A0A087XL30_POEFO Loading...

NAD(P)H oxidoreductase RTN4IP1, mitochondrial

AlphaFold DB , UniProt , Accession A0A087XL30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 403 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	32.1	Very low	30.8	Very low	227 Å²	227	163 Å²	163	100%	1.118	77%	0.768	S	S	*	*				0	100	0	-68	164.6	73.7	0	0	106.3
2	S	28.9	Very low	30.6	Very low	110 Å²	110	163.9 Å²	163.9	77%	0.769	78%	0.78	S	S	*	*				98.9	135.7	98.3	-58.8	0	0	0	0	108.6
3	C	26.1	Very low	30.4	Very low	107 Å²	107	165.5 Å²	165.5	72%	0.723	78%	0.782	S	S	*	*			cis	-154	146.4	3.4	-99.6	0	0	0	0	105.7
4	V	35.9	Very low	30.3	Very low	120 Å²	120	170.4 Å²	170.4	73%	0.727	79%	0.79	S	S	*	*			cis	59.8	111.2	42.8	-173.9	0	0	0	0	114.8
5	R	31	Very low	30.2	Very low	228 Å²	228	170.8 Å²	170.8	86%	0.86	79%	0.791	S	S	*	*			trans	-166.3	116.7	146.9	-103	161.2	-171.7	-150.1	0.9	108
6	Y	29.9	Very low	30.3	Very low	199 Å²	199	170.4 Å²	170.4	78%	0.78	80%	0.796	S	S	*	*				81.6	143.1	81.3	-96.5	-123.8	0	0	0	113.3
7	L	30.2	Very low	30.2	Very low	114 Å²	114	167.2 Å²	167.2	60%	0.597	80%	0.797	S	S	*	*			cis	-177.5	160.9	-25	-130.1	167.2	0	0	0	109.5
8	M	28.9	Very low	30.2	Very low	146 Å²	146	169.1 Å²	169.1	72%	0.719	80%	0.801	S	S	*	*			trans	70	153.4	162.6	-58.1	-153.5	175.4	0	0	117
9	H	31.3	Very low	30.1	Very low	130 Å²	130	165.6 Å²	165.6	60%	0.602	80%	0.797	S	S	*	*			cis	-159.9	176.4	4.7	-130.4	21.8	0	0	0	108.8
10	R	31.8	Very low	29.9	Very low	201 Å²	201	163.8 Å²	163.8	76%	0.758	80%	0.796	S	S	*	*			cis	-154.3	154.4	0.5	-156.9	172.7	-136.1	-164.8	9.4	111.6
11	R	32.7	Very low	29.7	Very low	211 Å²	211	161 Å²	161	80%	0.796	79%	0.792	S	S	*	*			trans	-29.3	153.7	167.7	-59.7	169	174.6	174.4	-3.3	120.7
12	L	28	Very low	29.6	Very low	174 Å²	174	158.2 Å²	158.2	91%	0.911	78%	0.776	S	S	*	*				-146.8	150.8	124	-119.7	133.6	0	0	0	111.9
13	F	28.1	Very low	29.5	Very low	184 Å²	184	162 Å²	162	81%	0.807	78%	0.781	S	S	*	*			trans	-142.3	147	-169.1	-119.7	-82.3	0	0	0	109.7
14	R	28.8	Very low	29.7	Very low	235 Å²	235	167.8 Å²	167.8	89%	0.887	79%	0.788	S	S	*	*			trans	142.9	149.2	161.1	-86.6	168.6	179.7	-156.6	0.4	109.8
15	H	29.6	Very low	29.6	Very low	176 Å²	176	168.5 Å²	168.5	82%	0.815	79%	0.792	S	S	*	*			cis	-155.8	173.1	-28.4	-131.4	-37.7	0	0	0	107.7
16	L	30.8	Very low	29.6	Very low	164 Å²	164	166.2 Å²	166.2	86%	0.859	79%	0.791	S	S	*	*			trans	-88	162.7	-168.1	-76.9	144.4	0	0	0	114.9
17	S	29.6	Very low	29.6	Very low	116 Å²	116	159.8 Å²	159.8	81%	0.811	79%	0.785	S	S	*	*			trans	109.1	112.7	139.3	-159.3	0	0	0	0	119.5
18	K	30.6	Very low	29.7	Very low	202 Å²	202	165.3 Å²	165.3	88%	0.878	80%	0.798	S	S	*	*			trans	-172.6	117.1	146.4	-97.2	167.3	-174.8	-177	0	104.8
19	S	27.6	Very low	29.8	Very low	103 Å²	103	166.7 Å²	166.7	72%	0.72	81%	0.807	S	S	*	*				96.1	107	57.3	-176.8	0	0	0	0	113
20	V	26.6	Very low	30	Very low	129 Å²	129	170.5 Å²	170.5	78%	0.782	82%	0.816	S	S	*	*			trans	89.6	137.7	143.5	170.4	0	0	0	0	122.1
21	C	24.8	Very low	30.2	Very low	105 Å²	105	168 Å²	168	71%	0.709	82%	0.818	S	S	*	*			trans	74.5	107.8	159.2	-83.7	0	0	0	0	123.8
22	E	30.9	Very low	30.7	Very low	168 Å²	168	166.1 Å²	166.1	79%	0.785	82%	0.819	S	S	*	*				41.2	120.1	123	-60.1	-165.8	138.4	0	0	121.8
23	H	27.2	Very low	31.4	Very low	190 Å²	190	162.2 Å²	162.2	88%	0.88	81%	0.805	S	S	*	*				-139.5	132	126.3	-95.7	-51.8	0	0	0	111
24	R	29.9	Very low	32.1	Very low	228 Å²	228	164.2 Å²	164.2	86%	0.86	81%	0.808	S	S	*	*			trans	-68.5	134.7	169.6	-77.6	-178.7	174.7	-174.5	-1	110.2
25	V	32.4	Very low	32.5	Very low	136 Å²	136	161 Å²	161	82%	0.824	81%	0.807	S	S	*	*			trans	-121.3	124.1	161.9	179.8	0	0	0	0	108.4	G27	V25-G27 PolarHBondContact O-N 2.74Å; V25-G27 VanDerWaalsContact O-N 3.12Å
26	H	31.6	Very low	33.1	Very low	180 Å²	180	159.8 Å²	159.8	83%	0.833	81%	0.805	S	S	*	*			trans	-72	101	175.1	-87.9	-73.5	0	0	0	110.5
27	G	30.9	Very low	33.4	Very low	63 Å²	63	162.9 Å²	162.9	65%	0.649	81%	0.806	S	S	*	*			trans	-90.9	118.5	171.1	0	0	0	0	0	112.1	V25 L29	V25-G27 PolarHBondContact O-N 2.74Å; V25-G27 VanDerWaalsContact O-N 3.12Å; G27-L29 PolarHBondContact O-N 2.73Å
28	W	30.9	Very low	34.1	Very low	231 Å²	231	163.3 Å²	163.3	88%	0.875	80%	0.803	S	S	*	*			trans	-65.9	94.6	170.1	-101.6	50.2	0	0	0	111	R30	W28-R30 PolarHBondContact O-N 2.74Å; W28-R30 VanDerWaalsContact O-N 3.13Å
29	L	31.2	Very low	34.9	Very low	174 Å²	174	158.3 Å²	158.3	91%	0.911	79%	0.794	S	S	*	*			trans	-81.4	86.5	168.5	-78.9	168.1	0	0	0	110.2	G27 N31	G27-L29 PolarHBondContact O-N 2.73Å; L29-N31 PolarHBondContact O-N 3.47Å; L29-N31 VanDerWaalsContact O-N 3.12Å
30	R	35.9	Very low	36.1	Very low	210 Å²	210	158.3 Å²	158.3	79%	0.792	79%	0.794	S	S	*	*			trans	-71.4	103.8	170.3	-135.2	-179.6	-172.4	-173.1	1.7	108.5	W28 Q32	W28-R30 PolarHBondContact O-N 2.74Å; W28-R30 VanDerWaalsContact O-N 3.13Å; R30-Q32 PolarHBondContact O-N 2.64Å
31	N	36.8	Very low	37.3	Very low	148 Å²	148	161.6 Å²	161.6	79%	0.791	80%	0.798	S	S	*	*			trans	-69.1	87	-173.3	-157.6	8	0	0	0	111.2	L29 S33	L29-N31 PolarHBondContact O-N 3.47Å; L29-N31 VanDerWaalsContact O-N 3.12Å; N31-S33 PolarHBondContact O-N 3.38Å
32	Q	43.4	Very low	38.9	Very low	173 Å²	173	160.6 Å²	160.6	81%	0.808	80%	0.797	S	S	*	*			trans	-79.5	71.2	169	-76.7	-162	-3.4	0	0	110.4	R30 R34	R30-Q32 PolarHBondContact O-N 2.64Å; Q32-R34 VanDerWaalsContact C-N 3.33Å; Q32-R34 PolarHBondContact O-N 2.87Å
33	S	41.4	Very low	40.9	Very low	91 Å²	91	157.1 Å²	157.1	64%	0.636	78%	0.782	S	S	*	*			trans	-62.2	97.5	159.5	54.8	0	0	0	0	108.4	N31 L35	N31-S33 PolarHBondContact O-N 3.38Å; S33-L35 PolarHBondContact O-N 3.35Å
34	R	42.7	Very low	43.8	Very low	226 Å²	226	153.2 Å²	153.2	85%	0.853	77%	0.771	S	S	*	*			trans	-56.8	111	166	-80.6	-176.5	173.9	-174.2	-2.2	107	Q32 I36	Q32-R34 VanDerWaalsContact C-N 3.33Å; Q32-R34 PolarHBondContact O-N 2.87Å; R34-I36 VanDerWaalsContact C-N 3.32Å; R34-I36 PolarHBondContact O-N 3.28Å
35	L	38.8	Very low	46.9	Very low	167 Å²	167	146.3 Å²	146.3	87%	0.874	75%	0.751	S	S	*	*			trans	-60.1	100.8	165.5	-87.1	156.4	0	0	0	107	S33 R37	S33-L35 PolarHBondContact O-N 3.35Å; L35-R37 PolarHBondContact O-N 3.5Å
36	I	40.2	Very low	50	Low	151 Å²	151	140.1 Å²	140.1	77%	0.774	71%	0.713	S	S	*	*			trans	-65.3	94	165.7	-61.1	176.3	0	0	0	105	R34 T38	R34-I36 VanDerWaalsContact C-N 3.32Å; R34-I36 PolarHBondContact O-N 3.28Å; I36-T38 VanDerWaalsContact C-N 3.32Å; I36-T38 PolarHBondContact O-N 2.9Å
37	R	38.4	Very low	53.1	Low	230 Å²	230	133.2 Å²	133.2	87%	0.868	68%	0.684	S	S	*	*			trans	-64.6	99.4	171.5	-170.8	-179.3	-172.6	-165	1.4	106.1	L35 S39	L35-R37 PolarHBondContact O-N 3.5Å; R37-S39 PolarHBondContact O-N 2.9Å
38	T	43.1	Very low	56.3	Low	124 Å²	124	130.2 Å²	130.2	76%	0.761	65%	0.653	S	S	*	*			trans	-53.2	115.1	170.4	49.9	0	0	0	0	107.1	I36	I36-T38 VanDerWaalsContact C-N 3.32Å; I36-T38 PolarHBondContact O-N 2.9Å
39	S	48.8	Very low	59.5	Low	98 Å²	98	120.4 Å²	120.4	69%	0.685	62%	0.616	S	S	*	*			trans	-51.7	147.5	-172.5	-167.8	0	0	0	0	111	R37 K41	R37-S39 PolarHBondContact O-N 2.9Å; S39-K41 PolarHBondContact O-N 3.19Å
40	S	52.7	Low	62.7	Low	103 Å²	103	112.3 Å²	112.3	72%	0.72	57%	0.573	S	S	*	*	S	Bend	trans	-46.3	135.7	158.9	42.2	0	0	0	0	108.6	A42	S40-A42 PolarHBondContact O-N 3.27Å
41	K	50.9	Low	65.7	Low	197 Å²	197	102.3 Å²	102.3	86%	0.857	54%	0.536	S	S	*	.			trans	-39.2	115.4	178.7	-77.8	-177	175.4	-179.4	0	109.2	S39 M43	S39-K41 PolarHBondContact O-N 3.19Å; K41-M43 PolarHBondContact O-N 3.27Å
42	A	58.7	Low	68.6	Low	84 Å²	84	98.5 Å²	98.5	69%	0.694	52%	0.515	S	S	*	.			trans	-57.2	115.8	177.1	0	0	0	0	0	107.3	S40 T44	S40-A42 PolarHBondContact O-N 3.27Å; A42-T44 PolarHBondContact O-N 3.3Å
43	M	73.4	Confident	71.2	Confident	95 Å²	95	96.3 Å²	96.3	47%	0.468	51%	0.505	S	S	.	.			trans	-70.5	106.5	175	-70.1	-172.7	-64.3	0	0	106.1	K41 I45 F68 F161	K41-M43 PolarHBondContact O-N 3.27Å; M43-I45 VanDerWaalsContact C-N 3.35Å; M43-F68 HydrophobicContact CB-CD2 3.92Å; M43-F68 HydrophobicContact CB-CE2 4.22Å; M43-F68 HydrophobicContact CE-CE2 4.12Å; M43-F68 WeakPolarHBondContact O-CB 3.46Å; M43-F68 WeakPolarHBondContact O-CD1 3.23Å; M43-F68 WeakPolarHBondContact O-CD2 3.47Å; M43-F68 WeakPolarHBondContact O-CG 3.46Å; M43-F161 HydrophobicContact CE-CE1 4.43Å; M43-F161 HydrophobicContact CE-CE2 3.8Å; M43-F161 HydrophobicContact CE-CZ 3.51Å
44	T	88.6	Confident	73.9	Confident	108 Å²	108	95 Å²	95	66%	0.663	49%	0.487	S	S	*	.			trans	-86.8	-14.5	176.2	51.2	0	0	0	0	111.9	A42 F68	A42-T44 PolarHBondContact O-N 3.3Å; T44-F68 PolarHBondContact O-N 3.37Å
45	I	94.6	Very high	76.5	Confident	83 Å²	83	85.4 Å²	85.4	43%	0.426	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158.4	179.2	59.2	175.4	0	0	0	111	M43 A66	M43-I45 VanDerWaalsContact C-N 3.35Å; I45-A66 CarbonylContact C-O 3.48Å; I45-A66 WeakPolarHBondContact CA-O 3.26Å
46	M	96	Very high	79.3	Confident	7 Å²	7	81.6 Å²	81.6	3%	0.034	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	158.7	176.4	62.9	172.7	-179.9	0	0	112.4	N64 A66 I121 A159 E160 F161	M46-N64 CarbonylContact C-O 3.42Å; M46-N64 CarbonylContact O-C 3.57Å; M46-A66 HydrophobicContact CG-CB 4.31Å; M46-A66 PolarHBondContact N-O 2.81Å; M46-A66 PolarHBondContact O-N 3.01Å; M46-A66 VanDerWaalsContact O-N 3.14Å; M46-I121 HydrophobicContact CE-CD1 4.09Å; M46-A159 HydrophobicContact CE-CB 3.64Å; M46-A159 HydrophobicContact SD-CB 4.02Å; M46-E160 HydrophobicContact CB-CB 4.33Å; M46-F161 HydrophobicContact CB-CD2 4.06Å; M46-F161 WeakPolarHBondContact CE-O 3.37Å; M46-F161 HydrophobicContact SD-CB 3.83Å; M46-F161 HydrophobicContact SD-CD2 3.99Å; M46-F161 HydrophobicContact SD-CG 4.44Å; M46-F161 PolarHBondContact SD-N 3.21Å
47	P	97.4	Very high	82	Confident	34 Å²	34	75.7 Å²	75.7	22%	0.221	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	133.9	164.1	-22.3	35.7	0	0	0	113.1	F62 T63 A159 E160 F375	P47-F62 HydrophobicContact CB-CE2 4.26Å; P47-F62 HydrophobicContact CB-CZ 4.14Å; P47-T63 CarbonylContact C-O 3.58Å; P47-T63 VanDerWaalsContact CA-O 3.27Å; P47-T63 WeakPolarHBondContact CA-O 3.47Å; P47-A159 WeakPolarHBondContact O-CA 3.29Å; P47-E160 WeakPolarHBondContact CD-OE2 3.24Å; P47-E160 PolarHBondContact O-N 2.67Å; P47-F375 HydrophobicContact CB-CE1 3.99Å
48	A	98.5	Very high	84.8	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.5	174.9	0	0	0	0	0	112.4	V50 T63 A66 I121 L158 A159	A48-V50 HydrophobicContact CB-CG1 4.22Å; A48-T63 HydrophobicContact CB-CG2 4.25Å; A48-T63 PolarHBondContact N-O 2.8Å; A48-T63 PolarHBondContact O-N 3.44Å; A48-A66 HydrophobicContact CB-CB 3.64Å; A48-I121 HydrophobicContact CB-CD1 4.23Å; A48-I121 HydrophobicContact CB-CG1 4.39Å; A48-L158 WeakPolarHBondContact CA-O 3.19Å; A48-A159 HydrophobicContact CB-CB 3.66Å
49	W	98.8	Very high	87.4	Confident	26 Å²	26	66.2 Å²	66.2	10%	0.098	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.9	156.8	-75.7	89.1	0	0	0	109.4	L60 F62 L158 F375 V378 P379	W49-L60 HydrophobicContact CE3-CB 4.03Å; W49-L60 HydrophobicContact CZ3-CB 4.16Å; W49-F62 AromaticContact CD1-CD2 3.97Å; W49-F62 HydrophobicContact CD2-CB 4.03Å; W49-F62 HydrophobicContact CD2-CD2 4.27Å; W49-F62 AromaticContact CE2-CD2 3.84Å; W49-F62 HydrophobicContact CE3-CB 4.06Å; W49-F62 HydrophobicContact CG-CD2 4.37Å; W49-F62 HydrophobicContact CH2-CB 3.86Å; W49-F62 HydrophobicContact CZ2-CB 3.83Å; W49-F62 HydrophobicContact CZ2-CD2 4.32Å; W49-F62 HydrophobicContact CZ2-CG 4.39Å; W49-F62 HydrophobicContact CZ3-CB 3.97Å; W49-F62 AromaticContact NE1-CD2 3.63Å; W49-L158 HydrophobicContact CB-CB 4.34Å; W49-L158 PolarHBondContact N-O 2.83Å; W49-F375 AromaticContact CD1-CD2 3.99Å; W49-F375 AromaticContact CD1-CE2 3.62Å; W49-F375 AromaticContact CD1-CZ 3.93Å; W49-F375 PolarHBondContact NE1-O 2.92Å; W49-V378 HydrophobicContact CB-CG1 4.14Å; W49-V378 HydrophobicContact CD2-CB 3.98Å; W49-V378 HydrophobicContact CD2-CG1 4.05Å; W49-V378 HydrophobicContact CG-CB 3.92Å; W49-V378 HydrophobicContact CG-CG1 3.82Å; W49-V378 HydrophobicContact CG-CG2 4.17Å; W49-V378 HydrophobicContact CZ2-CB 4.46Å; W49-P379 HydrophobicContact CE3-CG 4.19Å; W49-P379 VanDerWaalsContact CH2-CD 3.49Å; W49-P379 HydrophobicContact CH2-CG 3.35Å; W49-P379 HydrophobicContact CZ2-CG 4.03Å; W49-P379 HydrophobicContact CZ3-CG 3.45Å; W49-P379 VanDerWaalsContact CZ3-CG 3.45Å
50	V	98.6	Very high	89.8	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	162.9	-179.1	-62.5	0	0	0	0	110.7	A48 R61 T63 P119 L120 I121	A48-V50 HydrophobicContact CB-CG1 4.22Å; V50-R61 HydrophobicContact CG2-CB 4.31Å; V50-R61 WeakPolarHBondContact CG2-O 3.32Å; V50-R61 PolarHBondContact N-O 2.86Å; V50-R61 PolarHBondContact O-N 3.3Å; V50-T63 HydrophobicContact CG1-CG2 4.13Å; V50-T63 HydrophobicContact CG2-CG2 4.09Å; V50-P119 HydrophobicContact CB-CB 3.91Å; V50-P119 HydrophobicContact CG1-CB 4.02Å; V50-P119 HydrophobicContact CG2-CB 4.14Å; V50-L120 CarbonylContact C-O 3.09Å; V50-L120 VanDerWaalsContact CA-O 3.32Å; V50-L120 WeakPolarHBondContact CA-O 3.28Å; V50-I121 HydrophobicContact CG1-CG1 3.77Å
51	I	98.5	Very high	92	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.9	158.4	68.6	174.8	0	0	0	108.5	Y54 V59 L60 R94 F118 P119 L120 L122	I51-Y54 HydrophobicContact CD1-CD1 4.11Å; I51-Y54 HydrophobicContact CD1-CE1 4.43Å; I51-V59 HydrophobicContact CB-CG2 4.01Å; I51-V59 HydrophobicContact CG2-CG2 3.75Å; I51-L60 HydrophobicContact CG2-CD2 3.81Å; I51-L60 HydrophobicContact CG2-CG 4.45Å; I51-R94 HydrophobicContact CG2-CG 4.27Å; I51-F118 HydrophobicContact CD1-CE1 4.14Å; I51-F118 HydrophobicContact CG1-CD1 4.27Å; I51-F118 HydrophobicContact CG1-CE1 3.95Å; I51-F118 WeakPolarHBondContact O-CD1 3.37Å; I51-P119 WeakPolarHBondContact O-CA 3.31Å; I51-L120 HydrophobicContact CD1-CD2 4.16Å; I51-L120 HydrophobicContact CG1-CB 3.89Å; I51-L120 HydrophobicContact CG1-CD2 4.4Å; I51-L120 PolarHBondContact N-O 2.82Å; I51-L120 PolarHBondContact O-N 3Å; I51-L122 HydrophobicContact CG2-CD1 4.26Å
52	D	97.7	Very high	94.2	Very high	68 Å²	68	57.1 Å²	57.1	36%	0.364	31%	0.305	S	S	.	.	S	Bend	trans	-101.5	-9	175.8	-55.5	-67.5	0	0	0	112.5	R61 F118	D52-R61 IonicContact OD1-CZ 3.09Å; D52-R61 IonicContact OD1-NE 2.7Å; D52-R61 IonicContact OD1-NH2 2.58Å; D52-R61 PolarHBondContact OD1-NH2 2.98Å; D52-R61 IonicContact OD2-CZ 2.65Å; D52-R61 VanDerWaalsContact OD2-CZ 3.23Å; D52-R61 IonicContact OD2-NE 2.74Å; D52-R61 PolarHBondContact OD2-NE 2.84Å; D52-R61 IonicContact OD2-NH2 2.62Å; D52-R61 PolarHBondContact OD2-NH2 2.79Å; D52-F118 WeakPolarHBondContact O-CD2 3.42Å; D52-F118 VanDerWaalsContact O-CG 3.32Å; D52-F118 WeakPolarHBondContact O-CG 3.31Å
53	Q	97.3	Very high	96.1	Very high	127 Å²	127	54 Å²	54	59%	0.593	28%	0.277	S	S	*	.	S	Bend	trans	-156.3	161.8	175.9	61.8	-178.6	44.5	0	0	109.2	V59	Q53-V59 HydrophobicContact CG-CB 4.35Å; Q53-V59 HydrophobicContact CG-CG1 4.05Å; Q53-V59 WeakPolarHBondContact O-CG2 3.42Å
54	Y	98.1	Very high	97.2	Very high	63 Å²	63	53.9 Å²	53.9	25%	0.247	28%	0.279	C	S	.	.			trans	-75.5	148.8	172.5	-60.4	-60.5	0	0	0	111.7	I51 M93 R94 G96 E117 F118 L120	I51-Y54 HydrophobicContact CD1-CD1 4.11Å; I51-Y54 HydrophobicContact CD1-CE1 4.43Å; Y54-M93 VanDerWaalsContact CD1-O 3.32Å; Y54-M93 WeakPolarHBondContact CD1-O 3.49Å; Y54-M93 WeakPolarHBondContact CE1-O 3.42Å; Y54-R94 CarbonylContact C-O 3.58Å; Y54-R94 VanDerWaalsContact CA-O 3.3Å; Y54-R94 WeakPolarHBondContact CA-O 3.39Å; Y54-G96 VanDerWaalsContact CD1-CA 3.43Å; Y54-E117 PolarHBondContact OH-OE1 3.2Å; Y54-F118 HydrophobicContact CD1-CE1 4.33Å; Y54-F118 HydrophobicContact CD1-CZ 4.06Å; Y54-F118 HydrophobicContact CD2-CE2 4.45Å; Y54-F118 AromaticContact CD2-CZ 3.74Å; Y54-F118 HydrophobicContact CD2-CZ 3.74Å; Y54-F118 HydrophobicContact CE1-CE1 4.13Å; Y54-F118 AromaticContact CE1-CZ 3.92Å; Y54-F118 HydrophobicContact CE1-CZ 3.92Å; Y54-F118 HydrophobicContact CE2-CE2 4.16Å; Y54-F118 AromaticContact CE2-CZ 3.55Å; Y54-F118 HydrophobicContact CE2-CZ 3.55Å; Y54-F118 AromaticContact CG-CZ 3.98Å; Y54-F118 HydrophobicContact CG-CZ 3.98Å; Y54-F118 AromaticContact CZ-CZ 3.65Å; Y54-L120 HydrophobicContact CE1-CD2 4.39Å
55	G	97.7	Very high	97.5	Very high	25 Å²	25	54.2 Å²	54.2	26%	0.258	28%	0.276	S	S	.	.			trans	168.1	-159.5	176.6	0	0	0	0	0	116.1	R94 G95	G55-R94 PolarHBondContact N-O 3.08Å; G55-R94 CarbonylContact O-C 3.55Å; G55-R94 PolarHBondContact O-NE 3.05Å; G55-G95 WeakPolarHBondContact O-CA 2.94Å
56	N	97	Very high	97.6	Very high	87 Å²	87	50.8 Å²	50.8	47%	0.465	26%	0.261	S	S	.	.	S	Bend	trans	-72.5	-168.4	173.5	72	-12.7	0	0	0	111.1	D58 V59 R94	N56-D58 PolarHBondContact ND2-OD2 2.93Å; N56-D58 PolarHBondContact O-N 3.06Å; N56-D58 VanDerWaalsContact O-N 3.16Å; N56-D58 WeakPolarHBondContact OD1-CB 3.46Å; N56-D58 PolarHBondContact OD1-N 3.07Å; N56-D58 PolarHBondContact OD1-OD2 3.36Å; N56-V59 WeakPolarHBondContact O-CG2 3.48Å; N56-V59 PolarHBondContact O-N 3.31Å; N56-R94 VanDerWaalsContact C-CZ 3.5Å; N56-R94 WeakPolarHBondContact O-CD 3.31Å; N56-R94 PolarHBondContact O-NE 2.95Å; N56-R94 VanDerWaalsContact O-NE 3.1Å
57	N	97.2	Very high	97.6	Very high	27 Å²	27	55.2 Å²	55.2	14%	0.144	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-65.2	-19.1	-175.9	-146.3	39.4	0	0	0	114.1	V59 L60 R94 P379	N57-V59 VanDerWaalsContact C-N 3.26Å; N57-V59 PolarHBondContact O-N 2.91Å; N57-L60 WeakPolarHBondContact O-CB 3.21Å; N57-L60 PolarHBondContact O-N 3.4Å; N57-L60 WeakPolarHBondContact OD1-CD1 3.44Å; N57-R94 PolarHBondContact OD1-NH1 2.93Å; N57-P379 PolarHBondContact ND2-O 3.44Å
58	D	97.3	Very high	97.5	Very high	135 Å²	135	55.5 Å²	55.5	72%	0.722	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-74.8	-14.2	-173.9	-51.7	-34.9	0	0	0	113.2	N56 L60	N56-D58 PolarHBondContact ND2-OD2 2.93Å; N56-D58 PolarHBondContact O-N 3.06Å; N56-D58 VanDerWaalsContact O-N 3.16Å; N56-D58 WeakPolarHBondContact OD1-CB 3.46Å; N56-D58 PolarHBondContact OD1-N 3.07Å; N56-D58 PolarHBondContact OD1-OD2 3.36Å; D58-L60 PolarHBondContact O-N 3.48Å
59	V	98.3	Very high	97.4	Very high	21 Å²	21	56.4 Å²	56.4	13%	0.127	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-78	-6.9	175.6	-48.7	0	0	0	0	113.2	I51 Q53 N56 N57 R61 R94	I51-V59 HydrophobicContact CB-CG2 4.01Å; I51-V59 HydrophobicContact CG2-CG2 3.75Å; Q53-V59 HydrophobicContact CG-CB 4.35Å; Q53-V59 HydrophobicContact CG-CG1 4.05Å; Q53-V59 WeakPolarHBondContact O-CG2 3.42Å; N56-V59 WeakPolarHBondContact O-CG2 3.48Å; N56-V59 PolarHBondContact O-N 3.31Å; N57-V59 VanDerWaalsContact C-N 3.26Å; N57-V59 PolarHBondContact O-N 2.91Å; V59-R61 PolarHBondContact O-N 2.96Å; V59-R94 HydrophobicContact CG2-CG 3.9Å
60	L	98.4	Very high	97.2	Very high	19 Å²	19	60.7 Å²	60.7	10%	0.099	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	117.9	175.6	-72.5	169.5	0	0	0	110.9	W49 I51 N57 D58 L122 P379 L382	W49-L60 HydrophobicContact CE3-CB 4.03Å; W49-L60 HydrophobicContact CZ3-CB 4.16Å; I51-L60 HydrophobicContact CG2-CD2 3.81Å; I51-L60 HydrophobicContact CG2-CG 4.45Å; N57-L60 WeakPolarHBondContact O-CB 3.21Å; N57-L60 PolarHBondContact O-N 3.4Å; N57-L60 WeakPolarHBondContact OD1-CD1 3.44Å; D58-L60 PolarHBondContact O-N 3.48Å; L60-L122 HydrophobicContact CD2-CD1 4.47Å; L60-P379 HydrophobicContact CD1-CB 4.16Å; L60-P379 HydrophobicContact CD1-CG 4.25Å; L60-L382 HydrophobicContact CD1-CD1 3.57Å; L60-L382 HydrophobicContact CD2-CD1 3.93Å; L60-L382 HydrophobicContact CG-CD1 4.39Å
61	R	98.4	Very high	97.1	Very high	104 Å²	104	62.5 Å²	62.5	39%	0.392	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.3	177.9	-175.1	173.9	59.1	79	-0.4	111	V50 D52 V59	V50-R61 HydrophobicContact CG2-CB 4.31Å; V50-R61 WeakPolarHBondContact CG2-O 3.32Å; V50-R61 PolarHBondContact N-O 2.86Å; V50-R61 PolarHBondContact O-N 3.3Å; D52-R61 IonicContact OD1-CZ 3.09Å; D52-R61 IonicContact OD1-NE 2.7Å; D52-R61 IonicContact OD1-NH2 2.58Å; D52-R61 PolarHBondContact OD1-NH2 2.98Å; D52-R61 IonicContact OD2-CZ 2.65Å; D52-R61 VanDerWaalsContact OD2-CZ 3.23Å; D52-R61 IonicContact OD2-NE 2.74Å; D52-R61 PolarHBondContact OD2-NE 2.84Å; D52-R61 IonicContact OD2-NH2 2.62Å; D52-R61 PolarHBondContact OD2-NH2 2.79Å; V59-R61 PolarHBondContact O-N 2.96Å
62	F	98.4	Very high	96.9	Very high	83 Å²	83	68 Å²	68	36%	0.364	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	140.1	166.6	-177.9	-105.4	0	0	0	110.3	P47 W49 N64 F375	P47-F62 HydrophobicContact CB-CE2 4.26Å; P47-F62 HydrophobicContact CB-CZ 4.14Å; W49-F62 AromaticContact CD1-CD2 3.97Å; W49-F62 HydrophobicContact CD2-CB 4.03Å; W49-F62 HydrophobicContact CD2-CD2 4.27Å; W49-F62 AromaticContact CE2-CD2 3.84Å; W49-F62 HydrophobicContact CE3-CB 4.06Å; W49-F62 HydrophobicContact CG-CD2 4.37Å; W49-F62 HydrophobicContact CH2-CB 3.86Å; W49-F62 HydrophobicContact CZ2-CB 3.83Å; W49-F62 HydrophobicContact CZ2-CD2 4.32Å; W49-F62 HydrophobicContact CZ2-CG 4.39Å; W49-F62 HydrophobicContact CZ3-CB 3.97Å; W49-F62 AromaticContact NE1-CD2 3.63Å; F62-N64 WeakPolarHBondContact CE1-OD1 3.38Å; F62-N64 WeakPolarHBondContact CZ-OD1 3.42Å; F62-F375 HydrophobicContact CE2-CD1 4.16Å; F62-F375 AromaticContact CE2-CE1 3.77Å; F62-F375 HydrophobicContact CE2-CE1 3.77Å; F62-F375 HydrophobicContact CE2-CZ 4.49Å
63	T	97.8	Very high	96.9	Very high	18 Å²	18	71.9 Å²	71.9	11%	0.11	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	140.5	176	-177	0	0	0	0	110.5	P47 A48 V50 N65 A66	P47-T63 CarbonylContact C-O 3.58Å; P47-T63 VanDerWaalsContact CA-O 3.27Å; P47-T63 WeakPolarHBondContact CA-O 3.47Å; A48-T63 HydrophobicContact CB-CG2 4.25Å; A48-T63 PolarHBondContact N-O 2.8Å; A48-T63 PolarHBondContact O-N 3.44Å; V50-T63 HydrophobicContact CG1-CG2 4.13Å; V50-T63 HydrophobicContact CG2-CG2 4.09Å; T63-N65 VanDerWaalsContact C-N 3.32Å; T63-N65 PolarHBondContact OG1-N 2.75Å; T63-A66 HydrophobicContact CG2-CB 3.9Å
64	N	96.1	Very high	97	Very high	94 Å²	94	68.6 Å²	68.6	50%	0.503	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-2.4	167.4	-67.4	-48.9	0	0	0	112.4	M46 F62	M46-N64 CarbonylContact C-O 3.42Å; M46-N64 CarbonylContact O-C 3.57Å; F62-N64 WeakPolarHBondContact CE1-OD1 3.38Å; F62-N64 WeakPolarHBondContact CZ-OD1 3.42Å
65	N	96.3	Very high	97	Very high	114 Å²	114	68.6 Å²	68.6	61%	0.61	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	23.3	-167.2	-59.7	-4.6	0	0	0	112.3	T63	T63-N65 VanDerWaalsContact C-N 3.32Å; T63-N65 PolarHBondContact OG1-N 2.75Å
66	A	96.4	Very high	97	Very high	12 Å²	12	68 Å²	68	10%	0.099	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	138.4	171	0	0	0	0	0	109.1	I45 M46 A48 T63 F68	I45-A66 CarbonylContact C-O 3.48Å; I45-A66 WeakPolarHBondContact CA-O 3.26Å; M46-A66 HydrophobicContact CG-CB 4.31Å; M46-A66 PolarHBondContact N-O 2.81Å; M46-A66 PolarHBondContact O-N 3.01Å; M46-A66 VanDerWaalsContact O-N 3.14Å; A48-A66 HydrophobicContact CB-CB 3.64Å; T63-A66 HydrophobicContact CG2-CB 3.9Å; A66-F68 PolarHBondContact O-N 2.92Å
67	S	94.8	Very high	97.1	Very high	99 Å²	99	63.9 Å²	63.9	69%	0.692	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57	133.2	179.1	-53.9	0	0	0	0	111
68	F	95.8	Very high	97.1	Very high	41 Å²	41	62.7 Å²	62.7	18%	0.18	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-61.6	137.9	172.7	-173.4	-91.8	0	0	0	109.9	M43 T44 A66 I78 F161	M43-F68 HydrophobicContact CB-CD2 3.92Å; M43-F68 HydrophobicContact CB-CE2 4.22Å; M43-F68 HydrophobicContact CE-CE2 4.12Å; M43-F68 WeakPolarHBondContact O-CB 3.46Å; M43-F68 WeakPolarHBondContact O-CD1 3.23Å; M43-F68 WeakPolarHBondContact O-CD2 3.47Å; M43-F68 WeakPolarHBondContact O-CG 3.46Å; T44-F68 PolarHBondContact O-N 3.37Å; A66-F68 PolarHBondContact O-N 2.92Å; F68-I78 HydrophobicContact CE1-CD1 3.89Å; F68-I78 HydrophobicContact CZ-CG2 4.24Å; F68-F161 AromaticContact CD2-CD2 3.84Å; F68-F161 HydrophobicContact CD2-CD2 3.84Å; F68-F161 HydrophobicContact CD2-CE2 4.23Å; F68-F161 HydrophobicContact CD2-CG 4.3Å; F68-F161 HydrophobicContact CE2-CB 4.26Å; F68-F161 AromaticContact CE2-CD1 4Å; F68-F161 HydrophobicContact CE2-CD1 4Å; F68-F161 AromaticContact CE2-CD2 3.45Å; F68-F161 HydrophobicContact CE2-CD2 3.45Å; F68-F161 VanDerWaalsContact CE2-CD2 3.45Å; F68-F161 HydrophobicContact CE2-CE1 4.21Å; F68-F161 AromaticContact CE2-CE2 3.71Å; F68-F161 HydrophobicContact CE2-CE2 3.71Å; F68-F161 AromaticContact CE2-CG 3.63Å; F68-F161 HydrophobicContact CE2-CG 3.63Å; F68-F161 HydrophobicContact CE2-CZ 4.09Å; F68-F161 HydrophobicContact CZ-CD1 4.36Å; F68-F161 HydrophobicContact CZ-CG 4.28Å
69	P	95.7	Very high	97.2	Very high	18 Å²	18	56.2 Å²	56.2	12%	0.117	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-63.6	145.4	-178.3	25.6	-34.7	0	0	0	111.8	I78 F161 V163	P69-I78 HydrophobicContact CG-CG2 3.97Å; P69-I78 VanDerWaalsContact O-CD1 3.3Å; P69-I78 WeakPolarHBondContact O-CD1 3.04Å; P69-F161 HydrophobicContact CG-CB 3.63Å; P69-V163 HydrophobicContact CB-CB 4.03Å; P69-V163 HydrophobicContact CB-CG1 4.25Å
70	I	95.3	Very high	97.2	Very high	117 Å²	117	57.6 Å²	57.6	60%	0.6	29%	0.294	S	S	*	.			trans	-119.9	137.7	-179.8	-56.2	175.9	0	0	0	108.2	N72	I70-N72 PolarHBondContact O-N 3.13Å; I70-N72 PolarHBondContact O-ND2 3.22Å
71	I	96.4	Very high	97.2	Very high	40 Å²	40	56.7 Å²	56.7	21%	0.205	29%	0.29	C	S	.	.			trans	-70.7	107.7	168.5	-66.1	-179.7	0	0	0	107.6	Y73 E76 I78 E132	I71-Y73 VanDerWaalsContact CG2-O 3.25Å; I71-Y73 WeakPolarHBondContact CG2-O 3.48Å; I71-E76 HydrophobicContact CG2-CB 4.25Å; I71-I78 HydrophobicContact CD1-CD1 4.38Å; I71-I78 HydrophobicContact CD1-CG1 4.22Å; I71-I78 HydrophobicContact CG1-CD1 3.97Å; I71-I78 HydrophobicContact CG1-CG1 3.81Å; I71-E132 HydrophobicContact CD1-CB 4.23Å; I71-E132 HydrophobicContact CD1-CG 3.88Å
72	N	95.8	Very high	97.2	Very high	117 Å²	117	53.1 Å²	53.1	63%	0.626	28%	0.277	S	S	*	.			trans	-93.2	-28.9	177.8	-63.8	-80.8	0	0	0	111.1	I70 E76	I70-N72 PolarHBondContact O-N 3.13Å; I70-N72 PolarHBondContact O-ND2 3.22Å; N72-E76 PolarHBondContact N-OE2 3.36Å
73	Y	97.5	Very high	97.2	Very high	149 Å²	149	49.1 Å²	49.1	58%	0.584	26%	0.259	S	S	*	.	S	Bend	trans	-121.9	143.1	-179.7	-56.2	-77.1	0	0	0	111.1	I71 N75 E76	I71-Y73 VanDerWaalsContact CG2-O 3.25Å; I71-Y73 WeakPolarHBondContact CG2-O 3.48Å; Y73-N75 VanDerWaalsContact CB-OD1 3.26Å; Y73-N75 WeakPolarHBondContact CB-OD1 3.43Å; Y73-N75 PolarHBondContact O-N 3.2Å; Y73-E76 PolarHBondContact N-OE2 3.21Å; Y73-E76 WeakPolarHBondContact O-CB 3.12Å; Y73-E76 PolarHBondContact O-N 2.74Å
74	P	97.8	Very high	97.3	Very high	58 Å²	58	48.3 Å²	48.3	38%	0.377	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.3	-172.8	29.6	-37.6	0	0	0	114	G134 L135 D136	P74-G134 CarbonylContact O-C 3.45Å; P74-G134 WeakPolarHBondContact O-CA 3.26Å; P74-L135 PolarHBondContact O-N 3.48Å; P74-D136 HydrophobicContact CB-CB 4.06Å; P74-D136 WeakPolarHBondContact CB-OD2 3.4Å; P74-D136 HydrophobicContact CG-CB 4.44Å; P74-D136 WeakPolarHBondContact CG-OD2 3.5Å; P74-D136 WeakPolarHBondContact O-CA 3.34Å; P74-D136 WeakPolarHBondContact O-CB 3.49Å; P74-D136 PolarHBondContact O-N 3.2Å
75	N	98	Very high	97.4	Very high	63 Å²	63	43.8 Å²	43.8	34%	0.337	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	7.8	174.7	72.2	-53.7	0	0	0	113.7	Y73 A166	Y73-N75 VanDerWaalsContact CB-OD1 3.26Å; Y73-N75 WeakPolarHBondContact CB-OD1 3.43Å; Y73-N75 PolarHBondContact O-N 3.2Å; N75-A166 VanDerWaalsContact O-CB 3.32Å; N75-A166 WeakPolarHBondContact O-CB 3.45Å; N75-A166 PolarHBondContact O-N 3.28Å
76	E	98.4	Very high	97.5	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.056	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	157	178.6	-65.9	178.4	136.5	0	0	113	I71 N72 Y73 G134 V137 V163 L164	I71-E76 HydrophobicContact CG2-CB 4.25Å; N72-E76 PolarHBondContact N-OE2 3.36Å; Y73-E76 PolarHBondContact N-OE2 3.21Å; Y73-E76 WeakPolarHBondContact O-CB 3.12Å; Y73-E76 PolarHBondContact O-N 2.74Å; E76-G134 PolarHBondContact O-N 3.18Å; E76-V137 WeakPolarHBondContact O-CG2 3.41Å; E76-V163 HydrophobicContact CB-CG2 3.81Å; E76-V163 HydrophobicContact CG-CG2 4.17Å; E76-L164 CarbonylContact C-O 3.43Å; E76-L164 WeakPolarHBondContact CA-O 3.5Å
77	V	98.4	Very high	97.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.8	169.9	-60.1	0	0	0	0	110	V79 I130 E132 C133 V137 V163 L164 I169	V77-V79 HydrophobicContact CG2-CG2 3.94Å; V77-I130 HydrophobicContact CB-CG2 4.47Å; V77-I130 HydrophobicContact CG1-CD1 4.43Å; V77-E132 WeakPolarHBondContact CA-O 3.3Å; V77-C133 HydrophobicContact CG1-CB 4.43Å; V77-V137 HydrophobicContact CG1-CB 4.48Å; V77-V137 HydrophobicContact CG1-CG1 3.92Å; V77-V137 HydrophobicContact CG1-CG2 3.88Å; V77-V163 WeakPolarHBondContact O-CA 3.47Å; V77-L164 HydrophobicContact CG2-CB 4.3Å; V77-L164 PolarHBondContact N-O 3.15Å; V77-L164 PolarHBondContact O-N 2.92Å; V77-I169 HydrophobicContact CG1-CD1 4.16Å; V77-I169 HydrophobicContact CG2-CD1 3.64Å; V77-I169 HydrophobicContact CG2-CG2 4.31Å
78	I	98.4	Very high	97.6	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.1	166.1	-62	174	0	0	0	108.2	F68 P69 I71 M131 E132 F161	F68-I78 HydrophobicContact CE1-CD1 3.89Å; F68-I78 HydrophobicContact CZ-CG2 4.24Å; P69-I78 HydrophobicContact CG-CG2 3.97Å; P69-I78 VanDerWaalsContact O-CD1 3.3Å; P69-I78 WeakPolarHBondContact O-CD1 3.04Å; I71-I78 HydrophobicContact CD1-CD1 4.38Å; I71-I78 HydrophobicContact CD1-CG1 4.22Å; I71-I78 HydrophobicContact CG1-CD1 3.97Å; I71-I78 HydrophobicContact CG1-CG1 3.81Å; I78-M131 HydrophobicContact CG2-CB 4.31Å; I78-M131 PolarHBondContact O-N 2.9Å; I78-E132 HydrophobicContact CB-CB 4.36Å; I78-E132 HydrophobicContact CD1-CB 4.46Å; I78-E132 PolarHBondContact N-O 3.04Å; I78-E132 PolarHBondContact O-N 2.9Å; I78-F161 HydrophobicContact CG2-CB 4.16Å; I78-F161 HydrophobicContact CG2-CD1 4.3Å
79	V	98.5	Very high	97.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.7	178	-179.5	0	0	0	0	109.2	V77 V126 V129 I130 V146 F161 V162 L164	V77-V79 HydrophobicContact CG2-CG2 3.94Å; V79-V126 HydrophobicContact CG1-CG2 4.24Å; V79-V129 WeakPolarHBondContact CA-O 3.17Å; V79-I130 HydrophobicContact CG2-CG1 4.32Å; V79-V146 HydrophobicContact CG1-CG2 3.88Å; V79-V146 HydrophobicContact CG2-CG2 3.82Å; V79-F161 CarbonylContact O-C 3.58Å; V79-F161 VanDerWaalsContact O-CA 3.26Å; V79-F161 WeakPolarHBondContact O-CA 3.47Å; V79-V162 HydrophobicContact CB-CG1 4.25Å; V79-V162 PolarHBondContact N-O 2.85Å; V79-V162 PolarHBondContact O-N 2.98Å; V79-L164 HydrophobicContact CG2-CD1 4.02Å
80	K	98.4	Very high	97.8	Very high	50 Å²	50	36.3 Å²	36.3	22%	0.217	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.8	165.1	-175.8	-178.4	-178.1	76.5	0	108.4	F82 G128 V129 M131 E160 F161	K80-F82 HydrophobicContact CB-CE2 4.4Å; K80-F82 HydrophobicContact CD-CE2 4.02Å; K80-F82 HydrophobicContact CG-CD2 4.46Å; K80-F82 HydrophobicContact CG-CE2 4.17Å; K80-F82 WeakPolarHBondContact O-CD2 3.38Å; K80-G128 WeakPolarHBondContact O-CA 3.38Å; K80-V129 PolarHBondContact N-O 3.09Å; K80-V129 PolarHBondContact O-N 2.86Å; K80-M131 HydrophobicContact CB-CG 3.67Å; K80-M131 HydrophobicContact CB-SD 3.92Å; K80-M131 HydrophobicContact CD-SD 4.34Å; K80-E160 CarbonylContact C-O 2.99Å; K80-E160 WeakPolarHBondContact CA-O 3.4Å; K80-E160 IonicContact NZ-OE1 3.59Å; K80-E160 PolarHBondContact NZ-OE1 2.98Å; K80-F161 HydrophobicContact CB-CD1 3.82Å; K80-F161 HydrophobicContact CB-CE1 3.67Å; K80-F161 HydrophobicContact CD-CE1 4.19Å; K80-F161 HydrophobicContact CG-CD1 4.15Å; K80-F161 HydrophobicContact CG-CE1 3.69Å; K80-F161 HydrophobicContact CG-CZ 4.26Å
81	V	98.7	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	125.7	-175.5	-172.7	0	0	0	0	110.5	A84 V126 A159 E160 V162 I398 S399	V81-A84 HydrophobicContact CG1-CB 4.49Å; V81-V126 HydrophobicContact CB-CG2 4.45Å; V81-V126 HydrophobicContact CG1-CG2 4.06Å; V81-V126 HydrophobicContact CG2-CG2 3.95Å; V81-A159 WeakPolarHBondContact CB-O 3.32Å; V81-A159 WeakPolarHBondContact CG2-O 3.45Å; V81-E160 PolarHBondContact N-O 3.09Å; V81-V162 HydrophobicContact CG2-CB 4.32Å; V81-V162 HydrophobicContact CG2-CG1 3.86Å; V81-I398 HydrophobicContact CB-CD1 4.35Å; V81-I398 HydrophobicContact CB-CG2 4.47Å; V81-I398 HydrophobicContact CG1-CB 4.25Å; V81-I398 HydrophobicContact CG1-CD1 3.71Å; V81-I398 HydrophobicContact CG1-CG1 4.21Å; V81-S399 PolarHBondContact O-OG 2.74Å
82	F	98.6	Very high	98	Very high	28 Å²	28	32 Å²	32	12%	0.123	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-44.3	174.6	-77.4	-137.6	0	0	0	109.4	K80 S127 V129 H178 I398 S399 G401	K80-F82 HydrophobicContact CB-CE2 4.4Å; K80-F82 HydrophobicContact CD-CE2 4.02Å; K80-F82 HydrophobicContact CG-CD2 4.46Å; K80-F82 HydrophobicContact CG-CE2 4.17Å; K80-F82 WeakPolarHBondContact O-CD2 3.38Å; F82-S127 PolarHBondContact N-O 2.69Å; F82-V129 HydrophobicContact CD2-CG2 4.38Å; F82-V129 HydrophobicContact CE1-CG2 4.23Å; F82-V129 HydrophobicContact CE2-CB 3.95Å; F82-V129 HydrophobicContact CE2-CG2 3.64Å; F82-V129 HydrophobicContact CZ-CB 4.25Å; F82-V129 HydrophobicContact CZ-CG2 3.56Å; F82-H178 HydrophobicContact CB-CB 3.73Å; F82-H178 AromaticContact CD1-CD2 3.25Å; F82-H178 WeakPolarHBondContact CD1-CD2 3.25Å; F82-H178 AromaticContact CD1-CG 3.94Å; F82-H178 AromaticContact CD1-NE2 3.61Å; F82-H178 AromaticContact CE1-CD2 3.88Å; F82-H178 AromaticContact CE1-NE2 3.85Å; F82-H178 AromaticContact CG-CD2 3.78Å; F82-I398 PolarHBondContact O-N 3.01Å; F82-S399 PolarHBondContact O-N 2.76Å; F82-G401 VanDerWaalsContact CE1-CA 3.46Å
83	A	98.8	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	153	173.2	0	0	0	0	0	112.7	S127 A182 V395 V396	A83-S127 PolarHBondContact N-O 2.73Å; A83-S127 VanDerWaalsContact N-O 3.07Å; A83-S127 PolarHBondContact O-N 3.48Å; A83-A182 HydrophobicContact CB-CB 3.64Å; A83-A182 WeakPolarHBondContact O-CB 3.25Å; A83-V395 HydrophobicContact CB-CG1 3.99Å; A83-V396 CarbonylContact C-O 3.49Å; A83-V396 VanDerWaalsContact CA-O 3.24Å; A83-V396 WeakPolarHBondContact CA-O 3.35Å
84	A	98.7	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.4	177.1	0	0	0	0	0	110.7	V81 D125 S157 L158 V396 I398	V81-A84 HydrophobicContact CG1-CB 4.49Å; A84-D125 WeakPolarHBondContact CA-O 3.32Å; A84-D125 WeakPolarHBondContact CB-O 3.38Å; A84-S157 WeakPolarHBondContact CB-OG 3.4Å; A84-L158 HydrophobicContact CB-CD2 4.15Å; A84-V396 PolarHBondContact N-O 3.11Å; A84-V396 PolarHBondContact O-N 3.3Å; A84-I398 HydrophobicContact CB-CD1 3.89Å
85	G	98.2	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	140.5	169.5	0	0	0	0	0	111.8	A182	G85-A182 WeakPolarHBondContact CA-O 3.1Å; G85-A182 PolarHBondContact N-O 2.87Å
86	L	98.4	Very high	98.1	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.021	11%	0.109	C	C	.	.			trans	-94.9	148.3	173.2	-62.2	-177.8	0	0	0	111	L158 A381 L382 V385 K393 T394 V396	L86-L158 HydrophobicContact CD2-CD1 4.04Å; L86-L158 HydrophobicContact CD2-CD2 4.04Å; L86-L158 HydrophobicContact CD2-CG 4.48Å; L86-A381 HydrophobicContact CD1-CB 3.42Å; L86-A381 VanDerWaalsContact CD1-CB 3.42Å; L86-L382 HydrophobicContact CD1-CD2 4.06Å; L86-L382 HydrophobicContact CD1-CG 3.99Å; L86-L382 HydrophobicContact CD2-CD2 4.08Å; L86-L382 HydrophobicContact CD2-CG 4.44Å; L86-V385 HydrophobicContact CB-CG2 3.85Å; L86-V385 HydrophobicContact CD1-CG2 4.29Å; L86-K393 PolarHBondContact O-NZ 3.34Å; L86-T394 HydrophobicContact CD1-CG2 4.15Å; L86-T394 PolarHBondContact N-O 2.99Å; L86-V396 HydrophobicContact CD1-CG2 3.94Å; L86-V396 HydrophobicContact CD2-CG2 4.31Å; L86-V396 HydrophobicContact CG-CG2 4.03Å
87	N	97.8	Very high	98	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.021	12%	0.12	C	C	.	.			trans	-132.7	156.8	179.8	-64.1	-81.9	0	0	0	110.8	I89 D90 D125 Y186 K393	N87-I89 HydrophobicContact CB-CG2 3.73Å; N87-I89 PolarHBondContact O-N 3.38Å; N87-I89 VanDerWaalsContact O-N 3.15Å; N87-D90 PolarHBondContact N-OD2 2.93Å; N87-D90 WeakPolarHBondContact O-CB 3.48Å; N87-D90 PolarHBondContact O-N 2.94Å; N87-D125 PolarHBondContact ND2-OD2 3.28Å; N87-Y186 HydrophobicContact CB-CD1 4.27Å; N87-Y186 WeakPolarHBondContact OD1-CD1 3.26Å; N87-K393 VanDerWaalsContact CG-NZ 3.25Å; N87-K393 PolarHBondContact ND2-NZ 2.62Å; N87-K393 PolarHBondContact OD1-NZ 3.12Å
88	P	97	Very high	97.9	Very high	94 Å²	94	19.9 Å²	19.9	61%	0.61	12%	0.12	S	C	*	.	H	α-helix	trans	-54.1	-33.6	172.8	-27.5	36	0	0	0	113.2	D90 V91 S92	P88-D90 PolarHBondContact O-N 3.46Å; P88-V91 PolarHBondContact O-N 3.19Å; P88-V91 VanDerWaalsContact O-N 3.16Å; P88-S92 PolarHBondContact O-N 2.94Å; P88-S92 PolarHBondContact O-OG 3.44Å; P88-S92 VanDerWaalsContact O-OG 3.09Å
89	I	97.1	Very high	97.7	Very high	25 Å²	25	21.4 Å²	21.4	13%	0.128	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-27.8	176.4	-169.2	59.5	0	0	0	113	N87 S92 M93 Y97 R124 Y186	N87-I89 HydrophobicContact CB-CG2 3.73Å; N87-I89 PolarHBondContact O-N 3.38Å; N87-I89 VanDerWaalsContact O-N 3.15Å; I89-S92 PolarHBondContact O-N 3.29Å; I89-M93 HydrophobicContact CD1-CG 4.12Å; I89-M93 HydrophobicContact CG1-CG 4.09Å; I89-M93 HydrophobicContact CG1-SD 3.91Å; I89-M93 VanDerWaalsContact O-CB 3.22Å; I89-M93 WeakPolarHBondContact O-CB 3.4Å; I89-M93 WeakPolarHBondContact O-CG 3.49Å; I89-M93 PolarHBondContact O-N 3.1Å; I89-Y97 HydrophobicContact CD1-CD1 3.78Å; I89-Y97 HydrophobicContact CD1-CE1 3.82Å; I89-R124 HydrophobicContact CG2-CG 3.89Å; I89-Y186 HydrophobicContact CG2-CE1 3.91Å
90	D	98.2	Very high	97.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68	-42.5	175.8	-65.2	-62.4	0	0	0	111	N87 P88 R94 G123 R124 L382	N87-D90 PolarHBondContact N-OD2 2.93Å; N87-D90 WeakPolarHBondContact O-CB 3.48Å; N87-D90 PolarHBondContact O-N 2.94Å; P88-D90 PolarHBondContact O-N 3.46Å; D90-R94 WeakPolarHBondContact O-CB 3.36Å; D90-R94 PolarHBondContact O-N 3.01Å; D90-G123 VanDerWaalsContact OD1-CA 3.29Å; D90-G123 WeakPolarHBondContact OD1-CA 3.4Å; D90-G123 PolarHBondContact OD1-N 2.86Å; D90-R124 WeakPolarHBondContact OD1-CG 3.49Å; D90-R124 IonicContact OD1-CZ 3.95Å; D90-R124 IonicContact OD1-NH1 2.97Å; D90-R124 PolarHBondContact OD1-NH1 2.97Å; D90-L382 HydrophobicContact CB-CD2 3.96Å
91	V	98.2	Very high	97.2	Very high	17 Å²	17	20.8 Å²	20.8	10%	0.103	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-43.2	174.1	-179.6	0	0	0	0	110.7	P88 R94 G95 L382 V385 E386	P88-V91 PolarHBondContact O-N 3.19Å; P88-V91 VanDerWaalsContact O-N 3.16Å; V91-R94 WeakPolarHBondContact O-CB 3.14Å; V91-R94 PolarHBondContact O-N 3.15Å; V91-G95 PolarHBondContact O-N 2.84Å; V91-L382 HydrophobicContact CG2-CD2 3.86Å; V91-V385 HydrophobicContact CG2-CB 4.14Å; V91-V385 HydrophobicContact CG2-CG1 3.84Å; V91-E386 HydrophobicContact CG1-CB 3.82Å; V91-E386 HydrophobicContact CG1-CG 3.79Å; V91-E386 HydrophobicContact CG2-CB 4.27Å
92	S	97.4	Very high	97.1	Very high	48 Å²	48	21.4 Å²	21.4	34%	0.336	14%	0.138	S	C	.	.	H	α-helix	trans	-64.1	-45.4	177.2	-51.7	0	0	0	0	112	P88 I89 R94 G95 G96 Y97	P88-S92 PolarHBondContact O-N 2.94Å; P88-S92 PolarHBondContact O-OG 3.44Å; P88-S92 VanDerWaalsContact O-OG 3.09Å; I89-S92 PolarHBondContact O-N 3.29Å; S92-R94 VanDerWaalsContact C-N 3.34Å; S92-R94 PolarHBondContact O-N 2.86Å; S92-G95 CarbonylContact O-C 3.48Å; S92-G95 WeakPolarHBondContact O-CA 3.26Å; S92-G95 PolarHBondContact O-N 3.48Å; S92-G95 VanDerWaalsContact O-N 3.07Å; S92-G96 PolarHBondContact O-N 3.3Å; S92-Y97 WeakPolarHBondContact O-CB 3.42Å; S92-Y97 PolarHBondContact O-N 3.41Å
93	M	98.1	Very high	96.8	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.02	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-37.3	176.7	-76.4	173.4	63.7	0	0	112.1	Y54 I89 G95 G96 L122 P152	Y54-M93 VanDerWaalsContact CD1-O 3.32Å; Y54-M93 WeakPolarHBondContact CD1-O 3.49Å; Y54-M93 WeakPolarHBondContact CE1-O 3.42Å; I89-M93 HydrophobicContact CD1-CG 4.12Å; I89-M93 HydrophobicContact CG1-CG 4.09Å; I89-M93 HydrophobicContact CG1-SD 3.91Å; I89-M93 VanDerWaalsContact O-CB 3.22Å; I89-M93 WeakPolarHBondContact O-CB 3.4Å; I89-M93 WeakPolarHBondContact O-CG 3.49Å; I89-M93 PolarHBondContact O-N 3.1Å; M93-G95 PolarHBondContact O-N 3.36Å; M93-G96 PolarHBondContact O-N 3.46Å; M93-L122 HydrophobicContact CB-CD2 4.01Å; M93-L122 HydrophobicContact CE-CD2 4.24Å; M93-P152 HydrophobicContact CE-CB 4.09Å; M93-P152 WeakPolarHBondContact CE-O 3.23Å; M93-P152 HydrophobicContact SD-CB 3.69Å
94	R	98.2	Very high	96.5	Very high	6 Å²	6	25.3 Å²	25.3	2%	0.023	16%	0.164	C	C	.	.	H	α-helix	trans	-54.7	-41.9	170.7	-169.1	-161.1	68.6	-152.6	-8.7	110.9	I51 Y54 G55 N56 N57 V59 D90 V91 S92 G96 L122 E386	I51-R94 HydrophobicContact CG2-CG 4.27Å; Y54-R94 CarbonylContact C-O 3.58Å; Y54-R94 VanDerWaalsContact CA-O 3.3Å; Y54-R94 WeakPolarHBondContact CA-O 3.39Å; G55-R94 PolarHBondContact N-O 3.08Å; G55-R94 CarbonylContact O-C 3.55Å; G55-R94 PolarHBondContact O-NE 3.05Å; N56-R94 VanDerWaalsContact C-CZ 3.5Å; N56-R94 WeakPolarHBondContact O-CD 3.31Å; N56-R94 PolarHBondContact O-NE 2.95Å; N56-R94 VanDerWaalsContact O-NE 3.1Å; N57-R94 PolarHBondContact OD1-NH1 2.93Å; V59-R94 HydrophobicContact CG2-CG 3.9Å; D90-R94 WeakPolarHBondContact O-CB 3.36Å; D90-R94 PolarHBondContact O-N 3.01Å; V91-R94 WeakPolarHBondContact O-CB 3.14Å; V91-R94 PolarHBondContact O-N 3.15Å; S92-R94 VanDerWaalsContact C-N 3.34Å; S92-R94 PolarHBondContact O-N 2.86Å; R94-G96 VanDerWaalsContact C-N 3.28Å; R94-G96 PolarHBondContact O-N 3.19Å; R94-L122 HydrophobicContact CB-CD1 3.82Å; R94-L122 HydrophobicContact CG-CD1 4.22Å; R94-E386 IonicContact CZ-OE1 2.98Å; R94-E386 IonicContact CZ-OE2 3.46Å; R94-E386 IonicContact NH1-OE1 2.69Å; R94-E386 IonicContact NH1-OE2 3.59Å; R94-E386 PolarHBondContact NH1-OE2 2.57Å; R94-E386 IonicContact NH2-OE1 2.75Å; R94-E386 PolarHBondContact NH2-OE1 3.48Å; R94-E386 IonicContact NH2-OE2 2.94Å; R94-E386 PolarHBondContact NH2-OE2 2.91Å
95	G	97.2	Very high	96.2	Very high	48 Å²	48	30.3 Å²	30.3	50%	0.495	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	6	174.6	0	0	0	0	0	116.2	G55 V91 S92 M93	G55-G95 WeakPolarHBondContact O-CA 2.94Å; V91-G95 PolarHBondContact O-N 2.84Å; S92-G95 CarbonylContact O-C 3.48Å; S92-G95 WeakPolarHBondContact O-CA 3.26Å; S92-G95 PolarHBondContact O-N 3.48Å; S92-G95 VanDerWaalsContact O-N 3.07Å; M93-G95 PolarHBondContact O-N 3.36Å
96	G	96.7	Very high	95.9	Very high	12 Å²	12	32.4 Å²	32.4	12%	0.124	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	5.9	178.1	0	0	0	0	0	116.1	Y54 S92 M93 R94 G98 S99	Y54-G96 VanDerWaalsContact CD1-CA 3.43Å; S92-G96 PolarHBondContact O-N 3.3Å; M93-G96 PolarHBondContact O-N 3.46Å; R94-G96 VanDerWaalsContact C-N 3.28Å; R94-G96 PolarHBondContact O-N 3.19Å; G96-G98 PolarHBondContact O-N 3.02Å; G96-S99 WeakPolarHBondContact O-CB 3.19Å; G96-S99 PolarHBondContact O-N 3.48Å; G96-S99 VanDerWaalsContact O-N 3.15Å; G96-S99 PolarHBondContact O-OG 3.47Å
97	Y	97.3	Very high	95.6	Very high	75 Å²	75	33.3 Å²	33.3	29%	0.294	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	131.2	176.7	175.4	-101.5	0	0	0	112.1	I89 S92 S99 L308 L309	I89-Y97 HydrophobicContact CD1-CD1 3.78Å; I89-Y97 HydrophobicContact CD1-CE1 3.82Å; S92-Y97 WeakPolarHBondContact O-CB 3.42Å; S92-Y97 PolarHBondContact O-N 3.41Å; Y97-S99 PolarHBondContact O-N 3.43Å; Y97-L308 HydrophobicContact CD1-CD1 4.21Å; Y97-L308 HydrophobicContact CE1-CB 4.04Å; Y97-L308 HydrophobicContact CE1-CD1 3.51Å; Y97-L308 HydrophobicContact CE1-CG 4.4Å; Y97-L308 HydrophobicContact CE2-CB 4.02Å; Y97-L309 HydrophobicContact CE2-CB 4.23Å
98	G	96	Very high	95.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	5.2	-175.1	0	0	0	0	0	114.6	G96 A100 T101 M102 D312	G96-G98 PolarHBondContact O-N 3.02Å; G98-A100 VanDerWaalsContact C-N 3.27Å; G98-A100 PolarHBondContact O-N 3.22Å; G98-T101 PolarHBondContact O-N 3.11Å; G98-T101 VanDerWaalsContact O-N 3.11Å; G98-M102 VanDerWaalsContact O-CG 3.3Å; G98-M102 WeakPolarHBondContact O-CG 3.35Å; G98-M102 PolarHBondContact O-N 2.91Å; G98-D312 VanDerWaalsContact C-OD1 3.26Å; G98-D312 VanDerWaalsContact CA-OD1 3.28Å; G98-D312 WeakPolarHBondContact CA-OD1 3.27Å; G98-D312 WeakPolarHBondContact CA-OD2 3.39Å; G98-D312 PolarHBondContact N-OD1 3.39Å; G98-D312 PolarHBondContact N-OD2 2.92Å
99	S	95.1	Very high	94.6	Very high	34 Å²	34	40.1 Å²	40.1	24%	0.238	24%	0.235	C	C	.	.	H	α-helix	trans	-52.9	-41.6	-173.8	51.5	0	0	0	0	112.7	G96 Y97 M102 A103 D312	G96-S99 WeakPolarHBondContact O-CB 3.19Å; G96-S99 PolarHBondContact O-N 3.48Å; G96-S99 VanDerWaalsContact O-N 3.15Å; G96-S99 PolarHBondContact O-OG 3.47Å; Y97-S99 PolarHBondContact O-N 3.43Å; S99-M102 PolarHBondContact O-N 3.28Å; S99-A103 VanDerWaalsContact O-CB 3.3Å; S99-A103 WeakPolarHBondContact O-CB 3.3Å; S99-A103 PolarHBondContact O-N 3.44Å; S99-D312 PolarHBondContact N-OD1 3.2Å
100	A	93	Very high	94.1	Very high	31 Å²	31	45.6 Å²	45.6	26%	0.256	26%	0.264	S	S	.	.	H	α-helix	trans	-60.5	-51.8	177.4	0	0	0	0	0	112	G98 M102 A103 M104 D312 I316	G98-A100 VanDerWaalsContact C-N 3.27Å; G98-A100 PolarHBondContact O-N 3.22Å; A100-M102 PolarHBondContact O-N 3.42Å; A100-A103 PolarHBondContact O-N 3.01Å; A100-M104 PolarHBondContact O-N 3.2Å; A100-D312 PolarHBondContact N-OD1 3.09Å; A100-I316 HydrophobicContact CB-CD1 4.14Å
101	T	93.7	Very high	93.6	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.043	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-37.3	178.7	-74	0	0	0	0	112.2	G98 K105 F307 L308 T311	G98-T101 PolarHBondContact O-N 3.11Å; G98-T101 VanDerWaalsContact O-N 3.11Å; T101-K105 WeakPolarHBondContact O-CG 3.26Å; T101-K105 PolarHBondContact O-N 2.97Å; T101-K105 VanDerWaalsContact O-N 3.09Å; T101-F307 HydrophobicContact CG2-CE1 4.14Å; T101-F307 HydrophobicContact CG2-CZ 4.32Å; T101-L308 HydrophobicContact CG2-CD2 3.65Å; T101-T311 WeakPolarHBondContact OG1-CB 3.41Å; T101-T311 WeakPolarHBondContact OG1-CG2 3.25Å; T101-T311 PolarHBondContact OG1-OG1 3.3Å
102	M	94.7	Very high	92.8	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.059	32%	0.316	C	S	.	.	H	α-helix	trans	-70.8	-36.7	178.4	-61.8	-53.7	162.9	0	0	112	G98 S99 A100 K105 R106 P152 W153 L308	G98-M102 VanDerWaalsContact O-CG 3.3Å; G98-M102 WeakPolarHBondContact O-CG 3.35Å; G98-M102 PolarHBondContact O-N 2.91Å; S99-M102 PolarHBondContact O-N 3.28Å; A100-M102 PolarHBondContact O-N 3.42Å; M102-K105 PolarHBondContact O-N 2.98Å; M102-R106 WeakPolarHBondContact O-CB 3.38Å; M102-R106 VanDerWaalsContact O-CG 3.29Å; M102-R106 WeakPolarHBondContact O-CG 3.39Å; M102-R106 PolarHBondContact O-N 2.92Å; M102-P152 HydrophobicContact CE-CB 3.69Å; M102-P152 HydrophobicContact CE-CG 3.47Å; M102-P152 VanDerWaalsContact CE-CG 3.47Å; M102-P152 HydrophobicContact SD-CB 3.86Å; M102-P152 HydrophobicContact SD-CG 3.79Å; M102-W153 HydrophobicContact SD-CB 4.18Å; M102-W153 HydrophobicContact SD-CE3 4.37Å; M102-L308 HydrophobicContact CE-CD1 4.15Å; M102-L308 HydrophobicContact CE-CD2 4.16Å
103	A	92.6	Very high	91.9	Very high	39 Å²	39	62.4 Å²	62.4	32%	0.322	34%	0.337	S	S	.	.	H	α-helix	trans	-60.5	-49.8	173.3	0	0	0	0	0	111	S99 A100 K105 R106 D107	S99-A103 VanDerWaalsContact O-CB 3.3Å; S99-A103 WeakPolarHBondContact O-CB 3.3Å; S99-A103 PolarHBondContact O-N 3.44Å; A100-A103 PolarHBondContact O-N 3.01Å; A103-K105 PolarHBondContact O-N 2.76Å; A103-R106 PolarHBondContact O-N 3.28Å; A103-D107 PolarHBondContact O-N 3.45Å
104	M	92.7	Very high	90.9	Very high	71 Å²	71	69.5 Å²	69.5	35%	0.35	38%	0.382	S	S	.	.	H	α-helix	trans	-57.1	-33.4	174.3	-172.5	-162.1	71.8	0	0	112.8	A100 D107 P108 I316 M320	A100-M104 PolarHBondContact O-N 3.2Å; M104-D107 CarbonylContact O-C 3.48Å; M104-P108 WeakPolarHBondContact O-CA 3.4Å; M104-I316 HydrophobicContact CB-CD1 4.33Å; M104-I316 HydrophobicContact SD-CD1 4.2Å; M104-I316 HydrophobicContact SD-CG1 4.44Å; M104-I316 HydrophobicContact SD-CG2 3.83Å; M104-M320 HydrophobicContact CE-CE 3.98Å; M104-M320 HydrophobicContact SD-CE 4.2Å
105	K	92.9	Very high	90	Very high	106 Å²	106	70.6 Å²	70.6	46%	0.461	40%	0.395	S	S	.	.	H	α-helix	trans	-77	-31.4	175.2	-72.7	-70	-175.4	-179.3	0	113.8	T101 M102 A103 W153	T101-K105 WeakPolarHBondContact O-CG 3.26Å; T101-K105 PolarHBondContact O-N 2.97Å; T101-K105 VanDerWaalsContact O-N 3.09Å; M102-K105 PolarHBondContact O-N 2.98Å; A103-K105 PolarHBondContact O-N 2.76Å; K105-W153 HydrophobicContact CB-CB 3.67Å; K105-W153 HydrophobicContact CB-CD2 4.2Å; K105-W153 HydrophobicContact CB-CG 3.86Å; K105-W153 HydrophobicContact CG-CE3 4.43Å
106	R	92.6	Very high	89.5	Confident	44 Å²	44	71.5 Å²	71.5	17%	0.166	39%	0.393	C	S	.	.	H	α-helix	trans	-76.9	-23.6	176.9	-75.4	170.9	-169	139.7	4.8	113.5	M102 A103 K112 E117 P152 W153	M102-R106 WeakPolarHBondContact O-CB 3.38Å; M102-R106 VanDerWaalsContact O-CG 3.29Å; M102-R106 WeakPolarHBondContact O-CG 3.39Å; M102-R106 PolarHBondContact O-N 2.92Å; A103-R106 PolarHBondContact O-N 3.28Å; R106-K112 PolarHBondContact O-NZ 3.4Å; R106-K112 VanDerWaalsContact O-NZ 3.08Å; R106-E117 VanDerWaalsContact NH1-CB 3.34Å; R106-P152 PolarHBondContact NH2-O 3.46Å; R106-W153 HydrophobicContact CG-CB 4.17Å; R106-W153 WeakPolarHBondContact CG-O 3.33Å; R106-W153 PolarHBondContact NE-O 3.43Å
107	D	91.4	Very high	89.3	Confident	23 Å²	23	72.2 Å²	72.2	12%	0.123	39%	0.393	C	S	.	.			trans	-145.9	77.3	177.9	-173.9	20.1	0	0	0	112.1	A103 M104 L109 N110 I111 K112	A103-D107 PolarHBondContact O-N 3.45Å; M104-D107 CarbonylContact O-C 3.48Å; D107-L109 PolarHBondContact O-N 3.05Å; D107-N110 PolarHBondContact O-N 3.04Å; D107-N110 VanDerWaalsContact O-N 3.11Å; D107-N110 PolarHBondContact OD1-N 3.16Å; D107-N110 VanDerWaalsContact OD2-CA 3.25Å; D107-N110 WeakPolarHBondContact OD2-CA 3.48Å; D107-N110 PolarHBondContact OD2-N 3.42Å; D107-I111 PolarHBondContact OD1-N 3.33Å; D107-I111 PolarHBondContact OD2-N 3.35Å; D107-K112 HydrophobicContact CB-CD 4.12Å; D107-K112 HydrophobicContact CB-CG 4.35Å; D107-K112 WeakPolarHBondContact OD2-CB 3.29Å; D107-K112 PolarHBondContact OD2-N 3.06Å
108	P	86.8	Confident	89.3	Confident	105 Å²	105	71.2 Å²	71.2	68%	0.682	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.4	-179.7	-22.8	35	0	0	0	114.7	M104	M104-P108 WeakPolarHBondContact O-CA 3.4Å
109	L	87.9	Confident	89.3	Confident	135 Å²	135	74.2 Å²	74.2	71%	0.707	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-6.5	179.7	-59.9	178.6	0	0	0	112.8	D107 I111	D107-L109 PolarHBondContact O-N 3.05Å; L109-I111 VanDerWaalsContact C-N 3.34Å; L109-I111 HydrophobicContact CB-CD1 3.56Å; L109-I111 HydrophobicContact CB-CG1 3.73Å; L109-I111 HydrophobicContact CD1-CD1 3.79Å; L109-I111 HydrophobicContact CG-CD1 4.33Å; L109-I111 PolarHBondContact O-N 3.34Å
110	N	85.2	Confident	89.5	Confident	141 Å²	141	72.7 Å²	72.7	75%	0.754	40%	0.399	S	S	*	.			trans	51.5	48.8	-179.1	-164.3	83.8	0	0	0	113	D107	D107-N110 PolarHBondContact O-N 3.04Å; D107-N110 VanDerWaalsContact O-N 3.11Å; D107-N110 PolarHBondContact OD1-N 3.16Å; D107-N110 VanDerWaalsContact OD2-CA 3.25Å; D107-N110 WeakPolarHBondContact OD2-CA 3.48Å; D107-N110 PolarHBondContact OD2-N 3.42Å
111	I	87.4	Confident	89.7	Confident	132 Å²	132	71.8 Å²	71.8	68%	0.677	39%	0.39	S	S	*	.			trans	-97.7	-28.2	-179.8	-62	173.2	0	0	0	111.5	D107 L109	D107-I111 PolarHBondContact OD1-N 3.33Å; D107-I111 PolarHBondContact OD2-N 3.35Å; L109-I111 VanDerWaalsContact C-N 3.34Å; L109-I111 HydrophobicContact CB-CD1 3.56Å; L109-I111 HydrophobicContact CB-CG1 3.73Å; L109-I111 HydrophobicContact CD1-CD1 3.79Å; L109-I111 HydrophobicContact CG-CD1 4.33Å; L109-I111 PolarHBondContact O-N 3.34Å
112	K	82.2	Confident	90	Very high	116 Å²	116	71.6 Å²	71.6	50%	0.504	39%	0.389	S	S	.	.	S	Bend	trans	-83.8	156.4	-178.6	-57.5	178.5	-173.6	163.2	0	111	R106 D107 S116	R106-K112 PolarHBondContact O-NZ 3.4Å; R106-K112 VanDerWaalsContact O-NZ 3.08Å; D107-K112 HydrophobicContact CB-CD 4.12Å; D107-K112 HydrophobicContact CB-CG 4.35Å; D107-K112 WeakPolarHBondContact OD2-CB 3.29Å; D107-K112 PolarHBondContact OD2-N 3.06Å; K112-S116 VanDerWaalsContact CB-OG 3.28Å; K112-S116 WeakPolarHBondContact CB-OG 3.47Å
113	Q	78	Confident	90.1	Very high	169 Å²	169	71 Å²	71	79%	0.79	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-76.8	155.4	174.9	-62.5	-179.9	8.1	0	0	111.4	S116	Q113-S116 WeakPolarHBondContact O-CB 3.48Å; Q113-S116 PolarHBondContact O-N 3.07Å; Q113-S116 VanDerWaalsContact O-N 3.17Å; Q113-S116 PolarHBondContact O-OG 3.05Å
114	T	77.4	Confident	90.4	Very high	154 Å²	154	69.1 Å²	69.1	95%	0.945	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	135.3	171.1	-46.3	0	0	0	0	110.7	S116	T114-S116 VanDerWaalsContact C-N 3.35Å
115	G	79.8	Confident	90.7	Very high	29 Å²	29	65.8 Å²	65.8	30%	0.299	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	1.8	-176.5	0	0	0	0	0	114.5	E117 F118	G115-E117 WeakPolarHBondContact CA-OE2 3.5Å; G115-E117 PolarHBondContact N-OE2 3.33Å; G115-E117 PolarHBondContact O-N 2.93Å; G115-E117 VanDerWaalsContact O-N 3.12Å; G115-F118 WeakPolarHBondContact O-CD2 3.41Å; G115-F118 PolarHBondContact O-N 2.85Å
116	S	86.4	Confident	91	Very high	66 Å²	66	60.8 Å²	60.8	46%	0.462	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-2.3	176.8	57.9	0	0	0	0	115	K112 Q113 T114 F118	K112-S116 VanDerWaalsContact CB-OG 3.28Å; K112-S116 WeakPolarHBondContact CB-OG 3.47Å; Q113-S116 WeakPolarHBondContact O-CB 3.48Å; Q113-S116 PolarHBondContact O-N 3.07Å; Q113-S116 VanDerWaalsContact O-N 3.17Å; Q113-S116 PolarHBondContact O-OG 3.05Å; T114-S116 VanDerWaalsContact C-N 3.35Å; S116-F118 VanDerWaalsContact C-N 3.31Å
117	E	92.4	Very high	91.3	Very high	28 Å²	28	58.7 Å²	58.7	13%	0.131	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-18	165.3	68.3	-96	-121.9	0	0	113.9	Y54 R106 G115 P119 L120	Y54-E117 PolarHBondContact OH-OE1 3.2Å; R106-E117 VanDerWaalsContact NH1-CB 3.34Å; G115-E117 WeakPolarHBondContact CA-OE2 3.5Å; G115-E117 PolarHBondContact N-OE2 3.33Å; G115-E117 PolarHBondContact O-N 2.93Å; G115-E117 VanDerWaalsContact O-N 3.12Å; E117-P119 CarbonylContact O-C 3.25Å; E117-L120 WeakPolarHBondContact O-CA 3.48Å; E117-L120 WeakPolarHBondContact O-CB 3.27Å; E117-L120 PolarHBondContact O-N 3.48Å
118	F	96.1	Very high	91.6	Very high	53 Å²	53	57.6 Å²	57.6	23%	0.232	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-91.5	143.3	-177	-60	-59	0	0	0	112	I51 D52 Y54 G115 S116 L120	I51-F118 HydrophobicContact CD1-CE1 4.14Å; I51-F118 HydrophobicContact CG1-CD1 4.27Å; I51-F118 HydrophobicContact CG1-CE1 3.95Å; I51-F118 WeakPolarHBondContact O-CD1 3.37Å; D52-F118 WeakPolarHBondContact O-CD2 3.42Å; D52-F118 VanDerWaalsContact O-CG 3.32Å; D52-F118 WeakPolarHBondContact O-CG 3.31Å; Y54-F118 HydrophobicContact CD1-CE1 4.33Å; Y54-F118 HydrophobicContact CD1-CZ 4.06Å; Y54-F118 HydrophobicContact CD2-CE2 4.45Å; Y54-F118 AromaticContact CD2-CZ 3.74Å; Y54-F118 HydrophobicContact CD2-CZ 3.74Å; Y54-F118 HydrophobicContact CE1-CE1 4.13Å; Y54-F118 AromaticContact CE1-CZ 3.92Å; Y54-F118 HydrophobicContact CE1-CZ 3.92Å; Y54-F118 HydrophobicContact CE2-CE2 4.16Å; Y54-F118 AromaticContact CE2-CZ 3.55Å; Y54-F118 HydrophobicContact CE2-CZ 3.55Å; Y54-F118 AromaticContact CG-CZ 3.98Å; Y54-F118 HydrophobicContact CG-CZ 3.98Å; Y54-F118 AromaticContact CZ-CZ 3.65Å; G115-F118 WeakPolarHBondContact O-CD2 3.41Å; G115-F118 PolarHBondContact O-N 2.85Å; S116-F118 VanDerWaalsContact C-N 3.31Å; F118-L120 HydrophobicContact CD1-CB 3.92Å; F118-L120 HydrophobicContact CE1-CB 4.27Å
119	P	97.2	Very high	92.2	Very high	64 Å²	64	53.8 Å²	53.8	42%	0.416	29%	0.293	S	S	.	.	S	Bend	cis	-70.4	127.5	-3.4	28.4	-34.8	0	0	0	112.7	V50 I51 E117 Q155	V50-P119 HydrophobicContact CB-CB 3.91Å; V50-P119 HydrophobicContact CG1-CB 4.02Å; V50-P119 HydrophobicContact CG2-CB 4.14Å; I51-P119 WeakPolarHBondContact O-CA 3.31Å; E117-P119 CarbonylContact O-C 3.25Å; P119-Q155 PolarHBondContact O-NE2 2.85Å
120	L	98.1	Very high	92.7	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.4	-174.7	-179.9	68.4	0	0	0	110.6	V50 I51 Y54 E117 F118 L122	V50-L120 CarbonylContact C-O 3.09Å; V50-L120 VanDerWaalsContact CA-O 3.32Å; V50-L120 WeakPolarHBondContact CA-O 3.28Å; I51-L120 HydrophobicContact CD1-CD2 4.16Å; I51-L120 HydrophobicContact CG1-CB 3.89Å; I51-L120 HydrophobicContact CG1-CD2 4.4Å; I51-L120 PolarHBondContact N-O 2.82Å; I51-L120 PolarHBondContact O-N 3Å; Y54-L120 HydrophobicContact CE1-CD2 4.39Å; E117-L120 WeakPolarHBondContact O-CA 3.48Å; E117-L120 WeakPolarHBondContact O-CB 3.27Å; E117-L120 PolarHBondContact O-N 3.48Å; F118-L120 HydrophobicContact CD1-CB 3.92Å; F118-L120 HydrophobicContact CE1-CB 4.27Å; L120-L122 HydrophobicContact CD2-CD2 4.25Å
121	I	98.6	Very high	93.2	Very high	11 Å²	11	44.7 Å²	44.7	6%	0.056	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.3	175.6	-59.5	165.9	0	0	0	109.1	M46 A48 V50 R124 G156 L158 A159	M46-I121 HydrophobicContact CE-CD1 4.09Å; A48-I121 HydrophobicContact CB-CD1 4.23Å; A48-I121 HydrophobicContact CB-CG1 4.39Å; V50-I121 HydrophobicContact CG1-CG1 3.77Å; I121-R124 PolarHBondContact O-NH2 2.91Å; I121-R124 VanDerWaalsContact O-NH2 3.07Å; I121-G156 WeakPolarHBondContact CG2-O 3.33Å; I121-G156 WeakPolarHBondContact O-CA 3.4Å; I121-G156 PolarHBondContact O-N 3.27Å; I121-L158 HydrophobicContact CG2-CB 4.35Å; I121-A159 HydrophobicContact CD1-CB 4.13Å; I121-A159 HydrophobicContact CG2-CB 4.15Å
122	L	98.6	Very high	93.7	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	23%	0.234	C	C	.	.			trans	-91.3	-178.7	176.6	-61.7	175.4	0	0	0	111.6	I51 L60 M93 R94 L120 G156 S157 L158	I51-L122 HydrophobicContact CG2-CD1 4.26Å; L60-L122 HydrophobicContact CD2-CD1 4.47Å; M93-L122 HydrophobicContact CB-CD2 4.01Å; M93-L122 HydrophobicContact CE-CD2 4.24Å; R94-L122 HydrophobicContact CB-CD1 3.82Å; R94-L122 HydrophobicContact CG-CD1 4.22Å; L120-L122 HydrophobicContact CD2-CD2 4.25Å; L122-G156 CarbonylContact O-C 3.53Å; L122-G156 WeakPolarHBondContact O-CA 3.33Å; L122-S157 PolarHBondContact O-N 3.18Å; L122-L158 HydrophobicContact CB-CD1 4.05Å; L122-L158 WeakPolarHBondContact O-CB 3.34Å; L122-L158 WeakPolarHBondContact O-CG 3.17Å; L122-L158 PolarHBondContact O-N 3.48Å
123	G	98.3	Very high	94.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.221	C	C	.	.			trans	95.2	118.6	-174.1	0	0	0	0	0	112.2	D90 G156 S157	D90-G123 VanDerWaalsContact OD1-CA 3.29Å; D90-G123 WeakPolarHBondContact OD1-CA 3.4Å; D90-G123 PolarHBondContact OD1-N 2.86Å; G123-G156 CarbonylContact O-C 3.52Å; G123-G156 WeakPolarHBondContact O-CA 3.37Å; G123-S157 VanDerWaalsContact C-OG 3.23Å; G123-S157 WeakPolarHBondContact CA-OG 3.39Å; G123-S157 PolarHBondContact O-N 3.48Å; G123-S157 PolarHBondContact O-OG 2.95Å
124	R	98.5	Very high	95.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.187	C	C	.	.			trans	-109.5	-12.4	-178	-51.3	-68.8	77.1	90.8	-26	114.5	I89 D90 I121 A149 I150 Y186	I89-R124 HydrophobicContact CG2-CG 3.89Å; D90-R124 WeakPolarHBondContact OD1-CG 3.49Å; D90-R124 IonicContact OD1-CZ 3.95Å; D90-R124 IonicContact OD1-NH1 2.97Å; D90-R124 PolarHBondContact OD1-NH1 2.97Å; I121-R124 PolarHBondContact O-NH2 2.91Å; I121-R124 VanDerWaalsContact O-NH2 3.07Å; R124-A149 CarbonylContact O-C 3.34Å; R124-A149 WeakPolarHBondContact O-CA 3.34Å; R124-I150 PolarHBondContact O-N 2.88Å; R124-Y186 HydrophobicContact CB-CD2 3.47Å; R124-Y186 VanDerWaalsContact CB-CD2 3.47Å; R124-Y186 HydrophobicContact CB-CE2 3.81Å; R124-Y186 HydrophobicContact CB-CG 4.05Å; R124-Y186 HydrophobicContact CG-CD2 4.24Å; R124-Y186 HydrophobicContact CG-CE2 4.08Å
125	D	98.6	Very high	96.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	141.6	172.4	-72.9	-68.2	0	0	0	110	A84 N87 S157 A182 P185 Y186 K393	A84-D125 WeakPolarHBondContact CA-O 3.32Å; A84-D125 WeakPolarHBondContact CB-O 3.38Å; N87-D125 PolarHBondContact ND2-OD2 3.28Å; D125-S157 VanDerWaalsContact O-CB 3.24Å; D125-S157 WeakPolarHBondContact O-CB 3.17Å; D125-S157 PolarHBondContact O-OG 2.8Å; D125-A182 WeakPolarHBondContact CB-O 3.46Å; D125-P185 WeakPolarHBondContact OD1-CD 3.25Å; D125-Y186 VanDerWaalsContact OD1-CB 3.22Å; D125-Y186 WeakPolarHBondContact OD1-CB 3.49Å; D125-Y186 PolarHBondContact OD1-N 3.05Å; D125-K393 IonicContact OD2-NZ 2.7Å; D125-K393 PolarHBondContact OD2-NZ 3.44Å
126	V	98.7	Very high	97.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.6	171.5	51.6	0	0	0	0	110.5	V79 V81 W147 A148 I150 V162 L164	V79-V126 HydrophobicContact CG1-CG2 4.24Å; V81-V126 HydrophobicContact CB-CG2 4.45Å; V81-V126 HydrophobicContact CG1-CG2 4.06Å; V81-V126 HydrophobicContact CG2-CG2 3.95Å; V126-W147 WeakPolarHBondContact O-CA 3.18Å; V126-W147 WeakPolarHBondContact O-CB 3.35Å; V126-A148 HydrophobicContact CG1-CB 3.65Å; V126-A148 WeakPolarHBondContact CG1-O 3.27Å; V126-A148 PolarHBondContact N-O 3.28Å; V126-A148 VanDerWaalsContact N-O 3.09Å; V126-A148 PolarHBondContact O-N 3.17Å; V126-I150 HydrophobicContact CB-CD1 4.33Å; V126-I150 HydrophobicContact CG1-CD1 3.98Å; V126-I150 HydrophobicContact CG1-CG1 3.99Å; V126-V162 HydrophobicContact CG2-CG1 4.18Å; V126-L164 HydrophobicContact CG1-CD1 3.89Å
127	S	98.8	Very high	97.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.3	154.9	-169.1	0	0	0	0	110.2	F82 A83 V146 K172 H178	F82-S127 PolarHBondContact N-O 2.69Å; A83-S127 PolarHBondContact N-O 2.73Å; A83-S127 VanDerWaalsContact N-O 3.07Å; A83-S127 PolarHBondContact O-N 3.48Å; S127-V146 WeakPolarHBondContact CA-O 3.13Å; S127-V146 PolarHBondContact OG-O 2.95Å; S127-K172 WeakPolarHBondContact OG-CD 3.36Å; S127-H178 PolarHBondContact OG-ND1 3.15Å
128	G	98.6	Very high	97.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-159.2	-171.2	0	0	0	0	0	112.9	K80 V146 H178	K80-G128 WeakPolarHBondContact O-CA 3.38Å; G128-V146 PolarHBondContact N-O 2.77Å; G128-V146 PolarHBondContact O-N 2.97Å; G128-H178 PolarHBondContact N-ND1 3.18Å; G128-H178 PolarHBondContact O-CE1 2.86Å; G128-H178 VanDerWaalsContact O-CE1 3.31Å
129	V	98.6	Very high	97.9	Very high	26 Å²	26	45 Å²	45	16%	0.158	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.1	-172.9	177.1	0	0	0	0	110.2	V79 K80 F82 M131 E145	V79-V129 WeakPolarHBondContact CA-O 3.17Å; K80-V129 PolarHBondContact N-O 3.09Å; K80-V129 PolarHBondContact O-N 2.86Å; F82-V129 HydrophobicContact CD2-CG2 4.38Å; F82-V129 HydrophobicContact CE1-CG2 4.23Å; F82-V129 HydrophobicContact CE2-CB 3.95Å; F82-V129 HydrophobicContact CE2-CG2 3.64Å; F82-V129 HydrophobicContact CZ-CB 4.25Å; F82-V129 HydrophobicContact CZ-CG2 3.56Å; V129-M131 PolarHBondContact O-N 2.78Å; V129-E145 HydrophobicContact CG2-CG 4.31Å
130	I	98.5	Very high	97.9	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.4	176.7	-64	-178.9	0	0	0	110.5	V77 V79 F140 R141 R143 D144 V146 I169	V77-I130 HydrophobicContact CB-CG2 4.47Å; V77-I130 HydrophobicContact CG1-CD1 4.43Å; V79-I130 HydrophobicContact CG2-CG1 4.32Å; I130-F140 HydrophobicContact CD1-CB 3.56Å; I130-F140 HydrophobicContact CD1-CD1 4.2Å; I130-F140 HydrophobicContact CD1-CG 4.14Å; I130-R141 WeakPolarHBondContact CB-O 2.94Å; I130-R143 PolarHBondContact O-N 3.43Å; I130-D144 HydrophobicContact CD1-CB 4.39Å; I130-D144 PolarHBondContact N-O 3.25Å; I130-V146 HydrophobicContact CD1-CG1 3.77Å; I130-V146 HydrophobicContact CD1-CG2 4.47Å; I130-V146 HydrophobicContact CG1-CG1 3.93Å; I130-V146 HydrophobicContact CG1-CG2 3.8Å; I130-I169 HydrophobicContact CD1-CD1 4.22Å
131	M	97.4	Very high	97.9	Very high	83 Å²	83	51.5 Å²	51.5	41%	0.409	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-36.4	176.9	-68.9	-61.9	-49	0	0	113	I78 K80 V129 F161	I78-M131 HydrophobicContact CG2-CB 4.31Å; I78-M131 PolarHBondContact O-N 2.9Å; K80-M131 HydrophobicContact CB-CG 3.67Å; K80-M131 HydrophobicContact CB-SD 3.92Å; K80-M131 HydrophobicContact CD-SD 4.34Å; V129-M131 PolarHBondContact O-N 2.78Å; M131-F161 HydrophobicContact CG-CD1 4.05Å; M131-F161 HydrophobicContact CG-CE1 3.86Å; M131-F161 HydrophobicContact SD-CE1 4.37Å
132	E	97.3	Very high	97.8	Very high	100 Å²	100	56.7 Å²	56.7	47%	0.467	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	147.5	-176.4	-168	173.3	177.1	0	0	109.9	I71 V77 I78	I71-E132 HydrophobicContact CD1-CB 4.23Å; I71-E132 HydrophobicContact CD1-CG 3.88Å; V77-E132 WeakPolarHBondContact CA-O 3.3Å; I78-E132 HydrophobicContact CB-CB 4.36Å; I78-E132 HydrophobicContact CD1-CB 4.46Å; I78-E132 PolarHBondContact N-O 3.04Å; I78-E132 PolarHBondContact O-N 2.9Å
133	C	98.1	Very high	97.8	Very high	36 Å²	36	66.6 Å²	66.6	24%	0.243	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.3	179.1	-69.2	0	0	0	0	111.2	V77 V137	V77-C133 HydrophobicContact CG1-CB 4.43Å; C133-V137 HydrophobicContact CB-CB 4.04Å; C133-V137 HydrophobicContact CB-CG1 4.29Å; C133-V137 HydrophobicContact CB-CG2 4.34Å
134	G	97.8	Very high	97.8	Very high	8 Å²	8	67.5 Å²	67.5	8%	0.082	31%	0.307	C	S	.	.			trans	-67.8	159.8	166.5	0	0	0	0	0	112	P74 E76 D136 V137	P74-G134 CarbonylContact O-C 3.45Å; P74-G134 WeakPolarHBondContact O-CA 3.26Å; E76-G134 PolarHBondContact O-N 3.18Å; G134-D136 PolarHBondContact O-N 2.67Å; G134-D136 VanDerWaalsContact O-N 3.13Å; G134-V137 WeakPolarHBondContact O-CB 3.47Å; G134-V137 WeakPolarHBondContact O-CG2 3.12Å; G134-V137 PolarHBondContact O-N 2.89Å; G134-V137 VanDerWaalsContact O-N 3.1Å
135	L	97.4	Very high	97.8	Very high	152 Å²	152	71.6 Å²	71.6	80%	0.796	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.6	-170.4	-59.2	177.5	0	0	0	114.6	P74 K138	P74-L135 PolarHBondContact O-N 3.48Å; L135-K138 PolarHBondContact O-NZ 2.7Å
136	D	97.9	Very high	97.8	Very high	97 Å²	97	71.8 Å²	71.8	52%	0.519	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-4.8	-179.9	-69.8	-25.9	0	0	0	113.7	P74 G134 K138	P74-D136 HydrophobicContact CB-CB 4.06Å; P74-D136 WeakPolarHBondContact CB-OD2 3.4Å; P74-D136 HydrophobicContact CG-CB 4.44Å; P74-D136 WeakPolarHBondContact CG-OD2 3.5Å; P74-D136 WeakPolarHBondContact O-CA 3.34Å; P74-D136 WeakPolarHBondContact O-CB 3.49Å; P74-D136 PolarHBondContact O-N 3.2Å; G134-D136 PolarHBondContact O-N 2.67Å; G134-D136 VanDerWaalsContact O-N 3.13Å; D136-K138 WeakPolarHBondContact O-CE 3.33Å; D136-K138 WeakPolarHBondContact O-CG 3.43Å; D136-K138 PolarHBondContact O-N 3.38Å
137	V	97.9	Very high	97.8	Very high	17 Å²	17	71.8 Å²	71.8	10%	0.103	33%	0.326	C	S	.	.			trans	-71.4	118.8	172.4	-174.4	0	0	0	0	109.4	E76 V77 C133 G134 F140 A166	E76-V137 WeakPolarHBondContact O-CG2 3.41Å; V77-V137 HydrophobicContact CG1-CB 4.48Å; V77-V137 HydrophobicContact CG1-CG1 3.92Å; V77-V137 HydrophobicContact CG1-CG2 3.88Å; C133-V137 HydrophobicContact CB-CB 4.04Å; C133-V137 HydrophobicContact CB-CG1 4.29Å; C133-V137 HydrophobicContact CB-CG2 4.34Å; G134-V137 WeakPolarHBondContact O-CB 3.47Å; G134-V137 WeakPolarHBondContact O-CG2 3.12Å; G134-V137 PolarHBondContact O-N 2.89Å; G134-V137 VanDerWaalsContact O-N 3.1Å; V137-F140 HydrophobicContact CG1-CB 3.85Å; V137-F140 HydrophobicContact CG1-CD2 4.28Å; V137-A166 HydrophobicContact CG1-CB 4.21Å; V137-A166 HydrophobicContact CG2-CB 4.12Å
138	K	94.9	Very high	97.8	Very high	142 Å²	142	71.8 Å²	71.8	62%	0.617	33%	0.327	S	S	*	.			trans	-113.5	-33.6	-176	-50.7	-52.2	174.5	-166.8	0	114.8	L135 D136	L135-K138 PolarHBondContact O-NZ 2.7Å; D136-K138 WeakPolarHBondContact O-CE 3.33Å; D136-K138 WeakPolarHBondContact O-CG 3.43Å; D136-K138 PolarHBondContact O-N 3.38Å
139	Y	95.5	Very high	97.8	Very high	202 Å²	202	71.9 Å²	71.9	79%	0.792	33%	0.327	S	S	*	.	S	Bend	trans	-90.3	-10.4	-174.3	-57.5	-66.8	0	0	0	113.8
140	F	98.1	Very high	97.7	Very high	22 Å²	22	70.6 Å²	70.6	10%	0.096	32%	0.32	C	S	.	.			trans	-128	150	-177.2	-57.5	-79	0	0	0	110.8	I130 V137 V146 A166 I169 H171	I130-F140 HydrophobicContact CD1-CB 3.56Å; I130-F140 HydrophobicContact CD1-CD1 4.2Å; I130-F140 HydrophobicContact CD1-CG 4.14Å; V137-F140 HydrophobicContact CG1-CB 3.85Å; V137-F140 HydrophobicContact CG1-CD2 4.28Å; F140-V146 HydrophobicContact CD1-CG1 4.12Å; F140-V146 HydrophobicContact CE1-CG1 4.28Å; F140-A166 HydrophobicContact CD2-CB 4.45Å; F140-A166 WeakPolarHBondContact CE2-O 3.44Å; F140-I169 HydrophobicContact CB-CD1 4.46Å; F140-I169 HydrophobicContact CD1-CD1 4.08Å; F140-I169 HydrophobicContact CD1-CG1 4.49Å; F140-I169 HydrophobicContact CD2-CD1 3.62Å; F140-I169 HydrophobicContact CD2-CG1 4Å; F140-I169 HydrophobicContact CE1-CD1 4.21Å; F140-I169 HydrophobicContact CE1-CG1 4.11Å; F140-I169 HydrophobicContact CE2-CD1 3.76Å; F140-I169 HydrophobicContact CE2-CG1 3.57Å; F140-I169 HydrophobicContact CG-CD1 3.79Å; F140-I169 HydrophobicContact CG-CG1 4.44Å; F140-I169 HydrophobicContact CZ-CD1 4.06Å; F140-I169 HydrophobicContact CZ-CG1 3.64Å; F140-H171 AromaticContact CD1-CE1 3.64Å; F140-H171 AromaticContact CD1-NE2 3.84Å; F140-H171 AromaticContact CE1-CD2 3.94Å; F140-H171 AromaticContact CE1-CE1 3.9Å; F140-H171 AromaticContact CE1-NE2 3.8Å
141	R	97.3	Very high	97.7	Very high	180 Å²	180	70.6 Å²	70.6	68%	0.679	32%	0.319	S	S	*	.			trans	-139.5	168.2	177.9	54.2	172	-179.6	-148.5	-3.1	110.8	I130 R143 D144	I130-R141 WeakPolarHBondContact CB-O 2.94Å; R141-R143 PolarHBondContact O-N 3.38Å; R141-D144 VanDerWaalsContact CG-CG 3.46Å; R141-D144 WeakPolarHBondContact CG-OD1 3.43Å; R141-D144 WeakPolarHBondContact CG-OD2 3.42Å; R141-D144 IonicContact CZ-OD1 2.64Å; R141-D144 PolarHBondContact N-OD2 2.84Å; R141-D144 IonicContact NE-OD1 3.69Å; R141-D144 PolarHBondContact NE-OD1 3.04Å; R141-D144 IonicContact NE-OD2 2.75Å; R141-D144 IonicContact NH2-OD1 2.8Å; R141-D144 PolarHBondContact O-N 3.48Å
142	E	97.5	Very high	97.6	Very high	120 Å²	120	67 Å²	67	56%	0.561	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	140.9	169.1	-60.4	178.9	-158.2	0	0	111.6	D144	E142-D144 VanDerWaalsContact C-N 3.27Å; E142-D144 PolarHBondContact O-N 2.81Å
143	R	97.2	Very high	97.5	Very high	211 Å²	211	66.6 Å²	66.6	80%	0.796	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	-1.1	-179.1	-47.2	177.4	-175.5	-173.2	-1.3	116.8	I130 R141 E145	I130-R143 PolarHBondContact O-N 3.43Å; R141-R143 PolarHBondContact O-N 3.38Å; R143-E145 PolarHBondContact O-N 2.97Å
144	D	98.4	Very high	97.4	Very high	20 Å²	20	66.8 Å²	66.8	11%	0.107	29%	0.294	C	S	.	.			trans	-67	134	170.4	-65.8	-23.8	0	0	0	110	I130 R141 E142 H171	I130-D144 HydrophobicContact CD1-CB 4.39Å; I130-D144 PolarHBondContact N-O 3.25Å; R141-D144 VanDerWaalsContact CG-CG 3.46Å; R141-D144 WeakPolarHBondContact CG-OD1 3.43Å; R141-D144 WeakPolarHBondContact CG-OD2 3.42Å; R141-D144 IonicContact CZ-OD1 2.64Å; R141-D144 PolarHBondContact N-OD2 2.84Å; R141-D144 IonicContact NE-OD1 3.69Å; R141-D144 PolarHBondContact NE-OD1 3.04Å; R141-D144 IonicContact NE-OD2 2.75Å; R141-D144 IonicContact NH2-OD1 2.8Å; R141-D144 PolarHBondContact O-N 3.48Å; E142-D144 VanDerWaalsContact C-N 3.27Å; E142-D144 PolarHBondContact O-N 2.81Å; D144-H171 IonicContact OD2-CE1 3.94Å
145	E	98.7	Very high	97.4	Very high	86 Å²	86	70.2 Å²	70.2	40%	0.402	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.9	169.4	-68.3	-171.4	179.3	0	0	110	V129 R143 K172 H178	V129-E145 HydrophobicContact CG2-CG 4.31Å; R143-E145 PolarHBondContact O-N 2.97Å; E145-K172 HydrophobicContact CB-CB 3.93Å; E145-K172 HydrophobicContact CB-CD 4.4Å; E145-K172 PolarHBondContact O-N 3.18Å; E145-K172 WeakPolarHBondContact OE2-CD 3.41Å; E145-K172 WeakPolarHBondContact OE2-CE 3.34Å; E145-K172 IonicContact OE2-NZ 3.91Å; E145-K172 PolarHBondContact OE2-NZ 3.47Å; E145-H178 IonicContact OE1-NE2 2.73Å
146	V	98.8	Very high	97.5	Very high	3 Å²	3	63 Å²	63	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	161.3	-176.7	-67.3	0	0	0	0	112.8	V79 S127 G128 I130 F140 S170	V79-V146 HydrophobicContact CG1-CG2 3.88Å; V79-V146 HydrophobicContact CG2-CG2 3.82Å; S127-V146 WeakPolarHBondContact CA-O 3.13Å; S127-V146 PolarHBondContact OG-O 2.95Å; G128-V146 PolarHBondContact N-O 2.77Å; G128-V146 PolarHBondContact O-N 2.97Å; I130-V146 HydrophobicContact CD1-CG1 3.77Å; I130-V146 HydrophobicContact CD1-CG2 4.47Å; I130-V146 HydrophobicContact CG1-CG1 3.93Å; I130-V146 HydrophobicContact CG1-CG2 3.8Å; F140-V146 HydrophobicContact CD1-CG1 4.12Å; F140-V146 HydrophobicContact CE1-CG1 4.28Å; V146-S170 VanDerWaalsContact CA-O 3.22Å; V146-S170 WeakPolarHBondContact CA-O 3.29Å; V146-S170 VanDerWaalsContact CB-O 3.27Å; V146-S170 WeakPolarHBondContact CB-O 3.45Å; V146-S170 WeakPolarHBondContact CG1-O 3.12Å
147	W	98.7	Very high	97.5	Very high	1 Å²	1	58.4 Å²	58.4	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.7	168.1	66.5	-12.6	0	0	0	110.4	V126 S170 H171 P173 A181 I184 P185 L353 I356 V360	V126-W147 WeakPolarHBondContact O-CA 3.18Å; V126-W147 WeakPolarHBondContact O-CB 3.35Å; W147-S170 PolarHBondContact N-O 2.82Å; W147-S170 PolarHBondContact NE1-OG 2.92Å; W147-S170 PolarHBondContact O-N 2.92Å; W147-H171 PolarHBondContact NE1-O 2.82Å; W147-H171 VanDerWaalsContact NE1-O 3.16Å; W147-P173 HydrophobicContact CD2-CG 4.42Å; W147-P173 HydrophobicContact CE3-CG 4.29Å; W147-P173 HydrophobicContact CH2-CG 3.36Å; W147-P173 HydrophobicContact CZ2-CG 3.51Å; W147-P173 HydrophobicContact CZ3-CG 3.76Å; W147-A181 HydrophobicContact CE3-CB 3.97Å; W147-I184 HydrophobicContact CE3-CB 4.32Å; W147-I184 HydrophobicContact CH2-CB 4.35Å; W147-I184 HydrophobicContact CH2-CD1 4.46Å; W147-I184 HydrophobicContact CH2-CG2 3.82Å; W147-I184 HydrophobicContact CZ3-CB 3.63Å; W147-I184 HydrophobicContact CZ3-CD1 3.9Å; W147-I184 HydrophobicContact CZ3-CG1 4.33Å; W147-I184 HydrophobicContact CZ3-CG2 3.62Å; W147-P185 HydrophobicContact CB-CG 4.05Å; W147-P185 HydrophobicContact CD2-CG 4.07Å; W147-P185 HydrophobicContact CE3-CG 3.88Å; W147-P185 HydrophobicContact CG-CG 4.18Å; W147-L353 HydrophobicContact CZ2-CD2 4.44Å; W147-L353 WeakPolarHBondContact CZ2-O 3.49Å; W147-I356 HydrophobicContact CH2-CG2 4.07Å; W147-I356 HydrophobicContact CZ2-CG2 4.34Å; W147-V360 HydrophobicContact CH2-CG2 4.25Å
148	A	98.6	Very high	97.5	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	159.9	-179.4	0	0	0	0	0	112.4	V126 L164 E168 I169 P185	V126-A148 HydrophobicContact CG1-CB 3.65Å; V126-A148 WeakPolarHBondContact CG1-O 3.27Å; V126-A148 PolarHBondContact N-O 3.28Å; V126-A148 VanDerWaalsContact N-O 3.09Å; V126-A148 PolarHBondContact O-N 3.17Å; A148-L164 HydrophobicContact CB-CD1 3.81Å; A148-E168 WeakPolarHBondContact CB-O 3.34Å; A148-I169 HydrophobicContact CB-CB 4.36Å; A148-I169 HydrophobicContact CB-CG2 3.94Å; A148-P185 VanDerWaalsContact C-CB 3.41Å; A148-P185 VanDerWaalsContact O-CB 3.27Å; A148-P185 WeakPolarHBondContact O-CB 3.35Å
149	A	98.3	Very high	97.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.8	167.2	0	0	0	0	0	109.7	R124 P185 Y186 T189 F346	R124-A149 CarbonylContact O-C 3.34Å; R124-A149 WeakPolarHBondContact O-CA 3.34Å; A149-P185 HydrophobicContact CB-CB 3.83Å; A149-Y186 HydrophobicContact CB-CD2 4.42Å; A149-T189 HydrophobicContact CB-CG2 4.43Å; A149-F346 HydrophobicContact CB-CE2 3.56Å; A149-F346 HydrophobicContact CB-CZ 3.9Å
150	I	98.2	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	18%	0.183	C	C	.	.			trans	-84.1	130	-169.6	-47.6	-172	0	0	0	110.2	R124 V126 K154 V162 L164	R124-I150 PolarHBondContact O-N 2.88Å; V126-I150 HydrophobicContact CB-CD1 4.33Å; V126-I150 HydrophobicContact CG1-CD1 3.98Å; V126-I150 HydrophobicContact CG1-CG1 3.99Å; I150-K154 HydrophobicContact CG2-CB 4.05Å; I150-V162 HydrophobicContact CD1-CG1 4.37Å; I150-V162 HydrophobicContact CD1-CG2 3.85Å; I150-L164 HydrophobicContact CB-CD2 4.36Å; I150-L164 HydrophobicContact CD1-CD2 3.93Å; I150-L164 HydrophobicContact CG1-CD2 3.73Å; I150-L164 HydrophobicContact CG2-CD2 4.07Å
151	P	97.1	Very high	97.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	18%	0.179	C	C	.	.			trans	-58.8	137.5	173.8	-15.9	24.2	0	0	0	112.5	W153 K154 E168 P348	P151-W153 HydrophobicContact CB-CD2 3.74Å; P151-W153 VanDerWaalsContact CB-CE2 3.45Å; P151-W153 HydrophobicContact CB-CE3 4.01Å; P151-W153 HydrophobicContact CB-CG 4.4Å; P151-W153 HydrophobicContact CB-CH2 3.79Å; P151-W153 HydrophobicContact CB-CZ2 3.5Å; P151-W153 VanDerWaalsContact CB-CZ2 3.5Å; P151-W153 HydrophobicContact CB-CZ3 4.03Å; P151-W153 HydrophobicContact CG-CZ2 4.11Å; P151-W153 PolarHBondContact O-N 3.27Å; P151-W153 VanDerWaalsContact O-N 3.07Å; P151-K154 HydrophobicContact CB-CG 4.39Å; P151-K154 HydrophobicContact CG-CD 4.14Å; P151-K154 HydrophobicContact CG-CG 4.33Å; P151-K154 PolarHBondContact O-N 3.4Å; P151-E168 WeakPolarHBondContact CG-OE1 3.38Å; P151-P348 HydrophobicContact CG-CB 4.33Å; P151-P348 HydrophobicContact CG-CG 4.14Å
152	P	96.3	Very high	97.9	Very high	9 Å²	9	34 Å²	34	6%	0.058	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.6	-174.9	25.8	-35.3	0	0	0	114.7	M93 M102 R106	M93-P152 HydrophobicContact CE-CB 4.09Å; M93-P152 WeakPolarHBondContact CE-O 3.23Å; M93-P152 HydrophobicContact SD-CB 3.69Å; M102-P152 HydrophobicContact CE-CB 3.69Å; M102-P152 HydrophobicContact CE-CG 3.47Å; M102-P152 VanDerWaalsContact CE-CG 3.47Å; M102-P152 HydrophobicContact SD-CB 3.86Å; M102-P152 HydrophobicContact SD-CG 3.79Å; R106-P152 PolarHBondContact NH2-O 3.46Å
153	W	95.1	Very high	97.9	Very high	91 Å²	91	29.7 Å²	29.7	35%	0.345	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-18.4	171.7	58.1	88.5	0	0	0	113.6	M102 K105 R106 P151	M102-W153 HydrophobicContact SD-CB 4.18Å; M102-W153 HydrophobicContact SD-CE3 4.37Å; K105-W153 HydrophobicContact CB-CB 3.67Å; K105-W153 HydrophobicContact CB-CD2 4.2Å; K105-W153 HydrophobicContact CB-CG 3.86Å; K105-W153 HydrophobicContact CG-CE3 4.43Å; R106-W153 HydrophobicContact CG-CB 4.17Å; R106-W153 WeakPolarHBondContact CG-O 3.33Å; R106-W153 PolarHBondContact NE-O 3.43Å; P151-W153 HydrophobicContact CB-CD2 3.74Å; P151-W153 VanDerWaalsContact CB-CE2 3.45Å; P151-W153 HydrophobicContact CB-CE3 4.01Å; P151-W153 HydrophobicContact CB-CG 4.4Å; P151-W153 HydrophobicContact CB-CH2 3.79Å; P151-W153 HydrophobicContact CB-CZ2 3.5Å; P151-W153 VanDerWaalsContact CB-CZ2 3.5Å; P151-W153 HydrophobicContact CB-CZ3 4.03Å; P151-W153 HydrophobicContact CG-CZ2 4.11Å; P151-W153 PolarHBondContact O-N 3.27Å; P151-W153 VanDerWaalsContact O-N 3.07Å
154	K	96.3	Very high	97.9	Very high	40 Å²	40	19.7 Å²	19.7	17%	0.174	9%	0.092	C	C	.	.	S	Bend	trans	-85.2	162.5	175.6	-66.2	-167.6	177.8	-178	0	111.9	I150 P151 S165 E168	I150-K154 HydrophobicContact CG2-CB 4.05Å; P151-K154 HydrophobicContact CB-CG 4.39Å; P151-K154 HydrophobicContact CG-CD 4.14Å; P151-K154 HydrophobicContact CG-CG 4.33Å; P151-K154 PolarHBondContact O-N 3.4Å; K154-S165 PolarHBondContact NZ-OG 3.19Å; K154-E168 VanDerWaalsContact CE-OE1 3.29Å; K154-E168 WeakPolarHBondContact CE-OE1 2.95Å; K154-E168 IonicContact NZ-OE1 4Å; K154-E168 PolarHBondContact NZ-OE1 2.85Å; K154-E168 IonicContact NZ-OE2 2.69Å; K154-E168 PolarHBondContact NZ-OE2 2.87Å
155	Q	97.8	Very high	97.9	Very high	80 Å²	80	19.4 Å²	19.4	37%	0.374	9%	0.092	S	C	.	.			trans	-62.3	139.8	168.2	-69.8	-71.8	35.1	0	0	110.3	P119	P119-Q155 PolarHBondContact O-NE2 2.85Å
156	G	98.2	Very high	97.8	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.01	8%	0.082	C	C	.	.			trans	-88.4	-173.5	-171.3	0	0	0	0	0	116.4	I121 L122 G123 V162	I121-G156 WeakPolarHBondContact CG2-O 3.33Å; I121-G156 WeakPolarHBondContact O-CA 3.4Å; I121-G156 PolarHBondContact O-N 3.27Å; L122-G156 CarbonylContact O-C 3.53Å; L122-G156 WeakPolarHBondContact O-CA 3.33Å; G123-G156 CarbonylContact O-C 3.52Å; G123-G156 WeakPolarHBondContact O-CA 3.37Å; G156-V162 WeakPolarHBondContact O-CG2 3.26Å
157	S	98.4	Very high	97.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-93	-1.4	-174.6	54.2	0	0	0	0	115.6	A84 L122 G123 D125 A159 I398	A84-S157 WeakPolarHBondContact CB-OG 3.4Å; L122-S157 PolarHBondContact O-N 3.18Å; G123-S157 VanDerWaalsContact C-OG 3.23Å; G123-S157 WeakPolarHBondContact CA-OG 3.39Å; G123-S157 PolarHBondContact O-N 3.48Å; G123-S157 PolarHBondContact O-OG 2.95Å; D125-S157 VanDerWaalsContact O-CB 3.24Å; D125-S157 WeakPolarHBondContact O-CB 3.17Å; D125-S157 PolarHBondContact O-OG 2.8Å; S157-A159 PolarHBondContact O-N 3.07Å; S157-I398 WeakPolarHBondContact O-CD1 3.28Å
158	L	98.8	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-77.8	47.5	175.1	-64.3	176	0	0	0	112.6	A48 W49 A84 L86 I121 L122 V378 V396 I398	A48-L158 WeakPolarHBondContact CA-O 3.19Å; W49-L158 HydrophobicContact CB-CB 4.34Å; W49-L158 PolarHBondContact N-O 2.83Å; A84-L158 HydrophobicContact CB-CD2 4.15Å; L86-L158 HydrophobicContact CD2-CD1 4.04Å; L86-L158 HydrophobicContact CD2-CD2 4.04Å; L86-L158 HydrophobicContact CD2-CG 4.48Å; I121-L158 HydrophobicContact CG2-CB 4.35Å; L122-L158 HydrophobicContact CB-CD1 4.05Å; L122-L158 WeakPolarHBondContact O-CB 3.34Å; L122-L158 WeakPolarHBondContact O-CG 3.17Å; L122-L158 PolarHBondContact O-N 3.48Å; L158-V378 HydrophobicContact CD1-CG1 3.95Å; L158-V378 HydrophobicContact CD2-CG2 4.07Å; L158-V396 HydrophobicContact CD2-CB 4.38Å; L158-V396 HydrophobicContact CD2-CG2 4.33Å; L158-I398 HydrophobicContact CD2-CD1 4.42Å
159	A	98.4	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-147.9	162.7	179.4	0	0	0	0	0	110.4	M46 P47 A48 V81 I121 S157 F161	M46-A159 HydrophobicContact CE-CB 3.64Å; M46-A159 HydrophobicContact SD-CB 4.02Å; P47-A159 WeakPolarHBondContact O-CA 3.29Å; A48-A159 HydrophobicContact CB-CB 3.66Å; V81-A159 WeakPolarHBondContact CB-O 3.32Å; V81-A159 WeakPolarHBondContact CG2-O 3.45Å; I121-A159 HydrophobicContact CD1-CB 4.13Å; I121-A159 HydrophobicContact CG2-CB 4.15Å; S157-A159 PolarHBondContact O-N 3.07Å; A159-F161 PolarHBondContact O-N 3.4Å
160	E	97.9	Very high	97.4	Very high	42 Å²	42	22 Å²	22	20%	0.196	11%	0.111	C	C	.	.	S	Bend	trans	-64.3	-29.5	-179.9	-164.7	-174.4	173.1	0	0	112.8	M46 P47 K80 V81	M46-E160 HydrophobicContact CB-CB 4.33Å; P47-E160 WeakPolarHBondContact CD-OE2 3.24Å; P47-E160 PolarHBondContact O-N 2.67Å; K80-E160 CarbonylContact C-O 2.99Å; K80-E160 WeakPolarHBondContact CA-O 3.4Å; K80-E160 IonicContact NZ-OE1 3.59Å; K80-E160 PolarHBondContact NZ-OE1 2.98Å; V81-E160 PolarHBondContact N-O 3.09Å
161	F	98.4	Very high	97.4	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.018	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.3	178.3	-54.1	-90.1	0	0	0	111.5	M43 M46 F68 P69 I78 V79 K80 M131 A159	M43-F161 HydrophobicContact CE-CE1 4.43Å; M43-F161 HydrophobicContact CE-CE2 3.8Å; M43-F161 HydrophobicContact CE-CZ 3.51Å; M46-F161 HydrophobicContact CB-CD2 4.06Å; M46-F161 WeakPolarHBondContact CE-O 3.37Å; M46-F161 HydrophobicContact SD-CB 3.83Å; M46-F161 HydrophobicContact SD-CD2 3.99Å; M46-F161 HydrophobicContact SD-CG 4.44Å; M46-F161 PolarHBondContact SD-N 3.21Å; F68-F161 AromaticContact CD2-CD2 3.84Å; F68-F161 HydrophobicContact CD2-CD2 3.84Å; F68-F161 HydrophobicContact CD2-CE2 4.23Å; F68-F161 HydrophobicContact CD2-CG 4.3Å; F68-F161 HydrophobicContact CE2-CB 4.26Å; F68-F161 AromaticContact CE2-CD1 4Å; F68-F161 HydrophobicContact CE2-CD1 4Å; F68-F161 AromaticContact CE2-CD2 3.45Å; F68-F161 HydrophobicContact CE2-CD2 3.45Å; F68-F161 VanDerWaalsContact CE2-CD2 3.45Å; F68-F161 HydrophobicContact CE2-CE1 4.21Å; F68-F161 AromaticContact CE2-CE2 3.71Å; F68-F161 HydrophobicContact CE2-CE2 3.71Å; F68-F161 AromaticContact CE2-CG 3.63Å; F68-F161 HydrophobicContact CE2-CG 3.63Å; F68-F161 HydrophobicContact CE2-CZ 4.09Å; F68-F161 HydrophobicContact CZ-CD1 4.36Å; F68-F161 HydrophobicContact CZ-CG 4.28Å; P69-F161 HydrophobicContact CG-CB 3.63Å; I78-F161 HydrophobicContact CG2-CB 4.16Å; I78-F161 HydrophobicContact CG2-CD1 4.3Å; V79-F161 CarbonylContact O-C 3.58Å; V79-F161 VanDerWaalsContact O-CA 3.26Å; V79-F161 WeakPolarHBondContact O-CA 3.47Å; K80-F161 HydrophobicContact CB-CD1 3.82Å; K80-F161 HydrophobicContact CB-CE1 3.67Å; K80-F161 HydrophobicContact CD-CE1 4.19Å; K80-F161 HydrophobicContact CG-CD1 4.15Å; K80-F161 HydrophobicContact CG-CE1 3.69Å; K80-F161 HydrophobicContact CG-CZ 4.26Å; M131-F161 HydrophobicContact CG-CD1 4.05Å; M131-F161 HydrophobicContact CG-CE1 3.86Å; M131-F161 HydrophobicContact SD-CE1 4.37Å; A159-F161 PolarHBondContact O-N 3.4Å
162	V	98.3	Very high	97.5	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	146.2	175.3	68.4	0	0	0	0	111.3	V79 V81 V126 I150 G156 L164	V79-V162 HydrophobicContact CB-CG1 4.25Å; V79-V162 PolarHBondContact N-O 2.85Å; V79-V162 PolarHBondContact O-N 2.98Å; V81-V162 HydrophobicContact CG2-CB 4.32Å; V81-V162 HydrophobicContact CG2-CG1 3.86Å; V126-V162 HydrophobicContact CG2-CG1 4.18Å; I150-V162 HydrophobicContact CD1-CG1 4.37Å; I150-V162 HydrophobicContact CD1-CG2 3.85Å; G156-V162 WeakPolarHBondContact O-CG2 3.26Å; V162-L164 HydrophobicContact CG1-CD1 4.11Å; V162-L164 HydrophobicContact CG1-CG 4.2Å; V162-L164 HydrophobicContact CG2-CD2 4.3Å
163	V	98.2	Very high	97.6	Very high	31 Å²	31	26.2 Å²	26.2	19%	0.188	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.3	174.5	62.5	0	0	0	0	110.5	P69 E76 V77	P69-V163 HydrophobicContact CB-CB 4.03Å; P69-V163 HydrophobicContact CB-CG1 4.25Å; E76-V163 HydrophobicContact CB-CG2 3.81Å; E76-V163 HydrophobicContact CG-CG2 4.17Å; V77-V163 WeakPolarHBondContact O-CA 3.47Å
164	L	97.6	Very high	97.7	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.8	-175.6	-58.6	169.2	0	0	0	109.8	E76 V77 V79 V126 A148 I150 V162 I169	E76-L164 CarbonylContact C-O 3.43Å; E76-L164 WeakPolarHBondContact CA-O 3.5Å; V77-L164 HydrophobicContact CG2-CB 4.3Å; V77-L164 PolarHBondContact N-O 3.15Å; V77-L164 PolarHBondContact O-N 2.92Å; V79-L164 HydrophobicContact CG2-CD1 4.02Å; V126-L164 HydrophobicContact CG1-CD1 3.89Å; A148-L164 HydrophobicContact CB-CD1 3.81Å; I150-L164 HydrophobicContact CB-CD2 4.36Å; I150-L164 HydrophobicContact CD1-CD2 3.93Å; I150-L164 HydrophobicContact CG1-CD2 3.73Å; I150-L164 HydrophobicContact CG2-CD2 4.07Å; V162-L164 HydrophobicContact CG1-CD1 4.11Å; V162-L164 HydrophobicContact CG1-CG 4.2Å; V162-L164 HydrophobicContact CG2-CD2 4.3Å; L164-I169 HydrophobicContact CB-CG2 3.63Å; L164-I169 HydrophobicContact CD1-CG2 3.65Å; L164-I169 HydrophobicContact CG-CG2 4.28Å
165	S	97.5	Very high	97.8	Very high	14 Å²	14	32.2 Å²	32.2	10%	0.098	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	142.5	172.5	-58	0	0	0	0	109.8	K154 N167 E168	K154-S165 PolarHBondContact NZ-OG 3.19Å; S165-N167 WeakPolarHBondContact CB-OD1 3.49Å; S165-N167 PolarHBondContact O-N 2.88Å; S165-E168 PolarHBondContact N-OE2 2.86Å; S165-E168 WeakPolarHBondContact O-CB 3.44Å; S165-E168 PolarHBondContact O-N 2.98Å
166	A	96.2	Very high	97.8	Very high	25 Å²	25	29.4 Å²	29.4	21%	0.207	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.6	-173.3	0	0	0	0	0	115.1	N75 V137 F140	N75-A166 VanDerWaalsContact O-CB 3.32Å; N75-A166 WeakPolarHBondContact O-CB 3.45Å; N75-A166 PolarHBondContact O-N 3.28Å; V137-A166 HydrophobicContact CG1-CB 4.21Å; V137-A166 HydrophobicContact CG2-CB 4.12Å; F140-A166 HydrophobicContact CD2-CB 4.45Å; F140-A166 WeakPolarHBondContact CE2-O 3.44Å
167	N	95.9	Very high	97.8	Very high	104 Å²	104	32 Å²	32	56%	0.556	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.8	173	63.3	-38.7	0	0	0	114.1	S165 G350	S165-N167 WeakPolarHBondContact CB-OD1 3.49Å; S165-N167 PolarHBondContact O-N 2.88Å; N167-G350 PolarHBondContact O-N 3.19Å
168	E	95.7	Very high	97.9	Very high	14 Å²	14	33.1 Å²	33.1	7%	0.065	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-16.6	177.8	-57.4	170.4	155.6	0	0	112.2	A148 P151 K154 S165 P348	A148-E168 WeakPolarHBondContact CB-O 3.34Å; P151-E168 WeakPolarHBondContact CG-OE1 3.38Å; K154-E168 VanDerWaalsContact CE-OE1 3.29Å; K154-E168 WeakPolarHBondContact CE-OE1 2.95Å; K154-E168 IonicContact NZ-OE1 4Å; K154-E168 PolarHBondContact NZ-OE1 2.85Å; K154-E168 IonicContact NZ-OE2 2.69Å; K154-E168 PolarHBondContact NZ-OE2 2.87Å; S165-E168 PolarHBondContact N-OE2 2.86Å; S165-E168 WeakPolarHBondContact O-CB 3.44Å; S165-E168 PolarHBondContact O-N 2.98Å; E168-P348 HydrophobicContact CB-CB 4.48Å; E168-P348 HydrophobicContact CG-CB 4.2Å
169	I	96.9	Very high	97.8	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	156.9	-175.9	72.3	179.2	0	0	0	111.6	V77 I130 F140 A148 L164 G350	V77-I169 HydrophobicContact CG1-CD1 4.16Å; V77-I169 HydrophobicContact CG2-CD1 3.64Å; V77-I169 HydrophobicContact CG2-CG2 4.31Å; I130-I169 HydrophobicContact CD1-CD1 4.22Å; F140-I169 HydrophobicContact CB-CD1 4.46Å; F140-I169 HydrophobicContact CD1-CD1 4.08Å; F140-I169 HydrophobicContact CD1-CG1 4.49Å; F140-I169 HydrophobicContact CD2-CD1 3.62Å; F140-I169 HydrophobicContact CD2-CG1 4Å; F140-I169 HydrophobicContact CE1-CD1 4.21Å; F140-I169 HydrophobicContact CE1-CG1 4.11Å; F140-I169 HydrophobicContact CE2-CD1 3.76Å; F140-I169 HydrophobicContact CE2-CG1 3.57Å; F140-I169 HydrophobicContact CG-CD1 3.79Å; F140-I169 HydrophobicContact CG-CG1 4.44Å; F140-I169 HydrophobicContact CZ-CD1 4.06Å; F140-I169 HydrophobicContact CZ-CG1 3.64Å; A148-I169 HydrophobicContact CB-CB 4.36Å; A148-I169 HydrophobicContact CB-CG2 3.94Å; L164-I169 HydrophobicContact CB-CG2 3.63Å; L164-I169 HydrophobicContact CD1-CG2 3.65Å; L164-I169 HydrophobicContact CG-CG2 4.28Å; I169-G350 WeakPolarHBondContact O-CA 3.48Å
170	S	98.6	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	161.5	174.5	160.4	0	0	0	0	109.1	V146 W147 D354	V146-S170 VanDerWaalsContact CA-O 3.22Å; V146-S170 WeakPolarHBondContact CA-O 3.29Å; V146-S170 VanDerWaalsContact CB-O 3.27Å; V146-S170 WeakPolarHBondContact CB-O 3.45Å; V146-S170 WeakPolarHBondContact CG1-O 3.12Å; W147-S170 PolarHBondContact N-O 2.82Å; W147-S170 PolarHBondContact NE1-OG 2.92Å; W147-S170 PolarHBondContact O-N 2.92Å; S170-D354 WeakPolarHBondContact CB-OD1 3.02Å; S170-D354 PolarHBondContact OG-N 3.25Å; S170-D354 PolarHBondContact OG-OD1 3.41Å
171	H	98.8	Very high	97.9	Very high	82 Å²	82	36 Å²	36	38%	0.38	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	135.3	170.1	-73.8	-64.5	0	0	0	110.7	F140 D144 W147	F140-H171 AromaticContact CD1-CE1 3.64Å; F140-H171 AromaticContact CD1-NE2 3.84Å; F140-H171 AromaticContact CE1-CD2 3.94Å; F140-H171 AromaticContact CE1-CE1 3.9Å; F140-H171 AromaticContact CE1-NE2 3.8Å; D144-H171 IonicContact OD2-CE1 3.94Å; W147-H171 PolarHBondContact NE1-O 2.82Å; W147-H171 VanDerWaalsContact NE1-O 3.16Å
172	K	98.5	Very high	97.9	Very high	13 Å²	13	35.8 Å²	35.8	6%	0.057	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-62.7	138.5	175.4	-173.4	-170.3	129.2	-66.8	0	109.4	S127 E145 K174 I176 H178 A181	S127-K172 WeakPolarHBondContact OG-CD 3.36Å; E145-K172 HydrophobicContact CB-CB 3.93Å; E145-K172 HydrophobicContact CB-CD 4.4Å; E145-K172 PolarHBondContact O-N 3.18Å; E145-K172 WeakPolarHBondContact OE2-CD 3.41Å; E145-K172 WeakPolarHBondContact OE2-CE 3.34Å; E145-K172 IonicContact OE2-NZ 3.91Å; E145-K172 PolarHBondContact OE2-NZ 3.47Å; K172-K174 PolarHBondContact O-N 3.26Å; K172-I176 WeakPolarHBondContact CE-O 3.22Å; K172-I176 PolarHBondContact NZ-O 2.89Å; K172-H178 WeakPolarHBondContact CD-ND1 3.35Å; K172-A181 HydrophobicContact CD-CB 3.93Å; K172-A181 HydrophobicContact CG-CB 3.67Å
173	P	98.6	Very high	97.9	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.019	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-60.4	139.7	173.2	-17.8	30.6	0	0	0	110	W147 S175 I176 V360 D361	W147-P173 HydrophobicContact CD2-CG 4.42Å; W147-P173 HydrophobicContact CE3-CG 4.29Å; W147-P173 HydrophobicContact CH2-CG 3.36Å; W147-P173 HydrophobicContact CZ2-CG 3.51Å; W147-P173 HydrophobicContact CZ3-CG 3.76Å; P173-S175 VanDerWaalsContact C-N 3.35Å; P173-I176 HydrophobicContact CB-CD1 4.43Å; P173-I176 HydrophobicContact CB-CG1 4.17Å; P173-I176 HydrophobicContact CG-CD1 4.29Å; P173-I176 HydrophobicContact CG-CG1 4.5Å; P173-V360 HydrophobicContact CB-CB 4.03Å; P173-V360 HydrophobicContact CB-CG1 3.66Å; P173-V360 HydrophobicContact CG-CB 4.02Å; P173-V360 HydrophobicContact CG-CG1 3.91Å; P173-D361 VanDerWaalsContact CB-OD1 3.23Å; P173-D361 WeakPolarHBondContact CB-OD1 3.49Å
174	K	97.7	Very high	97.9	Very high	187 Å²	187	34.7 Å²	34.7	81%	0.813	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-23.7	-171.9	-65	174.9	-174.6	168.1	0	112.6	K172 I176 D361	K172-K174 PolarHBondContact O-N 3.26Å; K174-I176 VanDerWaalsContact C-N 3.33Å; K174-I176 PolarHBondContact O-N 2.84Å; K174-D361 PolarHBondContact N-OD1 2.82Å; K174-D361 PolarHBondContact N-OD2 3.06Å
175	S	97.9	Very high	97.9	Very high	70 Å²	70	34.6 Å²	34.6	49%	0.49	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.1	-176.4	58.2	0	0	0	0	115.3	P173 D361	P173-S175 VanDerWaalsContact C-N 3.35Å; S175-D361 WeakPolarHBondContact CB-OD1 3.35Å; S175-D361 PolarHBondContact N-OD1 2.96Å; S175-D361 PolarHBondContact OG-OD1 3.24Å
176	I	98.3	Very high	98	Very high	22 Å²	22	35.4 Å²	35.4	11%	0.113	19%	0.185	C	C	.	.	S	Bend	trans	-127.6	159.1	-171.8	62.2	170.3	0	0	0	113	K172 P173 K174 Q180 A181 I184 V360	K172-I176 WeakPolarHBondContact CE-O 3.22Å; K172-I176 PolarHBondContact NZ-O 2.89Å; P173-I176 HydrophobicContact CB-CD1 4.43Å; P173-I176 HydrophobicContact CB-CG1 4.17Å; P173-I176 HydrophobicContact CG-CD1 4.29Å; P173-I176 HydrophobicContact CG-CG1 4.5Å; K174-I176 VanDerWaalsContact C-N 3.33Å; K174-I176 PolarHBondContact O-N 2.84Å; I176-Q180 HydrophobicContact CB-CB 3.87Å; I176-Q180 HydrophobicContact CD1-CB 4.23Å; I176-Q180 HydrophobicContact CG1-CB 4.47Å; I176-Q180 HydrophobicContact CG2-CB 4.5Å; I176-A181 HydrophobicContact CD1-CB 3.8Å; I176-A181 HydrophobicContact CG1-CB 4.24Å; I176-I184 HydrophobicContact CD1-CD1 4.15Å; I176-V360 HydrophobicContact CD1-CG1 3.83Å; I176-V360 HydrophobicContact CG1-CG1 4.22Å; I176-V360 HydrophobicContact CG2-CG1 4.05Å
177	S	98.3	Very high	98	Very high	54 Å²	54	34.7 Å²	34.7	38%	0.378	18%	0.178	S	C	.	.			trans	-74.7	166.3	175.4	75.1	0	0	0	0	112.7	T179 Q180 A181	S177-T179 VanDerWaalsContact C-N 3.28Å; S177-T179 PolarHBondContact O-N 3.3Å; S177-T179 PolarHBondContact OG-N 2.92Å; S177-Q180 PolarHBondContact O-N 2.86Å; S177-Q180 PolarHBondContact OG-N 2.75Å; S177-Q180 VanDerWaalsContact OG-N 3.17Å; S177-Q180 PolarHBondContact OG-OE1 3.36Å; S177-A181 WeakPolarHBondContact O-CB 3.46Å; S177-A181 PolarHBondContact O-N 3.3Å
178	H	98.6	Very high	98.1	Very high	24 Å²	24	29.7 Å²	29.7	11%	0.111	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-39.8	170.8	-76.2	-67.9	0	0	0	112.5	F82 S127 G128 E145 K172 Q180 A181 A182	F82-H178 HydrophobicContact CB-CB 3.73Å; F82-H178 AromaticContact CD1-CD2 3.25Å; F82-H178 WeakPolarHBondContact CD1-CD2 3.25Å; F82-H178 AromaticContact CD1-CG 3.94Å; F82-H178 AromaticContact CD1-NE2 3.61Å; F82-H178 AromaticContact CE1-CD2 3.88Å; F82-H178 AromaticContact CE1-NE2 3.85Å; F82-H178 AromaticContact CG-CD2 3.78Å; S127-H178 PolarHBondContact OG-ND1 3.15Å; G128-H178 PolarHBondContact N-ND1 3.18Å; G128-H178 PolarHBondContact O-CE1 2.86Å; G128-H178 VanDerWaalsContact O-CE1 3.31Å; E145-H178 IonicContact OE1-NE2 2.73Å; K172-H178 WeakPolarHBondContact CD-ND1 3.35Å; H178-Q180 VanDerWaalsContact C-N 3.34Å; H178-Q180 PolarHBondContact O-N 3.47Å; H178-A181 PolarHBondContact O-N 2.97Å; H178-A182 WeakPolarHBondContact O-CB 3.27Å; H178-A182 PolarHBondContact O-N 2.92Å
179	T	98.4	Very high	98.2	Very high	24 Å²	24	29.1 Å²	29.1	15%	0.147	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-40.3	177.6	-46.3	0	0	0	0	111.8	S177 T372 V395 E397	S177-T179 VanDerWaalsContact C-N 3.28Å; S177-T179 PolarHBondContact O-N 3.3Å; S177-T179 PolarHBondContact OG-N 2.92Å; T179-T372 HydrophobicContact CG2-CG2 3.56Å; T179-V395 HydrophobicContact CG2-CB 4.29Å; T179-V395 HydrophobicContact CG2-CG1 3.78Å; T179-E397 HydrophobicContact CG2-CG 3.91Å; T179-E397 VanDerWaalsContact CG2-OE1 3.29Å; T179-E397 WeakPolarHBondContact CG2-OE1 3.25Å; T179-E397 PolarHBondContact OG1-OE1 3.06Å
180	Q	98.4	Very high	98.3	Very high	79 Å²	79	29.6 Å²	29.6	37%	0.369	15%	0.152	S	C	.	.	H	α-helix	trans	-70.5	-42.9	173.6	-73.7	170.9	-44.9	0	0	112	I176 S177 H178 A182 A183 A367	I176-Q180 HydrophobicContact CB-CB 3.87Å; I176-Q180 HydrophobicContact CD1-CB 4.23Å; I176-Q180 HydrophobicContact CG1-CB 4.47Å; I176-Q180 HydrophobicContact CG2-CB 4.5Å; S177-Q180 PolarHBondContact O-N 2.86Å; S177-Q180 PolarHBondContact OG-N 2.75Å; S177-Q180 VanDerWaalsContact OG-N 3.17Å; S177-Q180 PolarHBondContact OG-OE1 3.36Å; H178-Q180 VanDerWaalsContact C-N 3.34Å; H178-Q180 PolarHBondContact O-N 3.47Å; Q180-A182 PolarHBondContact O-N 3.1Å; Q180-A183 WeakPolarHBondContact O-CB 3.17Å; Q180-A183 PolarHBondContact O-N 2.92Å; Q180-A367 HydrophobicContact CB-CB 3.78Å; Q180-A367 HydrophobicContact CG-CB 4.24Å; Q180-A367 WeakPolarHBondContact O-CB 3.46Å
181	A	98.6	Very high	98.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-41.2	-179.4	0	0	0	0	0	111.8	W147 K172 I176 S177 H178 A183 I184 P185	W147-A181 HydrophobicContact CE3-CB 3.97Å; K172-A181 HydrophobicContact CD-CB 3.93Å; K172-A181 HydrophobicContact CG-CB 3.67Å; I176-A181 HydrophobicContact CD1-CB 3.8Å; I176-A181 HydrophobicContact CG1-CB 4.24Å; S177-A181 WeakPolarHBondContact O-CB 3.46Å; S177-A181 PolarHBondContact O-N 3.3Å; H178-A181 PolarHBondContact O-N 2.97Å; A181-A183 PolarHBondContact O-N 2.99Å; A181-I184 PolarHBondContact O-N 3.46Å; A181-I184 VanDerWaalsContact O-N 3.13Å; A181-P185 WeakPolarHBondContact O-CD 3.35Å
182	A	98.4	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-8.9	177.5	0	0	0	0	0	114.3	A83 G85 D125 H178 Q180 V395	A83-A182 HydrophobicContact CB-CB 3.64Å; A83-A182 WeakPolarHBondContact O-CB 3.25Å; G85-A182 WeakPolarHBondContact CA-O 3.1Å; G85-A182 PolarHBondContact N-O 2.87Å; D125-A182 WeakPolarHBondContact CB-O 3.46Å; H178-A182 WeakPolarHBondContact O-CB 3.27Å; H178-A182 PolarHBondContact O-N 2.92Å; Q180-A182 PolarHBondContact O-N 3.1Å; A182-V395 HydrophobicContact CB-CG1 4.17Å
183	A	98.1	Very high	98.2	Very high	3 Å²	3	26.4 Å²	26.4	3%	0.025	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-12.2	174.8	0	0	0	0	0	114.1	Q180 A181 V369 K393 V395	Q180-A183 WeakPolarHBondContact O-CB 3.17Å; Q180-A183 PolarHBondContact O-N 2.92Å; A181-A183 PolarHBondContact O-N 2.99Å; A183-V369 HydrophobicContact CB-CG2 3.9Å; A183-K393 HydrophobicContact CB-CB 3.93Å; A183-K393 HydrophobicContact CB-CG 4.39Å; A183-K393 WeakPolarHBondContact O-CE 3.32Å; A183-K393 WeakPolarHBondContact O-CG 3.48Å; A183-V395 HydrophobicContact CB-CG2 3.9Å
184	I	98.4	Very high	98.2	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.036	14%	0.137	C	C	.	.	S	Bend	trans	-102.9	-50.7	-164.8	-66.3	170.6	0	0	0	114.4	W147 I176 A181 Y186 V187 A188 F223 I356 V360 A367	W147-I184 HydrophobicContact CE3-CB 4.32Å; W147-I184 HydrophobicContact CH2-CB 4.35Å; W147-I184 HydrophobicContact CH2-CD1 4.46Å; W147-I184 HydrophobicContact CH2-CG2 3.82Å; W147-I184 HydrophobicContact CZ3-CB 3.63Å; W147-I184 HydrophobicContact CZ3-CD1 3.9Å; W147-I184 HydrophobicContact CZ3-CG1 4.33Å; W147-I184 HydrophobicContact CZ3-CG2 3.62Å; I176-I184 HydrophobicContact CD1-CD1 4.15Å; A181-I184 PolarHBondContact O-N 3.46Å; A181-I184 VanDerWaalsContact O-N 3.13Å; I184-Y186 PolarHBondContact O-N 3.32Å; I184-V187 WeakPolarHBondContact O-CG2 3.37Å; I184-V187 PolarHBondContact O-N 3.16Å; I184-A188 HydrophobicContact CG2-CB 3.63Å; I184-A188 WeakPolarHBondContact O-CB 3.45Å; I184-A188 PolarHBondContact O-N 3Å; I184-F223 HydrophobicContact CG2-CD2 4.35Å; I184-F223 HydrophobicContact CG2-CE2 4.27Å; I184-I356 HydrophobicContact CG2-CG2 4.09Å; I184-V360 HydrophobicContact CD1-CG2 4.04Å; I184-A367 HydrophobicContact CD1-CB 3.91Å; I184-A367 HydrophobicContact CG1-CB 4.35Å
185	P	98.5	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-53.3	-52.3	-157.7	-32.2	33.7	0	0	0	117.3	D125 W147 A148 A149 A181 A188 T189 L353	D125-P185 WeakPolarHBondContact OD1-CD 3.25Å; W147-P185 HydrophobicContact CB-CG 4.05Å; W147-P185 HydrophobicContact CD2-CG 4.07Å; W147-P185 HydrophobicContact CE3-CG 3.88Å; W147-P185 HydrophobicContact CG-CG 4.18Å; A148-P185 VanDerWaalsContact C-CB 3.41Å; A148-P185 VanDerWaalsContact O-CB 3.27Å; A148-P185 WeakPolarHBondContact O-CB 3.35Å; A149-P185 HydrophobicContact CB-CB 3.83Å; A181-P185 WeakPolarHBondContact O-CD 3.35Å; P185-A188 PolarHBondContact O-N 2.88Å; P185-T189 WeakPolarHBondContact O-CB 3.39Å; P185-T189 WeakPolarHBondContact O-CG2 3.47Å; P185-T189 PolarHBondContact O-N 2.9Å; P185-T189 PolarHBondContact O-OG1 2.56Å; P185-L353 HydrophobicContact CB-CD1 4.21Å; P185-L353 HydrophobicContact CB-CD2 3.91Å; P185-L353 HydrophobicContact CG-CD2 4.4Å
186	Y	98.5	Very high	98.2	Very high	30 Å²	30	15.4 Å²	15.4	12%	0.118	8%	0.084	C	C	.	.	H	α-helix	trans	-67.7	-43.8	-174.5	-170.4	-90.3	0	0	0	111.5	N87 I89 R124 D125 A149 I184 T189 T190 F346	N87-Y186 HydrophobicContact CB-CD1 4.27Å; N87-Y186 WeakPolarHBondContact OD1-CD1 3.26Å; I89-Y186 HydrophobicContact CG2-CE1 3.91Å; R124-Y186 HydrophobicContact CB-CD2 3.47Å; R124-Y186 VanDerWaalsContact CB-CD2 3.47Å; R124-Y186 HydrophobicContact CB-CE2 3.81Å; R124-Y186 HydrophobicContact CB-CG 4.05Å; R124-Y186 HydrophobicContact CG-CD2 4.24Å; R124-Y186 HydrophobicContact CG-CE2 4.08Å; D125-Y186 VanDerWaalsContact OD1-CB 3.22Å; D125-Y186 WeakPolarHBondContact OD1-CB 3.49Å; D125-Y186 PolarHBondContact OD1-N 3.05Å; A149-Y186 HydrophobicContact CB-CD2 4.42Å; I184-Y186 PolarHBondContact O-N 3.32Å; Y186-T189 PolarHBondContact O-OG1 3.17Å; Y186-T190 VanDerWaalsContact O-CB 3.22Å; Y186-T190 WeakPolarHBondContact O-CB 3.22Å; Y186-T190 PolarHBondContact O-N 3.22Å; Y186-T190 PolarHBondContact O-OG1 3.5Å; Y186-F346 AromaticContact CD2-CD2 3.63Å; Y186-F346 HydrophobicContact CD2-CD2 3.63Å; Y186-F346 AromaticContact CD2-CE2 3.52Å; Y186-F346 HydrophobicContact CD2-CE2 3.52Å; Y186-F346 HydrophobicContact CD2-CG 4.21Å; Y186-F346 HydrophobicContact CD2-CZ 4.01Å; Y186-F346 HydrophobicContact CE2-CB 4.3Å; Y186-F346 AromaticContact CE2-CD1 3.87Å; Y186-F346 HydrophobicContact CE2-CD1 3.87Å; Y186-F346 AromaticContact CE2-CD2 3.46Å; Y186-F346 HydrophobicContact CE2-CD2 3.46Å; Y186-F346 VanDerWaalsContact CE2-CD2 3.46Å; Y186-F346 HydrophobicContact CE2-CE1 4.07Å; Y186-F346 AromaticContact CE2-CE2 3.68Å; Y186-F346 HydrophobicContact CE2-CE2 3.68Å; Y186-F346 AromaticContact CE2-CG 3.56Å; Y186-F346 HydrophobicContact CE2-CG 3.56Å; Y186-F346 AromaticContact CE2-CZ 3.97Å; Y186-F346 HydrophobicContact CE2-CZ 3.97Å; Y186-F346 HydrophobicContact CG-CD2 4.26Å; Y186-F346 HydrophobicContact CG-CE2 4.33Å; Y186-F346 AromaticContact CZ-CD2 3.95Å; Y186-F346 AromaticContact CZ-CG 3.83Å
187	V	97.6	Very high	98.1	Very high	10 Å²	10	19.3 Å²	19.3	6%	0.061	11%	0.105	C	C	.	.	H	α-helix	trans	-71.9	-34.6	177.2	-64.2	0	0	0	0	112.2	I184 A191 V220 K393	I184-V187 WeakPolarHBondContact O-CG2 3.37Å; I184-V187 PolarHBondContact O-N 3.16Å; V187-A191 WeakPolarHBondContact O-CB 3.21Å; V187-A191 PolarHBondContact O-N 3.34Å; V187-V220 HydrophobicContact CB-CG2 4Å; V187-V220 HydrophobicContact CG1-CG2 4.01Å; V187-K393 HydrophobicContact CG1-CD 3.95Å; V187-K393 HydrophobicContact CG2-CD 4.38Å
188	A	97.9	Very high	98.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.7	-52.6	177.7	0	0	0	0	0	112.2	I184 P185 T190 A191 W192 F223 I356	I184-A188 HydrophobicContact CG2-CB 3.63Å; I184-A188 WeakPolarHBondContact O-CB 3.45Å; I184-A188 PolarHBondContact O-N 3Å; P185-A188 PolarHBondContact O-N 2.88Å; A188-T190 VanDerWaalsContact C-N 3.29Å; A188-T190 PolarHBondContact O-N 3.17Å; A188-A191 PolarHBondContact O-N 3.31Å; A188-W192 VanDerWaalsContact O-CB 3.29Å; A188-W192 WeakPolarHBondContact O-CB 3.35Å; A188-W192 PolarHBondContact O-N 3.19Å; A188-F223 HydrophobicContact CB-CD1 4.26Å; A188-F223 HydrophobicContact CB-CD2 3.68Å; A188-F223 HydrophobicContact CB-CE1 3.98Å; A188-F223 HydrophobicContact CB-CE2 3.35Å; A188-F223 HydrophobicContact CB-CG 4.13Å; A188-F223 HydrophobicContact CB-CZ 3.53Å; A188-I356 HydrophobicContact CB-CD1 3.77Å; A188-I356 HydrophobicContact CB-CG2 4.27Å
189	T	97.8	Very high	98	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-63.9	-30.9	175.4	51.7	0	0	0	0	113.2	A149 P185 Y186 S193 F346 A347 L353	A149-T189 HydrophobicContact CB-CG2 4.43Å; P185-T189 WeakPolarHBondContact O-CB 3.39Å; P185-T189 WeakPolarHBondContact O-CG2 3.47Å; P185-T189 PolarHBondContact O-N 2.9Å; P185-T189 PolarHBondContact O-OG1 2.56Å; Y186-T189 PolarHBondContact O-OG1 3.17Å; T189-S193 VanDerWaalsContact O-CB 3.25Å; T189-S193 WeakPolarHBondContact O-CB 3.29Å; T189-S193 PolarHBondContact O-N 2.82Å; T189-F346 VanDerWaalsContact OG1-CE2 3.32Å; T189-F346 WeakPolarHBondContact OG1-CE2 3.37Å; T189-A347 WeakPolarHBondContact CB-O 3.35Å; T189-L353 HydrophobicContact CG2-CD1 4.4Å; T189-L353 HydrophobicContact CG2-CD2 3.84Å; T189-L353 HydrophobicContact CG2-CG 3.87Å
190	T	98.1	Very high	97.9	Very high	11 Å²	11	18 Å²	18	7%	0.067	11%	0.105	C	C	.	.	H	α-helix	trans	-66.3	-48.1	171	-60.4	0	0	0	0	111.4	Y186 A188 S193 A194 V220 L303	Y186-T190 VanDerWaalsContact O-CB 3.22Å; Y186-T190 WeakPolarHBondContact O-CB 3.22Å; Y186-T190 PolarHBondContact O-N 3.22Å; Y186-T190 PolarHBondContact O-OG1 3.5Å; A188-T190 VanDerWaalsContact C-N 3.29Å; A188-T190 PolarHBondContact O-N 3.17Å; T190-S193 PolarHBondContact O-N 3.36Å; T190-A194 PolarHBondContact O-N 3.3Å; T190-V220 HydrophobicContact CG2-CG2 4.28Å; T190-L303 HydrophobicContact CG2-CD1 3.53Å; T190-L303 HydrophobicContact CG2-CD2 3.67Å; T190-L303 HydrophobicContact CG2-CG 4.24Å
191	A	98	Very high	97.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.3	-42.7	175	0	0	0	0	0	112	V187 A188 A194 L195 V220 F223 A224	V187-A191 WeakPolarHBondContact O-CB 3.21Å; V187-A191 PolarHBondContact O-N 3.34Å; A188-A191 PolarHBondContact O-N 3.31Å; A191-A194 PolarHBondContact O-N 2.9Å; A191-L195 HydrophobicContact CB-CD1 4.49Å; A191-L195 VanDerWaalsContact O-CB 3.28Å; A191-L195 WeakPolarHBondContact O-CB 3.47Å; A191-L195 WeakPolarHBondContact O-CG 3.21Å; A191-L195 PolarHBondContact O-N 3.32Å; A191-V220 HydrophobicContact CB-CG1 4.06Å; A191-F223 HydrophobicContact CB-CD1 3.47Å; A191-F223 VanDerWaalsContact CB-CD1 3.47Å; A191-F223 HydrophobicContact CB-CE1 3.85Å; A191-A224 HydrophobicContact CB-CB 4.42Å
192	W	98.3	Very high	97.8	Very high	17 Å²	17	16.3 Å²	16.3	6%	0.064	10%	0.101	C	C	.	.	H	α-helix	trans	-59.8	-49.4	176.5	-168.7	-86.2	0	0	0	111.3	A188 A194 L195 V196 N197 M227 W231 A352 E355 I356	A188-W192 VanDerWaalsContact O-CB 3.29Å; A188-W192 WeakPolarHBondContact O-CB 3.35Å; A188-W192 PolarHBondContact O-N 3.19Å; W192-A194 VanDerWaalsContact C-N 3.29Å; W192-A194 PolarHBondContact O-N 2.98Å; W192-L195 PolarHBondContact O-N 3.31Å; W192-V196 HydrophobicContact CD2-CB 4.31Å; W192-V196 HydrophobicContact CD2-CG2 3.71Å; W192-V196 HydrophobicContact CE3-CG2 4.06Å; W192-V196 HydrophobicContact CG-CB 4.3Å; W192-V196 HydrophobicContact CG-CG2 4.05Å; W192-V196 HydrophobicContact CH2-CG2 4.47Å; W192-V196 HydrophobicContact CZ2-CG1 4.31Å; W192-V196 HydrophobicContact CZ2-CG2 4.16Å; W192-V196 HydrophobicContact CZ3-CG2 4.42Å; W192-V196 WeakPolarHBondContact O-CA 3.14Å; W192-V196 WeakPolarHBondContact O-CB 3.25Å; W192-V196 PolarHBondContact O-N 2.93Å; W192-N197 PolarHBondContact O-N 3.03Å; W192-M227 HydrophobicContact CE3-SD 3.62Å; W192-M227 HydrophobicContact CZ3-SD 3.9Å; W192-W231 HydrophobicContact CE3-CH2 4.42Å; W192-W231 HydrophobicContact CH2-CH2 4.1Å; W192-W231 AromaticContact CH2-CZ2 3.94Å; W192-W231 HydrophobicContact CH2-CZ2 3.94Å; W192-W231 AromaticContact CZ3-CH2 3.85Å; W192-W231 HydrophobicContact CZ3-CH2 3.85Å; W192-W231 AromaticContact CZ3-CZ2 3.7Å; W192-W231 HydrophobicContact CZ3-CZ2 3.7Å; W192-A352 HydrophobicContact CD2-CB 4.17Å; W192-A352 HydrophobicContact CG-CB 4.05Å; W192-E355 HydrophobicContact CH2-CB 3.97Å; W192-E355 HydrophobicContact CH2-CG 4.46Å; W192-E355 WeakPolarHBondContact CH2-OE2 3.17Å; W192-I356 HydrophobicContact CD2-CD1 4.41Å; W192-I356 HydrophobicContact CE3-CD1 3.93Å; W192-I356 HydrophobicContact CE3-CG1 3.9Å; W192-I356 HydrophobicContact CZ3-CG1 4.08Å
193	S	97.6	Very high	97.7	Very high	11 Å²	11	23.6 Å²	23.6	8%	0.077	13%	0.133	C	C	.	.	I	π-helix	trans	-61.1	-37.9	177.4	-173.8	0	0	0	0	112.6	T189 T190 N197 T198 F345	T189-S193 VanDerWaalsContact O-CB 3.25Å; T189-S193 WeakPolarHBondContact O-CB 3.29Å; T189-S193 PolarHBondContact O-N 2.82Å; T190-S193 PolarHBondContact O-N 3.36Å; S193-N197 WeakPolarHBondContact O-CB 3.43Å; S193-T198 WeakPolarHBondContact O-CB 3.34Å; S193-T198 PolarHBondContact O-N 3.13Å; S193-T198 PolarHBondContact O-OG1 2.77Å; S193-F345 WeakPolarHBondContact CB-O 3.31Å; S193-F345 PolarHBondContact OG-O 3.27Å
194	A	98.1	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	I	π-helix	trans	-72.6	-45.3	176.8	0	0	0	0	0	113.3	T190 A191 W192 T198 G199 L277 V301 L303	T190-A194 PolarHBondContact O-N 3.3Å; A191-A194 PolarHBondContact O-N 2.9Å; W192-A194 VanDerWaalsContact C-N 3.29Å; W192-A194 PolarHBondContact O-N 2.98Å; A194-T198 WeakPolarHBondContact O-CB 3.4Å; A194-G199 WeakPolarHBondContact O-CA 3.07Å; A194-G199 PolarHBondContact O-N 3.4Å; A194-L277 HydrophobicContact CB-CD1 3.66Å; A194-V301 HydrophobicContact CB-CG1 3.87Å; A194-L303 HydrophobicContact CB-CD2 3.96Å; A194-L303 HydrophobicContact CB-CG 4.44Å
195	L	98.3	Very high	97.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-86.6	-43.1	-172.6	-66	169.9	0	0	0	112.6	A191 W192 G199 G200 L201 A224 M227 L228 L275 L277	A191-L195 HydrophobicContact CB-CD1 4.49Å; A191-L195 VanDerWaalsContact O-CB 3.28Å; A191-L195 WeakPolarHBondContact O-CB 3.47Å; A191-L195 WeakPolarHBondContact O-CG 3.21Å; A191-L195 PolarHBondContact O-N 3.32Å; W192-L195 PolarHBondContact O-N 3.31Å; L195-G199 CarbonylContact O-C 3.59Å; L195-G199 VanDerWaalsContact O-C 3.25Å; L195-G199 WeakPolarHBondContact O-CA 3.27Å; L195-G199 PolarHBondContact O-N 3.34Å; L195-G200 PolarHBondContact O-N 3.46Å; L195-L201 HydrophobicContact CB-CD1 4.34Å; L195-L201 HydrophobicContact CD2-CD1 4.09Å; L195-L201 WeakPolarHBondContact O-CB 3.02Å; L195-L201 PolarHBondContact O-N 3.16Å; L195-A224 HydrophobicContact CD1-CB 3.92Å; L195-M227 HydrophobicContact CB-CE 4.03Å; L195-M227 HydrophobicContact CD1-CE 3.46Å; L195-M227 VanDerWaalsContact CD1-CE 3.46Å; L195-M227 HydrophobicContact CG-CE 4.39Å; L195-L228 HydrophobicContact CD1-CD1 4.06Å; L195-L228 HydrophobicContact CD1-CD2 4.25Å; L195-L228 HydrophobicContact CD1-CG 4.14Å; L195-L228 HydrophobicContact CD2-CD1 4.34Å; L195-L275 HydrophobicContact CD2-CD2 3.56Å; L195-L277 HydrophobicContact CD1-CD2 4.28Å; L195-L277 HydrophobicContact CD2-CB 4.22Å; L195-L277 HydrophobicContact CD2-CD2 4.21Å; L195-L277 HydrophobicContact CG-CD2 4.3Å
196	V	97.8	Very high	97.5	Very high	29 Å²	29	32.9 Å²	32.9	18%	0.176	18%	0.182	C	C	.	.	I	π-helix	trans	-87.9	-67.9	-178	-174.7	0	0	0	0	110.3	W192 T198 G200 L201 W231	W192-V196 HydrophobicContact CD2-CB 4.31Å; W192-V196 HydrophobicContact CD2-CG2 3.71Å; W192-V196 HydrophobicContact CE3-CG2 4.06Å; W192-V196 HydrophobicContact CG-CB 4.3Å; W192-V196 HydrophobicContact CG-CG2 4.05Å; W192-V196 HydrophobicContact CH2-CG2 4.47Å; W192-V196 HydrophobicContact CZ2-CG1 4.31Å; W192-V196 HydrophobicContact CZ2-CG2 4.16Å; W192-V196 HydrophobicContact CZ3-CG2 4.42Å; W192-V196 WeakPolarHBondContact O-CA 3.14Å; W192-V196 WeakPolarHBondContact O-CB 3.25Å; W192-V196 PolarHBondContact O-N 2.93Å; V196-T198 PolarHBondContact O-N 3.3Å; V196-G200 WeakPolarHBondContact O-CA 3.18Å; V196-G200 PolarHBondContact O-N 2.86Å; V196-L201 WeakPolarHBondContact CA-O 3.37Å; V196-W231 HydrophobicContact CG2-CH2 3.59Å; V196-W231 HydrophobicContact CG2-CZ3 3.97Å
197	N	96.9	Very high	97.4	Very high	104 Å²	104	34.3 Å²	34.3	56%	0.556	20%	0.2	S	C	*	.	I	π-helix	trans	-65.2	-40.7	-171	-56.9	-12.8	0	0	0	112.2	W192 S193	W192-N197 PolarHBondContact O-N 3.03Å; S193-N197 WeakPolarHBondContact O-CB 3.43Å
198	T	97.2	Very high	97.2	Very high	33 Å²	33	40.7 Å²	40.7	20%	0.202	23%	0.234	C	C	.	.	I	π-helix	trans	-94.9	-48.2	-178.2	-49.9	0	0	0	0	111.7	S193 A194 V196 G200 K299 V301 R342	S193-T198 WeakPolarHBondContact O-CB 3.34Å; S193-T198 PolarHBondContact O-N 3.13Å; S193-T198 PolarHBondContact O-OG1 2.77Å; A194-T198 WeakPolarHBondContact O-CB 3.4Å; V196-T198 PolarHBondContact O-N 3.3Å; T198-G200 VanDerWaalsContact C-N 3.33Å; T198-G200 PolarHBondContact O-N 2.86Å; T198-K299 PolarHBondContact O-NZ 3.26Å; T198-K299 VanDerWaalsContact O-NZ 3.16Å; T198-V301 HydrophobicContact CG2-CG1 3.87Å; T198-V301 HydrophobicContact CG2-CG2 4.15Å; T198-R342 HydrophobicContact CG2-CB 3.51Å; T198-R342 HydrophobicContact CG2-CG 4.02Å
199	G	97	Very high	97.2	Very high	6 Å²	6	43.4 Å²	43.4	6%	0.062	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-26.5	179.7	0	0	0	0	0	113.7	A194 L195 K299	A194-G199 WeakPolarHBondContact O-CA 3.07Å; A194-G199 PolarHBondContact O-N 3.4Å; L195-G199 CarbonylContact O-C 3.59Å; L195-G199 VanDerWaalsContact O-C 3.25Å; L195-G199 WeakPolarHBondContact O-CA 3.27Å; L195-G199 PolarHBondContact O-N 3.34Å; G199-K299 WeakPolarHBondContact O-CD 3.47Å; G199-K299 WeakPolarHBondContact O-CE 3.33Å; G199-K299 PolarHBondContact O-NZ 2.71Å
200	G	97.2	Very high	97.3	Very high	37 Å²	37	44.8 Å²	44.8	38%	0.381	25%	0.251	S	S	.	.			trans	69.1	21.2	-176.3	0	0	0	0	0	113.4	L195 V196 T198 N205	L195-G200 PolarHBondContact O-N 3.46Å; V196-G200 WeakPolarHBondContact O-CA 3.18Å; V196-G200 PolarHBondContact O-N 2.86Å; T198-G200 VanDerWaalsContact C-N 3.33Å; T198-G200 PolarHBondContact O-N 2.86Å; G200-N205 PolarHBondContact O-ND2 2.9Å
201	L	97.7	Very high	97.3	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.031	25%	0.247	C	C	.	.			trans	-79.3	142.6	171.6	-58.3	179.9	0	0	0	109.9	L195 V196 N205 K209 I211 L228 W231 L275	L195-L201 HydrophobicContact CB-CD1 4.34Å; L195-L201 HydrophobicContact CD2-CD1 4.09Å; L195-L201 WeakPolarHBondContact O-CB 3.02Å; L195-L201 PolarHBondContact O-N 3.16Å; V196-L201 WeakPolarHBondContact CA-O 3.37Å; L201-N205 WeakPolarHBondContact CA-OD1 3.39Å; L201-K209 HydrophobicContact CD2-CD 3.7Å; L201-I211 HydrophobicContact CD1-CD1 3.9Å; L201-I211 HydrophobicContact CD2-CD1 4.42Å; L201-L228 HydrophobicContact CD1-CD2 3.72Å; L201-W231 HydrophobicContact CB-CZ3 4.44Å; L201-L275 HydrophobicContact CD1-CD1 4.08Å; L201-L275 HydrophobicContact CG-CD1 4.18Å
202	S	96.9	Very high	97.4	Very high	37 Å²	37	44.2 Å²	44.2	26%	0.259	25%	0.247	S	C	.	.			trans	-141.3	164.4	168.7	71.4	0	0	0	0	109.3	D204 N205 C206	S202-D204 PolarHBondContact O-N 2.94Å; S202-D204 VanDerWaalsContact O-N 3.11Å; S202-D204 PolarHBondContact OG-N 2.69Å; S202-N205 PolarHBondContact N-ND2 2.77Å; S202-N205 PolarHBondContact N-OD1 2.82Å; S202-N205 PolarHBondContact O-N 3.45Å; S202-N205 PolarHBondContact OG-ND2 2.91Å; S202-C206 VanDerWaalsContact O-CB 3.31Å; S202-C206 WeakPolarHBondContact O-CB 3.26Å; S202-C206 PolarHBondContact O-N 3.31Å
203	K	95.5	Very high	97.4	Very high	152 Å²	152	43.4 Å²	43.4	66%	0.661	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.5	-40.7	172.1	-177.8	177.5	175.7	179.8	0	112.8	N205 W231	K203-N205 PolarHBondContact O-N 3.43Å; K203-W231 HydrophobicContact CB-CD2 4.38Å; K203-W231 HydrophobicContact CB-CG 4.26Å
204	D	96.9	Very high	97.4	Very high	147 Å²	147	43 Å²	43	79%	0.786	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.3	-176.2	-39.5	-66.8	0	0	0	114	S202	S202-D204 PolarHBondContact O-N 2.94Å; S202-D204 VanDerWaalsContact O-N 3.11Å; S202-D204 PolarHBondContact OG-N 2.69Å
205	N	97.1	Very high	97.3	Very high	59 Å²	59	43.6 Å²	43.6	32%	0.316	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121	-1.9	-173.9	87.5	41.1	0	0	0	114.6	G200 L201 S202 K203 K209	G200-N205 PolarHBondContact O-ND2 2.9Å; L201-N205 WeakPolarHBondContact CA-OD1 3.39Å; S202-N205 PolarHBondContact N-ND2 2.77Å; S202-N205 PolarHBondContact N-OD1 2.82Å; S202-N205 PolarHBondContact O-N 3.45Å; S202-N205 PolarHBondContact OG-ND2 2.91Å; K203-N205 PolarHBondContact O-N 3.43Å; N205-K209 VanDerWaalsContact O-CD 3.26Å; N205-K209 WeakPolarHBondContact O-CD 3.47Å; N205-K209 WeakPolarHBondContact O-CE 3.41Å; N205-K209 PolarHBondContact O-NZ 3.07Å; N205-K209 PolarHBondContact OD1-NZ 2.82Å
206	C	96.6	Very high	97.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.248	C	C	.	.			trans	-88.8	-18.5	-175.5	-150.2	0	0	0	0	114.3	S202 N208 K209 W231	S202-C206 VanDerWaalsContact O-CB 3.31Å; S202-C206 WeakPolarHBondContact O-CB 3.26Å; S202-C206 PolarHBondContact O-N 3.31Å; C206-N208 PolarHBondContact O-N 3.07Å; C206-K209 WeakPolarHBondContact O-CB 3.43Å; C206-K209 PolarHBondContact O-N 3.3Å; C206-W231 CarbonylContact C-O 3.55Å; C206-W231 HydrophobicContact CB-CB 3.71Å; C206-W231 HydrophobicContact CB-CE3 4.1Å
207	A	96.8	Very high	97	Very high	59 Å²	59	42.8 Å²	42.8	49%	0.488	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	130.6	-178.5	0	0	0	0	0	111.7	K209 W231	A207-K209 PolarHBondContact O-N 3.21Å; A207-W231 PolarHBondContact N-O 3.36Å
208	N	94.3	Very high	96.8	Very high	145 Å²	145	39 Å²	39	78%	0.775	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	3.8	-177.2	-51.7	-51.9	0	0	0	116.3	C206 G232	C206-N208 PolarHBondContact O-N 3.07Å; N208-G232 PolarHBondContact N-O 3.38Å
209	K	98.3	Very high	96.7	Very high	57 Å²	57	37.9 Å²	37.9	25%	0.248	22%	0.224	C	C	.	.			trans	-69.5	140	171.6	-74.1	-173.6	176.2	159.4	0	110.8	L201 N205 C206 A207 I211 H234 D274	L201-K209 HydrophobicContact CD2-CD 3.7Å; N205-K209 VanDerWaalsContact O-CD 3.26Å; N205-K209 WeakPolarHBondContact O-CD 3.47Å; N205-K209 WeakPolarHBondContact O-CE 3.41Å; N205-K209 PolarHBondContact O-NZ 3.07Å; N205-K209 PolarHBondContact OD1-NZ 2.82Å; C206-K209 WeakPolarHBondContact O-CB 3.43Å; C206-K209 PolarHBondContact O-N 3.3Å; A207-K209 PolarHBondContact O-N 3.21Å; K209-I211 HydrophobicContact CB-CD1 3.93Å; K209-H234 PolarHBondContact O-N 3.47Å; K209-D274 HydrophobicContact CB-CB 4.16Å; K209-D274 HydrophobicContact CD-CB 4.32Å; K209-D274 HydrophobicContact CG-CB 4.24Å
210	R	98.8	Very high	96.7	Very high	30 Å²	30	38.9 Å²	38.9	11%	0.113	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.1	177.1	-60.5	-177.1	65	83.2	12.9	109	H234 E271 F273 D274 L275	R210-H234 WeakPolarHBondContact CA-O 3.4Å; R210-E271 WeakPolarHBondContact CD-OE2 3.31Å; R210-E271 IonicContact CZ-OE2 3.7Å; R210-E271 VanDerWaalsContact CZ-OE2 3.32Å; R210-E271 PolarHBondContact NE-O 2.8Å; R210-E271 IonicContact NE-OE2 2.86Å; R210-E271 PolarHBondContact NE-OE2 2.98Å; R210-E271 IonicContact NH1-OE2 2.73Å; R210-E271 PolarHBondContact NH1-OE2 3.18Å; R210-F273 HydrophobicContact CB-CD1 4Å; R210-F273 WeakPolarHBondContact O-CA 3.43Å; R210-D274 PolarHBondContact N-OD2 2.82Å; R210-D274 PolarHBondContact O-N 2.81Å; R210-L275 PolarHBondContact O-N 2.98Å
211	I	98.8	Very high	96.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.7	-177.3	-42.2	-65.2	0	0	0	109.5	L201 K209 L228 A233 H234 V235 T236 L275	L201-I211 HydrophobicContact CD1-CD1 3.9Å; L201-I211 HydrophobicContact CD2-CD1 4.42Å; K209-I211 HydrophobicContact CB-CD1 3.93Å; I211-L228 HydrophobicContact CB-CD1 4.07Å; I211-L228 HydrophobicContact CG1-CD1 4.26Å; I211-L228 HydrophobicContact CG1-CD2 4.29Å; I211-L228 HydrophobicContact CG2-CD1 3.65Å; I211-A233 HydrophobicContact CG1-CB 4Å; I211-H234 PolarHBondContact N-O 3.41Å; I211-V235 WeakPolarHBondContact O-CA 3.46Å; I211-T236 PolarHBondContact O-N 2.69Å; I211-L275 WeakPolarHBondContact CA-O 3.34Å; I211-L275 HydrophobicContact CD1-CB 3.92Å; I211-L275 HydrophobicContact CG2-CB 4.49Å; I211-L275 HydrophobicContact CG2-CD2 3.87Å
212	L	98.8	Very high	96.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.6	172.3	174.1	62.3	0	0	0	109.9	L214 T236 L267 F273 L275 I276 L277 L291	L212-L214 HydrophobicContact CD1-CD2 4.15Å; L212-L214 HydrophobicContact CD2-CD2 3.9Å; L212-L214 HydrophobicContact CG-CD2 3.92Å; L212-L214 HydrophobicContact CG-CG 4.49Å; L212-T236 CarbonylContact C-O 3.57Å; L212-T236 VanDerWaalsContact CA-O 3.31Å; L212-T236 WeakPolarHBondContact CA-O 3.18Å; L212-T236 HydrophobicContact CD1-CG2 3.78Å; L212-L267 HydrophobicContact CD1-CD1 4.38Å; L212-L267 HydrophobicContact CD1-CD2 3.72Å; L212-L267 HydrophobicContact CD2-CD1 4.14Å; L212-L267 HydrophobicContact CD2-CD2 4.34Å; L212-F273 HydrophobicContact CB-CD1 3.75Å; L212-F273 HydrophobicContact CB-CD2 4Å; L212-F273 HydrophobicContact CB-CE1 3.89Å; L212-F273 HydrophobicContact CB-CE2 4.15Å; L212-F273 HydrophobicContact CB-CG 3.81Å; L212-F273 HydrophobicContact CB-CZ 4.09Å; L212-F273 HydrophobicContact CD1-CZ 4.4Å; L212-F273 HydrophobicContact CD2-CD2 4.06Å; L212-F273 HydrophobicContact CD2-CE2 3.89Å; L212-F273 HydrophobicContact CD2-CZ 4.37Å; L212-F273 HydrophobicContact CG-CE2 4.48Å; L212-L275 PolarHBondContact N-O 3.22Å; L212-I276 HydrophobicContact CB-CG1 4.07Å; L212-I276 HydrophobicContact CB-CG2 4.41Å; L212-I276 HydrophobicContact CD2-CD1 4.23Å; L212-I276 HydrophobicContact CD2-CG1 4.16Å; L212-I276 HydrophobicContact CD2-CG2 4.21Å; L212-I276 HydrophobicContact CG-CG2 4.31Å; L212-I276 CarbonylContact O-C 3.53Å; L212-I276 WeakPolarHBondContact O-CA 3.37Å; L212-L277 PolarHBondContact O-N 2.76Å; L212-L291 HydrophobicContact CD2-CD1 3.88Å
213	I	98.7	Very high	96.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	111.5	173.3	-52.6	168.8	0	0	0	108.7	A224 I225 L228 V235 T236 V237 T238 L277 N279	I213-A224 HydrophobicContact CD1-CB 3.86Å; I213-I225 HydrophobicContact CD1-CB 4.49Å; I213-I225 HydrophobicContact CD1-CG1 3.69Å; I213-L228 HydrophobicContact CD1-CD1 4.14Å; I213-L228 HydrophobicContact CG1-CD1 4.5Å; I213-V235 HydrophobicContact CD1-CG1 3.72Å; I213-V235 HydrophobicContact CG1-CG1 4.35Å; I213-T236 PolarHBondContact N-O 3.39Å; I213-V237 HydrophobicContact CB-CB 4.5Å; I213-V237 HydrophobicContact CB-CG1 4.02Å; I213-V237 HydrophobicContact CD1-CG1 4.12Å; I213-V237 HydrophobicContact CG1-CG1 4.41Å; I213-V237 VanDerWaalsContact O-CA 3.31Å; I213-V237 WeakPolarHBondContact O-CA 3.48Å; I213-T238 PolarHBondContact O-N 3.31Å; I213-L277 HydrophobicContact CG2-CD2 4.31Å; I213-N279 WeakPolarHBondContact CG2-ND2 3.37Å
214	L	98.1	Very high	96.9	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	119.8	171.9	-54.8	-179.1	0	0	0	108.7	L212 T238 I276 L277 D278 N279 I280 T284 W287 A288	L212-L214 HydrophobicContact CD1-CD2 4.15Å; L212-L214 HydrophobicContact CD2-CD2 3.9Å; L212-L214 HydrophobicContact CG-CD2 3.92Å; L212-L214 HydrophobicContact CG-CG 4.49Å; L214-T238 WeakPolarHBondContact CA-OG1 3.49Å; L214-T238 HydrophobicContact CD2-CG2 3.74Å; L214-I276 HydrophobicContact CD1-CG2 4.24Å; L214-I276 HydrophobicContact CG-CG2 4.23Å; L214-L277 PolarHBondContact N-O 3.4Å; L214-D278 HydrophobicContact CD1-CB 4.17Å; L214-N279 WeakPolarHBondContact O-CB 3.43Å; L214-N279 PolarHBondContact O-N 2.84Å; L214-N279 PolarHBondContact O-ND2 2.93Å; L214-I280 HydrophobicContact CB-CG1 4.21Å; L214-T284 HydrophobicContact CD1-CG2 3.83Å; L214-W287 HydrophobicContact CD1-CH2 4.19Å; L214-W287 HydrophobicContact CD2-CH2 3.88Å; L214-A288 HydrophobicContact CD1-CB 4.04Å
215	G	95.2	Very high	97	Very high	13 Å²	13	21.4 Å²	21.4	13%	0.134	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	50.2	-175.7	0	0	0	0	0	114.6	S217 T238	G215-S217 VanDerWaalsContact C-N 3.31Å; G215-S217 PolarHBondContact O-N 3.16Å; G215-T238 CarbonylContact C-O 3.58Å; G215-T238 WeakPolarHBondContact CA-O 3.39Å; G215-T238 PolarHBondContact N-O 2.87Å; G215-T238 PolarHBondContact N-OG1 3.26Å; G215-T238 VanDerWaalsContact N-OG1 3.1Å
216	G	94.9	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.7	-173.5	0	0	0	0	0	116.8	G221 T222 T238	G216-G221 CarbonylContact O-C 3.53Å; G216-G221 WeakPolarHBondContact O-CA 3.49Å; G216-T222 PolarHBondContact O-N 3.26Å; G216-T238 PolarHBondContact N-O 3.19Å
217	S	94.6	Very high	97.2	Very high	12 Å²	12	19 Å²	19	8%	0.084	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-10.9	-172.7	63.9	0	0	0	0	115.8	G215 T222 R391 G392	G215-S217 VanDerWaalsContact C-N 3.31Å; G215-S217 PolarHBondContact O-N 3.16Å; S217-T222 WeakPolarHBondContact O-CG2 3.5Å; S217-R391 PolarHBondContact OG-NH1 3.49Å; S217-G392 PolarHBondContact O-N 2.99Å
218	G	93.6	Very high	97.3	Very high	24 Å²	24	16.2 Å²	16.2	25%	0.247	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-85.4	170.4	175.4	0	0	0	0	0	112.5	V220 G221 T222	G218-V220 PolarHBondContact O-N 2.87Å; G218-G221 WeakPolarHBondContact O-CA 3.17Å; G218-G221 PolarHBondContact O-N 2.83Å; G218-T222 WeakPolarHBondContact O-CG2 3.26Å; G218-T222 PolarHBondContact O-N 2.89Å; G218-T222 PolarHBondContact O-OG1 3.23Å
219	G	94.7	Very high	97.5	Very high	10 Å²	10	12.2 Å²	12.2	10%	0.103	7%	0.07	C	C	.	.	H	α-helix	trans	-49.4	-46.6	-173.2	0	0	0	0	0	115.8	T222 F223	G219-T222 WeakPolarHBondContact CA-OG1 3.38Å; G219-T222 PolarHBondContact O-OG1 3.44Å; G219-F223 PolarHBondContact O-N 2.97Å
220	V	97.2	Very high	97.4	Very high	26 Å²	26	11.2 Å²	11.2	16%	0.158	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-46.4	176.1	179	0	0	0	0	111.4	V187 T190 A191 G218 F223 A224 L277 N279 L303	V187-V220 HydrophobicContact CB-CG2 4Å; V187-V220 HydrophobicContact CG1-CG2 4.01Å; T190-V220 HydrophobicContact CG2-CG2 4.28Å; A191-V220 HydrophobicContact CB-CG1 4.06Å; G218-V220 PolarHBondContact O-N 2.87Å; V220-F223 PolarHBondContact O-N 3.41Å; V220-A224 VanDerWaalsContact O-CB 3.24Å; V220-A224 WeakPolarHBondContact O-CB 3.03Å; V220-A224 PolarHBondContact O-N 2.86Å; V220-L277 HydrophobicContact CG1-CD2 4.44Å; V220-N279 VanDerWaalsContact CG1-OD1 3.26Å; V220-N279 WeakPolarHBondContact CG1-OD1 3.21Å; V220-L303 HydrophobicContact CG1-CD1 3.81Å; V220-L303 HydrophobicContact CG2-CD1 4.47Å
221	G	97.5	Very high	97.4	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-61.7	-46.2	179.2	0	0	0	0	0	112.7	G216 G218 F223 A224 I225	G216-G221 CarbonylContact O-C 3.53Å; G216-G221 WeakPolarHBondContact O-CA 3.49Å; G218-G221 WeakPolarHBondContact O-CA 3.17Å; G218-G221 PolarHBondContact O-N 2.83Å; G221-F223 VanDerWaalsContact C-N 3.28Å; G221-F223 PolarHBondContact O-N 2.81Å; G221-A224 PolarHBondContact O-N 3.32Å; G221-I225 VanDerWaalsContact O-CG1 3.26Å; G221-I225 WeakPolarHBondContact O-CG1 3.09Å; G221-I225 PolarHBondContact O-N 3.03Å
222	T	97.8	Very high	97.4	Very high	5 Å²	5	12.5 Å²	12.5	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-65.1	-30.9	-179.4	53	0	0	0	0	113.3	G216 S217 G218 G219 Q226 F246 L250	G216-T222 PolarHBondContact O-N 3.26Å; S217-T222 WeakPolarHBondContact O-CG2 3.5Å; G218-T222 WeakPolarHBondContact O-CG2 3.26Å; G218-T222 PolarHBondContact O-N 2.89Å; G218-T222 PolarHBondContact O-OG1 3.23Å; G219-T222 WeakPolarHBondContact CA-OG1 3.38Å; G219-T222 PolarHBondContact O-OG1 3.44Å; T222-Q226 PolarHBondContact O-NE2 2.98Å; T222-F246 HydrophobicContact CG2-CE1 3.57Å; T222-F246 HydrophobicContact CG2-CZ 3.62Å; T222-L250 HydrophobicContact CG2-CD1 3.63Å
223	F	98.3	Very high	97.4	Very high	7 Å²	7	12.6 Å²	12.6	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-74.7	-49.1	171.3	176	-86.9	0	0	0	111.2	I184 A188 A191 G219 V220 G221 I225 Q226 M227 I356 I365	I184-F223 HydrophobicContact CG2-CD2 4.35Å; I184-F223 HydrophobicContact CG2-CE2 4.27Å; A188-F223 HydrophobicContact CB-CD1 4.26Å; A188-F223 HydrophobicContact CB-CD2 3.68Å; A188-F223 HydrophobicContact CB-CE1 3.98Å; A188-F223 HydrophobicContact CB-CE2 3.35Å; A188-F223 HydrophobicContact CB-CG 4.13Å; A188-F223 HydrophobicContact CB-CZ 3.53Å; A191-F223 HydrophobicContact CB-CD1 3.47Å; A191-F223 VanDerWaalsContact CB-CD1 3.47Å; A191-F223 HydrophobicContact CB-CE1 3.85Å; G219-F223 PolarHBondContact O-N 2.97Å; V220-F223 PolarHBondContact O-N 3.41Å; G221-F223 VanDerWaalsContact C-N 3.28Å; G221-F223 PolarHBondContact O-N 2.81Å; F223-I225 VanDerWaalsContact C-N 3.33Å; F223-I225 PolarHBondContact O-N 2.94Å; F223-Q226 PolarHBondContact O-N 3.16Å; F223-Q226 VanDerWaalsContact O-N 3.16Å; F223-M227 HydrophobicContact CE1-CB 4.12Å; F223-M227 HydrophobicContact CE1-CE 4.47Å; F223-M227 HydrophobicContact CE1-CG 4.43Å; F223-M227 HydrophobicContact CE1-SD 3.63Å; F223-M227 HydrophobicContact CZ-CB 4.4Å; F223-M227 HydrophobicContact CZ-SD 4.01Å; F223-M227 PolarHBondContact O-N 3.13Å; F223-I356 HydrophobicContact CE2-CG1 4.48Å; F223-I356 HydrophobicContact CE2-CG2 3.71Å; F223-I356 HydrophobicContact CZ-CD1 3.9Å; F223-I356 HydrophobicContact CZ-CG1 3.92Å; F223-I356 HydrophobicContact CZ-CG2 4.01Å; F223-I365 HydrophobicContact CD2-CD1 4.41Å; F223-I365 HydrophobicContact CD2-CG2 4.02Å; F223-I365 HydrophobicContact CE2-CD1 3.64Å; F223-I365 HydrophobicContact CE2-CG2 4.07Å; F223-I365 HydrophobicContact CZ-CD1 3.91Å
224	A	98.5	Very high	97.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-39.4	-177.3	0	0	0	0	0	112.9	A191 L195 I213 V220 G221 L228 L277	A191-A224 HydrophobicContact CB-CB 4.42Å; L195-A224 HydrophobicContact CD1-CB 3.92Å; I213-A224 HydrophobicContact CD1-CB 3.86Å; V220-A224 VanDerWaalsContact O-CB 3.24Å; V220-A224 WeakPolarHBondContact O-CB 3.03Å; V220-A224 PolarHBondContact O-N 2.86Å; G221-A224 PolarHBondContact O-N 3.32Å; A224-L228 VanDerWaalsContact O-CB 3.3Å; A224-L228 WeakPolarHBondContact O-CB 3.14Å; A224-L228 WeakPolarHBondContact O-CD1 3.35Å; A224-L228 WeakPolarHBondContact O-CG 3.44Å; A224-L228 PolarHBondContact O-N 3.45Å; A224-L277 HydrophobicContact CB-CD2 3.92Å
225	I	98.8	Very high	97.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-55.2	-57.2	173.6	-65	160	0	0	0	109.9	I213 G221 F223 M227 L228 K229 V235 V237 V247 L250 A252	I213-I225 HydrophobicContact CD1-CB 4.49Å; I213-I225 HydrophobicContact CD1-CG1 3.69Å; G221-I225 VanDerWaalsContact O-CG1 3.26Å; G221-I225 WeakPolarHBondContact O-CG1 3.09Å; G221-I225 PolarHBondContact O-N 3.03Å; F223-I225 VanDerWaalsContact C-N 3.33Å; F223-I225 PolarHBondContact O-N 2.94Å; I225-M227 PolarHBondContact O-N 2.88Å; I225-L228 PolarHBondContact O-N 2.93Å; I225-K229 HydrophobicContact CG2-CG 4.31Å; I225-K229 WeakPolarHBondContact O-CB 3.36Å; I225-K229 VanDerWaalsContact O-CG 3.27Å; I225-K229 WeakPolarHBondContact O-CG 3.42Å; I225-K229 PolarHBondContact O-N 3.36Å; I225-V235 HydrophobicContact CG1-CG1 4.18Å; I225-V235 HydrophobicContact CG2-CG1 4.44Å; I225-V237 HydrophobicContact CD1-CG1 3.92Å; I225-V237 HydrophobicContact CG1-CG1 3.76Å; I225-V247 HydrophobicContact CD1-CB 3.99Å; I225-V247 HydrophobicContact CD1-CG1 4.15Å; I225-L250 HydrophobicContact CB-CB 4.45Å; I225-L250 HydrophobicContact CD1-CD1 4.41Å; I225-L250 HydrophobicContact CG2-CB 3.95Å; I225-L250 WeakPolarHBondContact CG2-O 3.19Å; I225-A252 HydrophobicContact CG2-CB 4.28Å
226	Q	98.7	Very high	97.6	Very high	8 Å²	8	14.9 Å²	14.9	4%	0.037	10%	0.096	C	C	.	.	H	α-helix	trans	-61.7	-45.2	-173.9	-66	179.9	100	0	0	111.9	T222 F223 K229 A230 L250 I365 R366	T222-Q226 PolarHBondContact O-NE2 2.98Å; F223-Q226 PolarHBondContact O-N 3.16Å; F223-Q226 VanDerWaalsContact O-N 3.16Å; Q226-K229 PolarHBondContact O-N 3.26Å; Q226-A230 WeakPolarHBondContact O-CB 3.47Å; Q226-A230 PolarHBondContact O-N 2.98Å; Q226-L250 HydrophobicContact CG-CB 4.09Å; Q226-L250 HydrophobicContact CG-CD2 4.27Å; Q226-I365 HydrophobicContact CB-CG1 4.19Å; Q226-R366 PolarHBondContact NE2-O 2.9Å; Q226-R366 VanDerWaalsContact NE2-O 3.07Å
227	M	98.4	Very high	97.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.6	-46.9	178.1	-172.6	-175.9	76.6	0	0	112.3	W192 L195 F223 I225 K229 A230 W231 M359 I365	W192-M227 HydrophobicContact CE3-SD 3.62Å; W192-M227 HydrophobicContact CZ3-SD 3.9Å; L195-M227 HydrophobicContact CB-CE 4.03Å; L195-M227 HydrophobicContact CD1-CE 3.46Å; L195-M227 VanDerWaalsContact CD1-CE 3.46Å; L195-M227 HydrophobicContact CG-CE 4.39Å; F223-M227 HydrophobicContact CE1-CB 4.12Å; F223-M227 HydrophobicContact CE1-CE 4.47Å; F223-M227 HydrophobicContact CE1-CG 4.43Å; F223-M227 HydrophobicContact CE1-SD 3.63Å; F223-M227 HydrophobicContact CZ-CB 4.4Å; F223-M227 HydrophobicContact CZ-SD 4.01Å; F223-M227 PolarHBondContact O-N 3.13Å; I225-M227 PolarHBondContact O-N 2.88Å; M227-K229 PolarHBondContact O-N 2.84Å; M227-A230 PolarHBondContact O-N 3.46Å; M227-W231 HydrophobicContact CE-CH2 3.99Å; M227-W231 HydrophobicContact CE-CZ3 4Å; M227-W231 HydrophobicContact CG-CD2 4.44Å; M227-W231 HydrophobicContact CG-CH2 4.16Å; M227-W231 HydrophobicContact CG-CZ2 3.93Å; M227-W231 PolarHBondContact O-N 2.94Å; M227-W231 HydrophobicContact SD-CH2 3.89Å; M227-W231 HydrophobicContact SD-CZ2 4.08Å; M227-W231 HydrophobicContact SD-CZ3 4.44Å; M227-M359 HydrophobicContact CB-CE 4.49Å; M227-M359 HydrophobicContact CG-CE 4.03Å; M227-M359 HydrophobicContact CG-SD 4.27Å; M227-I365 HydrophobicContact CB-CD1 4.18Å
228	L	98.6	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.4	-35.9	-179.7	-69.7	169.7	0	0	0	112.2	L195 L201 I211 I213 A224 I225 W231 G232 A233 V235	L195-L228 HydrophobicContact CD1-CD1 4.06Å; L195-L228 HydrophobicContact CD1-CD2 4.25Å; L195-L228 HydrophobicContact CD1-CG 4.14Å; L195-L228 HydrophobicContact CD2-CD1 4.34Å; L201-L228 HydrophobicContact CD1-CD2 3.72Å; I211-L228 HydrophobicContact CB-CD1 4.07Å; I211-L228 HydrophobicContact CG1-CD1 4.26Å; I211-L228 HydrophobicContact CG1-CD2 4.29Å; I211-L228 HydrophobicContact CG2-CD1 3.65Å; I213-L228 HydrophobicContact CD1-CD1 4.14Å; I213-L228 HydrophobicContact CG1-CD1 4.5Å; A224-L228 VanDerWaalsContact O-CB 3.3Å; A224-L228 WeakPolarHBondContact O-CB 3.14Å; A224-L228 WeakPolarHBondContact O-CD1 3.35Å; A224-L228 WeakPolarHBondContact O-CG 3.44Å; A224-L228 PolarHBondContact O-N 3.45Å; I225-L228 PolarHBondContact O-N 2.93Å; L228-W231 CarbonylContact O-C 3.57Å; L228-W231 PolarHBondContact O-N 3.26Å; L228-G232 PolarHBondContact O-N 3.41Å; L228-A233 HydrophobicContact CB-CB 4.04Å; L228-A233 VanDerWaalsContact O-CB 3.23Å; L228-A233 WeakPolarHBondContact O-CB 3.46Å; L228-A233 PolarHBondContact O-N 3.08Å; L228-V235 HydrophobicContact CB-CG2 3.64Å; L228-V235 HydrophobicContact CD1-CG2 4.32Å
229	K	98.4	Very high	98	Very high	62 Å²	62	13.6 Å²	13.6	27%	0.27	8%	0.083	S	C	.	.	H	α-helix	trans	-68.6	-38	174.1	-68	-54.3	-58.1	177	0	112.5	I225 Q226 M227 W231 G232 A233 V235 G251 D253	I225-K229 HydrophobicContact CG2-CG 4.31Å; I225-K229 WeakPolarHBondContact O-CB 3.36Å; I225-K229 VanDerWaalsContact O-CG 3.27Å; I225-K229 WeakPolarHBondContact O-CG 3.42Å; I225-K229 PolarHBondContact O-N 3.36Å; Q226-K229 PolarHBondContact O-N 3.26Å; M227-K229 PolarHBondContact O-N 2.84Å; K229-W231 PolarHBondContact O-N 3.06Å; K229-G232 PolarHBondContact O-N 3.16Å; K229-A233 WeakPolarHBondContact CD-O 3.11Å; K229-A233 PolarHBondContact NZ-O 3.26Å; K229-V235 HydrophobicContact CD-CB 3.94Å; K229-V235 HydrophobicContact CD-CG2 3.59Å; K229-V235 HydrophobicContact CG-CB 4.48Å; K229-V235 HydrophobicContact CG-CG2 4.03Å; K229-G251 WeakPolarHBondContact CD-O 3.46Å; K229-G251 VanDerWaalsContact CE-O 3.26Å; K229-G251 WeakPolarHBondContact CE-O 3.44Å; K229-G251 VanDerWaalsContact CG-O 3.26Å; K229-G251 WeakPolarHBondContact CG-O 3.43Å; K229-D253 IonicContact NZ-OD1 2.71Å; K229-D253 PolarHBondContact NZ-OD1 2.89Å; K229-D253 IonicContact NZ-OD2 2.74Å; K229-D253 PolarHBondContact NZ-OD2 3.05Å
230	A	98	Very high	98	Very high	35 Å²	35	13.5 Å²	13.5	29%	0.289	8%	0.081	S	C	.	.	H	α-helix	trans	-62.7	-24	172.6	0	0	0	0	0	113.1	Q226 M227 M359 Q364	Q226-A230 WeakPolarHBondContact O-CB 3.47Å; Q226-A230 PolarHBondContact O-N 2.98Å; M227-A230 PolarHBondContact O-N 3.46Å; A230-M359 HydrophobicContact CB-CE 3.42Å; A230-M359 VanDerWaalsContact CB-CE 3.42Å; A230-Q364 HydrophobicContact CB-CB 3.94Å; A230-Q364 HydrophobicContact CB-CG 4.44Å
231	W	98.2	Very high	97.8	Very high	20 Å²	20	17.9 Å²	17.9	8%	0.076	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	13.7	172.8	-57.2	-13.2	0	0	0	113.9	W192 V196 L201 K203 C206 A207 M227 L228 K229 A233 M359	W192-W231 HydrophobicContact CE3-CH2 4.42Å; W192-W231 HydrophobicContact CH2-CH2 4.1Å; W192-W231 AromaticContact CH2-CZ2 3.94Å; W192-W231 HydrophobicContact CH2-CZ2 3.94Å; W192-W231 AromaticContact CZ3-CH2 3.85Å; W192-W231 HydrophobicContact CZ3-CH2 3.85Å; W192-W231 AromaticContact CZ3-CZ2 3.7Å; W192-W231 HydrophobicContact CZ3-CZ2 3.7Å; V196-W231 HydrophobicContact CG2-CH2 3.59Å; V196-W231 HydrophobicContact CG2-CZ3 3.97Å; L201-W231 HydrophobicContact CB-CZ3 4.44Å; K203-W231 HydrophobicContact CB-CD2 4.38Å; K203-W231 HydrophobicContact CB-CG 4.26Å; C206-W231 CarbonylContact C-O 3.55Å; C206-W231 HydrophobicContact CB-CB 3.71Å; C206-W231 HydrophobicContact CB-CE3 4.1Å; A207-W231 PolarHBondContact N-O 3.36Å; M227-W231 HydrophobicContact CE-CH2 3.99Å; M227-W231 HydrophobicContact CE-CZ3 4Å; M227-W231 HydrophobicContact CG-CD2 4.44Å; M227-W231 HydrophobicContact CG-CH2 4.16Å; M227-W231 HydrophobicContact CG-CZ2 3.93Å; M227-W231 PolarHBondContact O-N 2.94Å; M227-W231 HydrophobicContact SD-CH2 3.89Å; M227-W231 HydrophobicContact SD-CZ2 4.08Å; M227-W231 HydrophobicContact SD-CZ3 4.44Å; L228-W231 CarbonylContact O-C 3.57Å; L228-W231 PolarHBondContact O-N 3.26Å; K229-W231 PolarHBondContact O-N 3.06Å; W231-A233 PolarHBondContact O-N 3.34Å; W231-M359 HydrophobicContact CZ2-SD 4.49Å
232	G	98.1	Very high	97.6	Very high	37 Å²	37	23.9 Å²	23.9	38%	0.381	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	20.4	173	0	0	0	0	0	115.6	N208 L228 K229	N208-G232 PolarHBondContact N-O 3.38Å; L228-G232 PolarHBondContact O-N 3.41Å; K229-G232 PolarHBondContact O-N 3.16Å
233	A	98.6	Very high	97.5	Very high	2 Å²	2	23.6 Å²	23.6	2%	0.017	13%	0.13	C	C	.	.			trans	-73.3	158.8	174.1	0	0	0	0	0	112.5	I211 L228 K229 W231 V235	I211-A233 HydrophobicContact CG1-CB 4Å; L228-A233 HydrophobicContact CB-CB 4.04Å; L228-A233 VanDerWaalsContact O-CB 3.23Å; L228-A233 WeakPolarHBondContact O-CB 3.46Å; L228-A233 PolarHBondContact O-N 3.08Å; K229-A233 WeakPolarHBondContact CD-O 3.11Å; K229-A233 PolarHBondContact NZ-O 3.26Å; W231-A233 PolarHBondContact O-N 3.34Å; A233-V235 HydrophobicContact CB-CG2 4.22Å
234	H	98.6	Very high	97.4	Very high	63 Å²	63	26 Å²	26	29%	0.292	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114.6	162.6	-177.4	-64.4	0	0	0	108.8	K209 R210 I211 D253	K209-H234 PolarHBondContact O-N 3.47Å; R210-H234 WeakPolarHBondContact CA-O 3.4Å; I211-H234 PolarHBondContact N-O 3.41Å; H234-D253 WeakPolarHBondContact CA-OD2 3.47Å
235	V	98.8	Very high	97.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.9	-172	179.5	0	0	0	0	110.3	I211 I213 I225 L228 K229 A233 V237 D253 H254	I211-V235 WeakPolarHBondContact O-CA 3.46Å; I213-V235 HydrophobicContact CD1-CG1 3.72Å; I213-V235 HydrophobicContact CG1-CG1 4.35Å; I225-V235 HydrophobicContact CG1-CG1 4.18Å; I225-V235 HydrophobicContact CG2-CG1 4.44Å; L228-V235 HydrophobicContact CB-CG2 3.64Å; L228-V235 HydrophobicContact CD1-CG2 4.32Å; K229-V235 HydrophobicContact CD-CB 3.94Å; K229-V235 HydrophobicContact CD-CG2 3.59Å; K229-V235 HydrophobicContact CG-CB 4.48Å; K229-V235 HydrophobicContact CG-CG2 4.03Å; A233-V235 HydrophobicContact CB-CG2 4.22Å; V235-V237 HydrophobicContact CG1-CG1 3.74Å; V235-D253 PolarHBondContact N-OD2 2.95Å; V235-D253 PolarHBondContact O-N 2.83Å; V235-H254 PolarHBondContact O-N 3.49Å
236	T	98.8	Very high	97.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.2	165.4	-59.8	0	0	0	0	109.2	I211 L212 I213 H254 L267 L270 F273	I211-T236 PolarHBondContact O-N 2.69Å; L212-T236 CarbonylContact C-O 3.57Å; L212-T236 VanDerWaalsContact CA-O 3.31Å; L212-T236 WeakPolarHBondContact CA-O 3.18Å; L212-T236 HydrophobicContact CD1-CG2 3.78Å; I213-T236 PolarHBondContact N-O 3.39Å; T236-H254 CarbonylContact C-O 3.5Å; T236-H254 WeakPolarHBondContact CA-O 3.18Å; T236-H254 HydrophobicContact CG2-CB 4.12Å; T236-L267 HydrophobicContact CG2-CD2 3.8Å; T236-L270 HydrophobicContact CG2-CD1 4Å; T236-F273 HydrophobicContact CG2-CE1 4.4Å; T236-F273 HydrophobicContact CG2-CZ 4.22Å
237	V	98.4	Very high	97.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.9	176.6	-50.3	0	0	0	0	112.8	I213 I225 V235 V247 A252 H254 V255 V256	I213-V237 HydrophobicContact CB-CB 4.5Å; I213-V237 HydrophobicContact CB-CG1 4.02Å; I213-V237 HydrophobicContact CD1-CG1 4.12Å; I213-V237 HydrophobicContact CG1-CG1 4.41Å; I213-V237 VanDerWaalsContact O-CA 3.31Å; I213-V237 WeakPolarHBondContact O-CA 3.48Å; I225-V237 HydrophobicContact CD1-CG1 3.92Å; I225-V237 HydrophobicContact CG1-CG1 3.76Å; V235-V237 HydrophobicContact CG1-CG1 3.74Å; V237-V247 HydrophobicContact CG2-CB 4.14Å; V237-V247 HydrophobicContact CG2-CG2 3.69Å; V237-A252 HydrophobicContact CG1-CB 4.01Å; V237-A252 HydrophobicContact CG2-CB 3.96Å; V237-H254 PolarHBondContact N-O 2.69Å; V237-V255 HydrophobicContact CG2-CB 4.38Å; V237-V255 HydrophobicContact CG2-CG1 4.1Å; V237-V255 HydrophobicContact CG2-CG2 3.97Å; V237-V255 WeakPolarHBondContact O-CA 3.36Å; V237-V256 PolarHBondContact O-N 3.46Å
238	T	97.6	Very high	97.1	Very high	8 Å²	8	44.1 Å²	44.1	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.8	161.2	68.3	0	0	0	0	110.6	I213 L214 G215 G216 V256 V263 L267	I213-T238 PolarHBondContact O-N 3.31Å; L214-T238 WeakPolarHBondContact CA-OG1 3.49Å; L214-T238 HydrophobicContact CD2-CG2 3.74Å; G215-T238 CarbonylContact C-O 3.58Å; G215-T238 WeakPolarHBondContact CA-O 3.39Å; G215-T238 PolarHBondContact N-O 2.87Å; G215-T238 PolarHBondContact N-OG1 3.26Å; G215-T238 VanDerWaalsContact N-OG1 3.1Å; G216-T238 PolarHBondContact N-O 3.19Å; T238-V256 WeakPolarHBondContact CA-O 3.49Å; T238-V256 HydrophobicContact CG2-CB 4.37Å; T238-V263 HydrophobicContact CG2-CB 4.44Å; T238-V263 HydrophobicContact CG2-CG1 4.39Å; T238-L267 HydrophobicContact CG2-CD1 3.96Å
239	C	95.4	Very high	97	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	-179.7	171.4	69.5	0	0	0	0	110.1	A243 V255 V256 D257 Y258	C239-A243 HydrophobicContact CB-CB 4Å; C239-V255 WeakPolarHBondContact SG-CG1 3.44Å; C239-V256 PolarHBondContact N-O 3.03Å; C239-D257 WeakPolarHBondContact O-CA 3.4Å; C239-Y258 WeakPolarHBondContact O-CD1 3.47Å; C239-Y258 PolarHBondContact O-N 3.43Å
240	S	94.7	Very high	97	Very high	8 Å²	8	44.3 Å²	44.3	6%	0.056	23%	0.23	C	C	.	.			trans	-79.1	154	169	12.8	0	0	0	0	110.2	N242 A243 D257 Y258 R391	S240-N242 VanDerWaalsContact C-N 3.29Å; S240-N242 PolarHBondContact O-N 2.87Å; S240-A243 WeakPolarHBondContact O-CA 3.24Å; S240-A243 WeakPolarHBondContact O-CB 3.42Å; S240-A243 PolarHBondContact O-N 3.04Å; S240-D257 VanDerWaalsContact C-OD1 3.26Å; S240-D257 VanDerWaalsContact CA-OD1 3.3Å; S240-D257 WeakPolarHBondContact CA-OD1 3.38Å; S240-Y258 PolarHBondContact OG-OH 2.84Å; S240-Y258 VanDerWaalsContact OG-OH 3.09Å; S240-R391 PolarHBondContact OG-NH2 3.04Å
241	H	94	Very high	97	Very high	119 Å²	119	44 Å²	44	55%	0.551	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-48.6	-46.8	-178.7	-178.9	57.8	0	0	0	113.5	A243 E244 D257	H241-A243 PolarHBondContact O-N 3.01Å; H241-E244 IonicContact ND1-OE2 2.78Å; H241-E244 VanDerWaalsContact O-CB 3.26Å; H241-E244 WeakPolarHBondContact O-CB 3.24Å; H241-E244 PolarHBondContact O-N 3.02Å; H241-D257 PolarHBondContact N-OD1 3.04Å
242	N	93.5	Very high	97	Very high	126 Å²	126	43.3 Å²	43.3	67%	0.674	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-67.3	-6	179.5	71.3	-9.1	0	0	0	114.9	S240 R391	S240-N242 VanDerWaalsContact C-N 3.29Å; S240-N242 PolarHBondContact O-N 2.87Å; N242-R391 PolarHBondContact OD1-NH2 3.08Å
243	A	95	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-101.8	-7.9	172.4	0	0	0	0	0	113.4	C239 S240 H241 R245 F246 V247	C239-A243 HydrophobicContact CB-CB 4Å; S240-A243 WeakPolarHBondContact O-CA 3.24Å; S240-A243 WeakPolarHBondContact O-CB 3.42Å; S240-A243 PolarHBondContact O-N 3.04Å; H241-A243 PolarHBondContact O-N 3.01Å; A243-R245 PolarHBondContact O-N 2.72Å; A243-F246 WeakPolarHBondContact O-CB 3.34Å; A243-F246 PolarHBondContact O-N 3.3Å; A243-F246 VanDerWaalsContact O-N 3.1Å; A243-V247 PolarHBondContact O-N 3.07Å
244	E	95.5	Very high	97	Very high	56 Å²	56	48.4 Å²	48.4	26%	0.262	24%	0.244	S	C	.	.	H	α-helix	trans	-58.3	-52.9	-171.5	-173.8	-167.4	149	0	0	112.7	H241 F246 V247 K248 V255	H241-E244 IonicContact ND1-OE2 2.78Å; H241-E244 VanDerWaalsContact O-CB 3.26Å; H241-E244 WeakPolarHBondContact O-CB 3.24Å; H241-E244 PolarHBondContact O-N 3.02Å; E244-F246 PolarHBondContact O-N 2.83Å; E244-V247 WeakPolarHBondContact O-CG2 3.43Å; E244-V247 PolarHBondContact O-N 2.96Å; E244-K248 HydrophobicContact CG-CD 4.25Å; E244-K248 WeakPolarHBondContact O-CB 3.38Å; E244-K248 WeakPolarHBondContact O-CG 3.2Å; E244-K248 PolarHBondContact O-N 2.92Å; E244-K248 WeakPolarHBondContact OE1-CE 3.32Å; E244-K248 IonicContact OE1-NZ 2.74Å; E244-K248 PolarHBondContact OE1-NZ 2.62Å; E244-V255 HydrophobicContact CB-CG1 4.34Å; E244-V255 HydrophobicContact CG-CB 3.95Å; E244-V255 HydrophobicContact CG-CG1 3.84Å; E244-V255 HydrophobicContact CG-CG2 4.22Å
245	R	96.4	Very high	97	Very high	228 Å²	228	46.2 Å²	46.2	86%	0.86	24%	0.235	S	C	*	.	H	α-helix	trans	-60.8	-34.2	177.7	-175.5	176.8	-179	174.3	1.4	111.9	A243 G249	A243-R245 PolarHBondContact O-N 2.72Å; R245-G249 PolarHBondContact O-N 2.77Å
246	F	96.3	Very high	96.9	Very high	63 Å²	63	46.5 Å²	46.5	28%	0.276	24%	0.237	S	C	.	.	H	α-helix	trans	-68.9	-50.1	179.3	163.2	-109.2	0	0	0	111.4	T222 A243 E244 K248 G249 L250 V368	T222-F246 HydrophobicContact CG2-CE1 3.57Å; T222-F246 HydrophobicContact CG2-CZ 3.62Å; A243-F246 WeakPolarHBondContact O-CB 3.34Å; A243-F246 PolarHBondContact O-N 3.3Å; A243-F246 VanDerWaalsContact O-N 3.1Å; E244-F246 PolarHBondContact O-N 2.83Å; F246-K248 PolarHBondContact O-N 3.09Å; F246-G249 CarbonylContact O-C 3.59Å; F246-G249 WeakPolarHBondContact O-CA 3.22Å; F246-G249 PolarHBondContact O-N 3.26Å; F246-G249 VanDerWaalsContact O-N 3.09Å; F246-L250 HydrophobicContact CE1-CD1 4.17Å; F246-L250 HydrophobicContact CE2-CD1 4.13Å; F246-L250 HydrophobicContact CE2-CD2 4.37Å; F246-L250 HydrophobicContact CE2-CG 4.28Å; F246-L250 HydrophobicContact CZ-CD1 3.7Å; F246-L250 HydrophobicContact CZ-CG 4.34Å; F246-L250 PolarHBondContact O-N 2.64Å; F246-V368 HydrophobicContact CE2-CG1 3.86Å; F246-V368 HydrophobicContact CZ-CG1 3.52Å; F246-V368 HydrophobicContact CZ-CG2 4.42Å
247	V	97.5	Very high	96.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.1	-32.5	178.5	-60.5	0	0	0	0	112.9	I225 V237 A243 E244 G249 L250 G251 A252 V255	I225-V247 HydrophobicContact CD1-CB 3.99Å; I225-V247 HydrophobicContact CD1-CG1 4.15Å; V237-V247 HydrophobicContact CG2-CB 4.14Å; V237-V247 HydrophobicContact CG2-CG2 3.69Å; A243-V247 PolarHBondContact O-N 3.07Å; E244-V247 WeakPolarHBondContact O-CG2 3.43Å; E244-V247 PolarHBondContact O-N 2.96Å; V247-G249 VanDerWaalsContact C-N 3.32Å; V247-L250 WeakPolarHBondContact O-CB 3.09Å; V247-L250 PolarHBondContact O-N 3.4Å; V247-L250 VanDerWaalsContact O-N 3.13Å; V247-G251 PolarHBondContact O-N 2.92Å; V247-A252 HydrophobicContact CB-CB 4.47Å; V247-A252 WeakPolarHBondContact O-CB 3.22Å; V247-A252 PolarHBondContact O-N 2.76Å; V247-V255 HydrophobicContact CG2-CG1 4.06Å; V247-V255 HydrophobicContact CG2-CG2 3.68Å
248	K	97.9	Very high	96.6	Very high	98 Å²	98	53.2 Å²	53.2	43%	0.426	27%	0.265	S	S	.	.	H	α-helix	trans	-61.2	-40.6	167.8	-75.6	177.5	174.6	174.3	0	111.5	E244 F246 L250 G251 V255	E244-K248 HydrophobicContact CG-CD 4.25Å; E244-K248 WeakPolarHBondContact O-CB 3.38Å; E244-K248 WeakPolarHBondContact O-CG 3.2Å; E244-K248 PolarHBondContact O-N 2.92Å; E244-K248 WeakPolarHBondContact OE1-CE 3.32Å; E244-K248 IonicContact OE1-NZ 2.74Å; E244-K248 PolarHBondContact OE1-NZ 2.62Å; F246-K248 PolarHBondContact O-N 3.09Å; K248-L250 PolarHBondContact O-N 2.66Å; K248-G251 WeakPolarHBondContact O-CA 3.27Å; K248-G251 PolarHBondContact O-N 2.87Å; K248-V255 HydrophobicContact CD-CG2 4.27Å; K248-V255 HydrophobicContact CG-CG2 3.69Å
249	G	97.6	Very high	96.3	Very high	50 Å²	50	57 Å²	57	52%	0.515	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.4	173.8	0	0	0	0	0	115.4	R245 F246 V247 R366	R245-G249 PolarHBondContact O-N 2.77Å; F246-G249 CarbonylContact O-C 3.59Å; F246-G249 WeakPolarHBondContact O-CA 3.22Å; F246-G249 PolarHBondContact O-N 3.26Å; F246-G249 VanDerWaalsContact O-N 3.09Å; V247-G249 VanDerWaalsContact C-N 3.32Å; G249-R366 PolarHBondContact O-NH2 3.04Å
250	L	97.8	Very high	96.1	Very high	17 Å²	17	61.2 Å²	61.2	9%	0.089	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-8.4	168.8	-60.6	-178.9	0	0	0	113.2	T222 I225 Q226 F246 V247 K248 V368	T222-L250 HydrophobicContact CG2-CD1 3.63Å; I225-L250 HydrophobicContact CB-CB 4.45Å; I225-L250 HydrophobicContact CD1-CD1 4.41Å; I225-L250 HydrophobicContact CG2-CB 3.95Å; I225-L250 WeakPolarHBondContact CG2-O 3.19Å; Q226-L250 HydrophobicContact CG-CB 4.09Å; Q226-L250 HydrophobicContact CG-CD2 4.27Å; F246-L250 HydrophobicContact CE1-CD1 4.17Å; F246-L250 HydrophobicContact CE2-CD1 4.13Å; F246-L250 HydrophobicContact CE2-CD2 4.37Å; F246-L250 HydrophobicContact CE2-CG 4.28Å; F246-L250 HydrophobicContact CZ-CD1 3.7Å; F246-L250 HydrophobicContact CZ-CG 4.34Å; F246-L250 PolarHBondContact O-N 2.64Å; V247-L250 WeakPolarHBondContact O-CB 3.09Å; V247-L250 PolarHBondContact O-N 3.4Å; V247-L250 VanDerWaalsContact O-N 3.13Å; K248-L250 PolarHBondContact O-N 2.66Å; L250-V368 HydrophobicContact CD1-CG2 4.43Å; L250-V368 HydrophobicContact CD2-CG2 4.14Å
251	G	98.1	Very high	95.9	Very high	27 Å²	27	62.5 Å²	62.5	28%	0.278	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.8	8.2	176	0	0	0	0	0	115.9	K229 V247 K248 D253	K229-G251 WeakPolarHBondContact CD-O 3.46Å; K229-G251 VanDerWaalsContact CE-O 3.26Å; K229-G251 WeakPolarHBondContact CE-O 3.44Å; K229-G251 VanDerWaalsContact CG-O 3.26Å; K229-G251 WeakPolarHBondContact CG-O 3.43Å; V247-G251 PolarHBondContact O-N 2.92Å; K248-G251 WeakPolarHBondContact O-CA 3.27Å; K248-G251 PolarHBondContact O-N 2.87Å; G251-D253 PolarHBondContact O-N 2.93Å
252	A	98.4	Very high	95.8	Very high	7 Å²	7	61.7 Å²	61.7	6%	0.058	34%	0.343	C	S	.	.			trans	-62.2	123.1	174.5	0	0	0	0	0	111.1	I225 V237 V247 V255	I225-A252 HydrophobicContact CG2-CB 4.28Å; V237-A252 HydrophobicContact CG1-CB 4.01Å; V237-A252 HydrophobicContact CG2-CB 3.96Å; V247-A252 HydrophobicContact CB-CB 4.47Å; V247-A252 WeakPolarHBondContact O-CB 3.22Å; V247-A252 PolarHBondContact O-N 2.76Å; A252-V255 HydrophobicContact CB-CG2 4.28Å
253	D	98.4	Very high	95.8	Very high	74 Å²	74	56.6 Å²	56.6	40%	0.396	32%	0.316	S	S	.	.	S	Bend	trans	-74.5	-37.1	-177.6	-53.7	-83.9	0	0	0	111.6	K229 H234 V235 G251	K229-D253 IonicContact NZ-OD1 2.71Å; K229-D253 PolarHBondContact NZ-OD1 2.89Å; K229-D253 IonicContact NZ-OD2 2.74Å; K229-D253 PolarHBondContact NZ-OD2 3.05Å; H234-D253 WeakPolarHBondContact CA-OD2 3.47Å; V235-D253 PolarHBondContact N-OD2 2.95Å; V235-D253 PolarHBondContact O-N 2.83Å; G251-D253 PolarHBondContact O-N 2.93Å
254	H	97.9	Very high	95.7	Very high	71 Å²	71	61 Å²	61	33%	0.329	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.8	177.4	-164.6	77.6	0	0	0	111.2	V235 T236 V237	V235-H254 PolarHBondContact O-N 3.49Å; T236-H254 CarbonylContact C-O 3.5Å; T236-H254 WeakPolarHBondContact CA-O 3.18Å; T236-H254 HydrophobicContact CG2-CB 4.12Å; V237-H254 PolarHBondContact N-O 2.69Å
255	V	98.2	Very high	95.6	Very high	17 Å²	17	65.7 Å²	65.7	10%	0.103	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.5	-179.7	-173.5	0	0	0	0	108.9	V237 C239 E244 V247 K248 A252	V237-V255 HydrophobicContact CG2-CB 4.38Å; V237-V255 HydrophobicContact CG2-CG1 4.1Å; V237-V255 HydrophobicContact CG2-CG2 3.97Å; V237-V255 WeakPolarHBondContact O-CA 3.36Å; C239-V255 WeakPolarHBondContact SG-CG1 3.44Å; E244-V255 HydrophobicContact CB-CG1 4.34Å; E244-V255 HydrophobicContact CG-CB 3.95Å; E244-V255 HydrophobicContact CG-CG1 3.84Å; E244-V255 HydrophobicContact CG-CG2 4.22Å; V247-V255 HydrophobicContact CG2-CG1 4.06Å; V247-V255 HydrophobicContact CG2-CG2 3.68Å; K248-V255 HydrophobicContact CD-CG2 4.27Å; K248-V255 HydrophobicContact CG-CG2 3.69Å; A252-V255 HydrophobicContact CB-CG2 4.28Å
256	V	97.8	Very high	95.5	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.8	172	177.7	0	0	0	0	108.4	V237 T238 C239 V263 P266 L267	V237-V256 PolarHBondContact O-N 3.46Å; T238-V256 WeakPolarHBondContact CA-O 3.49Å; T238-V256 HydrophobicContact CG2-CB 4.37Å; C239-V256 PolarHBondContact N-O 3.03Å; V256-V263 HydrophobicContact CG1-CB 3.94Å; V256-V263 HydrophobicContact CG1-CG1 3.91Å; V256-P266 HydrophobicContact CG1-CB 4.26Å; V256-P266 HydrophobicContact CG1-CG 3.59Å; V256-P266 HydrophobicContact CG2-CB 4.41Å; V256-L267 HydrophobicContact CB-CD2 4.33Å; V256-L267 HydrophobicContact CB-CG 4.43Å; V256-L267 HydrophobicContact CG1-CG 4.43Å; V256-L267 HydrophobicContact CG2-CD2 3.65Å; V256-L267 HydrophobicContact CG2-CG 4Å
257	D	96.4	Very high	95.6	Very high	28 Å²	28	54.5 Å²	54.5	15%	0.15	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	122.8	175.1	176.3	35.3	0	0	0	111	C239 S240 H241 T259 A260	C239-D257 WeakPolarHBondContact O-CA 3.4Å; S240-D257 VanDerWaalsContact C-OD1 3.26Å; S240-D257 VanDerWaalsContact CA-OD1 3.3Å; S240-D257 WeakPolarHBondContact CA-OD1 3.38Å; H241-D257 PolarHBondContact N-OD1 3.04Å; D257-T259 VanDerWaalsContact C-N 3.29Å; D257-T259 VanDerWaalsContact CG-N 3.29Å; D257-T259 PolarHBondContact OD1-N 3.15Å; D257-T259 PolarHBondContact OD1-OG1 3.41Å; D257-T259 PolarHBondContact OD2-N 2.92Å; D257-T259 PolarHBondContact OD2-OG1 2.86Å; D257-A260 HydrophobicContact CB-CB 4.24Å; D257-A260 WeakPolarHBondContact OD2-CB 3.2Å; D257-A260 PolarHBondContact OD2-N 3.28Å
258	Y	93.3	Very high	95.5	Very high	112 Å²	112	57.1 Å²	57.1	44%	0.439	34%	0.34	S	S	.	.	S	Bend	trans	-79	-9.7	174.2	71	-107.2	0	0	0	113.7	C239 S240 V263	C239-Y258 WeakPolarHBondContact O-CD1 3.47Å; C239-Y258 PolarHBondContact O-N 3.43Å; S240-Y258 PolarHBondContact OG-OH 2.84Å; S240-Y258 VanDerWaalsContact OG-OH 3.09Å; Y258-V263 VanDerWaalsContact CA-CG1 3.47Å
259	T	93	Very high	95.4	Very high	87 Å²	87	56.7 Å²	56.7	53%	0.534	36%	0.355	S	S	.	.	S	Bend	trans	-87.3	-17.2	176.4	64	0	0	0	0	113.9	D257	D257-T259 VanDerWaalsContact C-N 3.29Å; D257-T259 VanDerWaalsContact CG-N 3.29Å; D257-T259 PolarHBondContact OD1-N 3.15Å; D257-T259 PolarHBondContact OD1-OG1 3.41Å; D257-T259 PolarHBondContact OD2-N 2.92Å; D257-T259 PolarHBondContact OD2-OG1 2.86Å
260	A	91.5	Very high	95.4	Very high	90 Å²	90	56.2 Å²	56.2	74%	0.744	34%	0.34	S	S	*	.	S	Bend	trans	-80.3	-17.8	178.2	0	0	0	0	0	114.3	D257	D257-A260 HydrophobicContact CB-CB 4.24Å; D257-A260 WeakPolarHBondContact OD2-CB 3.2Å; D257-A260 PolarHBondContact OD2-N 3.28Å
261	G	90.4	Very high	95.4	Very high	35 Å²	35	61.8 Å²	61.8	36%	0.361	37%	0.366	S	S	.	.	S	Bend	trans	155.1	-168.7	-178.3	0	0	0	0	0	113.2	V263	G261-V263 PolarHBondContact O-N 3.04Å
262	P	90.6	Very high	95.4	Very high	102 Å²	102	64.3 Å²	64.3	66%	0.662	37%	0.369	S	S	*	.			trans	-61.3	117.2	176.2	-21.4	33.7	0	0	0	111.5	E264 P266	P262-E264 PolarHBondContact O-N 2.99Å; P262-P266 WeakPolarHBondContact O-CD 3.25Å
263	V	93.8	Very high	95.4	Very high	19 Å²	19	64 Å²	64	12%	0.115	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.1	-178.8	-61.8	0	0	0	0	114.2	T238 V256 Y258 G261 E265 P266 L267 W287	T238-V263 HydrophobicContact CG2-CB 4.44Å; T238-V263 HydrophobicContact CG2-CG1 4.39Å; V256-V263 HydrophobicContact CG1-CB 3.94Å; V256-V263 HydrophobicContact CG1-CG1 3.91Å; Y258-V263 VanDerWaalsContact CA-CG1 3.47Å; G261-V263 PolarHBondContact O-N 3.04Å; V263-E265 PolarHBondContact O-N 3.32Å; V263-P266 WeakPolarHBondContact O-CD 3.18Å; V263-P266 WeakPolarHBondContact O-CG 3.47Å; V263-L267 HydrophobicContact CB-CD1 4.11Å; V263-L267 HydrophobicContact CG2-CD1 4.26Å; V263-L267 VanDerWaalsContact O-CB 3.27Å; V263-L267 WeakPolarHBondContact O-CB 3.49Å; V263-L267 WeakPolarHBondContact O-CD1 3.49Å; V263-L267 WeakPolarHBondContact O-CG 3.44Å; V263-L267 PolarHBondContact O-N 3.25Å; V263-W287 HydrophobicContact CG2-CH2 3.36Å; V263-W287 HydrophobicContact CG2-CZ2 3.5Å; V263-W287 VanDerWaalsContact CG2-CZ2 3.5Å; V263-W287 HydrophobicContact CG2-CZ3 4.06Å
264	E	92.6	Very high	95.4	Very high	94 Å²	94	62 Å²	62	44%	0.439	36%	0.356	S	S	.	.	H	α-helix	trans	-62.7	-40.9	-176	179.7	173.5	-170.7	0	0	112.7	P262 S268 W287	P262-E264 PolarHBondContact O-N 2.99Å; E264-S268 WeakPolarHBondContact O-CB 3.36Å; E264-S268 PolarHBondContact O-N 2.68Å; E264-S268 PolarHBondContact O-OG 2.94Å; E264-W287 HydrophobicContact CB-CB 4.47Å; E264-W287 HydrophobicContact CB-CD2 4.23Å; E264-W287 HydrophobicContact CB-CE3 4.16Å; E264-W287 HydrophobicContact CB-CG 4.37Å; E264-W287 HydrophobicContact CG-CB 3.96Å; E264-W287 HydrophobicContact CG-CE3 4.36Å; E264-W287 HydrophobicContact CG-CG 4.38Å; E264-W287 WeakPolarHBondContact OE1-CB 3.46Å; E264-W287 WeakPolarHBondContact OE2-CB 3.19Å
265	E	92.8	Very high	95.4	Very high	154 Å²	154	58.8 Å²	58.8	72%	0.72	34%	0.341	S	S	*	.	H	α-helix	trans	-64.8	-58.3	-178.3	179.1	176.8	-169.8	0	0	112.6	V263 L267 S268 A269	V263-E265 PolarHBondContact O-N 3.32Å; E265-L267 VanDerWaalsContact C-N 3.27Å; E265-L267 PolarHBondContact O-N 3.11Å; E265-S268 PolarHBondContact O-N 2.86Å; E265-S268 VanDerWaalsContact O-N 3.08Å; E265-A269 PolarHBondContact O-N 3.15Å; E265-A269 VanDerWaalsContact O-N 3.15Å
266	P	96.3	Very high	95.5	Very high	56 Å²	56	58 Å²	58	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-63	-31.8	177.7	24.5	-34.6	0	0	0	112.8	V256 P262 V263	V256-P266 HydrophobicContact CG1-CB 4.26Å; V256-P266 HydrophobicContact CG1-CG 3.59Å; V256-P266 HydrophobicContact CG2-CB 4.41Å; P262-P266 WeakPolarHBondContact O-CD 3.25Å; V263-P266 WeakPolarHBondContact O-CD 3.18Å; V263-P266 WeakPolarHBondContact O-CG 3.47Å
267	L	97.3	Very high	95.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-71.8	-30.9	174.2	-71.1	172.7	0	0	0	113.1	L212 T236 T238 V256 V263 E265 A269 L270 F273 W287 L291	L212-L267 HydrophobicContact CD1-CD1 4.38Å; L212-L267 HydrophobicContact CD1-CD2 3.72Å; L212-L267 HydrophobicContact CD2-CD1 4.14Å; L212-L267 HydrophobicContact CD2-CD2 4.34Å; T236-L267 HydrophobicContact CG2-CD2 3.8Å; T238-L267 HydrophobicContact CG2-CD1 3.96Å; V256-L267 HydrophobicContact CB-CD2 4.33Å; V256-L267 HydrophobicContact CB-CG 4.43Å; V256-L267 HydrophobicContact CG1-CG 4.43Å; V256-L267 HydrophobicContact CG2-CD2 3.65Å; V256-L267 HydrophobicContact CG2-CG 4Å; V263-L267 HydrophobicContact CB-CD1 4.11Å; V263-L267 HydrophobicContact CG2-CD1 4.26Å; V263-L267 VanDerWaalsContact O-CB 3.27Å; V263-L267 WeakPolarHBondContact O-CB 3.49Å; V263-L267 WeakPolarHBondContact O-CD1 3.49Å; V263-L267 WeakPolarHBondContact O-CG 3.44Å; V263-L267 PolarHBondContact O-N 3.25Å; E265-L267 VanDerWaalsContact C-N 3.27Å; E265-L267 PolarHBondContact O-N 3.11Å; L267-A269 VanDerWaalsContact C-N 3.35Å; L267-L270 HydrophobicContact CD2-CD1 4.16Å; L267-L270 PolarHBondContact O-N 3.2Å; L267-F273 HydrophobicContact CD2-CZ 4.39Å; L267-W287 HydrophobicContact CD1-CH2 4Å; L267-W287 HydrophobicContact CD1-CZ3 3.66Å; L267-L291 HydrophobicContact CB-CD1 3.7Å; L267-L291 HydrophobicContact CB-CD2 4.32Å; L267-L291 HydrophobicContact CD1-CD1 4.03Å; L267-L291 HydrophobicContact CG-CD1 4.45Å
268	S	95.4	Very high	95.6	Very high	54 Å²	54	56.3 Å²	56.3	38%	0.378	33%	0.327	S	S	.	.	H	α-helix	trans	-75.4	-23.8	177.7	-65.7	0	0	0	0	113.2	E264 E265 L270 L291	E264-S268 WeakPolarHBondContact O-CB 3.36Å; E264-S268 PolarHBondContact O-N 2.68Å; E264-S268 PolarHBondContact O-OG 2.94Å; E265-S268 PolarHBondContact O-N 2.86Å; E265-S268 VanDerWaalsContact O-N 3.08Å; S268-L270 PolarHBondContact O-N 3.38Å; S268-L291 WeakPolarHBondContact OG-CD2 3.33Å
269	A	96.1	Very high	95.7	Very high	90 Å²	90	52.6 Å²	52.6	74%	0.744	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.8	171.8	0	0	0	0	0	113.5	E265 L267	E265-A269 PolarHBondContact O-N 3.15Å; E265-A269 VanDerWaalsContact O-N 3.15Å; L267-A269 VanDerWaalsContact C-N 3.35Å
270	L	97.1	Very high	95.8	Very high	39 Å²	39	53.1 Å²	53.1	20%	0.204	31%	0.313	C	S	.	.	S	Bend	trans	-87.4	155.4	176	-57.1	174.5	0	0	0	111.6	T236 L267 S268 K272 F273	T236-L270 HydrophobicContact CG2-CD1 4Å; L267-L270 HydrophobicContact CD2-CD1 4.16Å; L267-L270 PolarHBondContact O-N 3.2Å; S268-L270 PolarHBondContact O-N 3.38Å; L270-K272 PolarHBondContact O-N 2.54Å; L270-F273 HydrophobicContact CB-CZ 4.45Å; L270-F273 HydrophobicContact CD1-CZ 4.06Å
271	E	97.3	Very high	95.8	Very high	135 Å²	135	49 Å²	49	63%	0.631	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-55.3	136.7	164.8	-66.9	175.8	161.1	0	0	111.2	R210	R210-E271 WeakPolarHBondContact CD-OE2 3.31Å; R210-E271 IonicContact CZ-OE2 3.7Å; R210-E271 VanDerWaalsContact CZ-OE2 3.32Å; R210-E271 PolarHBondContact NE-O 2.8Å; R210-E271 IonicContact NE-OE2 2.86Å; R210-E271 PolarHBondContact NE-OE2 2.98Å; R210-E271 IonicContact NH1-OE2 2.73Å; R210-E271 PolarHBondContact NH1-OE2 3.18Å
272	K	98.3	Very high	95.8	Very high	80 Å²	80	50.2 Å²	50.2	35%	0.348	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-54.6	149.8	-177.7	-61.2	-65.7	177.5	-173	0	113.3	L270 G290 L291 K293	L270-K272 PolarHBondContact O-N 2.54Å; K272-G290 PolarHBondContact NZ-O 2.86Å; K272-L291 CarbonylContact C-O 3.54Å; K272-L291 VanDerWaalsContact CA-O 3.25Å; K272-L291 WeakPolarHBondContact CA-O 3.37Å; K272-L291 WeakPolarHBondContact CB-O 3.2Å; K272-L291 VanDerWaalsContact CD-O 3.27Å; K272-L291 WeakPolarHBondContact CD-O 3.45Å; K272-K293 HydrophobicContact CB-CB 4.4Å; K272-K293 HydrophobicContact CB-CG 3.61Å; K272-K293 WeakPolarHBondContact O-CE 3.29Å
273	F	98.7	Very high	95.8	Very high	1 Å²	1	50 Å²	50	0%	0.004	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-91.3	148.1	-174.5	-58.6	-79.2	0	0	0	113.2	R210 L212 T236 L267 L270 I276 L291 L292 K293	R210-F273 HydrophobicContact CB-CD1 4Å; R210-F273 WeakPolarHBondContact O-CA 3.43Å; L212-F273 HydrophobicContact CB-CD1 3.75Å; L212-F273 HydrophobicContact CB-CD2 4Å; L212-F273 HydrophobicContact CB-CE1 3.89Å; L212-F273 HydrophobicContact CB-CE2 4.15Å; L212-F273 HydrophobicContact CB-CG 3.81Å; L212-F273 HydrophobicContact CB-CZ 4.09Å; L212-F273 HydrophobicContact CD1-CZ 4.4Å; L212-F273 HydrophobicContact CD2-CD2 4.06Å; L212-F273 HydrophobicContact CD2-CE2 3.89Å; L212-F273 HydrophobicContact CD2-CZ 4.37Å; L212-F273 HydrophobicContact CG-CE2 4.48Å; T236-F273 HydrophobicContact CG2-CE1 4.4Å; T236-F273 HydrophobicContact CG2-CZ 4.22Å; L267-F273 HydrophobicContact CD2-CZ 4.39Å; L270-F273 HydrophobicContact CB-CZ 4.45Å; L270-F273 HydrophobicContact CD1-CZ 4.06Å; F273-I276 HydrophobicContact CB-CG1 4.22Å; F273-L291 HydrophobicContact CD2-CB 3.87Å; F273-L291 WeakPolarHBondContact CD2-O 3.49Å; F273-L291 HydrophobicContact CE2-CB 4.19Å; F273-L291 HydrophobicContact CE2-CD1 4.48Å; F273-L291 PolarHBondContact N-O 3.18Å; F273-L292 HydrophobicContact CB-CD2 4.44Å; F273-L292 CarbonylContact O-C 3.58Å; F273-L292 WeakPolarHBondContact O-CA 3.36Å; F273-K293 PolarHBondContact O-N 2.65Å
274	D	98.7	Very high	95.7	Very high	31 Å²	31	49.7 Å²	49.7	17%	0.166	28%	0.284	C	S	.	.	S	Bend	trans	-80.7	-33.3	171.5	-61.2	-76.1	0	0	0	111.4	K209 R210 K293 A298 K299	K209-D274 HydrophobicContact CB-CB 4.16Å; K209-D274 HydrophobicContact CD-CB 4.32Å; K209-D274 HydrophobicContact CG-CB 4.24Å; R210-D274 PolarHBondContact N-OD2 2.82Å; R210-D274 PolarHBondContact O-N 2.81Å; D274-K293 WeakPolarHBondContact OD1-CD 3.41Å; D274-K293 WeakPolarHBondContact OD1-CE 3.45Å; D274-K293 IonicContact OD1-NZ 3.32Å; D274-K293 PolarHBondContact OD1-NZ 2.58Å; D274-K293 IonicContact OD2-NZ 3.47Å; D274-K293 PolarHBondContact OD2-NZ 2.95Å; D274-A298 WeakPolarHBondContact O-CA 3.46Å; D274-A298 WeakPolarHBondContact O-CB 3.33Å; D274-K299 PolarHBondContact O-N 3.32Å; D274-K299 VanDerWaalsContact O-N 3.07Å
275	L	98.8	Very high	95.7	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	143.8	173.5	-176.7	146.7	0	0	0	111.5	L195 L201 R210 I211 L212 L277 K299 V301	L195-L275 HydrophobicContact CD2-CD2 3.56Å; L201-L275 HydrophobicContact CD1-CD1 4.08Å; L201-L275 HydrophobicContact CG-CD1 4.18Å; R210-L275 PolarHBondContact O-N 2.98Å; I211-L275 WeakPolarHBondContact CA-O 3.34Å; I211-L275 HydrophobicContact CD1-CB 3.92Å; I211-L275 HydrophobicContact CG2-CB 4.49Å; I211-L275 HydrophobicContact CG2-CD2 3.87Å; L212-L275 PolarHBondContact N-O 3.22Å; L275-L277 HydrophobicContact CD2-CB 4.28Å; L275-K299 CarbonylContact C-O 3.5Å; L275-K299 VanDerWaalsContact CA-O 3.26Å; L275-K299 WeakPolarHBondContact CA-O 3.41Å; L275-K299 HydrophobicContact CD1-CB 4.33Å; L275-V301 HydrophobicContact CD1-CG2 4.22Å
276	I	98.8	Very high	95.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.5	168.8	-57.9	173.2	0	0	0	108.3	L212 L214 F273 A288 L291 L292 K299 Y300 V301	L212-I276 HydrophobicContact CB-CG1 4.07Å; L212-I276 HydrophobicContact CB-CG2 4.41Å; L212-I276 HydrophobicContact CD2-CD1 4.23Å; L212-I276 HydrophobicContact CD2-CG1 4.16Å; L212-I276 HydrophobicContact CD2-CG2 4.21Å; L212-I276 HydrophobicContact CG-CG2 4.31Å; L212-I276 CarbonylContact O-C 3.53Å; L212-I276 WeakPolarHBondContact O-CA 3.37Å; L214-I276 HydrophobicContact CD1-CG2 4.24Å; L214-I276 HydrophobicContact CG-CG2 4.23Å; F273-I276 HydrophobicContact CB-CG1 4.22Å; I276-A288 HydrophobicContact CD1-CB 4.34Å; I276-A288 WeakPolarHBondContact CD1-O 3.21Å; I276-L291 HydrophobicContact CD1-CB 4.09Å; I276-L292 HydrophobicContact CB-CD2 4.42Å; I276-L292 HydrophobicContact CD1-CD2 3.88Å; I276-L292 HydrophobicContact CD1-CG 3.72Å; I276-L292 HydrophobicContact CG1-CD2 3.65Å; I276-L292 HydrophobicContact CG1-CG 4.08Å; I276-K299 PolarHBondContact N-O 2.91Å; I276-Y300 HydrophobicContact CB-CD2 3.81Å; I276-Y300 HydrophobicContact CB-CE2 4.2Å; I276-Y300 HydrophobicContact CD1-CD2 4.16Å; I276-Y300 HydrophobicContact CD1-CE2 4.49Å; I276-Y300 HydrophobicContact CG2-CD2 3.9Å; I276-Y300 HydrophobicContact CG2-CE2 3.75Å; I276-V301 PolarHBondContact O-N 3.38Å
277	L	98.8	Very high	95.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	114.9	168.2	176.3	63.4	0	0	0	108.6	A194 L195 L212 I213 L214 V220 A224 L275 V301 L303	A194-L277 HydrophobicContact CB-CD1 3.66Å; L195-L277 HydrophobicContact CD1-CD2 4.28Å; L195-L277 HydrophobicContact CD2-CB 4.22Å; L195-L277 HydrophobicContact CD2-CD2 4.21Å; L195-L277 HydrophobicContact CG-CD2 4.3Å; L212-L277 PolarHBondContact O-N 2.76Å; I213-L277 HydrophobicContact CG2-CD2 4.31Å; L214-L277 PolarHBondContact N-O 3.4Å; V220-L277 HydrophobicContact CG1-CD2 4.44Å; A224-L277 HydrophobicContact CB-CD2 3.92Å; L275-L277 HydrophobicContact CD2-CB 4.28Å; L277-V301 WeakPolarHBondContact CA-O 3.44Å; L277-L303 HydrophobicContact CD1-CD1 4.35Å; L277-L303 HydrophobicContact CD1-CG 4.35Å
278	D	98.3	Very high	95.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	111.9	179	179.3	27.8	0	0	0	112	L214 I280 G281 T284 Y300 V301 T302 L303	L214-D278 HydrophobicContact CD1-CB 4.17Å; D278-I280 PolarHBondContact OD1-N 3.37Å; D278-G281 PolarHBondContact OD1-N 2.87Å; D278-G281 WeakPolarHBondContact OD2-CA 3.32Å; D278-G281 PolarHBondContact OD2-N 3.14Å; D278-T284 PolarHBondContact OD2-OG1 2.93Å; D278-Y300 HydrophobicContact CB-CE1 4.14Å; D278-Y300 HydrophobicContact CB-CE2 4.34Å; D278-Y300 WeakPolarHBondContact CB-OH 3.39Å; D278-Y300 PolarHBondContact OD2-OH 2.87Å; D278-V301 PolarHBondContact N-O 3Å; D278-T302 WeakPolarHBondContact O-CA 3.34Å; D278-T302 PolarHBondContact O-OG1 2.92Å; D278-T302 PolarHBondContact OD2-OG1 3.2Å; D278-L303 PolarHBondContact O-N 2.86Å
279	N	95.9	Very high	95.6	Very high	34 Å²	34	46.3 Å²	46.3	18%	0.182	25%	0.247	C	C	.	.	S	Bend	trans	-100.8	1.6	174.8	-48.5	-77.8	0	0	0	112.7	I213 L214 V220 L303 V304	I213-N279 WeakPolarHBondContact CG2-ND2 3.37Å; L214-N279 WeakPolarHBondContact O-CB 3.43Å; L214-N279 PolarHBondContact O-N 2.84Å; L214-N279 PolarHBondContact O-ND2 2.93Å; V220-N279 VanDerWaalsContact CG1-OD1 3.26Å; V220-N279 WeakPolarHBondContact CG1-OD1 3.21Å; N279-L303 WeakPolarHBondContact OD1-CD1 3.47Å; N279-V304 WeakPolarHBondContact O-CG2 3.35Å
280	I	93.6	Very high	95.6	Very high	98 Å²	98	44.5 Å²	44.5	50%	0.503	24%	0.237	S	C	.	.	S	Bend	trans	-107.9	-46.4	-173	-55.8	-59.8	0	0	0	111	L214 D278 T284	L214-I280 HydrophobicContact CB-CG1 4.21Å; D278-I280 PolarHBondContact OD1-N 3.37Å; I280-T284 HydrophobicContact CB-CG2 3.93Å; I280-T284 HydrophobicContact CG2-CG2 3.96Å
281	G	91.8	Very high	95.6	Very high	5 Å²	5	42.8 Å²	42.8	5%	0.052	23%	0.228	C	C	.	.			trans	67.3	-165.7	-178	0	0	0	0	0	114.5	D278 D283 T284	D278-G281 PolarHBondContact OD1-N 2.87Å; D278-G281 WeakPolarHBondContact OD2-CA 3.32Å; D278-G281 PolarHBondContact OD2-N 3.14Å; G281-D283 PolarHBondContact O-N 3.36Å; G281-T284 WeakPolarHBondContact CA-OG1 3.1Å; G281-T284 PolarHBondContact O-OG1 2.74Å; G281-T284 VanDerWaalsContact O-OG1 3.06Å
282	G	91.3	Very high	95.7	Very high	59 Å²	59	36.5 Å²	36.5	61%	0.608	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	-121.2	-178.3	0	0	0	0	0	111.6	T284	G282-T284 VanDerWaalsContact C-N 3.27Å; G282-T284 PolarHBondContact O-N 3.04Å
283	D	89.8	Confident	95.7	Very high	98 Å²	98	35.8 Å²	35.8	52%	0.524	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10	-173.5	-69.4	-35.9	0	0	0	114.3	G281 E285 R286 W287	G281-D283 PolarHBondContact O-N 3.36Å; D283-E285 PolarHBondContact O-N 2.7Å; D283-R286 WeakPolarHBondContact O-CB 3.26Å; D283-R286 PolarHBondContact O-N 3.1Å; D283-R286 VanDerWaalsContact O-N 3.08Å; D283-R286 IonicContact OD1-CZ 3.77Å; D283-R286 IonicContact OD1-NE 3.79Å; D283-R286 PolarHBondContact OD1-NE 3.5Å; D283-R286 IonicContact OD1-NH2 3.23Å; D283-R286 PolarHBondContact OD1-NH2 3.14Å; D283-W287 VanDerWaalsContact O-CD1 3.31Å; D283-W287 PolarHBondContact O-NE1 2.97Å
284	T	92.9	Very high	95.7	Very high	13 Å²	13	39.2 Å²	39.2	8%	0.08	22%	0.218	C	C	.	.	H	α-helix	trans	-51.4	-41.6	170.6	51.7	0	0	0	0	112.2	L214 D278 I280 G281 G282 R286 W287 A288 Y300	L214-T284 HydrophobicContact CD1-CG2 3.83Å; D278-T284 PolarHBondContact OD2-OG1 2.93Å; I280-T284 HydrophobicContact CB-CG2 3.93Å; I280-T284 HydrophobicContact CG2-CG2 3.96Å; G281-T284 WeakPolarHBondContact CA-OG1 3.1Å; G281-T284 PolarHBondContact O-OG1 2.74Å; G281-T284 VanDerWaalsContact O-OG1 3.06Å; G282-T284 VanDerWaalsContact C-N 3.27Å; G282-T284 PolarHBondContact O-N 3.04Å; T284-R286 PolarHBondContact O-N 2.91Å; T284-R286 VanDerWaalsContact O-N 3.16Å; T284-W287 HydrophobicContact CG2-CZ2 4.14Å; T284-W287 PolarHBondContact O-N 3.49Å; T284-A288 WeakPolarHBondContact O-CB 3.29Å; T284-A288 PolarHBondContact O-N 2.8Å; T284-Y300 PolarHBondContact OG1-OH 3.28Å
285	E	92.5	Very high	95.6	Very high	28 Å²	28	47 Å²	47	13%	0.131	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-23	-178.4	-65.1	-169.4	177.3	0	0	113.7	D283 L289 Y300 K330 Y341	D283-E285 PolarHBondContact O-N 2.7Å; E285-L289 HydrophobicContact CB-CD1 4.28Å; E285-L289 WeakPolarHBondContact O-CD1 3.39Å; E285-Y300 HydrophobicContact CG-CE1 3.96Å; E285-K330 IonicContact OE1-NZ 2.73Å; E285-K330 PolarHBondContact OE1-NZ 2.62Å; E285-K330 VanDerWaalsContact OE2-CE 3.25Å; E285-K330 WeakPolarHBondContact OE2-CE 3.46Å; E285-K330 IonicContact OE2-NZ 3.33Å; E285-K330 PolarHBondContact OE2-NZ 3.34Å; E285-Y341 HydrophobicContact CG-CE2 4.36Å; E285-Y341 PolarHBondContact OE1-OH 2.69Å
286	R	91.7	Very high	95.5	Very high	202 Å²	202	49.8 Å²	49.8	76%	0.762	27%	0.268	S	S	*	.	H	α-helix	trans	-67.9	-40.7	-176.9	-59.8	-170.7	-167.8	-150.7	10.4	111.8	D283 T284	D283-R286 WeakPolarHBondContact O-CB 3.26Å; D283-R286 PolarHBondContact O-N 3.1Å; D283-R286 VanDerWaalsContact O-N 3.08Å; D283-R286 IonicContact OD1-CZ 3.77Å; D283-R286 IonicContact OD1-NE 3.79Å; D283-R286 PolarHBondContact OD1-NE 3.5Å; D283-R286 IonicContact OD1-NH2 3.23Å; D283-R286 PolarHBondContact OD1-NH2 3.14Å; T284-R286 PolarHBondContact O-N 2.91Å; T284-R286 VanDerWaalsContact O-N 3.16Å
287	W	93.8	Very high	95.4	Very high	44 Å²	44	51.7 Å²	51.7	17%	0.167	29%	0.288	C	S	.	.	H	α-helix	trans	-110.2	-40.7	-173.4	54.2	-93.8	0	0	0	113.1	L214 V263 E264 L267 D283 T284 L289 G290 L291	L214-W287 HydrophobicContact CD1-CH2 4.19Å; L214-W287 HydrophobicContact CD2-CH2 3.88Å; V263-W287 HydrophobicContact CG2-CH2 3.36Å; V263-W287 HydrophobicContact CG2-CZ2 3.5Å; V263-W287 VanDerWaalsContact CG2-CZ2 3.5Å; V263-W287 HydrophobicContact CG2-CZ3 4.06Å; E264-W287 HydrophobicContact CB-CB 4.47Å; E264-W287 HydrophobicContact CB-CD2 4.23Å; E264-W287 HydrophobicContact CB-CE3 4.16Å; E264-W287 HydrophobicContact CB-CG 4.37Å; E264-W287 HydrophobicContact CG-CB 3.96Å; E264-W287 HydrophobicContact CG-CE3 4.36Å; E264-W287 HydrophobicContact CG-CG 4.38Å; E264-W287 WeakPolarHBondContact OE1-CB 3.46Å; E264-W287 WeakPolarHBondContact OE2-CB 3.19Å; L267-W287 HydrophobicContact CD1-CH2 4Å; L267-W287 HydrophobicContact CD1-CZ3 3.66Å; D283-W287 VanDerWaalsContact O-CD1 3.31Å; D283-W287 PolarHBondContact O-NE1 2.97Å; T284-W287 HydrophobicContact CG2-CZ2 4.14Å; T284-W287 PolarHBondContact O-N 3.49Å; W287-L289 VanDerWaalsContact C-N 3.25Å; W287-L289 PolarHBondContact O-N 2.84Å; W287-L289 VanDerWaalsContact O-N 3.15Å; W287-G290 WeakPolarHBondContact O-CA 3Å; W287-G290 PolarHBondContact O-N 3.02Å; W287-L291 HydrophobicContact CE3-CD1 3.9Å; W287-L291 HydrophobicContact CZ3-CD1 3.67Å
288	A	96.6	Very high	95.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-62.6	-32.3	-169.8	0	0	0	0	0	112.8	L214 I276 T284 G290 L291 Y300	L214-A288 HydrophobicContact CD1-CB 4.04Å; I276-A288 HydrophobicContact CD1-CB 4.34Å; I276-A288 WeakPolarHBondContact CD1-O 3.21Å; T284-A288 WeakPolarHBondContact O-CB 3.29Å; T284-A288 PolarHBondContact O-N 2.8Å; A288-G290 PolarHBondContact O-N 2.88Å; A288-L291 VanDerWaalsContact O-CB 3.28Å; A288-L291 WeakPolarHBondContact O-CB 3.46Å; A288-L291 PolarHBondContact O-N 2.87Å; A288-Y300 HydrophobicContact CB-CE2 3.78Å
289	L	96.4	Very high	95.4	Very high	13 Å²	13	54.2 Å²	54.2	7%	0.068	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-59.7	-24	173.2	-85.6	145.8	0	0	0	113.8	E285 W287 L291 L292 Y300 H334 V339 Y341	E285-L289 HydrophobicContact CB-CD1 4.28Å; E285-L289 WeakPolarHBondContact O-CD1 3.39Å; W287-L289 VanDerWaalsContact C-N 3.25Å; W287-L289 PolarHBondContact O-N 2.84Å; W287-L289 VanDerWaalsContact O-N 3.15Å; L289-L291 VanDerWaalsContact C-N 3.28Å; L289-L292 HydrophobicContact CD2-CD1 4.3Å; L289-Y300 HydrophobicContact CD1-CD1 4.45Å; L289-Y300 HydrophobicContact CD1-CG 4.43Å; L289-Y300 HydrophobicContact CD2-CD2 4.19Å; L289-Y300 HydrophobicContact CD2-CG 3.87Å; L289-Y300 HydrophobicContact CG-CD1 4.4Å; L289-Y300 HydrophobicContact CG-CD2 3.84Å; L289-Y300 HydrophobicContact CG-CE2 4.28Å; L289-Y300 HydrophobicContact CG-CG 3.89Å; L289-H334 VanDerWaalsContact CD1-CE1 3.5Å; L289-H334 WeakPolarHBondContact CD1-CE1 3.41Å; L289-H334 HydrophobicContact CD2-CB 4.24Å; L289-V339 HydrophobicContact CD2-CG2 4.04Å; L289-Y341 HydrophobicContact CD1-CD2 4.06Å; L289-Y341 HydrophobicContact CD1-CE2 4.46Å; L289-Y341 HydrophobicContact CD2-CD2 4.37Å
290	G	96.6	Very high	95.5	Very high	51 Å²	51	52.6 Å²	52.6	53%	0.526	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-77.2	-8.1	172.2	0	0	0	0	0	114.5	K272 W287 A288	K272-G290 PolarHBondContact NZ-O 2.86Å; W287-G290 WeakPolarHBondContact O-CA 3Å; W287-G290 PolarHBondContact O-N 3.02Å; A288-G290 PolarHBondContact O-N 2.88Å
291	L	98.1	Very high	95.7	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-91.1	-8.2	177.7	-54.1	175.7	0	0	0	113.3	L212 L267 S268 K272 F273 I276 W287 A288 L289	L212-L291 HydrophobicContact CD2-CD1 3.88Å; L267-L291 HydrophobicContact CB-CD1 3.7Å; L267-L291 HydrophobicContact CB-CD2 4.32Å; L267-L291 HydrophobicContact CD1-CD1 4.03Å; L267-L291 HydrophobicContact CG-CD1 4.45Å; S268-L291 WeakPolarHBondContact OG-CD2 3.33Å; K272-L291 CarbonylContact C-O 3.54Å; K272-L291 VanDerWaalsContact CA-O 3.25Å; K272-L291 WeakPolarHBondContact CA-O 3.37Å; K272-L291 WeakPolarHBondContact CB-O 3.2Å; K272-L291 VanDerWaalsContact CD-O 3.27Å; K272-L291 WeakPolarHBondContact CD-O 3.45Å; F273-L291 HydrophobicContact CD2-CB 3.87Å; F273-L291 WeakPolarHBondContact CD2-O 3.49Å; F273-L291 HydrophobicContact CE2-CB 4.19Å; F273-L291 HydrophobicContact CE2-CD1 4.48Å; F273-L291 PolarHBondContact N-O 3.18Å; I276-L291 HydrophobicContact CD1-CB 4.09Å; W287-L291 HydrophobicContact CE3-CD1 3.9Å; W287-L291 HydrophobicContact CZ3-CD1 3.67Å; A288-L291 VanDerWaalsContact O-CB 3.28Å; A288-L291 WeakPolarHBondContact O-CB 3.46Å; A288-L291 PolarHBondContact O-N 2.87Å; L289-L291 VanDerWaalsContact C-N 3.28Å
292	L	98.5	Very high	96	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-76.1	154.1	176.1	-73.1	172	0	0	0	112.4	F273 I276 L289 P294 A298 K299 V339	F273-L292 HydrophobicContact CB-CD2 4.44Å; F273-L292 CarbonylContact O-C 3.58Å; F273-L292 WeakPolarHBondContact O-CA 3.36Å; I276-L292 HydrophobicContact CB-CD2 4.42Å; I276-L292 HydrophobicContact CD1-CD2 3.88Å; I276-L292 HydrophobicContact CD1-CG 3.72Å; I276-L292 HydrophobicContact CG1-CD2 3.65Å; I276-L292 HydrophobicContact CG1-CG 4.08Å; L289-L292 HydrophobicContact CD2-CD1 4.3Å; L292-P294 VanDerWaalsContact O-CD 3.29Å; L292-P294 WeakPolarHBondContact O-CD 3.49Å; L292-A298 HydrophobicContact CB-CB 4.15Å; L292-A298 HydrophobicContact CD2-CB 4.03Å; L292-K299 WeakPolarHBondContact CD2-O 3.18Å; L292-V339 HydrophobicContact CB-CB 4.34Å; L292-V339 HydrophobicContact CB-CG1 3.73Å; L292-V339 HydrophobicContact CD1-CB 3.91Å; L292-V339 HydrophobicContact CD1-CG1 4.23Å; L292-V339 HydrophobicContact CD1-CG2 4.3Å
293	K	98.3	Very high	96.3	Very high	64 Å²	64	46.6 Å²	46.6	28%	0.278	25%	0.245	S	C	.	.			trans	-70.4	111.7	169.2	-66.6	175.2	-168.3	172.9	0	109.8	K272 F273 D274 A296 A298	K272-K293 HydrophobicContact CB-CB 4.4Å; K272-K293 HydrophobicContact CB-CG 3.61Å; K272-K293 WeakPolarHBondContact O-CE 3.29Å; F273-K293 PolarHBondContact O-N 2.65Å; D274-K293 WeakPolarHBondContact OD1-CD 3.41Å; D274-K293 WeakPolarHBondContact OD1-CE 3.45Å; D274-K293 IonicContact OD1-NZ 3.32Å; D274-K293 PolarHBondContact OD1-NZ 2.58Å; D274-K293 IonicContact OD2-NZ 3.47Å; D274-K293 PolarHBondContact OD2-NZ 2.95Å; K293-A296 HydrophobicContact CB-CB 3.81Å; K293-A298 HydrophobicContact CB-CB 4.17Å; K293-A298 WeakPolarHBondContact O-CB 3.39Å
294	P	97.8	Very high	96.5	Very high	74 Å²	74	45.1 Å²	45.1	48%	0.481	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	145.2	178.6	31.4	-35.5	0	0	0	110.7	L292 A296	L292-P294 VanDerWaalsContact O-CD 3.29Å; L292-P294 WeakPolarHBondContact O-CD 3.49Å; P294-A296 PolarHBondContact O-N 2.84Å
295	W	97.7	Very high	96.5	Very high	194 Å²	194	45.2 Å²	45.2	74%	0.735	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	8.1	176.7	-46.3	107.6	0	0	0	115.9	G338	W295-G338 VanDerWaalsContact CD2-CA 3.49Å; W295-G338 VanDerWaalsContact CZ3-CA 3.49Å; W295-G338 PolarHBondContact N-O 3.01Å
296	A	96.6	Very high	96.5	Very high	61 Å²	61	45.8 Å²	45.8	50%	0.504	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	13.7	178.5	0	0	0	0	0	113.9	K293 P294 A298	K293-A296 HydrophobicContact CB-CB 3.81Å; P294-A296 PolarHBondContact O-N 2.84Å; A296-A298 PolarHBondContact O-N 2.71Å
297	G	96.1	Very high	96.6	Very high	40 Å²	40	38.6 Å²	38.6	41%	0.412	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	13.3	-173.1	0	0	0	0	0	114.4	K299 H340	G297-K299 WeakPolarHBondContact O-CG 3.22Å; G297-H340 PolarHBondContact O-CD2 2.86Å
298	A	98.2	Very high	96.6	Very high	3 Å²	3	37.6 Å²	37.6	3%	0.025	22%	0.218	C	C	.	.			trans	-66.2	146.5	-176.1	0	0	0	0	0	112.4	D274 L292 K293 A296 H340	D274-A298 WeakPolarHBondContact O-CA 3.46Å; D274-A298 WeakPolarHBondContact O-CB 3.33Å; L292-A298 HydrophobicContact CB-CB 4.15Å; L292-A298 HydrophobicContact CD2-CB 4.03Å; K293-A298 HydrophobicContact CB-CB 4.17Å; K293-A298 WeakPolarHBondContact O-CB 3.39Å; A296-A298 PolarHBondContact O-N 2.71Å; A298-H340 PolarHBondContact O-N 3.46Å
299	K	98.4	Very high	96.5	Very high	50 Å²	50	40.5 Å²	40.5	22%	0.217	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.5	-168.2	-51.4	-167.6	-175.5	161.4	0	114.2	T198 G199 D274 L275 I276 L292 G297 V301 H340	T198-K299 PolarHBondContact O-NZ 3.26Å; T198-K299 VanDerWaalsContact O-NZ 3.16Å; G199-K299 WeakPolarHBondContact O-CD 3.47Å; G199-K299 WeakPolarHBondContact O-CE 3.33Å; G199-K299 PolarHBondContact O-NZ 2.71Å; D274-K299 PolarHBondContact O-N 3.32Å; D274-K299 VanDerWaalsContact O-N 3.07Å; L275-K299 CarbonylContact C-O 3.5Å; L275-K299 VanDerWaalsContact CA-O 3.26Å; L275-K299 WeakPolarHBondContact CA-O 3.41Å; L275-K299 HydrophobicContact CD1-CB 4.33Å; I276-K299 PolarHBondContact N-O 2.91Å; L292-K299 WeakPolarHBondContact CD2-O 3.18Å; G297-K299 WeakPolarHBondContact O-CG 3.22Å; K299-V301 HydrophobicContact CB-CG2 4.46Å; K299-H340 CarbonylContact C-O 3.57Å; K299-H340 WeakPolarHBondContact CA-O 3.41Å; K299-H340 HydrophobicContact CB-CB 4.5Å; K299-H340 HydrophobicContact CG-CB 4.11Å
300	Y	98.6	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.3	163.7	-167.2	-95.8	0	0	0	108.7	I276 D278 T284 E285 A288 L289 T302 H340 Y341 R342	I276-Y300 HydrophobicContact CB-CD2 3.81Å; I276-Y300 HydrophobicContact CB-CE2 4.2Å; I276-Y300 HydrophobicContact CD1-CD2 4.16Å; I276-Y300 HydrophobicContact CD1-CE2 4.49Å; I276-Y300 HydrophobicContact CG2-CD2 3.9Å; I276-Y300 HydrophobicContact CG2-CE2 3.75Å; D278-Y300 HydrophobicContact CB-CE1 4.14Å; D278-Y300 HydrophobicContact CB-CE2 4.34Å; D278-Y300 WeakPolarHBondContact CB-OH 3.39Å; D278-Y300 PolarHBondContact OD2-OH 2.87Å; T284-Y300 PolarHBondContact OG1-OH 3.28Å; E285-Y300 HydrophobicContact CG-CE1 3.96Å; A288-Y300 HydrophobicContact CB-CE2 3.78Å; L289-Y300 HydrophobicContact CD1-CD1 4.45Å; L289-Y300 HydrophobicContact CD1-CG 4.43Å; L289-Y300 HydrophobicContact CD2-CD2 4.19Å; L289-Y300 HydrophobicContact CD2-CG 3.87Å; L289-Y300 HydrophobicContact CG-CD1 4.4Å; L289-Y300 HydrophobicContact CG-CD2 3.84Å; L289-Y300 HydrophobicContact CG-CE2 4.28Å; L289-Y300 HydrophobicContact CG-CG 3.89Å; Y300-T302 HydrophobicContact CE1-CG2 4.3Å; Y300-H340 PolarHBondContact N-O 3.45Å; Y300-Y341 AromaticContact CD1-CD2 3.64Å; Y300-Y341 HydrophobicContact CD1-CD2 3.64Å; Y300-Y341 AromaticContact CD1-CE2 3.73Å; Y300-Y341 HydrophobicContact CD1-CE2 3.73Å; Y300-Y341 HydrophobicContact CE1-CD2 4.3Å; Y300-Y341 AromaticContact CE1-CE2 3.96Å; Y300-Y341 HydrophobicContact CE1-CE2 3.96Å; Y300-Y341 HydrophobicContact CG-CD2 4.38Å; Y300-R342 PolarHBondContact O-N 2.96Å
301	V	98.5	Very high	96.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111	175.9	-170.6	0	0	0	0	108.6	A194 T198 L275 I276 L277 D278 K299 R342	A194-V301 HydrophobicContact CB-CG1 3.87Å; T198-V301 HydrophobicContact CG2-CG1 3.87Å; T198-V301 HydrophobicContact CG2-CG2 4.15Å; L275-V301 HydrophobicContact CD1-CG2 4.22Å; I276-V301 PolarHBondContact O-N 3.38Å; L277-V301 WeakPolarHBondContact CA-O 3.44Å; D278-V301 PolarHBondContact N-O 3Å; K299-V301 HydrophobicContact CB-CG2 4.46Å; V301-R342 WeakPolarHBondContact CA-O 3.27Å; V301-R342 HydrophobicContact CG2-CB 4.37Å
302	T	98	Very high	96.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.3	173.4	-175.3	0	0	0	0	111.4	D278 Y300 V304 Y341 R342 W343 G344	D278-T302 WeakPolarHBondContact O-CA 3.34Å; D278-T302 PolarHBondContact O-OG1 2.92Å; D278-T302 PolarHBondContact OD2-OG1 3.2Å; Y300-T302 HydrophobicContact CE1-CG2 4.3Å; T302-V304 PolarHBondContact OG1-N 2.84Å; T302-Y341 HydrophobicContact CG2-CE2 4.4Å; T302-R342 PolarHBondContact N-O 3.18Å; T302-R342 VanDerWaalsContact N-O 3.16Å; T302-W343 WeakPolarHBondContact O-CA 3.16Å; T302-G344 PolarHBondContact O-N 3.34Å
303	L	96.5	Very high	96	Very high	37 Å²	37	49.4 Å²	49.4	19%	0.194	26%	0.255	C	S	.	.	S	Bend	trans	-91.9	-14.6	171	-69.9	177.4	0	0	0	112.5	T190 A194 V220 L277 D278 N279 T305 G344	T190-L303 HydrophobicContact CG2-CD1 3.53Å; T190-L303 HydrophobicContact CG2-CD2 3.67Å; T190-L303 HydrophobicContact CG2-CG 4.24Å; A194-L303 HydrophobicContact CB-CD2 3.96Å; A194-L303 HydrophobicContact CB-CG 4.44Å; V220-L303 HydrophobicContact CG1-CD1 3.81Å; V220-L303 HydrophobicContact CG2-CD1 4.47Å; L277-L303 HydrophobicContact CD1-CD1 4.35Å; L277-L303 HydrophobicContact CD1-CG 4.35Å; D278-L303 PolarHBondContact O-N 2.86Å; N279-L303 WeakPolarHBondContact OD1-CD1 3.47Å; L303-T305 PolarHBondContact O-N 2.96Å; L303-G344 WeakPolarHBondContact CD2-O 3.49Å
304	V	94.3	Very high	95.9	Very high	66 Å²	66	50.4 Å²	50.4	40%	0.4	26%	0.263	S	S	.	.			trans	-95.9	91.5	-176.5	-177.9	0	0	0	0	108.5	N279 T302	N279-V304 WeakPolarHBondContact O-CG2 3.35Å; T302-V304 PolarHBondContact OG1-N 2.84Å
305	T	93	Very high	95.7	Very high	16 Å²	16	48.5 Å²	48.5	10%	0.098	26%	0.256	C	S	.	.			trans	-115.6	147.2	-175.4	77.6	0	0	0	0	111.6	L303 F307 W343 F345	L303-T305 PolarHBondContact O-N 2.96Å; T305-F307 PolarHBondContact O-N 2.78Å; T305-W343 HydrophobicContact CG2-CB 3.8Å; T305-W343 HydrophobicContact CG2-CD2 3.45Å; T305-W343 VanDerWaalsContact CG2-CD2 3.45Å; T305-W343 HydrophobicContact CG2-CE3 3.8Å; T305-W343 HydrophobicContact CG2-CG 3.47Å; T305-W343 VanDerWaalsContact CG2-CG 3.47Å; T305-W343 HydrophobicContact CG2-CZ3 4.47Å; T305-F345 HydrophobicContact CG2-CE1 4.4Å; T305-F345 HydrophobicContact CG2-CZ 4.3Å
306	P	92.4	Very high	95.5	Very high	40 Å²	40	41.8 Å²	41.8	26%	0.26	23%	0.234	S	C	.	.	S	Bend	trans	-76.5	6	174.9	33.7	-37.7	0	0	0	113.3	L308 L309 N310 W343	P306-L308 PolarHBondContact O-N 2.91Å; P306-L309 PolarHBondContact O-N 3.36Å; P306-N310 VanDerWaalsContact O-CB 3.31Å; P306-N310 WeakPolarHBondContact O-CB 3.45Å; P306-N310 PolarHBondContact O-N 2.94Å; P306-N310 PolarHBondContact O-ND2 2.95Å; P306-W343 HydrophobicContact CG-CH2 3.87Å; P306-W343 HydrophobicContact CG-CZ2 4.07Å
307	F	93.8	Very high	95.4	Very high	50 Å²	50	42.4 Å²	42.4	22%	0.219	24%	0.239	C	C	.	.	H	α-helix	trans	-52.5	-58.8	-171.2	171	-117.3	0	0	0	113.4	T101 T305 N310 T311 T323 W343 F345	T101-F307 HydrophobicContact CG2-CE1 4.14Å; T101-F307 HydrophobicContact CG2-CZ 4.32Å; T305-F307 PolarHBondContact O-N 2.78Å; F307-N310 PolarHBondContact O-N 2.99Å; F307-T311 HydrophobicContact CE2-CG2 4.4Å; F307-T311 PolarHBondContact O-N 2.83Å; F307-T323 HydrophobicContact CB-CG2 4.24Å; F307-T323 HydrophobicContact CD2-CG2 3.74Å; F307-T323 HydrophobicContact CG-CG2 4.46Å; F307-W343 HydrophobicContact CB-CZ3 4.17Å; F307-F345 HydrophobicContact CB-CE1 4.15Å; F307-F345 HydrophobicContact CB-CZ 4.22Å; F307-F345 HydrophobicContact CD1-CE1 4.02Å; F307-F345 HydrophobicContact CD1-CZ 4.44Å; F307-F345 HydrophobicContact CG-CE1 4.33Å; F307-F345 HydrophobicContact CG-CZ 4.41Å
308	L	94.2	Very high	95.3	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.12	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-42.4	-179.6	-66.8	175.7	0	0	0	111.3	Y97 T101 M102 P306 N310 T311 D312	Y97-L308 HydrophobicContact CD1-CD1 4.21Å; Y97-L308 HydrophobicContact CE1-CB 4.04Å; Y97-L308 HydrophobicContact CE1-CD1 3.51Å; Y97-L308 HydrophobicContact CE1-CG 4.4Å; Y97-L308 HydrophobicContact CE2-CB 4.02Å; T101-L308 HydrophobicContact CG2-CD2 3.65Å; M102-L308 HydrophobicContact CE-CD1 4.15Å; M102-L308 HydrophobicContact CE-CD2 4.16Å; P306-L308 PolarHBondContact O-N 2.91Å; L308-N310 VanDerWaalsContact C-N 3.31Å; L308-N310 PolarHBondContact O-N 3.49Å; L308-T311 WeakPolarHBondContact CA-OG1 3.22Å; L308-T311 PolarHBondContact O-N 3.16Å; L308-T311 VanDerWaalsContact O-N 3.1Å; L308-T311 PolarHBondContact O-OG1 3.27Å; L308-D312 PolarHBondContact O-N 2.81Å
309	L	94.3	Very high	95.2	Very high	61 Å²	61	45.3 Å²	45.3	32%	0.319	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-37.8	178.8	-172.8	63.8	0	0	0	112.8	Y97 P306 R313	Y97-L309 HydrophobicContact CE2-CB 4.23Å; P306-L309 PolarHBondContact O-N 3.36Å; L309-R313 HydrophobicContact CD1-CG 4.37Å; L309-R313 WeakPolarHBondContact O-CB 3.45Å; L309-R313 VanDerWaalsContact O-CG 3.29Å; L309-R313 WeakPolarHBondContact O-CG 3.26Å; L309-R313 PolarHBondContact O-N 2.94Å
310	N	95.1	Very high	95.1	Very high	22 Å²	22	46.5 Å²	46.5	12%	0.118	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-44.1	175.3	-73.2	-15	0	0	0	110.4	P306 F307 L308 D312 R313 L314 G319 T323	P306-N310 VanDerWaalsContact O-CB 3.31Å; P306-N310 WeakPolarHBondContact O-CB 3.45Å; P306-N310 PolarHBondContact O-N 2.94Å; P306-N310 PolarHBondContact O-ND2 2.95Å; F307-N310 PolarHBondContact O-N 2.99Å; L308-N310 VanDerWaalsContact C-N 3.31Å; L308-N310 PolarHBondContact O-N 3.49Å; N310-D312 VanDerWaalsContact C-N 3.33Å; N310-D312 PolarHBondContact O-N 3.47Å; N310-R313 PolarHBondContact O-N 2.76Å; N310-L314 WeakPolarHBondContact O-CB 3.49Å; N310-L314 PolarHBondContact O-N 3.33Å; N310-G319 WeakPolarHBondContact O-CA 3.18Å; N310-T323 PolarHBondContact ND2-OG1 2.88Å
311	T	94.8	Very high	95	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-31.3	177.7	56.7	0	0	0	0	113.7	T101 F307 L308 G315 I316 M320	T101-T311 WeakPolarHBondContact OG1-CB 3.41Å; T101-T311 WeakPolarHBondContact OG1-CG2 3.25Å; T101-T311 PolarHBondContact OG1-OG1 3.3Å; F307-T311 HydrophobicContact CE2-CG2 4.4Å; F307-T311 PolarHBondContact O-N 2.83Å; L308-T311 WeakPolarHBondContact CA-OG1 3.22Å; L308-T311 PolarHBondContact O-N 3.16Å; L308-T311 VanDerWaalsContact O-N 3.1Å; L308-T311 PolarHBondContact O-OG1 3.27Å; T311-G315 CarbonylContact O-C 3.56Å; T311-G315 VanDerWaalsContact O-C 3.25Å; T311-G315 WeakPolarHBondContact O-CA 3.2Å; T311-G315 PolarHBondContact O-N 2.97Å; T311-G315 VanDerWaalsContact O-N 3.14Å; T311-I316 HydrophobicContact CG2-CD1 4.47Å; T311-M320 HydrophobicContact CG2-CG 4.34Å
312	D	94.5	Very high	94.9	Very high	49 Å²	49	56.7 Å²	56.7	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-74.2	-38.4	176	-60	-27.7	0	0	0	111.5	G98 S99 A100 L308 N310	G98-D312 VanDerWaalsContact C-OD1 3.26Å; G98-D312 VanDerWaalsContact CA-OD1 3.28Å; G98-D312 WeakPolarHBondContact CA-OD1 3.27Å; G98-D312 WeakPolarHBondContact CA-OD2 3.39Å; G98-D312 PolarHBondContact N-OD1 3.39Å; G98-D312 PolarHBondContact N-OD2 2.92Å; S99-D312 PolarHBondContact N-OD1 3.2Å; A100-D312 PolarHBondContact N-OD1 3.09Å; L308-D312 PolarHBondContact O-N 2.81Å; N310-D312 VanDerWaalsContact C-N 3.33Å; N310-D312 PolarHBondContact O-N 3.47Å
313	R	95.7	Very high	94.7	Very high	188 Å²	188	57.2 Å²	57.2	71%	0.709	31%	0.306	S	S	*	.	H	α-helix	trans	-83	-34.9	-176.1	-73.5	179.9	175.9	-176.3	-0.6	114.7	L309 N310	L309-R313 HydrophobicContact CD1-CG 4.37Å; L309-R313 WeakPolarHBondContact O-CB 3.45Å; L309-R313 VanDerWaalsContact O-CG 3.29Å; L309-R313 WeakPolarHBondContact O-CG 3.26Å; L309-R313 PolarHBondContact O-N 2.94Å; N310-R313 PolarHBondContact O-N 2.76Å
314	L	94.7	Very high	94.7	Very high	85 Å²	85	58.2 Å²	58.2	45%	0.445	32%	0.32	S	S	.	.	H	α-helix	trans	-112.9	-0.2	-173	-54.2	176.2	0	0	0	112.3	N310 D318 Q322	N310-L314 WeakPolarHBondContact O-CB 3.49Å; N310-L314 PolarHBondContact O-N 3.33Å; L314-D318 HydrophobicContact CB-CB 4.04Å; L314-Q322 HydrophobicContact CD1-CB 3.88Å; L314-Q322 HydrophobicContact CD1-CG 4.04Å
315	G	93.7	Very high	94.8	Very high	33 Å²	33	57.3 Å²	57.3	34%	0.34	32%	0.319	S	S	.	.	H	α-helix	trans	74.3	174.2	-167.7	0	0	0	0	0	112.8	T311 G319	T311-G315 CarbonylContact O-C 3.56Å; T311-G315 VanDerWaalsContact O-C 3.25Å; T311-G315 WeakPolarHBondContact O-CA 3.2Å; T311-G315 PolarHBondContact O-N 2.97Å; T311-G315 VanDerWaalsContact O-N 3.14Å; G315-G319 VanDerWaalsContact O-CA 3.3Å; G315-G319 WeakPolarHBondContact O-CA 3.49Å; G315-G319 PolarHBondContact O-N 2.86Å
316	I	93.4	Very high	94.9	Very high	53 Å²	53	57.9 Å²	57.9	27%	0.272	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-51.6	-172.9	-64.8	-62.8	0	0	0	112.3	A100 M104 T311 M320	A100-I316 HydrophobicContact CB-CD1 4.14Å; M104-I316 HydrophobicContact CB-CD1 4.33Å; M104-I316 HydrophobicContact SD-CD1 4.2Å; M104-I316 HydrophobicContact SD-CG1 4.44Å; M104-I316 HydrophobicContact SD-CG2 3.83Å; T311-I316 HydrophobicContact CG2-CD1 4.47Å; I316-M320 HydrophobicContact CG2-CE 3.9Å; I316-M320 HydrophobicContact CG2-SD 4.06Å; I316-M320 VanDerWaalsContact O-CB 3.27Å; I316-M320 WeakPolarHBondContact O-CB 3.41Å; I316-M320 WeakPolarHBondContact O-CG 3.35Å; I316-M320 PolarHBondContact O-N 2.84Å
317	A	94.8	Very high	95	Very high	74 Å²	74	58.1 Å²	58.1	61%	0.612	32%	0.324	S	S	*	.	H	α-helix	trans	-66.6	-59.5	-172.2	0	0	0	0	0	112.4	G319 M320 L321	A317-G319 VanDerWaalsContact C-N 3.32Å; A317-G319 PolarHBondContact O-N 3.23Å; A317-M320 PolarHBondContact O-N 2.73Å; A317-L321 PolarHBondContact O-N 2.73Å
318	D	95.3	Very high	95.1	Very high	104 Å²	104	58 Å²	58	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-69.2	-33.1	-177.8	-62.9	-26.7	0	0	0	111.6	L314 L321 Q322	L314-D318 HydrophobicContact CB-CB 4.04Å; D318-L321 PolarHBondContact O-N 3.12Å; D318-Q322 VanDerWaalsContact O-CB 3.29Å; D318-Q322 WeakPolarHBondContact O-CB 3.3Å; D318-Q322 PolarHBondContact O-N 3.03Å
319	G	96.1	Very high	95.1	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-41.4	172.4	0	0	0	0	0	113	N310 G315 A317 T323	N310-G319 WeakPolarHBondContact O-CA 3.18Å; G315-G319 VanDerWaalsContact O-CA 3.3Å; G315-G319 WeakPolarHBondContact O-CA 3.49Å; G315-G319 PolarHBondContact O-N 2.86Å; A317-G319 VanDerWaalsContact C-N 3.32Å; A317-G319 PolarHBondContact O-N 3.23Å; G319-T323 VanDerWaalsContact O-CB 3.25Å; G319-T323 WeakPolarHBondContact O-CB 3.12Å; G319-T323 PolarHBondContact O-N 3.13Å; G319-T323 PolarHBondContact O-OG1 2.93Å
320	M	95.2	Very high	95.2	Very high	75 Å²	75	60.7 Å²	60.7	37%	0.369	35%	0.348	S	S	.	.	H	α-helix	trans	-67.6	-41.4	172.6	-76.9	-177.6	-178.6	0	0	112	M104 T311 I316 A317 T323 A324	M104-M320 HydrophobicContact CE-CE 3.98Å; M104-M320 HydrophobicContact SD-CE 4.2Å; T311-M320 HydrophobicContact CG2-CG 4.34Å; I316-M320 HydrophobicContact CG2-CE 3.9Å; I316-M320 HydrophobicContact CG2-SD 4.06Å; I316-M320 VanDerWaalsContact O-CB 3.27Å; I316-M320 WeakPolarHBondContact O-CB 3.41Å; I316-M320 WeakPolarHBondContact O-CG 3.35Å; I316-M320 PolarHBondContact O-N 2.84Å; A317-M320 PolarHBondContact O-N 2.73Å; M320-T323 WeakPolarHBondContact O-CB 3.41Å; M320-T323 PolarHBondContact O-N 3.02Å; M320-A324 WeakPolarHBondContact O-CB 3.36Å; M320-A324 PolarHBondContact O-N 3.03Å
321	L	96.6	Very high	95.1	Very high	120 Å²	120	61.1 Å²	61.1	63%	0.628	35%	0.351	S	S	*	.	H	α-helix	trans	-62.3	-50.1	177.8	180	60.7	0	0	0	111.9	A317 D318 T323 A324 A325	A317-L321 PolarHBondContact O-N 2.73Å; D318-L321 PolarHBondContact O-N 3.12Å; L321-T323 VanDerWaalsContact C-N 3.26Å; L321-T323 PolarHBondContact O-N 3.01Å; L321-A324 PolarHBondContact O-N 2.98Å; L321-A325 WeakPolarHBondContact O-CB 3.42Å; L321-A325 PolarHBondContact O-N 3.01Å
322	Q	95.8	Very high	95.2	Very high	94 Å²	94	66.4 Å²	66.4	44%	0.439	38%	0.378	S	S	.	.	H	α-helix	trans	-58.6	-40	175.7	-178.8	57.4	60.7	0	0	111.5	L314 D318 T326	L314-Q322 HydrophobicContact CD1-CB 3.88Å; L314-Q322 HydrophobicContact CD1-CG 4.04Å; D318-Q322 VanDerWaalsContact O-CB 3.29Å; D318-Q322 WeakPolarHBondContact O-CB 3.3Å; D318-Q322 PolarHBondContact O-N 3.03Å; Q322-T326 PolarHBondContact NE2-OG1 3.02Å; Q322-T326 WeakPolarHBondContact O-CB 3.13Å; Q322-T326 PolarHBondContact O-N 2.85Å; Q322-T326 PolarHBondContact O-OG1 2.8Å
323	T	95.4	Very high	95.2	Very high	12 Å²	12	69.9 Å²	69.9	7%	0.074	39%	0.391	C	S	.	.	H	α-helix	trans	-63.7	-50.3	175.1	-61.5	0	0	0	0	111.7	F307 N310 G319 M320 L321 A325 T326 V327 W343	F307-T323 HydrophobicContact CB-CG2 4.24Å; F307-T323 HydrophobicContact CD2-CG2 3.74Å; F307-T323 HydrophobicContact CG-CG2 4.46Å; N310-T323 PolarHBondContact ND2-OG1 2.88Å; G319-T323 VanDerWaalsContact O-CB 3.25Å; G319-T323 WeakPolarHBondContact O-CB 3.12Å; G319-T323 PolarHBondContact O-N 3.13Å; G319-T323 PolarHBondContact O-OG1 2.93Å; M320-T323 WeakPolarHBondContact O-CB 3.41Å; M320-T323 PolarHBondContact O-N 3.02Å; L321-T323 VanDerWaalsContact C-N 3.26Å; L321-T323 PolarHBondContact O-N 3.01Å; T323-A325 PolarHBondContact O-N 3.13Å; T323-T326 WeakPolarHBondContact O-CB 3.36Å; T323-T326 PolarHBondContact O-N 3.12Å; T323-T326 VanDerWaalsContact O-N 3.12Å; T323-V327 WeakPolarHBondContact O-CG2 3.3Å; T323-V327 PolarHBondContact O-N 3.03Å; T323-W343 HydrophobicContact CG2-CH2 3.72Å; T323-W343 HydrophobicContact CG2-CZ3 3.39Å
324	A	95.4	Very high	95.2	Very high	58 Å²	58	61.6 Å²	61.6	48%	0.479	36%	0.361	S	S	.	.	H	α-helix	trans	-59.3	-45.5	179.1	0	0	0	0	0	111.7	M320 L321 T326 V327 A328	M320-A324 WeakPolarHBondContact O-CB 3.36Å; M320-A324 PolarHBondContact O-N 3.03Å; L321-A324 PolarHBondContact O-N 2.98Å; A324-T326 VanDerWaalsContact C-N 3.31Å; A324-T326 PolarHBondContact O-N 2.85Å; A324-V327 PolarHBondContact O-N 2.83Å; A324-A328 VanDerWaalsContact O-CB 3.31Å; A324-A328 WeakPolarHBondContact O-CB 3.27Å; A324-A328 PolarHBondContact O-N 2.95Å
325	A	96.4	Very high	95.2	Very high	47 Å²	47	61.7 Å²	61.7	39%	0.388	36%	0.361	S	S	.	.	H	α-helix	trans	-59	-40.8	174.7	0	0	0	0	0	112.2	L321 T323 T329	L321-A325 WeakPolarHBondContact O-CB 3.42Å; L321-A325 PolarHBondContact O-N 3.01Å; T323-A325 PolarHBondContact O-N 3.13Å; A325-T329 VanDerWaalsContact O-CB 3.27Å; A325-T329 WeakPolarHBondContact O-CB 3.25Å; A325-T329 PolarHBondContact O-N 2.89Å; A325-T329 PolarHBondContact O-OG1 3.14Å
326	T	94.8	Very high	95.3	Very high	27 Å²	27	65 Å²	65	17%	0.166	38%	0.375	C	S	.	.	H	α-helix	trans	-65.3	-48.5	178.3	-56.6	0	0	0	0	111.3	Q322 T323 A324 K330 W343	Q322-T326 PolarHBondContact NE2-OG1 3.02Å; Q322-T326 WeakPolarHBondContact O-CB 3.13Å; Q322-T326 PolarHBondContact O-N 2.85Å; Q322-T326 PolarHBondContact O-OG1 2.8Å; T323-T326 WeakPolarHBondContact O-CB 3.36Å; T323-T326 PolarHBondContact O-N 3.12Å; T323-T326 VanDerWaalsContact O-N 3.12Å; A324-T326 VanDerWaalsContact C-N 3.31Å; A324-T326 PolarHBondContact O-N 2.85Å; T326-K330 HydrophobicContact CG2-CD 4.34Å; T326-K330 WeakPolarHBondContact O-CB 3.31Å; T326-K330 WeakPolarHBondContact O-CG 3.44Å; T326-K330 PolarHBondContact O-N 3.21Å; T326-W343 HydrophobicContact CG2-CZ2 4.33Å
327	V	94.8	Very high	95.4	Very high	46 Å²	46	68.5 Å²	68.5	28%	0.279	39%	0.388	S	S	.	.	H	α-helix	trans	-63.6	-46.1	178.8	174.8	0	0	0	0	111.1	T323 A324 T331 W343	T323-V327 WeakPolarHBondContact O-CG2 3.3Å; T323-V327 PolarHBondContact O-N 3.03Å; A324-V327 PolarHBondContact O-N 2.83Å; V327-T331 WeakPolarHBondContact O-CB 3.42Å; V327-T331 PolarHBondContact O-N 3.07Å; V327-T331 PolarHBondContact O-OG1 2.88Å; V327-W343 HydrophobicContact CG2-CD2 3.68Å; V327-W343 HydrophobicContact CG2-CE3 3.48Å; V327-W343 VanDerWaalsContact CG2-CE3 3.48Å; V327-W343 HydrophobicContact CG2-CH2 3.39Å; V327-W343 HydrophobicContact CG2-CZ2 3.57Å; V327-W343 HydrophobicContact CG2-CZ3 3.36Å
328	A	95.3	Very high	95.4	Very high	48 Å²	48	65.2 Å²	65.2	40%	0.397	36%	0.361	S	S	.	.	H	α-helix	trans	-60.9	-49.6	179	0	0	0	0	0	111.3	A324 K330 T331 I332	A324-A328 VanDerWaalsContact O-CB 3.31Å; A324-A328 WeakPolarHBondContact O-CB 3.27Å; A324-A328 PolarHBondContact O-N 2.95Å; A328-K330 PolarHBondContact O-N 3Å; A328-T331 PolarHBondContact O-N 2.86Å; A328-I332 WeakPolarHBondContact O-CG1 3.45Å; A328-I332 PolarHBondContact O-N 3.07Å
329	T	95.7	Very high	95.5	Very high	92 Å²	92	60.5 Å²	60.5	56%	0.564	34%	0.336	S	S	*	.	H	α-helix	trans	-61.5	-47.9	-179.1	-55.8	0	0	0	0	111.7	A325 K333	A325-T329 VanDerWaalsContact O-CB 3.27Å; A325-T329 WeakPolarHBondContact O-CB 3.25Å; A325-T329 PolarHBondContact O-N 2.89Å; A325-T329 PolarHBondContact O-OG1 3.14Å; T329-K333 WeakPolarHBondContact O-CB 3.42Å; T329-K333 PolarHBondContact O-N 3.44Å
330	K	94.8	Very high	95.6	Very high	48 Å²	48	63.1 Å²	63.1	21%	0.209	35%	0.348	C	S	.	.	H	α-helix	trans	-63.2	-45.4	176	-69.6	-173.8	-174.9	-175.2	0	111.2	E285 T326 A328 I332 K333 H334 Y341	E285-K330 IonicContact OE1-NZ 2.73Å; E285-K330 PolarHBondContact OE1-NZ 2.62Å; E285-K330 VanDerWaalsContact OE2-CE 3.25Å; E285-K330 WeakPolarHBondContact OE2-CE 3.46Å; E285-K330 IonicContact OE2-NZ 3.33Å; E285-K330 PolarHBondContact OE2-NZ 3.34Å; T326-K330 HydrophobicContact CG2-CD 4.34Å; T326-K330 WeakPolarHBondContact O-CB 3.31Å; T326-K330 WeakPolarHBondContact O-CG 3.44Å; T326-K330 PolarHBondContact O-N 3.21Å; A328-K330 PolarHBondContact O-N 3Å; K330-I332 PolarHBondContact O-N 3.19Å; K330-K333 PolarHBondContact O-N 2.93Å; K330-H334 PolarHBondContact O-CD2 2.95Å; K330-H334 PolarHBondContact O-N 2.94Å; K330-Y341 HydrophobicContact CB-CD1 3.68Å; K330-Y341 HydrophobicContact CB-CE1 3.63Å; K330-Y341 HydrophobicContact CB-CG 4.25Å; K330-Y341 HydrophobicContact CD-CD1 4.46Å; K330-Y341 HydrophobicContact CD-CE1 3.62Å; K330-Y341 HydrophobicContact CD-CE2 4.13Å; K330-Y341 VanDerWaalsContact CD-CZ 3.41Å; K330-Y341 WeakPolarHBondContact CD-OH 3.28Å; K330-Y341 HydrophobicContact CG-CE1 4.29Å; K330-Y341 PolarHBondContact NZ-OH 3.39Å
331	T	94.8	Very high	95.7	Very high	30 Å²	30	59.6 Å²	59.6	18%	0.184	33%	0.331	C	S	.	.	H	α-helix	trans	-58.9	-47.4	-179.7	-60.2	0	0	0	0	111.7	V327 A328 H334 L335	V327-T331 WeakPolarHBondContact O-CB 3.42Å; V327-T331 PolarHBondContact O-N 3.07Å; V327-T331 PolarHBondContact O-OG1 2.88Å; A328-T331 PolarHBondContact O-N 2.86Å; T331-H334 PolarHBondContact O-N 3.39Å; T331-L335 WeakPolarHBondContact O-CB 3.22Å; T331-L335 PolarHBondContact O-N 3.39Å
332	I	96.1	Very high	95.8	Very high	111 Å²	111	58.4 Å²	58.4	57%	0.569	32%	0.318	S	S	*	.	H	α-helix	trans	-64.4	-48.8	178	-65.7	165.9	0	0	0	110.6	A328 K330 H334 L335 V336	A328-I332 WeakPolarHBondContact O-CG1 3.45Å; A328-I332 PolarHBondContact O-N 3.07Å; K330-I332 PolarHBondContact O-N 3.19Å; I332-H334 PolarHBondContact O-N 3.23Å; I332-H334 VanDerWaalsContact O-N 3.15Å; I332-L335 PolarHBondContact O-N 3.48Å; I332-V336 PolarHBondContact O-N 3.35Å; I332-V336 VanDerWaalsContact O-N 3.13Å
333	K	95.2	Very high	95.8	Very high	122 Å²	122	55.2 Å²	55.2	53%	0.53	30%	0.302	S	S	.	.	H	α-helix	trans	-55.1	-32.4	179.5	179.6	-175.7	178.5	-173.5	0	113.7	T329 K330 V336	T329-K333 WeakPolarHBondContact O-CB 3.42Å; T329-K333 PolarHBondContact O-N 3.44Å; K330-K333 PolarHBondContact O-N 2.93Å; K333-V336 WeakPolarHBondContact O-CG2 3.44Å
334	H	94.6	Very high	95.7	Very high	15 Å²	15	54.7 Å²	54.7	7%	0.069	30%	0.299	C	S	.	.	H	α-helix	trans	-95	-31.6	-179.4	-67.8	-61.1	0	0	0	112.8	L289 K330 T331 I332 V336 K337 G338 V339	L289-H334 VanDerWaalsContact CD1-CE1 3.5Å; L289-H334 WeakPolarHBondContact CD1-CE1 3.41Å; L289-H334 HydrophobicContact CD2-CB 4.24Å; K330-H334 PolarHBondContact O-CD2 2.95Å; K330-H334 PolarHBondContact O-N 2.94Å; T331-H334 PolarHBondContact O-N 3.39Å; I332-H334 PolarHBondContact O-N 3.23Å; I332-H334 VanDerWaalsContact O-N 3.15Å; H334-V336 VanDerWaalsContact C-N 3.33Å; H334-V336 PolarHBondContact O-N 2.85Å; H334-K337 CarbonylContact O-C 3.25Å; H334-K337 WeakPolarHBondContact O-CA 3.49Å; H334-K337 WeakPolarHBondContact O-CB 3.32Å; H334-K337 PolarHBondContact O-N 3.12Å; H334-G338 PolarHBondContact O-N 2.92Å; H334-V339 CarbonylContact C-O 3.55Å; H334-V339 HydrophobicContact CB-CG2 4.11Å; H334-V339 PolarHBondContact O-N 2.73Å
335	L	95.2	Very high	95.6	Very high	86 Å²	86	56.3 Å²	56.3	45%	0.45	30%	0.295	S	S	.	.	H	α-helix	trans	-61.5	-39.2	173.9	-174.3	65.4	0	0	0	112.1	T331 I332 K337 G338 V339	T331-L335 WeakPolarHBondContact O-CB 3.22Å; T331-L335 PolarHBondContact O-N 3.39Å; I332-L335 PolarHBondContact O-N 3.48Å; L335-K337 PolarHBondContact O-N 2.98Å; L335-K337 VanDerWaalsContact O-N 3.16Å; L335-G338 PolarHBondContact O-N 3.41Å; L335-V339 PolarHBondContact N-O 3.38Å
336	V	95.5	Very high	95.5	Very high	104 Å²	104	55.8 Å²	55.8	63%	0.63	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-11	174.2	-59.9	0	0	0	0	113.9	I332 K333 H334	I332-V336 PolarHBondContact O-N 3.35Å; I332-V336 VanDerWaalsContact O-N 3.13Å; K333-V336 WeakPolarHBondContact O-CG2 3.44Å; H334-V336 VanDerWaalsContact C-N 3.33Å; H334-V336 PolarHBondContact O-N 2.85Å
337	K	94.9	Very high	95.4	Very high	125 Å²	125	56.1 Å²	56.1	54%	0.543	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	7.7	171.1	-58.8	-173.7	175.9	-162.9	0	112.7	H334 L335	H334-K337 CarbonylContact O-C 3.25Å; H334-K337 WeakPolarHBondContact O-CA 3.49Å; H334-K337 WeakPolarHBondContact O-CB 3.32Å; H334-K337 PolarHBondContact O-N 3.12Å; L335-K337 PolarHBondContact O-N 2.98Å; L335-K337 VanDerWaalsContact O-N 3.16Å
338	G	96.1	Very high	95.2	Very high	5 Å²	5	56 Å²	56	5%	0.052	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	18.3	178.4	0	0	0	0	0	115.4	W295 H334 L335	W295-G338 VanDerWaalsContact CD2-CA 3.49Å; W295-G338 VanDerWaalsContact CZ3-CA 3.49Å; W295-G338 PolarHBondContact N-O 3.01Å; H334-G338 PolarHBondContact O-N 2.92Å; L335-G338 PolarHBondContact O-N 3.41Å
339	V	97.6	Very high	95.2	Very high	6 Å²	6	55.4 Å²	55.4	4%	0.036	28%	0.283	C	S	.	.			trans	-131.6	145.1	-178.6	-57.1	0	0	0	0	111.6	L289 L292 H334 L335	L289-V339 HydrophobicContact CD2-CG2 4.04Å; L292-V339 HydrophobicContact CB-CB 4.34Å; L292-V339 HydrophobicContact CB-CG1 3.73Å; L292-V339 HydrophobicContact CD1-CB 3.91Å; L292-V339 HydrophobicContact CD1-CG1 4.23Å; L292-V339 HydrophobicContact CD1-CG2 4.3Å; H334-V339 CarbonylContact C-O 3.55Å; H334-V339 HydrophobicContact CB-CG2 4.11Å; H334-V339 PolarHBondContact O-N 2.73Å; L335-V339 PolarHBondContact N-O 3.38Å
340	H	97.8	Very high	95.3	Very high	55 Å²	55	51.1 Å²	51.1	26%	0.255	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.2	-178	-56.4	-75.8	0	0	0	111.5	G297 A298 K299 Y300	G297-H340 PolarHBondContact O-CD2 2.86Å; A298-H340 PolarHBondContact O-N 3.46Å; K299-H340 CarbonylContact C-O 3.57Å; K299-H340 WeakPolarHBondContact CA-O 3.41Å; K299-H340 HydrophobicContact CB-CB 4.5Å; K299-H340 HydrophobicContact CG-CB 4.11Å; Y300-H340 PolarHBondContact N-O 3.45Å
341	Y	97.8	Very high	95.4	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.1	167.5	179.9	-92.3	0	0	0	110.6	E285 L289 Y300 T302 K330 W343	E285-Y341 HydrophobicContact CG-CE2 4.36Å; E285-Y341 PolarHBondContact OE1-OH 2.69Å; L289-Y341 HydrophobicContact CD1-CD2 4.06Å; L289-Y341 HydrophobicContact CD1-CE2 4.46Å; L289-Y341 HydrophobicContact CD2-CD2 4.37Å; Y300-Y341 AromaticContact CD1-CD2 3.64Å; Y300-Y341 HydrophobicContact CD1-CD2 3.64Å; Y300-Y341 AromaticContact CD1-CE2 3.73Å; Y300-Y341 HydrophobicContact CD1-CE2 3.73Å; Y300-Y341 HydrophobicContact CE1-CD2 4.3Å; Y300-Y341 AromaticContact CE1-CE2 3.96Å; Y300-Y341 HydrophobicContact CE1-CE2 3.96Å; Y300-Y341 HydrophobicContact CG-CD2 4.38Å; T302-Y341 HydrophobicContact CG2-CE2 4.4Å; K330-Y341 HydrophobicContact CB-CD1 3.68Å; K330-Y341 HydrophobicContact CB-CE1 3.63Å; K330-Y341 HydrophobicContact CB-CG 4.25Å; K330-Y341 HydrophobicContact CD-CD1 4.46Å; K330-Y341 HydrophobicContact CD-CE1 3.62Å; K330-Y341 HydrophobicContact CD-CE2 4.13Å; K330-Y341 VanDerWaalsContact CD-CZ 3.41Å; K330-Y341 WeakPolarHBondContact CD-OH 3.28Å; K330-Y341 HydrophobicContact CG-CE1 4.29Å; K330-Y341 PolarHBondContact NZ-OH 3.39Å; Y341-W343 AromaticContact CE1-CD1 3.62Å; Y341-W343 AromaticContact CE1-NE1 3.32Å; Y341-W343 VanDerWaalsContact CE1-NE1 3.32Å; Y341-W343 AromaticContact CZ-CD1 3.8Å; Y341-W343 AromaticContact CZ-NE1 3.4Å; Y341-W343 PolarHBondContact OH-NE1 2.79Å
342	R	97.3	Very high	95.5	Very high	95 Å²	95	51.3 Å²	51.3	36%	0.358	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.2	-178.9	-64.2	-66.1	179	-103.1	9.1	111.5	T198 Y300 V301 T302	T198-R342 HydrophobicContact CG2-CB 3.51Å; T198-R342 HydrophobicContact CG2-CG 4.02Å; Y300-R342 PolarHBondContact O-N 2.96Å; V301-R342 WeakPolarHBondContact CA-O 3.27Å; V301-R342 HydrophobicContact CG2-CB 4.37Å; T302-R342 PolarHBondContact N-O 3.18Å; T302-R342 VanDerWaalsContact N-O 3.16Å
343	W	96.9	Very high	95.6	Very high	26 Å²	26	46 Å²	46	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.6	170	-72.5	-2.4	0	0	0	109.2	T302 T305 P306 F307 T323 T326 V327 Y341 F345	T302-W343 WeakPolarHBondContact O-CA 3.16Å; T305-W343 HydrophobicContact CG2-CB 3.8Å; T305-W343 HydrophobicContact CG2-CD2 3.45Å; T305-W343 VanDerWaalsContact CG2-CD2 3.45Å; T305-W343 HydrophobicContact CG2-CE3 3.8Å; T305-W343 HydrophobicContact CG2-CG 3.47Å; T305-W343 VanDerWaalsContact CG2-CG 3.47Å; T305-W343 HydrophobicContact CG2-CZ3 4.47Å; P306-W343 HydrophobicContact CG-CH2 3.87Å; P306-W343 HydrophobicContact CG-CZ2 4.07Å; F307-W343 HydrophobicContact CB-CZ3 4.17Å; T323-W343 HydrophobicContact CG2-CH2 3.72Å; T323-W343 HydrophobicContact CG2-CZ3 3.39Å; T326-W343 HydrophobicContact CG2-CZ2 4.33Å; V327-W343 HydrophobicContact CG2-CD2 3.68Å; V327-W343 HydrophobicContact CG2-CE3 3.48Å; V327-W343 VanDerWaalsContact CG2-CE3 3.48Å; V327-W343 HydrophobicContact CG2-CH2 3.39Å; V327-W343 HydrophobicContact CG2-CZ2 3.57Å; V327-W343 HydrophobicContact CG2-CZ3 3.36Å; Y341-W343 AromaticContact CE1-CD1 3.62Å; Y341-W343 AromaticContact CE1-NE1 3.32Å; Y341-W343 VanDerWaalsContact CE1-NE1 3.32Å; Y341-W343 AromaticContact CZ-CD1 3.8Å; Y341-W343 AromaticContact CZ-NE1 3.4Å; Y341-W343 PolarHBondContact OH-NE1 2.79Å; W343-F345 HydrophobicContact CB-CE2 3.89Å; W343-F345 HydrophobicContact CB-CZ 4.34Å; W343-F345 HydrophobicContact CE3-CE2 4.19Å; W343-F345 AromaticContact CE3-CZ 3.76Å; W343-F345 HydrophobicContact CE3-CZ 3.76Å; W343-F345 HydrophobicContact CZ3-CZ 4.46Å
344	G	93.6	Very high	95.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.01	23%	0.228	C	C	.	.			trans	-96.2	144.9	169	0	0	0	0	0	110.1	T302 L303	T302-G344 PolarHBondContact O-N 3.34Å; L303-G344 WeakPolarHBondContact CD2-O 3.49Å
345	F	93.3	Very high	95.9	Very high	93 Å²	93	47.5 Å²	47.5	41%	0.408	25%	0.247	S	C	.	.			trans	-131	148.7	174.9	-68.5	-81.9	0	0	0	109.9	S193 T305 F307 W343 A347	S193-F345 WeakPolarHBondContact CB-O 3.31Å; S193-F345 PolarHBondContact OG-O 3.27Å; T305-F345 HydrophobicContact CG2-CE1 4.4Å; T305-F345 HydrophobicContact CG2-CZ 4.3Å; F307-F345 HydrophobicContact CB-CE1 4.15Å; F307-F345 HydrophobicContact CB-CZ 4.22Å; F307-F345 HydrophobicContact CD1-CE1 4.02Å; F307-F345 HydrophobicContact CD1-CZ 4.44Å; F307-F345 HydrophobicContact CG-CE1 4.33Å; F307-F345 HydrophobicContact CG-CZ 4.41Å; W343-F345 HydrophobicContact CB-CE2 3.89Å; W343-F345 HydrophobicContact CB-CZ 4.34Å; W343-F345 HydrophobicContact CE3-CE2 4.19Å; W343-F345 AromaticContact CE3-CZ 3.76Å; W343-F345 HydrophobicContact CE3-CZ 3.76Å; W343-F345 HydrophobicContact CZ3-CZ 4.46Å; F345-A347 PolarHBondContact O-N 3.43Å
346	F	94.4	Very high	96	Very high	36 Å²	36	43.4 Å²	43.4	16%	0.158	23%	0.226	C	C	.	.			trans	-51.7	134	164.7	164	-98.4	0	0	0	110.4	A149 Y186 T189 P348	A149-F346 HydrophobicContact CB-CE2 3.56Å; A149-F346 HydrophobicContact CB-CZ 3.9Å; Y186-F346 AromaticContact CD2-CD2 3.63Å; Y186-F346 HydrophobicContact CD2-CD2 3.63Å; Y186-F346 AromaticContact CD2-CE2 3.52Å; Y186-F346 HydrophobicContact CD2-CE2 3.52Å; Y186-F346 HydrophobicContact CD2-CG 4.21Å; Y186-F346 HydrophobicContact CD2-CZ 4.01Å; Y186-F346 HydrophobicContact CE2-CB 4.3Å; Y186-F346 AromaticContact CE2-CD1 3.87Å; Y186-F346 HydrophobicContact CE2-CD1 3.87Å; Y186-F346 AromaticContact CE2-CD2 3.46Å; Y186-F346 HydrophobicContact CE2-CD2 3.46Å; Y186-F346 VanDerWaalsContact CE2-CD2 3.46Å; Y186-F346 HydrophobicContact CE2-CE1 4.07Å; Y186-F346 AromaticContact CE2-CE2 3.68Å; Y186-F346 HydrophobicContact CE2-CE2 3.68Å; Y186-F346 AromaticContact CE2-CG 3.56Å; Y186-F346 HydrophobicContact CE2-CG 3.56Å; Y186-F346 AromaticContact CE2-CZ 3.97Å; Y186-F346 HydrophobicContact CE2-CZ 3.97Å; Y186-F346 HydrophobicContact CG-CD2 4.26Å; Y186-F346 HydrophobicContact CG-CE2 4.33Å; Y186-F346 AromaticContact CZ-CD2 3.95Å; Y186-F346 AromaticContact CZ-CG 3.83Å; T189-F346 VanDerWaalsContact OG1-CE2 3.32Å; T189-F346 WeakPolarHBondContact OG1-CE2 3.37Å; F346-P348 HydrophobicContact CE1-CB 4.34Å; F346-P348 HydrophobicContact CE1-CG 4.43Å; F346-P348 HydrophobicContact CZ-CB 3.92Å; F346-P348 HydrophobicContact CZ-CG 4.48Å
347	A	91.8	Very high	96.2	Very high	33 Å²	33	38.8 Å²	38.8	27%	0.273	20%	0.199	S	C	.	.			trans	-137.6	120.2	174.4	0	0	0	0	0	109.1	T189 F345	T189-A347 WeakPolarHBondContact CB-O 3.35Å; F345-A347 PolarHBondContact O-N 3.43Å
348	P	91.1	Very high	96.3	Very high	43 Å²	43	39.8 Å²	39.8	28%	0.279	21%	0.206	S	C	.	.			trans	-67.4	133.9	177	31.8	-36.4	0	0	0	109.4	P151 E168 F346	P151-P348 HydrophobicContact CG-CB 4.33Å; P151-P348 HydrophobicContact CG-CG 4.14Å; E168-P348 HydrophobicContact CB-CB 4.48Å; E168-P348 HydrophobicContact CG-CB 4.2Å; F346-P348 HydrophobicContact CE1-CB 4.34Å; F346-P348 HydrophobicContact CE1-CG 4.43Å; F346-P348 HydrophobicContact CZ-CB 3.92Å; F346-P348 HydrophobicContact CZ-CG 4.48Å
349	S	95.4	Very high	96.4	Very high	37 Å²	37	40.2 Å²	40.2	26%	0.259	21%	0.206	S	C	.	.			trans	-158.9	108.1	179.9	-179.7	0	0	0	0	111	A352 L353	S349-A352 WeakPolarHBondContact OG-CB 3.48Å; S349-A352 PolarHBondContact OG-N 3.44Å; S349-L353 WeakPolarHBondContact O-CG 3.44Å; S349-L353 PolarHBondContact O-N 2.64Å; S349-L353 VanDerWaalsContact O-N 3.17Å
350	G	96.6	Very high	96.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-55.2	-51.8	167.2	0	0	0	0	0	112.6	N167 I169 A352 L353 D354	N167-G350 PolarHBondContact O-N 3.19Å; I169-G350 WeakPolarHBondContact O-CA 3.48Å; G350-A352 VanDerWaalsContact C-N 3.3Å; G350-A352 PolarHBondContact O-N 2.94Å; G350-L353 CarbonylContact O-C 3.43Å; G350-L353 WeakPolarHBondContact O-CA 3.45Å; G350-L353 WeakPolarHBondContact O-CB 3.34Å; G350-L353 PolarHBondContact O-N 3.07Å; G350-D354 PolarHBondContact O-N 3.37Å
351	P	96.6	Very high	96.5	Very high	79 Å²	79	40.8 Å²	40.8	51%	0.513	21%	0.211	S	C	.	.	H	α-helix	trans	-57.9	-36.2	179.5	-28.7	36.6	0	0	0	114.7	D354 E355	P351-D354 PolarHBondContact O-N 2.65Å; P351-E355 PolarHBondContact O-N 3.43Å
352	A	97.2	Very high	96.5	Very high	3 Å²	3	44 Å²	44	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-69.5	-36.9	173.9	0	0	0	0	0	111.5	W192 S349 G350 D354 E355 I356	W192-A352 HydrophobicContact CD2-CB 4.17Å; W192-A352 HydrophobicContact CG-CB 4.05Å; S349-A352 WeakPolarHBondContact OG-CB 3.48Å; S349-A352 PolarHBondContact OG-N 3.44Å; G350-A352 VanDerWaalsContact C-N 3.3Å; G350-A352 PolarHBondContact O-N 2.94Å; A352-D354 VanDerWaalsContact C-N 3.29Å; A352-D354 PolarHBondContact O-N 3.02Å; A352-E355 PolarHBondContact O-N 3.33Å; A352-I356 WeakPolarHBondContact O-CB 3.41Å; A352-I356 VanDerWaalsContact O-CD1 3.25Å; A352-I356 WeakPolarHBondContact O-CD1 3.39Å; A352-I356 WeakPolarHBondContact O-CG1 3.3Å; A352-I356 PolarHBondContact O-N 3.33Å
353	L	98.4	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.4	-28.3	173.7	-70.7	173.6	0	0	0	112.6	W147 P185 T189 S349 G350 G357	W147-L353 HydrophobicContact CZ2-CD2 4.44Å; W147-L353 WeakPolarHBondContact CZ2-O 3.49Å; P185-L353 HydrophobicContact CB-CD1 4.21Å; P185-L353 HydrophobicContact CB-CD2 3.91Å; P185-L353 HydrophobicContact CG-CD2 4.4Å; T189-L353 HydrophobicContact CG2-CD1 4.4Å; T189-L353 HydrophobicContact CG2-CD2 3.84Å; T189-L353 HydrophobicContact CG2-CG 3.87Å; S349-L353 WeakPolarHBondContact O-CG 3.44Å; S349-L353 PolarHBondContact O-N 2.64Å; S349-L353 VanDerWaalsContact O-N 3.17Å; G350-L353 CarbonylContact O-C 3.43Å; G350-L353 WeakPolarHBondContact O-CA 3.45Å; G350-L353 WeakPolarHBondContact O-CB 3.34Å; G350-L353 PolarHBondContact O-N 3.07Å; L353-G357 PolarHBondContact O-N 3.2Å
354	D	98.2	Very high	96.6	Very high	65 Å²	65	45.2 Å²	45.2	35%	0.348	26%	0.264	S	S	.	.	H	α-helix	trans	-65.9	-51.2	172.6	-62.4	-38.5	0	0	0	110.7	S170 G350 P351 A352 I356 G357 E358	S170-D354 WeakPolarHBondContact CB-OD1 3.02Å; S170-D354 PolarHBondContact OG-N 3.25Å; S170-D354 PolarHBondContact OG-OD1 3.41Å; G350-D354 PolarHBondContact O-N 3.37Å; P351-D354 PolarHBondContact O-N 2.65Å; A352-D354 VanDerWaalsContact C-N 3.29Å; A352-D354 PolarHBondContact O-N 3.02Å; D354-I356 VanDerWaalsContact C-N 3.32Å; D354-I356 PolarHBondContact O-N 2.72Å; D354-G357 WeakPolarHBondContact O-CA 3.14Å; D354-G357 PolarHBondContact O-N 3.07Å; D354-E358 PolarHBondContact O-N 3.27Å
355	E	97.7	Very high	96.8	Very high	104 Å²	104	45.3 Å²	45.3	49%	0.486	26%	0.264	S	S	.	.	H	α-helix	trans	-57.8	-43.3	174.2	-70.1	-173.6	-113.7	0	0	112	W192 P351 A352 G357 E358 M359	W192-E355 HydrophobicContact CH2-CB 3.97Å; W192-E355 HydrophobicContact CH2-CG 4.46Å; W192-E355 WeakPolarHBondContact CH2-OE2 3.17Å; P351-E355 PolarHBondContact O-N 3.43Å; A352-E355 PolarHBondContact O-N 3.33Å; E355-G357 VanDerWaalsContact C-N 3.28Å; E355-G357 PolarHBondContact O-N 3.23Å; E355-E358 PolarHBondContact O-N 3.21Å; E355-M359 WeakPolarHBondContact O-CG 3.01Å; E355-M359 PolarHBondContact O-N 2.73Å
356	I	98.2	Very high	97	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-35.1	176.4	-68.8	163.6	0	0	0	111	W147 I184 A188 W192 F223 A352 D354 M359 V360	W147-I356 HydrophobicContact CH2-CG2 4.07Å; W147-I356 HydrophobicContact CZ2-CG2 4.34Å; I184-I356 HydrophobicContact CG2-CG2 4.09Å; A188-I356 HydrophobicContact CB-CD1 3.77Å; A188-I356 HydrophobicContact CB-CG2 4.27Å; W192-I356 HydrophobicContact CD2-CD1 4.41Å; W192-I356 HydrophobicContact CE3-CD1 3.93Å; W192-I356 HydrophobicContact CE3-CG1 3.9Å; W192-I356 HydrophobicContact CZ3-CG1 4.08Å; F223-I356 HydrophobicContact CE2-CG1 4.48Å; F223-I356 HydrophobicContact CE2-CG2 3.71Å; F223-I356 HydrophobicContact CZ-CD1 3.9Å; F223-I356 HydrophobicContact CZ-CG1 3.92Å; F223-I356 HydrophobicContact CZ-CG2 4.01Å; A352-I356 WeakPolarHBondContact O-CB 3.41Å; A352-I356 VanDerWaalsContact O-CD1 3.25Å; A352-I356 WeakPolarHBondContact O-CD1 3.39Å; A352-I356 WeakPolarHBondContact O-CG1 3.3Å; A352-I356 PolarHBondContact O-N 3.33Å; D354-I356 VanDerWaalsContact C-N 3.32Å; D354-I356 PolarHBondContact O-N 2.72Å; I356-M359 PolarHBondContact O-N 2.89Å; I356-V360 WeakPolarHBondContact O-CG2 3.29Å; I356-V360 PolarHBondContact O-N 3.36Å
357	G	98.4	Very high	97.1	Very high	6 Å²	6	47 Å²	47	6%	0.062	27%	0.272	C	S	.	.	H	α-helix	trans	-67.6	-39.4	178.1	0	0	0	0	0	112.7	L353 D354 E355 M359 V360 D361	L353-G357 PolarHBondContact O-N 3.2Å; D354-G357 WeakPolarHBondContact O-CA 3.14Å; D354-G357 PolarHBondContact O-N 3.07Å; E355-G357 VanDerWaalsContact C-N 3.28Å; E355-G357 PolarHBondContact O-N 3.23Å; G357-M359 VanDerWaalsContact C-N 3.33Å; G357-M359 PolarHBondContact O-N 3.1Å; G357-V360 PolarHBondContact O-N 2.83Å; G357-D361 PolarHBondContact O-N 3.37Å
358	E	98.3	Very high	97.3	Very high	147 Å²	147	46.6 Å²	46.6	69%	0.687	27%	0.266	S	S	*	.	H	α-helix	trans	-59.8	-42.5	170.2	-66.5	-173.3	173.3	0	0	111.7	D354 E355 V360 D361 A362	D354-E358 PolarHBondContact O-N 3.27Å; E355-E358 PolarHBondContact O-N 3.21Å; E358-V360 VanDerWaalsContact C-N 3.31Å; E358-V360 PolarHBondContact O-N 3.16Å; E358-D361 PolarHBondContact O-N 3.45Å; E358-A362 WeakPolarHBondContact O-CB 3.32Å; E358-A362 PolarHBondContact O-N 2.99Å
359	M	98.3	Very high	97.6	Very high	13 Å²	13	46.9 Å²	46.9	6%	0.064	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-32.3	176.7	-64.5	-176.8	73.9	0	0	113	M227 A230 W231 E355 I356 G357 Q364 I365	M227-M359 HydrophobicContact CB-CE 4.49Å; M227-M359 HydrophobicContact CG-CE 4.03Å; M227-M359 HydrophobicContact CG-SD 4.27Å; A230-M359 HydrophobicContact CB-CE 3.42Å; A230-M359 VanDerWaalsContact CB-CE 3.42Å; W231-M359 HydrophobicContact CZ2-SD 4.49Å; E355-M359 WeakPolarHBondContact O-CG 3.01Å; E355-M359 PolarHBondContact O-N 2.73Å; I356-M359 PolarHBondContact O-N 2.89Å; G357-M359 VanDerWaalsContact C-N 3.33Å; G357-M359 PolarHBondContact O-N 3.1Å; M359-Q364 HydrophobicContact CB-CB 4.43Å; M359-Q364 WeakPolarHBondContact O-CA 3.47Å; M359-Q364 WeakPolarHBondContact O-CB 3.3Å; M359-Q364 PolarHBondContact O-N 2.91Å; M359-I365 HydrophobicContact CB-CD1 3.78Å; M359-I365 HydrophobicContact CB-CG1 4.04Å; M359-I365 HydrophobicContact CE-CD1 3.96Å; M359-I365 HydrophobicContact CE-CG1 4.31Å; M359-I365 PolarHBondContact O-N 2.91Å; M359-I365 HydrophobicContact SD-CD1 4.05Å
360	V	98.6	Very high	97.6	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-70.7	-49.4	173.8	169.9	0	0	0	0	111	W147 P173 I176 I184 I356 G357 E358 A362 G363 I365	W147-V360 HydrophobicContact CH2-CG2 4.25Å; P173-V360 HydrophobicContact CB-CB 4.03Å; P173-V360 HydrophobicContact CB-CG1 3.66Å; P173-V360 HydrophobicContact CG-CB 4.02Å; P173-V360 HydrophobicContact CG-CG1 3.91Å; I176-V360 HydrophobicContact CD1-CG1 3.83Å; I176-V360 HydrophobicContact CG1-CG1 4.22Å; I176-V360 HydrophobicContact CG2-CG1 4.05Å; I184-V360 HydrophobicContact CD1-CG2 4.04Å; I356-V360 WeakPolarHBondContact O-CG2 3.29Å; I356-V360 PolarHBondContact O-N 3.36Å; G357-V360 PolarHBondContact O-N 2.83Å; E358-V360 VanDerWaalsContact C-N 3.31Å; E358-V360 PolarHBondContact O-N 3.16Å; V360-A362 VanDerWaalsContact C-N 3.26Å; V360-A362 PolarHBondContact O-N 3.38Å; V360-G363 WeakPolarHBondContact O-CA 3.45Å; V360-G363 PolarHBondContact O-N 2.79Å; V360-I365 HydrophobicContact CG2-CB 3.94Å; V360-I365 HydrophobicContact CG2-CG2 4.08Å
361	D	98.5	Very high	97.6	Very high	68 Å²	68	52.5 Å²	52.5	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-66.9	-26.8	179	-81.6	-8	0	0	0	112.7	P173 K174 S175 G357 E358 G363	P173-D361 VanDerWaalsContact CB-OD1 3.23Å; P173-D361 WeakPolarHBondContact CB-OD1 3.49Å; K174-D361 PolarHBondContact N-OD1 2.82Å; K174-D361 PolarHBondContact N-OD2 3.06Å; S175-D361 WeakPolarHBondContact CB-OD1 3.35Å; S175-D361 PolarHBondContact N-OD1 2.96Å; S175-D361 PolarHBondContact OG-OD1 3.24Å; G357-D361 PolarHBondContact O-N 3.37Å; E358-D361 PolarHBondContact O-N 3.45Å; D361-G363 PolarHBondContact O-N 2.93Å
362	A	98.1	Very high	97.6	Very high	69 Å²	69	52.2 Å²	52.2	57%	0.57	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	0.5	168.7	0	0	0	0	0	114.2	E358 V360 Q364	E358-A362 WeakPolarHBondContact O-CB 3.32Å; E358-A362 PolarHBondContact O-N 2.99Å; V360-A362 VanDerWaalsContact C-N 3.26Å; V360-A362 PolarHBondContact O-N 3.38Å; A362-Q364 HydrophobicContact CB-CG 4.05Å; A362-Q364 PolarHBondContact O-N 2.99Å
363	G	97.8	Very high	97.7	Very high	56 Å²	56	52.8 Å²	52.8	58%	0.577	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	9.3	179.8	0	0	0	0	0	115.1	V360 D361	V360-G363 WeakPolarHBondContact O-CA 3.45Å; V360-G363 PolarHBondContact O-N 2.79Å; D361-G363 PolarHBondContact O-N 2.93Å
364	Q	97.9	Very high	97.7	Very high	91 Å²	91	55 Å²	55	43%	0.425	30%	0.303	S	S	.	.	S	Bend	trans	-77.4	-29.4	-179	-56.2	-175.6	-43.2	0	0	112.3	A230 M359 A362	A230-Q364 HydrophobicContact CB-CB 3.94Å; A230-Q364 HydrophobicContact CB-CG 4.44Å; M359-Q364 HydrophobicContact CB-CB 4.43Å; M359-Q364 WeakPolarHBondContact O-CA 3.47Å; M359-Q364 WeakPolarHBondContact O-CB 3.3Å; M359-Q364 PolarHBondContact O-N 2.91Å; A362-Q364 HydrophobicContact CB-CG 4.05Å; A362-Q364 PolarHBondContact O-N 2.99Å
365	I	98.3	Very high	97.7	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.015	29%	0.292	C	S	.	.	S	Bend	trans	-122.5	122.2	176.9	-59.3	179.8	0	0	0	109	F223 Q226 M227 M359 V360	F223-I365 HydrophobicContact CD2-CD1 4.41Å; F223-I365 HydrophobicContact CD2-CG2 4.02Å; F223-I365 HydrophobicContact CE2-CD1 3.64Å; F223-I365 HydrophobicContact CE2-CG2 4.07Å; F223-I365 HydrophobicContact CZ-CD1 3.91Å; Q226-I365 HydrophobicContact CB-CG1 4.19Å; M227-I365 HydrophobicContact CB-CD1 4.18Å; M359-I365 HydrophobicContact CB-CD1 3.78Å; M359-I365 HydrophobicContact CB-CG1 4.04Å; M359-I365 HydrophobicContact CE-CD1 3.96Å; M359-I365 HydrophobicContact CE-CG1 4.31Å; M359-I365 PolarHBondContact O-N 2.91Å; M359-I365 HydrophobicContact SD-CD1 4.05Å; V360-I365 HydrophobicContact CG2-CB 3.94Å; V360-I365 HydrophobicContact CG2-CG2 4.08Å
366	R	97.1	Very high	97.7	Very high	142 Å²	142	52.5 Å²	52.5	54%	0.536	30%	0.299	S	S	.	.			trans	-102	139.5	173.4	-64.5	172.6	-66.8	171.6	-1.3	110.5	Q226 G249 V368	Q226-R366 PolarHBondContact NE2-O 2.9Å; Q226-R366 VanDerWaalsContact NE2-O 3.07Å; G249-R366 PolarHBondContact O-NH2 3.04Å; R366-V368 PolarHBondContact O-N 3.21Å
367	A	96.6	Very high	97.7	Very high	23 Å²	23	55.9 Å²	55.9	19%	0.19	32%	0.315	C	S	.	.			trans	-64.8	124.3	171	0	0	0	0	0	110.5	Q180 I184	Q180-A367 HydrophobicContact CB-CB 3.78Å; Q180-A367 HydrophobicContact CG-CB 4.24Å; Q180-A367 WeakPolarHBondContact O-CB 3.46Å; I184-A367 HydrophobicContact CD1-CB 3.91Å; I184-A367 HydrophobicContact CG1-CB 4.35Å
368	V	96.3	Very high	97.7	Very high	23 Å²	23	55.6 Å²	55.6	14%	0.139	31%	0.312	C	S	.	.			trans	-101.6	85	176.4	-173.1	0	0	0	0	109.4	F246 L250 R366 K393	F246-V368 HydrophobicContact CE2-CG1 3.86Å; F246-V368 HydrophobicContact CZ-CG1 3.52Å; F246-V368 HydrophobicContact CZ-CG2 4.42Å; L250-V368 HydrophobicContact CD1-CG2 4.43Å; L250-V368 HydrophobicContact CD2-CG2 4.14Å; R366-V368 PolarHBondContact O-N 3.21Å; V368-K393 PolarHBondContact O-N 3.18Å
369	V	96.8	Very high	97.7	Very high	49 Å²	49	50.1 Å²	50.1	30%	0.297	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.3	171.5	-175.1	0	0	0	0	108.6	A183 T372 V395	A183-V369 HydrophobicContact CB-CG2 3.9Å; V369-T372 HydrophobicContact CG1-CG2 3.67Å; V369-V395 HydrophobicContact CG1-CG2 4.13Å; V369-V395 HydrophobicContact CG2-CG2 4.23Å
370	E	95	Very high	97.7	Very high	71 Å²	71	55.7 Å²	55.7	33%	0.332	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-43.9	176	-174.2	179.2	-150.9	0	0	111.2	K384 R391 K393	E370-K384 WeakPolarHBondContact OE2-CE 3.19Å; E370-K384 IonicContact OE2-NZ 3.02Å; E370-K384 PolarHBondContact OE2-NZ 3.09Å; E370-R391 WeakPolarHBondContact CB-O 3.37Å; E370-R391 HydrophobicContact CG-CB 4.11Å; E370-R391 VanDerWaalsContact OE1-CB 3.29Å; E370-R391 WeakPolarHBondContact OE1-CB 3.12Å; E370-R391 PolarHBondContact OE1-N 2.97Å; E370-R391 PolarHBondContact OE2-N 2.86Å; E370-K393 PolarHBondContact N-O 3.02Å
371	E	96.9	Very high	97.7	Very high	85 Å²	85	55.5 Å²	55.5	40%	0.397	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	143.3	-176.9	-163.2	174.3	178.6	0	0	110.8	F373 K384 T394 V395	E371-F373 HydrophobicContact CB-CE2 3.99Å; E371-F373 HydrophobicContact CG-CD2 4.35Å; E371-F373 HydrophobicContact CG-CE2 3.63Å; E371-F373 HydrophobicContact CG-CZ 3.92Å; E371-F373 VanDerWaalsContact OE1-CZ 3.26Å; E371-F373 WeakPolarHBondContact OE1-CZ 3.27Å; E371-K384 HydrophobicContact CB-CD 4.45Å; E371-K384 WeakPolarHBondContact OE2-CD 3.33Å; E371-K384 WeakPolarHBondContact OE2-CE 3.41Å; E371-K384 IonicContact OE2-NZ 2.75Å; E371-K384 PolarHBondContact OE2-NZ 2.76Å; E371-T394 WeakPolarHBondContact O-CA 3.45Å; E371-V395 PolarHBondContact O-N 2.75Å
372	T	98	Very high	97.7	Very high	73 Å²	73	52.2 Å²	52.2	45%	0.448	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.4	178.4	53.4	0	0	0	0	110.5	T179 V369 V395	T179-T372 HydrophobicContact CG2-CG2 3.56Å; V369-T372 HydrophobicContact CG1-CG2 3.67Å; T372-V395 CarbonylContact C-O 3.19Å; T372-V395 WeakPolarHBondContact CA-O 3.14Å
373	F	98.5	Very high	97.7	Very high	15 Å²	15	52.7 Å²	52.7	7%	0.066	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146	177.8	-69.4	-92.6	0	0	0	109.7	E371 Q377 K380 A381 K384 T394 V395 V396 E397	E371-F373 HydrophobicContact CB-CE2 3.99Å; E371-F373 HydrophobicContact CG-CD2 4.35Å; E371-F373 HydrophobicContact CG-CE2 3.63Å; E371-F373 HydrophobicContact CG-CZ 3.92Å; E371-F373 VanDerWaalsContact OE1-CZ 3.26Å; E371-F373 WeakPolarHBondContact OE1-CZ 3.27Å; F373-Q377 HydrophobicContact CB-CB 4.12Å; F373-Q377 HydrophobicContact CD1-CB 3.92Å; F373-K380 HydrophobicContact CD1-CB 4.39Å; F373-K380 HydrophobicContact CE1-CB 4.1Å; F373-A381 HydrophobicContact CB-CB 3.82Å; F373-A381 HydrophobicContact CD1-CB 4.06Å; F373-A381 HydrophobicContact CD2-CB 3.51Å; F373-A381 HydrophobicContact CE2-CB 4.06Å; F373-A381 HydrophobicContact CG-CB 3.51Å; F373-K384 HydrophobicContact CE2-CD 4Å; F373-K384 HydrophobicContact CZ-CB 4.34Å; F373-K384 HydrophobicContact CZ-CD 4.22Å; F373-T394 HydrophobicContact CD2-CG2 3.58Å; F373-T394 HydrophobicContact CE2-CG2 3.56Å; F373-V395 PolarHBondContact N-O 3.48Å; F373-V396 CarbonylContact O-C 3.54Å; F373-V396 VanDerWaalsContact O-CA 3.27Å; F373-V396 WeakPolarHBondContact O-CA 3.37Å; F373-E397 PolarHBondContact O-N 3.5Å
374	S	98.3	Very high	97.6	Very high	46 Å²	46	51.8 Å²	51.8	32%	0.322	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	160.9	168.3	65.2	0	0	0	0	111.3	S376 Q377	S374-S376 PolarHBondContact O-N 2.9Å; S374-S376 VanDerWaalsContact O-N 3.11Å; S374-S376 PolarHBondContact OG-OG 2.86Å; S374-Q377 WeakPolarHBondContact O-CA 3.46Å; S374-Q377 WeakPolarHBondContact O-CB 3.33Å; S374-Q377 PolarHBondContact O-N 3.21Å; S374-Q377 PolarHBondContact OG-OE1 3.05Å
375	F	98.2	Very high	97.6	Very high	28 Å²	28	48.6 Å²	48.6	12%	0.123	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-54.9	-31	-179.4	-162.6	-139.9	0	0	0	114.6	P47 W49 F62 Q377 V378 V396 E397 I398	P47-F375 HydrophobicContact CB-CE1 3.99Å; W49-F375 AromaticContact CD1-CD2 3.99Å; W49-F375 AromaticContact CD1-CE2 3.62Å; W49-F375 AromaticContact CD1-CZ 3.93Å; W49-F375 PolarHBondContact NE1-O 2.92Å; F62-F375 HydrophobicContact CE2-CD1 4.16Å; F62-F375 AromaticContact CE2-CE1 3.77Å; F62-F375 HydrophobicContact CE2-CE1 3.77Å; F62-F375 HydrophobicContact CE2-CZ 4.49Å; F375-Q377 PolarHBondContact O-N 3.48Å; F375-V378 HydrophobicContact CD2-CG2 4.14Å; F375-V378 WeakPolarHBondContact O-CG2 3.15Å; F375-V396 HydrophobicContact CD2-CG1 4.21Å; F375-E397 PolarHBondContact N-O 3.4Å; F375-I398 HydrophobicContact CD1-CG2 4.34Å; F375-I398 HydrophobicContact CD2-CB 4.2Å; F375-I398 HydrophobicContact CD2-CD1 4.01Å; F375-I398 HydrophobicContact CD2-CG1 3.75Å; F375-I398 HydrophobicContact CD2-CG2 3.97Å; F375-I398 HydrophobicContact CE1-CG2 4.31Å; F375-I398 HydrophobicContact CE2-CD1 3.82Å; F375-I398 HydrophobicContact CE2-CG1 4.07Å; F375-I398 HydrophobicContact CE2-CG2 3.95Å; F375-I398 HydrophobicContact CG-CG1 4.48Å; F375-I398 HydrophobicContact CG-CG2 4.18Å; F375-I398 HydrophobicContact CZ-CG2 4.12Å
376	S	97.8	Very high	97.5	Very high	90 Å²	90	53 Å²	53	63%	0.629	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-73.4	-10.9	176.2	58.9	0	0	0	0	113.9	S374	S374-S376 PolarHBondContact O-N 2.9Å; S374-S376 VanDerWaalsContact O-N 3.11Å; S374-S376 PolarHBondContact OG-OG 2.86Å
377	Q	98.3	Very high	97.4	Very high	71 Å²	71	52.7 Å²	52.7	33%	0.332	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-105.1	11	-177.2	-61.2	168.6	-69.4	0	0	113.4	F373 S374 F375 P379 K380 A381	F373-Q377 HydrophobicContact CB-CB 4.12Å; F373-Q377 HydrophobicContact CD1-CB 3.92Å; S374-Q377 WeakPolarHBondContact O-CA 3.46Å; S374-Q377 WeakPolarHBondContact O-CB 3.33Å; S374-Q377 PolarHBondContact O-N 3.21Å; S374-Q377 PolarHBondContact OG-OE1 3.05Å; F375-Q377 PolarHBondContact O-N 3.48Å; Q377-P379 VanDerWaalsContact C-CD 3.47Å; Q377-P379 VanDerWaalsContact C-N 3.31Å; Q377-K380 WeakPolarHBondContact O-CA 3.35Å; Q377-K380 WeakPolarHBondContact O-CB 3.44Å; Q377-K380 PolarHBondContact O-N 3.39Å; Q377-A381 PolarHBondContact O-N 3.11Å
378	V	98.6	Very high	97.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-46.2	-43.6	177.6	163.5	0	0	0	0	114	W49 L158 F375 K380 A381 L382 V396	W49-V378 HydrophobicContact CB-CG1 4.14Å; W49-V378 HydrophobicContact CD2-CB 3.98Å; W49-V378 HydrophobicContact CD2-CG1 4.05Å; W49-V378 HydrophobicContact CG-CB 3.92Å; W49-V378 HydrophobicContact CG-CG1 3.82Å; W49-V378 HydrophobicContact CG-CG2 4.17Å; W49-V378 HydrophobicContact CZ2-CB 4.46Å; L158-V378 HydrophobicContact CD1-CG1 3.95Å; L158-V378 HydrophobicContact CD2-CG2 4.07Å; F375-V378 HydrophobicContact CD2-CG2 4.14Å; F375-V378 WeakPolarHBondContact O-CG2 3.15Å; V378-K380 VanDerWaalsContact C-N 3.34Å; V378-K380 PolarHBondContact O-N 2.85Å; V378-A381 WeakPolarHBondContact O-CB 3.3Å; V378-A381 PolarHBondContact O-N 3.21Å; V378-L382 HydrophobicContact CG1-CD1 3.96Å; V378-L382 PolarHBondContact O-N 2.96Å; V378-V396 HydrophobicContact CG2-CG1 3.69Å; V378-V396 HydrophobicContact CG2-CG2 4.11Å
379	P	98.5	Very high	96.6	Very high	32 Å²	32	59.7 Å²	59.7	21%	0.208	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-39.7	175.8	-26.4	35.8	0	0	0	113.6	W49 N57 L60 Q377 E383	W49-P379 HydrophobicContact CE3-CG 4.19Å; W49-P379 VanDerWaalsContact CH2-CD 3.49Å; W49-P379 HydrophobicContact CH2-CG 3.35Å; W49-P379 HydrophobicContact CZ2-CG 4.03Å; W49-P379 HydrophobicContact CZ3-CG 3.45Å; W49-P379 VanDerWaalsContact CZ3-CG 3.45Å; N57-P379 PolarHBondContact ND2-O 3.44Å; L60-P379 HydrophobicContact CD1-CB 4.16Å; L60-P379 HydrophobicContact CD1-CG 4.25Å; Q377-P379 VanDerWaalsContact C-CD 3.47Å; Q377-P379 VanDerWaalsContact C-N 3.31Å; P379-E383 WeakPolarHBondContact O-CB 3.15Å; P379-E383 PolarHBondContact O-N 2.95Å
380	K	98.4	Very high	96	Very high	130 Å²	130	59.2 Å²	59.2	57%	0.565	31%	0.313	S	S	*	.	H	α-helix	trans	-69.7	-37.8	176.8	-63.3	-176	175.6	-175	0	111.6	F373 Q377 V378 E383 K384	F373-K380 HydrophobicContact CD1-CB 4.39Å; F373-K380 HydrophobicContact CE1-CB 4.1Å; Q377-K380 WeakPolarHBondContact O-CA 3.35Å; Q377-K380 WeakPolarHBondContact O-CB 3.44Å; Q377-K380 PolarHBondContact O-N 3.39Å; V378-K380 VanDerWaalsContact C-N 3.34Å; V378-K380 PolarHBondContact O-N 2.85Å; K380-E383 PolarHBondContact O-N 3.35Å; K380-K384 WeakPolarHBondContact O-CB 3.29Å; K380-K384 PolarHBondContact O-N 3.49Å
381	A	98.1	Very high	95.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-40.6	177.2	0	0	0	0	0	111.7	L86 F373 Q377 V378 V385 T394 V396	L86-A381 HydrophobicContact CD1-CB 3.42Å; L86-A381 VanDerWaalsContact CD1-CB 3.42Å; F373-A381 HydrophobicContact CB-CB 3.82Å; F373-A381 HydrophobicContact CD1-CB 4.06Å; F373-A381 HydrophobicContact CD2-CB 3.51Å; F373-A381 HydrophobicContact CE2-CB 4.06Å; F373-A381 HydrophobicContact CG-CB 3.51Å; Q377-A381 PolarHBondContact O-N 3.11Å; V378-A381 WeakPolarHBondContact O-CB 3.3Å; V378-A381 PolarHBondContact O-N 3.21Å; A381-V385 VanDerWaalsContact O-CG2 3.31Å; A381-V385 WeakPolarHBondContact O-CG2 3.29Å; A381-V385 PolarHBondContact O-N 2.8Å; A381-T394 HydrophobicContact CB-CG2 4.13Å; A381-V396 HydrophobicContact CB-CG2 3.98Å
382	L	98	Very high	95.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-71.2	-40.5	173.6	-76.6	167.2	0	0	0	112.3	L60 L86 D90 V91 V378 K384 V385 E386	L60-L382 HydrophobicContact CD1-CD1 3.57Å; L60-L382 HydrophobicContact CD2-CD1 3.93Å; L60-L382 HydrophobicContact CG-CD1 4.39Å; L86-L382 HydrophobicContact CD1-CD2 4.06Å; L86-L382 HydrophobicContact CD1-CG 3.99Å; L86-L382 HydrophobicContact CD2-CD2 4.08Å; L86-L382 HydrophobicContact CD2-CG 4.44Å; D90-L382 HydrophobicContact CB-CD2 3.96Å; V91-L382 HydrophobicContact CG2-CD2 3.86Å; V378-L382 HydrophobicContact CG1-CD1 3.96Å; V378-L382 PolarHBondContact O-N 2.96Å; L382-K384 VanDerWaalsContact C-N 3.28Å; L382-K384 PolarHBondContact O-N 3.32Å; L382-V385 PolarHBondContact O-N 3.32Å; L382-V385 VanDerWaalsContact O-N 3.14Å; L382-E386 WeakPolarHBondContact O-CB 3.44Å; L382-E386 PolarHBondContact O-N 3.24Å
383	E	97.4	Very high	95.2	Very high	78 Å²	78	51.3 Å²	51.3	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-39.1	173.4	-168.6	-160.8	152.9	0	0	111.8	P379 K380 E386 K387	P379-E383 WeakPolarHBondContact O-CB 3.15Å; P379-E383 PolarHBondContact O-N 2.95Å; K380-E383 PolarHBondContact O-N 3.35Å; E383-E386 PolarHBondContact O-N 3.35Å; E383-K387 WeakPolarHBondContact O-CG 3.4Å; E383-K387 PolarHBondContact O-N 2.69Å; E383-K387 WeakPolarHBondContact OE1-CE 3.46Å; E383-K387 IonicContact OE1-NZ 3.73Å; E383-K387 PolarHBondContact OE1-NZ 3.14Å
384	K	97	Very high	95.2	Very high	37 Å²	37	50.9 Å²	50.9	16%	0.161	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-42.4	174.3	-172.8	-133.1	171.6	-172.5	0	112	E370 E371 F373 K380 L382 E386 K387 T394	E370-K384 WeakPolarHBondContact OE2-CE 3.19Å; E370-K384 IonicContact OE2-NZ 3.02Å; E370-K384 PolarHBondContact OE2-NZ 3.09Å; E371-K384 HydrophobicContact CB-CD 4.45Å; E371-K384 WeakPolarHBondContact OE2-CD 3.33Å; E371-K384 WeakPolarHBondContact OE2-CE 3.41Å; E371-K384 IonicContact OE2-NZ 2.75Å; E371-K384 PolarHBondContact OE2-NZ 2.76Å; F373-K384 HydrophobicContact CE2-CD 4Å; F373-K384 HydrophobicContact CZ-CB 4.34Å; F373-K384 HydrophobicContact CZ-CD 4.22Å; K380-K384 WeakPolarHBondContact O-CB 3.29Å; K380-K384 PolarHBondContact O-N 3.49Å; L382-K384 VanDerWaalsContact C-N 3.28Å; L382-K384 PolarHBondContact O-N 3.32Å; K384-E386 VanDerWaalsContact C-N 3.32Å; K384-K387 PolarHBondContact O-N 2.85Å; K384-T394 HydrophobicContact CD-CG2 4.21Å; K384-T394 WeakPolarHBondContact CD-OG1 3.28Å; K384-T394 PolarHBondContact NZ-OG1 2.94Å
385	V	96.9	Very high	95.2	Very high	25 Å²	25	48.7 Å²	48.7	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-38.9	175.1	173.8	0	0	0	0	111	L86 V91 A381 L382 K387 G388 T394	L86-V385 HydrophobicContact CB-CG2 3.85Å; L86-V385 HydrophobicContact CD1-CG2 4.29Å; V91-V385 HydrophobicContact CG2-CB 4.14Å; V91-V385 HydrophobicContact CG2-CG1 3.84Å; A381-V385 VanDerWaalsContact O-CG2 3.31Å; A381-V385 WeakPolarHBondContact O-CG2 3.29Å; A381-V385 PolarHBondContact O-N 2.8Å; L382-V385 PolarHBondContact O-N 3.32Å; L382-V385 VanDerWaalsContact O-N 3.14Å; V385-K387 PolarHBondContact O-N 3.15Å; V385-G388 PolarHBondContact O-N 3.25Å; V385-G388 VanDerWaalsContact O-N 3.14Å; V385-T394 HydrophobicContact CG2-CG2 4.34Å
386	E	96.2	Very high	95.2	Very high	95 Å²	95	47.3 Å²	47.3	44%	0.444	25%	0.247	S	C	.	.	H	α-helix	trans	-66.2	-32.5	178.5	-174.2	159.9	-154.3	0	0	113.2	V91 R94 L382 E383 K384 G388	V91-E386 HydrophobicContact CG1-CB 3.82Å; V91-E386 HydrophobicContact CG1-CG 3.79Å; V91-E386 HydrophobicContact CG2-CB 4.27Å; R94-E386 IonicContact CZ-OE1 2.98Å; R94-E386 IonicContact CZ-OE2 3.46Å; R94-E386 IonicContact NH1-OE1 2.69Å; R94-E386 IonicContact NH1-OE2 3.59Å; R94-E386 PolarHBondContact NH1-OE2 2.57Å; R94-E386 IonicContact NH2-OE1 2.75Å; R94-E386 PolarHBondContact NH2-OE1 3.48Å; R94-E386 IonicContact NH2-OE2 2.94Å; R94-E386 PolarHBondContact NH2-OE2 2.91Å; L382-E386 WeakPolarHBondContact O-CB 3.44Å; L382-E386 PolarHBondContact O-N 3.24Å; E383-E386 PolarHBondContact O-N 3.35Å; K384-E386 VanDerWaalsContact C-N 3.32Å; E386-G388 PolarHBondContact O-N 3.1Å
387	K	94.7	Very high	95.3	Very high	136 Å²	136	47.2 Å²	47.2	59%	0.591	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-10.6	171.9	-73.2	168.1	-175.1	169.3	0	114.2	E383 K384 V385 H389	E383-K387 WeakPolarHBondContact O-CG 3.4Å; E383-K387 PolarHBondContact O-N 2.69Å; E383-K387 WeakPolarHBondContact OE1-CE 3.46Å; E383-K387 IonicContact OE1-NZ 3.73Å; E383-K387 PolarHBondContact OE1-NZ 3.14Å; K384-K387 PolarHBondContact O-N 2.85Å; V385-K387 PolarHBondContact O-N 3.15Å; K387-H389 PolarHBondContact O-CD2 2.76Å
388	G	90.3	Very high	95.2	Very high	41 Å²	41	44.8 Å²	44.8	42%	0.423	23%	0.226	S	C	.	.			trans	70.5	-144.9	177.6	0	0	0	0	0	113.5	V385 E386 A390	V385-G388 PolarHBondContact O-N 3.25Å; V385-G388 VanDerWaalsContact O-N 3.14Å; E386-G388 PolarHBondContact O-N 3.1Å; G388-A390 PolarHBondContact O-N 3.41Å
389	H	86.4	Confident	94.7	Very high	151 Å²	151	46 Å²	46	70%	0.699	23%	0.234	S	C	*	.			trans	53.4	15.6	-179.8	-62.2	-74.8	0	0	0	117.4	K387 R391	K387-H389 PolarHBondContact O-CD2 2.76Å; H389-R391 PolarHBondContact O-NH1 2.92Å
390	A	84.6	Confident	93.5	Very high	39 Å²	39	54.2 Å²	54.2	32%	0.322	27%	0.267	S	S	.	.			trans	-47.3	142	-174.5	0	0	0	0	0	115	G388	G388-A390 PolarHBondContact O-N 3.41Å
391	R	88.6	Confident	91.3	Very high	49 Å²	49	50.2 Å²	50.2	19%	0.185	26%	0.262	C	S	.	.	S	Bend	trans	-119	65.4	172.7	-61.1	-69.7	173.6	-96.4	9.3	110.1	S217 S240 N242 E370 H389	S217-R391 PolarHBondContact OG-NH1 3.49Å; S240-R391 PolarHBondContact OG-NH2 3.04Å; N242-R391 PolarHBondContact OD1-NH2 3.08Å; E370-R391 WeakPolarHBondContact CB-O 3.37Å; E370-R391 HydrophobicContact CG-CB 4.11Å; E370-R391 VanDerWaalsContact OE1-CB 3.29Å; E370-R391 WeakPolarHBondContact OE1-CB 3.12Å; E370-R391 PolarHBondContact OE1-N 2.97Å; E370-R391 PolarHBondContact OE2-N 2.86Å; H389-R391 PolarHBondContact O-NH1 2.92Å
392	G	89.1	Confident	88.5	Confident	3 Å²	3	53.7 Å²	53.7	3%	0.031	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	99.7	-127	-167.2	0	0	0	0	0	111.9	S217	S217-G392 PolarHBondContact O-N 2.99Å
393	K	96.1	Very high	85.3	Confident	11 Å²	11	63.1 Å²	63.1	5%	0.048	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.1	-166.4	-74.1	-84.9	-77.4	169.1	0	113.7	L86 N87 D125 A183 V187 V368 E370	L86-K393 PolarHBondContact O-NZ 3.34Å; N87-K393 VanDerWaalsContact CG-NZ 3.25Å; N87-K393 PolarHBondContact ND2-NZ 2.62Å; N87-K393 PolarHBondContact OD1-NZ 3.12Å; D125-K393 IonicContact OD2-NZ 2.7Å; D125-K393 PolarHBondContact OD2-NZ 3.44Å; A183-K393 HydrophobicContact CB-CB 3.93Å; A183-K393 HydrophobicContact CB-CG 4.39Å; A183-K393 WeakPolarHBondContact O-CE 3.32Å; A183-K393 WeakPolarHBondContact O-CG 3.48Å; V187-K393 HydrophobicContact CG1-CD 3.95Å; V187-K393 HydrophobicContact CG2-CD 4.38Å; V368-K393 PolarHBondContact O-N 3.18Å; E370-K393 PolarHBondContact N-O 3.02Å
394	T	98.1	Very high	84.7	Confident	6 Å²	6	62.4 Å²	62.4	4%	0.037	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.2	167.5	-56.5	0	0	0	0	109.5	L86 E371 F373 A381 K384 V385	L86-T394 HydrophobicContact CD1-CG2 4.15Å; L86-T394 PolarHBondContact N-O 2.99Å; E371-T394 WeakPolarHBondContact O-CA 3.45Å; F373-T394 HydrophobicContact CD2-CG2 3.58Å; F373-T394 HydrophobicContact CE2-CG2 3.56Å; A381-T394 HydrophobicContact CB-CG2 4.13Å; K384-T394 HydrophobicContact CD-CG2 4.21Å; K384-T394 WeakPolarHBondContact CD-OG1 3.28Å; K384-T394 PolarHBondContact NZ-OG1 2.94Å; V385-T394 HydrophobicContact CG2-CG2 4.34Å
395	V	98.5	Very high	84.1	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144	-179.4	-178.6	0	0	0	0	110.5	A83 T179 A182 A183 V369 E371 T372 F373	A83-V395 HydrophobicContact CB-CG1 3.99Å; T179-V395 HydrophobicContact CG2-CB 4.29Å; T179-V395 HydrophobicContact CG2-CG1 3.78Å; A182-V395 HydrophobicContact CB-CG1 4.17Å; A183-V395 HydrophobicContact CB-CG2 3.9Å; V369-V395 HydrophobicContact CG1-CG2 4.13Å; V369-V395 HydrophobicContact CG2-CG2 4.23Å; E371-V395 PolarHBondContact O-N 2.75Å; T372-V395 CarbonylContact C-O 3.19Å; T372-V395 WeakPolarHBondContact CA-O 3.14Å; F373-V395 PolarHBondContact N-O 3.48Å
396	V	98.6	Very high	83.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.4	172.3	-179	0	0	0	0	109.2	A83 A84 L86 L158 F373 F375 V378 A381 I398	A83-V396 CarbonylContact C-O 3.49Å; A83-V396 VanDerWaalsContact CA-O 3.24Å; A83-V396 WeakPolarHBondContact CA-O 3.35Å; A84-V396 PolarHBondContact N-O 3.11Å; A84-V396 PolarHBondContact O-N 3.3Å; L86-V396 HydrophobicContact CD1-CG2 3.94Å; L86-V396 HydrophobicContact CD2-CG2 4.31Å; L86-V396 HydrophobicContact CG-CG2 4.03Å; L158-V396 HydrophobicContact CD2-CB 4.38Å; L158-V396 HydrophobicContact CD2-CG2 4.33Å; F373-V396 CarbonylContact O-C 3.54Å; F373-V396 VanDerWaalsContact O-CA 3.27Å; F373-V396 WeakPolarHBondContact O-CA 3.37Å; F375-V396 HydrophobicContact CD2-CG1 4.21Å; V378-V396 HydrophobicContact CG2-CG1 3.69Å; V378-V396 HydrophobicContact CG2-CG2 4.11Å; A381-V396 HydrophobicContact CB-CG2 3.98Å; V396-I398 HydrophobicContact CG1-CG1 4.14Å
397	E	98.4	Very high	82.6	Confident	88 Å²	88	64.1 Å²	64.1	41%	0.411	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	116.4	170.8	-60.2	-169.7	146.7	0	0	109.4	T179 F373 F375	T179-E397 HydrophobicContact CG2-CG 3.91Å; T179-E397 VanDerWaalsContact CG2-OE1 3.29Å; T179-E397 WeakPolarHBondContact CG2-OE1 3.25Å; T179-E397 PolarHBondContact OG1-OE1 3.06Å; F373-E397 PolarHBondContact O-N 3.5Å; F375-E397 PolarHBondContact N-O 3.4Å
398	I	96.6	Very high	81.9	Confident	20 Å²	20	59.6 Å²	59.6	10%	0.103	37%	0.37	C	S	.	.			trans	-97.5	-47.8	-170.5	-59.8	-161.1	0	0	0	111.6	V81 F82 A84 S157 L158 F375 V396	V81-I398 HydrophobicContact CB-CD1 4.35Å; V81-I398 HydrophobicContact CB-CG2 4.47Å; V81-I398 HydrophobicContact CG1-CB 4.25Å; V81-I398 HydrophobicContact CG1-CD1 3.71Å; V81-I398 HydrophobicContact CG1-CG1 4.21Å; F82-I398 PolarHBondContact O-N 3.01Å; A84-I398 HydrophobicContact CB-CD1 3.89Å; S157-I398 WeakPolarHBondContact O-CD1 3.28Å; L158-I398 HydrophobicContact CD2-CD1 4.42Å; F375-I398 HydrophobicContact CD1-CG2 4.34Å; F375-I398 HydrophobicContact CD2-CB 4.2Å; F375-I398 HydrophobicContact CD2-CD1 4.01Å; F375-I398 HydrophobicContact CD2-CG1 3.75Å; F375-I398 HydrophobicContact CD2-CG2 3.97Å; F375-I398 HydrophobicContact CE1-CG2 4.31Å; F375-I398 HydrophobicContact CE2-CD1 3.82Å; F375-I398 HydrophobicContact CE2-CG1 4.07Å; F375-I398 HydrophobicContact CE2-CG2 3.95Å; F375-I398 HydrophobicContact CG-CG1 4.48Å; F375-I398 HydrophobicContact CG-CG2 4.18Å; F375-I398 HydrophobicContact CZ-CG2 4.12Å; V396-I398 HydrophobicContact CG1-CG1 4.14Å
399	S	88.6	Confident	81.3	Confident	24 Å²	24	60.9 Å²	60.9	17%	0.168	37%	0.367	C	S	.	.	S	Bend	trans	-129.1	143.6	173.8	64.2	0	0	0	0	110.6	V81 F82 G401	V81-S399 PolarHBondContact O-OG 2.74Å; F82-S399 PolarHBondContact O-N 2.76Å; S399-G401 PolarHBondContact O-N 2.76Å
400	K	72.9	Confident	80.9	Confident	206 Å²	206	54.4 Å²	54.4	90%	0.896	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-66.6	123.2	175	-69	-173.1	176.9	-174.8	0	108.4	G402	K400-G402 PolarHBondContact O-N 3.17Å
401	G	52.8	Low	80.7	Confident	46 Å²	46	55.6 Å²	55.6	47%	0.474	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-60.9	126.3	173	0	0	0	0	0	110.6	F82 S399	F82-G401 VanDerWaalsContact CE1-CA 3.46Å; S399-G401 PolarHBondContact O-N 2.76Å
402	G	38	Very low	80	Confident	73 Å²	73	56.2 Å²	56.2	75%	0.753	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-69.5	126.6	163.1	0	0	0	0	0	108.5	K400	K400-G402 PolarHBondContact O-N 3.17Å
403	S	32.4	Very low	79.2	Confident	197 Å²	197	61 Å²	61	100%	1.378	39%	0.388	S	S	*	.			trans	-67	0	174.9	-39	0	0	0	0	112.7

Retrieved 403 of 403 residues in 159.9 ms (Link to these results)

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