CD2-CD1 3.86Å; L627-L656 HydrophobicContact CD2-CD2 4.04Å; F652-L656 HydrophobicContact CB-CD1 3.96Å; F652-L656 HydrophobicContact CB-CG 4.14Å; F652-L656 HydrophobicContact CD1-CD1 3.98Å; F652-L656 HydrophobicContact CD1-CD2 4.33Å; F652-L656 HydrophobicContact CD1-CG 4.14Å; F652-L656 HydrophobicContact CG-CD1 4.44Å; F652-L656 WeakPolarHBondContact O-CB 3.26Å; F652-L656 WeakPolarHBondContact O-CG 3.1Å; F652-L656 PolarHBondContact O-N 2.88Å; L656-L684 HydrophobicContact CD1-CD1 4.28Å; L656-L684 HydrophobicContact CD1-CD2 4.3Å
657	C	94.6	Very high	80.2	Confident	2 Å²	2	66 Å²	66	1%	0.014	35%	0.349	C	S	.	.	S	Bend	trans	-125.5	72.9	-177.1	-167.7	0	0	0	0	109.8	I591 R596 A653 F659 A680	I591-C657 HydrophobicContact CB-CB 4.45Å; I591-C657 HydrophobicContact CD1-CB 3.88Å; R596-C657 VanDerWaalsContact CG-SG 3.6Å; A653-C657 WeakPolarHBondContact O-CA 3.33Å; A653-C657 VanDerWaalsContact O-CB 3.31Å; A653-C657 WeakPolarHBondContact O-CB 3.38Å; A653-C657 PolarHBondContact O-N 3.37Å; C657-F659 WeakPolarHBondContact O-CD2 3.25Å; C657-F659 WeakPolarHBondContact O-CE2 3.26Å; C657-A680 HydrophobicContact CB-CB 3.95Å
658	R	91	Very high	78.7	Confident	24 Å²	24	67.3 Å²	67.3	9%	0.091	36%	0.364	C	S	.	.			trans	-68.7	162.1	-179.1	-66.2	-168.2	-56.1	-111	-6.8	111.6	F583 D584 L586 P587 P589 W593 P654	F583-R658 PolarHBondContact O-NH1 3Å; D584-R658 PolarHBondContact O-NH1 2.84Å; L586-R658 PolarHBondContact O-NH1 3.48Å; L586-R658 PolarHBondContact O-NH2 2.89Å; P587-R658 PolarHBondContact O-NH2 3.39Å; P589-R658 HydrophobicContact CB-CB 4.3Å; P589-R658 HydrophobicContact CB-CG 4.28Å; P589-R658 VanDerWaalsContact CD-NH2 3.33Å; P589-R658 HydrophobicContact CG-CB 4.38Å; W593-R658 HydrophobicContact CH2-CB 3.68Å; W593-R658 WeakPolarHBondContact CH2-O 3.49Å; W593-R658 HydrophobicContact CZ2-CB 4.23Å; W593-R658 HydrophobicContact CZ3-CB 4.48Å; W593-R658 WeakPolarHBondContact CZ3-O 3.28Å; P654-R658 WeakPolarHBondContact O-CG 3.44Å
659	F	84.6	Confident	77.3	Confident	30 Å²	30	73.6 Å²	73.6	13%	0.132	39%	0.388	C	S	.	.			trans	-129.4	137.3	172.8	-61	-79.8	0	0	0	108.8	R596 L600 C657 E661 L673 K676 L677	R596-F659 HydrophobicContact CG-CE1 4.47Å; L600-F659 HydrophobicContact CD1-CE1 3.91Å; L600-F659 HydrophobicContact CD1-CZ 4.18Å; L600-F659 HydrophobicContact CD2-CZ 4.4Å; C657-F659 WeakPolarHBondContact O-CD2 3.25Å; C657-F659 WeakPolarHBondContact O-CE2 3.26Å; F659-E661 PolarHBondContact O-N 2.95Å; F659-L673 HydrophobicContact CB-CD1 3.7Å; F659-L673 HydrophobicContact CD2-CD1 3.79Å; F659-L673 HydrophobicContact CG-CD1 3.85Å; F659-K676 HydrophobicContact CD1-CB 4.26Å; F659-K676 HydrophobicContact CD1-CD 3.82Å; F659-K676 HydrophobicContact CE1-CB 3.65Å; F659-K676 HydrophobicContact CE1-CD 3.76Å; F659-K676 HydrophobicContact CE1-CG 4.14Å; F659-K676 HydrophobicContact CE2-CB 4.1Å; F659-K676 HydrophobicContact CZ-CB 3.57Å; F659-L677 HydrophobicContact CD2-CD2 4.14Å; F659-L677 HydrophobicContact CD2-CG 4.37Å; F659-L677 HydrophobicContact CE2-CD2 3.84Å; F659-L677 HydrophobicContact CE2-CG 4.12Å
660	K	69.5	Low	76.3	Confident	179 Å²	179	79.8 Å²	79.8	78%	0.778	42%	0.417	S	S	*	.			trans	-65.7	109.8	173.2	-76.5	-171.5	-178.9	-175.1	0	108.8	T662	K660-T662 PolarHBondContact O-N 3.24Å
661	E	59.5	Low	75.5	Confident	166 Å²	166	80.1 Å²	80.1	78%	0.776	42%	0.415	S	S	*	.			trans	-68	119.4	169.5	-68.5	-172.3	169	0	0	108.7	F659	F659-E661 PolarHBondContact O-N 2.95Å
662	T	50.4	Low	74.8	Confident	94 Å²	94	80.1 Å²	80.1	58%	0.577	42%	0.421	S	S	*	.			trans	-88.3	122	164.7	40.8	0	0	0	0	106.6	K660 S664	K660-T662 PolarHBondContact O-N 3.24Å; T662-S664 PolarHBondContact O-N 3.09Å
663	K	51	Low	74.2	Confident	218 Å²	218	82.7 Å²	82.7	95%	0.948	43%	0.434	S	S	*	.	S	Bend	trans	-62.6	27.8	-175.4	-66.6	-174	175.6	-177.4	0	115.4
664	S	52.5	Low	73.7	Confident	65 Å²	65	87.6 Å²	87.6	46%	0.455	46%	0.457	S	S	.	.			trans	-109.6	117.9	-178.2	148.8	0	0	0	0	110.7	T662 A666	T662-S664 PolarHBondContact O-N 3.09Å; S664-A666 VanDerWaalsContact C-N 3.29Å; S664-A666 PolarHBondContact O-N 2.78Å
665	Q	53.1	Low	73.5	Confident	205 Å²	205	89.9 Å²	89.9	96%	0.958	46%	0.463	S	S	*	.			trans	-73.1	60.9	-175.1	-66.4	177.3	-17.3	0	0	114
666	A	61.8	Low	73.3	Confident	37 Å²	37	93.1 Å²	93.1	31%	0.306	48%	0.476	S	S	.	.			trans	-101.9	120	170.8	0	0	0	0	0	110.9	S664 S668 R669	S664-A666 VanDerWaalsContact C-N 3.29Å; S664-A666 PolarHBondContact O-N 2.78Å; A666-S668 PolarHBondContact O-N 3.18Å; A666-S668 VanDerWaalsContact O-N 3.09Å; A666-R669 PolarHBondContact O-N 3.08Å
667	A	64.7	Low	73	Confident	83 Å²	83	95.3 Å²	95.3	69%	0.686	49%	0.487	S	S	*	.	H	α-helix	trans	-52.9	-32.3	179.9	0	0	0	0	0	113.7	R669 Q670 L671	A667-R669 VanDerWaalsContact C-N 3.29Å; A667-R669 PolarHBondContact O-N 3.02Å; A667-Q670 PolarHBondContact O-N 3.07Å; A667-L671 PolarHBondContact O-N 3.2Å
668	S	62.3	Low	72.9	Confident	91 Å²	91	100.6 Å²	100.6	64%	0.636	51%	0.512	S	S	*	.	H	α-helix	trans	-63.5	-29.7	176.1	57.5	0	0	0	0	113.7	A666 A672	A666-S668 PolarHBondContact O-N 3.18Å; A666-S668 VanDerWaalsContact O-N 3.09Å; S668-A672 PolarHBondContact O-N 3.16Å
669	R	67	Low	73.1	Confident	133 Å²	133	100.6 Å²	100.6	50%	0.502	52%	0.515	S	S	.	.	H	α-helix	trans	-79.8	-28.3	177.1	-70.8	-176.3	179.2	167	2.7	112.6	A666 A667 A672 L673	A666-R669 PolarHBondContact O-N 3.08Å; A667-R669 VanDerWaalsContact C-N 3.29Å; A667-R669 PolarHBondContact O-N 3.02Å; R669-A672 PolarHBondContact O-N 3.43Å; R669-L673 PolarHBondContact O-N 2.67Å
670	Q	72.7	Confident	73.6	Confident	130 Å²	130	99.2 Å²	99.2	61%	0.607	51%	0.509	S	S	*	.	H	α-helix	trans	-65.4	-41.8	175	-167.4	173.9	6.2	0	0	111.2	A667 L673 Q674	A667-Q670 PolarHBondContact O-N 3.07Å; Q670-L673 PolarHBondContact O-N 3.23Å; Q670-Q674 WeakPolarHBondContact O-CG 3.45Å; Q670-Q674 PolarHBondContact O-N 3.45Å
671	L	78.4	Confident	74.9	Confident	99 Å²	99	91.4 Å²	91.4	52%	0.518	48%	0.478	S	S	.	.	H	α-helix	trans	-63.3	-42.6	174.2	-173.3	67.9	0	0	0	111.9	A667 L673 Q674 Q675	A667-L671 PolarHBondContact O-N 3.2Å; L671-L673 VanDerWaalsContact C-N 3.34Å; L671-L673 PolarHBondContact O-N 3.33Å; L671-Q674 PolarHBondContact O-N 3.08Å; L671-Q675 WeakPolarHBondContact O-CG 3.42Å; L671-Q675 PolarHBondContact O-N 3.03Å
672	A	81.9	Confident	76.6	Confident	39 Å²	39	87.3 Å²	87.3	32%	0.322	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-38.3	176.8	0	0	0	0	0	112.4	S668 R669 K676	S668-A672 PolarHBondContact O-N 3.16Å; R669-A672 PolarHBondContact O-N 3.43Å; A672-K676 VanDerWaalsContact O-CG 3.32Å; A672-K676 WeakPolarHBondContact O-CG 3.5Å; A672-K676 PolarHBondContact O-N 3.01Å; A672-K676 VanDerWaalsContact O-N 3.1Å
673	L	83.6	Confident	78.8	Confident	55 Å²	55	83 Å²	83	29%	0.288	43%	0.428	S	S	.	.	H	α-helix	trans	-64.8	-44.4	174.5	-179.2	61.5	0	0	0	111.4	F659 R669 Q670 L671 Q675 K676 L677	F659-L673 HydrophobicContact CB-CD1 3.7Å; F659-L673 HydrophobicContact CD2-CD1 3.79Å; F659-L673 HydrophobicContact CG-CD1 3.85Å; R669-L673 PolarHBondContact O-N 2.67Å; Q670-L673 PolarHBondContact O-N 3.23Å; L671-L673 VanDerWaalsContact C-N 3.34Å; L671-L673 PolarHBondContact O-N 3.33Å; L673-Q675 PolarHBondContact O-N 3.3Å; L673-K676 PolarHBondContact O-N 3.26Å; L673-L677 HydrophobicContact CG-CD1 4.23Å; L673-L677 PolarHBondContact O-N 3.48Å
674	Q	85.4	Confident	80.9	Confident	102 Å²	102	73 Å²	73	48%	0.477	39%	0.385	S	S	.	.	H	α-helix	trans	-59.5	-44.6	175.7	-76.8	179.5	-19.7	0	0	112.2	Q670 L671 K676 L677 Q678	Q670-Q674 WeakPolarHBondContact O-CG 3.45Å; Q670-Q674 PolarHBondContact O-N 3.45Å; L671-Q674 PolarHBondContact O-N 3.08Å; Q674-K676 VanDerWaalsContact C-N 3.32Å; Q674-K676 PolarHBondContact O-N 3.42Å; Q674-L677 PolarHBondContact O-N 3.13Å; Q674-Q678 WeakPolarHBondContact O-CG 3.48Å; Q674-Q678 PolarHBondContact O-N 3.27Å
675	Q	88.6	Confident	82.9	Confident	108 Å²	108	71.3 Å²	71.3	51%	0.505	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-41.3	176.5	-73.9	176.1	-8.1	0	0	112.2	L671 L673 Q678 S679	L671-Q675 WeakPolarHBondContact O-CG 3.42Å; L671-Q675 PolarHBondContact O-N 3.03Å; L673-Q675 PolarHBondContact O-N 3.3Å; Q675-Q678 PolarHBondContact O-N 2.86Å; Q675-S679 PolarHBondContact O-N 3.13Å; Q675-S679 PolarHBondContact O-OG 3.18Å
676	K	90.6	Very high	84.9	Confident	94 Å²	94	63 Å²	63	41%	0.409	34%	0.335	S	S	.	.	H	α-helix	trans	-64.5	-43.2	176.4	-73.3	178.4	-179.1	-173.2	0	112.1	L600 F659 A672 L673 Q674 Q678 S679 A680	L600-K676 HydrophobicContact CD1-CG 4.46Å; F659-K676 HydrophobicContact CD1-CB 4.26Å; F659-K676 HydrophobicContact CD1-CD 3.82Å; F659-K676 HydrophobicContact CE1-CB 3.65Å; F659-K676 HydrophobicContact CE1-CD 3.76Å; F659-K676 HydrophobicContact CE1-CG 4.14Å; F659-K676 HydrophobicContact CE2-CB 4.1Å; F659-K676 HydrophobicContact CZ-CB 3.57Å; A672-K676 VanDerWaalsContact O-CG 3.32Å; A672-K676 WeakPolarHBondContact O-CG 3.5Å; A672-K676 PolarHBondContact O-N 3.01Å; A672-K676 VanDerWaalsContact O-N 3.1Å; L673-K676 PolarHBondContact O-N 3.26Å; Q674-K676 VanDerWaalsContact C-N 3.32Å; Q674-K676 PolarHBondContact O-N 3.42Å; K676-Q678 VanDerWaalsContact C-N 3.34Å; K676-Q678 PolarHBondContact O-N 3.23Å; K676-S679 PolarHBondContact O-N 3.31Å; K676-A680 PolarHBondContact O-N 2.84Å
677	L	90.2	Very high	86.4	Confident	48 Å²	48	61.2 Å²	61.2	25%	0.251	32%	0.321	S	S	.	.	H	α-helix	trans	-63.1	-38.6	175.4	-75.8	168.6	0	0	0	112.2	P654 F659 L673 Q674 A680 S681	P654-L677 HydrophobicContact CB-CD2 3.84Å; F659-L677 HydrophobicContact CD2-CD2 4.14Å; F659-L677 HydrophobicContact CD2-CG 4.37Å; F659-L677 HydrophobicContact CE2-CD2 3.84Å; F659-L677 HydrophobicContact CE2-CG 4.12Å; L673-L677 HydrophobicContact CG-CD1 4.23Å; L673-L677 PolarHBondContact O-N 3.48Å; Q674-L677 PolarHBondContact O-N 3.13Å; L677-A680 PolarHBondContact O-N 3.22Å; L677-S681 WeakPolarHBondContact O-CB 3.37Å; L677-S681 PolarHBondContact O-N 2.84Å; L677-S681 PolarHBondContact O-OG 3.1Å
678	Q	92.8	Very high	87.8	Confident	112 Å²	112	57.9 Å²	57.9	52%	0.523	29%	0.291	S	S	.	.	H	α-helix	trans	-63.3	-42.7	173.5	-74.4	176.2	-5.6	0	0	112.1	Q674 Q675 K676 S681 R682	Q674-Q678 WeakPolarHBondContact O-CG 3.48Å; Q674-Q678 PolarHBondContact O-N 3.27Å; Q675-Q678 PolarHBondContact O-N 2.86Å; K676-Q678 VanDerWaalsContact C-N 3.34Å; K676-Q678 PolarHBondContact O-N 3.23Å; Q678-S681 PolarHBondContact O-N 3.06Å; Q678-R682 WeakPolarHBondContact O-CB 3.41Å; Q678-R682 WeakPolarHBondContact O-CG 3.44Å; Q678-R682 PolarHBondContact O-N 3.04Å
679	S	94.4	Very high	89.2	Confident	24 Å²	24	59.6 Å²	59.6	17%	0.168	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-38.7	175.6	-66	0	0	0	0	112	S603 Q675 K676 R682 F683	S603-S679 VanDerWaalsContact CB-O 3.25Å; S603-S679 WeakPolarHBondContact CB-O 3.4Å; Q675-S679 PolarHBondContact O-N 3.13Å; Q675-S679 PolarHBondContact O-OG 3.18Å; K676-S679 PolarHBondContact O-N 3.31Å; S679-R682 PolarHBondContact O-N 2.93Å; S679-R682 PolarHBondContact OG-NH2 3.47Å; S679-F683 WeakPolarHBondContact O-CB 3.29Å; S679-F683 PolarHBondContact O-N 3.45Å
680	A	95.2	Very high	90	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-42.1	173.8	0	0	0	0	0	111.9	L600 A653 C657 K676 L677 F683 L684	L600-A680 HydrophobicContact CD2-CB 3.84Å; A653-A680 HydrophobicContact CB-CB 4Å; C657-A680 HydrophobicContact CB-CB 3.95Å; K676-A680 PolarHBondContact O-N 2.84Å; L677-A680 PolarHBondContact O-N 3.22Å; A680-F683 WeakPolarHBondContact O-CB 3.44Å; A680-F683 PolarHBondContact O-N 2.86Å; A680-L684 PolarHBondContact O-N 3.12Å; A680-L684 VanDerWaalsContact O-N 3.09Å
681	S	95.9	Very high	89.8	Confident	16 Å²	16	54.8 Å²	54.8	11%	0.112	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-47.6	175	-55	0	0	0	0	110.6	A653 L677 Q678 F683 L684 I685	A653-S681 WeakPolarHBondContact CB-OG 3.37Å; L677-S681 WeakPolarHBondContact O-CB 3.37Å; L677-S681 PolarHBondContact O-N 2.84Å; L677-S681 PolarHBondContact O-OG 3.1Å; Q678-S681 PolarHBondContact O-N 3.06Å; S681-F683 VanDerWaalsContact C-N 3.32Å; S681-F683 PolarHBondContact O-N 3.09Å; S681-L684 PolarHBondContact O-N 3.02Å; S681-I685 WeakPolarHBondContact O-CB 3.42Å; S681-I685 WeakPolarHBondContact O-CD1 3.42Å; S681-I685 WeakPolarHBondContact O-CG1 3.37Å; S681-I685 PolarHBondContact O-N 2.78Å
682	R	95.6	Very high	88.6	Confident	80 Å²	80	55.9 Å²	55.9	30%	0.302	28%	0.279	S	S	.	.	H	α-helix	trans	-59.5	-39.7	176	-80.1	-175.5	-88	113.7	-4.1	112.9	S603 H604 Q678 S679 I685 S686	S603-R682 PolarHBondContact OG-NH1 3.22Å; H604-R682 PolarHBondContact CE1-NH1 3.08Å; H604-R682 PolarHBondContact NE2-NH1 2.84Å; Q678-R682 WeakPolarHBondContact O-CB 3.41Å; Q678-R682 WeakPolarHBondContact O-CG 3.44Å; Q678-R682 PolarHBondContact O-N 3.04Å; S679-R682 PolarHBondContact O-N 2.93Å; S679-R682 PolarHBondContact OG-NH2 3.47Å; R682-I685 PolarHBondContact O-N 3.07Å; R682-S686 WeakPolarHBondContact O-CB 3.39Å; R682-S686 PolarHBondContact O-N 3.3Å; R682-S686 PolarHBondContact O-OG 3.5Å
683	F	96.1	Very high	86.9	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.009	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-49.6	175.1	174.7	-98.8	0	0	0	111.6	I591 C599 C609 A612 V613 F624 S679 A680 S681 S686 L687	I591-F683 HydrophobicContact CD1-CD1 4.26Å; I591-F683 HydrophobicContact CD1-CE1 4.07Å; C599-F683 HydrophobicContact CB-CD1 4.22Å; C599-F683 HydrophobicContact CB-CD2 3.91Å; C599-F683 HydrophobicContact CB-CE1 3.96Å; C599-F683 HydrophobicContact CB-CE2 3.63Å; C599-F683 HydrophobicContact CB-CG 4.19Å; C599-F683 HydrophobicContact CB-CZ 3.64Å; C599-F683 WeakPolarHBondContact O-CD2 3.23Å; C599-F683 VanDerWaalsContact SG-CZ 3.54Å; C609-F683 HydrophobicContact CB-CD2 3.96Å; C609-F683 HydrophobicContact CB-CE2 3.75Å; C609-F683 WeakPolarHBondContact SG-CD2 3.39Å; A612-F683 HydrophobicContact CB-CE2 4.29Å; V613-F683 HydrophobicContact CG2-CZ 3.9Å; F624-F683 HydrophobicContact CZ-CE1 4.31Å; S679-F683 WeakPolarHBondContact O-CB 3.29Å; S679-F683 PolarHBondContact O-N 3.45Å; A680-F683 WeakPolarHBondContact O-CB 3.44Å; A680-F683 PolarHBondContact O-N 2.86Å; S681-F683 VanDerWaalsContact C-N 3.32Å; S681-F683 PolarHBondContact O-N 3.09Å; F683-S686 PolarHBondContact O-N 3.31Å; F683-L687 HydrophobicContact CD1-CD1 4.04Å; F683-L687 HydrophobicContact CE1-CD1 3.54Å; F683-L687 HydrophobicContact CE2-CD1 4.24Å; F683-L687 HydrophobicContact CZ-CD1 3.67Å; F683-L687 WeakPolarHBondContact O-CG 3.33Å; F683-L687 PolarHBondContact O-N 2.98Å
684	L	95.8	Very high	84.7	Confident	9 Å²	9	60 Å²	60	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-64.7	-44.5	177.8	-69.7	179.1	0	0	0	112.2	I591 F624 F652 A653 L656 A680 S681 S686 L687 L688	I591-L684 HydrophobicContact CD1-CD2 4.31Å; F624-L684 HydrophobicContact CE2-CD2 3.96Å; F624-L684 HydrophobicContact CZ-CD2 3.87Å; F652-L684 HydrophobicContact CB-CD1 3.99Å; A653-L684 HydrophobicContact CB-CD1 4Å; L656-L684 HydrophobicContact CD1-CD1 4.28Å; L656-L684 HydrophobicContact CD1-CD2 4.3Å; A680-L684 PolarHBondContact O-N 3.12Å; A680-L684 VanDerWaalsContact O-N 3.09Å; S681-L684 PolarHBondContact O-N 3.02Å; L684-S686 VanDerWaalsContact C-N 3.33Å; L684-S686 PolarHBondContact O-N 3.16Å; L684-L687 PolarHBondContact O-N 3.06Å; L684-L687 VanDerWaalsContact O-N 3.15Å; L684-L688 WeakPolarHBondContact O-CG 3.37Å; L684-L688 PolarHBondContact O-N 3.04Å
685	I	95.1	Very high	82.5	Confident	29 Å²	29	59.1 Å²	59.1	15%	0.149	32%	0.315	C	S	.	.	H	α-helix	trans	-58.9	-45.4	178.2	-66.1	162.7	0	0	0	110.8	A645 E646 S681 R682 L687 L688 K689	A645-I685 WeakPolarHBondContact O-CG1 3.28Å; E646-I685 HydrophobicContact CG-CD1 4.41Å; S681-I685 WeakPolarHBondContact O-CB 3.42Å; S681-I685 WeakPolarHBondContact O-CD1 3.42Å; S681-I685 WeakPolarHBondContact O-CG1 3.37Å; S681-I685 PolarHBondContact O-N 2.78Å; R682-I685 PolarHBondContact O-N 3.07Å; I685-L687 VanDerWaalsContact C-N 3.27Å; I685-L687 PolarHBondContact O-N 3.2Å; I685-L688 PolarHBondContact O-N 3.05Å; I685-K689 HydrophobicContact CG2-CD 4.04Å; I685-K689 HydrophobicContact CG2-CG 4.4Å; I685-K689 WeakPolarHBondContact O-CG 3.2Å; I685-K689 PolarHBondContact O-N 3.39Å
686	S	93.8	Very high	82.2	Confident	30 Å²	30	56.7 Å²	56.7	21%	0.21	31%	0.306	C	S	.	.	H	α-helix	trans	-60.1	-37.3	177.8	-70.7	0	0	0	0	112.4	S603 R682 F683 L684 S690	S603-S686 PolarHBondContact O-OG 3.38Å; R682-S686 WeakPolarHBondContact O-CB 3.39Å; R682-S686 PolarHBondContact O-N 3.3Å; R682-S686 PolarHBondContact O-OG 3.5Å; F683-S686 PolarHBondContact O-N 3.31Å; L684-S686 VanDerWaalsContact C-N 3.33Å; L684-S686 PolarHBondContact O-N 3.16Å; S686-S690 PolarHBondContact O-N 2.68Å
687	L	94.6	Very high	81.7	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-71.8	-43	176	-71.3	171.1	0	0	0	111.8	C609 R610 V613 F624 L628 K632 F683 L684 I685 K689 S690	C609-L687 HydrophobicContact CB-CD2 3.65Å; C609-L687 HydrophobicContact CB-CG 3.91Å; R610-L687 HydrophobicContact CG-CD2 4.06Å; V613-L687 HydrophobicContact CG2-CD1 3.74Å; V613-L687 HydrophobicContact CG2-CD2 4.19Å; F624-L687 HydrophobicContact CE1-CD1 3.9Å; F624-L687 HydrophobicContact CZ-CD1 3.82Å; L628-L687 HydrophobicContact CD1-CB 3.93Å; L628-L687 HydrophobicContact CD2-CB 4.11Å; K632-L687 WeakPolarHBondContact CE-O 3.45Å; K632-L687 PolarHBondContact NZ-O 3.01Å; F683-L687 HydrophobicContact CD1-CD1 4.04Å; F683-L687 HydrophobicContact CE1-CD1 3.54Å; F683-L687 HydrophobicContact CE2-CD1 4.24Å; F683-L687 HydrophobicContact CZ-CD1 3.67Å; F683-L687 WeakPolarHBondContact O-CG 3.33Å; F683-L687 PolarHBondContact O-N 2.98Å; L684-L687 PolarHBondContact O-N 3.06Å; L684-L687 VanDerWaalsContact O-N 3.15Å; I685-L687 VanDerWaalsContact C-N 3.27Å; I685-L687 PolarHBondContact O-N 3.2Å; L687-K689 VanDerWaalsContact C-N 3.33Å; L687-K689 PolarHBondContact O-N 3Å; L687-S690 PolarHBondContact O-N 2.89Å; L687-S690 PolarHBondContact O-OG 3.21Å
688	L	94.3	Very high	81.2	Confident	12 Å²	12	55.1 Å²	55.1	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-39	178.5	-72	170.3	0	0	0	112.3	L628 L631 K632 A645 L648 L684 I685 S690	L628-L688 HydrophobicContact CD1-CD2 3.75Å; L628-L688 HydrophobicContact CD1-CG 4.15Å; L631-L688 HydrophobicContact CB-CD2 3.55Å; K632-L688 HydrophobicContact CG-CD2 4.17Å; A645-L688 HydrophobicContact CB-CB 3.96Å; A645-L688 HydrophobicContact CB-CD1 4.33Å; L648-L688 HydrophobicContact CB-CD1 4.03Å; L684-L688 WeakPolarHBondContact O-CG 3.37Å; L684-L688 PolarHBondContact O-N 3.04Å; I685-L688 PolarHBondContact O-N 3.05Å; L688-S690 VanDerWaalsContact C-N 3.32Å; L688-S690 PolarHBondContact O-N 3.08Å
689	K	90.8	Very high	80.6	Confident	128 Å²	128	51.7 Å²	51.7	56%	0.557	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.6	179.6	-68.7	-173.1	175.3	-169.5	0	115.1	A645 E646 I685 L687	A645-K689 HydrophobicContact CB-CG 3.96Å; E646-K689 WeakPolarHBondContact OE1-CE 3.44Å; E646-K689 IonicContact OE1-NZ 3.3Å; E646-K689 PolarHBondContact OE1-NZ 3.31Å; I685-K689 HydrophobicContact CG2-CD 4.04Å; I685-K689 HydrophobicContact CG2-CG 4.4Å; I685-K689 WeakPolarHBondContact O-CG 3.2Å; I685-K689 PolarHBondContact O-N 3.39Å; L687-K689 VanDerWaalsContact C-N 3.33Å; L687-K689 PolarHBondContact O-N 3Å
690	S	84.5	Confident	79.7	Confident	13 Å²	13	53.4 Å²	53.4	9%	0.091	30%	0.298	C	S	.	.	S	Bend	trans	-79.6	139.7	-177.3	64.7	0	0	0	0	113.2	K632 S686 L687 L688	K632-S690 PolarHBondContact NZ-O 3.39Å; K632-S690 PolarHBondContact NZ-OG 3.39Å; S686-S690 PolarHBondContact O-N 2.68Å; L687-S690 PolarHBondContact O-N 2.89Å; L687-S690 PolarHBondContact O-OG 3.21Å; L688-S690 VanDerWaalsContact C-N 3.32Å; L688-S690 PolarHBondContact O-N 3.08Å
691	D	67.6	Low	78.7	Confident	149 Å²	149	56.9 Å²	56.9	80%	0.797	32%	0.317	S	S	*	.			trans	-59.6	146.8	-179.4	-91.8	-34.1	0	0	0	113.7	S693	D691-S693 VanDerWaalsContact C-N 3.27Å; D691-S693 PolarHBondContact O-N 2.78Å; D691-S693 VanDerWaalsContact O-N 3.09Å
692	Q	53.4	Low	77.4	Confident	121 Å²	121	59.9 Å²	59.9	57%	0.565	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-4.1	-162.3	-69.3	-160	-53.1	0	0	116.6	K636	K636-Q692 VanDerWaalsContact NZ-CD 3.27Å
693	S	47	Very low	76	Confident	119 Å²	119	58.3 Å²	58.3	83%	0.832	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	10.8	-160.2	61.2	0	0	0	0	117.7	D691	D691-S693 VanDerWaalsContact C-N 3.27Å; D691-S693 PolarHBondContact O-N 2.78Å; D691-S693 VanDerWaalsContact O-N 3.09Å
694	A	36.7	Very low	74.4	Confident	63 Å²	63	63 Å²	63	52%	0.521	36%	0.361	S	S	.	.			trans	-157.2	29	-175.8	0	0	0	0	0	118.7
695	V	38.9	Very low	72.4	Confident	82 Å²	82	67.9 Å²	67.9	50%	0.497	39%	0.39	S	S	.	.			trans	-102	0	170.4	-179.1	0	0	0	0	111	R610 T625	R610-V695 HydrophobicContact CG-CG2 4.05Å; T625-V695 HydrophobicContact CG2-CG1 4Å

Retrieved 695 of 695 residues in 268.6 ms (Link to these results)

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