A0A087XFB2_POEFO Loading...

Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087XFB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 630 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	32.3	Very low	32.7	Very low	235 Å²	235	164.9 Å²	164.9	100%	1.158	80%	0.802	S	S	*	*				0	120.2	0	-63.9	178.4	-171.8	0	0	105.7
2	T	32.8	Very low	32.3	Very low	118 Å²	118	156.2 Å²	156.2	72%	0.724	79%	0.786	S	S	*	*			cis	-169	130.4	23.7	17.8	0	0	0	0	108.5
3	W	28.7	Very low	32.3	Very low	220 Å²	220	156.6 Å²	156.6	83%	0.833	79%	0.791	S	S	*	*			trans	61.3	115.7	132.2	-67	72.4	0	0	0	120.6
4	L	31.2	Very low	32.2	Very low	126 Å²	126	155.4 Å²	155.4	66%	0.66	79%	0.787	S	S	*	*				69.7	105.1	83.6	-80.4	144.1	0	0	0	112.7
5	R	29.8	Very low	32	Very low	201 Å²	201	156.1 Å²	156.1	76%	0.758	79%	0.794	S	S	*	*				58.2	123.9	92.9	-95.5	-161	175.4	-167.5	-0.4	116.2
6	W	25.9	Very low	32.2	Very low	208 Å²	208	152.4 Å²	152.4	79%	0.788	79%	0.786	S	S	*	*			trans	80.4	170.6	134.4	-86.5	43.8	0	0	0	118.5
7	P	56.5	Low	33	Very low	89 Å²	89	150.8 Å²	150.8	58%	0.578	79%	0.787	S	S	*	*			cis	-145	-165.3	-29.6	33.4	-11.8	0	0	0	113.7
8	R	31.8	Very low	33.1	Very low	237 Å²	237	150.7 Å²	150.7	89%	0.894	78%	0.783	S	S	*	*			trans	126.6	147.3	141.7	-73.3	-178.8	174.4	175.7	-1.7	112.8
9	A	30.4	Very low	33	Very low	85 Å²	85	154.3 Å²	154.3	70%	0.702	79%	0.791	S	S	*	*			cis	-171.3	147.8	-17.7	0	0	0	0	0	106.7
10	C	29.3	Very low	32.9	Very low	116 Å²	116	156.9 Å²	156.9	78%	0.784	79%	0.791	S	S	*	*			trans	5.6	131.5	144.3	-65.6	0	0	0	0	119.5
11	L	31.5	Very low	32.9	Very low	179 Å²	179	159.2 Å²	159.2	94%	0.937	79%	0.79	S	S	*	*				-178.8	121.3	115.7	-102.9	136.3	0	0	0	109.7
12	G	27.3	Very low	33	Very low	60 Å²	60	157.9 Å²	157.9	62%	0.619	77%	0.772	S	S	*	*			trans	-84.2	159.3	170.2	0	0	0	0	0	111.5
13	L	32.1	Very low	33.1	Very low	162 Å²	162	160.8 Å²	160.8	85%	0.848	78%	0.782	S	S	*	*				177.5	134.1	112.6	-112.4	105.6	0	0	0	110.5
14	L	31.2	Very low	33.5	Very low	140 Å²	140	158.3 Å²	158.3	73%	0.733	79%	0.785	S	S	*	*			trans	24.9	124.6	148	-76.4	96.7	0	0	0	120.5
15	N	29.2	Very low	33.7	Very low	166 Å²	166	161.1 Å²	161.1	89%	0.888	79%	0.794	S	S	*	*				-165.4	133.6	107.7	-99.2	-23.6	0	0	0	112.9
16	S	35.6	Very low	34.4	Very low	96 Å²	96	156.5 Å²	156.5	67%	0.671	79%	0.79	S	S	*	*			trans	-109.2	151.7	173.3	-178.5	0	0	0	0	107.5
17	P	45.3	Very low	35.3	Very low	125 Å²	125	155.9 Å²	155.9	81%	0.812	80%	0.798	S	S	*	*				-149.5	138.4	93.7	31.8	-10.4	0	0	0	116.9
18	Q	34.2	Very low	35.2	Very low	150 Å²	150	160.9 Å²	160.9	70%	0.701	81%	0.811	S	S	*	*			trans	-2	139.2	144.6	-64.1	172.8	-24.7	0	0	120.8
19	K	31.5	Very low	36.2	Very low	218 Å²	218	156.1 Å²	156.1	95%	0.948	80%	0.8	S	S	*	*				-150.1	134.2	116.3	-116.4	174	-173.4	175.8	0	112.9
20	W	32.2	Very low	37.6	Very low	207 Å²	207	162.6 Å²	162.6	78%	0.784	81%	0.807	S	S	*	*			trans	-103	166.3	-167.7	-88.5	67.3	0	0	0	112.4
21	R	32.1	Very low	39	Very low	205 Å²	205	167.7 Å²	167.7	77%	0.774	81%	0.809	S	S	*	*			trans	95.3	125.7	158.1	-59.5	-172.9	-178.6	-137.7	-4.4	113.8
22	R	33.4	Very low	40.3	Very low	207 Å²	207	167 Å²	167	78%	0.781	80%	0.801	S	S	*	*			cis	-164.9	135.4	15.9	-103.9	157.9	-178.9	-174.4	0.6	106.9
23	L	36.8	Very low	42.1	Very low	179 Å²	179	171.9 Å²	171.9	94%	0.937	80%	0.801	S	S	*	*			trans	-173.7	93.5	138.7	-98.7	162	0	0	0	107.4
24	L	37.1	Very low	43.9	Very low	168 Å²	168	168.4 Å²	168.4	88%	0.88	79%	0.786	S	S	*	*			trans	-89.5	123.2	172	-82.6	158.6	0	0	0	108.5
25	H	34.9	Very low	45.9	Very low	186 Å²	186	169.3 Å²	169.3	86%	0.861	78%	0.784	S	S	*	*			trans	-139.8	126.5	144	-112.4	-62.1	0	0	0	107.9
26	P	44.5	Very low	48.2	Very low	103 Å²	103	166.7 Å²	166.7	67%	0.669	77%	0.77	S	S	*	*			trans	-90.4	122	-174.5	32.3	-29.4	0	0	0	111.6	K28	P26-K28 VanDerWaalsContact C-N 3.29Å; P26-K28 PolarHBondContact O-N 3.39Å
27	M	43.8	Very low	50.1	Low	196 Å²	196	168.1 Å²	168.1	97%	0.966	77%	0.769	S	S	*	*			trans	-75.2	81.3	166.3	-77.2	-179.6	66.7	0	0	110.6	M29	M27-M29 PolarHBondContact O-N 3.37Å
28	K	54.2	Low	51.7	Low	194 Å²	194	165.7 Å²	165.7	84%	0.843	76%	0.755	S	S	*	*			trans	-89.6	63	176.4	-156.4	-179.6	-172.3	-178.3	0	110.8	P26	P26-K28 VanDerWaalsContact C-N 3.29Å; P26-K28 PolarHBondContact O-N 3.39Å
29	M	53.7	Low	54.1	Low	136 Å²	136	161.6 Å²	161.6	67%	0.67	74%	0.74	S	S	*	*			trans	-151	62.8	175.2	-78.2	-144.7	-62.3	0	0	114.1	M27	M27-M29 PolarHBondContact O-N 3.37Å
30	R	59.3	Low	56.8	Low	221 Å²	221	154.9 Å²	154.9	83%	0.834	72%	0.717	S	S	*	*	S	Bend	trans	-133.7	-24.1	169.1	-109.6	179.8	179.7	-177.9	-0.4	116.4
31	R	59.2	Low	59.6	Low	223 Å²	223	146.5 Å²	146.5	84%	0.842	70%	0.695	S	S	*	*	H	α-helix	trans	-78.6	-37.1	177.7	-83.5	-177.6	171.3	175.2	-2.9	114.1	R33 V34 F35	R31-R33 PolarHBondContact O-N 3.29Å; R31-V34 PolarHBondContact O-N 2.97Å; R31-F35 PolarHBondContact O-N 2.87Å; R31-F35 VanDerWaalsContact O-N 3.09Å
32	H	58.1	Low	62.3	Low	164 Å²	164	142.5 Å²	142.5	76%	0.759	69%	0.688	S	S	*	*	H	α-helix	trans	-65.9	-38	-179.7	-89.8	69	0	0	0	112.7	V34 F35 L36	H32-V34 PolarHBondContact O-N 3.12Å; H32-F35 PolarHBondContact O-N 3.46Å; H32-L36 VanDerWaalsContact O-CB 3.29Å; H32-L36 WeakPolarHBondContact O-CB 3.34Å; H32-L36 PolarHBondContact O-N 2.82Å
33	R	65.1	Low	64.9	Low	164 Å²	164	136.7 Å²	136.7	62%	0.619	68%	0.678	S	S	*	*	H	α-helix	trans	-66.8	-36.8	179.7	-69.4	-175.1	178.3	-176.9	-0.9	112.6	R31 L36 L37	R31-R33 PolarHBondContact O-N 3.29Å; R33-L36 PolarHBondContact O-N 3.17Å; R33-L37 WeakPolarHBondContact O-CB 3.32Å; R33-L37 VanDerWaalsContact O-CG 3.3Å; R33-L37 WeakPolarHBondContact O-CG 3.47Å; R33-L37 PolarHBondContact O-N 2.96Å
34	V	71.6	Confident	67.3	Low	89 Å²	89	132 Å²	132	54%	0.539	66%	0.657	S	S	.	*	H	α-helix	trans	-69.7	-43.2	175.4	178	0	0	0	0	110.4	R31 H32 L36 L37 C38	R31-V34 PolarHBondContact O-N 2.97Å; H32-V34 PolarHBondContact O-N 3.12Å; V34-L36 VanDerWaalsContact C-N 3.28Å; V34-L36 PolarHBondContact O-N 3.46Å; V34-L37 PolarHBondContact O-N 3.14Å; V34-C38 WeakPolarHBondContact O-CB 3.49Å; V34-C38 PolarHBondContact O-N 3.4Å; V34-C38 PolarHBondContact O-SG 3.15Å; V34-C38 VanDerWaalsContact O-SG 3.36Å
35	F	72.1	Confident	69.7	Low	158 Å²	158	128.4 Å²	128.4	69%	0.693	64%	0.637	S	S	*	*	H	α-helix	trans	-60.8	-40	175.8	-129.5	-89.6	0	0	0	111.9	R31 H32 C38 T39	R31-F35 PolarHBondContact O-N 2.87Å; R31-F35 VanDerWaalsContact O-N 3.09Å; H32-F35 PolarHBondContact O-N 3.46Å; F35-C38 PolarHBondContact O-N 3.23Å; F35-T39 HydrophobicContact CD1-CG2 4.45Å; F35-T39 PolarHBondContact O-N 3.46Å; F35-T39 PolarHBondContact O-OG1 2.84Å
36	L	76.6	Confident	72.1	Confident	111 Å²	111	123.3 Å²	123.3	58%	0.581	62%	0.623	S	S	*	*	H	α-helix	trans	-69.5	-38.1	179.3	-150.8	131.5	0	0	0	112.3	H32 R33 V34 T39 V40	H32-L36 VanDerWaalsContact O-CB 3.29Å; H32-L36 WeakPolarHBondContact O-CB 3.34Å; H32-L36 PolarHBondContact O-N 2.82Å; R33-L36 PolarHBondContact O-N 3.17Å; V34-L36 VanDerWaalsContact C-N 3.28Å; V34-L36 PolarHBondContact O-N 3.46Å; L36-T39 WeakPolarHBondContact CA-OG1 3.4Å; L36-T39 PolarHBondContact O-OG1 3Å; L36-T39 VanDerWaalsContact O-OG1 3.09Å; L36-V40 HydrophobicContact CD2-CG2 4.42Å; L36-V40 WeakPolarHBondContact O-CB 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.43Å; L36-V40 PolarHBondContact O-N 3.27Å
37	L	77.4	Confident	74	Confident	127 Å²	127	125.1 Å²	125.1	67%	0.665	62%	0.62	S	S	*	*	H	α-helix	trans	-68.2	-38.7	173.6	-73.8	168.2	0	0	0	111.8	R33 V34 G41	R33-L37 WeakPolarHBondContact O-CB 3.32Å; R33-L37 VanDerWaalsContact O-CG 3.3Å; R33-L37 WeakPolarHBondContact O-CG 3.47Å; R33-L37 PolarHBondContact O-N 2.96Å; V34-L37 PolarHBondContact O-N 3.14Å; L37-G41 PolarHBondContact O-N 3.42Å
38	C	77.3	Confident	75.8	Confident	74 Å²	74	120.6 Å²	120.6	50%	0.5	60%	0.6	S	S	.	*	H	α-helix	trans	-67.3	-41.5	175.4	-71.7	0	0	0	0	112.3	V34 F35 G41 L42	V34-C38 WeakPolarHBondContact O-CB 3.49Å; V34-C38 PolarHBondContact O-N 3.4Å; V34-C38 PolarHBondContact O-SG 3.15Å; V34-C38 VanDerWaalsContact O-SG 3.36Å; F35-C38 PolarHBondContact O-N 3.23Å; C38-G41 PolarHBondContact O-N 3.34Å; C38-L42 WeakPolarHBondContact O-CG 3.36Å; C38-L42 PolarHBondContact O-N 3.44Å
39	T	85.4	Confident	76.9	Confident	64 Å²	64	117.4 Å²	117.4	39%	0.393	59%	0.588	S	S	.	*	H	α-helix	trans	-68.2	-40.3	176	45.2	0	0	0	0	111.9	F35 L36 G41 L42 C43	F35-T39 HydrophobicContact CD1-CG2 4.45Å; F35-T39 PolarHBondContact O-N 3.46Å; F35-T39 PolarHBondContact O-OG1 2.84Å; L36-T39 WeakPolarHBondContact CA-OG1 3.4Å; L36-T39 PolarHBondContact O-OG1 3Å; L36-T39 VanDerWaalsContact O-OG1 3.09Å; T39-G41 VanDerWaalsContact C-N 3.34Å; T39-G41 PolarHBondContact O-N 3.11Å; T39-L42 PolarHBondContact O-N 2.74Å; T39-C43 WeakPolarHBondContact O-CB 3.5Å; T39-C43 PolarHBondContact O-N 2.66Å; T39-C43 PolarHBondContact O-SG 2.78Å
40	V	88.4	Confident	78	Confident	77 Å²	77	118.6 Å²	118.6	47%	0.467	59%	0.586	S	S	.	*	H	α-helix	trans	-62.2	-42.5	173.1	171.5	0	0	0	0	111	L36 L42 C43 V44	L36-V40 HydrophobicContact CD2-CG2 4.42Å; L36-V40 WeakPolarHBondContact O-CB 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.43Å; L36-V40 PolarHBondContact O-N 3.27Å; V40-L42 PolarHBondContact O-N 3.18Å; V40-C43 PolarHBondContact O-N 2.75Å; V40-V44 HydrophobicContact CG1-CG2 4.5Å; V40-V44 WeakPolarHBondContact O-CG2 3.26Å; V40-V44 PolarHBondContact O-N 3.27Å
41	G	89.9	Confident	78.8	Confident	31 Å²	31	114.7 Å²	114.7	32%	0.32	57%	0.572	S	S	.	*	H	α-helix	trans	-60.2	-44.8	175.6	0	0	0	0	0	113	L37 C38 T39 C43 V44 I45	L37-G41 PolarHBondContact O-N 3.42Å; C38-G41 PolarHBondContact O-N 3.34Å; T39-G41 VanDerWaalsContact C-N 3.34Å; T39-G41 PolarHBondContact O-N 3.11Å; G41-C43 PolarHBondContact O-N 3.42Å; G41-V44 PolarHBondContact O-N 3.38Å; G41-I45 VanDerWaalsContact O-CG1 3.31Å; G41-I45 WeakPolarHBondContact O-CG1 3.45Å; G41-I45 PolarHBondContact O-N 3.01Å
42	L	90	Very high	79.3	Confident	120 Å²	120	110.2 Å²	110.2	63%	0.628	56%	0.559	S	S	*	*	H	α-helix	trans	-64.7	-38	175.4	-73.3	171.2	0	0	0	112.3	C38 T39 V40 I45 S46	C38-L42 WeakPolarHBondContact O-CG 3.36Å; C38-L42 PolarHBondContact O-N 3.44Å; T39-L42 PolarHBondContact O-N 2.74Å; V40-L42 PolarHBondContact O-N 3.18Å; L42-I45 PolarHBondContact O-N 2.87Å; L42-S46 VanDerWaalsContact O-CB 3.25Å; L42-S46 WeakPolarHBondContact O-CB 3.17Å; L42-S46 PolarHBondContact O-N 3.23Å
43	C	86.8	Confident	79.8	Confident	86 Å²	86	104.9 Å²	104.9	58%	0.581	54%	0.543	S	S	*	.	H	α-helix	trans	-63.9	-41.2	174.5	-72.3	0	0	0	0	112.1	T39 V40 G41 S46 F47	T39-C43 WeakPolarHBondContact O-CB 3.5Å; T39-C43 PolarHBondContact O-N 2.66Å; T39-C43 PolarHBondContact O-SG 2.78Å; V40-C43 PolarHBondContact O-N 2.75Å; G41-C43 PolarHBondContact O-N 3.42Å; C43-S46 PolarHBondContact O-N 3.2Å; C43-F47 VanDerWaalsContact O-CB 3.28Å; C43-F47 WeakPolarHBondContact O-CB 3.45Å; C43-F47 PolarHBondContact O-N 3.22Å
44	V	88.5	Confident	79.6	Confident	79 Å²	79	99.6 Å²	99.6	48%	0.479	53%	0.526	S	S	.	.	H	α-helix	trans	-67.2	-42.9	177.4	173.1	0	0	0	0	111.1	V40 G41 S46 F47 L48	V40-V44 HydrophobicContact CG1-CG2 4.5Å; V40-V44 WeakPolarHBondContact O-CG2 3.26Å; V40-V44 PolarHBondContact O-N 3.27Å; G41-V44 PolarHBondContact O-N 3.38Å; V44-S46 VanDerWaalsContact C-N 3.35Å; V44-S46 PolarHBondContact O-N 3.23Å; V44-F47 PolarHBondContact O-N 3.23Å; V44-L48 HydrophobicContact CG1-CD1 3.99Å; V44-L48 HydrophobicContact CG1-CG 4.44Å; V44-L48 WeakPolarHBondContact O-CB 3.37Å; V44-L48 VanDerWaalsContact O-CG 3.3Å; V44-L48 WeakPolarHBondContact O-CG 3.3Å; V44-L48 PolarHBondContact O-N 3.5Å
45	I	86.5	Confident	78.8	Confident	93 Å²	93	100.2 Å²	100.2	48%	0.477	52%	0.523	S	S	.	.	H	α-helix	trans	-64.5	-41.8	177.3	-66.8	166.5	0	0	0	110.8	G41 L42 L48 H49	G41-I45 VanDerWaalsContact O-CG1 3.31Å; G41-I45 WeakPolarHBondContact O-CG1 3.45Å; G41-I45 PolarHBondContact O-N 3.01Å; L42-I45 PolarHBondContact O-N 2.87Å; I45-L48 PolarHBondContact O-N 2.68Å; I45-H49 PolarHBondContact O-N 2.85Å; I45-H49 PolarHBondContact O-ND1 3.18Å
46	S	86.2	Confident	78.2	Confident	79 Å²	79	101.4 Å²	101.4	55%	0.552	53%	0.525	S	S	*	.	H	α-helix	trans	-62.9	-43.9	174.8	-174.8	0	0	0	0	111.4	L42 C43 V44 L48 H49 Y50	L42-S46 VanDerWaalsContact O-CB 3.25Å; L42-S46 WeakPolarHBondContact O-CB 3.17Å; L42-S46 PolarHBondContact O-N 3.23Å; C43-S46 PolarHBondContact O-N 3.2Å; V44-S46 VanDerWaalsContact C-N 3.35Å; V44-S46 PolarHBondContact O-N 3.23Å; S46-L48 PolarHBondContact O-N 3.37Å; S46-H49 PolarHBondContact O-N 2.85Å; S46-Y50 WeakPolarHBondContact O-CB 3.47Å; S46-Y50 PolarHBondContact O-N 3.2Å
47	F	85.1	Confident	77.4	Confident	141 Å²	141	99.8 Å²	99.8	62%	0.618	52%	0.519	S	S	*	.	H	α-helix	trans	-63.2	-40.3	176.1	-170.5	-94.4	0	0	0	112.1	C43 V44 Y50 Y51	C43-F47 VanDerWaalsContact O-CB 3.28Å; C43-F47 WeakPolarHBondContact O-CB 3.45Å; C43-F47 PolarHBondContact O-N 3.22Å; V44-F47 PolarHBondContact O-N 3.23Å; F47-Y50 PolarHBondContact O-N 2.63Å; F47-Y51 VanDerWaalsContact O-CB 3.23Å; F47-Y51 WeakPolarHBondContact O-CB 3.32Å; F47-Y51 PolarHBondContact O-N 3.12Å
48	L	81.1	Confident	75.9	Confident	102 Å²	102	98.6 Å²	98.6	53%	0.534	52%	0.522	S	S	.	.	H	α-helix	trans	-67.6	-37.5	175.2	-72.5	169.7	0	0	0	112.3	V44 I45 S46 K52	V44-L48 HydrophobicContact CG1-CD1 3.99Å; V44-L48 HydrophobicContact CG1-CG 4.44Å; V44-L48 WeakPolarHBondContact O-CB 3.37Å; V44-L48 VanDerWaalsContact O-CG 3.3Å; V44-L48 WeakPolarHBondContact O-CG 3.3Å; V44-L48 PolarHBondContact O-N 3.5Å; I45-L48 PolarHBondContact O-N 2.68Å; S46-L48 PolarHBondContact O-N 3.37Å; L48-K52 VanDerWaalsContact O-CB 3.28Å; L48-K52 WeakPolarHBondContact O-CB 3.33Å; L48-K52 PolarHBondContact O-N 2.87Å
49	H	76.3	Confident	74.3	Confident	127 Å²	127	101.5 Å²	101.5	59%	0.588	53%	0.531	S	S	*	.	H	α-helix	trans	-68	-40	173.5	-83	72.8	0	0	0	111.7	I45 S46 K52 A53	I45-H49 PolarHBondContact O-N 2.85Å; I45-H49 PolarHBondContact O-ND1 3.18Å; S46-H49 PolarHBondContact O-N 2.85Å; H49-K52 PolarHBondContact O-N 3.41Å; H49-A53 VanDerWaalsContact O-CB 3.28Å; H49-A53 WeakPolarHBondContact O-CB 3.33Å; H49-A53 PolarHBondContact O-N 3.3Å
50	Y	77.6	Confident	72.4	Confident	161 Å²	161	101.4 Å²	101.4	63%	0.631	53%	0.528	S	S	*	.	H	α-helix	trans	-67	-41.9	175.8	-162.1	-108.8	0	0	0	111.1	S46 F47 A53 L54	S46-Y50 WeakPolarHBondContact O-CB 3.47Å; S46-Y50 PolarHBondContact O-N 3.2Å; F47-Y50 PolarHBondContact O-N 2.63Å; Y50-A53 PolarHBondContact O-N 3.31Å; Y50-L54 HydrophobicContact CD1-CD1 3.24Å; Y50-L54 HydrophobicContact CD2-CD1 4.34Å; Y50-L54 HydrophobicContact CE1-CD1 3.09Å; Y50-L54 HydrophobicContact CE2-CD1 4.21Å; Y50-L54 HydrophobicContact CG-CD1 3.89Å; Y50-L54 WeakPolarHBondContact O-CB 3.48Å; Y50-L54 WeakPolarHBondContact O-CD1 3.34Å; Y50-L54 PolarHBondContact O-N 3.45Å
51	Y	76.1	Confident	70.3	Confident	138 Å²	138	105.9 Å²	105.9	54%	0.541	54%	0.537	S	S	.	.	H	α-helix	trans	-61.5	-45.7	173.7	-175.3	-96	0	0	0	111.5	F47 L54 H55	F47-Y51 VanDerWaalsContact O-CB 3.23Å; F47-Y51 WeakPolarHBondContact O-CB 3.32Å; F47-Y51 PolarHBondContact O-N 3.12Å; Y51-L54 PolarHBondContact O-N 3.25Å; Y51-H55 WeakPolarHBondContact O-CB 3.29Å; Y51-H55 PolarHBondContact O-N 3.33Å
52	K	69.3	Low	68.4	Low	130 Å²	130	111.8 Å²	111.8	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-60.6	-46.9	174.1	-169.2	174.5	-178.8	177	0	110.7	L48 H49 L54 H55 Y56	L48-K52 VanDerWaalsContact O-CB 3.28Å; L48-K52 WeakPolarHBondContact O-CB 3.33Å; L48-K52 PolarHBondContact O-N 2.87Å; H49-K52 PolarHBondContact O-N 3.41Å; K52-L54 PolarHBondContact O-N 2.84Å; K52-H55 WeakPolarHBondContact O-CB 3.24Å; K52-H55 PolarHBondContact O-N 2.71Å; K52-H55 VanDerWaalsContact O-N 3.15Å; K52-Y56 HydrophobicContact CG-CD2 4.2Å; K52-Y56 HydrophobicContact CG-CE2 4.02Å; K52-Y56 VanDerWaalsContact O-CD2 3.25Å; K52-Y56 WeakPolarHBondContact O-CD2 3.21Å; K52-Y56 PolarHBondContact O-N 3.15Å; K52-Y56 VanDerWaalsContact O-N 3.17Å
53	A	67.9	Low	66.1	Low	52 Å²	52	112.6 Å²	112.6	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-62.2	-41.8	177.8	0	0	0	0	0	112.5	H49 Y50 H55 Y56 V57	H49-A53 VanDerWaalsContact O-CB 3.28Å; H49-A53 WeakPolarHBondContact O-CB 3.33Å; H49-A53 PolarHBondContact O-N 3.3Å; Y50-A53 PolarHBondContact O-N 3.31Å; A53-H55 VanDerWaalsContact C-N 3.28Å; A53-H55 PolarHBondContact O-N 3.36Å; A53-Y56 PolarHBondContact O-N 3.27Å; A53-Y56 VanDerWaalsContact O-N 3.14Å; A53-V57 PolarHBondContact O-N 3.03Å
54	L	60.7	Low	63.9	Low	52 Å²	52	112 Å²	112	27%	0.272	56%	0.557	S	S	.	*	H	α-helix	trans	-61.6	-37	173.2	-101.4	103.8	0	0	0	112.4	Y50 Y51 K52 Y56 V57 L60	Y50-L54 HydrophobicContact CD1-CD1 3.24Å; Y50-L54 HydrophobicContact CD2-CD1 4.34Å; Y50-L54 HydrophobicContact CE1-CD1 3.09Å; Y50-L54 HydrophobicContact CE2-CD1 4.21Å; Y50-L54 HydrophobicContact CG-CD1 3.89Å; Y50-L54 WeakPolarHBondContact O-CB 3.48Å; Y50-L54 WeakPolarHBondContact O-CD1 3.34Å; Y50-L54 PolarHBondContact O-N 3.45Å; Y51-L54 PolarHBondContact O-N 3.25Å; K52-L54 PolarHBondContact O-N 2.84Å; L54-Y56 PolarHBondContact O-N 2.63Å; L54-V57 PolarHBondContact O-N 3.06Å; L54-L60 HydrophobicContact CD2-CB 4.09Å; L54-L60 HydrophobicContact CD2-CD1 3.63Å; L54-L60 HydrophobicContact CD2-CD2 3.79Å; L54-L60 HydrophobicContact CD2-CG 4.02Å; L54-L60 HydrophobicContact CG-CD1 3.88Å
55	H	56.4	Low	61.5	Low	103 Å²	103	110.3 Å²	110.3	48%	0.477	55%	0.551	S	S	.	*	H	α-helix	trans	-70.4	-20	177.7	-151.7	-76.3	0	0	0	112.9	Y51 K52 A53	Y51-H55 WeakPolarHBondContact O-CB 3.29Å; Y51-H55 PolarHBondContact O-N 3.33Å; K52-H55 WeakPolarHBondContact O-CB 3.24Å; K52-H55 PolarHBondContact O-N 2.71Å; K52-H55 VanDerWaalsContact O-N 3.15Å; A53-H55 VanDerWaalsContact C-N 3.28Å; A53-H55 PolarHBondContact O-N 3.36Å
56	Y	57.9	Low	59.3	Low	183 Å²	183	112.2 Å²	112.2	72%	0.718	57%	0.569	S	S	*	*	H	α-helix	trans	-87.8	-14.9	173.5	-88	-81.7	0	0	0	113.5	K52 A53 L54 S58	K52-Y56 HydrophobicContact CG-CD2 4.2Å; K52-Y56 HydrophobicContact CG-CE2 4.02Å; K52-Y56 VanDerWaalsContact O-CD2 3.25Å; K52-Y56 WeakPolarHBondContact O-CD2 3.21Å; K52-Y56 PolarHBondContact O-N 3.15Å; K52-Y56 VanDerWaalsContact O-N 3.17Å; A53-Y56 PolarHBondContact O-N 3.27Å; A53-Y56 VanDerWaalsContact O-N 3.14Å; L54-Y56 PolarHBondContact O-N 2.63Å; Y56-S58 PolarHBondContact O-N 2.86Å
57	V	59.8	Low	57.1	Low	76 Å²	76	117.3 Å²	117.3	46%	0.461	58%	0.578	S	S	.	*	S	Bend	trans	-89.6	107.5	175.2	179.1	0	0	0	0	108.8	A53 L54 L59 L60	A53-V57 PolarHBondContact O-N 3.03Å; L54-V57 PolarHBondContact O-N 3.06Å; V57-L59 HydrophobicContact CG1-CB 4.32Å; V57-L59 PolarHBondContact O-N 2.86Å; V57-L60 PolarHBondContact O-N 3.34Å
58	S	46.6	Very low	54.8	Low	103 Å²	103	116.5 Å²	116.5	72%	0.72	59%	0.587	S	S	*	*	H	α-helix	trans	-50.6	-27.8	-174.1	-52.6	0	0	0	0	115	Y56	Y56-S58 PolarHBondContact O-N 2.86Å
59	L	44.2	Very low	52.8	Low	135 Å²	135	117.1 Å²	117.1	71%	0.707	59%	0.59	S	S	*	*	H	α-helix	trans	-71.6	-29.7	-179.6	-153.8	86.5	0	0	0	113.8	V57	V57-L59 HydrophobicContact CG1-CB 4.32Å; V57-L59 PolarHBondContact O-N 2.86Å
60	L	44.9	Very low	51.4	Low	62 Å²	62	117.8 Å²	117.8	33%	0.325	60%	0.597	S	S	.	*	H	α-helix	trans	-94.8	-15	-176.2	-82.5	148.5	0	0	0	113.2	L54 V57 E62 L63 S64	L54-L60 HydrophobicContact CD2-CB 4.09Å; L54-L60 HydrophobicContact CD2-CD1 3.63Å; L54-L60 HydrophobicContact CD2-CD2 3.79Å; L54-L60 HydrophobicContact CD2-CG 4.02Å; L54-L60 HydrophobicContact CG-CD1 3.88Å; V57-L60 PolarHBondContact O-N 3.34Å; L60-E62 PolarHBondContact O-N 3.36Å; L60-L63 HydrophobicContact CD2-CB 4.45Å; L60-L63 HydrophobicContact CD2-CD1 3.89Å; L60-L63 PolarHBondContact O-N 2.85Å; L60-S64 WeakPolarHBondContact O-CB 3.26Å; L60-S64 PolarHBondContact O-N 2.93Å; L60-S64 VanDerWaalsContact O-N 3.07Å; L60-S64 PolarHBondContact O-OG 2.81Å
61	R	45.2	Very low	49.5	Very low	171 Å²	171	118.3 Å²	118.3	65%	0.645	60%	0.603	S	S	*	*	H	α-helix	trans	-63.3	-31.1	166.2	-172.3	176.3	158.3	179.6	-6	111.8
62	E	48.8	Very low	47.7	Very low	154 Å²	154	115.1 Å²	115.1	72%	0.72	60%	0.6	S	S	*	*	H	α-helix	trans	-73.7	-31.1	173.3	-69.2	-157.1	172.5	0	0	113.3	L60	L60-E62 PolarHBondContact O-N 3.36Å
63	L	43	Very low	46.3	Very low	137 Å²	137	116.9 Å²	116.9	72%	0.717	61%	0.609	S	S	*	*	H	α-helix	trans	-84.8	-22.1	-178.5	-70.5	170.4	0	0	0	113.8	L60	L60-L63 HydrophobicContact CD2-CB 4.45Å; L60-L63 HydrophobicContact CD2-CD1 3.89Å; L60-L63 PolarHBondContact O-N 2.85Å
64	S	40.4	Very low	45.2	Very low	74 Å²	74	120 Å²	120	52%	0.517	62%	0.617	S	S	.	*	H	α-helix	trans	-96.2	-5.5	-178.5	52.9	0	0	0	0	113.8	L60	L60-S64 WeakPolarHBondContact O-CB 3.26Å; L60-S64 PolarHBondContact O-N 2.93Å; L60-S64 VanDerWaalsContact O-N 3.07Å; L60-S64 PolarHBondContact O-OG 2.81Å
65	A	38.4	Very low	44.2	Very low	43 Å²	43	124.6 Å²	124.6	36%	0.355	64%	0.638	S	S	.	*	S	Bend	trans	-64.9	125.8	171.7	0	0	0	0	0	109.7	Y67	A65-Y67 VanDerWaalsContact C-N 3.34Å; A65-Y67 HydrophobicContact CB-CD2 4.17Å; A65-Y67 HydrophobicContact CB-CE2 4.04Å; A65-Y67 PolarHBondContact O-N 3.42Å
66	P	39	Very low	43.4	Very low	133 Å²	133	124 Å²	124	86%	0.864	64%	0.642	S	S	*	*			trans	-70.2	90.9	178.1	26.9	-30.4	0	0	0	109.7
67	Y	40	Very low	42.6	Very low	187 Å²	187	117.9 Å²	117.9	73%	0.733	63%	0.626	S	S	*	*			trans	-79.6	132.6	173.8	-88	-82.3	0	0	0	111.3	A65 N69	A65-Y67 VanDerWaalsContact C-N 3.34Å; A65-Y67 HydrophobicContact CB-CD2 4.17Å; A65-Y67 HydrophobicContact CB-CE2 4.04Å; A65-Y67 PolarHBondContact O-N 3.42Å; Y67-N69 VanDerWaalsContact C-N 3.32Å; Y67-N69 PolarHBondContact O-N 3.38Å; Y67-N69 VanDerWaalsContact O-N 3.13Å
68	P	37.7	Very low	41.5	Very low	123 Å²	123	116.8 Å²	116.8	80%	0.799	63%	0.63	S	S	*	*	S	Bend	trans	-89.2	55.4	-179.8	36.6	-35	0	0	0	112.1
69	N	39	Very low	41.3	Very low	115 Å²	115	120.4 Å²	120.4	62%	0.615	63%	0.633	S	S	*	*			trans	-147.6	80.7	174.2	-123.5	-38.8	0	0	0	113	Y67 K71 S72	Y67-N69 VanDerWaalsContact C-N 3.32Å; Y67-N69 PolarHBondContact O-N 3.38Å; Y67-N69 VanDerWaalsContact O-N 3.13Å; N69-K71 PolarHBondContact O-N 2.89Å; N69-S72 PolarHBondContact O-N 3.38Å
70	I	45.6	Very low	40.9	Very low	142 Å²	142	122 Å²	122	73%	0.728	63%	0.634	S	S	*	*	H	α-helix	trans	-62.7	-12.4	-175.4	-67.4	165.4	0	0	0	113.5
71	K	38.3	Very low	40.7	Very low	171 Å²	171	129 Å²	129	74%	0.743	66%	0.657	S	S	*	*	H	α-helix	trans	-77.3	-23.8	-179.4	-73.5	-173.4	176.1	-178.5	0	114.7	N69	N69-K71 PolarHBondContact O-N 2.89Å
72	S	38.6	Very low	40	Very low	71 Å²	71	132 Å²	132	50%	0.497	67%	0.668	S	S	.	*	H	α-helix	trans	-81	-24.6	178.3	-53.7	0	0	0	0	112.6	N69 M75	N69-S72 PolarHBondContact O-N 3.38Å; S72-M75 PolarHBondContact O-N 3.05Å
73	F	39.4	Very low	39.3	Very low	168 Å²	168	133 Å²	133	74%	0.737	67%	0.672	S	S	*	*	H	α-helix	trans	-70.9	-32.4	-178.4	-147	-96.3	0	0	0	112.4	M75 V76 S77	F73-M75 VanDerWaalsContact C-N 3.34Å; F73-M75 PolarHBondContact O-N 3.08Å; F73-V76 PolarHBondContact O-N 3.36Å; F73-S77 PolarHBondContact O-N 2.75Å; F73-S77 PolarHBondContact O-OG 2.94Å; F73-S77 VanDerWaalsContact O-OG 3.13Å
74	I	44.8	Very low	38.8	Very low	118 Å²	118	136.8 Å²	136.8	61%	0.605	68%	0.683	S	S	*	*	H	α-helix	trans	-69.1	-30.7	178.8	-62.4	176.2	0	0	0	111.9	S77 G78	I74-S77 WeakPolarHBondContact CA-OG 3.3Å; I74-S77 PolarHBondContact O-OG 3.17Å; I74-G78 PolarHBondContact O-N 3.25Å
75	M	40	Very low	38.5	Very low	147 Å²	147	136.4 Å²	136.4	72%	0.724	69%	0.691	S	S	*	*	H	α-helix	trans	-72.5	-34.1	174.5	-90.7	-171.3	-72.7	0	0	112.7	S72 F73	S72-M75 PolarHBondContact O-N 3.05Å; F73-M75 VanDerWaalsContact C-N 3.34Å; F73-M75 PolarHBondContact O-N 3.08Å
76	V	40.8	Very low	38	Very low	92 Å²	92	141.8 Å²	141.8	56%	0.558	72%	0.719	S	S	*	*	H	α-helix	trans	-81.3	-35.7	-178.4	179.7	0	0	0	0	111.4	F73 G78 F79 F80	F73-V76 PolarHBondContact O-N 3.36Å; V76-G78 VanDerWaalsContact C-N 3.31Å; V76-G78 PolarHBondContact O-N 3.44Å; V76-F79 PolarHBondContact O-N 3.39Å; V76-F80 PolarHBondContact O-N 3Å
77	S	40.9	Very low	37.7	Very low	54 Å²	54	139.9 Å²	139.9	38%	0.378	72%	0.715	S	S	.	*	H	α-helix	trans	-67.1	-32	172.5	58.5	0	0	0	0	112.8	F73 I74 F79 F80 W81	F73-S77 PolarHBondContact O-N 2.75Å; F73-S77 PolarHBondContact O-OG 2.94Å; F73-S77 VanDerWaalsContact O-OG 3.13Å; I74-S77 WeakPolarHBondContact CA-OG 3.3Å; I74-S77 PolarHBondContact O-OG 3.17Å; S77-F79 VanDerWaalsContact C-N 3.25Å; S77-F79 PolarHBondContact O-N 3.12Å; S77-F80 PolarHBondContact O-N 3.19Å; S77-W81 PolarHBondContact O-N 2.86Å
78	G	36.5	Very low	37.1	Very low	52 Å²	52	135.8 Å²	135.8	54%	0.536	72%	0.719	S	S	.	*	H	α-helix	trans	-70.4	-17.5	174.7	0	0	0	0	0	114.4	I74 V76	I74-G78 PolarHBondContact O-N 3.25Å; V76-G78 VanDerWaalsContact C-N 3.31Å; V76-G78 PolarHBondContact O-N 3.44Å
79	F	41.3	Very low	36.6	Very low	179 Å²	179	136 Å²	136	79%	0.785	72%	0.719	S	S	*	*	H	α-helix	trans	-88.4	-26.2	177.3	-155.2	-95.2	0	0	0	112.6	V76 S77	V76-F79 PolarHBondContact O-N 3.39Å; S77-F79 VanDerWaalsContact C-N 3.25Å; S77-F79 PolarHBondContact O-N 3.12Å
80	F	36.9	Very low	36.1	Very low	168 Å²	168	136.5 Å²	136.5	74%	0.737	73%	0.728	S	S	*	*	H	α-helix	trans	-90.3	-20.3	-179.3	-97.4	-86.5	0	0	0	114.5	V76 S77	V76-F80 PolarHBondContact O-N 3Å; S77-F80 PolarHBondContact O-N 3.19Å
81	W	40.2	Very low	35.1	Very low	211 Å²	211	137.8 Å²	137.8	80%	0.799	74%	0.736	S	S	*	*			trans	-113.7	73	175.5	-64.5	102.4	0	0	0	111.1	S77	S77-W81 PolarHBondContact O-N 2.86Å
82	R	31.6	Very low	34.5	Very low	232 Å²	232	135.2 Å²	135.2	88%	0.875	74%	0.739	S	S	*	*			trans	-109.1	82.7	165.9	-161.2	176.7	-174.5	-174.1	1.7	108.9
83	E	33.3	Very low	34	Very low	175 Å²	175	137.5 Å²	137.5	82%	0.818	75%	0.752	S	S	*	*			trans	-68.7	142.9	162.7	-85.7	-171.8	152.5	0	0	110	G85	E83-G85 PolarHBondContact O-N 3.38Å
84	K	32.8	Very low	33.2	Very low	217 Å²	217	134 Å²	134	94%	0.943	75%	0.754	S	S	*	*	S	Bend	trans	-66.7	126.1	-179.9	-80.5	174.3	172.2	174.3	0	110.4
85	G	33.3	Very low	32.4	Very low	66 Å²	66	133.9 Å²	133.9	68%	0.68	76%	0.764	S	S	*	*			trans	116.6	142.6	153.5	0	0	0	0	0	114.8	E83	E83-G85 PolarHBondContact O-N 3.38Å
86	V	29.3	Very low	32	Very low	156 Å²	156	132.4 Å²	132.4	95%	0.945	77%	0.765	S	S	*	*			trans	87.4	118.4	172.6	-158.4	0	0	0	0	115.7
87	A	31.8	Very low	31.3	Very low	94 Å²	94	137.1 Å²	137.1	78%	0.777	78%	0.781	S	S	*	*			trans	-73.4	143.8	178.6	0	0	0	0	0	112.2
88	A	27.9	Very low	30.5	Very low	100 Å²	100	143.8 Å²	143.8	83%	0.826	81%	0.806	S	S	*	*			trans	-164.8	134.9	147.4	0	0	0	0	0	111.5
89	T	26.6	Very low	29.9	Very low	128 Å²	128	145.5 Å²	145.5	79%	0.785	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-55.6	145.7	178	-32.7	0	0	0	0	113.6	L91	T89-L91 PolarHBondContact O-N 2.93Å
90	P	28.2	Very low	29.4	Very low	125 Å²	125	142.7 Å²	142.7	81%	0.812	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-81.3	118.4	170.7	30.4	-29	0	0	0	111
91	L	24.5	Very low	29.3	Very low	170 Å²	170	140.1 Å²	140.1	89%	0.89	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-81.8	127.2	165.4	-80	158.4	0	0	0	109.7	T89	T89-L91 PolarHBondContact O-N 2.93Å
92	S	25.9	Very low	28.5	Very low	116 Å²	116	137.2 Å²	137.2	81%	0.811	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-75.2	150.2	161.5	-72.1	0	0	0	0	111.1
93	P	27.8	Very low	28.4	Very low	119 Å²	119	132.2 Å²	132.2	77%	0.773	81%	0.813	S	S	*	*			trans	-123.8	113.9	143	30.5	-16.3	0	0	0	109.2
94	A	23.6	Very low	28.1	Very low	95 Å²	95	129.2 Å²	129.2	79%	0.785	81%	0.806	S	S	*	*				73.8	114.7	80.1	0	0	0	0	0	113.2
95	S	27.8	Very low	27.7	Very low	116 Å²	116	127 Å²	127	81%	0.811	80%	0.804	S	S	*	*			trans	-75.8	162.1	167.3	-146.1	0	0	0	0	110.7
96	P	30.2	Very low	27.3	Very low	115 Å²	115	131.8 Å²	131.8	75%	0.747	81%	0.808	S	S	*	*			trans	-132.5	122	137	26.5	-9.8	0	0	0	110.4
97	E	26	Very low	27.1	Very low	191 Å²	191	133.5 Å²	133.5	89%	0.893	81%	0.806	S	S	*	*				77.6	124.5	80.8	-103.3	-176	172.7	0	0	116
98	E	25.2	Very low	26.8	Very low	194 Å²	194	132.7 Å²	132.7	91%	0.907	81%	0.806	S	S	*	*			trans	-50.3	165.3	168.7	-85.2	169.4	137	0	0	114.2
99	A	23.5	Very low	26.6	Very low	88 Å²	88	132.7 Å²	132.7	73%	0.727	81%	0.806	S	S	*	*			cis	-168.3	-161.6	15.9	0	0	0	0	0	106.2
100	P	30.1	Very low	26.6	Very low	120 Å²	120	133.5 Å²	133.5	78%	0.779	81%	0.81	S	S	*	*			cis	-131.5	-176	-7.4	38.7	-17.3	0	0	0	114.6
101	P	35.3	Very low	26.6	Very low	114 Å²	114	136.5 Å²	136.5	74%	0.74	81%	0.811	S	S	*	*			trans	-108.7	176.6	-166.8	40.1	-31.1	0	0	0	116.6
102	L	24.5	Very low	26.9	Very low	151 Å²	151	134.5 Å²	134.5	79%	0.791	81%	0.808	S	S	*	*			trans	92	153.1	162	-64.3	173.5	0	0	0	117.7
103	P	29.7	Very low	26.9	Very low	127 Å²	127	132.3 Å²	132.3	83%	0.825	80%	0.804	S	S	*	*			cis	-136.9	169.1	26.5	38.6	-17.8	0	0	0	119.3
104	V	25.9	Very low	26.7	Very low	112 Å²	112	130.8 Å²	130.8	68%	0.679	81%	0.81	S	S	*	*			trans	-66.9	148.2	171.8	171.7	0	0	0	0	112
105	L	24.3	Very low	26.7	Very low	171 Å²	171	129.8 Å²	129.8	90%	0.895	81%	0.809	S	S	*	*			trans	-137.1	124.7	155	-126.6	132.8	0	0	0	111.4
106	H	24.5	Very low	26.6	Very low	165 Å²	165	129.7 Å²	129.7	76%	0.764	82%	0.815	S	S	*	*			trans	-73.7	151.2	175.9	-99.6	-67.7	0	0	0	112.7
107	Q	25.8	Very low	26.4	Very low	193 Å²	193	127.8 Å²	127.8	90%	0.902	82%	0.816	S	S	*	*			trans	171.4	143.7	132.9	-94.1	169.7	25.4	0	0	106.9
108	G	25.1	Very low	26.4	Very low	76 Å²	76	123.9 Å²	123.9	78%	0.784	81%	0.81	S	S	*	*			cis	170	143.7	7.8	0	0	0	0	0	106.5
109	A	24.6	Very low	26.4	Very low	100 Å²	100	123 Å²	123	83%	0.826	81%	0.811	S	S	*	*			trans	-71.1	154.3	-171.8	0	0	0	0	0	114.9
110	V	26.6	Very low	26.6	Very low	145 Å²	145	122 Å²	122	88%	0.879	81%	0.808	S	S	*	*			trans	-145.6	119.7	146.2	-179.9	0	0	0	0	110.3
111	K	27.3	Very low	26.4	Very low	189 Å²	189	124.9 Å²	124.9	82%	0.822	82%	0.817	S	S	*	*			trans	-84	158.4	159.6	-100.5	-178.5	176.7	177.8	0	108.9
112	P	32.1	Very low	25.9	Very low	127 Å²	127	122.5 Å²	122.5	83%	0.825	81%	0.813	S	S	*	*				-135.3	155.8	96.5	30.5	-14.8	0	0	0	110.5
113	G	24.3	Very low	26	Very low	70 Å²	70	119.5 Å²	119.5	72%	0.722	82%	0.819	S	S	*	*			cis	119.3	111.5	21.1	0	0	0	0	0	109.5
114	G	24.7	Very low	25.7	Very low	88 Å²	88	117.3 Å²	117.3	91%	0.907	82%	0.819	S	S	*	*			trans	93.1	134.4	165.6	0	0	0	0	0	115.3
115	G	24	Very low	25.7	Very low	74 Å²	74	115.9 Å²	115.9	76%	0.763	83%	0.827	S	S	*	*			cis	144.4	128.4	6.1	0	0	0	0	0	110.5
116	A	25.8	Very low	25.7	Very low	114 Å²	114	111.9 Å²	111.9	94%	0.942	83%	0.828	S	S	*	*			trans	75.5	141.6	148.6	0	0	0	0	0	122.8
117	G	25.2	Very low	25.8	Very low	74 Å²	74	108.2 Å²	108.2	76%	0.763	83%	0.834	S	S	*	*			trans	104	91.6	150.4	0	0	0	0	0	115.3
118	S	25.8	Very low	25.8	Very low	110 Å²	110	103.5 Å²	103.5	77%	0.769	83%	0.829	S	S	*	*				80.2	133.4	65.3	-146.7	0	0	0	0	114.8
119	L	26.2	Very low	25.8	Very low	176 Å²	176	106.8 Å²	106.8	92%	0.921	83%	0.833	S	S	*	*			trans	75.8	133.8	164	-55.4	159.2	0	0	0	116.2
120	G	25.8	Very low	25.8	Very low	66 Å²	66	109 Å²	109	68%	0.68	83%	0.831	S	S	*	*			cis	168.4	163.1	2.8	0	0	0	0	0	109.5
121	D	26.3	Very low	26.6	Very low	180 Å²	180	107.6 Å²	107.6	96%	0.963	83%	0.825	S	S	*	*			trans	68.3	135.7	152.8	-124.6	25.6	0	0	0	119.1
122	G	25.9	Very low	26.4	Very low	64 Å²	64	102.2 Å²	102.2	66%	0.66	82%	0.823	S	S	*	*			cis	177	165.7	5.5	0	0	0	0	0	111.3
123	G	25.5	Very low	26	Very low	88 Å²	88	100.8 Å²	100.8	91%	0.907	82%	0.822	S	S	*	*			trans	76.2	130.6	156.2	0	0	0	0	0	117.2
124	G	24.9	Very low	25.9	Very low	81 Å²	81	105.4 Å²	105.4	84%	0.835	83%	0.829	S	S	*	*			cis	148.1	138.8	8.6	0	0	0	0	0	110
125	G	25.8	Very low	25.8	Very low	82 Å²	82	107.9 Å²	107.9	85%	0.845	82%	0.822	S	S	*	*			trans	84.5	118.6	162.5	0	0	0	0	0	115.4
126	G	24.3	Very low	25.8	Very low	88 Å²	88	109.4 Å²	109.4	91%	0.907	82%	0.816	S	S	*	*			cis	96.8	115	20.6	0	0	0	0	0	110.4
127	G	25.3	Very low	25.6	Very low	87 Å²	87	116 Å²	116	90%	0.897	82%	0.817	S	S	*	*			trans	153.4	96.5	166.7	0	0	0	0	0	114.5
128	A	25.6	Very low	25.5	Very low	95 Å²	95	118.7 Å²	118.7	79%	0.785	82%	0.818	S	S	*	*			trans	-89.9	173.3	168.5	0	0	0	0	0	111.7
129	V	26.5	Very low	25.3	Very low	145 Å²	145	118.4 Å²	118.4	88%	0.879	82%	0.822	S	S	*	*			trans	121.2	120.2	146.8	-168	0	0	0	0	115.9
130	D	23.6	Very low	25.2	Very low	147 Å²	147	113.5 Å²	113.5	79%	0.786	81%	0.814	S	S	*	*			trans	-66	-165.7	170.1	-125.2	-14.6	0	0	0	112.9
131	P	43.6	Very low	25.1	Very low	115 Å²	115	117.2 Å²	117.2	75%	0.747	82%	0.823	S	S	*	*			cis	-132.3	179.8	-39.1	31.9	-12.5	0	0	0	112.7
132	G	22.4	Very low	24.9	Very low	76 Å²	76	113.5 Å²	113.5	78%	0.784	82%	0.817	S	S	*	*			trans	137.8	109	146.7	0	0	0	0	0	121.1
133	A	23.8	Very low	24.8	Very low	97 Å²	97	114 Å²	114	80%	0.802	82%	0.823	S	S	*	*			trans	53.6	131.8	131.6	0	0	0	0	0	124.8
134	L	23.5	Very low	24.7	Very low	166 Å²	166	118.1 Å²	118.1	87%	0.869	82%	0.823	S	S	*	*			trans	155.2	146.6	131.6	-105.2	100.2	0	0	0	109.6
135	D	22.5	Very low	24.7	Very low	141 Å²	141	123.4 Å²	123.4	75%	0.754	82%	0.823	S	S	*	*			cis	-165.9	162.9	-17.5	-161.5	5.1	0	0	0	108.5
136	V	22.6	Very low	24.6	Very low	105 Å²	105	128.4 Å²	128.4	64%	0.636	82%	0.824	S	S	*	*			trans	-66.1	152.8	-171.5	166.5	0	0	0	0	115	V138	V136-V138 HydrophobicContact CG1-CG2 4.33Å
137	R	21.5	Very low	24.4	Very low	254 Å²	254	133.4 Å²	133.4	96%	0.958	82%	0.821	S	S	*	*				-162.9	137.2	127.1	-102.9	174.7	-163.5	-156.3	4.2	114.5
138	V	23.5	Very low	24.3	Very low	130 Å²	130	137.6 Å²	137.6	79%	0.788	82%	0.817	S	S	*	*			trans	-110.1	146.5	-169.3	168.4	0	0	0	0	110.4	V136	V136-V138 HydrophobicContact CG1-CG2 4.33Å
139	A	22.6	Very low	24.2	Very low	104 Å²	104	140 Å²	140	86%	0.86	82%	0.822	S	S	*	*			trans	-159.2	137.4	148.2	0	0	0	0	0	106.4
140	G	22.9	Very low	24	Very low	72 Å²	72	143.9 Å²	143.9	74%	0.742	82%	0.821	S	S	*	*			cis	176.7	139.8	1.4	0	0	0	0	0	105.2
141	V	25	Very low	24	Very low	145 Å²	145	141.3 Å²	141.3	88%	0.879	82%	0.819	S	S	*	*			trans	-83	137.4	-171.2	172.9	0	0	0	0	111.8
142	A	22.5	Very low	23.1	Very low	102 Å²	102	144.8 Å²	144.8	84%	0.843	83%	0.828	S	S	*	*			trans	-161.2	127.1	149	0	0	0	0	0	111.8
143	G	23.8	Very low	23.6	Very low	75 Å²	75	150 Å²	150	77%	0.773	83%	0.829	S	S	*	*			trans	117.1	66.9	156.8	0	0	0	0	0	117.6	K145	G143-K145 PolarHBondContact O-N 2.93Å
144	L	23.5	Very low	24.6	Very low	173 Å²	173	152.3 Å²	152.3	91%	0.906	82%	0.823	S	S	*	*			trans	-66.6	115.1	160.6	-95.2	122.8	0	0	0	110.2
145	K	23.9	Very low	25	Very low	193 Å²	193	149.2 Å²	149.2	84%	0.839	81%	0.813	S	S	*	*			trans	-116.2	124.1	149.4	-82.4	-174.6	176.9	-180	0	107.5	G143 F147	G143-K145 PolarHBondContact O-N 2.93Å; K145-F147 PolarHBondContact O-N 3Å; K145-F147 VanDerWaalsContact O-N 3.17Å
146	H	22.9	Very low	26	Very low	187 Å²	187	149.4 Å²	149.4	87%	0.866	81%	0.809	S	S	*	*			trans	-43.5	116.3	172	-100.1	-82.4	0	0	0	110.9
147	F	21.5	Very low	26.7	Very low	193 Å²	193	144.9 Å²	144.9	85%	0.846	78%	0.782	S	S	*	*			trans	-98.5	103.2	159.9	-114.1	-91.8	0	0	0	106.8	K145 V149	K145-F147 PolarHBondContact O-N 3Å; K145-F147 VanDerWaalsContact O-N 3.17Å; F147-V149 PolarHBondContact O-N 2.99Å
148	E	22	Very low	27.5	Very low	175 Å²	175	135 Å²	135	82%	0.818	75%	0.751	S	S	*	*			trans	-58.2	119.9	161.1	-83.3	178.5	138.5	0	0	108.2	R150	E148-R150 PolarHBondContact O-N 2.83Å
149	V	23.4	Very low	28.5	Very low	145 Å²	145	130.4 Å²	130.4	88%	0.879	72%	0.721	S	S	*	*			trans	-71.1	89.6	165.7	179.6	0	0	0	0	106.6	F147 A151	F147-V149 PolarHBondContact O-N 2.99Å; V149-A151 PolarHBondContact O-N 2.99Å
150	R	22.4	Very low	29.3	Very low	227 Å²	227	127.9 Å²	127.9	86%	0.857	70%	0.696	S	S	*	*			trans	-66.7	112.1	168.1	-162.4	176.8	-169.6	177.9	3	106.8	E148 M152	E148-R150 PolarHBondContact O-N 2.83Å; R150-M152 PolarHBondContact O-N 2.93Å
151	A	24.5	Very low	30.4	Very low	92 Å²	92	128.7 Å²	128.7	76%	0.76	68%	0.677	S	S	*	*			trans	-48.6	113.7	169.2	0	0	0	0	0	108.7	V149 K153	V149-A151 PolarHBondContact O-N 2.99Å; A151-K153 PolarHBondContact O-N 2.86Å
152	M	25.1	Very low	30.8	Very low	189 Å²	189	126.9 Å²	126.9	93%	0.931	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-64.6	117.7	171.9	-83.1	-179.7	163.5	0	0	107.2	R150 E154	R150-M152 PolarHBondContact O-N 2.93Å; M152-E154 PolarHBondContact O-N 3.04Å
153	K	32.7	Very low	31.2	Very low	186 Å²	186	131.1 Å²	131.1	81%	0.809	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-57.2	127.7	164.3	-111.1	-178.1	171.4	-167.9	0	107.8	A151	A151-K153 PolarHBondContact O-N 2.86Å
154	E	43.2	Very low	31.5	Very low	144 Å²	144	133.1 Å²	133.1	67%	0.673	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-55.8	134.7	168.3	-68.7	-178.7	161.5	0	0	109.1	M152 E156	M152-E154 PolarHBondContact O-N 3.04Å; E154-E156 PolarHBondContact O-N 3.47Å
155	P	33.4	Very low	31.9	Very low	101 Å²	101	134 Å²	134	66%	0.656	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-67.6	129.3	180	25.7	-30.9	0	0	0	110.2
156	E	42.5	Very low	32.3	Very low	145 Å²	145	133.7 Å²	133.7	68%	0.678	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-66.7	131	176.7	-68.5	179.2	-177.8	0	0	109.5	E154 P158	E154-E156 PolarHBondContact O-N 3.47Å; E156-P158 WeakPolarHBondContact O-CD 3.19Å
157	P	37.9	Very low	32.7	Very low	11 Å²	11	132.6 Å²	132.6	7%	0.071	66%	0.659	C	S	.	*	P	Polyproline II helix	trans	-53.2	120.8	167.7	-22.8	31.2	0	0	0	109.7	H159 T382	P157-H159 PolarHBondContact O-N 3.06Å; P157-T382 HydrophobicContact CB-CG2 3.3Å; P157-T382 HydrophobicContact CG-CG2 3.52Å
158	P	38.2	Very low	33.2	Very low	45 Å²	45	132.7 Å²	132.7	29%	0.292	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-66.3	135.1	178.6	23.9	-31	0	0	0	109.7	E156 L377	E156-P158 WeakPolarHBondContact O-CD 3.19Å; P158-L377 HydrophobicContact CG-CD2 3.57Å
159	H	44.8	Very low	33.4	Very low	34 Å²	34	132.7 Å²	132.7	16%	0.157	67%	0.667	C	S	.	*	P	Polyproline II helix	trans	-66.3	137.6	167.3	-70.6	-72.6	0	0	0	108.8	P157 W161 E162 D340	P157-H159 PolarHBondContact O-N 3.06Å; H159-W161 HydrophobicContact CB-CD2 3.98Å; H159-W161 HydrophobicContact CB-CG 4.19Å; H159-W161 HydrophobicContact CB-CZ2 3.93Å; H159-W161 AromaticContact CG-CE2 3.84Å; H159-W161 AromaticContact CG-CZ2 3.83Å; H159-W161 AromaticContact CG-NE1 3.75Å; H159-W161 AromaticContact ND1-CE2 3.77Å; H159-W161 AromaticContact ND1-CH2 3.98Å; H159-W161 AromaticContact ND1-CZ2 3.26Å; H159-W161 VanDerWaalsContact ND1-CZ2 3.26Å; H159-W161 WeakPolarHBondContact ND1-CZ2 3.46Å; H159-W161 PolarHBondContact O-N 2.83Å; H159-E162 HydrophobicContact CB-CB 4.32Å; H159-E162 HydrophobicContact CB-CG 3.93Å; H159-E162 IonicContact CD2-OE1 3.02Å; H159-E162 PolarHBondContact CD2-OE1 2.85Å; H159-E162 IonicContact CD2-OE2 2.79Å; H159-E162 PolarHBondContact N-OE2 2.76Å; H159-E162 VanDerWaalsContact N-OE2 3.12Å; H159-E162 PolarHBondContact O-N 3.04Å; H159-D340 IonicContact CE1-OD1 3.66Å; H159-D340 IonicContact CE1-OD2 3.75Å; H159-D340 PolarHBondContact CE1-OD2 3.02Å; H159-D340 IonicContact ND1-OD2 2.75Å
160	P	38.2	Very low	33.6	Very low	52 Å²	52	129 Å²	129	34%	0.338	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.4	-18.9	176.8	-24.9	30.5	0	0	0	114.7	F339	P160-F339 HydrophobicContact CG-CD2 3.6Å; P160-F339 HydrophobicContact CG-CE2 3.6Å
161	W	47.1	Very low	33.8	Very low	89 Å²	89	126 Å²	126	34%	0.337	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.5	0.3	-178.1	50.5	84.1	0	0	0	114.2	H159 T545	H159-W161 HydrophobicContact CB-CD2 3.98Å; H159-W161 HydrophobicContact CB-CG 4.19Å; H159-W161 HydrophobicContact CB-CZ2 3.93Å; H159-W161 AromaticContact CG-CE2 3.84Å; H159-W161 AromaticContact CG-CZ2 3.83Å; H159-W161 AromaticContact CG-NE1 3.75Å; H159-W161 AromaticContact ND1-CE2 3.77Å; H159-W161 AromaticContact ND1-CH2 3.98Å; H159-W161 AromaticContact ND1-CZ2 3.26Å; H159-W161 VanDerWaalsContact ND1-CZ2 3.26Å; H159-W161 WeakPolarHBondContact ND1-CZ2 3.46Å; H159-W161 PolarHBondContact O-N 2.83Å; W161-T545 HydrophobicContact CZ2-CG2 4.33Å
162	E	34	Very low	33.8	Very low	106 Å²	106	127.1 Å²	127.1	50%	0.495	66%	0.661	S	S	.	*	S	Bend	trans	-76.8	125.5	168	-83.7	170.3	163.6	0	0	109.5	H159	H159-E162 HydrophobicContact CB-CB 4.32Å; H159-E162 HydrophobicContact CB-CG 3.93Å; H159-E162 IonicContact CD2-OE1 3.02Å; H159-E162 PolarHBondContact CD2-OE1 2.85Å; H159-E162 IonicContact CD2-OE2 2.79Å; H159-E162 PolarHBondContact N-OE2 2.76Å; H159-E162 VanDerWaalsContact N-OE2 3.12Å; H159-E162 PolarHBondContact O-N 3.04Å
163	K	30	Very low	34.5	Very low	191 Å²	191	123.3 Å²	123.3	83%	0.83	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-63.9	137.3	168	-68.5	-177	178.9	-179.2	0	107.8	E165	K163-E165 PolarHBondContact O-N 3.03Å
164	P	30.8	Very low	34.1	Very low	117 Å²	117	125.9 Å²	125.9	76%	0.76	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-56.9	129.1	169.7	-17.3	28.8	0	0	0	109.2	E166	P164-E166 PolarHBondContact O-N 2.72Å; P164-E166 VanDerWaalsContact O-N 3.1Å
165	E	31.9	Very low	33.3	Very low	193 Å²	193	126.6 Å²	126.6	90%	0.902	66%	0.658	S	S	*	*			trans	-64.7	109.2	166.6	-72.1	-170.7	158.8	0	0	108	K163 N167	K163-E165 PolarHBondContact O-N 3.03Å; E165-N167 PolarHBondContact O-N 2.79Å
166	E	32	Very low	33	Very low	186 Å²	186	130.5 Å²	130.5	87%	0.869	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-68	127.8	168.4	-81.8	-179.4	154.8	0	0	109.2	P164 Q168	P164-E166 PolarHBondContact O-N 2.72Å; P164-E166 VanDerWaalsContact O-N 3.1Å; E166-Q168 PolarHBondContact O-N 3.22Å
167	N	31.1	Very low	32.2	Very low	163 Å²	163	132.8 Å²	132.8	87%	0.872	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-53.2	128.7	176.8	-79.5	-37.4	0	0	0	111.5	E165 L169	E165-N167 PolarHBondContact O-N 2.79Å; N167-L169 PolarHBondContact O-N 3.2Å
168	Q	31.2	Very low	31.7	Very low	196 Å²	196	136.7 Å²	136.7	92%	0.916	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-59.3	121.3	171.4	-63.2	178.2	13.4	0	0	110.8	E166	E166-Q168 PolarHBondContact O-N 3.22Å
169	L	27.4	Very low	31.1	Very low	175 Å²	175	141.9 Å²	141.9	92%	0.916	73%	0.728	S	S	*	*			trans	-118.5	124.6	150.2	-121.5	93.1	0	0	0	107.4	N167	N167-L169 PolarHBondContact O-N 3.2Å
170	G	26.4	Very low	30.3	Very low	66 Å²	66	148 Å²	148	68%	0.68	76%	0.762	S	S	*	*			trans	-72.9	149.8	-172.3	0	0	0	0	0	114.8
171	D	27.1	Very low	29.8	Very low	165 Å²	165	150.2 Å²	150.2	88%	0.882	78%	0.779	S	S	*	*				177.9	113.9	104.1	-96.1	-24.3	0	0	0	111.4
172	S	24.5	Very low	28.9	Very low	116 Å²	116	154.3 Å²	154.3	81%	0.811	80%	0.801	S	S	*	*			trans	42.8	160.3	136.4	-85.4	0	0	0	0	125.1
173	P	39.9	Very low	28.8	Very low	109 Å²	109	155.9 Å²	155.9	71%	0.708	82%	0.818	S	S	*	*				-114	163.4	-125.6	41.5	-35.6	0	0	0	115.8
174	R	25.1	Very low	29.4	Very low	239 Å²	239	155.8 Å²	155.8	90%	0.902	82%	0.82	S	S	*	*			trans	-168.1	120.6	143.3	-105.1	162.2	-163	-154.5	4.8	114.5
175	E	26.5	Very low	29.6	Very low	159 Å²	159	154.5 Å²	154.5	74%	0.743	81%	0.812	S	S	*	*			trans	45.4	118.9	140.8	-66.4	-172.7	129.6	0	0	124.7
176	K	26.5	Very low	29.9	Very low	183 Å²	183	150.8 Å²	150.8	80%	0.796	80%	0.798	S	S	*	*				42.9	121.1	129.3	-66	178.1	179.3	170.2	0	119.9
177	Q	24.9	Very low	30.3	Very low	194 Å²	194	148.9 Å²	148.9	91%	0.907	79%	0.793	S	S	*	*				-177.4	161.2	100.8	-114.8	170.1	-10.4	0	0	112.4
178	S	27.3	Very low	30.5	Very low	92 Å²	92	148.1 Å²	148.1	64%	0.643	78%	0.784	S	S	*	*			trans	-65.7	154.5	-176	56.5	0	0	0	0	114.3
179	D	25.7	Very low	30.7	Very low	154 Å²	154	144.8 Å²	144.8	82%	0.824	77%	0.767	S	S	*	*				178.1	141.7	110	-87.6	-9.1	0	0	0	112.9
180	N	28.6	Very low	31.2	Very low	163 Å²	163	140.9 Å²	140.9	87%	0.872	75%	0.747	S	S	*	*			trans	-67.9	132	170	-86.5	-26.6	0	0	0	110.7
181	S	26.9	Very low	31.8	Very low	99 Å²	99	148 Å²	148	69%	0.692	75%	0.753	S	S	*	*			trans	168.3	144.4	132.9	47.9	0	0	0	0	112.2
182	H	29.1	Very low	32.2	Very low	174 Å²	174	146 Å²	146	81%	0.806	74%	0.738	S	S	*	*			trans	73.8	84.7	166.4	-59	-61.4	0	0	0	118.9	E184	H182-E184 PolarHBondContact O-N 3.33Å
183	V	32.3	Very low	32.7	Very low	139 Å²	139	146.8 Å²	146.8	84%	0.842	73%	0.729	S	S	*	*			trans	-95	76.8	164.7	-174.6	0	0	0	0	109.5
184	E	41.5	Very low	32.6	Very low	190 Å²	190	148.3 Å²	148.3	89%	0.888	73%	0.731	S	S	*	*			trans	-153.6	50	166.9	-138.5	173.2	-159.3	0	0	114.9	H182	H182-E184 PolarHBondContact O-N 3.33Å
185	P	35.1	Very low	33	Very low	89 Å²	89	139.9 Å²	139.9	58%	0.578	72%	0.718	S	S	*	*	S	Bend	trans	-133	6.3	152.3	26.8	-8.1	0	0	0	115.3
186	N	39.7	Very low	33.3	Very low	115 Å²	115	140.9 Å²	140.9	62%	0.615	72%	0.72	S	S	*	*	H	α-helix	trans	-80.6	-18.2	-168.3	-99	-22.1	0	0	0	115.9	L190	N186-L190 WeakPolarHBondContact O-CB 3.12Å; N186-L190 PolarHBondContact O-N 2.96Å; N186-L190 VanDerWaalsContact O-N 3.17Å
187	L	38.6	Very low	33.7	Very low	147 Å²	147	140 Å²	140	77%	0.77	72%	0.719	S	S	*	*	H	α-helix	trans	-79.6	-30.6	-179.8	-140.5	79.3	0	0	0	112.8	L190 R191	L187-L190 PolarHBondContact O-N 3.07Å; L187-R191 PolarHBondContact O-N 2.81Å; L187-R191 VanDerWaalsContact O-N 3.11Å
188	Q	37.2	Very low	34.3	Very low	146 Å²	146	140.7 Å²	140.7	68%	0.682	72%	0.719	S	S	*	*	H	α-helix	trans	-78.4	-36.9	179.4	-155.5	149.1	-3.3	0	0	111.2	L190 R191 E192	Q188-L190 VanDerWaalsContact C-N 3.31Å; Q188-L190 PolarHBondContact O-N 2.96Å; Q188-R191 PolarHBondContact O-N 3.38Å; Q188-E192 PolarHBondContact O-N 2.87Å
189	K	34.1	Very low	35.1	Very low	127 Å²	127	142.8 Å²	142.8	55%	0.552	72%	0.722	S	S	*	*	H	α-helix	trans	-64	-34.5	169	-125.8	176	-176.5	178.1	0	112.4	E192 Q193	K189-E192 PolarHBondContact O-N 2.69Å; K189-Q193 WeakPolarHBondContact O-CB 3.32Å; K189-Q193 WeakPolarHBondContact O-CG 3.23Å; K189-Q193 PolarHBondContact O-N 2.98Å
190	L	37.3	Very low	36.4	Very low	93 Å²	93	139.7 Å²	139.7	49%	0.487	71%	0.71	S	S	.	*	H	α-helix	trans	-67.3	-39.2	174.2	-159.3	76	0	0	0	112	N186 L187 Q188 Q193 L194	N186-L190 WeakPolarHBondContact O-CB 3.12Å; N186-L190 PolarHBondContact O-N 2.96Å; N186-L190 VanDerWaalsContact O-N 3.17Å; L187-L190 PolarHBondContact O-N 3.07Å; Q188-L190 VanDerWaalsContact C-N 3.31Å; Q188-L190 PolarHBondContact O-N 2.96Å; L190-Q193 PolarHBondContact O-N 2.87Å; L190-L194 HydrophobicContact CG-CD1 3.99Å; L190-L194 WeakPolarHBondContact O-CB 3.33Å; L190-L194 VanDerWaalsContact O-CD1 3.28Å; L190-L194 WeakPolarHBondContact O-CD1 3.41Å; L190-L194 PolarHBondContact O-N 2.95Å
191	R	39.8	Very low	37.9	Very low	215 Å²	215	135.5 Å²	135.5	81%	0.811	69%	0.688	S	S	*	*	H	α-helix	trans	-64.4	-38.6	172.6	-104.1	-179.9	168.8	174.7	-2.7	112.7	L187 Q188 G195	L187-R191 PolarHBondContact O-N 2.81Å; L187-R191 VanDerWaalsContact O-N 3.11Å; Q188-R191 PolarHBondContact O-N 3.38Å; R191-G195 PolarHBondContact O-N 2.93Å
192	E	36.3	Very low	39.4	Very low	122 Å²	122	133.6 Å²	133.6	57%	0.57	67%	0.673	S	S	*	*	H	α-helix	trans	-77.2	-28.9	178.1	-73.7	-179.2	174.7	0	0	113.4	Q188 K189	Q188-E192 PolarHBondContact O-N 2.87Å; K189-E192 PolarHBondContact O-N 2.69Å
193	Q	33.6	Very low	41	Very low	134 Å²	134	129.6 Å²	129.6	63%	0.626	66%	0.657	S	S	*	*	H	α-helix	trans	-79.3	-35.7	174.4	-76.7	-179.3	-28.9	0	0	112.6	K189 L190 G195 K196	K189-Q193 WeakPolarHBondContact O-CB 3.32Å; K189-Q193 WeakPolarHBondContact O-CG 3.23Å; K189-Q193 PolarHBondContact O-N 2.98Å; L190-Q193 PolarHBondContact O-N 2.87Å; Q193-G195 PolarHBondContact O-N 3.38Å; Q193-K196 PolarHBondContact O-N 2.56Å
194	L	38.3	Very low	42.6	Very low	141 Å²	141	131 Å²	131	74%	0.738	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-17.5	168.9	-100.1	99.7	0	0	0	113.4	L190	L190-L194 HydrophobicContact CG-CD1 3.99Å; L190-L194 WeakPolarHBondContact O-CB 3.33Å; L190-L194 VanDerWaalsContact O-CD1 3.28Å; L190-L194 WeakPolarHBondContact O-CD1 3.41Å; L190-L194 PolarHBondContact O-N 2.95Å
195	G	33	Very low	44	Very low	62 Å²	62	124.4 Å²	124.4	64%	0.639	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-3.3	179.2	0	0	0	0	0	115.5	R191 Q193	R191-G195 PolarHBondContact O-N 2.93Å; Q193-G195 PolarHBondContact O-N 3.38Å
196	K	32.8	Very low	46.1	Very low	180 Å²	180	120.5 Å²	120.5	78%	0.783	60%	0.6	S	S	*	*	S	Bend	trans	-116.1	1.3	-169	-81.6	-175.7	179.8	175.7	0	116.9	Q193	Q193-K196 PolarHBondContact O-N 2.56Å
197	E	34.8	Very low	48.2	Very low	164 Å²	164	117.2 Å²	117.2	77%	0.766	59%	0.594	S	S	*	*	S	Bend	trans	-95	116.3	159.4	-74.8	-171.5	161.6	0	0	109	L199	E197-L199 PolarHBondContact O-N 3.38Å
198	K	37.5	Very low	50.4	Low	209 Å²	209	115.4 Å²	115.4	91%	0.909	59%	0.585	S	S	*	*			trans	-66.2	85.5	165.5	-82.8	-177.6	177.1	177.7	0	107.6
199	L	45.8	Very low	52.9	Low	135 Å²	135	109.5 Å²	109.5	71%	0.707	56%	0.558	S	S	*	*			trans	-49.8	127.1	162.8	-85.1	150.8	0	0	0	107.3	E197 D201	E197-L199 PolarHBondContact O-N 3.38Å; L199-D201 PolarHBondContact O-N 2.96Å
200	P	51	Low	55.4	Low	90 Å²	90	106.2 Å²	106.2	58%	0.584	55%	0.545	S	S	*	.			trans	-54	140	174.1	20.1	-28.9	0	0	0	108.6
201	D	60.2	Low	58	Low	75 Å²	75	105.8 Å²	105.8	40%	0.401	55%	0.546	S	S	.	.			trans	-42.3	118.8	177.3	179.2	-6.7	0	0	0	109.2	L199 I203 K204 S205	L199-D201 PolarHBondContact O-N 2.96Å; D201-I203 PolarHBondContact O-N 2.7Å; D201-I203 PolarHBondContact OD1-N 2.98Å; D201-I203 VanDerWaalsContact OD1-N 3.15Å; D201-K204 HydrophobicContact CB-CB 4.12Å; D201-K204 HydrophobicContact CB-CD 4.06Å; D201-K204 HydrophobicContact CB-CG 3.94Å; D201-K204 WeakPolarHBondContact O-CA 3.45Å; D201-K204 WeakPolarHBondContact O-CB 3.46Å; D201-K204 PolarHBondContact O-N 3.24Å; D201-S205 PolarHBondContact O-N 3.13Å; D201-S205 VanDerWaalsContact O-N 3.11Å
202	P	59.3	Low	60.5	Low	59 Å²	59	102.9 Å²	102.9	38%	0.383	54%	0.535	S	S	.	.	H	α-helix	trans	-54.3	-27.8	-174.5	-23	29.6	0	0	0	112.7	S205 M206 L372	P202-S205 PolarHBondContact O-OG 2.76Å; P202-S205 VanDerWaalsContact O-OG 3.13Å; P202-M206 WeakPolarHBondContact O-CB 3.22Å; P202-M206 PolarHBondContact O-N 2.95Å; P202-L372 HydrophobicContact CB-CD1 3.76Å
203	I	63.7	Low	63.3	Low	90 Å²	90	100 Å²	100	46%	0.462	53%	0.529	S	S	.	.	H	α-helix	trans	-72	-39.3	176.5	-60.9	175	0	0	0	110.9	D201 M206 F394	D201-I203 PolarHBondContact O-N 2.7Å; D201-I203 PolarHBondContact OD1-N 2.98Å; D201-I203 VanDerWaalsContact OD1-N 3.15Å; I203-M206 PolarHBondContact O-N 3.27Å; I203-F394 HydrophobicContact CG1-CE1 4.41Å
204	K	65.8	Low	66.4	Low	167 Å²	167	95.6 Å²	95.6	73%	0.726	51%	0.507	S	S	*	.	H	α-helix	trans	-70	-37.3	178.4	-69.6	-174.7	-177.8	-179.5	0	112.6	D201 M206	D201-K204 HydrophobicContact CB-CB 4.12Å; D201-K204 HydrophobicContact CB-CD 4.06Å; D201-K204 HydrophobicContact CB-CG 3.94Å; D201-K204 WeakPolarHBondContact O-CA 3.45Å; D201-K204 WeakPolarHBondContact O-CB 3.46Å; D201-K204 PolarHBondContact O-N 3.24Å; K204-M206 VanDerWaalsContact C-N 3.32Å
205	S	69.6	Low	69.2	Low	52 Å²	52	93.6 Å²	93.6	36%	0.364	49%	0.494	S	S	.	.	H	α-helix	trans	-74.2	-24.7	178	60.5	0	0	0	0	113	D201 P202	D201-S205 PolarHBondContact O-N 3.13Å; D201-S205 VanDerWaalsContact O-N 3.11Å; P202-S205 PolarHBondContact O-OG 2.76Å; P202-S205 VanDerWaalsContact O-OG 3.13Å
206	M	78.8	Confident	72.2	Confident	7 Å²	7	90.8 Å²	90.8	3%	0.034	46%	0.464	C	S	.	.	H	α-helix	trans	-76.6	-23.3	-179.9	-170.3	-179.6	-64.8	0	0	113.8	P202 I203 K204 D208 L209 H210 L372 L375 Y392 F394	P202-M206 WeakPolarHBondContact O-CB 3.22Å; P202-M206 PolarHBondContact O-N 2.95Å; I203-M206 PolarHBondContact O-N 3.27Å; K204-M206 VanDerWaalsContact C-N 3.32Å; M206-D208 PolarHBondContact O-N 3.14Å; M206-L209 HydrophobicContact CG-CB 4.05Å; M206-L209 WeakPolarHBondContact O-CB 3.36Å; M206-L209 PolarHBondContact O-N 2.92Å; M206-L209 VanDerWaalsContact O-N 3.15Å; M206-H210 HydrophobicContact CG-CB 4.3Å; M206-H210 HydrophobicContact SD-CB 3.41Å; M206-H210 WeakPolarHBondContact SD-CB 3.25Å; M206-H210 VanDerWaalsContact SD-CG 3.51Å; M206-H210 PolarHBondContact SD-ND1 3.39Å; M206-H210 VanDerWaalsContact SD-ND1 3.41Å; M206-L372 HydrophobicContact CE-CD1 3.63Å; M206-L375 HydrophobicContact CB-CD1 4.46Å; M206-L375 HydrophobicContact CB-CD2 4.16Å; M206-L375 HydrophobicContact CE-CD1 4.3Å; M206-L375 HydrophobicContact CE-CD2 3.52Å; M206-L375 HydrophobicContact CE-CG 4.45Å; M206-L375 HydrophobicContact CG-CD1 4.05Å; M206-L375 HydrophobicContact CG-CD2 4.38Å; M206-Y392 HydrophobicContact CE-CE1 3.65Å; M206-Y392 HydrophobicContact CG-CE1 4.35Å; M206-Y392 HydrophobicContact SD-CD1 4.46Å; M206-Y392 HydrophobicContact SD-CE1 3.82Å; M206-F394 HydrophobicContact CE-CB 4.2Å; M206-F394 HydrophobicContact CE-CD1 3.56Å; M206-F394 HydrophobicContact CE-CD2 4.23Å; M206-F394 HydrophobicContact CE-CE1 3.93Å; M206-F394 HydrophobicContact CE-CG 3.73Å; M206-F394 HydrophobicContact CE-CZ 4.45Å; M206-F394 HydrophobicContact SD-CB 4.13Å; M206-F394 HydrophobicContact SD-CD1 3.69Å; M206-F394 HydrophobicContact SD-CE1 4.42Å; M206-F394 HydrophobicContact SD-CG 4.09Å
207	G	84.4	Confident	75.1	Confident	47 Å²	47	88.3 Å²	88.3	49%	0.485	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	-132.6	-176.8	0	0	0	0	0	111.9	L209 H210	G207-L209 VanDerWaalsContact C-N 3.34Å; G207-H210 PolarHBondContact O-CE1 3.45Å; G207-H210 PolarHBondContact O-ND1 3.49Å
208	D	85.3	Confident	78	Confident	109 Å²	109	84.4 Å²	84.4	58%	0.583	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-1	-179.9	71.1	-22.4	0	0	0	114.1	M206 H210 T211 R212	M206-D208 PolarHBondContact O-N 3.14Å; D208-H210 VanDerWaalsContact C-N 3.3Å; D208-H210 PolarHBondContact O-N 3.2Å; D208-H210 VanDerWaalsContact O-N 3.17Å; D208-T211 CarbonylContact O-C 3.59Å; D208-T211 PolarHBondContact O-N 3.41Å; D208-T211 PolarHBondContact O-OG1 2.8Å; D208-R212 PolarHBondContact O-N 3.15Å
209	L	89.1	Confident	80.6	Confident	22 Å²	22	75.8 Å²	75.8	12%	0.115	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-38.8	-168.4	-171.7	67.5	0	0	0	113.4	M206 G207 T211 L375 L378 Y392	M206-L209 HydrophobicContact CG-CB 4.05Å; M206-L209 WeakPolarHBondContact O-CB 3.36Å; M206-L209 PolarHBondContact O-N 2.92Å; M206-L209 VanDerWaalsContact O-N 3.15Å; G207-L209 VanDerWaalsContact C-N 3.34Å; L209-T211 VanDerWaalsContact C-N 3.32Å; L209-T211 PolarHBondContact O-N 3.26Å; L209-L375 HydrophobicContact CD2-CD1 3.75Å; L209-L378 HydrophobicContact CD2-CD2 3.85Å; L209-Y392 HydrophobicContact CD2-CD1 4.12Å; L209-Y392 HydrophobicContact CD2-CG 4.36Å; L209-Y392 HydrophobicContact CG-CD1 4.25Å
210	H	86.4	Confident	82.9	Confident	57 Å²	57	79 Å²	79	26%	0.264	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.7	178.4	61.4	-67.7	0	0	0	114.3	M206 G207 D208 F394 R424	M206-H210 HydrophobicContact CG-CB 4.3Å; M206-H210 HydrophobicContact SD-CB 3.41Å; M206-H210 WeakPolarHBondContact SD-CB 3.25Å; M206-H210 VanDerWaalsContact SD-CG 3.51Å; M206-H210 PolarHBondContact SD-ND1 3.39Å; M206-H210 VanDerWaalsContact SD-ND1 3.41Å; G207-H210 PolarHBondContact O-CE1 3.45Å; G207-H210 PolarHBondContact O-ND1 3.49Å; D208-H210 VanDerWaalsContact C-N 3.3Å; D208-H210 PolarHBondContact O-N 3.2Å; D208-H210 VanDerWaalsContact O-N 3.17Å; H210-F394 HydrophobicContact CB-CB 3.93Å; H210-R424 PolarHBondContact O-NH1 3.17Å; H210-R424 PolarHBondContact O-NH2 2.89Å
211	T	91.3	Very high	84.9	Confident	85 Å²	85	78.3 Å²	78.3	52%	0.521	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-12.1	177	56.8	0	0	0	0	113.3	D208 L209 S213	D208-T211 CarbonylContact O-C 3.59Å; D208-T211 PolarHBondContact O-N 3.41Å; D208-T211 PolarHBondContact O-OG1 2.8Å; L209-T211 VanDerWaalsContact C-N 3.32Å; L209-T211 PolarHBondContact O-N 3.26Å; T211-S213 PolarHBondContact O-N 3.27Å
212	R	92.8	Very high	86.5	Confident	153 Å²	153	77.8 Å²	77.8	58%	0.577	41%	0.408	S	S	*	.			trans	-58.9	130.2	-174	-175.7	172	176.1	178.9	0.5	111.4	D208 R424	D208-R212 PolarHBondContact O-N 3.15Å; R212-R424 PolarHBondContact O-NH1 2.84Å
213	S	96.2	Very high	88.2	Confident	62 Å²	62	76.1 Å²	76.1	43%	0.434	39%	0.394	S	S	.	.			trans	-81.1	148.6	169.1	-67.9	0	0	0	0	110.8	T211 R424	T211-S213 PolarHBondContact O-N 3.27Å; S213-R424 CarbonylContact C-O 3.14Å; S213-R424 VanDerWaalsContact CA-O 3.3Å; S213-R424 WeakPolarHBondContact CA-O 3.27Å
214	Y	97.4	Very high	89.7	Confident	42 Å²	42	72.3 Å²	72.3	17%	0.165	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.1	178.3	-171.9	-84.6	0	0	0	110.3	L216 D354 L355 H388 R424 K426	Y214-L216 HydrophobicContact CE1-CD1 4.06Å; Y214-L216 PolarHBondContact O-N 2.93Å; Y214-D354 PolarHBondContact OH-O 2.84Å; Y214-L355 HydrophobicContact CD1-CD1 3.76Å; Y214-L355 HydrophobicContact CD1-CD2 3.88Å; Y214-L355 HydrophobicContact CD1-CG 4.35Å; Y214-L355 HydrophobicContact CD2-CD1 3.89Å; Y214-L355 HydrophobicContact CE1-CB 4.37Å; Y214-L355 HydrophobicContact CE1-CD1 3.72Å; Y214-L355 HydrophobicContact CE1-CD2 4.25Å; Y214-L355 HydrophobicContact CE1-CG 4.34Å; Y214-L355 HydrophobicContact CE2-CD1 3.85Å; Y214-L355 HydrophobicContact CG-CD1 3.84Å; Y214-L355 HydrophobicContact CG-CD2 4.38Å; Y214-H388 VanDerWaalsContact CE2-O 3.25Å; Y214-H388 WeakPolarHBondContact CE2-O 3.33Å; Y214-H388 PolarHBondContact OH-O 2.81Å; Y214-R424 PolarHBondContact N-O 3.23Å; Y214-K426 PolarHBondContact O-N 3.45Å
215	Q	97.3	Very high	91.1	Very high	99 Å²	99	66.5 Å²	66.5	46%	0.463	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	109	173.5	-179	60.4	48.4	0	0	109.2	Q217 K426	Q215-Q217 VanDerWaalsContact CG-NE2 3.3Å; Q215-Q217 PolarHBondContact O-N 3.21Å; Q215-K426 PolarHBondContact NE2-O 3.36Å
216	L	96.6	Very high	92.1	Very high	3 Å²	3	72.8 Å²	72.8	2%	0.016	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-71.2	124.5	176.6	-164.2	64.4	0	0	0	109.3	Y214 R328 I330 D354 L355 V425 K426	Y214-L216 HydrophobicContact CE1-CD1 4.06Å; Y214-L216 PolarHBondContact O-N 2.93Å; L216-R328 HydrophobicContact CD2-CB 3.86Å; L216-R328 HydrophobicContact CG-CB 4.28Å; L216-I330 HydrophobicContact CD2-CD1 4.2Å; L216-I330 HydrophobicContact CD2-CG1 4.4Å; L216-D354 HydrophobicContact CD1-CB 4.18Å; L216-L355 HydrophobicContact CD1-CB 3.86Å; L216-L355 HydrophobicContact CD1-CD2 4.3Å; L216-V425 HydrophobicContact CB-CG1 3.98Å; L216-V425 HydrophobicContact CD2-CG1 4.32Å; L216-K426 WeakPolarHBondContact CB-O 3.4Å; L216-K426 PolarHBondContact N-O 2.87Å
217	Q	94.7	Very high	92.5	Very high	127 Å²	127	74.5 Å²	74.5	59%	0.593	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-99.2	148	-176.6	-62.4	-63.1	-26.3	0	0	110.6	Q215 R328	Q215-Q217 VanDerWaalsContact CG-NE2 3.3Å; Q215-Q217 PolarHBondContact O-N 3.21Å; Q217-R328 WeakPolarHBondContact O-CD 3.38Å
218	D	94.1	Very high	92.3	Very high	83 Å²	83	78.1 Å²	78.1	44%	0.444	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-72	136.8	172.3	-74.8	-14.8	0	0	0	111.2	K220 R328	D218-K220 PolarHBondContact O-N 2.86Å; D218-R328 IonicContact OD1-CZ 3.53Å; D218-R328 IonicContact OD1-NE 2.99Å; D218-R328 IonicContact OD1-NH1 2.66Å; D218-R328 PolarHBondContact OD1-NH1 2.82Å
219	D	93.4	Very high	92.1	Very high	28 Å²	28	80.4 Å²	80.4	15%	0.15	40%	0.398	C	S	.	.			trans	-76.5	115.9	174	-173.3	-4.1	0	0	0	110.5	T221 Y223 P326 K452	D219-T221 WeakPolarHBondContact OD1-CB 3.43Å; D219-T221 PolarHBondContact OD1-N 2.8Å; D219-T221 PolarHBondContact OD1-OG1 2.9Å; D219-Y223 WeakPolarHBondContact OD2-CE2 3.24Å; D219-Y223 PolarHBondContact OD2-OH 2.83Å; D219-P326 HydrophobicContact CB-CB 4.45Å; D219-K452 WeakPolarHBondContact OD2-CE 3.21Å; D219-K452 IonicContact OD2-NZ 2.68Å; D219-K452 PolarHBondContact OD2-NZ 3.39Å
220	K	93.2	Very high	91.9	Very high	201 Å²	201	81.5 Å²	81.5	87%	0.874	41%	0.414	S	S	*	.			trans	-92.8	3.5	-179.5	-59.6	-179.8	-176.3	176.2	0	112.8	D218 S222	D218-K220 PolarHBondContact O-N 2.86Å; K220-S222 PolarHBondContact O-N 2.7Å
221	T	93.5	Very high	92.1	Very high	77 Å²	77	79.2 Å²	79.2	47%	0.472	41%	0.405	S	S	.	.			trans	-64.9	126.4	-177.7	-55.6	0	0	0	0	110.7	D219 Y223	D219-T221 WeakPolarHBondContact OD1-CB 3.43Å; D219-T221 PolarHBondContact OD1-N 2.8Å; D219-T221 PolarHBondContact OD1-OG1 2.9Å; T221-Y223 HydrophobicContact CG2-CD1 4.23Å; T221-Y223 HydrophobicContact CG2-CD2 4.13Å; T221-Y223 HydrophobicContact CG2-CE1 3.94Å; T221-Y223 HydrophobicContact CG2-CE2 3.85Å; T221-Y223 HydrophobicContact CG2-CG 4.34Å; T221-Y223 WeakPolarHBondContact O-CD2 2.95Å; T221-Y223 PolarHBondContact O-N 3.13Å; T221-Y223 VanDerWaalsContact O-N 3.13Å
222	S	93.1	Very high	92.2	Very high	63 Å²	63	79.2 Å²	79.2	44%	0.441	40%	0.396	S	S	.	.			trans	-82.2	90.6	174.7	-177.1	0	0	0	0	110.4	K220 F224 R235	K220-S222 PolarHBondContact O-N 2.7Å; S222-F224 PolarHBondContact OG-O 2.97Å; S222-F224 VanDerWaalsContact OG-O 3.13Å; S222-R235 WeakPolarHBondContact O-CD 3.45Å; S222-R235 PolarHBondContact O-NE 2.67Å; S222-R235 PolarHBondContact O-NH1 2.88Å; S222-R235 PolarHBondContact OG-NH2 2.82Å
223	Y	95.9	Very high	92.3	Very high	24 Å²	24	71.9 Å²	71.9	9%	0.094	37%	0.368	C	S	.	.			trans	-74	-22.8	-180	-70.4	-79	0	0	0	114.9	D219 T221 F234 R235 P326 L449 L453	D219-Y223 WeakPolarHBondContact OD2-CE2 3.24Å; D219-Y223 PolarHBondContact OD2-OH 2.83Å; T221-Y223 HydrophobicContact CG2-CD1 4.23Å; T221-Y223 HydrophobicContact CG2-CD2 4.13Å; T221-Y223 HydrophobicContact CG2-CE1 3.94Å; T221-Y223 HydrophobicContact CG2-CE2 3.85Å; T221-Y223 HydrophobicContact CG2-CG 4.34Å; T221-Y223 WeakPolarHBondContact O-CD2 2.95Å; T221-Y223 PolarHBondContact O-N 3.13Å; T221-Y223 VanDerWaalsContact O-N 3.13Å; Y223-F234 HydrophobicContact CD1-CE2 4.04Å; Y223-F234 HydrophobicContact CG-CE2 4.47Å; Y223-F234 VanDerWaalsContact O-CD2 3.3Å; Y223-F234 WeakPolarHBondContact O-CD2 3.18Å; Y223-R235 WeakPolarHBondContact O-CB 3.37Å; Y223-R235 WeakPolarHBondContact O-CG 3.46Å; Y223-R235 PolarHBondContact O-N 3.24Å; Y223-P326 HydrophobicContact CD2-CG 4.11Å; Y223-P326 HydrophobicContact CE2-CG 4.13Å; Y223-L449 HydrophobicContact CE1-CD2 3.98Å; Y223-L453 HydrophobicContact CD1-CD1 3.81Å; Y223-L453 HydrophobicContact CD1-CD2 4.32Å; Y223-L453 HydrophobicContact CD2-CD1 4.33Å; Y223-L453 HydrophobicContact CD2-CD2 3.34Å; Y223-L453 HydrophobicContact CD2-CG 4.45Å; Y223-L453 HydrophobicContact CE1-CD1 4.36Å; Y223-L453 HydrophobicContact CE2-CD2 3.75Å; Y223-L453 HydrophobicContact CG-CD1 3.77Å; Y223-L453 HydrophobicContact CG-CD2 3.63Å; Y223-L453 HydrophobicContact CG-CG 4.36Å
224	F	95.6	Very high	92.3	Very high	11 Å²	11	69 Å²	69	5%	0.048	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	158.8	-178.1	-66.1	-98.5	0	0	0	111.1	S222 Y232 C233 F234 R235 P322 L453 F454	S222-F224 PolarHBondContact OG-O 2.97Å; S222-F224 VanDerWaalsContact OG-O 3.13Å; F224-Y232 HydrophobicContact CB-CD1 4.4Å; F224-Y232 HydrophobicContact CB-CD2 4.16Å; F224-Y232 HydrophobicContact CB-CE1 3.74Å; F224-Y232 HydrophobicContact CB-CE2 3.46Å; F224-Y232 VanDerWaalsContact CB-CE2 3.46Å; F224-Y232 WeakPolarHBondContact CB-OH 3.36Å; F224-Y232 HydrophobicContact CD1-CD1 4.09Å; F224-Y232 AromaticContact CD1-CE1 3.73Å; F224-Y232 HydrophobicContact CD1-CE1 3.73Å; F224-Y232 HydrophobicContact CD2-CE1 4.42Å; F224-Y232 HydrophobicContact CG-CD1 4.43Å; F224-Y232 AromaticContact CG-CE1 3.7Å; F224-Y232 HydrophobicContact CG-CE1 3.7Å; F224-Y232 HydrophobicContact CG-CE2 4.35Å; F224-Y232 AromaticContact CG-CZ 3.67Å; F224-C233 CarbonylContact C-O 3.48Å; F224-C233 VanDerWaalsContact CA-O 3.24Å; F224-C233 WeakPolarHBondContact CA-O 3.27Å; F224-F234 HydrophobicContact CD1-CB 4.02Å; F224-F234 HydrophobicContact CE1-CB 3.67Å; F224-F234 HydrophobicContact CE1-CD2 4.31Å; F224-F234 HydrophobicContact CE1-CG 4.43Å; F224-F234 HydrophobicContact CE2-CD2 4.27Å; F224-F234 HydrophobicContact CZ-CB 4.21Å; F224-F234 HydrophobicContact CZ-CD2 4.08Å; F224-R235 PolarHBondContact O-NE 3.13Å; F224-P322 HydrophobicContact CD1-CB 4.32Å; F224-P322 HydrophobicContact CD1-CG 4.41Å; F224-P322 HydrophobicContact CE1-CB 3.72Å; F224-P322 HydrophobicContact CE1-CG 3.67Å; F224-P322 HydrophobicContact CE2-CB 4.04Å; F224-P322 HydrophobicContact CZ-CB 3.58Å; F224-P322 HydrophobicContact CZ-CG 3.93Å; F224-L453 HydrophobicContact CE2-CB 4.32Å; F224-L453 HydrophobicContact CE2-CD1 4.45Å; F224-F454 HydrophobicContact CE1-CZ 4.27Å; F224-F454 AromaticContact CZ-CE2 3.97Å; F224-F454 HydrophobicContact CZ-CE2 3.97Å; F224-F454 AromaticContact CZ-CZ 3.95Å; F224-F454 HydrophobicContact CZ-CZ 3.95Å
225	V	93.8	Very high	92.2	Very high	44 Å²	44	72.5 Å²	72.5	27%	0.267	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.3	177.8	64.6	0	0	0	0	109.7	Y232 C233 R235	V225-Y232 WeakPolarHBondContact O-CA 3.42Å; V225-C233 PolarHBondContact N-O 3.09Å; V225-C233 PolarHBondContact O-N 3.39Å; V225-R235 HydrophobicContact CB-CG 3.87Å; V225-R235 HydrophobicContact CG1-CG 3.79Å
226	R	91.8	Very high	92.1	Very high	185 Å²	185	71.4 Å²	71.4	70%	0.698	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.8	166.8	-71.2	-176.2	179.1	-102.7	3.7	108.8	A231 Y232	R226-A231 CarbonylContact C-O 3.57Å; R226-A231 WeakPolarHBondContact CA-O 3.49Å; R226-Y232 HydrophobicContact CG-CD2 3.95Å
227	T	87.3	Confident	92	Very high	43 Å²	43	71.2 Å²	71.2	26%	0.264	36%	0.355	S	S	.	.			trans	-66.8	164.1	175.6	61	0	0	0	0	111	R229 G230 A231 C233	T227-R229 PolarHBondContact O-N 3.18Å; T227-R229 VanDerWaalsContact O-N 3.08Å; T227-G230 WeakPolarHBondContact O-CA 3.41Å; T227-G230 PolarHBondContact O-N 3.41Å; T227-A231 PolarHBondContact N-O 2.95Å; T227-A231 WeakPolarHBondContact OG1-CB 3.45Å; T227-A231 PolarHBondContact OG1-N 3Å; T227-A231 PolarHBondContact OG1-O 3.01Å; T227-C233 HydrophobicContact CG2-CB 4.41Å
228	S	80.1	Confident	91.9	Very high	123 Å²	123	65.3 Å²	65.3	86%	0.86	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.3	175.5	54.3	0	0	0	0	113.5	G230	S228-G230 VanDerWaalsContact C-N 3.34Å
229	R	80.9	Confident	91.7	Very high	157 Å²	157	66 Å²	66	59%	0.592	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	4.1	175.9	-59.5	178.2	68	173.5	4.1	112.8	T227 V290	T227-R229 PolarHBondContact O-N 3.18Å; T227-R229 VanDerWaalsContact O-N 3.08Å; R229-V290 HydrophobicContact CB-CB 4.25Å; R229-V290 HydrophobicContact CB-CG1 3.21Å; R229-V290 HydrophobicContact CB-CG2 4.11Å; R229-V290 HydrophobicContact CG-CG1 4.37Å; R229-V290 WeakPolarHBondContact O-CB 3.37Å; R229-V290 WeakPolarHBondContact O-CG1 3.49Å; R229-V290 WeakPolarHBondContact O-CG2 3.27Å
230	G	84.8	Confident	91	Very high	44 Å²	44	69.5 Å²	69.5	45%	0.454	35%	0.346	S	S	.	.	S	Bend	trans	87.7	-0.4	174.9	0	0	0	0	0	116.3	T227 S228	T227-G230 WeakPolarHBondContact O-CA 3.41Å; T227-G230 PolarHBondContact O-N 3.41Å; S228-G230 VanDerWaalsContact C-N 3.34Å
231	A	90	Very high	89.5	Confident	9 Å²	9	68.9 Å²	68.9	7%	0.074	34%	0.343	C	S	.	.			trans	-72.2	135.3	175.9	0	0	0	0	0	111.4	R226 T227 V290	R226-A231 CarbonylContact C-O 3.57Å; R226-A231 WeakPolarHBondContact CA-O 3.49Å; T227-A231 PolarHBondContact N-O 2.95Å; T227-A231 WeakPolarHBondContact OG1-CB 3.45Å; T227-A231 PolarHBondContact OG1-N 3Å; T227-A231 PolarHBondContact OG1-O 3.01Å; A231-V290 HydrophobicContact CB-CB 4.19Å; A231-V290 HydrophobicContact CB-CG1 3.66Å; A231-V290 WeakPolarHBondContact CB-O 3.47Å
232	Y	93.6	Very high	87.2	Confident	85 Å²	85	74.2 Å²	74.2	33%	0.333	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.9	175.4	-172.9	-115	0	0	0	109.3	F224 V225 R226 C292 Y302 P322	F224-Y232 HydrophobicContact CB-CD1 4.4Å; F224-Y232 HydrophobicContact CB-CD2 4.16Å; F224-Y232 HydrophobicContact CB-CE1 3.74Å; F224-Y232 HydrophobicContact CB-CE2 3.46Å; F224-Y232 VanDerWaalsContact CB-CE2 3.46Å; F224-Y232 WeakPolarHBondContact CB-OH 3.36Å; F224-Y232 HydrophobicContact CD1-CD1 4.09Å; F224-Y232 AromaticContact CD1-CE1 3.73Å; F224-Y232 HydrophobicContact CD1-CE1 3.73Å; F224-Y232 HydrophobicContact CD2-CE1 4.42Å; F224-Y232 HydrophobicContact CG-CD1 4.43Å; F224-Y232 AromaticContact CG-CE1 3.7Å; F224-Y232 HydrophobicContact CG-CE1 3.7Å; F224-Y232 HydrophobicContact CG-CE2 4.35Å; F224-Y232 AromaticContact CG-CZ 3.67Å; V225-Y232 WeakPolarHBondContact O-CA 3.42Å; R226-Y232 HydrophobicContact CG-CD2 3.95Å; Y232-C292 PolarHBondContact O-SG 3.26Å; Y232-C292 VanDerWaalsContact O-SG 3.36Å; Y232-Y302 HydrophobicContact CD1-CD1 4.41Å; Y232-Y302 WeakPolarHBondContact O-CD1 3.35Å; Y232-P322 HydrophobicContact CE1-CB 4.05Å; Y232-P322 HydrophobicContact CE1-CG 4.47Å
233	C	95.6	Very high	84.5	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.9	-167.1	-52	0	0	0	0	111.6	F224 V225 T227 R235 T238 C292	F224-C233 CarbonylContact C-O 3.48Å; F224-C233 VanDerWaalsContact CA-O 3.24Å; F224-C233 WeakPolarHBondContact CA-O 3.27Å; V225-C233 PolarHBondContact N-O 3.09Å; V225-C233 PolarHBondContact O-N 3.39Å; T227-C233 HydrophobicContact CG2-CB 4.41Å; C233-R235 PolarHBondContact O-N 2.87Å; C233-T238 HydrophobicContact CB-CG2 3.91Å; C233-T238 VanDerWaalsContact CB-OG1 3.26Å; C233-T238 WeakPolarHBondContact CB-OG1 3.14Å; C233-C292 WeakPolarHBondContact CA-SG 3.41Å; C233-C292 HydrophobicContact CB-CB 3.81Å; C233-C292 WeakPolarHBondContact CB-SG 3.25Å; C233-C292 WeakPolarHBondContact SG-CB 3.41Å; C233-C292 CovalentContact SG-SG 2.02Å; C233-C292 PolarHBondContact SG-SG 3.03Å
234	F	96.3	Very high	81.8	Confident	2 Å²	2	79.5 Å²	79.5	1%	0.009	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	125.2	173.8	178.5	-121.6	0	0	0	109.8	Y223 F224 Q236 G237 T238 W298 Y302 C303 L453	Y223-F234 HydrophobicContact CD1-CE2 4.04Å; Y223-F234 HydrophobicContact CG-CE2 4.47Å; Y223-F234 VanDerWaalsContact O-CD2 3.3Å; Y223-F234 WeakPolarHBondContact O-CD2 3.18Å; F224-F234 HydrophobicContact CD1-CB 4.02Å; F224-F234 HydrophobicContact CE1-CB 3.67Å; F224-F234 HydrophobicContact CE1-CD2 4.31Å; F224-F234 HydrophobicContact CE1-CG 4.43Å; F224-F234 HydrophobicContact CE2-CD2 4.27Å; F224-F234 HydrophobicContact CZ-CB 4.21Å; F224-F234 HydrophobicContact CZ-CD2 4.08Å; F234-Q236 HydrophobicContact CD1-CB 4.31Å; F234-Q236 HydrophobicContact CE1-CB 3.59Å; F234-Q236 HydrophobicContact CE1-CG 4.45Å; F234-Q236 HydrophobicContact CZ-CB 3.79Å; F234-Q236 HydrophobicContact CZ-CG 4.17Å; F234-Q236 PolarHBondContact O-N 2.84Å; F234-G237 VanDerWaalsContact CD1-N 3.3Å; F234-G237 PolarHBondContact O-N 2.85Å; F234-T238 VanDerWaalsContact O-CB 3.32Å; F234-T238 WeakPolarHBondContact O-CB 3.17Å; F234-T238 PolarHBondContact O-N 3.45Å; F234-T238 VanDerWaalsContact O-N 3.14Å; F234-T238 PolarHBondContact O-OG1 2.85Å; F234-W298 HydrophobicContact CD1-CD2 4.43Å; F234-W298 HydrophobicContact CD1-CE3 4.01Å; F234-W298 HydrophobicContact CD1-CH2 4.37Å; F234-W298 AromaticContact CD1-CZ3 3.97Å; F234-W298 HydrophobicContact CD1-CZ3 3.97Å; F234-W298 HydrophobicContact CE1-CD2 4.34Å; F234-W298 AromaticContact CE1-CE3 3.94Å; F234-W298 HydrophobicContact CE1-CE3 3.94Å; F234-W298 AromaticContact CE1-CH2 3.49Å; F234-W298 HydrophobicContact CE1-CH2 3.49Å; F234-W298 VanDerWaalsContact CE1-CH2 3.49Å; F234-W298 AromaticContact CE1-CZ2 3.9Å; F234-W298 HydrophobicContact CE1-CZ2 3.9Å; F234-W298 AromaticContact CE1-CZ3 3.49Å; F234-W298 HydrophobicContact CE1-CZ3 3.49Å; F234-W298 VanDerWaalsContact CE1-CZ3 3.49Å; F234-W298 HydrophobicContact CZ-CH2 4.21Å; F234-W298 HydrophobicContact CZ-CZ3 4.4Å; F234-Y302 WeakPolarHBondContact CB-O 3.26Å; F234-Y302 PolarHBondContact N-O 3.28Å; F234-C303 WeakPolarHBondContact CD1-O 3.2Å; F234-L453 HydrophobicContact CD2-CD1 4.24Å; F234-L453 HydrophobicContact CE2-CD1 3.61Å; F234-L453 HydrophobicContact CZ-CD1 4.31Å
235	R	95.1	Very high	78.8	Confident	114 Å²	114	85.2 Å²	85.2	43%	0.43	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-49.3	-169.7	-71.5	-179.7	-176.2	-165.2	-1.1	112.6	S222 Y223 F224 V225 C233 G237	S222-R235 WeakPolarHBondContact O-CD 3.45Å; S222-R235 PolarHBondContact O-NE 2.67Å; S222-R235 PolarHBondContact O-NH1 2.88Å; S222-R235 PolarHBondContact OG-NH2 2.82Å; Y223-R235 WeakPolarHBondContact O-CB 3.37Å; Y223-R235 WeakPolarHBondContact O-CG 3.46Å; Y223-R235 PolarHBondContact O-N 3.24Å; F224-R235 PolarHBondContact O-NE 3.13Å; V225-R235 HydrophobicContact CB-CG 3.87Å; V225-R235 HydrophobicContact CG1-CG 3.79Å; C233-R235 PolarHBondContact O-N 2.87Å; R235-G237 VanDerWaalsContact C-N 3.29Å; R235-G237 PolarHBondContact O-N 3.07Å
236	Q	94.3	Very high	76	Confident	76 Å²	76	92.9 Å²	92.9	36%	0.355	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-28	-176.4	-64.2	176.6	-14.1	0	0	112.4	F234 R295	F234-Q236 HydrophobicContact CD1-CB 4.31Å; F234-Q236 HydrophobicContact CE1-CB 3.59Å; F234-Q236 HydrophobicContact CE1-CG 4.45Å; F234-Q236 HydrophobicContact CZ-CB 3.79Å; F234-Q236 HydrophobicContact CZ-CG 4.17Å; F234-Q236 PolarHBondContact O-N 2.84Å; Q236-R295 VanDerWaalsContact O-CD 3.31Å; Q236-R295 WeakPolarHBondContact O-CD 3.33Å
237	G	94.6	Very high	73.2	Confident	0 Å²	0	88.6 Å²	88.6	0%	0	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0.9	-178.1	0	0	0	0	0	115.4	F234 R235 C294 R295 C303	F234-G237 VanDerWaalsContact CD1-N 3.3Å; F234-G237 PolarHBondContact O-N 2.85Å; R235-G237 VanDerWaalsContact C-N 3.29Å; R235-G237 PolarHBondContact O-N 3.07Å; G237-C294 CarbonylContact O-C 3.5Å; G237-C294 WeakPolarHBondContact O-CA 3.39Å; G237-R295 PolarHBondContact O-N 2.79Å; G237-C303 WeakPolarHBondContact CA-O 3.21Å; G237-C303 WeakPolarHBondContact O-CB 3.34Å
238	T	94.2	Very high	70.6	Confident	3 Å²	3	91.5 Å²	91.5	2%	0.018	50%	0.501	C	S	.	.	B	Isolated β-bridge	trans	-110.7	138.4	-176.7	-53.6	0	0	0	0	111.9	C233 F234 I240 C292 V293 R295	C233-T238 HydrophobicContact CB-CG2 3.91Å; C233-T238 VanDerWaalsContact CB-OG1 3.26Å; C233-T238 WeakPolarHBondContact CB-OG1 3.14Å; F234-T238 VanDerWaalsContact O-CB 3.32Å; F234-T238 WeakPolarHBondContact O-CB 3.17Å; F234-T238 PolarHBondContact O-N 3.45Å; F234-T238 VanDerWaalsContact O-N 3.14Å; F234-T238 PolarHBondContact O-OG1 2.85Å; T238-I240 PolarHBondContact O-N 3.08Å; T238-C292 HydrophobicContact CG2-CB 4.45Å; T238-V293 WeakPolarHBondContact CA-O 3.37Å; T238-V293 WeakPolarHBondContact CG2-O 3.04Å; T238-R295 PolarHBondContact O-NE 3.29Å
239	E	89.2	Confident	68.3	Low	96 Å²	96	90.9 Å²	90.9	45%	0.449	50%	0.503	S	S	.	.			trans	-73.8	110.8	167.8	-67.4	-176.4	-177.6	0	0	109.4	V293 R295	E239-V293 HydrophobicContact CB-CB 4.37Å; E239-V293 HydrophobicContact CB-CG1 4.17Å; E239-V293 HydrophobicContact CG-CG1 4.32Å; E239-V293 PolarHBondContact N-O 2.97Å; E239-V293 WeakPolarHBondContact OE2-CG1 3.26Å; E239-R295 HydrophobicContact CG-CG 3.82Å
240	I	78.4	Confident	65.8	Low	103 Å²	103	87.1 Å²	87.1	53%	0.528	51%	0.513	S	S	.	.			trans	-96.8	107.3	174.2	-57.4	174.5	0	0	0	106.1	T238 E242	T238-I240 PolarHBondContact O-N 3.08Å; I240-E242 PolarHBondContact O-N 2.76Å
241	K	61	Low	63.2	Low	188 Å²	188	89.7 Å²	89.7	82%	0.817	53%	0.53	S	S	*	.			trans	-70.1	111.9	166.5	-71.3	-171.9	178.3	-174.4	0	107.2	S243	K241-S243 VanDerWaalsContact C-N 3.29Å; K241-S243 PolarHBondContact O-N 3.37Å
242	E	45.8	Very low	60.5	Low	188 Å²	188	94.6 Å²	94.6	88%	0.879	57%	0.57	S	S	*	*			trans	-63.6	90.9	171	-73.1	-175	164.4	0	0	109.3	I240 S244	I240-E242 PolarHBondContact O-N 2.76Å; E242-S244 PolarHBondContact O-N 3.2Å
243	S	37.4	Very low	57.4	Low	85 Å²	85	93.8 Å²	93.8	59%	0.594	59%	0.588	S	S	*	*			trans	-79.5	93.5	159.7	56.7	0	0	0	0	107.2	K241 V245	K241-S243 VanDerWaalsContact C-N 3.29Å; K241-S243 PolarHBondContact O-N 3.37Å; S243-V245 PolarHBondContact O-N 3.49Å
244	S	37.8	Very low	54.1	Low	114 Å²	114	101.2 Å²	101.2	80%	0.797	63%	0.628	S	S	*	*			trans	24.8	81	157.1	58.1	0	0	0	0	115.6	E242	E242-S244 PolarHBondContact O-N 3.2Å
245	V	33.3	Very low	50.8	Low	130 Å²	130	108.2 Å²	108.2	79%	0.788	67%	0.671	S	S	*	*			trans	-105.9	94.7	156.6	-178.7	0	0	0	0	106.5	S243	S243-V245 PolarHBondContact O-N 3.49Å
246	K	35.5	Very low	47.6	Very low	206 Å²	206	110.4 Å²	110.4	90%	0.896	69%	0.69	S	S	*	*			trans	-74.6	141.6	158.9	-86.8	-177.1	172.9	-179.2	0	108.1
247	A	32.4	Very low	44.4	Very low	94 Å²	94	113.9 Å²	113.9	78%	0.777	71%	0.711	S	S	*	*			trans	79.8	115.8	-178.7	0	0	0	0	0	114.1
248	A	32	Very low	41.2	Very low	105 Å²	105	120.9 Å²	120.9	87%	0.868	75%	0.754	S	S	*	*			cis	-144	114.6	20.7	0	0	0	0	0	111.1
249	A	32.3	Very low	38	Very low	109 Å²	109	128.1 Å²	128.1	90%	0.901	79%	0.792	S	S	*	*			trans	-132.2	104.8	154.4	0	0	0	0	0	105.9
250	G	28.6	Very low	35	Very low	78 Å²	78	133.5 Å²	133.5	80%	0.804	81%	0.814	S	S	*	*			trans	-96.4	118.3	165.2	0	0	0	0	0	108.8
251	A	29.7	Very low	32.5	Very low	99 Å²	99	133.2 Å²	133.2	82%	0.818	83%	0.827	S	S	*	*			trans	66.3	102	165.4	0	0	0	0	0	116.9
252	A	33.6	Very low	30.9	Very low	111 Å²	111	128.7 Å²	128.7	92%	0.917	83%	0.825	S	S	*	*				66.8	134.1	57.1	0	0	0	0	0	113.1
253	G	27.7	Very low	30.1	Very low	69 Å²	69	129.5 Å²	129.5	71%	0.711	83%	0.829	S	S	*	*			cis	-154.3	-171.9	4.6	0	0	0	0	0	108
254	D	26.1	Very low	29.8	Very low	156 Å²	156	136.5 Å²	136.5	83%	0.834	84%	0.842	S	S	*	*			cis	-154.9	139.7	14.7	-93.1	-28.3	0	0	0	107.5
255	V	28.6	Very low	29.6	Very low	149 Å²	149	140.7 Å²	140.7	90%	0.903	85%	0.846	S	S	*	*			trans	-133.2	120.8	155.2	178	0	0	0	0	107.4
256	L	27.6	Very low	29.5	Very low	160 Å²	160	140.4 Å²	140.4	84%	0.838	85%	0.847	S	S	*	*			trans	-73.8	144.1	-179.8	-73.9	161.1	0	0	0	112
257	D	25.6	Very low	29.2	Very low	148 Å²	148	138.9 Å²	138.9	79%	0.791	85%	0.848	S	S	*	*			trans	-37.4	134.5	171.2	-81.5	-57.1	0	0	0	116.2
258	V	28.1	Very low	29	Very low	148 Å²	148	138.1 Å²	138.1	90%	0.897	85%	0.848	S	S	*	*			trans	-145.8	96.7	137.8	-173.3	0	0	0	0	108.9
259	D	27	Very low	28.7	Very low	154 Å²	154	141.2 Å²	141.2	82%	0.824	85%	0.849	S	S	*	*			trans	-134.7	111.5	167.5	-131	-7.4	0	0	0	109.4
260	K	27.1	Very low	28.4	Very low	209 Å²	209	144.9 Å²	144.9	91%	0.909	85%	0.848	S	S	*	*			trans	-174.1	105.9	156.3	-107.9	174.1	-170.5	177.7	0	110.4
261	A	25.8	Very low	28.4	Very low	98 Å²	98	150 Å²	150	81%	0.81	85%	0.851	S	S	*	*				-175.4	137.3	126.6	0	0	0	0	0	113
262	A	27.1	Very low	28.3	Very low	93 Å²	93	153.7 Å²	153.7	77%	0.769	85%	0.851	S	S	*	*			trans	80.9	70	155.1	0	0	0	0	0	119.2	R264	A262-R264 PolarHBondContact O-N 2.88Å
263	Q	29.4	Very low	28.1	Very low	204 Å²	204	154.2 Å²	154.2	95%	0.953	85%	0.845	S	S	*	*			trans	-71.8	114.8	144.1	-72.8	-175.1	-1.5	0	0	109.5
264	R	30.2	Very low	28	Very low	232 Å²	232	154.6 Å²	154.6	88%	0.875	85%	0.849	S	S	*	*			trans	-119.4	118.2	159.5	-79.7	-175.8	175.3	173.7	-0.7	108.6	A262	A262-R264 PolarHBondContact O-N 2.88Å
265	K	33.1	Very low	28.1	Very low	203 Å²	203	156.7 Å²	156.7	88%	0.883	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-63	134.9	168.5	-78	176.5	173.8	176	0	109.9
266	P	32.8	Very low	28.1	Very low	124 Å²	124	156.4 Å²	156.4	81%	0.805	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-88.8	135.6	157.5	-5.1	23.9	0	0	0	110.6
267	L	27.6	Very low	28.2	Very low	174 Å²	174	159 Å²	159	91%	0.911	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-57.1	139.8	168.7	-77.8	123.7	0	0	0	111.2
268	G	28	Very low	28.4	Very low	77 Å²	77	155.5 Å²	155.5	79%	0.794	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-67.3	129.7	176.8	0	0	0	0	0	112.2
269	L	26.2	Very low	28.5	Very low	170 Å²	170	159.2 Å²	159.2	89%	0.89	86%	0.858	S	S	*	*			trans	-105.7	114.3	154.6	-127.5	89.5	0	0	0	108	Q271	L269-Q271 PolarHBondContact O-N 2.78Å
270	Q	27	Very low	28.7	Very low	187 Å²	187	155.5 Å²	155.5	87%	0.874	86%	0.855	S	S	*	*			trans	-80.5	106.7	-177	-163.3	166.4	18.3	0	0	108.7
271	Q	29	Very low	28.9	Very low	184 Å²	184	154.8 Å²	154.8	86%	0.86	86%	0.855	S	S	*	*			trans	-96.6	115.8	163.9	-92.4	179.6	6.8	0	0	109.3	L269	L269-Q271 PolarHBondContact O-N 2.78Å
272	Q	26.1	Very low	29.7	Very low	178 Å²	178	155.5 Å²	155.5	83%	0.832	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-71.7	140.5	175.2	-63.7	-167.4	6.7	0	0	111.2
273	P	29.9	Very low	30.1	Very low	122 Å²	122	159.9 Å²	159.9	79%	0.792	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-86.5	125.9	166.4	30.7	-26.6	0	0	0	110.8
274	G	26.2	Very low	30.3	Very low	77 Å²	77	153.6 Å²	153.6	79%	0.794	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-64.3	130.6	172	0	0	0	0	0	112
275	K	27.6	Very low	30.8	Very low	199 Å²	199	148.4 Å²	148.4	87%	0.865	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-77.8	120.7	173.6	-75.2	174.1	176.4	169.8	0	110.3
276	T	29.7	Very low	31	Very low	143 Å²	143	142 Å²	142	88%	0.877	84%	0.842	S	S	*	*			trans	-122.9	116	152.4	32.1	0	0	0	0	108.7
277	K	29	Very low	31.7	Very low	214 Å²	214	145.8 Å²	145.8	93%	0.93	85%	0.846	S	S	*	*			trans	-80.5	113.5	174.6	-76.8	-179.4	174.5	178	0	108.6
278	G	29.5	Very low	32.8	Very low	76 Å²	76	144.9 Å²	144.9	78%	0.784	84%	0.837	S	S	*	*			trans	-123.3	116.2	160.3	0	0	0	0	0	108.6	G280	G278-G280 PolarHBondContact O-N 3.39Å
279	K	30.8	Very low	34.2	Very low	226 Å²	226	147.9 Å²	147.9	98%	0.983	83%	0.834	S	S	*	*			trans	-73.1	120.2	174.5	-79.4	-178.3	174.3	-180	0	109.1
280	G	30.1	Very low	36.2	Very low	75 Å²	75	142.2 Å²	142.2	77%	0.773	81%	0.806	S	S	*	*			trans	-161.8	110.8	164.5	0	0	0	0	0	108.5	G278	G278-G280 PolarHBondContact O-N 3.39Å
281	Q	32	Very low	39	Very low	195 Å²	195	140.8 Å²	140.8	91%	0.911	80%	0.797	S	S	*	*			trans	-102.6	163.1	174.6	-114.8	-172.2	0.6	0	0	109.1
282	P	42.9	Very low	42	Very low	112 Å²	112	132.9 Å²	132.9	73%	0.727	76%	0.762	S	S	*	*				-113.1	139.2	-109.4	34.9	-22.5	0	0	0	111.8
283	L	35.7	Very low	45.1	Very low	185 Å²	185	128.5 Å²	128.5	97%	0.969	75%	0.747	S	S	*	*			trans	-127.9	124.2	165.4	-114.7	87.4	0	0	0	110
284	G	33.4	Very low	48.3	Very low	72 Å²	72	124.6 Å²	124.6	74%	0.742	72%	0.723	S	S	*	*			trans	113.5	103.1	173.3	0	0	0	0	0	112.3	G286	G284-G286 PolarHBondContact O-N 2.93Å
285	S	39.9	Very low	51.6	Low	123 Å²	123	126.5 Å²	126.5	86%	0.86	71%	0.706	S	S	*	*			trans	-57.9	85.1	161.7	57.4	0	0	0	0	109.2	K287	S285-K287 PolarHBondContact O-N 3.3Å
286	G	38.5	Very low	54.9	Low	69 Å²	69	122.8 Å²	122.8	71%	0.711	70%	0.702	S	S	*	*			trans	-63.3	105.1	171.8	0	0	0	0	0	107.7	G284 Q288	G284-G286 PolarHBondContact O-N 2.93Å; G286-Q288 PolarHBondContact O-N 2.77Å
287	K	47.3	Very low	58	Low	204 Å²	204	117.5 Å²	117.5	89%	0.887	68%	0.676	S	S	*	*			trans	-49.8	108.7	165.1	-73.3	178.4	178.9	176	0	106.2	S285 L289	S285-K287 PolarHBondContact O-N 3.3Å; K287-L289 PolarHBondContact O-N 3.4Å
288	Q	49	Very low	61.2	Low	155 Å²	155	109 Å²	109	72%	0.724	64%	0.638	S	S	*	*			trans	-57.4	109.2	-180	-170.2	162.3	12.7	0	0	106.9	G286 V290	G286-Q288 PolarHBondContact O-N 2.77Å; Q288-V290 VanDerWaalsContact O-CG2 3.31Å; Q288-V290 WeakPolarHBondContact O-CG2 3.14Å; Q288-V290 PolarHBondContact O-N 3.25Å
289	L	57.8	Low	64.4	Low	140 Å²	140	107.6 Å²	107.6	73%	0.733	61%	0.611	S	S	*	*			trans	-60.7	106.6	-172.5	-140.6	104.2	0	0	0	107	K287 K291	K287-L289 PolarHBondContact O-N 3.4Å; L289-K291 HydrophobicContact CD2-CG 4.39Å; L289-K291 PolarHBondContact O-N 3.13Å
290	V	69.4	Low	67.4	Low	50 Å²	50	98.6 Å²	98.6	30%	0.303	58%	0.582	S	S	.	*			trans	-74	107.9	-178.1	-175.1	0	0	0	0	106.5	R229 A231 Q288	R229-V290 HydrophobicContact CB-CB 4.25Å; R229-V290 HydrophobicContact CB-CG1 3.21Å; R229-V290 HydrophobicContact CB-CG2 4.11Å; R229-V290 HydrophobicContact CG-CG1 4.37Å; R229-V290 WeakPolarHBondContact O-CB 3.37Å; R229-V290 WeakPolarHBondContact O-CG1 3.49Å; R229-V290 WeakPolarHBondContact O-CG2 3.27Å; A231-V290 HydrophobicContact CB-CB 4.19Å; A231-V290 HydrophobicContact CB-CG1 3.66Å; A231-V290 WeakPolarHBondContact CB-O 3.47Å; Q288-V290 VanDerWaalsContact O-CG2 3.31Å; Q288-V290 WeakPolarHBondContact O-CG2 3.14Å; Q288-V290 PolarHBondContact O-N 3.25Å
291	K	84.2	Confident	70.5	Confident	157 Å²	157	99.5 Å²	99.5	68%	0.683	58%	0.575	S	S	*	*			trans	-98.1	144.5	179.8	-67.2	-177.1	-179.7	-176.5	0	109.8	L289	L289-K291 HydrophobicContact CD2-CG 4.39Å; L289-K291 PolarHBondContact O-N 3.13Å
292	C	91.9	Very high	73.5	Confident	19 Å²	19	93.8 Å²	93.8	13%	0.128	55%	0.545	C	S	.	.			trans	-65	144.9	168.6	-54.6	0	0	0	0	109.6	Y232 C233 T238 P301 C303	Y232-C292 PolarHBondContact O-SG 3.26Å; Y232-C292 VanDerWaalsContact O-SG 3.36Å; C233-C292 WeakPolarHBondContact CA-SG 3.41Å; C233-C292 HydrophobicContact CB-CB 3.81Å; C233-C292 WeakPolarHBondContact CB-SG 3.25Å; C233-C292 WeakPolarHBondContact SG-CB 3.41Å; C233-C292 CovalentContact SG-SG 2.02Å; C233-C292 PolarHBondContact SG-SG 3.03Å; T238-C292 HydrophobicContact CG2-CB 4.45Å; C292-P301 PolarHBondContact SG-O 3.15Å; C292-P301 VanDerWaalsContact SG-O 3.34Å; C292-C303 HydrophobicContact CB-CB 4.31Å; C292-C303 WeakPolarHBondContact CB-SG 3.3Å
293	V	93.3	Very high	76	Confident	85 Å²	85	88.5 Å²	88.5	52%	0.515	51%	0.511	S	S	.	.			trans	-98.9	110.7	171.6	-178.3	0	0	0	0	107.1	T238 E239	T238-V293 WeakPolarHBondContact CA-O 3.37Å; T238-V293 WeakPolarHBondContact CG2-O 3.04Å; E239-V293 HydrophobicContact CB-CB 4.37Å; E239-V293 HydrophobicContact CB-CG1 4.17Å; E239-V293 HydrophobicContact CG-CG1 4.32Å; E239-V293 PolarHBondContact N-O 2.97Å; E239-V293 WeakPolarHBondContact OE2-CG1 3.26Å
294	C	95.5	Very high	78.9	Confident	41 Å²	41	79.8 Å²	79.8	28%	0.277	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-82.9	137.6	-172.3	-51.5	0	0	0	0	111.3	G237 W298 C303	G237-C294 CarbonylContact O-C 3.5Å; G237-C294 WeakPolarHBondContact O-CA 3.39Å; C294-W298 HydrophobicContact CB-CB 4.38Å; C294-W298 WeakPolarHBondContact CB-O 3.33Å; C294-C303 WeakPolarHBondContact CA-SG 3.42Å; C294-C303 HydrophobicContact CB-CB 3.68Å; C294-C303 WeakPolarHBondContact CB-SG 3.3Å; C294-C303 PolarHBondContact N-SG 3.24Å; C294-C303 WeakPolarHBondContact SG-CA 3.15Å; C294-C303 WeakPolarHBondContact SG-CB 3.09Å; C294-C303 CovalentContact SG-SG 2.04Å; C294-C303 PolarHBondContact SG-SG 3.05Å
295	R	96.4	Very high	82	Confident	116 Å²	116	77 Å²	77	44%	0.438	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-64.7	154.5	167.7	-66.9	-175	-172.2	-165.3	-9	109.8	Q236 G237 T238 E239 G297 W298	Q236-R295 VanDerWaalsContact O-CD 3.31Å; Q236-R295 WeakPolarHBondContact O-CD 3.33Å; G237-R295 PolarHBondContact O-N 2.79Å; T238-R295 PolarHBondContact O-NE 3.29Å; E239-R295 HydrophobicContact CG-CG 3.82Å; R295-G297 PolarHBondContact O-N 3.31Å; R295-W298 PolarHBondContact O-N 3.23Å; R295-W298 VanDerWaalsContact O-N 3.08Å
296	P	95.7	Very high	84.7	Confident	122 Å²	122	71.3 Å²	71.3	79%	0.792	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	133.9	169.5	-25.5	34.5	0	0	0	110.9
297	G	95	Very high	87.5	Confident	32 Å²	32	69.8 Å²	69.8	33%	0.33	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	96	-11.5	-176.5	0	0	0	0	0	115.3	R295 P306 T307	R295-G297 PolarHBondContact O-N 3.31Å; G297-P306 CarbonylContact O-C 3.33Å; G297-P306 WeakPolarHBondContact O-CA 3.45Å; G297-T307 VanDerWaalsContact CA-OG1 3.25Å; G297-T307 WeakPolarHBondContact CA-OG1 3.18Å; G297-T307 PolarHBondContact O-N 3.15Å; G297-T307 PolarHBondContact O-OG1 2.97Å; G297-T307 VanDerWaalsContact O-OG1 3.09Å
298	W	97.4	Very high	89.9	Confident	36 Å²	36	60.9 Å²	60.9	14%	0.136	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.3	-176.2	-62.5	92	0	0	0	112.4	F234 C294 R295 V305 P306 E446	F234-W298 HydrophobicContact CD1-CD2 4.43Å; F234-W298 HydrophobicContact CD1-CE3 4.01Å; F234-W298 HydrophobicContact CD1-CH2 4.37Å; F234-W298 AromaticContact CD1-CZ3 3.97Å; F234-W298 HydrophobicContact CD1-CZ3 3.97Å; F234-W298 HydrophobicContact CE1-CD2 4.34Å; F234-W298 AromaticContact CE1-CE3 3.94Å; F234-W298 HydrophobicContact CE1-CE3 3.94Å; F234-W298 AromaticContact CE1-CH2 3.49Å; F234-W298 HydrophobicContact CE1-CH2 3.49Å; F234-W298 VanDerWaalsContact CE1-CH2 3.49Å; F234-W298 AromaticContact CE1-CZ2 3.9Å; F234-W298 HydrophobicContact CE1-CZ2 3.9Å; F234-W298 AromaticContact CE1-CZ3 3.49Å; F234-W298 HydrophobicContact CE1-CZ3 3.49Å; F234-W298 VanDerWaalsContact CE1-CZ3 3.49Å; F234-W298 HydrophobicContact CZ-CH2 4.21Å; F234-W298 HydrophobicContact CZ-CZ3 4.4Å; C294-W298 HydrophobicContact CB-CB 4.38Å; C294-W298 WeakPolarHBondContact CB-O 3.33Å; R295-W298 PolarHBondContact O-N 3.23Å; R295-W298 VanDerWaalsContact O-N 3.08Å; W298-V305 CarbonylContact C-O 3.41Å; W298-P306 HydrophobicContact CE3-CB 4.28Å; W298-P306 HydrophobicContact CH2-CB 4.35Å; W298-P306 HydrophobicContact CZ3-CB 3.98Å; W298-P306 HydrophobicContact CZ3-CG 4.39Å; W298-E446 HydrophobicContact CH2-CB 4.21Å; W298-E446 HydrophobicContact CH2-CG 4.06Å; W298-E446 HydrophobicContact CZ2-CG 4.05Å
299	H	96.7	Very high	92.2	Very high	46 Å²	46	53.5 Å²	53.5	21%	0.213	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	170.4	-168.7	-54.7	-89.7	0	0	0	112.4	C303 G304 V305 T307 Y310	H299-C303 WeakPolarHBondContact O-CA 2.96Å; H299-G304 PolarHBondContact O-N 3.16Å; H299-V305 HydrophobicContact CB-CB 4.38Å; H299-V305 WeakPolarHBondContact CB-O 3.44Å; H299-V305 PolarHBondContact CD2-O 2.9Å; H299-V305 PolarHBondContact N-O 3.48Å; H299-V305 PolarHBondContact O-N 3.33Å; H299-T307 WeakPolarHBondContact NE2-CA 3.36Å; H299-T307 PolarHBondContact NE2-OG1 3.06Å; H299-Y310 HydrophobicContact CB-CD2 3.66Å; H299-Y310 HydrophobicContact CB-CE2 4.26Å; H299-Y310 HydrophobicContact CB-CG 3.94Å; H299-Y310 AromaticContact CG-CD2 3.91Å; H299-Y310 AromaticContact CG-CG 3.69Å; H299-Y310 AromaticContact ND1-CD1 3.95Å; H299-Y310 AromaticContact ND1-CG 3.97Å
300	G	94.1	Very high	94.1	Very high	36 Å²	36	52.3 Å²	52.3	37%	0.371	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	173.1	175.6	0	0	0	0	0	113.9	Y302 C303	G300-Y302 PolarHBondContact O-N 3.16Å; G300-Y302 VanDerWaalsContact O-N 3.15Å; G300-C303 PolarHBondContact O-N 3.36Å; G300-C303 VanDerWaalsContact O-N 3.14Å
301	P	93.7	Very high	95.4	Very high	95 Å²	95	53.9 Å²	53.9	62%	0.617	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.8	-172.9	24	-32.7	0	0	0	113.9	C292	C292-P301 PolarHBondContact SG-O 3.15Å; C292-P301 VanDerWaalsContact SG-O 3.34Å
302	Y	95.1	Very high	96	Very high	75 Å²	75	46.9 Å²	46.9	29%	0.294	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	0.7	-179.5	-50	-74.9	0	0	0	113.1	Y232 F234 G300 G304 P322 F454	Y232-Y302 HydrophobicContact CD1-CD1 4.41Å; Y232-Y302 WeakPolarHBondContact O-CD1 3.35Å; F234-Y302 WeakPolarHBondContact CB-O 3.26Å; F234-Y302 PolarHBondContact N-O 3.28Å; G300-Y302 PolarHBondContact O-N 3.16Å; G300-Y302 VanDerWaalsContact O-N 3.15Å; Y302-G304 PolarHBondContact O-N 3.41Å; Y302-P322 HydrophobicContact CD1-CG 3.86Å; Y302-P322 HydrophobicContact CD2-CG 3.56Å; Y302-P322 HydrophobicContact CE1-CG 4.26Å; Y302-P322 HydrophobicContact CE2-CG 3.99Å; Y302-P322 HydrophobicContact CG-CG 3.49Å; Y302-P322 VanDerWaalsContact CG-CG 3.49Å; Y302-F454 HydrophobicContact CD2-CE1 4.32Å
303	C	96.3	Very high	96.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	32.6	-173.7	-55.9	0	0	0	0	115.1	F234 G237 C292 C294 H299 G300	F234-C303 WeakPolarHBondContact CD1-O 3.2Å; G237-C303 WeakPolarHBondContact CA-O 3.21Å; G237-C303 WeakPolarHBondContact O-CB 3.34Å; C292-C303 HydrophobicContact CB-CB 4.31Å; C292-C303 WeakPolarHBondContact CB-SG 3.3Å; C294-C303 WeakPolarHBondContact CA-SG 3.42Å; C294-C303 HydrophobicContact CB-CB 3.68Å; C294-C303 WeakPolarHBondContact CB-SG 3.3Å; C294-C303 PolarHBondContact N-SG 3.24Å; C294-C303 WeakPolarHBondContact SG-CA 3.15Å; C294-C303 WeakPolarHBondContact SG-CB 3.09Å; C294-C303 CovalentContact SG-SG 2.04Å; C294-C303 PolarHBondContact SG-SG 3.05Å; H299-C303 WeakPolarHBondContact O-CA 2.96Å; G300-C303 PolarHBondContact O-N 3.36Å; G300-C303 VanDerWaalsContact O-N 3.14Å
304	G	96.2	Very high	96.5	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.031	25%	0.253	C	S	.	.			trans	-115.2	3.7	-178.1	0	0	0	0	0	114.8	H299 Y302 F454	H299-G304 PolarHBondContact O-N 3.16Å; Y302-G304 PolarHBondContact O-N 3.41Å; G304-F454 VanDerWaalsContact O-CE2 3.25Å; G304-F454 WeakPolarHBondContact O-CE2 3.39Å
305	V	98	Very high	96.4	Very high	13 Å²	13	47.9 Å²	47.9	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.2	175.7	-176.9	0	0	0	0	108.6	W298 H299 V309 L320 F450	W298-V305 CarbonylContact C-O 3.41Å; H299-V305 HydrophobicContact CB-CB 4.38Å; H299-V305 WeakPolarHBondContact CB-O 3.44Å; H299-V305 PolarHBondContact CD2-O 2.9Å; H299-V305 PolarHBondContact N-O 3.48Å; H299-V305 PolarHBondContact O-N 3.33Å; V305-V309 HydrophobicContact CG1-CB 3.91Å; V305-V309 HydrophobicContact CG1-CG1 3.73Å; V305-L320 HydrophobicContact CG2-CD1 4Å; V305-F450 HydrophobicContact CG2-CE2 4.19Å
306	P	97.8	Very high	96.3	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.019	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	155.5	179.7	30	-35.1	0	0	0	111.6	G297 W298 M308 V309 Y310 E446 F450	G297-P306 CarbonylContact O-C 3.33Å; G297-P306 WeakPolarHBondContact O-CA 3.45Å; W298-P306 HydrophobicContact CE3-CB 4.28Å; W298-P306 HydrophobicContact CH2-CB 4.35Å; W298-P306 HydrophobicContact CZ3-CB 3.98Å; W298-P306 HydrophobicContact CZ3-CG 4.39Å; P306-M308 HydrophobicContact CB-CG 4.24Å; P306-M308 HydrophobicContact CG-CG 4.11Å; P306-M308 PolarHBondContact O-N 2.87Å; P306-M308 VanDerWaalsContact O-N 3.14Å; P306-V309 HydrophobicContact CG-CB 4.09Å; P306-V309 HydrophobicContact CG-CG2 3.74Å; P306-V309 PolarHBondContact O-N 2.87Å; P306-Y310 PolarHBondContact O-N 3.09Å; P306-E446 HydrophobicContact CB-CB 3.93Å; P306-E446 HydrophobicContact CG-CB 4.2Å; P306-F450 HydrophobicContact CG-CB 4.2Å
307	T	97.2	Very high	96.2	Very high	38 Å²	38	40.9 Å²	40.9	23%	0.233	23%	0.225	C	C	.	.	H	α-helix	trans	-48.6	-43.1	-178.9	-65.4	0	0	0	0	113	G297 H299 V309 Y310 H311	G297-T307 VanDerWaalsContact CA-OG1 3.25Å; G297-T307 WeakPolarHBondContact CA-OG1 3.18Å; G297-T307 PolarHBondContact O-N 3.15Å; G297-T307 PolarHBondContact O-OG1 2.97Å; G297-T307 VanDerWaalsContact O-OG1 3.09Å; H299-T307 WeakPolarHBondContact NE2-CA 3.36Å; H299-T307 PolarHBondContact NE2-OG1 3.06Å; T307-V309 VanDerWaalsContact C-N 3.3Å; T307-V309 PolarHBondContact O-N 3.02Å; T307-Y310 PolarHBondContact O-N 3.43Å; T307-H311 PolarHBondContact O-CD2 3.43Å; T307-H311 VanDerWaalsContact O-CD2 3.32Å; T307-H311 PolarHBondContact O-N 2.7Å
308	M	97.1	Very high	95.9	Very high	16 Å²	16	47.1 Å²	47.1	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-36.6	177.9	65.2	-162.6	61.4	0	0	113.3	P306 S312 A444 E446 V529 G530 H534 A536	P306-M308 HydrophobicContact CB-CG 4.24Å; P306-M308 HydrophobicContact CG-CG 4.11Å; P306-M308 PolarHBondContact O-N 2.87Å; P306-M308 VanDerWaalsContact O-N 3.14Å; M308-S312 PolarHBondContact O-N 2.58Å; M308-A444 HydrophobicContact CE-CB 4.23Å; M308-A444 HydrophobicContact SD-CB 4.06Å; M308-E446 HydrophobicContact CE-CB 4.29Å; M308-E446 HydrophobicContact SD-CB 4.38Å; M308-V529 HydrophobicContact CG-CG1 4.5Å; M308-G530 WeakPolarHBondContact O-CA 3.39Å; M308-G530 PolarHBondContact O-N 3.26Å; M308-H534 HydrophobicContact CB-CB 4.44Å; M308-A536 HydrophobicContact CB-CB 4.29Å; M308-A536 HydrophobicContact CG-CB 4.24Å; M308-A536 HydrophobicContact SD-CB 3.81Å
309	V	98	Very high	95.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-79.2	-39.3	175.8	174.8	0	0	0	0	110.7	V305 P306 T307 H311 S312 L314 F450 W527 V529	V305-V309 HydrophobicContact CG1-CB 3.91Å; V305-V309 HydrophobicContact CG1-CG1 3.73Å; P306-V309 HydrophobicContact CG-CB 4.09Å; P306-V309 HydrophobicContact CG-CG2 3.74Å; P306-V309 PolarHBondContact O-N 2.87Å; T307-V309 VanDerWaalsContact C-N 3.3Å; T307-V309 PolarHBondContact O-N 3.02Å; V309-H311 VanDerWaalsContact C-N 3.27Å; V309-H311 PolarHBondContact O-N 3.31Å; V309-S312 VanDerWaalsContact O-CB 3.27Å; V309-S312 WeakPolarHBondContact O-CB 3.24Å; V309-S312 PolarHBondContact O-N 2.85Å; V309-S312 VanDerWaalsContact O-N 3.1Å; V309-S312 PolarHBondContact O-OG 3.47Å; V309-L314 HydrophobicContact CG1-CD2 4.23Å; V309-F450 HydrophobicContact CB-CD1 4.42Å; V309-F450 HydrophobicContact CB-CG 4.47Å; V309-F450 HydrophobicContact CG1-CD1 3.93Å; V309-F450 HydrophobicContact CG1-CD2 4.23Å; V309-F450 HydrophobicContact CG1-CE1 3.66Å; V309-F450 HydrophobicContact CG1-CE2 3.97Å; V309-F450 HydrophobicContact CG1-CG 4.21Å; V309-F450 HydrophobicContact CG1-CZ 3.67Å; V309-F450 HydrophobicContact CG2-CB 4.23Å; V309-F450 HydrophobicContact CG2-CD1 3.69Å; V309-F450 HydrophobicContact CG2-CE1 4.23Å; V309-F450 HydrophobicContact CG2-CG 3.87Å; V309-W527 HydrophobicContact CG1-CH2 4.47Å; V309-W527 HydrophobicContact CG1-CZ3 4.35Å; V309-V529 HydrophobicContact CG2-CG1 3.91Å
310	Y	97.4	Very high	95.7	Very high	116 Å²	116	52.9 Å²	52.9	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-57.7	-42.2	177.8	-176.3	-101.7	0	0	0	111.8	H299 P306 T307 K317	H299-Y310 HydrophobicContact CB-CD2 3.66Å; H299-Y310 HydrophobicContact CB-CE2 4.26Å; H299-Y310 HydrophobicContact CB-CG 3.94Å; H299-Y310 AromaticContact CG-CD2 3.91Å; H299-Y310 AromaticContact CG-CG 3.69Å; H299-Y310 AromaticContact ND1-CD1 3.95Å; H299-Y310 AromaticContact ND1-CG 3.97Å; P306-Y310 PolarHBondContact O-N 3.09Å; T307-Y310 PolarHBondContact O-N 3.43Å; Y310-K317 WeakPolarHBondContact O-CE 3.45Å; Y310-K317 PolarHBondContact O-NZ 3.04Å
311	H	96.6	Very high	95.8	Very high	82 Å²	82	54.2 Å²	54.2	38%	0.38	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	14.9	177.2	-65.4	-73.5	0	0	0	114.8	T307 V309 S531 H534	T307-H311 PolarHBondContact O-CD2 3.43Å; T307-H311 VanDerWaalsContact O-CD2 3.32Å; T307-H311 PolarHBondContact O-N 2.7Å; V309-H311 VanDerWaalsContact C-N 3.27Å; V309-H311 PolarHBondContact O-N 3.31Å; H311-S531 WeakPolarHBondContact O-CB 3.39Å; H311-S531 PolarHBondContact O-OG 3.11Å; H311-H534 HydrophobicContact CB-CB 4.4Å; H311-H534 WeakPolarHBondContact CB-ND1 3.47Å; H311-H534 AromaticContact CD2-CD2 3.86Å; H311-H534 AromaticContact CD2-CE1 3.59Å; H311-H534 AromaticContact CD2-NE2 3.46Å; H311-H534 PolarHBondContact CD2-NE2 3.32Å; H311-H534 AromaticContact CG-CE1 3.48Å; H311-H534 VanDerWaalsContact CG-CE1 3.48Å; H311-H534 AromaticContact CG-ND1 3.72Å; H311-H534 AromaticContact CG-NE2 3.86Å; H311-H534 AromaticContact ND1-CE1 3.99Å; H311-H534 AromaticContact NE2-NE2 3.95Å
312	S	97.5	Very high	96	Very high	11 Å²	11	50.8 Å²	50.8	8%	0.077	25%	0.246	C	C	.	.	S	Bend	trans	-76.5	-177.5	175.6	67.5	0	0	0	0	113.3	M308 V309 L314 K317 S528 G530	M308-S312 PolarHBondContact O-N 2.58Å; V309-S312 VanDerWaalsContact O-CB 3.27Å; V309-S312 WeakPolarHBondContact O-CB 3.24Å; V309-S312 PolarHBondContact O-N 2.85Å; V309-S312 VanDerWaalsContact O-N 3.1Å; V309-S312 PolarHBondContact O-OG 3.47Å; S312-L314 VanDerWaalsContact OG-CB 3.29Å; S312-L314 WeakPolarHBondContact OG-CB 3.5Å; S312-L314 PolarHBondContact OG-N 3.13Å; S312-K317 WeakPolarHBondContact O-CE 3.44Å; S312-K317 PolarHBondContact O-NZ 3.24Å; S312-K317 WeakPolarHBondContact OG-CE 3.32Å; S312-S528 WeakPolarHBondContact CB-O 2.74Å; S312-G530 WeakPolarHBondContact CA-O 3.36Å
313	N	96.9	Very high	96	Very high	87 Å²	87	49 Å²	49	47%	0.465	24%	0.238	S	C	.	.			trans	-91.2	13.5	168.3	62.9	-3.3	0	0	0	113.7	P315 W527 S528	N313-P315 VanDerWaalsContact O-CD 3.26Å; N313-P315 WeakPolarHBondContact O-CD 3.43Å; N313-W527 WeakPolarHBondContact OD1-CA 3.24Å; N313-W527 WeakPolarHBondContact OD1-CB 3.39Å; N313-S528 PolarHBondContact OD1-N 3.35Å
314	L	97.1	Very high	95.8	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.031	28%	0.281	C	S	.	.			trans	-55.7	118	178.2	179.1	55.5	0	0	0	111.6	V309 S312 T316 K317 L320 F450 W457 T458 W527	V309-L314 HydrophobicContact CG1-CD2 4.23Å; S312-L314 VanDerWaalsContact OG-CB 3.29Å; S312-L314 WeakPolarHBondContact OG-CB 3.5Å; S312-L314 PolarHBondContact OG-N 3.13Å; L314-T316 VanDerWaalsContact C-N 3.28Å; L314-T316 WeakPolarHBondContact CD1-OG1 3.44Å; L314-T316 PolarHBondContact O-N 2.84Å; L314-K317 HydrophobicContact CB-CG 3.92Å; L314-K317 HydrophobicContact CD2-CG 4.07Å; L314-K317 HydrophobicContact CG-CG 4Å; L314-K317 VanDerWaalsContact O-CE 3.31Å; L314-K317 WeakPolarHBondContact O-CE 3.44Å; L314-K317 WeakPolarHBondContact O-CG 3.09Å; L314-L320 HydrophobicContact CD2-CD1 4.09Å; L314-L320 HydrophobicContact CD2-CD2 4.17Å; L314-F450 HydrophobicContact CD2-CE1 4.43Å; L314-F450 HydrophobicContact CD2-CZ 4.16Å; L314-W457 HydrophobicContact CD1-CB 4.02Å; L314-W457 HydrophobicContact CD2-CB 4.3Å; L314-T458 HydrophobicContact CD1-CG2 4.06Å; L314-W527 HydrophobicContact CB-CD2 4.03Å; L314-W527 HydrophobicContact CB-CE3 3.56Å; L314-W527 HydrophobicContact CB-CZ3 3.95Å; L314-W527 HydrophobicContact CD1-CD2 3.68Å; L314-W527 HydrophobicContact CD1-CE3 4.05Å; L314-W527 HydrophobicContact CD1-CG 3.93Å; L314-W527 HydrophobicContact CD1-CZ2 4.28Å; L314-W527 HydrophobicContact CD1-CZ3 4.49Å; L314-W527 HydrophobicContact CD2-CE3 4.37Å; L314-W527 HydrophobicContact CD2-CH2 4.13Å; L314-W527 HydrophobicContact CD2-CZ2 4.46Å; L314-W527 HydrophobicContact CD2-CZ3 4.08Å; L314-W527 HydrophobicContact CG-CD2 4.33Å; L314-W527 HydrophobicContact CG-CE3 4.2Å; L314-W527 HydrophobicContact CG-CZ3 4.4Å
315	P	94.7	Very high	95.8	Very high	72 Å²	72	62 Å²	62	47%	0.468	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-11	-176	26.4	-36.6	0	0	0	115.2	N313 T458 V525	N313-P315 VanDerWaalsContact O-CD 3.26Å; N313-P315 WeakPolarHBondContact O-CD 3.43Å; P315-T458 HydrophobicContact CG-CG2 3.86Å; P315-V525 HydrophobicContact CG-CB 4.4Å
316	T	94	Very high	95.8	Very high	31 Å²	31	62.1 Å²	62.1	19%	0.19	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	23.8	-168.2	50.8	0	0	0	0	113.7	L314 E318 R319 G456	L314-T316 VanDerWaalsContact C-N 3.28Å; L314-T316 WeakPolarHBondContact CD1-OG1 3.44Å; L314-T316 PolarHBondContact O-N 2.84Å; T316-E318 PolarHBondContact O-N 3.4Å; T316-E318 VanDerWaalsContact O-N 3.11Å; T316-R319 PolarHBondContact O-N 3.46Å; T316-G456 WeakPolarHBondContact CB-O 3.25Å; T316-G456 PolarHBondContact OG1-O 3.01Å
317	K	93	Very high	95.8	Very high	60 Å²	60	62.9 Å²	62.9	26%	0.261	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-55.7	-32.7	-174.2	-70.6	171	-167.9	169.9	0	113.7	Y310 S312 L314 R319 L320	Y310-K317 WeakPolarHBondContact O-CE 3.45Å; Y310-K317 PolarHBondContact O-NZ 3.04Å; S312-K317 WeakPolarHBondContact O-CE 3.44Å; S312-K317 PolarHBondContact O-NZ 3.24Å; S312-K317 WeakPolarHBondContact OG-CE 3.32Å; L314-K317 HydrophobicContact CB-CG 3.92Å; L314-K317 HydrophobicContact CD2-CG 4.07Å; L314-K317 HydrophobicContact CG-CG 4Å; L314-K317 VanDerWaalsContact O-CE 3.31Å; L314-K317 WeakPolarHBondContact O-CE 3.44Å; L314-K317 WeakPolarHBondContact O-CG 3.09Å; K317-R319 PolarHBondContact O-N 3.11Å; K317-L320 HydrophobicContact CB-CD1 4.44Å; K317-L320 WeakPolarHBondContact O-CD1 3.44Å; K317-L320 WeakPolarHBondContact O-CG 3.36Å
318	E	90	Very high	95.8	Very high	163 Å²	163	61.5 Å²	61.5	76%	0.762	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-73.6	-17.5	-178.2	-57	71.8	-155.2	0	0	112.5	T316	T316-E318 PolarHBondContact O-N 3.4Å; T316-E318 VanDerWaalsContact O-N 3.11Å
319	R	92.1	Very high	95.9	Very high	190 Å²	190	60.8 Å²	60.8	72%	0.717	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-104.5	8.6	-176.5	-57.9	-178.2	-173.6	169.7	2.1	113.1	T316 K317 T321	T316-R319 PolarHBondContact O-N 3.46Å; K317-R319 PolarHBondContact O-N 3.11Å; R319-T321 PolarHBondContact O-N 2.82Å
320	L	96.5	Very high	95.9	Very high	14 Å²	14	60.8 Å²	60.8	7%	0.073	29%	0.29	C	S	.	.			trans	-68.5	125	-178.3	-67.4	173.2	0	0	0	111.4	V305 L314 K317 F450 F454 D455	V305-L320 HydrophobicContact CG2-CD1 4Å; L314-L320 HydrophobicContact CD2-CD1 4.09Å; L314-L320 HydrophobicContact CD2-CD2 4.17Å; K317-L320 HydrophobicContact CB-CD1 4.44Å; K317-L320 WeakPolarHBondContact O-CD1 3.44Å; K317-L320 WeakPolarHBondContact O-CG 3.36Å; L320-F450 HydrophobicContact CD1-CE2 3.77Å; L320-F450 HydrophobicContact CD1-CZ 3.75Å; L320-F450 HydrophobicContact CD2-CE2 4.14Å; L320-F450 HydrophobicContact CD2-CZ 3.66Å; L320-F450 HydrophobicContact CG-CE2 4.47Å; L320-F450 HydrophobicContact CG-CZ 4.32Å; L320-F454 HydrophobicContact CB-CD1 4.14Å; L320-D455 WeakPolarHBondContact CA-O 3.33Å; L320-D455 WeakPolarHBondContact CD2-O 3.41Å
321	T	96.8	Very high	96	Very high	64 Å²	64	55.2 Å²	55.2	39%	0.393	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133	-178.5	52.1	0	0	0	0	111.4	R319 F454 D455	R319-T321 PolarHBondContact O-N 2.82Å; T321-F454 CarbonylContact O-C 3.52Å; T321-F454 WeakPolarHBondContact O-CA 3.4Å; T321-D455 PolarHBondContact N-O 3.05Å; T321-D455 VanDerWaalsContact N-O 3.07Å; T321-D455 PolarHBondContact O-N 2.79Å
322	P	97.1	Very high	96.1	Very high	23 Å²	23	51.3 Å²	51.3	15%	0.149	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	137.5	173.5	-26.9	35.2	0	0	0	112	F224 Y232 Y302 F454	F224-P322 HydrophobicContact CD1-CB 4.32Å; F224-P322 HydrophobicContact CD1-CG 4.41Å; F224-P322 HydrophobicContact CE1-CB 3.72Å; F224-P322 HydrophobicContact CE1-CG 3.67Å; F224-P322 HydrophobicContact CE2-CB 4.04Å; F224-P322 HydrophobicContact CZ-CB 3.58Å; F224-P322 HydrophobicContact CZ-CG 3.93Å; Y232-P322 HydrophobicContact CE1-CB 4.05Å; Y232-P322 HydrophobicContact CE1-CG 4.47Å; Y302-P322 HydrophobicContact CD1-CG 3.86Å; Y302-P322 HydrophobicContact CD2-CG 3.56Å; Y302-P322 HydrophobicContact CE1-CG 4.26Å; Y302-P322 HydrophobicContact CE2-CG 3.99Å; Y302-P322 HydrophobicContact CG-CG 3.49Å; Y302-P322 VanDerWaalsContact CG-CG 3.49Å; P322-F454 HydrophobicContact CB-CE1 4.43Å; P322-F454 HydrophobicContact CG-CD1 4.39Å; P322-F454 HydrophobicContact CG-CE1 3.7Å; P322-F454 HydrophobicContact CG-CZ 4.06Å
323	R	95.9	Very high	96.1	Very high	38 Å²	38	50.8 Å²	50.8	14%	0.143	25%	0.247	C	C	.	.			trans	-79.2	144.5	175.2	-65.3	-174.6	57.5	102.5	-0.8	111	T325 D431 L453 D455	R323-T325 PolarHBondContact NE-O 3.23Å; R323-T325 PolarHBondContact NH2-O 3.13Å; R323-D431 IonicContact CZ-OD2 3.81Å; R323-D431 IonicContact NH1-OD2 3.8Å; R323-D431 PolarHBondContact NH1-OD2 3.26Å; R323-D431 IonicContact NH2-OD2 2.7Å; R323-D431 PolarHBondContact NH2-OD2 3.38Å; R323-L453 WeakPolarHBondContact CB-O 3.42Å; R323-L453 WeakPolarHBondContact CG-O 3.31Å; R323-L453 PolarHBondContact N-O 3.15Å; R323-D455 WeakPolarHBondContact CD-OD1 3.46Å; R323-D455 HydrophobicContact CG-CB 4.34Å; R323-D455 WeakPolarHBondContact CG-OD2 3.18Å; R323-D455 IonicContact CZ-OD1 3.59Å; R323-D455 IonicContact CZ-OD2 3.27Å; R323-D455 IonicContact NE-OD1 3.03Å; R323-D455 IonicContact NH1-OD1 3.23Å; R323-D455 PolarHBondContact NH1-OD1 3Å; R323-D455 IonicContact NH1-OD2 3.39Å; R323-D455 PolarHBondContact NH1-OD2 3.48Å
324	K	92.4	Very high	96.1	Very high	207 Å²	207	47.4 Å²	47.4	90%	0.9	23%	0.229	S	C	*	.	S	Bend	trans	-71	-42.6	168.8	-67.1	-178.9	-178.1	176.2	0	111.2
325	T	95.4	Very high	96	Very high	68 Å²	68	47.4 Å²	47.4	42%	0.417	23%	0.228	S	C	.	.	S	Bend	trans	-114.8	116.6	177.3	-49.8	0	0	0	0	108.4	R323 R429	R323-T325 PolarHBondContact NE-O 3.23Å; R323-T325 PolarHBondContact NH2-O 3.13Å; T325-R429 VanDerWaalsContact CG2-NH1 3.35Å
326	P	97.6	Very high	95.9	Very high	15 Å²	15	45.7 Å²	45.7	10%	0.097	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-54.8	144.7	175.8	-25.1	34.5	0	0	0	111.5	D219 Y223 R429 K452 L453	D219-P326 HydrophobicContact CB-CB 4.45Å; Y223-P326 HydrophobicContact CD2-CG 4.11Å; Y223-P326 HydrophobicContact CE2-CG 4.13Å; P326-R429 PolarHBondContact O-NH2 3.26Å; P326-K452 HydrophobicContact CB-CD 4.5Å; P326-K452 HydrophobicContact CB-CG 3.96Å; P326-L453 HydrophobicContact CB-CD2 4.04Å; P326-L453 HydrophobicContact CG-CD2 4.02Å
327	R	98.1	Very high	95.8	Very high	19 Å²	19	45.2 Å²	45.2	7%	0.072	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-66.5	158.8	163.6	-64.1	180	170.1	102.6	6.6	109.2	D431 V433 L451 K452 F454 D455 W457	R327-D431 WeakPolarHBondContact CD-O 3.47Å; R327-D431 VanDerWaalsContact CG-O 3.27Å; R327-D431 WeakPolarHBondContact CG-O 3.35Å; R327-D431 PolarHBondContact NE-O 2.92Å; R327-V433 HydrophobicContact CB-CG2 4.1Å; R327-V433 VanDerWaalsContact CD-CG2 3.49Å; R327-V433 HydrophobicContact CG-CG2 4.47Å; R327-L451 PolarHBondContact NH1-O 3.04Å; R327-K452 PolarHBondContact N-O 3.36Å; R327-K452 WeakPolarHBondContact O-CD 3.32Å; R327-K452 VanDerWaalsContact O-CE 3.22Å; R327-K452 WeakPolarHBondContact O-CE 3.25Å; R327-K452 VanDerWaalsContact O-CG 3.25Å; R327-K452 WeakPolarHBondContact O-CG 3.03Å; R327-F454 PolarHBondContact NH1-O 2.81Å; R327-D455 IonicContact CZ-OD1 2.74Å; R327-D455 IonicContact NH1-OD1 3.53Å; R327-D455 IonicContact NH2-OD1 3.34Å; R327-D455 PolarHBondContact NH2-OD1 3.18Å; R327-W457 VanDerWaalsContact NH1-CE2 3.31Å
328	R	98.2	Very high	96	Very high	9 Å²	9	43.3 Å²	43.3	3%	0.034	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-98.6	140.5	168.2	-63.2	154.1	-54	178.9	16.2	108.7	L216 Q217 D218 D354 G427 D432 V433	L216-R328 HydrophobicContact CD2-CB 3.86Å; L216-R328 HydrophobicContact CG-CB 4.28Å; Q217-R328 WeakPolarHBondContact O-CD 3.38Å; D218-R328 IonicContact OD1-CZ 3.53Å; D218-R328 IonicContact OD1-NE 2.99Å; D218-R328 IonicContact OD1-NH1 2.66Å; D218-R328 PolarHBondContact OD1-NH1 2.82Å; R328-D354 WeakPolarHBondContact CA-OD2 3.26Å; R328-D354 HydrophobicContact CB-CB 4.07Å; R328-D354 HydrophobicContact CG-CB 4.48Å; R328-G427 PolarHBondContact NH1-O 3.43Å; R328-G427 PolarHBondContact NH2-O 2.88Å; R328-D432 WeakPolarHBondContact CB-OD1 3.48Å; R328-D432 IonicContact CZ-OD1 3.42Å; R328-D432 IonicContact CZ-OD2 3.7Å; R328-D432 PolarHBondContact N-OD1 2.86Å; R328-D432 IonicContact NE-OD1 2.63Å; R328-D432 PolarHBondContact NE-OD1 2.78Å; R328-D432 IonicContact NE-OD2 3.5Å; R328-D432 PolarHBondContact NE-OD2 3.11Å; R328-D432 IonicContact NH2-OD1 3.33Å; R328-D432 IonicContact NH2-OD2 3.53Å; R328-D432 PolarHBondContact NH2-OD2 3.43Å; R328-D432 CarbonylContact O-C 3.55Å; R328-D432 WeakPolarHBondContact O-CA 3.37Å; R328-D432 WeakPolarHBondContact O-CB 3.3Å; R328-V433 PolarHBondContact O-N 3.01Å
329	V	98.7	Very high	96.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.5	-177.7	-179.4	0	0	0	0	108.9	V353 D354 L355 V433 V435 K452	V329-V353 HydrophobicContact CG1-CG2 4.06Å; V329-D354 PolarHBondContact N-OD2 2.99Å; V329-D354 PolarHBondContact O-N 3.11Å; V329-L355 PolarHBondContact O-N 3.15Å; V329-V433 WeakPolarHBondContact CA-O 3.37Å; V329-V433 HydrophobicContact CG2-CB 4.23Å; V329-V435 HydrophobicContact CG1-CG2 4.04Å; V329-K452 HydrophobicContact CG2-CB 3.93Å; V329-K452 HydrophobicContact CG2-CD 4.12Å
330	I	98.8	Very high	96.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.9	175.4	-56.2	176.2	0	0	0	107.5	L216 L355 L357 L422 V425 V433 F434 V435 L488	L216-I330 HydrophobicContact CD2-CD1 4.2Å; L216-I330 HydrophobicContact CD2-CG1 4.4Å; I330-L355 CarbonylContact C-O 3.47Å; I330-L355 WeakPolarHBondContact CA-O 3.31Å; I330-L355 HydrophobicContact CG1-CB 4.37Å; I330-L355 HydrophobicContact CG2-CD2 4.35Å; I330-L355 HydrophobicContact CG2-CG 4.45Å; I330-L357 HydrophobicContact CG2-CD1 3.7Å; I330-L357 HydrophobicContact CG2-CD2 4.31Å; I330-L357 HydrophobicContact CG2-CG 3.68Å; I330-L422 HydrophobicContact CD1-CD2 4.01Å; I330-L422 HydrophobicContact CG2-CD2 4.31Å; I330-V425 HydrophobicContact CD1-CG1 4.44Å; I330-V433 PolarHBondContact N-O 3.49Å; I330-F434 HydrophobicContact CG2-CD2 4.38Å; I330-V435 PolarHBondContact O-N 3.22Å; I330-L488 HydrophobicContact CD1-CD1 3.98Å; I330-L488 HydrophobicContact CD1-CD2 4.5Å
331	N	98.8	Very high	96.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.3	174.9	-175.4	-145.3	0	0	0	110.9	I333 R345 V353 L355 F356 L357 V435	N331-I333 WeakPolarHBondContact OD1-CD1 3.37Å; N331-R345 PolarHBondContact OD1-NH1 3.07Å; N331-V353 HydrophobicContact CB-CG1 4Å; N331-V353 HydrophobicContact CB-CG2 4.11Å; N331-L355 PolarHBondContact N-O 2.92Å; N331-F356 HydrophobicContact CB-CD1 4.02Å; N331-F356 HydrophobicContact CB-CE1 4.28Å; N331-F356 CarbonylContact O-C 2.97Å; N331-F356 WeakPolarHBondContact O-CA 3.46Å; N331-L357 PolarHBondContact O-N 3Å; N331-V435 CarbonylContact C-O 3.55Å; N331-V435 VanDerWaalsContact CA-O 3.28Å; N331-V435 WeakPolarHBondContact CA-O 3.46Å; N331-V435 PolarHBondContact ND2-O 3.39Å
332	A	98.6	Very high	96.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.7	179.8	0	0	0	0	0	110.9	L357 L417 F434 V435 I436 N437	A332-L357 WeakPolarHBondContact CA-O 3.2Å; A332-L357 HydrophobicContact CB-CB 4.21Å; A332-L357 HydrophobicContact CB-CD1 4.27Å; A332-L417 HydrophobicContact CB-CD1 4.23Å; A332-L417 HydrophobicContact CB-CD2 3.85Å; A332-L417 HydrophobicContact CB-CG 4.08Å; A332-F434 HydrophobicContact CB-CE2 3.67Å; A332-F434 HydrophobicContact CB-CZ 3.73Å; A332-V435 PolarHBondContact N-O 2.92Å; A332-I436 HydrophobicContact CB-CB 4.37Å; A332-I436 HydrophobicContact CB-CG1 4.49Å; A332-I436 WeakPolarHBondContact O-CA 3.3Å; A332-N437 PolarHBondContact O-N 3.46Å
333	I	97.8	Very high	96.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.5	-170.4	-50.6	148.1	0	0	0	109.2	N331 L342 F356 L357 V358 C359 A439	N331-I333 WeakPolarHBondContact OD1-CD1 3.37Å; I333-L342 HydrophobicContact CD1-CD1 4.16Å; I333-L342 HydrophobicContact CG2-CD1 4.38Å; I333-F356 HydrophobicContact CD1-CD1 3.94Å; I333-L357 PolarHBondContact N-O 3.23Å; I333-V358 HydrophobicContact CD1-CG2 4.45Å; I333-V358 WeakPolarHBondContact O-CA 3.44Å; I333-C359 PolarHBondContact O-N 3.21Å; I333-A439 HydrophobicContact CG2-CB 4.24Å
334	N	96.2	Very high	96.6	Very high	16 Å²	16	21.7 Å²	21.7	9%	0.086	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.3	165.1	-71.4	-35.7	0	0	0	109.3	C359 L413 R414 L417	N334-C359 WeakPolarHBondContact OD1-CB 3.38Å; N334-L413 HydrophobicContact CB-CD2 3.76Å; N334-L413 HydrophobicContact CB-CG 4.2Å; N334-L413 VanDerWaalsContact CG-CG 3.49Å; N334-L413 WeakPolarHBondContact ND2-CG 3.03Å; N334-R414 WeakPolarHBondContact ND2-CG 3.47Å; N334-L417 VanDerWaalsContact OD1-CD2 3.25Å; N334-L417 WeakPolarHBondContact OD1-CD2 3.22Å
335	I	95	Very high	96.9	Very high	5 Å²	5	11.8 Å²	11.8	3%	0.026	6%	0.062	C	C	.	.			trans	-118.9	134.7	178.7	-160.2	71.4	0	0	0	111.6	E338 F339 L342 V358 C359 E360 R370 F374 A439	I335-E338 HydrophobicContact CD1-CB 3.74Å; I335-F339 HydrophobicContact CG1-CD1 4.41Å; I335-F339 HydrophobicContact CG1-CE1 4.2Å; I335-L342 HydrophobicContact CD1-CB 3.88Å; I335-L342 HydrophobicContact CD1-CD1 4.46Å; I335-L342 HydrophobicContact CD1-CD2 3.99Å; I335-L342 HydrophobicContact CD1-CG 4.33Å; I335-L342 HydrophobicContact CG1-CD2 4.03Å; I335-V358 HydrophobicContact CB-CG1 4.45Å; I335-V358 HydrophobicContact CG2-CG1 4.09Å; I335-C359 PolarHBondContact N-O 3.04Å; I335-E360 HydrophobicContact CG2-CB 4.18Å; I335-R370 PolarHBondContact O-NH2 3.22Å; I335-R370 VanDerWaalsContact O-NH2 3.08Å; I335-F374 HydrophobicContact CG2-CB 4.07Å; I335-F374 HydrophobicContact CG2-CD1 4.37Å; I335-F374 HydrophobicContact CG2-CG 4.18Å; I335-A439 HydrophobicContact CD1-CB 3.74Å
336	N	92	Very high	97	Very high	37 Å²	37	8.6 Å²	8.6	20%	0.198	4%	0.042	C	C	.	.	S	Bend	trans	-103.1	-75.9	165.3	-174.5	7.6	0	0	0	109.8	E338 R370 S555	N336-E338 WeakPolarHBondContact CA-OE2 3.49Å; N336-E338 WeakPolarHBondContact CB-OE2 3.24Å; N336-E338 PolarHBondContact N-OE2 2.86Å; N336-R370 PolarHBondContact O-NH1 2.85Å; N336-R370 PolarHBondContact OD1-NH1 2.79Å; N336-S555 PolarHBondContact ND2-OG 2.96Å
337	H	93.9	Very high	97	Very high	21 Å²	21	10.3 Å²	10.3	10%	0.097	5%	0.049	C	C	.	.	S	Bend	trans	-146.2	17.5	179.8	64.8	-75.4	0	0	0	112.9	F339 F544 G548	H337-F339 HydrophobicContact CB-CE2 4.03Å; H337-F339 PolarHBondContact O-N 2.83Å; H337-F544 AromaticContact CD2-CD1 3.86Å; H337-F544 AromaticContact CD2-CE1 3.39Å; H337-F544 WeakPolarHBondContact CD2-CE1 3.31Å; H337-F544 AromaticContact NE2-CD1 3.81Å; H337-F544 AromaticContact NE2-CE1 3.36Å; H337-F544 WeakPolarHBondContact NE2-CE1 3.41Å; H337-F544 AromaticContact NE2-CZ 3.62Å; H337-G548 PolarHBondContact NE2-O 2.97Å; H337-G548 VanDerWaalsContact NE2-O 3.12Å
338	E	96	Very high	97	Very high	19 Å²	19	10.2 Å²	10.2	9%	0.089	5%	0.049	C	C	.	.			trans	-73.5	42.8	176.8	-59.4	68.3	-161.3	0	0	112.1	I335 N336 D340 L341 L342 A439 F544	I335-E338 HydrophobicContact CD1-CB 3.74Å; N336-E338 WeakPolarHBondContact CA-OE2 3.49Å; N336-E338 WeakPolarHBondContact CB-OE2 3.24Å; N336-E338 PolarHBondContact N-OE2 2.86Å; E338-D340 VanDerWaalsContact C-N 3.32Å; E338-D340 PolarHBondContact O-N 2.67Å; E338-L341 HydrophobicContact CB-CB 4.36Å; E338-L341 PolarHBondContact O-N 2.86Å; E338-L342 WeakPolarHBondContact O-CB 3.46Å; E338-L342 PolarHBondContact O-N 3.02Å; E338-A439 HydrophobicContact CB-CB 3.69Å; E338-A439 HydrophobicContact CG-CB 3.76Å; E338-F544 HydrophobicContact CB-CE1 4.48Å; E338-F544 HydrophobicContact CB-CZ 4.42Å; E338-F544 HydrophobicContact CG-CE1 4.13Å; E338-F544 HydrophobicContact CG-CZ 3.61Å
339	F	95.6	Very high	97	Very high	15 Å²	15	9.8 Å²	9.8	7%	0.066	5%	0.048	C	C	.	.	H	α-helix	trans	-62.7	-35.2	-169.3	-60.7	-55.4	0	0	0	113.7	P160 I335 H337 L342 H343 F374 L377	P160-F339 HydrophobicContact CG-CD2 3.6Å; P160-F339 HydrophobicContact CG-CE2 3.6Å; I335-F339 HydrophobicContact CG1-CD1 4.41Å; I335-F339 HydrophobicContact CG1-CE1 4.2Å; H337-F339 HydrophobicContact CB-CE2 4.03Å; H337-F339 PolarHBondContact O-N 2.83Å; F339-L342 PolarHBondContact O-N 2.89Å; F339-H343 VanDerWaalsContact O-CB 3.22Å; F339-H343 WeakPolarHBondContact O-CB 3.35Å; F339-H343 PolarHBondContact O-N 3Å; F339-F374 HydrophobicContact CE1-CB 3.92Å; F339-F374 HydrophobicContact CE1-CD2 4.47Å; F339-L377 HydrophobicContact CB-CD1 4.43Å; F339-L377 HydrophobicContact CD1-CD1 3.77Å; F339-L377 HydrophobicContact CD2-CD1 4.23Å; F339-L377 HydrophobicContact CE1-CD1 4.1Å; F339-L377 HydrophobicContact CG-CD1 3.87Å; F339-L377 HydrophobicContact CZ-CD1 4.46Å
340	D	96.1	Very high	96.9	Very high	12 Å²	12	11.4 Å²	11.4	6%	0.064	6%	0.059	C	C	.	.	H	α-helix	trans	-68.8	-37.8	177.2	-75.9	-44.7	0	0	0	112.4	H159 E338 T344 R614 Y615 Y617	H159-D340 IonicContact CE1-OD1 3.66Å; H159-D340 IonicContact CE1-OD2 3.75Å; H159-D340 PolarHBondContact CE1-OD2 3.02Å; H159-D340 IonicContact ND1-OD2 2.75Å; E338-D340 VanDerWaalsContact C-N 3.32Å; E338-D340 PolarHBondContact O-N 2.67Å; D340-T344 WeakPolarHBondContact O-CB 3.17Å; D340-T344 PolarHBondContact O-N 3.46Å; D340-T344 PolarHBondContact O-OG1 2.91Å; D340-R614 IonicContact OD1-CZ 2.86Å; D340-R614 IonicContact OD1-NE 3.76Å; D340-R614 IonicContact OD1-NH2 2.7Å; D340-R614 PolarHBondContact OD1-NH2 3.42Å; D340-R614 VanDerWaalsContact OD1-NH2 3.13Å; D340-Y615 HydrophobicContact CB-CD1 4.45Å; D340-Y615 HydrophobicContact CB-CE1 3.81Å; D340-Y617 PolarHBondContact OD2-OH 2.82Å
341	L	97.5	Very high	96.6	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.016	9%	0.085	C	C	.	.	H	α-helix	trans	-72.8	-36.6	174.3	-58.9	-178.9	0	0	0	111.3	E338 T344 R345 D440 I442	E338-L341 HydrophobicContact CB-CB 4.36Å; E338-L341 PolarHBondContact O-N 2.86Å; L341-T344 PolarHBondContact O-N 3.14Å; L341-R345 WeakPolarHBondContact O-CB 3.44Å; L341-R345 PolarHBondContact O-N 2.85Å; L341-D440 HydrophobicContact CD1-CB 3.86Å; L341-I442 HydrophobicContact CB-CD1 4.37Å; L341-I442 HydrophobicContact CD2-CD1 4.48Å
342	L	97.4	Very high	96.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.2	-44.3	172.9	-176.2	65.8	0	0	0	111.6	I333 I335 E338 F339 R345 F346 V358 F374	I333-L342 HydrophobicContact CD1-CD1 4.16Å; I333-L342 HydrophobicContact CG2-CD1 4.38Å; I335-L342 HydrophobicContact CD1-CB 3.88Å; I335-L342 HydrophobicContact CD1-CD1 4.46Å; I335-L342 HydrophobicContact CD1-CD2 3.99Å; I335-L342 HydrophobicContact CD1-CG 4.33Å; I335-L342 HydrophobicContact CG1-CD2 4.03Å; E338-L342 WeakPolarHBondContact O-CB 3.46Å; E338-L342 PolarHBondContact O-N 3.02Å; F339-L342 PolarHBondContact O-N 2.89Å; L342-R345 WeakPolarHBondContact O-CB 3.47Å; L342-R345 PolarHBondContact O-N 2.77Å; L342-F346 HydrophobicContact CD1-CE1 3.86Å; L342-F346 HydrophobicContact CD1-CE2 4.06Å; L342-F346 HydrophobicContact CD1-CZ 3.54Å; L342-F346 HydrophobicContact CD2-CE2 4.04Å; L342-F346 HydrophobicContact CD2-CZ 4.05Å; L342-F346 HydrophobicContact CG-CD2 4.36Å; L342-F346 HydrophobicContact CG-CE1 4.38Å; L342-F346 HydrophobicContact CG-CE2 3.67Å; L342-F346 HydrophobicContact CG-CZ 3.68Å; L342-F346 WeakPolarHBondContact O-CG 3.35Å; L342-F346 PolarHBondContact O-N 3.03Å; L342-V358 HydrophobicContact CD2-CG1 4.4Å; L342-F374 HydrophobicContact CD2-CD2 3.77Å; L342-F374 HydrophobicContact CD2-CE2 3.53Å; L342-F374 HydrophobicContact CD2-CZ 4.28Å
343	H	96.4	Very high	96.5	Very high	8 Å²	8	16.9 Å²	16.9	4%	0.037	9%	0.085	C	C	.	.	H	α-helix	trans	-61.3	-46.7	177.3	-167	-130.4	0	0	0	110.8	F339 R345 F346 H347 Y383 Y385 Y607 R614 Y615	F339-H343 VanDerWaalsContact O-CB 3.22Å; F339-H343 WeakPolarHBondContact O-CB 3.35Å; F339-H343 PolarHBondContact O-N 3Å; H343-R345 PolarHBondContact O-N 2.98Å; H343-F346 PolarHBondContact O-N 3.31Å; H343-H347 AromaticContact CE1-CD2 3.92Å; H343-H347 AromaticContact CE1-NE2 3.62Å; H343-H347 AromaticContact NE2-CD2 3.82Å; H343-H347 AromaticContact NE2-NE2 3.42Å; H343-H347 PolarHBondContact NE2-NE2 3.22Å; H343-H347 PolarHBondContact O-CD2 2.95Å; H343-H347 PolarHBondContact O-N 3.24Å; H343-Y383 HydrophobicContact CB-CE1 4.43Å; H343-Y383 AromaticContact CD2-CE1 3.8Å; H343-Y385 AromaticContact CD2-CZ 3.96Å; H343-Y385 PolarHBondContact CD2-OH 2.86Å; H343-Y385 AromaticContact NE2-CE1 3.66Å; H343-Y385 AromaticContact NE2-CZ 3.69Å; H343-Y385 PolarHBondContact NE2-OH 3.31Å; H343-Y607 PolarHBondContact CE1-OH 2.88Å; H343-Y607 AromaticContact ND1-CE1 3.96Å; H343-R614 PolarHBondContact CE1-NH1 3.16Å; H343-R614 VanDerWaalsContact CE1-NH1 3.27Å; H343-R614 PolarHBondContact ND1-NH1 3.03Å; H343-R614 VanDerWaalsContact ND1-NH1 3.17Å; H343-Y615 PolarHBondContact ND1-OH 3.31Å
344	T	97.8	Very high	96.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.1	-49.7	172.7	-61.3	0	0	0	0	111.2	D340 L341 F346 H347 E348 I442 P605 I608	D340-T344 WeakPolarHBondContact O-CB 3.17Å; D340-T344 PolarHBondContact O-N 3.46Å; D340-T344 PolarHBondContact O-OG1 2.91Å; L341-T344 PolarHBondContact O-N 3.14Å; T344-F346 VanDerWaalsContact C-N 3.3Å; T344-F346 PolarHBondContact O-N 2.79Å; T344-H347 PolarHBondContact O-N 3.33Å; T344-H347 VanDerWaalsContact O-N 3.15Å; T344-E348 HydrophobicContact CG2-CG 4Å; T344-E348 VanDerWaalsContact O-CG 3.3Å; T344-E348 WeakPolarHBondContact O-CG 3.23Å; T344-E348 PolarHBondContact O-N 2.66Å; T344-I442 HydrophobicContact CG2-CD1 4.01Å; T344-P605 HydrophobicContact CG2-CB 3.49Å; T344-P605 VanDerWaalsContact CG2-CB 3.49Å; T344-P605 HydrophobicContact CG2-CG 3.9Å; T344-I608 HydrophobicContact CG2-CD1 3.79Å; T344-I608 HydrophobicContact CG2-CG1 3.63Å; T344-I608 WeakPolarHBondContact OG1-CD1 3.24Å; T344-I608 VanDerWaalsContact OG1-CG1 3.26Å; T344-I608 WeakPolarHBondContact OG1-CG1 3.29Å
345	R	98.3	Very high	96.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-55.4	-43.6	179.4	-179.4	-168.4	-65.9	-106.3	-5.6	112.2	N331 L341 L342 H343 E348 L349 D438 A439 E441	N331-R345 PolarHBondContact OD1-NH1 3.07Å; L341-R345 WeakPolarHBondContact O-CB 3.44Å; L341-R345 PolarHBondContact O-N 2.85Å; L342-R345 WeakPolarHBondContact O-CB 3.47Å; L342-R345 PolarHBondContact O-N 2.77Å; H343-R345 PolarHBondContact O-N 2.98Å; R345-E348 PolarHBondContact O-N 3.14Å; R345-L349 HydrophobicContact CG-CD1 3.62Å; R345-L349 HydrophobicContact CG-CG 4.16Å; R345-L349 VanDerWaalsContact O-CB 3.23Å; R345-L349 WeakPolarHBondContact O-CB 3.47Å; R345-L349 WeakPolarHBondContact O-CG 3.4Å; R345-L349 PolarHBondContact O-N 3.02Å; R345-D438 PolarHBondContact NH2-O 3.47Å; R345-A439 PolarHBondContact NH2-O 3.49Å; R345-E441 PolarHBondContact NH2-O 3.4Å
346	F	98.3	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.9	-43.6	178.9	-66.4	-32.1	0	0	0	112	L342 H343 T344 S350 F356 V358 Y383 Y385 V386 I390	L342-F346 HydrophobicContact CD1-CE1 3.86Å; L342-F346 HydrophobicContact CD1-CE2 4.06Å; L342-F346 HydrophobicContact CD1-CZ 3.54Å; L342-F346 HydrophobicContact CD2-CE2 4.04Å; L342-F346 HydrophobicContact CD2-CZ 4.05Å; L342-F346 HydrophobicContact CG-CD2 4.36Å; L342-F346 HydrophobicContact CG-CE1 4.38Å; L342-F346 HydrophobicContact CG-CE2 3.67Å; L342-F346 HydrophobicContact CG-CZ 3.68Å; L342-F346 WeakPolarHBondContact O-CG 3.35Å; L342-F346 PolarHBondContact O-N 3.03Å; H343-F346 PolarHBondContact O-N 3.31Å; T344-F346 VanDerWaalsContact C-N 3.3Å; T344-F346 PolarHBondContact O-N 2.79Å; F346-S350 WeakPolarHBondContact O-CB 3.4Å; F346-S350 PolarHBondContact O-N 3.45Å; F346-S350 PolarHBondContact O-OG 3.41Å; F346-F356 AromaticContact CD1-CD1 3.99Å; F346-F356 HydrophobicContact CD1-CD1 3.99Å; F346-F356 AromaticContact CD1-CD2 3.91Å; F346-F356 HydrophobicContact CD1-CD2 3.91Å; F346-F356 AromaticContact CD1-CE1 4Å; F346-F356 HydrophobicContact CD1-CE1 4Å; F346-F356 AromaticContact CD1-CE2 3.92Å; F346-F356 HydrophobicContact CD1-CE2 3.92Å; F346-F356 AromaticContact CD1-CG 3.94Å; F346-F356 HydrophobicContact CD1-CG 3.94Å; F346-F356 AromaticContact CD1-CZ 3.96Å; F346-F356 HydrophobicContact CD1-CZ 3.96Å; F346-F356 HydrophobicContact CE1-CB 4Å; F346-F356 AromaticContact CE1-CD1 3.91Å; F346-F356 HydrophobicContact CE1-CD1 3.91Å; F346-F356 HydrophobicContact CE1-CD2 4.04Å; F346-F356 HydrophobicContact CE1-CE1 4.38Å; F346-F356 AromaticContact CE1-CG 3.72Å; F346-F356 HydrophobicContact CE1-CG 3.72Å; F346-V358 HydrophobicContact CE1-CG2 4.24Å; F346-V358 HydrophobicContact CZ-CG2 4.02Å; F346-Y383 AromaticContact CD2-CD1 3.61Å; F346-Y383 HydrophobicContact CD2-CD1 3.61Å; F346-Y383 AromaticContact CD2-CE1 3.75Å; F346-Y383 HydrophobicContact CD2-CE1 3.75Å; F346-Y383 AromaticContact CE2-CD1 3.6Å; F346-Y383 HydrophobicContact CE2-CD1 3.6Å; F346-Y383 AromaticContact CE2-CE1 3.66Å; F346-Y383 HydrophobicContact CE2-CE1 3.66Å; F346-Y383 HydrophobicContact CE2-CG 4.21Å; F346-Y385 HydrophobicContact CB-CE2 4.39Å; F346-V386 HydrophobicContact CB-CG1 4.05Å; F346-V386 HydrophobicContact CB-CG2 4.27Å; F346-V386 HydrophobicContact CD2-CG1 3.82Å; F346-V386 HydrophobicContact CE2-CG1 4.41Å; F346-V386 HydrophobicContact CG-CG1 3.95Å; F346-V386 HydrophobicContact CG-CG2 4.4Å; F346-I390 HydrophobicContact CD2-CD1 4.48Å; F346-I390 HydrophobicContact CE1-CD1 4.29Å; F346-I390 HydrophobicContact CE1-CG1 4.41Å; F346-I390 HydrophobicContact CE2-CD1 3.79Å; F346-I390 HydrophobicContact CZ-CD1 3.69Å; F346-I390 HydrophobicContact CZ-CG1 4.22Å
347	H	97.9	Very high	97.1	Very high	51 Å²	51	15 Å²	15	24%	0.236	8%	0.075	C	C	.	.	H	α-helix	trans	-65.2	-44.1	176.6	-79.1	-74.8	0	0	0	112.6	H343 T344 Y385 Y607	H343-H347 AromaticContact CE1-CD2 3.92Å; H343-H347 AromaticContact CE1-NE2 3.62Å; H343-H347 AromaticContact NE2-CD2 3.82Å; H343-H347 AromaticContact NE2-NE2 3.42Å; H343-H347 PolarHBondContact NE2-NE2 3.22Å; H343-H347 PolarHBondContact O-CD2 2.95Å; H343-H347 PolarHBondContact O-N 3.24Å; T344-H347 PolarHBondContact O-N 3.33Å; T344-H347 VanDerWaalsContact O-N 3.15Å; H347-Y385 AromaticContact CD2-CZ 3.98Å; H347-Y385 PolarHBondContact CD2-OH 3.11Å; H347-Y385 AromaticContact CE1-CE2 3.78Å; H347-Y385 AromaticContact CE1-CZ 3.85Å; H347-Y385 AromaticContact NE2-CE2 3.79Å; H347-Y385 AromaticContact NE2-CZ 3.41Å; H347-Y385 PolarHBondContact NE2-OH 3.34Å; H347-Y385 VanDerWaalsContact NE2-OH 3.16Å; H347-Y607 HydrophobicContact CB-CD1 4.13Å; H347-Y607 HydrophobicContact CB-CD2 3.43Å; H347-Y607 VanDerWaalsContact CB-CD2 3.43Å; H347-Y607 HydrophobicContact CB-CE1 4.46Å; H347-Y607 HydrophobicContact CB-CE2 3.82Å; H347-Y607 HydrophobicContact CB-CG 3.59Å; H347-Y607 AromaticContact CD2-CD2 3.89Å; H347-Y607 AromaticContact CD2-CE1 3.61Å; H347-Y607 AromaticContact CD2-CE2 3.33Å; H347-Y607 WeakPolarHBondContact CD2-CE2 3.21Å; H347-Y607 AromaticContact CD2-CZ 3.17Å; H347-Y607 PolarHBondContact CD2-OH 2.89Å; H347-Y607 AromaticContact CE1-CE2 3.7Å; H347-Y607 AromaticContact CG-CD2 3.48Å; H347-Y607 VanDerWaalsContact CG-CD2 3.48Å; H347-Y607 AromaticContact CG-CE2 3.29Å; H347-Y607 AromaticContact CG-CG 3.99Å; H347-Y607 AromaticContact CG-CZ 3.67Å; H347-Y607 AromaticContact ND1-CD2 3.94Å; H347-Y607 AromaticContact ND1-CE2 3.54Å; H347-Y607 AromaticContact NE2-CE2 3.59Å; H347-Y607 AromaticContact NE2-CZ 3.43Å; H347-Y607 PolarHBondContact NE2-OH 3.41Å
348	E	97.4	Very high	97.4	Very high	17 Å²	17	14 Å²	14	8%	0.079	7%	0.07	C	C	.	.	H	α-helix	trans	-65	-41.6	178.5	-68.1	-65.4	156.9	0	0	112.6	T344 R345 Q445 P605 K606 Y607	T344-E348 HydrophobicContact CG2-CG 4Å; T344-E348 VanDerWaalsContact O-CG 3.3Å; T344-E348 WeakPolarHBondContact O-CG 3.23Å; T344-E348 PolarHBondContact O-N 2.66Å; R345-E348 PolarHBondContact O-N 3.14Å; E348-Q445 PolarHBondContact O-OE1 2.84Å; E348-Q445 VanDerWaalsContact O-OE1 3.13Å; E348-P605 HydrophobicContact CG-CB 4.11Å; E348-P605 WeakPolarHBondContact OE1-CB 3.35Å; E348-K606 WeakPolarHBondContact OE1-CA 3.29Å; E348-K606 PolarHBondContact OE1-N 3.28Å; E348-Y607 WeakPolarHBondContact OE1-CB 3.33Å; E348-Y607 PolarHBondContact OE1-N 2.04Å
349	L	98.2	Very high	97.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-104.5	-12.4	-165.4	-59.6	-171.3	0	0	0	114.3	R345 Q351 A352 V353 F356 P443 Q445 L448	R345-L349 HydrophobicContact CG-CD1 3.62Å; R345-L349 HydrophobicContact CG-CG 4.16Å; R345-L349 VanDerWaalsContact O-CB 3.23Å; R345-L349 WeakPolarHBondContact O-CB 3.47Å; R345-L349 WeakPolarHBondContact O-CG 3.4Å; R345-L349 PolarHBondContact O-N 3.02Å; L349-Q351 PolarHBondContact O-N 2.02Å; L349-A352 PolarHBondContact O-N 2.92Å; L349-V353 HydrophobicContact CB-CB 4.47Å; L349-V353 HydrophobicContact CB-CG2 3.82Å; L349-V353 HydrophobicContact CD1-CG2 4.43Å; L349-V353 WeakPolarHBondContact O-CB 3.38Å; L349-V353 PolarHBondContact O-N 3.34Å; L349-F356 HydrophobicContact CB-CE1 4.09Å; L349-F356 HydrophobicContact CB-CZ 3.91Å; L349-P443 WeakPolarHBondContact CD2-O 3.37Å; L349-Q445 HydrophobicContact CD2-CB 4.46Å; L349-L448 HydrophobicContact CD1-CD1 4.11Å; L349-L448 HydrophobicContact CD2-CD1 4.02Å
350	S	96.3	Very high	97.5	Very high	35 Å²	35	12.4 Å²	12.4	25%	0.245	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.5	-175.3	57.1	0	0	0	0	114.4	F346 K389	F346-S350 WeakPolarHBondContact O-CB 3.4Å; F346-S350 PolarHBondContact O-N 3.45Å; F346-S350 PolarHBondContact O-OG 3.41Å; S350-K389 PolarHBondContact O-NZ 3.17Å
351	Q	93.8	Very high	97.4	Very high	116 Å²	116	12.1 Å²	12.1	54%	0.542	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-26.7	176.3	-68	-170.5	-0.9	0	0	113.8	L349	L349-Q351 PolarHBondContact O-N 2.02Å
352	A	96.8	Very high	97.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-34	-179.1	0	0	0	0	0	112.5	L349 Q445 L448 L449	L349-A352 PolarHBondContact O-N 2.92Å; A352-Q445 HydrophobicContact CB-CG 3.95Å; A352-L448 HydrophobicContact CB-CB 3.94Å; A352-L449 HydrophobicContact CB-CD2 3.91Å; A352-L449 HydrophobicContact CB-CG 3.84Å
353	V	98.3	Very high	97.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.			trans	-92.1	133.7	-175.9	176.3	0	0	0	0	110.9	V329 N331 L349 L355 F356 K389 L448	V329-V353 HydrophobicContact CG1-CG2 4.06Å; N331-V353 HydrophobicContact CB-CG1 4Å; N331-V353 HydrophobicContact CB-CG2 4.11Å; L349-V353 HydrophobicContact CB-CB 4.47Å; L349-V353 HydrophobicContact CB-CG2 3.82Å; L349-V353 HydrophobicContact CD1-CG2 4.43Å; L349-V353 WeakPolarHBondContact O-CB 3.38Å; L349-V353 PolarHBondContact O-N 3.34Å; V353-L355 VanDerWaalsContact CG1-O 3.26Å; V353-L355 WeakPolarHBondContact CG1-O 3.47Å; V353-F356 HydrophobicContact CB-CE1 3.91Å; V353-F356 HydrophobicContact CB-CE2 4.13Å; V353-F356 HydrophobicContact CB-CZ 3.64Å; V353-F356 HydrophobicContact CG1-CD1 3.84Å; V353-F356 HydrophobicContact CG1-CD2 4.1Å; V353-F356 HydrophobicContact CG1-CE1 3.64Å; V353-F356 HydrophobicContact CG1-CE2 3.9Å; V353-F356 HydrophobicContact CG1-CG 4.07Å; V353-F356 HydrophobicContact CG1-CZ 3.67Å; V353-F356 HydrophobicContact CG2-CE1 4.06Å; V353-F356 HydrophobicContact CG2-CZ 4.16Å; V353-K389 PolarHBondContact O-NZ 3.43Å; V353-L448 HydrophobicContact CG2-CD1 3.94Å
354	D	98.4	Very high	96.9	Very high	18 Å²	18	16.3 Å²	16.3	10%	0.096	8%	0.084	C	C	.	.	S	Bend	trans	-97.2	-24.3	-179.9	-59.7	-77.3	0	0	0	112	Y214 L216 R328 V329 K452	Y214-D354 PolarHBondContact OH-O 2.84Å; L216-D354 HydrophobicContact CD1-CB 4.18Å; R328-D354 WeakPolarHBondContact CA-OD2 3.26Å; R328-D354 HydrophobicContact CB-CB 4.07Å; R328-D354 HydrophobicContact CG-CB 4.48Å; V329-D354 PolarHBondContact N-OD2 2.99Å; V329-D354 PolarHBondContact O-N 3.11Å; D354-K452 IonicContact OD1-NZ 3.96Å; D354-K452 PolarHBondContact OD1-NZ 2.96Å; D354-K452 IonicContact OD2-NZ 3.63Å; D354-K452 PolarHBondContact OD2-NZ 3.09Å
355	L	98.6	Very high	96.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	130.1	177.4	178.4	59.2	0	0	0	111.6	Y214 L216 V329 I330 N331 V353 L357 K389 L391 V425	Y214-L355 HydrophobicContact CD1-CD1 3.76Å; Y214-L355 HydrophobicContact CD1-CD2 3.88Å; Y214-L355 HydrophobicContact CD1-CG 4.35Å; Y214-L355 HydrophobicContact CD2-CD1 3.89Å; Y214-L355 HydrophobicContact CE1-CB 4.37Å; Y214-L355 HydrophobicContact CE1-CD1 3.72Å; Y214-L355 HydrophobicContact CE1-CD2 4.25Å; Y214-L355 HydrophobicContact CE1-CG 4.34Å; Y214-L355 HydrophobicContact CE2-CD1 3.85Å; Y214-L355 HydrophobicContact CG-CD1 3.84Å; Y214-L355 HydrophobicContact CG-CD2 4.38Å; L216-L355 HydrophobicContact CD1-CB 3.86Å; L216-L355 HydrophobicContact CD1-CD2 4.3Å; V329-L355 PolarHBondContact O-N 3.15Å; I330-L355 CarbonylContact C-O 3.47Å; I330-L355 WeakPolarHBondContact CA-O 3.31Å; I330-L355 HydrophobicContact CG1-CB 4.37Å; I330-L355 HydrophobicContact CG2-CD2 4.35Å; I330-L355 HydrophobicContact CG2-CG 4.45Å; N331-L355 PolarHBondContact N-O 2.92Å; V353-L355 VanDerWaalsContact CG1-O 3.26Å; V353-L355 WeakPolarHBondContact CG1-O 3.47Å; L355-L357 HydrophobicContact CD1-CD2 4.5Å; L355-L357 HydrophobicContact CD2-CD2 3.75Å; L355-L357 HydrophobicContact CG-CD2 3.95Å; L355-K389 CarbonylContact C-O 3.54Å; L355-K389 WeakPolarHBondContact CA-O 3.41Å; L355-K389 WeakPolarHBondContact CD1-O 3.2Å; L355-L391 HydrophobicContact CD1-CB 3.82Å; L355-V425 HydrophobicContact CD2-CB 4.48Å; L355-V425 HydrophobicContact CD2-CG1 4.08Å; L355-V425 HydrophobicContact CD2-CG2 3.52Å
356	F	98.7	Very high	96.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.2	168	-63.3	-79.5	0	0	0	109.7	N331 I333 F346 L349 V353 V358 V386 K389 I390 L391	N331-F356 HydrophobicContact CB-CD1 4.02Å; N331-F356 HydrophobicContact CB-CE1 4.28Å; N331-F356 CarbonylContact O-C 2.97Å; N331-F356 WeakPolarHBondContact O-CA 3.46Å; I333-F356 HydrophobicContact CD1-CD1 3.94Å; F346-F356 AromaticContact CD1-CD1 3.99Å; F346-F356 HydrophobicContact CD1-CD1 3.99Å; F346-F356 AromaticContact CD1-CD2 3.91Å; F346-F356 HydrophobicContact CD1-CD2 3.91Å; F346-F356 AromaticContact CD1-CE1 4Å; F346-F356 HydrophobicContact CD1-CE1 4Å; F346-F356 AromaticContact CD1-CE2 3.92Å; F346-F356 HydrophobicContact CD1-CE2 3.92Å; F346-F356 AromaticContact CD1-CG 3.94Å; F346-F356 HydrophobicContact CD1-CG 3.94Å; F346-F356 AromaticContact CD1-CZ 3.96Å; F346-F356 HydrophobicContact CD1-CZ 3.96Å; F346-F356 HydrophobicContact CE1-CB 4Å; F346-F356 AromaticContact CE1-CD1 3.91Å; F346-F356 HydrophobicContact CE1-CD1 3.91Å; F346-F356 HydrophobicContact CE1-CD2 4.04Å; F346-F356 HydrophobicContact CE1-CE1 4.38Å; F346-F356 AromaticContact CE1-CG 3.72Å; F346-F356 HydrophobicContact CE1-CG 3.72Å; L349-F356 HydrophobicContact CB-CE1 4.09Å; L349-F356 HydrophobicContact CB-CZ 3.91Å; V353-F356 HydrophobicContact CB-CE1 3.91Å; V353-F356 HydrophobicContact CB-CE2 4.13Å; V353-F356 HydrophobicContact CB-CZ 3.64Å; V353-F356 HydrophobicContact CG1-CD1 3.84Å; V353-F356 HydrophobicContact CG1-CD2 4.1Å; V353-F356 HydrophobicContact CG1-CE1 3.64Å; V353-F356 HydrophobicContact CG1-CE2 3.9Å; V353-F356 HydrophobicContact CG1-CG 4.07Å; V353-F356 HydrophobicContact CG1-CZ 3.67Å; V353-F356 HydrophobicContact CG2-CE1 4.06Å; V353-F356 HydrophobicContact CG2-CZ 4.16Å; F356-V358 HydrophobicContact CB-CG2 4.04Å; F356-V386 HydrophobicContact CD2-CG2 4.22Å; F356-V386 HydrophobicContact CE2-CG2 3.98Å; F356-K389 HydrophobicContact CD2-CB 4.14Å; F356-K389 PolarHBondContact N-O 3.03Å; F356-I390 HydrophobicContact CB-CG1 4.41Å; F356-L391 PolarHBondContact O-N 3.48Å
357	L	98.5	Very high	95.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	110.9	166.2	-51.2	179.7	0	0	0	107.3	I330 N331 A332 I333 L355 L391 L417 L422 V425 F434	I330-L357 HydrophobicContact CG2-CD1 3.7Å; I330-L357 HydrophobicContact CG2-CD2 4.31Å; I330-L357 HydrophobicContact CG2-CG 3.68Å; N331-L357 PolarHBondContact O-N 3Å; A332-L357 WeakPolarHBondContact CA-O 3.2Å; A332-L357 HydrophobicContact CB-CB 4.21Å; A332-L357 HydrophobicContact CB-CD1 4.27Å; I333-L357 PolarHBondContact N-O 3.23Å; L355-L357 HydrophobicContact CD1-CD2 4.5Å; L355-L357 HydrophobicContact CD2-CD2 3.75Å; L355-L357 HydrophobicContact CG-CD2 3.95Å; L357-L391 HydrophobicContact CD2-CB 3.9Å; L357-L391 HydrophobicContact CD2-CD1 3.85Å; L357-L391 HydrophobicContact CD2-CD2 4.02Å; L357-L391 HydrophobicContact CD2-CG 4.15Å; L357-L417 HydrophobicContact CB-CD1 3.8Å; L357-L422 HydrophobicContact CD1-CD2 3.94Å; L357-L422 HydrophobicContact CD1-CG 4.22Å; L357-V425 HydrophobicContact CD2-CG2 4.18Å; L357-F434 HydrophobicContact CD1-CE2 4.47Å
358	V	98.3	Very high	95.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	112	-176.5	-171.3	0	0	0	0	108.8	I333 I335 L342 F346 F356 F374 I390 L391 V393	I333-V358 HydrophobicContact CD1-CG2 4.45Å; I333-V358 WeakPolarHBondContact O-CA 3.44Å; I335-V358 HydrophobicContact CB-CG1 4.45Å; I335-V358 HydrophobicContact CG2-CG1 4.09Å; L342-V358 HydrophobicContact CD2-CG1 4.4Å; F346-V358 HydrophobicContact CE1-CG2 4.24Å; F346-V358 HydrophobicContact CZ-CG2 4.02Å; F356-V358 HydrophobicContact CB-CG2 4.04Å; V358-F374 HydrophobicContact CB-CE1 3.71Å; V358-F374 HydrophobicContact CB-CZ 4.05Å; V358-F374 HydrophobicContact CG1-CD1 3.84Å; V358-F374 HydrophobicContact CG1-CE1 3.35Å; V358-F374 HydrophobicContact CG1-CE2 4.37Å; V358-F374 HydrophobicContact CG1-CZ 3.67Å; V358-F374 HydrophobicContact CG2-CE1 4.46Å; V358-F374 HydrophobicContact CG2-CZ 4.32Å; V358-I390 HydrophobicContact CG2-CG2 4.16Å; V358-L391 PolarHBondContact N-O 3.05Å; V358-V393 PolarHBondContact O-N 3.06Å
359	C	97.8	Very high	95.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.3	-179.5	-177.4	0	0	0	0	111.7	I333 N334 I335 V393 L417	I333-C359 PolarHBondContact O-N 3.21Å; N334-C359 WeakPolarHBondContact OD1-CB 3.38Å; I335-C359 PolarHBondContact N-O 3.04Å; C359-V393 VanDerWaalsContact CA-O 3.26Å; C359-V393 WeakPolarHBondContact CA-O 3.32Å; C359-V393 HydrophobicContact CB-CB 3.96Å; C359-V393 HydrophobicContact CB-CG1 4.19Å; C359-L417 HydrophobicContact CB-CB 3.8Å; C359-L417 HydrophobicContact CB-CD1 3.56Å; C359-L417 HydrophobicContact CB-CD2 4.43Å; C359-L417 HydrophobicContact CB-CG 4.09Å
360	E	96.4	Very high	94.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.9	171.5	-176.3	179.7	-142	0	0	109.1	I335 L372 S373 F374 L375 Y392 V393 L395	I335-E360 HydrophobicContact CG2-CB 4.18Å; E360-L372 HydrophobicContact CG-CD2 3.81Å; E360-L372 VanDerWaalsContact OE1-CA 3.27Å; E360-L372 WeakPolarHBondContact OE1-CA 3.26Å; E360-S373 PolarHBondContact OE1-N 2.77Å; E360-F374 HydrophobicContact CB-CB 4.49Å; E360-F374 HydrophobicContact CG-CB 4.38Å; E360-F374 WeakPolarHBondContact OE1-CB 3.33Å; E360-F374 PolarHBondContact OE1-N 3.19Å; E360-L375 PolarHBondContact OE2-N 3.1Å; E360-Y392 HydrophobicContact CB-CE2 3.8Å; E360-Y392 WeakPolarHBondContact OE2-CE2 3.44Å; E360-Y392 PolarHBondContact OE2-OH 3.23Å; E360-V393 PolarHBondContact N-O 3.3Å; E360-L395 PolarHBondContact O-N 2.82Å
361	S	95.1	Very high	94.6	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147	172.7	-179.8	0	0	0	0	110.5	F363 R370 L395	S361-F363 PolarHBondContact O-N 2.69Å; S361-F363 PolarHBondContact OG-N 3.1Å; S361-R370 PolarHBondContact O-NE 2.93Å; S361-R370 PolarHBondContact O-NH2 2.93Å; S361-R370 VanDerWaalsContact O-NH2 3.11Å; S361-L395 VanDerWaalsContact CA-O 3.26Å; S361-L395 WeakPolarHBondContact CA-O 3.22Å; S361-L395 PolarHBondContact OG-O 3.11Å; S361-L395 VanDerWaalsContact OG-O 3.07Å
362	N	94.3	Very high	94.6	Very high	38 Å²	38	31.4 Å²	31.4	20%	0.203	16%	0.16	C	C	.	.	S	Bend	trans	-78.6	11.3	167.2	63.8	-16.6	0	0	0	112.9	K369 R370 L372 F394 L395 D396	N362-K369 CarbonylContact O-C 3.53Å; N362-K369 WeakPolarHBondContact O-CA 3.46Å; N362-R370 PolarHBondContact O-N 3.03Å; N362-L372 HydrophobicContact CB-CD2 3.92Å; N362-L372 HydrophobicContact CB-CG 4.41Å; N362-F394 HydrophobicContact CB-CE2 4.05Å; N362-F394 HydrophobicContact CB-CZ 4.39Å; N362-L395 PolarHBondContact N-O 2.9Å; N362-L395 PolarHBondContact OD1-O 3.02Å; N362-D396 PolarHBondContact ND2-O 3.21Å; N362-D396 PolarHBondContact OD1-O 2.96Å
363	F	94.5	Very high	94.5	Very high	37 Å²	37	32.4 Å²	32.4	16%	0.162	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-119.7	146.2	172.6	-64.2	-84.2	0	0	0	112.2	S361 G367 E368 K369 R370 D396 H397 F398	S361-F363 PolarHBondContact O-N 2.69Å; S361-F363 PolarHBondContact OG-N 3.1Å; F363-G367 VanDerWaalsContact CD1-O 3.29Å; F363-G367 WeakPolarHBondContact CD1-O 3.49Å; F363-E368 CarbonylContact C-O 3.49Å; F363-E368 VanDerWaalsContact CA-O 3.23Å; F363-E368 WeakPolarHBondContact CA-O 3.5Å; F363-K369 HydrophobicContact CD1-CG 4.44Å; F363-K369 HydrophobicContact CE1-CG 4.01Å; F363-R370 WeakPolarHBondContact O-CD 3.26Å; F363-R370 PolarHBondContact O-NE 2.79Å; F363-D396 WeakPolarHBondContact CE2-O 3.46Å; F363-H397 VanDerWaalsContact CE2-CA 3.49Å; F363-F398 HydrophobicContact CB-CB 4.46Å; F363-F398 HydrophobicContact CB-CD2 3.82Å; F363-F398 HydrophobicContact CD1-CB 4.1Å; F363-F398 HydrophobicContact CD2-CB 4.09Å; F363-F398 HydrophobicContact CE1-CB 4.36Å; F363-F398 HydrophobicContact CE2-CB 4.4Å; F363-F398 HydrophobicContact CG-CB 3.94Å; F363-F398 HydrophobicContact CG-CD2 4.22Å
364	T	92	Very high	94.3	Very high	25 Å²	25	32.4 Å²	32.4	15%	0.153	17%	0.167	C	C	.	.			trans	-69.4	167.5	164.6	67.4	0	0	0	0	110	Y366 G367 E368 R370 F398	T364-Y366 PolarHBondContact O-N 2.99Å; T364-Y366 VanDerWaalsContact O-N 3.15Å; T364-Y366 PolarHBondContact OG1-N 2.7Å; T364-G367 PolarHBondContact O-N 2.77Å; T364-G367 PolarHBondContact OG1-N 2.87Å; T364-E368 HydrophobicContact CG2-CB 4.21Å; T364-E368 PolarHBondContact N-O 3Å; T364-E368 PolarHBondContact OG1-N 2.67Å; T364-R370 HydrophobicContact CG2-CB 4.16Å; T364-F398 WeakPolarHBondContact O-CE2 3.48Å
365	A	90	Very high	94.2	Very high	44 Å²	44	31.8 Å²	31.8	36%	0.364	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.1	175.7	0	0	0	0	0	113	S555 Q557	A365-S555 WeakPolarHBondContact CB-O 3.47Å; A365-S555 PolarHBondContact N-O 2.94Å; A365-Q557 HydrophobicContact CB-CB 3.98Å
366	Y	88.2	Confident	94	Very high	72 Å²	72	38 Å²	38	28%	0.282	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-15.1	170.5	-166.4	-95.7	0	0	0	113.8	T364 E368 N558 R563	T364-Y366 PolarHBondContact O-N 2.99Å; T364-Y366 VanDerWaalsContact O-N 3.15Å; T364-Y366 PolarHBondContact OG1-N 2.7Å; Y366-E368 HydrophobicContact CD1-CG 4.11Å; Y366-N558 WeakPolarHBondContact CD2-OD1 3.34Å; Y366-N558 WeakPolarHBondContact CE2-ND2 3.25Å; Y366-N558 WeakPolarHBondContact CE2-OD1 3.41Å; Y366-R563 VanDerWaalsContact CD2-NH1 3.26Å
367	G	91.8	Very high	93.7	Very high	1 Å²	1	38 Å²	38	1%	0.01	19%	0.187	C	C	.	.	S	Bend	trans	96.6	12.5	-178.9	0	0	0	0	0	115.4	F363 T364 R403	F363-G367 VanDerWaalsContact CD1-O 3.29Å; F363-G367 WeakPolarHBondContact CD1-O 3.49Å; T364-G367 PolarHBondContact O-N 2.77Å; T364-G367 PolarHBondContact OG1-N 2.87Å; G367-R403 PolarHBondContact O-NH2 2.72Å
368	E	91.5	Very high	93.5	Very high	93 Å²	93	38.2 Å²	38.2	44%	0.435	19%	0.188	S	C	.	.			trans	-81.5	146.7	172.7	-64.3	-50.1	121.4	0	0	111.4	F363 T364 Y366 R370 R403	F363-E368 CarbonylContact C-O 3.49Å; F363-E368 VanDerWaalsContact CA-O 3.23Å; F363-E368 WeakPolarHBondContact CA-O 3.5Å; T364-E368 HydrophobicContact CG2-CB 4.21Å; T364-E368 PolarHBondContact N-O 3Å; T364-E368 PolarHBondContact OG1-N 2.67Å; Y366-E368 HydrophobicContact CD1-CG 4.11Å; E368-R370 PolarHBondContact O-N 3.21Å; E368-R403 IonicContact OE1-CZ 3.44Å; E368-R403 IonicContact OE1-NH1 3.86Å; E368-R403 PolarHBondContact OE1-NH1 3Å; E368-R403 IonicContact OE1-NH2 3.19Å; E368-R403 PolarHBondContact OE1-NH2 3.16Å; E368-R403 VanDerWaalsContact OE1-NH2 3.16Å
369	K	92.3	Very high	93.3	Very high	177 Å²	177	41.8 Å²	41.8	77%	0.77	21%	0.207	S	C	*	.	B	Isolated β-bridge	trans	-65.1	136.8	178.7	-70.9	-171.8	176.5	-176.3	0	110.9	N362 F363	N362-K369 CarbonylContact O-C 3.53Å; N362-K369 WeakPolarHBondContact O-CA 3.46Å; F363-K369 HydrophobicContact CD1-CG 4.44Å; F363-K369 HydrophobicContact CE1-CG 4.01Å
370	R	90.4	Very high	93.1	Very high	39 Å²	39	45.9 Å²	45.9	15%	0.147	23%	0.229	C	C	.	.			trans	-134	151.8	175.9	70.3	178	-179.4	119.4	0.2	111.8	I335 N336 S361 N362 F363 T364 E368	I335-R370 PolarHBondContact O-NH2 3.22Å; I335-R370 VanDerWaalsContact O-NH2 3.08Å; N336-R370 PolarHBondContact O-NH1 2.85Å; N336-R370 PolarHBondContact OD1-NH1 2.79Å; S361-R370 PolarHBondContact O-NE 2.93Å; S361-R370 PolarHBondContact O-NH2 2.93Å; S361-R370 VanDerWaalsContact O-NH2 3.11Å; N362-R370 PolarHBondContact O-N 3.03Å; F363-R370 WeakPolarHBondContact O-CD 3.26Å; F363-R370 PolarHBondContact O-NE 2.79Å; T364-R370 HydrophobicContact CG2-CB 4.16Å; E368-R370 PolarHBondContact O-N 3.21Å
371	P	91.8	Very high	92.9	Very high	92 Å²	92	46.6 Å²	46.6	60%	0.597	24%	0.236	S	C	*	.			trans	-68	151.5	174.8	29.1	-35	0	0	0	111.7	S373	P371-S373 VanDerWaalsContact C-N 3.32Å; P371-S373 PolarHBondContact O-N 2.6Å; P371-S373 VanDerWaalsContact O-N 3.11Å
372	L	93	Very high	92.8	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.089	24%	0.237	C	C	.	.			trans	-84	73.3	175	-62.2	179.9	0	0	0	110.9	P202 M206 E360 N362 L375 R376 F394	P202-L372 HydrophobicContact CB-CD1 3.76Å; M206-L372 HydrophobicContact CE-CD1 3.63Å; E360-L372 HydrophobicContact CG-CD2 3.81Å; E360-L372 VanDerWaalsContact OE1-CA 3.27Å; E360-L372 WeakPolarHBondContact OE1-CA 3.26Å; N362-L372 HydrophobicContact CB-CD2 3.92Å; N362-L372 HydrophobicContact CB-CG 4.41Å; L372-L375 HydrophobicContact CB-CB 3.84Å; L372-L375 HydrophobicContact CB-CD2 4.23Å; L372-L375 HydrophobicContact CD1-CD2 3.93Å; L372-L375 PolarHBondContact O-N 3.33Å; L372-R376 PolarHBondContact O-N 2.86Å; L372-R376 VanDerWaalsContact O-N 3.11Å; L372-F394 HydrophobicContact CD1-CD2 4.15Å; L372-F394 HydrophobicContact CD1-CE2 3.73Å; L372-F394 HydrophobicContact CD1-CZ 4Å; L372-F394 HydrophobicContact CD2-CD2 4.13Å; L372-F394 HydrophobicContact CD2-CE2 3.77Å; L372-F394 HydrophobicContact CG-CE2 4.36Å
373	S	93.6	Very high	92.9	Very high	21 Å²	21	45 Å²	45	15%	0.147	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-37.9	-177.6	-69.1	0	0	0	0	112.8	E360 P371 R376 L377	E360-S373 PolarHBondContact OE1-N 2.77Å; P371-S373 VanDerWaalsContact C-N 3.32Å; P371-S373 PolarHBondContact O-N 2.6Å; P371-S373 VanDerWaalsContact O-N 3.11Å; S373-R376 WeakPolarHBondContact O-CB 3.39Å; S373-R376 PolarHBondContact O-N 3.07Å; S373-L377 WeakPolarHBondContact O-CG 3.48Å; S373-L377 PolarHBondContact O-N 3.26Å
374	F	95.4	Very high	93	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-45.3	176.6	-179.3	-120.8	0	0	0	111	I335 F339 L342 V358 E360 R376 L377 L378 Y383 I390 Y392	I335-F374 HydrophobicContact CG2-CB 4.07Å; I335-F374 HydrophobicContact CG2-CD1 4.37Å; I335-F374 HydrophobicContact CG2-CG 4.18Å; F339-F374 HydrophobicContact CE1-CB 3.92Å; F339-F374 HydrophobicContact CE1-CD2 4.47Å; L342-F374 HydrophobicContact CD2-CD2 3.77Å; L342-F374 HydrophobicContact CD2-CE2 3.53Å; L342-F374 HydrophobicContact CD2-CZ 4.28Å; V358-F374 HydrophobicContact CB-CE1 3.71Å; V358-F374 HydrophobicContact CB-CZ 4.05Å; V358-F374 HydrophobicContact CG1-CD1 3.84Å; V358-F374 HydrophobicContact CG1-CE1 3.35Å; V358-F374 HydrophobicContact CG1-CE2 4.37Å; V358-F374 HydrophobicContact CG1-CZ 3.67Å; V358-F374 HydrophobicContact CG2-CE1 4.46Å; V358-F374 HydrophobicContact CG2-CZ 4.32Å; E360-F374 HydrophobicContact CB-CB 4.49Å; E360-F374 HydrophobicContact CG-CB 4.38Å; E360-F374 WeakPolarHBondContact OE1-CB 3.33Å; E360-F374 PolarHBondContact OE1-N 3.19Å; F374-R376 VanDerWaalsContact C-N 3.28Å; F374-R376 PolarHBondContact O-N 3.46Å; F374-L377 PolarHBondContact O-N 3.2Å; F374-L378 HydrophobicContact CE1-CD2 4.43Å; F374-L378 WeakPolarHBondContact O-CB 3.41Å; F374-L378 PolarHBondContact O-N 3.3Å; F374-Y383 HydrophobicContact CD2-CD2 4.37Å; F374-Y383 AromaticContact CD2-CE2 3.72Å; F374-Y383 HydrophobicContact CD2-CE2 3.72Å; F374-Y383 AromaticContact CE2-CD2 3.75Å; F374-Y383 HydrophobicContact CE2-CD2 3.75Å; F374-Y383 AromaticContact CE2-CE2 3.42Å; F374-Y383 HydrophobicContact CE2-CE2 3.42Å; F374-Y383 VanDerWaalsContact CE2-CE2 3.42Å; F374-I390 HydrophobicContact CZ-CG2 4.39Å; F374-Y392 AromaticContact CD1-CD2 3.73Å; F374-Y392 HydrophobicContact CD1-CD2 3.73Å; F374-Y392 AromaticContact CD1-CE2 3.72Å; F374-Y392 HydrophobicContact CD1-CE2 3.72Å; F374-Y392 AromaticContact CE1-CD2 3.76Å; F374-Y392 HydrophobicContact CE1-CD2 3.76Å; F374-Y392 HydrophobicContact CE1-CE2 4.24Å
375	L	95.1	Very high	93.2	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-54.2	-45.9	173.2	-179.8	68.9	0	0	0	111.6	M206 L209 E360 L372 L377 L378 L379 Y392	M206-L375 HydrophobicContact CB-CD1 4.46Å; M206-L375 HydrophobicContact CB-CD2 4.16Å; M206-L375 HydrophobicContact CE-CD1 4.3Å; M206-L375 HydrophobicContact CE-CD2 3.52Å; M206-L375 HydrophobicContact CE-CG 4.45Å; M206-L375 HydrophobicContact CG-CD1 4.05Å; M206-L375 HydrophobicContact CG-CD2 4.38Å; L209-L375 HydrophobicContact CD2-CD1 3.75Å; E360-L375 PolarHBondContact OE2-N 3.1Å; L372-L375 HydrophobicContact CB-CB 3.84Å; L372-L375 HydrophobicContact CB-CD2 4.23Å; L372-L375 HydrophobicContact CD1-CD2 3.93Å; L372-L375 PolarHBondContact O-N 3.33Å; L375-L377 VanDerWaalsContact C-N 3.35Å; L375-L377 PolarHBondContact O-N 2.46Å; L375-L378 WeakPolarHBondContact O-CB 3.44Å; L375-L378 PolarHBondContact O-N 3.34Å; L375-L378 VanDerWaalsContact O-N 3.14Å; L375-L379 HydrophobicContact CD1-CD1 4.12Å; L375-L379 HydrophobicContact CD1-CG 4.18Å; L375-L379 HydrophobicContact CG-CD1 4Å; L375-L379 HydrophobicContact CG-CG 4.35Å; L375-L379 WeakPolarHBondContact O-CG 3.34Å; L375-L379 PolarHBondContact O-N 2.68Å; L375-Y392 HydrophobicContact CB-CE2 4.42Å; L375-Y392 HydrophobicContact CD1-CD1 4.35Å; L375-Y392 HydrophobicContact CD1-CE1 3.91Å
376	R	94.3	Very high	93.5	Very high	130 Å²	130	47.9 Å²	47.9	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-58.4	-45.9	178.4	-174.7	-178.9	68.8	174.8	3.4	111.7	L372 S373 F374 L378 L379 N380	L372-R376 PolarHBondContact O-N 2.86Å; L372-R376 VanDerWaalsContact O-N 3.11Å; S373-R376 WeakPolarHBondContact O-CB 3.39Å; S373-R376 PolarHBondContact O-N 3.07Å; F374-R376 VanDerWaalsContact C-N 3.28Å; F374-R376 PolarHBondContact O-N 3.46Å; R376-L378 VanDerWaalsContact C-N 3.32Å; R376-L379 PolarHBondContact O-N 3.13Å; R376-N380 WeakPolarHBondContact O-CB 3.25Å; R376-N380 PolarHBondContact O-N 3.46Å
377	L	94.4	Very high	93.8	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-35	175.9	-66	173.7	0	0	0	112.1	P158 F339 S373 F374 L375 N380 T382 Y383	P158-L377 HydrophobicContact CG-CD2 3.57Å; F339-L377 HydrophobicContact CB-CD1 4.43Å; F339-L377 HydrophobicContact CD1-CD1 3.77Å; F339-L377 HydrophobicContact CD2-CD1 4.23Å; F339-L377 HydrophobicContact CE1-CD1 4.1Å; F339-L377 HydrophobicContact CG-CD1 3.87Å; F339-L377 HydrophobicContact CZ-CD1 4.46Å; S373-L377 WeakPolarHBondContact O-CG 3.48Å; S373-L377 PolarHBondContact O-N 3.26Å; F374-L377 PolarHBondContact O-N 3.2Å; L375-L377 VanDerWaalsContact C-N 3.35Å; L375-L377 PolarHBondContact O-N 2.46Å; L377-N380 WeakPolarHBondContact CA-OD1 3.43Å; L377-N380 PolarHBondContact O-OD1 3.31Å; L377-T382 HydrophobicContact CB-CG2 4.41Å; L377-T382 HydrophobicContact CD2-CG2 4.42Å; L377-T382 WeakPolarHBondContact O-CB 3.44Å; L377-T382 PolarHBondContact O-N 2.99Å; L377-T382 PolarHBondContact O-OG1 3.48Å; L377-Y383 HydrophobicContact CB-CD2 4.17Å; L377-Y383 HydrophobicContact CB-CE2 3.65Å; L377-Y383 HydrophobicContact CD1-CE2 4.24Å
378	L	93.8	Very high	94	Very high	3 Å²	3	54 Å²	54	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-68.6	-37.3	176.3	-173.4	59.8	0	0	0	111.3	L209 F374 L375 R376 R387 I390 Y392	L209-L378 HydrophobicContact CD2-CD2 3.85Å; F374-L378 HydrophobicContact CE1-CD2 4.43Å; F374-L378 WeakPolarHBondContact O-CB 3.41Å; F374-L378 PolarHBondContact O-N 3.3Å; L375-L378 WeakPolarHBondContact O-CB 3.44Å; L375-L378 PolarHBondContact O-N 3.34Å; L375-L378 VanDerWaalsContact O-N 3.14Å; R376-L378 VanDerWaalsContact C-N 3.32Å; L378-R387 HydrophobicContact CD1-CG 4.21Å; L378-R387 PolarHBondContact O-NH1 2.72Å; L378-I390 HydrophobicContact CD1-CD1 4.42Å; L378-Y392 HydrophobicContact CD2-CD2 4.42Å; L378-Y392 HydrophobicContact CD2-CG 4.37Å
379	L	93.3	Very high	94.3	Very high	75 Å²	75	51.5 Å²	51.5	39%	0.393	25%	0.247	S	C	.	.	H	α-helix	trans	-79.6	-29.4	-179.4	-66.6	179.3	0	0	0	113.7	L375 R376 G381	L375-L379 HydrophobicContact CD1-CD1 4.12Å; L375-L379 HydrophobicContact CD1-CG 4.18Å; L375-L379 HydrophobicContact CG-CD1 4Å; L375-L379 HydrophobicContact CG-CG 4.35Å; L375-L379 WeakPolarHBondContact O-CG 3.34Å; L375-L379 PolarHBondContact O-N 2.68Å; R376-L379 PolarHBondContact O-N 3.13Å; L379-G381 VanDerWaalsContact C-N 3.26Å; L379-G381 PolarHBondContact O-N 3Å
380	N	93.1	Very high	94.6	Very high	87 Å²	87	43.9 Å²	43.9	47%	0.465	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	1.1	-178.5	78.7	-4.1	0	0	0	114.4	R376 L377 T382	R376-N380 WeakPolarHBondContact O-CB 3.25Å; R376-N380 PolarHBondContact O-N 3.46Å; L377-N380 WeakPolarHBondContact CA-OD1 3.43Å; L377-N380 PolarHBondContact O-OD1 3.31Å; N380-T382 WeakPolarHBondContact OD1-CB 3.48Å; N380-T382 PolarHBondContact OD1-N 3.44Å; N380-T382 VanDerWaalsContact OD1-N 3.09Å; N380-T382 PolarHBondContact OD1-OG1 3.5Å
381	G	92.7	Very high	94.9	Very high	15 Å²	15	42.3 Å²	42.3	16%	0.155	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	-0.4	175.8	0	0	0	0	0	115.8	L379 Y383 D384	L379-G381 VanDerWaalsContact C-N 3.26Å; L379-G381 PolarHBondContact O-N 3Å; G381-Y383 PolarHBondContact O-N 3.47Å; G381-Y383 VanDerWaalsContact O-N 3.09Å; G381-D384 VanDerWaalsContact CA-CG 3.5Å; G381-D384 VanDerWaalsContact CA-OD2 3.3Å; G381-D384 WeakPolarHBondContact CA-OD2 3.48Å; G381-D384 PolarHBondContact O-N 3.4Å; G381-D384 VanDerWaalsContact O-N 3.14Å
382	T	93.9	Very high	95.2	Very high	10 Å²	10	38 Å²	38	6%	0.061	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-37.9	-179.7	-62.3	0	0	0	0	113.4	P157 L377 N380	P157-T382 HydrophobicContact CB-CG2 3.3Å; P157-T382 HydrophobicContact CG-CG2 3.52Å; L377-T382 HydrophobicContact CB-CG2 4.41Å; L377-T382 HydrophobicContact CD2-CG2 4.42Å; L377-T382 WeakPolarHBondContact O-CB 3.44Å; L377-T382 PolarHBondContact O-N 2.99Å; L377-T382 PolarHBondContact O-OG1 3.48Å; N380-T382 WeakPolarHBondContact OD1-CB 3.48Å; N380-T382 PolarHBondContact OD1-N 3.44Å; N380-T382 VanDerWaalsContact OD1-N 3.09Å; N380-T382 PolarHBondContact OD1-OG1 3.5Å
383	Y	96.1	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	17.4	-175.2	-61	-68.4	0	0	0	113.5	H343 F346 F374 L377 G381 Y385 V386 R387	H343-Y383 HydrophobicContact CB-CE1 4.43Å; H343-Y383 AromaticContact CD2-CE1 3.8Å; F346-Y383 AromaticContact CD2-CD1 3.61Å; F346-Y383 HydrophobicContact CD2-CD1 3.61Å; F346-Y383 AromaticContact CD2-CE1 3.75Å; F346-Y383 HydrophobicContact CD2-CE1 3.75Å; F346-Y383 AromaticContact CE2-CD1 3.6Å; F346-Y383 HydrophobicContact CE2-CD1 3.6Å; F346-Y383 AromaticContact CE2-CE1 3.66Å; F346-Y383 HydrophobicContact CE2-CE1 3.66Å; F346-Y383 HydrophobicContact CE2-CG 4.21Å; F374-Y383 HydrophobicContact CD2-CD2 4.37Å; F374-Y383 AromaticContact CD2-CE2 3.72Å; F374-Y383 HydrophobicContact CD2-CE2 3.72Å; F374-Y383 AromaticContact CE2-CD2 3.75Å; F374-Y383 HydrophobicContact CE2-CD2 3.75Å; F374-Y383 AromaticContact CE2-CE2 3.42Å; F374-Y383 HydrophobicContact CE2-CE2 3.42Å; F374-Y383 VanDerWaalsContact CE2-CE2 3.42Å; L377-Y383 HydrophobicContact CB-CD2 4.17Å; L377-Y383 HydrophobicContact CB-CE2 3.65Å; L377-Y383 HydrophobicContact CD1-CE2 4.24Å; G381-Y383 PolarHBondContact O-N 3.47Å; G381-Y383 VanDerWaalsContact O-N 3.09Å; Y383-Y385 PolarHBondContact O-N 3.28Å; Y383-Y385 VanDerWaalsContact O-N 3.17Å; Y383-V386 CarbonylContact O-C 3.6Å; Y383-V386 WeakPolarHBondContact O-CG1 3.28Å; Y383-V386 PolarHBondContact O-N 2.96Å; Y383-R387 WeakPolarHBondContact O-CA 3.3Å; Y383-R387 WeakPolarHBondContact O-CB 3.32Å; Y383-R387 PolarHBondContact O-N 3.39Å
384	D	95.7	Very high	95.6	Very high	88 Å²	88	37.1 Å²	37.1	47%	0.471	17%	0.174	S	C	.	.	H	α-helix	trans	-59.3	-32.6	-172.8	-80.8	-11.2	0	0	0	113.5	G381 V386 R387	G381-D384 VanDerWaalsContact CA-CG 3.5Å; G381-D384 VanDerWaalsContact CA-OD2 3.3Å; G381-D384 WeakPolarHBondContact CA-OD2 3.48Å; G381-D384 PolarHBondContact O-N 3.4Å; G381-D384 VanDerWaalsContact O-N 3.14Å; D384-V386 PolarHBondContact O-N 3.44Å; D384-R387 PolarHBondContact O-N 2.88Å; D384-R387 WeakPolarHBondContact OD1-CD 3.37Å; D384-R387 IonicContact OD1-NH1 3Å; D384-R387 PolarHBondContact OD1-NH1 3.32Å
385	Y	96.5	Very high	95.6	Very high	77 Å²	77	37.4 Å²	37.4	30%	0.302	18%	0.175	S	C	.	.	H	α-helix	trans	-60.9	-27.7	177	67.7	-94	0	0	0	113.5	H343 F346 H347 Y383 H388	H343-Y385 AromaticContact CD2-CZ 3.96Å; H343-Y385 PolarHBondContact CD2-OH 2.86Å; H343-Y385 AromaticContact NE2-CE1 3.66Å; H343-Y385 AromaticContact NE2-CZ 3.69Å; H343-Y385 PolarHBondContact NE2-OH 3.31Å; F346-Y385 HydrophobicContact CB-CE2 4.39Å; H347-Y385 AromaticContact CD2-CZ 3.98Å; H347-Y385 PolarHBondContact CD2-OH 3.11Å; H347-Y385 AromaticContact CE1-CE2 3.78Å; H347-Y385 AromaticContact CE1-CZ 3.85Å; H347-Y385 AromaticContact NE2-CE2 3.79Å; H347-Y385 AromaticContact NE2-CZ 3.41Å; H347-Y385 PolarHBondContact NE2-OH 3.34Å; H347-Y385 VanDerWaalsContact NE2-OH 3.16Å; Y383-Y385 PolarHBondContact O-N 3.28Å; Y383-Y385 VanDerWaalsContact O-N 3.17Å; Y385-H388 PolarHBondContact O-CE1 3.14Å
386	V	97.3	Very high	95.6	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-119.6	-4.7	-179.2	66.3	0	0	0	0	112.9	F346 F356 Y383 D384 H388 K389 I390	F346-V386 HydrophobicContact CB-CG1 4.05Å; F346-V386 HydrophobicContact CB-CG2 4.27Å; F346-V386 HydrophobicContact CD2-CG1 3.82Å; F346-V386 HydrophobicContact CE2-CG1 4.41Å; F346-V386 HydrophobicContact CG-CG1 3.95Å; F346-V386 HydrophobicContact CG-CG2 4.4Å; F356-V386 HydrophobicContact CD2-CG2 4.22Å; F356-V386 HydrophobicContact CE2-CG2 3.98Å; Y383-V386 CarbonylContact O-C 3.6Å; Y383-V386 WeakPolarHBondContact O-CG1 3.28Å; Y383-V386 PolarHBondContact O-N 2.96Å; D384-V386 PolarHBondContact O-N 3.44Å; V386-H388 PolarHBondContact O-N 3.34Å; V386-K389 HydrophobicContact CG2-CB 4.3Å; V386-K389 WeakPolarHBondContact O-CA 3.44Å; V386-K389 PolarHBondContact O-N 2.78Å; V386-I390 HydrophobicContact CG1-CD1 3.83Å
387	R	94.9	Very high	95.6	Very high	80 Å²	80	38.3 Å²	38.3	30%	0.302	19%	0.187	S	C	.	.	H	α-helix	trans	-51.4	-36.3	-176.7	-179.5	-179.6	-169.4	128.2	9.4	113.4	L378 Y383 D384 K389 I390	L378-R387 HydrophobicContact CD1-CG 4.21Å; L378-R387 PolarHBondContact O-NH1 2.72Å; Y383-R387 WeakPolarHBondContact O-CA 3.3Å; Y383-R387 WeakPolarHBondContact O-CB 3.32Å; Y383-R387 PolarHBondContact O-N 3.39Å; D384-R387 PolarHBondContact O-N 2.88Å; D384-R387 WeakPolarHBondContact OD1-CD 3.37Å; D384-R387 IonicContact OD1-NH1 3Å; D384-R387 PolarHBondContact OD1-NH1 3.32Å; R387-K389 PolarHBondContact O-N 3.14Å; R387-K389 VanDerWaalsContact O-N 3.11Å; R387-I390 PolarHBondContact O-N 3.21Å
388	H	95.7	Very high	95.7	Very high	121 Å²	121	40 Å²	40	56%	0.56	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.6	177.6	69.3	-81.8	0	0	0	114	Y214 Y385 V386	Y214-H388 VanDerWaalsContact CE2-O 3.25Å; Y214-H388 WeakPolarHBondContact CE2-O 3.33Å; Y214-H388 PolarHBondContact OH-O 2.81Å; Y385-H388 PolarHBondContact O-CE1 3.14Å; V386-H388 PolarHBondContact O-N 3.34Å
389	K	97.5	Very high	95.7	Very high	40 Å²	40	40.5 Å²	40.5	17%	0.174	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	2.4	173	-62.4	-169.1	170.8	-163.1	0	113.6	S350 V353 L355 F356 V386 R387	S350-K389 PolarHBondContact O-NZ 3.17Å; V353-K389 PolarHBondContact O-NZ 3.43Å; L355-K389 CarbonylContact C-O 3.54Å; L355-K389 WeakPolarHBondContact CA-O 3.41Å; L355-K389 WeakPolarHBondContact CD1-O 3.2Å; F356-K389 HydrophobicContact CD2-CB 4.14Å; F356-K389 PolarHBondContact N-O 3.03Å; V386-K389 HydrophobicContact CG2-CB 4.3Å; V386-K389 WeakPolarHBondContact O-CA 3.44Å; V386-K389 PolarHBondContact O-N 2.78Å; R387-K389 PolarHBondContact O-N 3.14Å; R387-K389 VanDerWaalsContact O-N 3.11Å
390	I	97.8	Very high	95.8	Very high	17 Å²	17	44.6 Å²	44.6	9%	0.087	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.5	-177.1	-64.3	174.5	0	0	0	109.8	F346 F356 V358 F374 L378 V386 R387	F346-I390 HydrophobicContact CD2-CD1 4.48Å; F346-I390 HydrophobicContact CE1-CD1 4.29Å; F346-I390 HydrophobicContact CE1-CG1 4.41Å; F346-I390 HydrophobicContact CE2-CD1 3.79Å; F346-I390 HydrophobicContact CZ-CD1 3.69Å; F346-I390 HydrophobicContact CZ-CG1 4.22Å; F356-I390 HydrophobicContact CB-CG1 4.41Å; V358-I390 HydrophobicContact CG2-CG2 4.16Å; F374-I390 HydrophobicContact CZ-CG2 4.39Å; L378-I390 HydrophobicContact CD1-CD1 4.42Å; V386-I390 HydrophobicContact CG1-CD1 3.83Å; R387-I390 PolarHBondContact O-N 3.21Å
391	L	97.9	Very high	95.7	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	110	163.9	-176	166.8	0	0	0	107.9	L355 F356 L357 V358 V393 R424 V425	L355-L391 HydrophobicContact CD1-CB 3.82Å; F356-L391 PolarHBondContact O-N 3.48Å; L357-L391 HydrophobicContact CD2-CB 3.9Å; L357-L391 HydrophobicContact CD2-CD1 3.85Å; L357-L391 HydrophobicContact CD2-CD2 4.02Å; L357-L391 HydrophobicContact CD2-CG 4.15Å; V358-L391 PolarHBondContact N-O 3.05Å; L391-V393 HydrophobicContact CD2-CG2 3.53Å; L391-R424 HydrophobicContact CD1-CB 4.14Å; L391-R424 VanDerWaalsContact CD2-CZ 3.42Å; L391-R424 VanDerWaalsContact CD2-NH2 3.27Å; L391-V425 HydrophobicContact CD1-CG2 4.09Å
392	Y	97.6	Very high	95.7	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.9	177.7	179.4	-111.3	0	0	0	110.6	M206 L209 E360 F374 L375 L378 F394 R424	M206-Y392 HydrophobicContact CE-CE1 3.65Å; M206-Y392 HydrophobicContact CG-CE1 4.35Å; M206-Y392 HydrophobicContact SD-CD1 4.46Å; M206-Y392 HydrophobicContact SD-CE1 3.82Å; L209-Y392 HydrophobicContact CD2-CD1 4.12Å; L209-Y392 HydrophobicContact CD2-CG 4.36Å; L209-Y392 HydrophobicContact CG-CD1 4.25Å; E360-Y392 HydrophobicContact CB-CE2 3.8Å; E360-Y392 WeakPolarHBondContact OE2-CE2 3.44Å; E360-Y392 PolarHBondContact OE2-OH 3.23Å; F374-Y392 AromaticContact CD1-CD2 3.73Å; F374-Y392 HydrophobicContact CD1-CD2 3.73Å; F374-Y392 AromaticContact CD1-CE2 3.72Å; F374-Y392 HydrophobicContact CD1-CE2 3.72Å; F374-Y392 AromaticContact CE1-CD2 3.76Å; F374-Y392 HydrophobicContact CE1-CD2 3.76Å; F374-Y392 HydrophobicContact CE1-CE2 4.24Å; L375-Y392 HydrophobicContact CB-CE2 4.42Å; L375-Y392 HydrophobicContact CD1-CD1 4.35Å; L375-Y392 HydrophobicContact CD1-CE1 3.91Å; L378-Y392 HydrophobicContact CD2-CD2 4.42Å; L378-Y392 HydrophobicContact CD2-CG 4.37Å; Y392-F394 HydrophobicContact CD1-CB 4.41Å; Y392-F394 HydrophobicContact CE1-CB 3.7Å; Y392-F394 HydrophobicContact CE1-CG 4.41Å; Y392-R424 PolarHBondContact O-NH1 3.25Å; Y392-R424 PolarHBondContact O-NH2 3.19Å
393	V	97.8	Very high	95.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.8	176.4	-178.5	0	0	0	0	107.9	V358 C359 E360 L391 F416 L417 N420	V358-V393 PolarHBondContact O-N 3.06Å; C359-V393 VanDerWaalsContact CA-O 3.26Å; C359-V393 WeakPolarHBondContact CA-O 3.32Å; C359-V393 HydrophobicContact CB-CB 3.96Å; C359-V393 HydrophobicContact CB-CG1 4.19Å; E360-V393 PolarHBondContact N-O 3.3Å; L391-V393 HydrophobicContact CD2-CG2 3.53Å; V393-F416 HydrophobicContact CG1-CD1 3.9Å; V393-F416 HydrophobicContact CG1-CE1 3.64Å; V393-L417 HydrophobicContact CG2-CD1 4.33Å; V393-N420 HydrophobicContact CG1-CB 4.12Å
394	F	96.7	Very high	95.3	Very high	18 Å²	18	53 Å²	53	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.5	179.7	177.2	-142.4	0	0	0	110.2	I203 M206 H210 N362 L372 Y392 D396 F416	I203-F394 HydrophobicContact CG1-CE1 4.41Å; M206-F394 HydrophobicContact CE-CB 4.2Å; M206-F394 HydrophobicContact CE-CD1 3.56Å; M206-F394 HydrophobicContact CE-CD2 4.23Å; M206-F394 HydrophobicContact CE-CE1 3.93Å; M206-F394 HydrophobicContact CE-CG 3.73Å; M206-F394 HydrophobicContact CE-CZ 4.45Å; M206-F394 HydrophobicContact SD-CB 4.13Å; M206-F394 HydrophobicContact SD-CD1 3.69Å; M206-F394 HydrophobicContact SD-CE1 4.42Å; M206-F394 HydrophobicContact SD-CG 4.09Å; H210-F394 HydrophobicContact CB-CB 3.93Å; N362-F394 HydrophobicContact CB-CE2 4.05Å; N362-F394 HydrophobicContact CB-CZ 4.39Å; L372-F394 HydrophobicContact CD1-CD2 4.15Å; L372-F394 HydrophobicContact CD1-CE2 3.73Å; L372-F394 HydrophobicContact CD1-CZ 4Å; L372-F394 HydrophobicContact CD2-CD2 4.13Å; L372-F394 HydrophobicContact CD2-CE2 3.77Å; L372-F394 HydrophobicContact CG-CE2 4.36Å; Y392-F394 HydrophobicContact CD1-CB 4.41Å; Y392-F394 HydrophobicContact CE1-CB 3.7Å; Y392-F394 HydrophobicContact CE1-CG 4.41Å; F394-D396 HydrophobicContact CD1-CB 4.03Å; F394-D396 HydrophobicContact CE1-CB 3.45Å; F394-D396 VanDerWaalsContact CE1-CB 3.45Å; F394-D396 HydrophobicContact CE2-CB 4.1Å; F394-D396 HydrophobicContact CZ-CB 3.47Å; F394-D396 VanDerWaalsContact CZ-CB 3.47Å; F394-F416 VanDerWaalsContact O-CE1 3.26Å; F394-F416 WeakPolarHBondContact O-CE1 3.41Å; F394-F416 WeakPolarHBondContact O-CZ 3.28Å
395	L	96.1	Very high	95.1	Very high	6 Å²	6	52 Å²	52	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	104	169.5	174.2	57.6	0	0	0	109.6	E360 S361 N362 H397 Y412 L413 F416	E360-L395 PolarHBondContact O-N 2.82Å; S361-L395 VanDerWaalsContact CA-O 3.26Å; S361-L395 WeakPolarHBondContact CA-O 3.22Å; S361-L395 PolarHBondContact OG-O 3.11Å; S361-L395 VanDerWaalsContact OG-O 3.07Å; N362-L395 PolarHBondContact N-O 2.9Å; N362-L395 PolarHBondContact OD1-O 3.02Å; L395-H397 WeakPolarHBondContact CD1-O 3.49Å; L395-H397 WeakPolarHBondContact CG-O 3.48Å; L395-Y412 HydrophobicContact CD1-CD1 4.48Å; L395-Y412 HydrophobicContact CD1-CE1 3.77Å; L395-Y412 HydrophobicContact CD2-CD1 4.27Å; L395-Y412 HydrophobicContact CD2-CE1 4.35Å; L395-L413 HydrophobicContact CD2-CD1 3.65Å; L395-F416 HydrophobicContact CB-CD1 3.83Å; L395-F416 HydrophobicContact CB-CE1 3.82Å; L395-F416 HydrophobicContact CB-CZ 4.49Å; L395-F416 HydrophobicContact CD1-CD1 4.02Å; L395-F416 HydrophobicContact CD1-CD2 3.89Å; L395-F416 HydrophobicContact CD1-CE1 4.15Å; L395-F416 HydrophobicContact CD1-CE2 4.03Å; L395-F416 HydrophobicContact CD1-CG 3.89Å; L395-F416 HydrophobicContact CD1-CZ 4.15Å; L395-F416 HydrophobicContact CG-CD1 4.36Å
396	D	94.2	Very high	94.8	Very high	84 Å²	84	48.3 Å²	48.3	45%	0.449	24%	0.236	S	C	.	.			trans	-93	-0.5	-169.8	68.4	-25.8	0	0	0	115	N362 F363 F394	N362-D396 PolarHBondContact ND2-O 3.21Å; N362-D396 PolarHBondContact OD1-O 2.96Å; F363-D396 WeakPolarHBondContact CE2-O 3.46Å; F394-D396 HydrophobicContact CD1-CB 4.03Å; F394-D396 HydrophobicContact CE1-CB 3.45Å; F394-D396 VanDerWaalsContact CE1-CB 3.45Å; F394-D396 HydrophobicContact CE2-CB 4.1Å; F394-D396 HydrophobicContact CZ-CB 3.47Å; F394-D396 VanDerWaalsContact CZ-CB 3.47Å
397	H	95.2	Very high	94.5	Very high	70 Å²	70	53.7 Å²	53.7	32%	0.324	26%	0.257	S	S	.	.	S	Bend	trans	-137.3	160.3	-178.4	59.1	-81	0	0	0	111.4	F363 L395 Y412	F363-H397 VanDerWaalsContact CE2-CA 3.49Å; L395-H397 WeakPolarHBondContact CD1-O 3.49Å; L395-H397 WeakPolarHBondContact CG-O 3.48Å; H397-Y412 AromaticContact NE2-CE1 3.56Å; H397-Y412 AromaticContact NE2-CZ 3.59Å; H397-Y412 PolarHBondContact NE2-OH 3.3Å
398	F	95.4	Very high	94.4	Very high	37 Å²	37	53.2 Å²	53.2	16%	0.162	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-102	136	172.5	-164	-104.5	0	0	0	109	F363 T364 G402 R403 A409	F363-F398 HydrophobicContact CB-CB 4.46Å; F363-F398 HydrophobicContact CB-CD2 3.82Å; F363-F398 HydrophobicContact CD1-CB 4.1Å; F363-F398 HydrophobicContact CD2-CB 4.09Å; F363-F398 HydrophobicContact CE1-CB 4.36Å; F363-F398 HydrophobicContact CE2-CB 4.4Å; F363-F398 HydrophobicContact CG-CB 3.94Å; F363-F398 HydrophobicContact CG-CD2 4.22Å; T364-F398 WeakPolarHBondContact O-CE2 3.48Å; F398-G402 VanDerWaalsContact CE1-C 3.46Å; F398-R403 HydrophobicContact CD1-CG 4.1Å; F398-R403 HydrophobicContact CE1-CB 4.5Å; F398-R403 HydrophobicContact CE1-CG 3.66Å; F398-A409 HydrophobicContact CE1-CB 4.39Å; F398-A409 HydrophobicContact CE2-CB 3.81Å; F398-A409 HydrophobicContact CZ-CB 3.56Å
399	P	95.4	Very high	94.3	Very high	15 Å²	15	47.9 Å²	47.9	10%	0.097	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-68	142.4	-174.3	25.4	-32.3	0	0	0	112.1	G401 G402 I408 A409 Y412	P399-G401 PolarHBondContact O-N 3.29Å; P399-G402 PolarHBondContact O-N 3.03Å; P399-I408 HydrophobicContact CB-CG2 4.33Å; P399-A409 HydrophobicContact CG-CB 4.09Å; P399-Y412 HydrophobicContact CB-CD1 3.79Å; P399-Y412 HydrophobicContact CB-CD2 4.36Å; P399-Y412 HydrophobicContact CB-CE1 4.43Å; P399-Y412 HydrophobicContact CB-CG 3.76Å; P399-Y412 HydrophobicContact CG-CD1 3.92Å; P399-Y412 HydrophobicContact CG-CG 4.04Å
400	D	94.3	Very high	94.1	Very high	160 Å²	160	47.8 Å²	47.8	86%	0.856	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	136.9	172.9	-66.5	-33.5	0	0	0	110.4	G402	D400-G402 PolarHBondContact O-N 3.23Å
401	G	92.1	Very high	94	Very high	30 Å²	30	49.1 Å²	49.1	31%	0.309	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-15.1	-175.4	0	0	0	0	0	114.7	P399 R403 Q404 D405	P399-G401 PolarHBondContact O-N 3.29Å; G401-R403 PolarHBondContact O-N 2.85Å; G401-R403 VanDerWaalsContact O-N 3.15Å; G401-Q404 WeakPolarHBondContact O-CB 3.42Å; G401-Q404 PolarHBondContact O-N 3.03Å; G401-Q404 PolarHBondContact O-OE1 2.78Å; G401-Q404 VanDerWaalsContact O-OE1 3.11Å; G401-D405 PolarHBondContact O-N 2.9Å
402	G	92.4	Very high	93.9	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.7	-176.3	0	0	0	0	0	114.8	F398 P399 D400 D405 G406	F398-G402 VanDerWaalsContact CE1-C 3.46Å; P399-G402 PolarHBondContact O-N 3.03Å; D400-G402 PolarHBondContact O-N 3.23Å; G402-D405 WeakPolarHBondContact CA-O 3.4Å; G402-D405 CarbonylContact O-C 3.57Å; G402-G406 PolarHBondContact O-N 3.15Å
403	R	90.3	Very high	93.8	Very high	105 Å²	105	54 Å²	54	40%	0.396	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-27.8	176	-72.1	-171.3	175.2	-101.6	12.1	111.3	G367 E368 F398 G401 N558	G367-R403 PolarHBondContact O-NH2 2.72Å; E368-R403 IonicContact OE1-CZ 3.44Å; E368-R403 IonicContact OE1-NH1 3.86Å; E368-R403 PolarHBondContact OE1-NH1 3Å; E368-R403 IonicContact OE1-NH2 3.19Å; E368-R403 PolarHBondContact OE1-NH2 3.16Å; E368-R403 VanDerWaalsContact OE1-NH2 3.16Å; F398-R403 HydrophobicContact CD1-CG 4.1Å; F398-R403 HydrophobicContact CE1-CB 4.5Å; F398-R403 HydrophobicContact CE1-CG 3.66Å; G401-R403 PolarHBondContact O-N 2.85Å; G401-R403 VanDerWaalsContact O-N 3.15Å; R403-N558 PolarHBondContact O-ND2 2.89Å
404	Q	90.8	Very high	93.7	Very high	154 Å²	154	55 Å²	55	72%	0.72	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-38	178.3	-64.7	77	8.9	0	0	110.7	G401	G401-Q404 WeakPolarHBondContact O-CB 3.42Å; G401-Q404 PolarHBondContact O-N 3.03Å; G401-Q404 PolarHBondContact O-OE1 2.78Å; G401-Q404 VanDerWaalsContact O-OE1 3.11Å
405	D	90.7	Very high	93.8	Very high	65 Å²	65	55 Å²	55	35%	0.348	27%	0.272	S	S	.	.			trans	-135	103.5	176.3	-176.8	0.6	0	0	0	109.9	G401 G402 W407 I408	G401-D405 PolarHBondContact O-N 2.9Å; G402-D405 WeakPolarHBondContact CA-O 3.4Å; G402-D405 CarbonylContact O-C 3.57Å; D405-W407 PolarHBondContact O-N 2.8Å; D405-W407 VanDerWaalsContact OD1-CB 3.3Å; D405-W407 WeakPolarHBondContact OD1-CB 3.39Å; D405-W407 VanDerWaalsContact OD1-CD1 3.24Å; D405-W407 PolarHBondContact OD1-N 2.93Å; D405-I408 HydrophobicContact CB-CD1 3.89Å; D405-I408 HydrophobicContact CB-CG1 4.03Å; D405-I408 VanDerWaalsContact O-CB 3.27Å; D405-I408 WeakPolarHBondContact O-CB 3.03Å; D405-I408 PolarHBondContact O-N 2.88Å
406	G	90.1	Very high	93.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-27	180	0	0	0	0	0	112.7	G402 I408 A409 D410 Q557 N558	G402-G406 PolarHBondContact O-N 3.15Å; G406-I408 PolarHBondContact O-N 3.13Å; G406-A409 WeakPolarHBondContact O-CA 3.42Å; G406-A409 WeakPolarHBondContact O-CB 3.42Å; G406-A409 PolarHBondContact O-N 2.95Å; G406-D410 PolarHBondContact O-N 3.41Å; G406-Q557 PolarHBondContact O-OE1 3.47Å; G406-N558 VanDerWaalsContact CA-O 3.25Å; G406-N558 WeakPolarHBondContact CA-O 3.34Å; G406-N558 PolarHBondContact N-O 3.08Å
407	W	91.3	Very high	94	Very high	116 Å²	116	52.1 Å²	52.1	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-29.5	175	-63.6	112.4	0	0	0	112.3	D405 D411 R504	D405-W407 PolarHBondContact O-N 2.8Å; D405-W407 VanDerWaalsContact OD1-CB 3.3Å; D405-W407 WeakPolarHBondContact OD1-CB 3.39Å; D405-W407 VanDerWaalsContact OD1-CD1 3.24Å; D405-W407 PolarHBondContact OD1-N 2.93Å; W407-D411 VanDerWaalsContact O-CB 3.24Å; W407-D411 WeakPolarHBondContact O-CB 3.38Å; W407-D411 VanDerWaalsContact O-CG 3.26Å; W407-D411 PolarHBondContact O-N 3.35Å; W407-R504 VanDerWaalsContact CZ3-NH2 3.31Å
408	I	94.3	Very high	94.2	Very high	69 Å²	69	48.8 Å²	48.8	35%	0.354	24%	0.24	S	C	.	.	H	α-helix	trans	-64	-44	171.5	-60.5	175.3	0	0	0	109.8	P399 D405 G406 Y412	P399-I408 HydrophobicContact CB-CG2 4.33Å; D405-I408 HydrophobicContact CB-CD1 3.89Å; D405-I408 HydrophobicContact CB-CG1 4.03Å; D405-I408 VanDerWaalsContact O-CB 3.27Å; D405-I408 WeakPolarHBondContact O-CB 3.03Å; D405-I408 PolarHBondContact O-N 2.88Å; G406-I408 PolarHBondContact O-N 3.13Å; I408-Y412 WeakPolarHBondContact O-CB 3.18Å; I408-Y412 PolarHBondContact O-N 3.18Å
409	A	93.6	Very high	94.3	Very high	10 Å²	10	53 Å²	53	8%	0.083	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-45	178.4	0	0	0	0	0	112.4	F398 P399 G406 Y412 L413	F398-A409 HydrophobicContact CE1-CB 4.39Å; F398-A409 HydrophobicContact CE2-CB 3.81Å; F398-A409 HydrophobicContact CZ-CB 3.56Å; P399-A409 HydrophobicContact CG-CB 4.09Å; G406-A409 WeakPolarHBondContact O-CA 3.42Å; G406-A409 WeakPolarHBondContact O-CB 3.42Å; G406-A409 PolarHBondContact O-N 2.95Å; A409-Y412 PolarHBondContact O-N 3.2Å; A409-L413 WeakPolarHBondContact O-CB 2.99Å; A409-L413 PolarHBondContact O-N 3.37Å
410	D	92.5	Very high	94.4	Very high	37 Å²	37	54.4 Å²	54.4	20%	0.198	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-41.8	177.7	-176.5	69.5	0	0	0	112.9	G406 R414 R504 Q557	G406-D410 PolarHBondContact O-N 3.41Å; D410-R414 PolarHBondContact O-NH1 2.87Å; D410-R414 IonicContact OD1-CZ 2.85Å; D410-R414 IonicContact OD1-NH1 3.96Å; D410-R414 PolarHBondContact OD1-NH1 2.77Å; D410-R414 IonicContact OD1-NH2 2.99Å; D410-R414 IonicContact OD2-CZ 3.37Å; D410-R414 IonicContact OD2-NH1 2.86Å; D410-R414 PolarHBondContact OD2-NH1 3.47Å; D410-R504 IonicContact OD2-CZ 3.82Å; D410-R504 IonicContact OD2-NH2 3.93Å; D410-R504 PolarHBondContact OD2-NH2 3.33Å; D410-Q557 VanDerWaalsContact CB-OE1 3.28Å
411	D	95.1	Very high	94.5	Very high	45 Å²	45	46.8 Å²	46.8	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-68.8	-44.7	176.9	-78.4	-6.9	0	0	0	111.7	W407 L413 R414 T415 I500 R504	W407-D411 VanDerWaalsContact O-CB 3.24Å; W407-D411 WeakPolarHBondContact O-CB 3.38Å; W407-D411 VanDerWaalsContact O-CG 3.26Å; W407-D411 PolarHBondContact O-N 3.35Å; D411-L413 VanDerWaalsContact C-N 3.3Å; D411-L413 PolarHBondContact O-N 3.17Å; D411-R414 PolarHBondContact O-N 2.74Å; D411-T415 WeakPolarHBondContact O-CB 3.27Å; D411-T415 PolarHBondContact O-N 2.84Å; D411-T415 PolarHBondContact O-OG1 2.89Å; D411-I500 HydrophobicContact CB-CD1 4.46Å; D411-I500 HydrophobicContact CB-CG1 3.98Å; D411-I500 WeakPolarHBondContact OD1-CD1 3.48Å; D411-I500 WeakPolarHBondContact OD1-CG1 3.39Å; D411-R504 WeakPolarHBondContact OD1-CD 3.26Å; D411-R504 IonicContact OD1-CZ 3.47Å; D411-R504 IonicContact OD1-NE 3.4Å; D411-R504 PolarHBondContact OD1-NE 2.95Å; D411-R504 IonicContact OD1-NH1 3.55Å; D411-R504 PolarHBondContact OD1-NH1 2.72Å; D411-R504 IonicContact OD1-NH2 2.79Å; D411-R504 PolarHBondContact OD1-NH2 2.73Å; D411-R504 VanDerWaalsContact OD1-NH2 3.1Å; D411-R504 IonicContact OD2-CZ 3.09Å; D411-R504 IonicContact OD2-NH1 3.64Å; D411-R504 PolarHBondContact OD2-NH1 2.94Å
412	Y	96.3	Very high	94.8	Very high	70 Å²	70	47 Å²	47	28%	0.275	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-37.9	-179.1	-173	-101.8	0	0	0	111.6	L395 H397 P399 I408 A409 R414 T415 F416	L395-Y412 HydrophobicContact CD1-CD1 4.48Å; L395-Y412 HydrophobicContact CD1-CE1 3.77Å; L395-Y412 HydrophobicContact CD2-CD1 4.27Å; L395-Y412 HydrophobicContact CD2-CE1 4.35Å; H397-Y412 AromaticContact NE2-CE1 3.56Å; H397-Y412 AromaticContact NE2-CZ 3.59Å; H397-Y412 PolarHBondContact NE2-OH 3.3Å; P399-Y412 HydrophobicContact CB-CD1 3.79Å; P399-Y412 HydrophobicContact CB-CD2 4.36Å; P399-Y412 HydrophobicContact CB-CE1 4.43Å; P399-Y412 HydrophobicContact CB-CG 3.76Å; P399-Y412 HydrophobicContact CG-CD1 3.92Å; P399-Y412 HydrophobicContact CG-CG 4.04Å; I408-Y412 WeakPolarHBondContact O-CB 3.18Å; I408-Y412 PolarHBondContact O-N 3.18Å; A409-Y412 PolarHBondContact O-N 3.2Å; Y412-R414 VanDerWaalsContact C-N 3.33Å; Y412-R414 PolarHBondContact O-N 3.21Å; Y412-T415 WeakPolarHBondContact O-CB 3.04Å; Y412-T415 PolarHBondContact O-N 3.28Å; Y412-F416 HydrophobicContact CD1-CB 4.46Å; Y412-F416 HydrophobicContact CE1-CB 4.1Å; Y412-F416 HydrophobicContact CE1-CD2 4.23Å; Y412-F416 HydrophobicContact CE1-CG 4.46Å; Y412-F416 VanDerWaalsContact O-CB 3.3Å; Y412-F416 WeakPolarHBondContact O-CB 3.14Å; Y412-F416 PolarHBondContact O-N 2.81Å
413	L	95.2	Very high	95	Very high	43 Å²	43	50.5 Å²	50.5	23%	0.225	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-45.9	177.5	-173.2	68.3	0	0	0	111.6	N334 L395 A409 D411 L417	N334-L413 HydrophobicContact CB-CD2 3.76Å; N334-L413 HydrophobicContact CB-CG 4.2Å; N334-L413 VanDerWaalsContact CG-CG 3.49Å; N334-L413 WeakPolarHBondContact ND2-CG 3.03Å; L395-L413 HydrophobicContact CD2-CD1 3.65Å; A409-L413 WeakPolarHBondContact O-CB 2.99Å; A409-L413 PolarHBondContact O-N 3.37Å; D411-L413 VanDerWaalsContact C-N 3.3Å; D411-L413 PolarHBondContact O-N 3.17Å; L413-L417 VanDerWaalsContact O-CB 3.3Å; L413-L417 WeakPolarHBondContact O-CB 3.25Å; L413-L417 PolarHBondContact O-N 3.16Å
414	R	96.3	Very high	95.4	Very high	19 Å²	19	46.3 Å²	46.3	7%	0.072	22%	0.222	C	C	.	.	H	α-helix	trans	-72.2	-35.1	176.9	-69.5	-179.4	-172.3	76.8	-10.5	112.6	N334 D410 D411 Y412 T418 I436 D438 I500	N334-R414 WeakPolarHBondContact ND2-CG 3.47Å; D410-R414 PolarHBondContact O-NH1 2.87Å; D410-R414 IonicContact OD1-CZ 2.85Å; D410-R414 IonicContact OD1-NH1 3.96Å; D410-R414 PolarHBondContact OD1-NH1 2.77Å; D410-R414 IonicContact OD1-NH2 2.99Å; D410-R414 IonicContact OD2-CZ 3.37Å; D410-R414 IonicContact OD2-NH1 2.86Å; D410-R414 PolarHBondContact OD2-NH1 3.47Å; D411-R414 PolarHBondContact O-N 2.74Å; Y412-R414 VanDerWaalsContact C-N 3.33Å; Y412-R414 PolarHBondContact O-N 3.21Å; R414-T418 WeakPolarHBondContact O-CB 3.26Å; R414-T418 PolarHBondContact O-N 3.14Å; R414-T418 VanDerWaalsContact O-N 3.09Å; R414-T418 PolarHBondContact O-OG1 2.81Å; R414-I436 HydrophobicContact CB-CD1 4.02Å; R414-I436 HydrophobicContact CG-CD1 4.02Å; R414-D438 IonicContact CZ-OD1 3.59Å; R414-D438 IonicContact NE-OD1 3.66Å; R414-D438 PolarHBondContact NE-OD1 3.5Å; R414-D438 IonicContact NH2-OD1 2.75Å; R414-D438 PolarHBondContact NH2-OD1 3.3Å; R414-D438 IonicContact NH2-OD2 3.49Å; R414-D438 PolarHBondContact NH2-OD2 2.68Å; R414-I500 HydrophobicContact CB-CB 4.09Å; R414-I500 HydrophobicContact CB-CD1 4.11Å; R414-I500 HydrophobicContact CG-CD1 4.38Å
415	T	97.6	Very high	95.7	Very high	19 Å²	19	39.6 Å²	39.6	12%	0.117	19%	0.192	C	C	.	.	H	α-helix	trans	-61.1	-49.9	173.9	-56.8	0	0	0	0	110.9	D411 Y412 T418 R419 D498 I500	D411-T415 WeakPolarHBondContact O-CB 3.27Å; D411-T415 PolarHBondContact O-N 2.84Å; D411-T415 PolarHBondContact O-OG1 2.89Å; Y412-T415 WeakPolarHBondContact O-CB 3.04Å; Y412-T415 PolarHBondContact O-N 3.28Å; T415-T418 PolarHBondContact O-N 2.85Å; T415-R419 WeakPolarHBondContact O-CB 3.3Å; T415-R419 WeakPolarHBondContact O-CG 3.31Å; T415-R419 PolarHBondContact O-N 2.95Å; T415-D498 WeakPolarHBondContact CA-OD1 3.49Å; T415-D498 PolarHBondContact OG1-OD1 3.03Å; T415-I500 WeakPolarHBondContact OG1-CG2 3.42Å
416	F	98.1	Very high	96.1	Very high	30 Å²	30	41.2 Å²	41.2	13%	0.132	20%	0.196	C	C	.	.	H	α-helix	trans	-65.4	-49.3	-179.2	-175.5	-90	0	0	0	111.4	V393 F394 L395 Y412 T418 R419 N420	V393-F416 HydrophobicContact CG1-CD1 3.9Å; V393-F416 HydrophobicContact CG1-CE1 3.64Å; F394-F416 VanDerWaalsContact O-CE1 3.26Å; F394-F416 WeakPolarHBondContact O-CE1 3.41Å; F394-F416 WeakPolarHBondContact O-CZ 3.28Å; L395-F416 HydrophobicContact CB-CD1 3.83Å; L395-F416 HydrophobicContact CB-CE1 3.82Å; L395-F416 HydrophobicContact CB-CZ 4.49Å; L395-F416 HydrophobicContact CD1-CD1 4.02Å; L395-F416 HydrophobicContact CD1-CD2 3.89Å; L395-F416 HydrophobicContact CD1-CE1 4.15Å; L395-F416 HydrophobicContact CD1-CE2 4.03Å; L395-F416 HydrophobicContact CD1-CG 3.89Å; L395-F416 HydrophobicContact CD1-CZ 4.15Å; L395-F416 HydrophobicContact CG-CD1 4.36Å; Y412-F416 HydrophobicContact CD1-CB 4.46Å; Y412-F416 HydrophobicContact CE1-CB 4.1Å; Y412-F416 HydrophobicContact CE1-CD2 4.23Å; Y412-F416 HydrophobicContact CE1-CG 4.46Å; Y412-F416 VanDerWaalsContact O-CB 3.3Å; Y412-F416 WeakPolarHBondContact O-CB 3.14Å; Y412-F416 PolarHBondContact O-N 2.81Å; F416-T418 PolarHBondContact O-N 3.09Å; F416-R419 PolarHBondContact O-N 2.91Å; F416-N420 HydrophobicContact CD1-CB 4.28Å; F416-N420 HydrophobicContact CE1-CB 4.01Å; F416-N420 HydrophobicContact CE2-CB 4.4Å; F416-N420 HydrophobicContact CZ-CB 4.08Å; F416-N420 WeakPolarHBondContact O-CB 3.06Å; F416-N420 PolarHBondContact O-N 3.09Å
417	L	98.1	Very high	96.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-48.7	-49.2	174	163.6	62.8	0	0	0	111.2	A332 N334 L357 C359 V393 L413 G421 I436	A332-L417 HydrophobicContact CB-CD1 4.23Å; A332-L417 HydrophobicContact CB-CD2 3.85Å; A332-L417 HydrophobicContact CB-CG 4.08Å; N334-L417 VanDerWaalsContact OD1-CD2 3.25Å; N334-L417 WeakPolarHBondContact OD1-CD2 3.22Å; L357-L417 HydrophobicContact CB-CD1 3.8Å; C359-L417 HydrophobicContact CB-CB 3.8Å; C359-L417 HydrophobicContact CB-CD1 3.56Å; C359-L417 HydrophobicContact CB-CD2 4.43Å; C359-L417 HydrophobicContact CB-CG 4.09Å; V393-L417 HydrophobicContact CG2-CD1 4.33Å; L413-L417 VanDerWaalsContact O-CB 3.3Å; L413-L417 WeakPolarHBondContact O-CB 3.25Å; L413-L417 PolarHBondContact O-N 3.16Å; L417-G421 WeakPolarHBondContact O-CA 3.33Å; L417-G421 PolarHBondContact O-N 2.94Å; L417-I436 HydrophobicContact CD2-CD1 4.45Å
418	T	97.8	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.5	-52.5	-176.2	-50.6	0	0	0	0	111.4	R414 T415 F416 L422 F434 L491 G497 G499	R414-T418 WeakPolarHBondContact O-CB 3.26Å; R414-T418 PolarHBondContact O-N 3.14Å; R414-T418 VanDerWaalsContact O-N 3.09Å; R414-T418 PolarHBondContact O-OG1 2.81Å; T415-T418 PolarHBondContact O-N 2.85Å; F416-T418 PolarHBondContact O-N 3.09Å; T418-L422 HydrophobicContact CG2-CD1 3.68Å; T418-L422 HydrophobicContact CG2-CG 4.38Å; T418-L422 VanDerWaalsContact O-CB 3.23Å; T418-L422 WeakPolarHBondContact O-CB 3.46Å; T418-L422 WeakPolarHBondContact O-CG 3.38Å; T418-L422 PolarHBondContact O-N 3.24Å; T418-F434 HydrophobicContact CG2-CE1 4.42Å; T418-F434 HydrophobicContact CG2-CE2 4.15Å; T418-F434 HydrophobicContact CG2-CZ 3.75Å; T418-L491 HydrophobicContact CG2-CD2 4.05Å; T418-G497 VanDerWaalsContact CG2-O 3.24Å; T418-G497 WeakPolarHBondContact CG2-O 3.45Å; T418-G499 WeakPolarHBondContact OG1-CA 3.49Å; T418-G499 PolarHBondContact OG1-N 3.11Å
419	R	97.7	Very high	96.8	Very high	125 Å²	125	39.6 Å²	39.6	47%	0.472	21%	0.209	S	C	.	.	H	α-helix	trans	-67.6	-50.3	-175	-71.7	-178.6	169.3	-177.8	-6.8	112.1	T415 F416 S423 D496	T415-R419 WeakPolarHBondContact O-CB 3.3Å; T415-R419 WeakPolarHBondContact O-CG 3.31Å; T415-R419 PolarHBondContact O-N 2.95Å; F416-R419 PolarHBondContact O-N 2.91Å; R419-S423 VanDerWaalsContact O-CB 3.26Å; R419-S423 WeakPolarHBondContact O-CB 3.46Å; R419-S423 PolarHBondContact O-N 3.45Å; R419-S423 VanDerWaalsContact O-N 3.12Å; R419-S423 PolarHBondContact O-OG 3.35Å; R419-D496 IonicContact NH2-OD2 3.51Å; R419-D496 PolarHBondContact NH2-OD2 2.77Å
420	N	97.7	Very high	96.9	Very high	44 Å²	44	42.2 Å²	42.2	24%	0.235	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-49.9	178.3	-176.2	-78.3	0	0	0	110.6	V393 F416 S423 R424	V393-N420 HydrophobicContact CG1-CB 4.12Å; F416-N420 HydrophobicContact CD1-CB 4.28Å; F416-N420 HydrophobicContact CE1-CB 4.01Å; F416-N420 HydrophobicContact CE2-CB 4.4Å; F416-N420 HydrophobicContact CZ-CB 4.08Å; F416-N420 WeakPolarHBondContact O-CB 3.06Å; F416-N420 PolarHBondContact O-N 3.09Å; N420-S423 PolarHBondContact O-N 3.08Å; N420-S423 PolarHBondContact O-OG 3.32Å; N420-R424 PolarHBondContact OD1-NE 3.22Å; N420-R424 PolarHBondContact OD1-NH2 2.96Å
421	G	97.3	Very high	97.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-54.1	-178.2	0	0	0	0	0	112.1	L417 S423 R424 V425	L417-G421 WeakPolarHBondContact O-CA 3.33Å; L417-G421 PolarHBondContact O-N 2.94Å; G421-S423 PolarHBondContact O-N 2.95Å; G421-R424 PolarHBondContact O-N 3.46Å; G421-V425 WeakPolarHBondContact O-CG2 3.13Å
422	L	97.9	Very high	97.3	Very high	36 Å²	36	40.1 Å²	40.1	19%	0.188	22%	0.215	C	C	.	.	H	α-helix	trans	-68.6	-30.9	-178	-66.8	178.7	0	0	0	113.6	I330 L357 T418 R424 V425 F434 L488 L491	I330-L422 HydrophobicContact CD1-CD2 4.01Å; I330-L422 HydrophobicContact CG2-CD2 4.31Å; L357-L422 HydrophobicContact CD1-CD2 3.94Å; L357-L422 HydrophobicContact CD1-CG 4.22Å; T418-L422 HydrophobicContact CG2-CD1 3.68Å; T418-L422 HydrophobicContact CG2-CG 4.38Å; T418-L422 VanDerWaalsContact O-CB 3.23Å; T418-L422 WeakPolarHBondContact O-CB 3.46Å; T418-L422 WeakPolarHBondContact O-CG 3.38Å; T418-L422 PolarHBondContact O-N 3.24Å; L422-R424 PolarHBondContact O-N 2.97Å; L422-V425 HydrophobicContact CD2-CG2 4.43Å; L422-V425 PolarHBondContact O-N 3.34Å; L422-V425 VanDerWaalsContact O-N 3.08Å; L422-F434 HydrophobicContact CD1-CD2 4.21Å; L422-F434 HydrophobicContact CD1-CE2 4.14Å; L422-F434 HydrophobicContact CD2-CD2 4.3Å; L422-F434 HydrophobicContact CD2-CE2 4.43Å; L422-F434 HydrophobicContact CG-CE2 4.44Å; L422-L488 HydrophobicContact CD1-CD2 4.06Å; L422-L488 HydrophobicContact CD2-CD2 4.1Å; L422-L491 HydrophobicContact CD1-CD2 3.48Å; L422-L491 VanDerWaalsContact CD1-CD2 3.48Å
423	S	97.3	Very high	97.4	Very high	73 Å²	73	36.8 Å²	36.8	51%	0.51	20%	0.202	S	C	.	.	H	α-helix	trans	-60.7	-26.1	176.1	74.1	0	0	0	0	113.3	R419 N420 G421 K426	R419-S423 VanDerWaalsContact O-CB 3.26Å; R419-S423 WeakPolarHBondContact O-CB 3.46Å; R419-S423 PolarHBondContact O-N 3.45Å; R419-S423 VanDerWaalsContact O-N 3.12Å; R419-S423 PolarHBondContact O-OG 3.35Å; N420-S423 PolarHBondContact O-N 3.08Å; N420-S423 PolarHBondContact O-OG 3.32Å; G421-S423 PolarHBondContact O-N 2.95Å; S423-K426 PolarHBondContact O-NZ 3.47Å
424	R	97.6	Very high	97.6	Very high	17 Å²	17	34.7 Å²	34.7	6%	0.064	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-5	179.5	-67.9	-169.7	-68.1	136.7	-14.8	113.5	H210 R212 S213 Y214 L391 Y392 N420 G421 L422	H210-R424 PolarHBondContact O-NH1 3.17Å; H210-R424 PolarHBondContact O-NH2 2.89Å; R212-R424 PolarHBondContact O-NH1 2.84Å; S213-R424 CarbonylContact C-O 3.14Å; S213-R424 VanDerWaalsContact CA-O 3.3Å; S213-R424 WeakPolarHBondContact CA-O 3.27Å; Y214-R424 PolarHBondContact N-O 3.23Å; L391-R424 HydrophobicContact CD1-CB 4.14Å; L391-R424 VanDerWaalsContact CD2-CZ 3.42Å; L391-R424 VanDerWaalsContact CD2-NH2 3.27Å; Y392-R424 PolarHBondContact O-NH1 3.25Å; Y392-R424 PolarHBondContact O-NH2 3.19Å; N420-R424 PolarHBondContact OD1-NE 3.22Å; N420-R424 PolarHBondContact OD1-NH2 2.96Å; G421-R424 PolarHBondContact O-N 3.46Å; L422-R424 PolarHBondContact O-N 2.97Å
425	V	98.1	Very high	97.7	Very high	13 Å²	13	33.8 Å²	33.8	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122	174.4	-174.4	0	0	0	0	109.8	L216 I330 L355 L357 L391 G421 L422 A428	L216-V425 HydrophobicContact CB-CG1 3.98Å; L216-V425 HydrophobicContact CD2-CG1 4.32Å; I330-V425 HydrophobicContact CD1-CG1 4.44Å; L355-V425 HydrophobicContact CD2-CB 4.48Å; L355-V425 HydrophobicContact CD2-CG1 4.08Å; L355-V425 HydrophobicContact CD2-CG2 3.52Å; L357-V425 HydrophobicContact CD2-CG2 4.18Å; L391-V425 HydrophobicContact CD1-CG2 4.09Å; G421-V425 WeakPolarHBondContact O-CG2 3.13Å; L422-V425 HydrophobicContact CD2-CG2 4.43Å; L422-V425 PolarHBondContact O-N 3.34Å; L422-V425 VanDerWaalsContact O-N 3.08Å; V425-A428 HydrophobicContact CG1-CB 4.11Å
426	K	97.8	Very high	97.8	Very high	99 Å²	99	33 Å²	33	43%	0.43	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	145.3	176.8	-55.6	-54.2	-177.3	-164	0	110.3	Y214 Q215 L216 S423 A428	Y214-K426 PolarHBondContact O-N 3.45Å; Q215-K426 PolarHBondContact NE2-O 3.36Å; L216-K426 WeakPolarHBondContact CB-O 3.4Å; L216-K426 PolarHBondContact N-O 2.87Å; S423-K426 PolarHBondContact O-NZ 3.47Å; K426-A428 VanDerWaalsContact C-N 3.3Å; K426-A428 PolarHBondContact O-N 3.37Å
427	G	95.9	Very high	97.7	Very high	44 Å²	44	31.6 Å²	31.6	45%	0.454	18%	0.177	S	C	.	.	S	Bend	trans	75.7	10.2	179.9	0	0	0	0	0	115.5	R328	R328-G427 PolarHBondContact NH1-O 3.43Å; R328-G427 PolarHBondContact NH2-O 2.88Å
428	A	96.8	Very high	97.6	Very high	46 Å²	46	33.4 Å²	33.4	38%	0.38	19%	0.187	S	C	.	.			trans	-61.9	140.3	173.8	0	0	0	0	0	111.5	V425 K426 L488	V425-A428 HydrophobicContact CG1-CB 4.11Å; K426-A428 VanDerWaalsContact C-N 3.3Å; K426-A428 PolarHBondContact O-N 3.37Å; A428-L488 HydrophobicContact CB-CD1 3.75Å
429	R	97.4	Very high	97.5	Very high	61 Å²	61	33.7 Å²	33.7	23%	0.23	19%	0.189	C	C	.	.			trans	-103.9	154.4	178	-74	171.6	-45.8	-174.2	5.3	109.1	T325 P326 D431 D432	T325-R429 VanDerWaalsContact CG2-NH1 3.35Å; P326-R429 PolarHBondContact O-NH2 3.26Å; R429-D431 WeakPolarHBondContact CB-OD1 3.47Å; R429-D431 IonicContact NE-OD1 2.77Å; R429-D431 PolarHBondContact O-N 3.42Å; R429-D432 IonicContact CZ-OD1 2.75Å; R429-D432 PolarHBondContact N-OD2 2.94Å; R429-D432 IonicContact NE-OD1 3.65Å; R429-D432 PolarHBondContact NE-OD1 2.76Å; R429-D432 IonicContact NH2-OD1 3.17Å; R429-D432 PolarHBondContact NH2-OD1 3.46Å; R429-D432 PolarHBondContact O-N 3.15Å
430	S	97.3	Very high	97.5	Very high	65 Å²	65	28.7 Å²	28.7	46%	0.455	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.8	178.3	54.7	0	0	0	0	113.2	R489	S430-R489 VanDerWaalsContact O-CB 3.3Å; S430-R489 WeakPolarHBondContact O-CB 3.38Å; S430-R489 PolarHBondContact O-N 2.85Å
431	D	97.3	Very high	97.5	Very high	38 Å²	38	27 Å²	27	20%	0.203	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	2.3	-177.9	69.2	-28.2	0	0	0	114	R323 R327 R429	R323-D431 IonicContact CZ-OD2 3.81Å; R323-D431 IonicContact NH1-OD2 3.8Å; R323-D431 PolarHBondContact NH1-OD2 3.26Å; R323-D431 IonicContact NH2-OD2 2.7Å; R323-D431 PolarHBondContact NH2-OD2 3.38Å; R327-D431 WeakPolarHBondContact CD-O 3.47Å; R327-D431 VanDerWaalsContact CG-O 3.27Å; R327-D431 WeakPolarHBondContact CG-O 3.35Å; R327-D431 PolarHBondContact NE-O 2.92Å; R429-D431 WeakPolarHBondContact CB-OD1 3.47Å; R429-D431 IonicContact NE-OD1 2.77Å; R429-D431 PolarHBondContact O-N 3.42Å
432	D	98.6	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-65	151.2	171.7	-68.6	-30.4	0	0	0	110.7	R328 R429 T487 L488	R328-D432 WeakPolarHBondContact CB-OD1 3.48Å; R328-D432 IonicContact CZ-OD1 3.42Å; R328-D432 IonicContact CZ-OD2 3.7Å; R328-D432 PolarHBondContact N-OD1 2.86Å; R328-D432 IonicContact NE-OD1 2.63Å; R328-D432 PolarHBondContact NE-OD1 2.78Å; R328-D432 IonicContact NE-OD2 3.5Å; R328-D432 PolarHBondContact NE-OD2 3.11Å; R328-D432 IonicContact NH2-OD1 3.33Å; R328-D432 IonicContact NH2-OD2 3.53Å; R328-D432 PolarHBondContact NH2-OD2 3.43Å; R328-D432 CarbonylContact O-C 3.55Å; R328-D432 WeakPolarHBondContact O-CA 3.37Å; R328-D432 WeakPolarHBondContact O-CB 3.3Å; R429-D432 IonicContact CZ-OD1 2.75Å; R429-D432 PolarHBondContact N-OD2 2.94Å; R429-D432 IonicContact NE-OD1 3.65Å; R429-D432 PolarHBondContact NE-OD1 2.76Å; R429-D432 IonicContact NH2-OD1 3.17Å; R429-D432 PolarHBondContact NH2-OD1 3.46Å; R429-D432 PolarHBondContact O-N 3.15Å; D432-T487 CarbonylContact O-C 3.51Å; D432-T487 WeakPolarHBondContact O-CA 3.36Å; D432-L488 HydrophobicContact CB-CD1 3.89Å; D432-L488 HydrophobicContact CB-CG 4.24Å; D432-L488 PolarHBondContact O-N 3.17Å
433	V	98.7	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.5	-175.3	-173.7	0	0	0	0	109.8	R327 R328 V329 I330 V435 L451 W457 F461	R327-V433 HydrophobicContact CB-CG2 4.1Å; R327-V433 VanDerWaalsContact CD-CG2 3.49Å; R327-V433 HydrophobicContact CG-CG2 4.47Å; R328-V433 PolarHBondContact O-N 3.01Å; V329-V433 WeakPolarHBondContact CA-O 3.37Å; V329-V433 HydrophobicContact CG2-CB 4.23Å; I330-V433 PolarHBondContact N-O 3.49Å; V433-V435 HydrophobicContact CG1-CG2 3.87Å; V433-L451 HydrophobicContact CG2-CB 4.5Å; V433-W457 HydrophobicContact CG2-CH2 4.34Å; V433-W457 HydrophobicContact CG2-CZ2 4.06Å; V433-F461 HydrophobicContact CG1-CE1 3.82Å; V433-F461 HydrophobicContact CG1-CZ 3.79Å
434	F	98.9	Very high	97.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.9	169.2	179	-99.6	0	0	0	110	I330 A332 L357 T418 L422 I436 G485 C486 L488 L491 L502	I330-F434 HydrophobicContact CG2-CD2 4.38Å; A332-F434 HydrophobicContact CB-CE2 3.67Å; A332-F434 HydrophobicContact CB-CZ 3.73Å; L357-F434 HydrophobicContact CD1-CE2 4.47Å; T418-F434 HydrophobicContact CG2-CE1 4.42Å; T418-F434 HydrophobicContact CG2-CE2 4.15Å; T418-F434 HydrophobicContact CG2-CZ 3.75Å; L422-F434 HydrophobicContact CD1-CD2 4.21Å; L422-F434 HydrophobicContact CD1-CE2 4.14Å; L422-F434 HydrophobicContact CD2-CD2 4.3Å; L422-F434 HydrophobicContact CD2-CE2 4.43Å; L422-F434 HydrophobicContact CG-CE2 4.44Å; F434-I436 HydrophobicContact CD1-CG2 4.47Å; F434-I436 HydrophobicContact CE1-CB 3.74Å; F434-I436 HydrophobicContact CE1-CG2 3.72Å; F434-I436 HydrophobicContact CZ-CB 4.02Å; F434-I436 HydrophobicContact CZ-CG2 4.46Å; F434-G485 WeakPolarHBondContact O-CA 3.17Å; F434-C486 PolarHBondContact N-O 3.34Å; F434-C486 PolarHBondContact O-N 2.78Å; F434-C486 VanDerWaalsContact O-N 3.13Å; F434-L488 HydrophobicContact CB-CD2 3.85Å; F434-L488 HydrophobicContact CD2-CD2 4.4Å; F434-L488 HydrophobicContact CG-CD2 4.45Å; F434-L491 HydrophobicContact CB-CD2 4.14Å; F434-L491 HydrophobicContact CD1-CD1 4.14Å; F434-L491 HydrophobicContact CD1-CD2 3.69Å; F434-L491 HydrophobicContact CD1-CG 4.49Å; F434-L491 HydrophobicContact CD2-CD2 4Å; F434-L491 HydrophobicContact CE1-CD1 4.21Å; F434-L491 HydrophobicContact CE1-CD2 4.01Å; F434-L491 HydrophobicContact CE2-CD2 4.3Å; F434-L491 HydrophobicContact CG-CD2 3.68Å; F434-L491 HydrophobicContact CZ-CD2 4.3Å; F434-L502 HydrophobicContact CD1-CD2 4.25Å; F434-L502 HydrophobicContact CE1-CD2 4.47Å
435	V	98.7	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.2	179.4	-170.2	0	0	0	0	109.1	V329 I330 N331 A332 V433 N437 L448 F461 S484	V329-V435 HydrophobicContact CG1-CG2 4.04Å; I330-V435 PolarHBondContact O-N 3.22Å; N331-V435 CarbonylContact C-O 3.55Å; N331-V435 VanDerWaalsContact CA-O 3.28Å; N331-V435 WeakPolarHBondContact CA-O 3.46Å; N331-V435 PolarHBondContact ND2-O 3.39Å; A332-V435 PolarHBondContact N-O 2.92Å; V433-V435 HydrophobicContact CG1-CG2 3.87Å; V435-N437 VanDerWaalsContact CG1-OD1 3.22Å; V435-N437 WeakPolarHBondContact CG1-OD1 3.49Å; V435-L448 HydrophobicContact CG2-CD2 4.12Å; V435-F461 HydrophobicContact CG2-CZ 4.09Å; V435-S484 CarbonylContact C-O 3.38Å; V435-S484 VanDerWaalsContact CA-O 3.31Å; V435-S484 WeakPolarHBondContact CA-O 3.37Å
436	I	98.3	Very high	97.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.8	175.6	-178.9	166.3	0	0	0	109.6	A332 R414 L417 F434 S484 L502 R503	A332-I436 HydrophobicContact CB-CB 4.37Å; A332-I436 HydrophobicContact CB-CG1 4.49Å; A332-I436 WeakPolarHBondContact O-CA 3.3Å; R414-I436 HydrophobicContact CB-CD1 4.02Å; R414-I436 HydrophobicContact CG-CD1 4.02Å; L417-I436 HydrophobicContact CD2-CD1 4.45Å; F434-I436 HydrophobicContact CD1-CG2 4.47Å; F434-I436 HydrophobicContact CE1-CB 3.74Å; F434-I436 HydrophobicContact CE1-CG2 3.72Å; F434-I436 HydrophobicContact CZ-CB 4.02Å; F434-I436 HydrophobicContact CZ-CG2 4.46Å; I436-S484 PolarHBondContact N-O 3.38Å; I436-L502 HydrophobicContact CG2-CD2 4Å; I436-R503 HydrophobicContact CG2-CG 4.03Å
437	N	96.6	Very high	97.6	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.1	179.7	-72.6	118.2	0	0	0	110.1	A332 V435 E441 P443 S484	A332-N437 PolarHBondContact O-N 3.46Å; V435-N437 VanDerWaalsContact CG1-OD1 3.22Å; V435-N437 WeakPolarHBondContact CG1-OD1 3.49Å; N437-E441 WeakPolarHBondContact CA-OE2 3.34Å; N437-E441 HydrophobicContact CB-CB 4.01Å; N437-E441 WeakPolarHBondContact CB-O 3.06Å; N437-E441 PolarHBondContact ND2-OE2 3.36Å; N437-E441 VanDerWaalsContact ND2-OE2 3.16Å; N437-P443 VanDerWaalsContact OD1-CG 3.32Å; N437-P443 WeakPolarHBondContact OD1-CG 3.39Å; N437-S484 PolarHBondContact ND2-OG 3.49Å
438	D	96.8	Very high	97.7	Very high	38 Å²	38	19 Å²	19	20%	0.203	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	156.9	171.1	-65.8	-9.6	0	0	0	109.6	R345 R414 D440 E441	R345-D438 PolarHBondContact NH2-O 3.47Å; R414-D438 IonicContact CZ-OD1 3.59Å; R414-D438 IonicContact NE-OD1 3.66Å; R414-D438 PolarHBondContact NE-OD1 3.5Å; R414-D438 IonicContact NH2-OD1 2.75Å; R414-D438 PolarHBondContact NH2-OD1 3.3Å; R414-D438 IonicContact NH2-OD2 3.49Å; R414-D438 PolarHBondContact NH2-OD2 2.68Å; D438-D440 WeakPolarHBondContact CB-OD1 3.48Å; D438-D440 PolarHBondContact O-N 3.46Å; D438-E441 HydrophobicContact CB-CG 4.13Å; D438-E441 PolarHBondContact N-OE2 3.24Å; D438-E441 WeakPolarHBondContact O-CB 3.27Å; D438-E441 PolarHBondContact O-N 2.99Å
439	A	95.8	Very high	97.8	Very high	5 Å²	5	16.9 Å²	16.9	4%	0.041	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.6	-171.5	0	0	0	0	0	113.1	I333 I335 E338 R345 E441	I333-A439 HydrophobicContact CG2-CB 4.24Å; I335-A439 HydrophobicContact CD1-CB 3.74Å; E338-A439 HydrophobicContact CB-CB 3.69Å; E338-A439 HydrophobicContact CG-CB 3.76Å; R345-A439 PolarHBondContact NH2-O 3.49Å; A439-E441 VanDerWaalsContact C-N 3.34Å
440	D	97.2	Very high	97.8	Very high	21 Å²	21	14.1 Å²	14.1	11%	0.112	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	0.3	175.4	52.4	1.6	0	0	0	114.9	L341 D438 H539 C540 K552	L341-D440 HydrophobicContact CD1-CB 3.86Å; D438-D440 WeakPolarHBondContact CB-OD1 3.48Å; D438-D440 PolarHBondContact O-N 3.46Å; D440-H539 VanDerWaalsContact O-CA 3.28Å; D440-H539 WeakPolarHBondContact O-CA 3.38Å; D440-C540 WeakPolarHBondContact CB-O 3.39Å; D440-C540 PolarHBondContact O-N 3.47Å; D440-K552 IonicContact OD2-NZ 3.35Å; D440-K552 PolarHBondContact OD2-NZ 2.84Å
441	E	98	Very high	97.9	Very high	7 Å²	7	11 Å²	11	3%	0.033	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	95.1	173	-66.1	175.3	164.8	0	0	110.2	R345 N437 D438 A439 P443 M465 V482 R503 W538	R345-E441 PolarHBondContact NH2-O 3.4Å; N437-E441 WeakPolarHBondContact CA-OE2 3.34Å; N437-E441 HydrophobicContact CB-CB 4.01Å; N437-E441 WeakPolarHBondContact CB-O 3.06Å; N437-E441 PolarHBondContact ND2-OE2 3.36Å; N437-E441 VanDerWaalsContact ND2-OE2 3.16Å; D438-E441 HydrophobicContact CB-CG 4.13Å; D438-E441 PolarHBondContact N-OE2 3.24Å; D438-E441 WeakPolarHBondContact O-CB 3.27Å; D438-E441 PolarHBondContact O-N 2.99Å; A439-E441 VanDerWaalsContact C-N 3.34Å; E441-P443 WeakPolarHBondContact O-CD 3.29Å; E441-M465 HydrophobicContact CB-CE 3.95Å; E441-M465 HydrophobicContact CB-SD 3.77Å; E441-M465 HydrophobicContact CG-SD 4.17Å; E441-V482 WeakPolarHBondContact OE1-CG1 3.31Å; E441-V482 WeakPolarHBondContact OE1-CG2 3.23Å; E441-V482 WeakPolarHBondContact OE2-CG1 3.28Å; E441-R503 IonicContact OE1-NH2 3.7Å; E441-R503 PolarHBondContact OE1-NH2 3.49Å; E441-R503 VanDerWaalsContact OE1-NH2 3.09Å; E441-R503 IonicContact OE2-NH2 2.76Å; E441-W538 CarbonylContact C-O 3.54Å; E441-W538 WeakPolarHBondContact CA-O 3.48Å
442	I	98.3	Very high	97.9	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.01	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	110.3	-178.5	-55.7	176.8	0	0	0	109.7	L341 T344 G537 W538 P605	L341-I442 HydrophobicContact CB-CD1 4.37Å; L341-I442 HydrophobicContact CD2-CD1 4.48Å; T344-I442 HydrophobicContact CG2-CD1 4.01Å; I442-G537 CarbonylContact O-C 3.49Å; I442-G537 WeakPolarHBondContact O-CA 3.47Å; I442-W538 HydrophobicContact CB-CE3 4.4Å; I442-W538 HydrophobicContact CG2-CE3 4.3Å; I442-W538 PolarHBondContact N-O 2.75Å; I442-W538 PolarHBondContact O-N 3.46Å; I442-P605 HydrophobicContact CD1-CG 4.31Å
443	P	98.2	Very high	97.9	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	154	171.1	-26.2	35.7	0	0	0	113.3	L349 N437 E441 L448 I463 M465	L349-P443 WeakPolarHBondContact CD2-O 3.37Å; N437-P443 VanDerWaalsContact OD1-CG 3.32Å; N437-P443 WeakPolarHBondContact OD1-CG 3.39Å; E441-P443 WeakPolarHBondContact O-CD 3.29Å; P443-L448 HydrophobicContact CB-CD1 4.11Å; P443-L448 HydrophobicContact CB-CD2 4.27Å; P443-L448 HydrophobicContact CB-CG 4.11Å; P443-I463 HydrophobicContact CB-CD1 3.96Å; P443-I463 HydrophobicContact CG-CD1 3.79Å; P443-M465 HydrophobicContact CG-CE 4.41Å
444	A	97.6	Very high	97.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.			trans	-77.4	137	168.3	0	0	0	0	0	110.9	M308 E446 G447 L448 A536 W538 M602	M308-A444 HydrophobicContact CE-CB 4.23Å; M308-A444 HydrophobicContact SD-CB 4.06Å; A444-E446 VanDerWaalsContact C-N 3.28Å; A444-E446 PolarHBondContact O-N 3.49Å; A444-G447 PolarHBondContact O-N 3.35Å; A444-L448 PolarHBondContact O-N 3.5Å; A444-A536 WeakPolarHBondContact CB-O 3.4Å; A444-A536 PolarHBondContact N-O 2.95Å; A444-W538 HydrophobicContact CB-CZ3 4.42Å; A444-M602 HydrophobicContact CB-CE 4.15Å
445	Q	97.6	Very high	97.8	Very high	33 Å²	33	12 Å²	12	15%	0.154	6%	0.062	C	C	.	.	H	α-helix	trans	-56	-42	-178.1	-173.8	-171.2	-32.3	0	0	112	E348 L349 A352 G447 L448 L449	E348-Q445 PolarHBondContact O-OE1 2.84Å; E348-Q445 VanDerWaalsContact O-OE1 3.13Å; L349-Q445 HydrophobicContact CD2-CB 4.46Å; A352-Q445 HydrophobicContact CB-CG 3.95Å; Q445-G447 VanDerWaalsContact C-N 3.3Å; Q445-G447 PolarHBondContact O-N 3.31Å; Q445-L448 PolarHBondContact O-N 3.38Å; Q445-L449 HydrophobicContact CG-CD1 4.11Å; Q445-L449 HydrophobicContact CG-CG 4.35Å; Q445-L449 WeakPolarHBondContact O-CG 3.31Å; Q445-L449 PolarHBondContact O-N 3.49Å
446	E	97.6	Very high	97.6	Very high	72 Å²	72	13.6 Å²	13.6	34%	0.336	8%	0.078	S	C	.	.	H	α-helix	trans	-63.1	-36.9	-176.5	-62.4	79.1	-176.2	0	0	112	W298 P306 M308 A444 F450	W298-E446 HydrophobicContact CH2-CB 4.21Å; W298-E446 HydrophobicContact CH2-CG 4.06Å; W298-E446 HydrophobicContact CZ2-CG 4.05Å; P306-E446 HydrophobicContact CB-CB 3.93Å; P306-E446 HydrophobicContact CG-CB 4.2Å; M308-E446 HydrophobicContact CE-CB 4.29Å; M308-E446 HydrophobicContact SD-CB 4.38Å; A444-E446 VanDerWaalsContact C-N 3.28Å; A444-E446 PolarHBondContact O-N 3.49Å; E446-F450 WeakPolarHBondContact O-CB 3.21Å; E446-F450 PolarHBondContact O-N 2.95Å
447	G	98	Very high	97.5	Very high	3 Å²	3	14.3 Å²	14.3	3%	0.031	8%	0.08	C	C	.	.	H	α-helix	trans	-64.7	-45.5	176.2	0	0	0	0	0	111.9	A444 Q445 F450 L451	A444-G447 PolarHBondContact O-N 3.35Å; Q445-G447 VanDerWaalsContact C-N 3.3Å; Q445-G447 PolarHBondContact O-N 3.31Å; G447-F450 WeakPolarHBondContact O-CB 3.47Å; G447-F450 PolarHBondContact O-N 3.27Å; G447-L451 WeakPolarHBondContact O-CG 3.23Å; G447-L451 PolarHBondContact O-N 3.25Å; G447-L451 VanDerWaalsContact O-N 3.16Å
448	L	98.4	Very high	97.4	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.016	8%	0.083	C	C	.	.	H	α-helix	trans	-68.1	-39.2	177.1	-62	-168.6	0	0	0	112.1	L349 A352 V353 V435 P443 A444 Q445 F450 L451 K452	L349-L448 HydrophobicContact CD1-CD1 4.11Å; L349-L448 HydrophobicContact CD2-CD1 4.02Å; A352-L448 HydrophobicContact CB-CB 3.94Å; V353-L448 HydrophobicContact CG2-CD1 3.94Å; V435-L448 HydrophobicContact CG2-CD2 4.12Å; P443-L448 HydrophobicContact CB-CD1 4.11Å; P443-L448 HydrophobicContact CB-CD2 4.27Å; P443-L448 HydrophobicContact CB-CG 4.11Å; A444-L448 PolarHBondContact O-N 3.5Å; Q445-L448 PolarHBondContact O-N 3.38Å; L448-F450 VanDerWaalsContact C-N 3.31Å; L448-F450 PolarHBondContact O-N 2.89Å; L448-L451 HydrophobicContact CD2-CD1 4.14Å; L448-L451 PolarHBondContact O-N 2.93Å; L448-K452 WeakPolarHBondContact O-CB 3.49Å; L448-K452 PolarHBondContact O-N 3.38Å
449	L	98.1	Very high	97.3	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.016	8%	0.077	C	C	.	.	H	α-helix	trans	-60.6	-40.8	173.2	-78.3	177.1	0	0	0	111.7	Y223 A352 Q445 K452 L453	Y223-L449 HydrophobicContact CE1-CD2 3.98Å; A352-L449 HydrophobicContact CB-CD2 3.91Å; A352-L449 HydrophobicContact CB-CG 3.84Å; Q445-L449 HydrophobicContact CG-CD1 4.11Å; Q445-L449 HydrophobicContact CG-CG 4.35Å; Q445-L449 WeakPolarHBondContact O-CG 3.31Å; Q445-L449 PolarHBondContact O-N 3.49Å; L449-K452 WeakPolarHBondContact O-CB 3.32Å; L449-K452 PolarHBondContact O-N 2.93Å; L449-L453 VanDerWaalsContact O-CB 3.32Å; L449-L453 WeakPolarHBondContact O-CB 3.41Å; L449-L453 WeakPolarHBondContact O-CG 3.4Å; L449-L453 PolarHBondContact O-N 2.96Å
450	F	98.6	Very high	97.4	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.009	8%	0.075	C	C	.	.	H	α-helix	trans	-58.7	-50.1	174.4	166.9	-97.4	0	0	0	111.8	V305 P306 V309 L314 L320 E446 G447 L448 K452 L453 F454 W457 W527	V305-F450 HydrophobicContact CG2-CE2 4.19Å; P306-F450 HydrophobicContact CG-CB 4.2Å; V309-F450 HydrophobicContact CB-CD1 4.42Å; V309-F450 HydrophobicContact CB-CG 4.47Å; V309-F450 HydrophobicContact CG1-CD1 3.93Å; V309-F450 HydrophobicContact CG1-CD2 4.23Å; V309-F450 HydrophobicContact CG1-CE1 3.66Å; V309-F450 HydrophobicContact CG1-CE2 3.97Å; V309-F450 HydrophobicContact CG1-CG 4.21Å; V309-F450 HydrophobicContact CG1-CZ 3.67Å; V309-F450 HydrophobicContact CG2-CB 4.23Å; V309-F450 HydrophobicContact CG2-CD1 3.69Å; V309-F450 HydrophobicContact CG2-CE1 4.23Å; V309-F450 HydrophobicContact CG2-CG 3.87Å; L314-F450 HydrophobicContact CD2-CE1 4.43Å; L314-F450 HydrophobicContact CD2-CZ 4.16Å; L320-F450 HydrophobicContact CD1-CE2 3.77Å; L320-F450 HydrophobicContact CD1-CZ 3.75Å; L320-F450 HydrophobicContact CD2-CE2 4.14Å; L320-F450 HydrophobicContact CD2-CZ 3.66Å; L320-F450 HydrophobicContact CG-CE2 4.47Å; L320-F450 HydrophobicContact CG-CZ 4.32Å; E446-F450 WeakPolarHBondContact O-CB 3.21Å; E446-F450 PolarHBondContact O-N 2.95Å; G447-F450 WeakPolarHBondContact O-CB 3.47Å; G447-F450 PolarHBondContact O-N 3.27Å; L448-F450 VanDerWaalsContact C-N 3.31Å; L448-F450 PolarHBondContact O-N 2.89Å; F450-K452 PolarHBondContact O-N 2.9Å; F450-L453 PolarHBondContact O-N 3.09Å; F450-L453 VanDerWaalsContact O-N 3.15Å; F450-F454 HydrophobicContact CD2-CB 4.09Å; F450-F454 AromaticContact CD2-CD2 3.7Å; F450-F454 HydrophobicContact CD2-CD2 3.7Å; F450-F454 HydrophobicContact CD2-CE2 4.39Å; F450-F454 AromaticContact CD2-CG 3.97Å; F450-F454 HydrophobicContact CD2-CG 3.97Å; F450-F454 HydrophobicContact CE2-CB 3.69Å; F450-F454 HydrophobicContact CE2-CD1 4.39Å; F450-F454 AromaticContact CE2-CD2 4Å; F450-F454 HydrophobicContact CE2-CD2 4Å; F450-F454 AromaticContact CE2-CG 3.77Å; F450-F454 HydrophobicContact CE2-CG 3.77Å; F450-F454 HydrophobicContact CZ-CB 4.2Å; F450-F454 PolarHBondContact O-N 3.34Å; F450-W457 HydrophobicContact CE1-CB 4.38Å; F450-W457 HydrophobicContact CE1-CG 4.41Å; F450-W527 HydrophobicContact CD1-CH2 4.24Å; F450-W527 AromaticContact CE1-CH2 3.71Å; F450-W527 HydrophobicContact CE1-CH2 3.71Å; F450-W527 HydrophobicContact CE1-CZ2 4.24Å
451	L	98.5	Very high	97.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.6	-36.8	179.2	-67	168.2	0	0	0	112.1	R327 V433 G447 L448 W457 F461 W527 V529	R327-L451 PolarHBondContact NH1-O 3.04Å; V433-L451 HydrophobicContact CG2-CB 4.5Å; G447-L451 WeakPolarHBondContact O-CG 3.23Å; G447-L451 PolarHBondContact O-N 3.25Å; G447-L451 VanDerWaalsContact O-N 3.16Å; L448-L451 HydrophobicContact CD2-CD1 4.14Å; L448-L451 PolarHBondContact O-N 2.93Å; L451-W457 HydrophobicContact CB-CZ2 4.46Å; L451-W457 HydrophobicContact CD2-CD2 3.82Å; L451-W457 HydrophobicContact CD2-CE3 4.09Å; L451-W457 HydrophobicContact CD2-CG 4.22Å; L451-W457 HydrophobicContact CD2-CH2 4.44Å; L451-W457 HydrophobicContact CD2-CZ2 4.16Å; L451-W457 HydrophobicContact CD2-CZ3 4.37Å; L451-W457 PolarHBondContact O-NE1 3.36Å; L451-F461 HydrophobicContact CD1-CD1 4.33Å; L451-F461 HydrophobicContact CD1-CD2 4.01Å; L451-F461 HydrophobicContact CD1-CE1 3.83Å; L451-F461 HydrophobicContact CD1-CE2 3.48Å; L451-F461 VanDerWaalsContact CD1-CE2 3.48Å; L451-F461 HydrophobicContact CD1-CG 4.41Å; L451-F461 HydrophobicContact CD1-CZ 3.37Å; L451-F461 HydrophobicContact CD2-CD1 4.12Å; L451-F461 HydrophobicContact CD2-CE1 4.2Å; L451-F461 HydrophobicContact CD2-CG 4.4Å; L451-W527 HydrophobicContact CD2-CH2 4.18Å; L451-W527 HydrophobicContact CD2-CZ2 3.73Å; L451-V529 HydrophobicContact CD1-CG2 4.18Å
452	K	98	Very high	97.4	Very high	1 Å²	1	12.1 Å²	12.1	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-65.9	-40.8	176.1	170.8	154.3	-176.9	168.2	0	113.3	D219 P326 R327 V329 D354 L448 L449 F450	D219-K452 WeakPolarHBondContact OD2-CE 3.21Å; D219-K452 IonicContact OD2-NZ 2.68Å; D219-K452 PolarHBondContact OD2-NZ 3.39Å; P326-K452 HydrophobicContact CB-CD 4.5Å; P326-K452 HydrophobicContact CB-CG 3.96Å; R327-K452 PolarHBondContact N-O 3.36Å; R327-K452 WeakPolarHBondContact O-CD 3.32Å; R327-K452 VanDerWaalsContact O-CE 3.22Å; R327-K452 WeakPolarHBondContact O-CE 3.25Å; R327-K452 VanDerWaalsContact O-CG 3.25Å; R327-K452 WeakPolarHBondContact O-CG 3.03Å; V329-K452 HydrophobicContact CG2-CB 3.93Å; V329-K452 HydrophobicContact CG2-CD 4.12Å; D354-K452 IonicContact OD1-NZ 3.96Å; D354-K452 PolarHBondContact OD1-NZ 2.96Å; D354-K452 IonicContact OD2-NZ 3.63Å; D354-K452 PolarHBondContact OD2-NZ 3.09Å; L448-K452 WeakPolarHBondContact O-CB 3.49Å; L448-K452 PolarHBondContact O-N 3.38Å; L449-K452 WeakPolarHBondContact O-CB 3.32Å; L449-K452 PolarHBondContact O-N 2.93Å; F450-K452 PolarHBondContact O-N 2.9Å
453	L	98.3	Very high	97.4	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-101.2	-14.8	-165.6	-63.3	176.6	0	0	0	115.1	Y223 F224 F234 R323 P326 L449 F450	Y223-L453 HydrophobicContact CD1-CD1 3.81Å; Y223-L453 HydrophobicContact CD1-CD2 4.32Å; Y223-L453 HydrophobicContact CD2-CD1 4.33Å; Y223-L453 HydrophobicContact CD2-CD2 3.34Å; Y223-L453 HydrophobicContact CD2-CG 4.45Å; Y223-L453 HydrophobicContact CE1-CD1 4.36Å; Y223-L453 HydrophobicContact CE2-CD2 3.75Å; Y223-L453 HydrophobicContact CG-CD1 3.77Å; Y223-L453 HydrophobicContact CG-CD2 3.63Å; Y223-L453 HydrophobicContact CG-CG 4.36Å; F224-L453 HydrophobicContact CE2-CB 4.32Å; F224-L453 HydrophobicContact CE2-CD1 4.45Å; F234-L453 HydrophobicContact CD2-CD1 4.24Å; F234-L453 HydrophobicContact CE2-CD1 3.61Å; F234-L453 HydrophobicContact CZ-CD1 4.31Å; R323-L453 WeakPolarHBondContact CB-O 3.42Å; R323-L453 WeakPolarHBondContact CG-O 3.31Å; R323-L453 PolarHBondContact N-O 3.15Å; P326-L453 HydrophobicContact CB-CD2 4.04Å; P326-L453 HydrophobicContact CG-CD2 4.02Å; L449-L453 VanDerWaalsContact O-CB 3.32Å; L449-L453 WeakPolarHBondContact O-CB 3.41Å; L449-L453 WeakPolarHBondContact O-CG 3.4Å; L449-L453 PolarHBondContact O-N 2.96Å; F450-L453 PolarHBondContact O-N 3.09Å; F450-L453 VanDerWaalsContact O-N 3.15Å
454	F	98.1	Very high	97.4	Very high	2 Å²	2	13 Å²	13	1%	0.009	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.6	-174.2	-77.7	-96.4	0	0	0	113.4	F224 Y302 G304 L320 T321 P322 R327 F450 W457	F224-F454 HydrophobicContact CE1-CZ 4.27Å; F224-F454 AromaticContact CZ-CE2 3.97Å; F224-F454 HydrophobicContact CZ-CE2 3.97Å; F224-F454 AromaticContact CZ-CZ 3.95Å; F224-F454 HydrophobicContact CZ-CZ 3.95Å; Y302-F454 HydrophobicContact CD2-CE1 4.32Å; G304-F454 VanDerWaalsContact O-CE2 3.25Å; G304-F454 WeakPolarHBondContact O-CE2 3.39Å; L320-F454 HydrophobicContact CB-CD1 4.14Å; T321-F454 CarbonylContact O-C 3.52Å; T321-F454 WeakPolarHBondContact O-CA 3.4Å; P322-F454 HydrophobicContact CB-CE1 4.43Å; P322-F454 HydrophobicContact CG-CD1 4.39Å; P322-F454 HydrophobicContact CG-CE1 3.7Å; P322-F454 HydrophobicContact CG-CZ 4.06Å; R327-F454 PolarHBondContact NH1-O 2.81Å; F450-F454 HydrophobicContact CD2-CB 4.09Å; F450-F454 AromaticContact CD2-CD2 3.7Å; F450-F454 HydrophobicContact CD2-CD2 3.7Å; F450-F454 HydrophobicContact CD2-CE2 4.39Å; F450-F454 AromaticContact CD2-CG 3.97Å; F450-F454 HydrophobicContact CD2-CG 3.97Å; F450-F454 HydrophobicContact CE2-CB 3.69Å; F450-F454 HydrophobicContact CE2-CD1 4.39Å; F450-F454 AromaticContact CE2-CD2 4Å; F450-F454 HydrophobicContact CE2-CD2 4Å; F450-F454 AromaticContact CE2-CG 3.77Å; F450-F454 HydrophobicContact CE2-CG 3.77Å; F450-F454 HydrophobicContact CZ-CB 4.2Å; F450-F454 PolarHBondContact O-N 3.34Å; F454-W457 PolarHBondContact O-NE1 2.88Å
455	D	96.8	Very high	97.4	Very high	53 Å²	53	13 Å²	13	28%	0.283	7%	0.072	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	160.6	162.2	-78.3	-30.3	0	0	0	111.3	L320 T321 R323 R327	L320-D455 WeakPolarHBondContact CA-O 3.33Å; L320-D455 WeakPolarHBondContact CD2-O 3.41Å; T321-D455 PolarHBondContact N-O 3.05Å; T321-D455 VanDerWaalsContact N-O 3.07Å; T321-D455 PolarHBondContact O-N 2.79Å; R323-D455 WeakPolarHBondContact CD-OD1 3.46Å; R323-D455 HydrophobicContact CG-CB 4.34Å; R323-D455 WeakPolarHBondContact CG-OD2 3.18Å; R323-D455 IonicContact CZ-OD1 3.59Å; R323-D455 IonicContact CZ-OD2 3.27Å; R323-D455 IonicContact NE-OD1 3.03Å; R323-D455 IonicContact NH1-OD1 3.23Å; R323-D455 PolarHBondContact NH1-OD1 3Å; R323-D455 IonicContact NH1-OD2 3.39Å; R323-D455 PolarHBondContact NH1-OD2 3.48Å; R327-D455 IonicContact CZ-OD1 2.74Å; R327-D455 IonicContact NH1-OD1 3.53Å; R327-D455 IonicContact NH2-OD1 3.34Å; R327-D455 PolarHBondContact NH2-OD1 3.18Å
456	G	94.6	Very high	97.4	Very high	32 Å²	32	11.5 Å²	11.5	33%	0.33	7%	0.065	S	C	.	.			trans	101.6	-5	174.9	0	0	0	0	0	114.8	T316	T316-G456 WeakPolarHBondContact CB-O 3.25Å; T316-G456 PolarHBondContact OG1-O 3.01Å
457	W	96	Very high	97.3	Very high	18 Å²	18	10.4 Å²	10.4	7%	0.068	6%	0.059	C	C	.	.			trans	-80.6	154.8	169.8	58.1	-97.9	0	0	0	112.3	L314 R327 V433 F450 L451 F454 E459 F461 T487 W527	L314-W457 HydrophobicContact CD1-CB 4.02Å; L314-W457 HydrophobicContact CD2-CB 4.3Å; R327-W457 VanDerWaalsContact NH1-CE2 3.31Å; V433-W457 HydrophobicContact CG2-CH2 4.34Å; V433-W457 HydrophobicContact CG2-CZ2 4.06Å; F450-W457 HydrophobicContact CE1-CB 4.38Å; F450-W457 HydrophobicContact CE1-CG 4.41Å; L451-W457 HydrophobicContact CB-CZ2 4.46Å; L451-W457 HydrophobicContact CD2-CD2 3.82Å; L451-W457 HydrophobicContact CD2-CE3 4.09Å; L451-W457 HydrophobicContact CD2-CG 4.22Å; L451-W457 HydrophobicContact CD2-CH2 4.44Å; L451-W457 HydrophobicContact CD2-CZ2 4.16Å; L451-W457 HydrophobicContact CD2-CZ3 4.37Å; L451-W457 PolarHBondContact O-NE1 3.36Å; F454-W457 PolarHBondContact O-NE1 2.88Å; W457-E459 HydrophobicContact CE3-CG 4.3Å; W457-E459 HydrophobicContact CZ3-CG 3.75Å; W457-F461 HydrophobicContact CE3-CD1 4.44Å; W457-F461 HydrophobicContact CH2-CD1 4.42Å; W457-F461 HydrophobicContact CH2-CE1 4.31Å; W457-F461 AromaticContact CZ3-CD1 3.86Å; W457-F461 HydrophobicContact CZ3-CD1 3.86Å; W457-F461 HydrophobicContact CZ3-CE1 4.2Å; W457-T487 HydrophobicContact CH2-CG2 3.91Å; W457-W527 HydrophobicContact CB-CZ2 3.74Å; W457-W527 HydrophobicContact CE3-CZ2 4.47Å; W457-W527 HydrophobicContact CG-CZ2 4.21Å
458	T	95.3	Very high	97.3	Very high	10 Å²	10	10.3 Å²	10.3	6%	0.061	6%	0.058	C	C	.	.			trans	-102.8	166.5	-175.1	170.9	0	0	0	0	112	L314 P315 I523 V525 W527	L314-T458 HydrophobicContact CD1-CG2 4.06Å; P315-T458 HydrophobicContact CG-CG2 3.86Å; T458-I523 PolarHBondContact OG1-O 2.61Å; T458-V525 HydrophobicContact CG2-CB 4.46Å; T458-V525 WeakPolarHBondContact CG2-O 3.34Å; T458-V525 PolarHBondContact OG1-N 3.39Å; T458-V525 PolarHBondContact OG1-O 2.7Å; T458-W527 HydrophobicContact CG2-CG 4.21Å; T458-W527 PolarHBondContact O-NE1 3.15Å
459	E	95.1	Very high	97.1	Very high	16 Å²	16	10.1 Å²	10.1	8%	0.075	6%	0.057	C	C	.	.	S	Bend	trans	-126.3	154.5	-173.9	-43.8	-177.9	70.7	0	0	111.8	W457 T487 M490 Y516 L524	W457-E459 HydrophobicContact CE3-CG 4.3Å; W457-E459 HydrophobicContact CZ3-CG 3.75Å; E459-T487 VanDerWaalsContact CD-OG1 3.3Å; E459-T487 WeakPolarHBondContact OE1-CA 3.29Å; E459-T487 WeakPolarHBondContact OE1-CB 3.44Å; E459-T487 WeakPolarHBondContact OE1-CG2 3.46Å; E459-T487 PolarHBondContact OE1-N 3.39Å; E459-T487 PolarHBondContact OE1-OG1 3.19Å; E459-T487 PolarHBondContact OE2-OG1 2.9Å; E459-M490 HydrophobicContact CB-SD 3.39Å; E459-M490 WeakPolarHBondContact CB-SD 3.42Å; E459-M490 HydrophobicContact CG-SD 4.48Å; E459-Y516 PolarHBondContact OE2-OH 3.39Å; E459-L524 HydrophobicContact CB-CD2 4.35Å
460	P	97.3	Very high	97.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	S	Bend	cis	-72.8	174	-10.3	34.8	-35.3	0	0	0	111.2	C486 M490 L502 Y507 Q526 W527	P460-C486 HydrophobicContact CB-CB 4.34Å; P460-M490 HydrophobicContact CB-CE 4.26Å; P460-M490 HydrophobicContact CB-SD 4.25Å; P460-M490 HydrophobicContact CG-CE 4.24Å; P460-L502 HydrophobicContact CB-CD1 3.84Å; P460-Y507 HydrophobicContact CG-CD1 3.84Å; P460-Y507 HydrophobicContact CG-CE1 4.34Å; P460-Y507 HydrophobicContact CG-CG 4.28Å; P460-Q526 HydrophobicContact CG-CB 4.2Å; P460-Q526 HydrophobicContact CG-CG 4.26Å; P460-Q526 WeakPolarHBondContact O-CA 3.5Å; P460-W527 PolarHBondContact O-N 3.09Å
461	F	98.1	Very high	97	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.8	171.8	67.1	-94.3	0	0	0	112.7	V433 V435 L451 W457 I463 S484 G485 W527 V529	V433-F461 HydrophobicContact CG1-CE1 3.82Å; V433-F461 HydrophobicContact CG1-CZ 3.79Å; V435-F461 HydrophobicContact CG2-CZ 4.09Å; L451-F461 HydrophobicContact CD1-CD1 4.33Å; L451-F461 HydrophobicContact CD1-CD2 4.01Å; L451-F461 HydrophobicContact CD1-CE1 3.83Å; L451-F461 HydrophobicContact CD1-CE2 3.48Å; L451-F461 VanDerWaalsContact CD1-CE2 3.48Å; L451-F461 HydrophobicContact CD1-CG 4.41Å; L451-F461 HydrophobicContact CD1-CZ 3.37Å; L451-F461 HydrophobicContact CD2-CD1 4.12Å; L451-F461 HydrophobicContact CD2-CE1 4.2Å; L451-F461 HydrophobicContact CD2-CG 4.4Å; W457-F461 HydrophobicContact CE3-CD1 4.44Å; W457-F461 HydrophobicContact CH2-CD1 4.42Å; W457-F461 HydrophobicContact CH2-CE1 4.31Å; W457-F461 AromaticContact CZ3-CD1 3.86Å; W457-F461 HydrophobicContact CZ3-CD1 3.86Å; W457-F461 HydrophobicContact CZ3-CE1 4.2Å; F461-I463 HydrophobicContact CD2-CG1 4.43Å; F461-I463 HydrophobicContact CE2-CG1 4.46Å; F461-S484 PolarHBondContact O-N 2.92Å; F461-G485 WeakPolarHBondContact CD1-O 3.47Å; F461-G485 VanDerWaalsContact CZ-CA 3.44Å; F461-G485 PolarHBondContact N-O 2.79Å; F461-G485 PolarHBondContact O-N 3.45Å; F461-G485 VanDerWaalsContact O-N 3.09Å; F461-W527 CarbonylContact C-O 3.56Å; F461-W527 WeakPolarHBondContact CA-O 3.25Å; F461-W527 HydrophobicContact CB-CD2 4.48Å; F461-W527 HydrophobicContact CB-CZ2 4.32Å; F461-V529 HydrophobicContact CD2-CG2 4.04Å
462	A	98.2	Very high	96.9	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	173.3	167.9	0	0	0	0	0	111.4	E481 V482 V483 W527 S528 V529	A462-E481 HydrophobicContact CB-CG 3.8Å; A462-V482 CarbonylContact C-O 3.51Å; A462-V482 WeakPolarHBondContact CA-O 3.45Å; A462-V482 VanDerWaalsContact CB-O 3.31Å; A462-V482 WeakPolarHBondContact CB-O 3.23Å; A462-V483 HydrophobicContact CB-CG2 4.2Å; A462-W527 PolarHBondContact N-O 3.13Å; A462-S528 CarbonylContact O-C 3.54Å; A462-S528 WeakPolarHBondContact O-CA 3.19Å; A462-V529 PolarHBondContact O-N 3.24Å
463	I	98.4	Very high	96.8	Very high	3 Å²	3	10.7 Å²	10.7	2%	0.015	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.1	176.3	-57.2	175.4	0	0	0	107.7	P443 F461 M465 V482 V529 A536	P443-I463 HydrophobicContact CB-CD1 3.96Å; P443-I463 HydrophobicContact CG-CD1 3.79Å; F461-I463 HydrophobicContact CD2-CG1 4.43Å; F461-I463 HydrophobicContact CE2-CG1 4.46Å; I463-M465 HydrophobicContact CB-CE 3.88Å; I463-M465 HydrophobicContact CD1-CE 4.25Å; I463-M465 HydrophobicContact CG2-CE 3.7Å; I463-M465 HydrophobicContact CG2-CG 3.91Å; I463-V482 PolarHBondContact N-O 3.26Å; I463-V482 PolarHBondContact O-N 3.15Å; I463-V529 HydrophobicContact CG1-CB 4.49Å; I463-A536 HydrophobicContact CG2-CB 3.92Å; I463-A536 VanDerWaalsContact CG2-O 3.25Å; I463-A536 WeakPolarHBondContact CG2-O 3.43Å
464	H	97.8	Very high	96.6	Very high	17 Å²	17	11.9 Å²	11.9	8%	0.079	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121.3	170.6	-88.1	-73.4	0	0	0	110.3	T479 L480 E481 S528 V529 A536	H464-T479 PolarHBondContact ND1-OG1 3.11Å; H464-L480 CarbonylContact C-O 3.52Å; H464-L480 WeakPolarHBondContact CA-O 3.4Å; H464-E481 IonicContact CE1-OE1 3.13Å; H464-E481 IonicContact NE2-OE1 3.73Å; H464-E481 PolarHBondContact NE2-OE1 3.42Å; H464-S528 VanDerWaalsContact CD2-CB 3.46Å; H464-S528 WeakPolarHBondContact CD2-CB 3.35Å; H464-V529 PolarHBondContact N-O 3.09Å; H464-A536 PolarHBondContact O-N 2Å
465	M	97.9	Very high	96.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.5	-175.5	-58.5	-172.5	-178.8	0	0	112.1	E441 P443 I463 T479 L480 V482 G537 H539	E441-M465 HydrophobicContact CB-CE 3.95Å; E441-M465 HydrophobicContact CB-SD 3.77Å; E441-M465 HydrophobicContact CG-SD 4.17Å; P443-M465 HydrophobicContact CG-CE 4.41Å; I463-M465 HydrophobicContact CB-CE 3.88Å; I463-M465 HydrophobicContact CD1-CE 4.25Å; I463-M465 HydrophobicContact CG2-CE 3.7Å; I463-M465 HydrophobicContact CG2-CG 3.91Å; M465-T479 WeakPolarHBondContact O-CB 3.42Å; M465-L480 PolarHBondContact N-O 3.24Å; M465-L480 PolarHBondContact O-N 2.81Å; M465-L480 VanDerWaalsContact O-N 3.11Å; M465-V482 HydrophobicContact CE-CB 4.49Å; M465-V482 HydrophobicContact CE-CG2 4.48Å; M465-V482 HydrophobicContact SD-CG2 4.28Å; M465-G537 WeakPolarHBondContact CA-O 3.37Å; M465-H539 HydrophobicContact CB-CB 4.18Å; M465-H539 HydrophobicContact SD-CB 4.43Å
466	R	96.7	Very high	96.3	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.008	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.4	168.2	-174.2	-176.5	170.7	-81.1	7.9	108.9	S468 F472 F535 G537 H539 E600 M602 F603	R466-S468 PolarHBondContact NH1-OG 3.16Å; R466-F472 PolarHBondContact NH2-O 3.39Å; R466-F535 HydrophobicContact CB-CB 4.37Å; R466-F535 HydrophobicContact CB-CD1 4.45Å; R466-F535 HydrophobicContact CB-CD2 3.56Å; R466-F535 HydrophobicContact CB-CE2 3.87Å; R466-F535 HydrophobicContact CB-CG 3.86Å; R466-F535 HydrophobicContact CB-CZ 4.46Å; R466-F535 HydrophobicContact CG-CD2 4Å; R466-F535 HydrophobicContact CG-CE2 3.81Å; R466-F535 HydrophobicContact CG-CZ 4.4Å; R466-G537 PolarHBondContact N-O 2.86Å; R466-H539 PolarHBondContact O-N 3.23Å; R466-E600 IonicContact CZ-OE1 3.88Å; R466-E600 IonicContact NE-OE1 3.62Å; R466-E600 PolarHBondContact NE-OE1 3.31Å; R466-E600 IonicContact NH2-OE1 3.57Å; R466-E600 PolarHBondContact NH2-OE1 2.97Å; R466-M602 WeakPolarHBondContact CD-O 3.45Å; R466-F603 PolarHBondContact NH1-O 3.01Å
467	K	96.3	Very high	96.1	Very high	50 Å²	50	17.7 Å²	17.7	22%	0.217	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131	178.1	-64	-172	-54.4	-174.7	0	111.9	Q476 F477 L480 H539	K467-Q476 HydrophobicContact CB-CB 3.78Å; K467-Q476 HydrophobicContact CB-CG 4.47Å; K467-Q476 PolarHBondContact O-N 2.77Å; K467-F477 WeakPolarHBondContact CE-O 3.5Å; K467-F477 PolarHBondContact NZ-O 2.87Å; K467-L480 HydrophobicContact CD-CB 3.92Å; K467-L480 HydrophobicContact CG-CB 3.74Å; K467-H539 CarbonylContact C-O 3.57Å; K467-H539 WeakPolarHBondContact CA-O 3.04Å
468	S	96.4	Very high	95.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	161.6	177.6	-25.4	0	0	0	0	110.8	R466 G471 W474 Q476 H539 S541	R466-S468 PolarHBondContact NH1-OG 3.16Å; S468-G471 VanDerWaalsContact CB-O 3.29Å; S468-G471 WeakPolarHBondContact CB-O 3.05Å; S468-W474 VanDerWaalsContact CA-O 3.22Å; S468-W474 WeakPolarHBondContact CA-O 3.38Å; S468-Q476 PolarHBondContact O-OE1 2.88Å; S468-H539 PolarHBondContact N-O 3.04Å; S468-H539 PolarHBondContact OG-O 3.04Å; S468-S541 WeakPolarHBondContact O-CB 3.41Å; S468-S541 PolarHBondContact O-N 3.41Å; S468-S541 PolarHBondContact O-OG 2.78Å
469	L	95.9	Very high	95.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.6	-178.2	179.4	63	0	0	0	111.7	G471 W474 Q476 S541 W542 W585 Y593	L469-G471 CarbonylContact C-O 3.55Å; L469-G471 PolarHBondContact N-O 3.42Å; L469-G471 PolarHBondContact O-N 2.95Å; L469-G471 VanDerWaalsContact O-O 3.05Å; L469-W474 HydrophobicContact CB-CB 4.13Å; L469-W474 PolarHBondContact N-O 3.49Å; L469-W474 VanDerWaalsContact N-O 3.09Å; L469-W474 WeakPolarHBondContact O-CB 3.21Å; L469-Q476 HydrophobicContact CB-CG 3.94Å; L469-S541 CarbonylContact C-O 3.45Å; L469-S541 WeakPolarHBondContact CA-O 3.37Å; L469-W542 HydrophobicContact CD1-CB 4.34Å; L469-W585 HydrophobicContact CD1-CE3 4.14Å; L469-W585 HydrophobicContact CD1-CZ3 3.65Å; L469-W585 HydrophobicContact CD2-CE3 4.29Å; L469-W585 HydrophobicContact CD2-CZ3 4.5Å; L469-Y593 HydrophobicContact CD2-CD2 3.87Å; L469-Y593 HydrophobicContact CD2-CE2 3.36Å
470	Y	96.3	Very high	95.8	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.008	12%	0.119	C	C	.	.	S	Bend	trans	62.2	-25.7	-178.2	-53	-51.8	0	0	0	116.1	S541 W542 I549 L579 I580 G584	Y470-S541 PolarHBondContact N-O 3.41Å; Y470-W542 WeakPolarHBondContact CA-O 3.5Å; Y470-W542 HydrophobicContact CD1-CB 3.53Å; Y470-W542 HydrophobicContact CD1-CG 4.49Å; Y470-W542 HydrophobicContact CE1-CB 3.6Å; Y470-W542 HydrophobicContact CE1-CG 4.1Å; Y470-I549 HydrophobicContact CD1-CD1 3.6Å; Y470-I549 HydrophobicContact CE1-CD1 3.88Å; Y470-L579 HydrophobicContact CE2-CB 4.29Å; Y470-L579 WeakPolarHBondContact CE2-O 3.37Å; Y470-I580 HydrophobicContact CD1-CG1 3.97Å; Y470-I580 HydrophobicContact CD2-CB 4.43Å; Y470-I580 HydrophobicContact CD2-CG1 4.32Å; Y470-I580 HydrophobicContact CG-CB 4.32Å; Y470-I580 HydrophobicContact CG-CG1 3.85Å; Y470-G584 VanDerWaalsContact CE2-O 3.29Å; Y470-G584 WeakPolarHBondContact CE2-O 3.42Å; Y470-G584 PolarHBondContact OH-O 3.34Å
471	G	96.6	Very high	95.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-171.1	-175.9	168.4	0	0	0	0	0	108.3	S468 L469 F473 C543 L618	S468-G471 VanDerWaalsContact CB-O 3.29Å; S468-G471 WeakPolarHBondContact CB-O 3.05Å; L469-G471 CarbonylContact C-O 3.55Å; L469-G471 PolarHBondContact N-O 3.42Å; L469-G471 PolarHBondContact O-N 2.95Å; L469-G471 VanDerWaalsContact O-O 3.05Å; G471-F473 PolarHBondContact O-N 3.2Å; G471-C543 PolarHBondContact N-SG 3.02Å; G471-L618 CarbonylContact C-O 3.43Å; G471-L618 WeakPolarHBondContact CA-O 3.41Å
472	F	97.1	Very high	95.6	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.8	177.4	-64.4	-76.8	0	0	0	113.4	R466 W538 C540 A596 F603 A604 P605 I608 L618	R466-F472 PolarHBondContact NH2-O 3.39Å; F472-W538 HydrophobicContact CE1-CB 4.04Å; F472-W538 HydrophobicContact CE1-CG 4.23Å; F472-C540 HydrophobicContact CE1-CB 4.21Å; F472-C540 HydrophobicContact CZ-CB 4.18Å; F472-A596 WeakPolarHBondContact O-CB 3.17Å; F472-F603 HydrophobicContact CB-CE1 4.33Å; F472-F603 HydrophobicContact CB-CZ 4.32Å; F472-F603 WeakPolarHBondContact CD1-O 3.33Å; F472-A604 HydrophobicContact CB-CB 3.79Å; F472-A604 HydrophobicContact CD1-CB 3.91Å; F472-A604 HydrophobicContact CD2-CB 3.72Å; F472-A604 HydrophobicContact CE1-CB 4.48Å; F472-A604 HydrophobicContact CE2-CB 4.33Å; F472-A604 HydrophobicContact CG-CB 3.5Å; F472-A604 VanDerWaalsContact CG-CB 3.5Å; F472-P605 VanDerWaalsContact CE1-CD 3.47Å; F472-P605 HydrophobicContact CE1-CG 4.33Å; F472-P605 HydrophobicContact CZ-CG 3.96Å; F472-I608 HydrophobicContact CD2-CD1 4.41Å; F472-I608 HydrophobicContact CE2-CD1 3.47Å; F472-I608 VanDerWaalsContact CE2-CD1 3.47Å; F472-I608 HydrophobicContact CE2-CG2 4.49Å; F472-I608 HydrophobicContact CZ-CD1 4.01Å; F472-L618 HydrophobicContact CD2-CB 4.13Å; F472-L618 HydrophobicContact CE2-CB 4.38Å; F472-L618 PolarHBondContact N-O 3.43Å
473	F	95.6	Very high	95.6	Very high	14 Å²	14	28.2 Å²	28.2	6%	0.061	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-20.3	179.8	54.9	-98.2	0	0	0	115.4	G471 I580 P595 A596 Y617 L618 E620 N621	G471-F473 PolarHBondContact O-N 3.2Å; F473-I580 HydrophobicContact CE2-CG2 4.44Å; F473-I580 HydrophobicContact CZ-CG2 4.04Å; F473-P595 WeakPolarHBondContact O-CA 3.28Å; F473-A596 PolarHBondContact O-N 3.46Å; F473-Y617 WeakPolarHBondContact CE1-O 3.42Å; F473-L618 WeakPolarHBondContact CD1-O 3.43Å; F473-E620 WeakPolarHBondContact CE1-O 3.4Å; F473-N621 HydrophobicContact CD2-CB 3.66Å; F473-N621 HydrophobicContact CE2-CB 3.55Å; F473-N621 HydrophobicContact CG-CB 4.23Å; F473-N621 HydrophobicContact CZ-CB 4.08Å
474	W	95.3	Very high	95.4	Very high	30 Å²	30	28 Å²	28	11%	0.114	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-102.4	114.7	168.6	-67.4	124.2	0	0	0	110.1	S468 L469 I580 R581 Y593 P595 N621	S468-W474 VanDerWaalsContact CA-O 3.22Å; S468-W474 WeakPolarHBondContact CA-O 3.38Å; L469-W474 HydrophobicContact CB-CB 4.13Å; L469-W474 PolarHBondContact N-O 3.49Å; L469-W474 VanDerWaalsContact N-O 3.09Å; L469-W474 WeakPolarHBondContact O-CB 3.21Å; W474-I580 PolarHBondContact NE1-O 2.85Å; W474-R581 WeakPolarHBondContact CZ2-O 3.43Å; W474-Y593 VanDerWaalsContact CZ3-O 3.24Å; W474-Y593 WeakPolarHBondContact CZ3-O 3.32Å; W474-P595 HydrophobicContact CH2-CG 4.35Å; W474-P595 HydrophobicContact CZ3-CB 4.36Å; W474-P595 HydrophobicContact CZ3-CG 3.75Å; W474-N621 WeakPolarHBondContact CZ2-ND2 3.39Å
475	K	94.4	Very high	95.5	Very high	61 Å²	61	27.2 Å²	27.2	27%	0.265	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.7	177.5	-173.4	177.3	-171.6	170.7	0	110.1	P594 A596 E600	K475-P594 PolarHBondContact N-O 2.91Å; K475-A596 HydrophobicContact CB-CB 4.16Å; K475-E600 IonicContact NZ-OE1 2.77Å; K475-E600 IonicContact NZ-OE2 3.38Å; K475-E600 PolarHBondContact NZ-OE2 2.82Å
476	Q	93	Very high	95.5	Very high	21 Å²	21	27.2 Å²	27.2	10%	0.098	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	148.4	172.8	-60.1	-175.2	-67.1	0	0	110.3	K467 S468 L469 S541 Y593	K467-Q476 HydrophobicContact CB-CB 3.78Å; K467-Q476 HydrophobicContact CB-CG 4.47Å; K467-Q476 PolarHBondContact O-N 2.77Å; S468-Q476 PolarHBondContact O-OE1 2.88Å; L469-Q476 HydrophobicContact CB-CG 3.94Å; Q476-S541 PolarHBondContact OE1-OG 3.36Å; Q476-Y593 HydrophobicContact CB-CD1 4.39Å; Q476-Y593 HydrophobicContact CB-CE1 4.06Å; Q476-Y593 HydrophobicContact CG-CD1 4.34Å; Q476-Y593 HydrophobicContact CG-CE1 3.95Å; Q476-Y593 HydrophobicContact CG-CE2 4.42Å; Q476-Y593 PolarHBondContact NE2-OH 3.38Å
477	F	90.4	Very high	95.5	Very high	127 Å²	127	27.5 Å²	27.5	56%	0.557	15%	0.146	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	146.5	178	-61.4	-67.8	0	0	0	112.8	K467 Y593 P594	K467-F477 WeakPolarHBondContact CE-O 3.5Å; K467-F477 PolarHBondContact NZ-O 2.87Å; F477-Y593 HydrophobicContact CD2-CD1 4.14Å; F477-Y593 HydrophobicContact CD2-CE1 4.34Å; F477-Y593 HydrophobicContact CE2-CD1 4.17Å; F477-P594 HydrophobicContact CE1-CG 4.24Å
478	G	91.5	Very high	95.7	Very high	60 Å²	60	26.2 Å²	26.2	62%	0.619	14%	0.141	S	C	*	.	E	Extended strand (participates in β ladder)	trans	73	-161.5	179.6	0	0	0	0	0	113.3
479	T	93.2	Very high	95.7	Very high	34 Å²	34	29.6 Å²	29.6	21%	0.209	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	167	177.4	61.7	0	0	0	0	111.5	H464 M465 P532 F535	H464-T479 PolarHBondContact ND1-OG1 3.11Å; M465-T479 WeakPolarHBondContact O-CB 3.42Å; T479-P532 HydrophobicContact CG2-CB 4.23Å; T479-P532 WeakPolarHBondContact CG2-O 3.3Å; T479-F535 HydrophobicContact CG2-CD1 3.73Å; T479-F535 HydrophobicContact CG2-CE1 3.25Å; T479-F535 HydrophobicContact CG2-CZ 4.32Å
480	L	95.8	Very high	95.8	Very high	47 Å²	47	29.6 Å²	29.6	25%	0.246	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.7	164.6	-176	68.7	0	0	0	107.9	H464 M465 K467 V482 H539	H464-L480 CarbonylContact C-O 3.52Å; H464-L480 WeakPolarHBondContact CA-O 3.4Å; M465-L480 PolarHBondContact N-O 3.24Å; M465-L480 PolarHBondContact O-N 2.81Å; M465-L480 VanDerWaalsContact O-N 3.11Å; K467-L480 HydrophobicContact CD-CB 3.92Å; K467-L480 HydrophobicContact CG-CB 3.74Å; L480-V482 HydrophobicContact CB-CG2 4.48Å; L480-V482 HydrophobicContact CD1-CG2 4.48Å; L480-V482 HydrophobicContact CD2-CG2 3.46Å; L480-V482 VanDerWaalsContact CD2-CG2 3.46Å; L480-V482 HydrophobicContact CG-CG2 3.49Å; L480-V482 VanDerWaalsContact CG-CG2 3.49Å; L480-H539 HydrophobicContact CB-CB 4.44Å; L480-H539 HydrophobicContact CD2-CB 3.76Å; L480-H539 VanDerWaalsContact CD2-CG 3.44Å
481	E	96.1	Very high	95.9	Very high	92 Å²	92	29.6 Å²	29.6	43%	0.43	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.3	170.6	-174.7	-178	-136.4	0	0	108.6	A462 H464 S528	A462-E481 HydrophobicContact CB-CG 3.8Å; H464-E481 IonicContact CE1-OE1 3.13Å; H464-E481 IonicContact NE2-OE1 3.73Å; H464-E481 PolarHBondContact NE2-OE1 3.42Å; E481-S528 WeakPolarHBondContact OE1-CB 3.4Å; E481-S528 PolarHBondContact OE1-OG 3.02Å
482	V	96	Very high	95.9	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	107.9	-170	-179.4	0	0	0	0	108.4	E441 A462 I463 M465 L480 S484 R503	E441-V482 WeakPolarHBondContact OE1-CG1 3.31Å; E441-V482 WeakPolarHBondContact OE1-CG2 3.23Å; E441-V482 WeakPolarHBondContact OE2-CG1 3.28Å; A462-V482 CarbonylContact C-O 3.51Å; A462-V482 WeakPolarHBondContact CA-O 3.45Å; A462-V482 VanDerWaalsContact CB-O 3.31Å; A462-V482 WeakPolarHBondContact CB-O 3.23Å; I463-V482 PolarHBondContact N-O 3.26Å; I463-V482 PolarHBondContact O-N 3.15Å; M465-V482 HydrophobicContact CE-CB 4.49Å; M465-V482 HydrophobicContact CE-CG2 4.48Å; M465-V482 HydrophobicContact SD-CG2 4.28Å; L480-V482 HydrophobicContact CB-CG2 4.48Å; L480-V482 HydrophobicContact CD1-CG2 4.48Å; L480-V482 HydrophobicContact CD2-CG2 3.46Å; L480-V482 VanDerWaalsContact CD2-CG2 3.46Å; L480-V482 HydrophobicContact CG-CG2 3.49Å; L480-V482 VanDerWaalsContact CG-CG2 3.49Å; V482-S484 VanDerWaalsContact CG1-OG 3.25Å; V482-S484 WeakPolarHBondContact CG1-OG 3.5Å; V482-S484 WeakPolarHBondContact O-CB 3.39Å; V482-S484 PolarHBondContact O-N 2.99Å; V482-S484 PolarHBondContact O-OG 3.46Å; V482-R503 VanDerWaalsContact CG1-CZ 3.48Å
483	V	96.9	Very high	95.9	Very high	28 Å²	28	39 Å²	39	17%	0.17	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	111.6	168.5	-176.8	0	0	0	0	107.5	A462 L502 R503	A462-V483 HydrophobicContact CB-CG2 4.2Å; V483-L502 HydrophobicContact CG1-CD1 3.83Å; V483-L502 HydrophobicContact CG1-CG 4.36Å; V483-L502 WeakPolarHBondContact CG1-O 2.87Å; V483-R503 VanDerWaalsContact O-CD 3.28Å; V483-R503 WeakPolarHBondContact O-CD 3.25Å; V483-R503 PolarHBondContact O-NH1 3.14Å
484	S	95.4	Very high	96	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-25.6	-161.6	-62.4	0	0	0	0	113	V435 I436 N437 F461 V482	V435-S484 CarbonylContact C-O 3.38Å; V435-S484 VanDerWaalsContact CA-O 3.31Å; V435-S484 WeakPolarHBondContact CA-O 3.37Å; I436-S484 PolarHBondContact N-O 3.38Å; N437-S484 PolarHBondContact ND2-OG 3.49Å; F461-S484 PolarHBondContact O-N 2.92Å; V482-S484 VanDerWaalsContact CG1-OG 3.25Å; V482-S484 WeakPolarHBondContact CG1-OG 3.5Å; V482-S484 WeakPolarHBondContact O-CB 3.39Å; V482-S484 PolarHBondContact O-N 2.99Å; V482-S484 PolarHBondContact O-OG 3.46Å
485	G	97.9	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	165.6	-171.1	0	0	0	0	0	116.7	F434 F461	F434-G485 WeakPolarHBondContact O-CA 3.17Å; F461-G485 WeakPolarHBondContact CD1-O 3.47Å; F461-G485 VanDerWaalsContact CZ-CA 3.44Å; F461-G485 PolarHBondContact N-O 2.79Å; F461-G485 PolarHBondContact O-N 3.45Å; F461-G485 VanDerWaalsContact O-N 3.09Å
486	C	98.3	Very high	96.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	178.4	173.2	59.7	0	0	0	0	108.7	F434 P460 M490	F434-C486 PolarHBondContact N-O 3.34Å; F434-C486 PolarHBondContact O-N 2.78Å; F434-C486 VanDerWaalsContact O-N 3.13Å; P460-C486 HydrophobicContact CB-CB 4.34Å; C486-M490 HydrophobicContact CB-CB 4.02Å; C486-M490 HydrophobicContact CB-CG 4.26Å; C486-M490 HydrophobicContact CB-SD 3.76Å
487	T	98.3	Very high	96.3	Very high	8 Å²	8	38.8 Å²	38.8	5%	0.049	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	155.5	168.2	62.5	0	0	0	0	111	D432 W457 E459 R489 M490 L491 Y516	D432-T487 CarbonylContact O-C 3.51Å; D432-T487 WeakPolarHBondContact O-CA 3.36Å; W457-T487 HydrophobicContact CH2-CG2 3.91Å; E459-T487 VanDerWaalsContact CD-OG1 3.3Å; E459-T487 WeakPolarHBondContact OE1-CA 3.29Å; E459-T487 WeakPolarHBondContact OE1-CB 3.44Å; E459-T487 WeakPolarHBondContact OE1-CG2 3.46Å; E459-T487 PolarHBondContact OE1-N 3.39Å; E459-T487 PolarHBondContact OE1-OG1 3.19Å; E459-T487 PolarHBondContact OE2-OG1 2.9Å; T487-R489 PolarHBondContact O-N 2.71Å; T487-M490 PolarHBondContact O-N 2.8Å; T487-M490 VanDerWaalsContact O-N 3.15Å; T487-M490 PolarHBondContact OG1-N 2.78Å; T487-L491 PolarHBondContact O-N 2.97Å; T487-Y516 PolarHBondContact OG1-OH 3.41Å
488	L	98.4	Very high	96.6	Very high	22 Å²	22	33.1 Å²	33.1	12%	0.115	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-29.6	174.7	-73.6	-177.3	0	0	0	112.8	I330 L422 A428 D432 F434 L491 R492	I330-L488 HydrophobicContact CD1-CD1 3.98Å; I330-L488 HydrophobicContact CD1-CD2 4.5Å; L422-L488 HydrophobicContact CD1-CD2 4.06Å; L422-L488 HydrophobicContact CD2-CD2 4.1Å; A428-L488 HydrophobicContact CB-CD1 3.75Å; D432-L488 HydrophobicContact CB-CD1 3.89Å; D432-L488 HydrophobicContact CB-CG 4.24Å; D432-L488 PolarHBondContact O-N 3.17Å; F434-L488 HydrophobicContact CB-CD2 3.85Å; F434-L488 HydrophobicContact CD2-CD2 4.4Å; F434-L488 HydrophobicContact CG-CD2 4.45Å; L488-L491 HydrophobicContact CD2-CD2 4.09Å; L488-R492 WeakPolarHBondContact O-CB 3.33Å; L488-R492 PolarHBondContact O-N 2.85Å
489	R	97.8	Very high	96.8	Very high	72 Å²	72	30.3 Å²	30.3	27%	0.272	15%	0.15	S	C	.	.	H	α-helix	trans	-62.3	-50.7	173.6	-161.4	-171.7	167.6	179.2	-3	111	S430 T487 R492 D493 Y516	S430-R489 VanDerWaalsContact O-CB 3.3Å; S430-R489 WeakPolarHBondContact O-CB 3.38Å; S430-R489 PolarHBondContact O-N 2.85Å; T487-R489 PolarHBondContact O-N 2.71Å; R489-R492 PolarHBondContact O-N 2.9Å; R489-D493 WeakPolarHBondContact CG-OD2 3.22Å; R489-D493 IonicContact NE-OD2 3.1Å; R489-D493 VanDerWaalsContact O-CB 3.32Å; R489-D493 WeakPolarHBondContact O-CB 3.39Å; R489-D493 VanDerWaalsContact O-CG 3.32Å; R489-D493 PolarHBondContact O-N 3.25Å; R489-Y516 HydrophobicContact CB-CE2 4.12Å; R489-Y516 HydrophobicContact CG-CE2 3.76Å
490	M	97.7	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-43.7	178	-170.8	-178.8	-176.8	0	0	111.2	E459 P460 C486 T487 R492 D493 V494 Y495 Y507 Y516	E459-M490 HydrophobicContact CB-SD 3.39Å; E459-M490 WeakPolarHBondContact CB-SD 3.42Å; E459-M490 HydrophobicContact CG-SD 4.48Å; P460-M490 HydrophobicContact CB-CE 4.26Å; P460-M490 HydrophobicContact CB-SD 4.25Å; P460-M490 HydrophobicContact CG-CE 4.24Å; C486-M490 HydrophobicContact CB-CB 4.02Å; C486-M490 HydrophobicContact CB-CG 4.26Å; C486-M490 HydrophobicContact CB-SD 3.76Å; T487-M490 PolarHBondContact O-N 2.8Å; T487-M490 VanDerWaalsContact O-N 3.15Å; T487-M490 PolarHBondContact OG1-N 2.78Å; M490-R492 VanDerWaalsContact C-N 3.26Å; M490-R492 PolarHBondContact O-N 3.14Å; M490-D493 PolarHBondContact O-N 3.4Å; M490-V494 HydrophobicContact CE-CG1 4.33Å; M490-V494 HydrophobicContact CE-CG2 4.48Å; M490-V494 HydrophobicContact CG-CB 4.03Å; M490-V494 HydrophobicContact CG-CG2 3.82Å; M490-V494 WeakPolarHBondContact O-CA 3.49Å; M490-V494 WeakPolarHBondContact O-CB 3.38Å; M490-V494 PolarHBondContact O-N 3.04Å; M490-Y495 HydrophobicContact CE-CE2 3.67Å; M490-Y495 HydrophobicContact CG-CD2 4.27Å; M490-Y495 HydrophobicContact CG-CE2 4.03Å; M490-Y495 PolarHBondContact O-N 2.81Å; M490-Y495 HydrophobicContact SD-CE2 4.07Å; M490-Y507 HydrophobicContact CE-CD2 4.32Å; M490-Y507 HydrophobicContact CE-CG 4.26Å; M490-Y516 HydrophobicContact CB-CE1 3.97Å; M490-Y516 HydrophobicContact CB-CE2 4.21Å; M490-Y516 HydrophobicContact CG-CD1 4.37Å; M490-Y516 HydrophobicContact CG-CE1 3.91Å; M490-Y516 HydrophobicContact SD-CE1 4.47Å
491	L	98	Very high	97	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-54.1	-45.3	176.5	-174.3	67.7	0	0	0	111.3	T418 L422 F434 T487 L488 Y495 D496 G497	T418-L491 HydrophobicContact CG2-CD2 4.05Å; L422-L491 HydrophobicContact CD1-CD2 3.48Å; L422-L491 VanDerWaalsContact CD1-CD2 3.48Å; F434-L491 HydrophobicContact CB-CD2 4.14Å; F434-L491 HydrophobicContact CD1-CD1 4.14Å; F434-L491 HydrophobicContact CD1-CD2 3.69Å; F434-L491 HydrophobicContact CD1-CG 4.49Å; F434-L491 HydrophobicContact CD2-CD2 4Å; F434-L491 HydrophobicContact CE1-CD1 4.21Å; F434-L491 HydrophobicContact CE1-CD2 4.01Å; F434-L491 HydrophobicContact CE2-CD2 4.3Å; F434-L491 HydrophobicContact CG-CD2 3.68Å; F434-L491 HydrophobicContact CZ-CD2 4.3Å; T487-L491 PolarHBondContact O-N 2.97Å; L488-L491 HydrophobicContact CD2-CD2 4.09Å; L491-Y495 CarbonylContact O-C 3.58Å; L491-Y495 WeakPolarHBondContact O-CA 3.18Å; L491-Y495 VanDerWaalsContact O-CB 3.32Å; L491-Y495 WeakPolarHBondContact O-CB 3.34Å; L491-Y495 PolarHBondContact O-N 2.85Å; L491-D496 PolarHBondContact O-N 2.96Å; L491-D496 VanDerWaalsContact O-N 3.12Å; L491-G497 PolarHBondContact O-N 2.75Å
492	R	97.4	Very high	97	Very high	144 Å²	144	24.1 Å²	24.1	54%	0.543	12%	0.117	S	C	.	.	H	α-helix	trans	-71.8	-52.3	178.4	-174.5	-169.3	65.8	-149.9	-6.2	112.5	L488 R489 M490 D496	L488-R492 WeakPolarHBondContact O-CB 3.33Å; L488-R492 PolarHBondContact O-N 2.85Å; R489-R492 PolarHBondContact O-N 2.9Å; M490-R492 VanDerWaalsContact C-N 3.26Å; M490-R492 PolarHBondContact O-N 3.14Å; R492-D496 WeakPolarHBondContact O-CA 3.3Å; R492-D496 PolarHBondContact O-N 3.12Å
493	D	97.2	Very high	96.9	Very high	54 Å²	54	26.6 Å²	26.6	29%	0.289	13%	0.126	S	C	.	.	H	α-helix	trans	-81.4	-29.2	-166.4	-63.8	-10.6	0	0	0	112.7	R489 M490 G512 Y516	R489-D493 WeakPolarHBondContact CG-OD2 3.22Å; R489-D493 IonicContact NE-OD2 3.1Å; R489-D493 VanDerWaalsContact O-CB 3.32Å; R489-D493 WeakPolarHBondContact O-CB 3.39Å; R489-D493 VanDerWaalsContact O-CG 3.32Å; R489-D493 PolarHBondContact O-N 3.25Å; M490-D493 PolarHBondContact O-N 3.4Å; D493-G512 WeakPolarHBondContact O-CA 3.35Å; D493-Y516 HydrophobicContact CB-CD2 3.82Å
494	V	96.8	Very high	96.6	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.03	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-42.7	-179	-176.5	0	0	0	0	111.4	M490 M510 F513 Y516	M490-V494 HydrophobicContact CE-CG1 4.33Å; M490-V494 HydrophobicContact CE-CG2 4.48Å; M490-V494 HydrophobicContact CG-CB 4.03Å; M490-V494 HydrophobicContact CG-CG2 3.82Å; M490-V494 WeakPolarHBondContact O-CA 3.49Å; M490-V494 WeakPolarHBondContact O-CB 3.38Å; M490-V494 PolarHBondContact O-N 3.04Å; V494-M510 HydrophobicContact CG1-CB 3.74Å; V494-M510 HydrophobicContact CG1-CG 4.16Å; V494-M510 VanDerWaalsContact O-CE 3.24Å; V494-M510 WeakPolarHBondContact O-CE 3.42Å; V494-F513 HydrophobicContact CG1-CB 4.3Å; V494-Y516 HydrophobicContact CG2-CD1 3.73Å; V494-Y516 HydrophobicContact CG2-CD2 4.21Å; V494-Y516 HydrophobicContact CG2-CG 3.57Å
495	Y	97	Very high	96.1	Very high	1 Å²	1	37 Å²	37	0%	0.004	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	9.4	-175.2	-58.6	-74.9	0	0	0	114	M490 L491 G497 D498 K501 L502 Y507	M490-Y495 HydrophobicContact CE-CE2 3.67Å; M490-Y495 HydrophobicContact CG-CD2 4.27Å; M490-Y495 HydrophobicContact CG-CE2 4.03Å; M490-Y495 PolarHBondContact O-N 2.81Å; M490-Y495 HydrophobicContact SD-CE2 4.07Å; L491-Y495 CarbonylContact O-C 3.58Å; L491-Y495 WeakPolarHBondContact O-CA 3.18Å; L491-Y495 VanDerWaalsContact O-CB 3.32Å; L491-Y495 WeakPolarHBondContact O-CB 3.34Å; L491-Y495 PolarHBondContact O-N 2.85Å; Y495-G497 PolarHBondContact O-N 2.86Å; Y495-D498 WeakPolarHBondContact O-CB 3.43Å; Y495-D498 PolarHBondContact O-N 3.33Å; Y495-K501 HydrophobicContact CD1-CB 3.84Å; Y495-K501 HydrophobicContact CG-CB 4.49Å; Y495-K501 WeakPolarHBondContact O-CD 3.28Å; Y495-L502 HydrophobicContact CD1-CB 4.37Å; Y495-L502 HydrophobicContact CD2-CB 4.38Å; Y495-L502 HydrophobicContact CD2-CD1 4.45Å; Y495-L502 HydrophobicContact CE1-CB 4.33Å; Y495-L502 HydrophobicContact CE1-CD1 4.46Å; Y495-L502 HydrophobicContact CE2-CB 4.34Å; Y495-L502 HydrophobicContact CE2-CD1 3.68Å; Y495-L502 HydrophobicContact CG-CB 4.36Å; Y495-L502 WeakPolarHBondContact OH-CD1 3.33Å; Y495-Y507 WeakPolarHBondContact OH-CB 3.47Å
496	D	96.1	Very high	95.6	Very high	95 Å²	95	42.1 Å²	42.1	51%	0.508	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	38	174.6	175.7	54.6	0	0	0	112.5	R419 L491 R492 D498 K501	R419-D496 IonicContact NH2-OD2 3.51Å; R419-D496 PolarHBondContact NH2-OD2 2.77Å; L491-D496 PolarHBondContact O-N 2.96Å; L491-D496 VanDerWaalsContact O-N 3.12Å; R492-D496 WeakPolarHBondContact O-CA 3.3Å; R492-D496 PolarHBondContact O-N 3.12Å; D496-D498 PolarHBondContact O-N 2.81Å; D496-K501 IonicContact OD2-NZ 3.34Å; D496-K501 PolarHBondContact OD2-NZ 2.94Å
497	G	96.1	Very high	95.1	Very high	20 Å²	20	43.4 Å²	43.4	21%	0.206	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	22.2	178.9	0	0	0	0	0	114.1	T418 L491 Y495	T418-G497 VanDerWaalsContact CG2-O 3.24Å; T418-G497 WeakPolarHBondContact CG2-O 3.45Å; L491-G497 PolarHBondContact O-N 2.75Å; Y495-G497 PolarHBondContact O-N 2.86Å
498	D	96.7	Very high	94.7	Very high	9 Å²	9	48.9 Å²	48.9	5%	0.048	21%	0.212	C	C	.	.			trans	-121.2	111.8	-170.5	-171.3	-2.4	0	0	0	112.6	T415 Y495 D496 I500 K501	T415-D498 WeakPolarHBondContact CA-OD1 3.49Å; T415-D498 PolarHBondContact OG1-OD1 3.03Å; Y495-D498 WeakPolarHBondContact O-CB 3.43Å; Y495-D498 PolarHBondContact O-N 3.33Å; D496-D498 PolarHBondContact O-N 2.81Å; D498-I500 VanDerWaalsContact C-N 3.29Å; D498-I500 PolarHBondContact O-N 2.99Å; D498-I500 WeakPolarHBondContact OD1-CG2 3.33Å; D498-I500 PolarHBondContact OD1-N 2.77Å; D498-K501 HydrophobicContact CB-CD 4.06Å; D498-K501 HydrophobicContact CB-CG 4.07Å; D498-K501 PolarHBondContact O-N 2.91Å; D498-K501 WeakPolarHBondContact OD2-CE 3.12Å
499	G	96.4	Very high	94.4	Very high	0 Å²	0	52 Å²	52	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-25.4	-175.8	0	0	0	0	0	113.8	T418 K501 L502 R503	T418-G499 WeakPolarHBondContact OG1-CA 3.49Å; T418-G499 PolarHBondContact OG1-N 3.11Å; G499-K501 VanDerWaalsContact C-N 3.31Å; G499-K501 PolarHBondContact O-N 3.08Å; G499-L502 WeakPolarHBondContact O-CB 3.4Å; G499-L502 PolarHBondContact O-N 3.42Å; G499-R503 WeakPolarHBondContact O-CG 3.48Å; G499-R503 PolarHBondContact O-N 3.17Å; G499-R503 VanDerWaalsContact O-N 3.16Å
500	I	96.1	Very high	94.1	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.062	22%	0.223	C	C	.	.	H	α-helix	trans	-69.4	-33.5	176.2	-166.9	67.3	0	0	0	111.6	D411 R414 T415 D498 L502 R503 R504	D411-I500 HydrophobicContact CB-CD1 4.46Å; D411-I500 HydrophobicContact CB-CG1 3.98Å; D411-I500 WeakPolarHBondContact OD1-CD1 3.48Å; D411-I500 WeakPolarHBondContact OD1-CG1 3.39Å; R414-I500 HydrophobicContact CB-CB 4.09Å; R414-I500 HydrophobicContact CB-CD1 4.11Å; R414-I500 HydrophobicContact CG-CD1 4.38Å; T415-I500 WeakPolarHBondContact OG1-CG2 3.42Å; D498-I500 VanDerWaalsContact C-N 3.29Å; D498-I500 PolarHBondContact O-N 2.99Å; D498-I500 WeakPolarHBondContact OD1-CG2 3.33Å; D498-I500 PolarHBondContact OD1-N 2.77Å; I500-L502 VanDerWaalsContact C-N 3.27Å; I500-L502 PolarHBondContact O-N 3.41Å; I500-R503 HydrophobicContact CD1-CB 4.32Å; I500-R503 PolarHBondContact O-N 3.39Å; I500-R504 HydrophobicContact CD1-CG 4Å; I500-R504 HydrophobicContact CG1-CG 4.2Å; I500-R504 PolarHBondContact O-N 2.9Å
501	K	96.2	Very high	93.8	Very high	29 Å²	29	55.4 Å²	55.4	13%	0.126	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-36.6	177.1	-60	-175.4	-166.6	163.2	0	110.6	Y495 D496 D498 G499 R503 R505 M510	Y495-K501 HydrophobicContact CD1-CB 3.84Å; Y495-K501 HydrophobicContact CG-CB 4.49Å; Y495-K501 WeakPolarHBondContact O-CD 3.28Å; D496-K501 IonicContact OD2-NZ 3.34Å; D496-K501 PolarHBondContact OD2-NZ 2.94Å; D498-K501 HydrophobicContact CB-CD 4.06Å; D498-K501 HydrophobicContact CB-CG 4.07Å; D498-K501 PolarHBondContact O-N 2.91Å; D498-K501 WeakPolarHBondContact OD2-CE 3.12Å; G499-K501 VanDerWaalsContact C-N 3.31Å; G499-K501 PolarHBondContact O-N 3.08Å; K501-R503 VanDerWaalsContact C-N 3.34Å; K501-R505 HydrophobicContact CB-CG 4.31Å; K501-R505 WeakPolarHBondContact O-CA 3.41Å; K501-R505 VanDerWaalsContact O-CB 3.23Å; K501-R505 WeakPolarHBondContact O-CB 3.49Å; K501-R505 PolarHBondContact O-N 3Å; K501-M510 HydrophobicContact CB-CE 4.47Å; K501-M510 HydrophobicContact CD-CE 3.88Å
502	L	96.1	Very high	93.6	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-39.1	170.7	173.3	64.7	0	0	0	112.3	F434 I436 P460 V483 Y495 G499 I500	F434-L502 HydrophobicContact CD1-CD2 4.25Å; F434-L502 HydrophobicContact CE1-CD2 4.47Å; I436-L502 HydrophobicContact CG2-CD2 4Å; P460-L502 HydrophobicContact CB-CD1 3.84Å; V483-L502 HydrophobicContact CG1-CD1 3.83Å; V483-L502 HydrophobicContact CG1-CG 4.36Å; V483-L502 WeakPolarHBondContact CG1-O 2.87Å; Y495-L502 HydrophobicContact CD1-CB 4.37Å; Y495-L502 HydrophobicContact CD2-CB 4.38Å; Y495-L502 HydrophobicContact CD2-CD1 4.45Å; Y495-L502 HydrophobicContact CE1-CB 4.33Å; Y495-L502 HydrophobicContact CE1-CD1 4.46Å; Y495-L502 HydrophobicContact CE2-CB 4.34Å; Y495-L502 HydrophobicContact CE2-CD1 3.68Å; Y495-L502 HydrophobicContact CG-CB 4.36Å; Y495-L502 WeakPolarHBondContact OH-CD1 3.33Å; G499-L502 WeakPolarHBondContact O-CB 3.4Å; G499-L502 PolarHBondContact O-N 3.42Å; I500-L502 VanDerWaalsContact C-N 3.27Å; I500-L502 PolarHBondContact O-N 3.41Å
503	R	94.6	Very high	93.4	Very high	55 Å²	55	49.8 Å²	49.8	21%	0.208	25%	0.248	C	C	.	.	H	α-helix	trans	-72.6	-33.7	-179.7	-68	-70.3	-71.3	140.8	-12	113.7	I436 E441 V482 V483 G499 I500 K501	I436-R503 HydrophobicContact CG2-CG 4.03Å; E441-R503 IonicContact OE1-NH2 3.7Å; E441-R503 PolarHBondContact OE1-NH2 3.49Å; E441-R503 VanDerWaalsContact OE1-NH2 3.09Å; E441-R503 IonicContact OE2-NH2 2.76Å; V482-R503 VanDerWaalsContact CG1-CZ 3.48Å; V483-R503 VanDerWaalsContact O-CD 3.28Å; V483-R503 WeakPolarHBondContact O-CD 3.25Å; V483-R503 PolarHBondContact O-NH1 3.14Å; G499-R503 WeakPolarHBondContact O-CG 3.48Å; G499-R503 PolarHBondContact O-N 3.17Å; G499-R503 VanDerWaalsContact O-N 3.16Å; I500-R503 HydrophobicContact CD1-CB 4.32Å; I500-R503 PolarHBondContact O-N 3.39Å; K501-R503 VanDerWaalsContact C-N 3.34Å
504	R	90.4	Very high	93.3	Very high	103 Å²	103	54.7 Å²	54.7	39%	0.389	26%	0.262	S	S	.	.	H	α-helix	trans	-118.5	-21.9	-167.6	-66.5	-168.6	172.5	-169.1	3.8	115.9	W407 D410 D411 I500	W407-R504 VanDerWaalsContact CZ3-NH2 3.31Å; D410-R504 IonicContact OD2-CZ 3.82Å; D410-R504 IonicContact OD2-NH2 3.93Å; D410-R504 PolarHBondContact OD2-NH2 3.33Å; D411-R504 WeakPolarHBondContact OD1-CD 3.26Å; D411-R504 IonicContact OD1-CZ 3.47Å; D411-R504 IonicContact OD1-NE 3.4Å; D411-R504 PolarHBondContact OD1-NE 2.95Å; D411-R504 IonicContact OD1-NH1 3.55Å; D411-R504 PolarHBondContact OD1-NH1 2.72Å; D411-R504 IonicContact OD1-NH2 2.79Å; D411-R504 PolarHBondContact OD1-NH2 2.73Å; D411-R504 VanDerWaalsContact OD1-NH2 3.1Å; D411-R504 IonicContact OD2-CZ 3.09Å; D411-R504 IonicContact OD2-NH1 3.64Å; D411-R504 PolarHBondContact OD2-NH1 2.94Å; I500-R504 HydrophobicContact CD1-CG 4Å; I500-R504 HydrophobicContact CG1-CG 4.2Å; I500-R504 PolarHBondContact O-N 2.9Å
505	R	84.3	Confident	93.2	Very high	144 Å²	144	61.2 Å²	61.2	54%	0.543	29%	0.29	S	S	.	.	S	Bend	trans	-107	140.4	-172.5	-57.6	-172.4	-178.8	-136.1	-1	111.7	K501 Y507 M510	K501-R505 HydrophobicContact CB-CG 4.31Å; K501-R505 WeakPolarHBondContact O-CA 3.41Å; K501-R505 VanDerWaalsContact O-CB 3.23Å; K501-R505 WeakPolarHBondContact O-CB 3.49Å; K501-R505 PolarHBondContact O-N 3Å; R505-Y507 PolarHBondContact O-N 2.93Å; R505-M510 HydrophobicContact CB-SD 3.94Å; R505-M510 HydrophobicContact CG-SD 4.45Å
506	E	86.8	Confident	93.2	Very high	108 Å²	108	61.5 Å²	61.5	51%	0.505	29%	0.291	S	S	.	.			trans	-73.1	115.7	173.8	-65.1	176.7	166.9	0	0	109.7	Y508 T509	E506-Y508 HydrophobicContact CB-CD1 4.27Å; E506-Y508 HydrophobicContact CB-CD2 4.49Å; E506-Y508 HydrophobicContact CB-CE1 3.8Å; E506-Y508 HydrophobicContact CB-CE2 4Å; E506-Y508 HydrophobicContact CG-CE1 4.25Å; E506-Y508 PolarHBondContact O-N 3.24Å; E506-Y508 VanDerWaalsContact O-N 3.13Å; E506-Y508 PolarHBondContact OE1-OH 3.29Å; E506-Y508 VanDerWaalsContact OE2-CE2 3.27Å; E506-Y508 WeakPolarHBondContact OE2-CE2 3.03Å; E506-Y508 PolarHBondContact OE2-OH 3.28Å; E506-T509 HydrophobicContact CB-CG2 4.06Å; E506-T509 PolarHBondContact O-N 3.48Å; E506-T509 PolarHBondContact O-OG1 2.91Å
507	Y	88.7	Confident	93.1	Very high	27 Å²	27	58.7 Å²	58.7	11%	0.106	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-53.9	-36.7	-174.3	67.5	-85.7	0	0	0	113.6	P460 M490 Y495 R505 T509 M510 F513 L524 Q526	P460-Y507 HydrophobicContact CG-CD1 3.84Å; P460-Y507 HydrophobicContact CG-CE1 4.34Å; P460-Y507 HydrophobicContact CG-CG 4.28Å; M490-Y507 HydrophobicContact CE-CD2 4.32Å; M490-Y507 HydrophobicContact CE-CG 4.26Å; Y495-Y507 WeakPolarHBondContact OH-CB 3.47Å; R505-Y507 PolarHBondContact O-N 2.93Å; Y507-T509 PolarHBondContact O-N 2.79Å; Y507-M510 VanDerWaalsContact O-CB 3.29Å; Y507-M510 WeakPolarHBondContact O-CB 3.49Å; Y507-M510 PolarHBondContact O-N 2.81Å; Y507-F513 AromaticContact CD2-CD2 3.65Å; Y507-F513 HydrophobicContact CD2-CD2 3.65Å; Y507-F513 AromaticContact CD2-CE2 3.39Å; Y507-F513 HydrophobicContact CD2-CE2 3.39Å; Y507-F513 HydrophobicContact CD2-CG 4.49Å; Y507-F513 HydrophobicContact CD2-CZ 4.08Å; Y507-F513 HydrophobicContact CE2-CD2 4.24Å; Y507-F513 AromaticContact CE2-CE2 3.51Å; Y507-F513 HydrophobicContact CE2-CE2 3.51Å; Y507-F513 AromaticContact CE2-CZ 3.85Å; Y507-F513 HydrophobicContact CE2-CZ 3.85Å; Y507-F513 VanDerWaalsContact O-CB 3.26Å; Y507-F513 WeakPolarHBondContact O-CB 3.28Å; Y507-L524 HydrophobicContact CE2-CB 4.35Å; Y507-L524 WeakPolarHBondContact CE2-O 3.38Å; Y507-L524 PolarHBondContact OH-O 3.16Å; Y507-Q526 HydrophobicContact CE1-CB 3.83Å; Y507-Q526 PolarHBondContact OH-N 2.82Å
508	Y	90.8	Very high	93	Very high	122 Å²	122	63.7 Å²	63.7	48%	0.478	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-69.8	-15.6	-178.9	55	-100.7	0	0	0	114.1	E506	E506-Y508 HydrophobicContact CB-CD1 4.27Å; E506-Y508 HydrophobicContact CB-CD2 4.49Å; E506-Y508 HydrophobicContact CB-CE1 3.8Å; E506-Y508 HydrophobicContact CB-CE2 4Å; E506-Y508 HydrophobicContact CG-CE1 4.25Å; E506-Y508 PolarHBondContact O-N 3.24Å; E506-Y508 VanDerWaalsContact O-N 3.13Å; E506-Y508 PolarHBondContact OE1-OH 3.29Å; E506-Y508 VanDerWaalsContact OE2-CE2 3.27Å; E506-Y508 WeakPolarHBondContact OE2-CE2 3.03Å; E506-Y508 PolarHBondContact OE2-OH 3.28Å
509	T	91.1	Very high	92.9	Very high	88 Å²	88	67.5 Å²	67.5	54%	0.54	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-88.6	-10.1	173.8	69.3	0	0	0	0	112.6	E506 Y507	E506-T509 HydrophobicContact CB-CG2 4.06Å; E506-T509 PolarHBondContact O-N 3.48Å; E506-T509 PolarHBondContact O-OG1 2.91Å; Y507-T509 PolarHBondContact O-N 2.79Å
510	M	92.1	Very high	92.7	Very high	16 Å²	16	68.8 Å²	68.8	8%	0.079	33%	0.325	C	S	.	.	S	Bend	trans	-77	137.3	-175.4	-63.2	-62.6	-68.8	0	0	111.2	V494 K501 R505 Y507 G512 F513	V494-M510 HydrophobicContact CG1-CB 3.74Å; V494-M510 HydrophobicContact CG1-CG 4.16Å; V494-M510 VanDerWaalsContact O-CE 3.24Å; V494-M510 WeakPolarHBondContact O-CE 3.42Å; K501-M510 HydrophobicContact CB-CE 4.47Å; K501-M510 HydrophobicContact CD-CE 3.88Å; R505-M510 HydrophobicContact CB-SD 3.94Å; R505-M510 HydrophobicContact CG-SD 4.45Å; Y507-M510 VanDerWaalsContact O-CB 3.29Å; Y507-M510 WeakPolarHBondContact O-CB 3.49Å; Y507-M510 PolarHBondContact O-N 2.81Å; M510-G512 VanDerWaalsContact C-N 3.26Å; M510-G512 PolarHBondContact O-N 3.33Å; M510-G512 VanDerWaalsContact O-N 3.17Å; M510-F513 WeakPolarHBondContact O-CB 3.49Å; M510-F513 PolarHBondContact O-N 2.9Å
511	P	91.4	Very high	92.4	Very high	127 Å²	127	71.4 Å²	71.4	83%	0.825	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.8	-176.6	-26.4	34	0	0	0	114.4	F513	P511-F513 VanDerWaalsContact C-N 3.28Å; P511-F513 PolarHBondContact O-N 3.47Å
512	G	92.4	Very high	91.9	Very high	21 Å²	21	75.7 Å²	75.7	22%	0.216	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.8	-179.9	0	0	0	0	0	114.7	D493 M510 K515 Y516	D493-G512 WeakPolarHBondContact O-CA 3.35Å; M510-G512 VanDerWaalsContact C-N 3.26Å; M510-G512 PolarHBondContact O-N 3.33Å; M510-G512 VanDerWaalsContact O-N 3.17Å; G512-K515 PolarHBondContact O-N 3.17Å; G512-Y516 WeakPolarHBondContact O-CB 3.25Å; G512-Y516 PolarHBondContact O-N 3.18Å
513	F	94.2	Very high	91.4	Very high	8 Å²	8	82.3 Å²	82.3	4%	0.035	41%	0.409	C	S	.	.	H	α-helix	trans	-61	-53	-170.9	171.2	-113.4	0	0	0	113.6	V494 Y507 M510 P511 K515 Y516 E517 L524	V494-F513 HydrophobicContact CG1-CB 4.3Å; Y507-F513 AromaticContact CD2-CD2 3.65Å; Y507-F513 HydrophobicContact CD2-CD2 3.65Å; Y507-F513 AromaticContact CD2-CE2 3.39Å; Y507-F513 HydrophobicContact CD2-CE2 3.39Å; Y507-F513 HydrophobicContact CD2-CG 4.49Å; Y507-F513 HydrophobicContact CD2-CZ 4.08Å; Y507-F513 HydrophobicContact CE2-CD2 4.24Å; Y507-F513 AromaticContact CE2-CE2 3.51Å; Y507-F513 HydrophobicContact CE2-CE2 3.51Å; Y507-F513 AromaticContact CE2-CZ 3.85Å; Y507-F513 HydrophobicContact CE2-CZ 3.85Å; Y507-F513 VanDerWaalsContact O-CB 3.26Å; Y507-F513 WeakPolarHBondContact O-CB 3.28Å; M510-F513 WeakPolarHBondContact O-CB 3.49Å; M510-F513 PolarHBondContact O-N 2.9Å; P511-F513 VanDerWaalsContact C-N 3.28Å; P511-F513 PolarHBondContact O-N 3.47Å; F513-K515 VanDerWaalsContact C-N 3.29Å; F513-K515 PolarHBondContact O-N 3.27Å; F513-Y516 WeakPolarHBondContact O-CB 3.39Å; F513-Y516 PolarHBondContact O-N 3.37Å; F513-Y516 VanDerWaalsContact O-N 3.12Å; F513-E517 WeakPolarHBondContact O-CB 3.25Å; F513-E517 PolarHBondContact O-N 3.4Å; F513-L524 HydrophobicContact CD2-CD1 4.21Å; F513-L524 HydrophobicContact CE2-CB 3.87Å; F513-L524 HydrophobicContact CE2-CD1 3.71Å; F513-L524 HydrophobicContact CE2-CG 4.42Å; F513-L524 HydrophobicContact CZ-CB 4.43Å
514	R	94.6	Very high	91.2	Very high	156 Å²	156	80 Å²	80	59%	0.589	40%	0.401	S	S	*	.	H	α-helix	trans	-62.4	-38.1	-176.6	-68.8	-60.4	-173.8	-173.4	1.1	112.6	E517 N518	R514-E517 IonicContact CZ-OE2 3.16Å; R514-E517 IonicContact NH1-OE2 3.32Å; R514-E517 PolarHBondContact NH1-OE2 3.17Å; R514-N518 WeakPolarHBondContact O-CB 3.42Å; R514-N518 PolarHBondContact O-N 3.27Å; R514-N518 VanDerWaalsContact O-N 3.11Å; R514-N518 PolarHBondContact O-ND2 3.29Å
515	K	95.4	Very high	91.3	Very high	143 Å²	143	78 Å²	78	62%	0.622	40%	0.401	S	S	*	.	H	α-helix	trans	-64.5	-48	174.1	-175.9	-176.3	174.6	-170.8	0	110.7	G512 F513 E517 N518 D519	G512-K515 PolarHBondContact O-N 3.17Å; F513-K515 VanDerWaalsContact C-N 3.29Å; F513-K515 PolarHBondContact O-N 3.27Å; K515-E517 PolarHBondContact O-N 3.13Å; K515-N518 PolarHBondContact O-N 3Å; K515-D519 WeakPolarHBondContact O-CB 3.42Å; K515-D519 PolarHBondContact O-N 2.8Å
516	Y	95.9	Very high	91.8	Very high	6 Å²	6	74.3 Å²	74.3	2%	0.024	39%	0.39	C	S	.	.	H	α-helix	trans	-61.1	-42.5	179.1	-177.4	-100.4	0	0	0	112.8	E459 T487 R489 M490 D493 V494 G512 F513 D519 T520 L524	E459-Y516 PolarHBondContact OE2-OH 3.39Å; T487-Y516 PolarHBondContact OG1-OH 3.41Å; R489-Y516 HydrophobicContact CB-CE2 4.12Å; R489-Y516 HydrophobicContact CG-CE2 3.76Å; M490-Y516 HydrophobicContact CB-CE1 3.97Å; M490-Y516 HydrophobicContact CB-CE2 4.21Å; M490-Y516 HydrophobicContact CG-CD1 4.37Å; M490-Y516 HydrophobicContact CG-CE1 3.91Å; M490-Y516 HydrophobicContact SD-CE1 4.47Å; D493-Y516 HydrophobicContact CB-CD2 3.82Å; V494-Y516 HydrophobicContact CG2-CD1 3.73Å; V494-Y516 HydrophobicContact CG2-CD2 4.21Å; V494-Y516 HydrophobicContact CG2-CG 3.57Å; G512-Y516 WeakPolarHBondContact O-CB 3.25Å; G512-Y516 PolarHBondContact O-N 3.18Å; F513-Y516 WeakPolarHBondContact O-CB 3.39Å; F513-Y516 PolarHBondContact O-N 3.37Å; F513-Y516 VanDerWaalsContact O-N 3.12Å; Y516-D519 PolarHBondContact O-N 2.83Å; Y516-T520 HydrophobicContact CD1-CG2 4.42Å; Y516-T520 HydrophobicContact CD2-CG2 4.32Å; Y516-T520 HydrophobicContact CE1-CG2 4.04Å; Y516-T520 HydrophobicContact CE2-CG2 3.94Å; Y516-T520 WeakPolarHBondContact O-CB 3.22Å; Y516-T520 VanDerWaalsContact O-CG2 3.3Å; Y516-T520 WeakPolarHBondContact O-CG2 3.32Å; Y516-T520 PolarHBondContact O-N 3.37Å; Y516-T520 PolarHBondContact O-OG1 3.25Å; Y516-L524 HydrophobicContact CD1-CD1 3.38Å; Y516-L524 HydrophobicContact CE1-CD1 3.65Å; Y516-L524 HydrophobicContact CE1-CD2 4.16Å
517	E	94.8	Very high	92.3	Very high	37 Å²	37	69.2 Å²	69.2	17%	0.173	37%	0.366	C	S	.	.	H	α-helix	trans	-58.4	-48	174.3	-175.8	172.6	-126.4	0	0	111.3	F513 R514 K515 T520 G521 L524	F513-E517 WeakPolarHBondContact O-CB 3.25Å; F513-E517 PolarHBondContact O-N 3.4Å; R514-E517 IonicContact CZ-OE2 3.16Å; R514-E517 IonicContact NH1-OE2 3.32Å; R514-E517 PolarHBondContact NH1-OE2 3.17Å; K515-E517 PolarHBondContact O-N 3.13Å; E517-T520 PolarHBondContact O-N 3.04Å; E517-T520 PolarHBondContact O-OG1 3.46Å; E517-G521 PolarHBondContact O-N 3.12Å; E517-L524 HydrophobicContact CB-CD1 4.12Å
518	N	94.6	Very high	92.7	Very high	124 Å²	124	68 Å²	68	66%	0.663	36%	0.361	S	S	*	.	H	α-helix	trans	-64.4	-44	177.3	-69.5	-18.1	0	0	0	112.7	R514 K515 T520 G521	R514-N518 WeakPolarHBondContact O-CB 3.42Å; R514-N518 PolarHBondContact O-N 3.27Å; R514-N518 VanDerWaalsContact O-N 3.11Å; R514-N518 PolarHBondContact O-ND2 3.29Å; K515-N518 PolarHBondContact O-N 3Å; N518-T520 VanDerWaalsContact C-N 3.28Å; N518-T520 PolarHBondContact O-N 3.19Å; N518-G521 PolarHBondContact O-N 3.2Å
519	D	94.9	Very high	93.1	Very high	89 Å²	89	62.3 Å²	62.3	48%	0.476	34%	0.339	S	S	.	.	H	α-helix	trans	-70.5	-24.4	-177.1	-69.5	-10.1	0	0	0	112.7	K515 Y516	K515-D519 WeakPolarHBondContact O-CB 3.42Å; K515-D519 PolarHBondContact O-N 2.8Å; Y516-D519 PolarHBondContact O-N 2.83Å
520	T	92.1	Very high	93.4	Very high	27 Å²	27	58.1 Å²	58.1	17%	0.166	31%	0.314	C	S	.	.	H	α-helix	trans	-91.6	-25.8	176.4	55.2	0	0	0	0	112.3	Y516 E517 N518 H522	Y516-T520 HydrophobicContact CD1-CG2 4.42Å; Y516-T520 HydrophobicContact CD2-CG2 4.32Å; Y516-T520 HydrophobicContact CE1-CG2 4.04Å; Y516-T520 HydrophobicContact CE2-CG2 3.94Å; Y516-T520 WeakPolarHBondContact O-CB 3.22Å; Y516-T520 VanDerWaalsContact O-CG2 3.3Å; Y516-T520 WeakPolarHBondContact O-CG2 3.32Å; Y516-T520 PolarHBondContact O-N 3.37Å; Y516-T520 PolarHBondContact O-OG1 3.25Å; E517-T520 PolarHBondContact O-N 3.04Å; E517-T520 PolarHBondContact O-OG1 3.46Å; N518-T520 VanDerWaalsContact C-N 3.28Å; N518-T520 PolarHBondContact O-N 3.19Å; T520-H522 PolarHBondContact O-CD2 2.97Å; T520-H522 PolarHBondContact O-N 3.49Å
521	G	89.3	Confident	93.6	Very high	67 Å²	67	58.1 Å²	58.1	69%	0.691	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	15.3	-173.5	0	0	0	0	0	113.1	E517 N518	E517-G521 PolarHBondContact O-N 3.12Å; N518-G521 PolarHBondContact O-N 3.2Å
522	H	85.4	Confident	93.7	Very high	120 Å²	120	55.2 Å²	55.2	56%	0.556	30%	0.296	S	S	*	.			trans	-105.3	139.6	-178.3	-67.6	-177.8	0	0	0	109.8	T520 L524	T520-H522 PolarHBondContact O-CD2 2.97Å; T520-H522 PolarHBondContact O-N 3.49Å; H522-L524 HydrophobicContact CB-CD2 4.49Å; H522-L524 PolarHBondContact O-N 3.36Å
523	I	85.7	Confident	93.7	Very high	140 Å²	140	62.4 Å²	62.4	72%	0.718	32%	0.322	S	S	*	.			trans	-76.2	116.6	169.8	-56.8	176.2	0	0	0	107.5	T458 V525	T458-I523 PolarHBondContact OG1-O 2.61Å; I523-V525 HydrophobicContact CG2-CG2 3.96Å
524	L	90.8	Very high	93.8	Very high	7 Å²	7	64.5 Å²	64.5	4%	0.037	33%	0.332	C	S	.	.			trans	-93.5	103.7	-175.8	-63.6	172.6	0	0	0	110.6	E459 Y507 F513 Y516 E517 H522	E459-L524 HydrophobicContact CB-CD2 4.35Å; Y507-L524 HydrophobicContact CE2-CB 4.35Å; Y507-L524 WeakPolarHBondContact CE2-O 3.38Å; Y507-L524 PolarHBondContact OH-O 3.16Å; F513-L524 HydrophobicContact CD2-CD1 4.21Å; F513-L524 HydrophobicContact CE2-CB 3.87Å; F513-L524 HydrophobicContact CE2-CD1 3.71Å; F513-L524 HydrophobicContact CE2-CG 4.42Å; F513-L524 HydrophobicContact CZ-CB 4.43Å; Y516-L524 HydrophobicContact CD1-CD1 3.38Å; Y516-L524 HydrophobicContact CE1-CD1 3.65Å; Y516-L524 HydrophobicContact CE1-CD2 4.16Å; E517-L524 HydrophobicContact CB-CD1 4.12Å; H522-L524 HydrophobicContact CB-CD2 4.49Å; H522-L524 PolarHBondContact O-N 3.36Å
525	V	92.1	Very high	93.9	Very high	62 Å²	62	58.2 Å²	58.2	38%	0.376	31%	0.308	S	S	.	.			trans	-118.2	125.8	175.5	-174.3	0	0	0	0	108.3	P315 T458 I523 W527	P315-V525 HydrophobicContact CG-CB 4.4Å; T458-V525 HydrophobicContact CG2-CB 4.46Å; T458-V525 WeakPolarHBondContact CG2-O 3.34Å; T458-V525 PolarHBondContact OG1-N 3.39Å; T458-V525 PolarHBondContact OG1-O 2.7Å; I523-V525 HydrophobicContact CG2-CG2 3.96Å; V525-W527 PolarHBondContact O-N 3.38Å
526	Q	95.3	Very high	94	Very high	66 Å²	66	51.5 Å²	51.5	31%	0.308	28%	0.279	S	S	.	.			trans	-61.1	134.9	169.3	179.4	-179.6	-55.7	0	0	109.9	P460 Y507	P460-Q526 HydrophobicContact CG-CB 4.2Å; P460-Q526 HydrophobicContact CG-CG 4.26Å; P460-Q526 WeakPolarHBondContact O-CA 3.5Å; Y507-Q526 HydrophobicContact CE1-CB 3.83Å; Y507-Q526 PolarHBondContact OH-N 2.82Å
527	W	96.8	Very high	94.1	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	175.1	174.1	72.7	-70	0	0	0	109.3	V309 N313 L314 F450 L451 W457 T458 P460 F461 A462 V525 V529	V309-W527 HydrophobicContact CG1-CH2 4.47Å; V309-W527 HydrophobicContact CG1-CZ3 4.35Å; N313-W527 WeakPolarHBondContact OD1-CA 3.24Å; N313-W527 WeakPolarHBondContact OD1-CB 3.39Å; L314-W527 HydrophobicContact CB-CD2 4.03Å; L314-W527 HydrophobicContact CB-CE3 3.56Å; L314-W527 HydrophobicContact CB-CZ3 3.95Å; L314-W527 HydrophobicContact CD1-CD2 3.68Å; L314-W527 HydrophobicContact CD1-CE3 4.05Å; L314-W527 HydrophobicContact CD1-CG 3.93Å; L314-W527 HydrophobicContact CD1-CZ2 4.28Å; L314-W527 HydrophobicContact CD1-CZ3 4.49Å; L314-W527 HydrophobicContact CD2-CE3 4.37Å; L314-W527 HydrophobicContact CD2-CH2 4.13Å; L314-W527 HydrophobicContact CD2-CZ2 4.46Å; L314-W527 HydrophobicContact CD2-CZ3 4.08Å; L314-W527 HydrophobicContact CG-CD2 4.33Å; L314-W527 HydrophobicContact CG-CE3 4.2Å; L314-W527 HydrophobicContact CG-CZ3 4.4Å; F450-W527 HydrophobicContact CD1-CH2 4.24Å; F450-W527 AromaticContact CE1-CH2 3.71Å; F450-W527 HydrophobicContact CE1-CH2 3.71Å; F450-W527 HydrophobicContact CE1-CZ2 4.24Å; L451-W527 HydrophobicContact CD2-CH2 4.18Å; L451-W527 HydrophobicContact CD2-CZ2 3.73Å; W457-W527 HydrophobicContact CB-CZ2 3.74Å; W457-W527 HydrophobicContact CE3-CZ2 4.47Å; W457-W527 HydrophobicContact CG-CZ2 4.21Å; T458-W527 HydrophobicContact CG2-CG 4.21Å; T458-W527 PolarHBondContact O-NE1 3.15Å; P460-W527 PolarHBondContact O-N 3.09Å; F461-W527 CarbonylContact C-O 3.56Å; F461-W527 WeakPolarHBondContact CA-O 3.25Å; F461-W527 HydrophobicContact CB-CD2 4.48Å; F461-W527 HydrophobicContact CB-CZ2 4.32Å; A462-W527 PolarHBondContact N-O 3.13Å; V525-W527 PolarHBondContact O-N 3.38Å; W527-V529 HydrophobicContact CH2-CG2 3.83Å; W527-V529 HydrophobicContact CZ2-CG2 4.36Å; W527-V529 HydrophobicContact CZ3-CG2 4.09Å
528	S	97.9	Very high	94.3	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.3	-171.4	-51.9	0	0	0	0	109.6	S312 N313 A462 H464 E481 G530	S312-S528 WeakPolarHBondContact CB-O 2.74Å; N313-S528 PolarHBondContact OD1-N 3.35Å; A462-S528 CarbonylContact O-C 3.54Å; A462-S528 WeakPolarHBondContact O-CA 3.19Å; H464-S528 VanDerWaalsContact CD2-CB 3.46Å; H464-S528 WeakPolarHBondContact CD2-CB 3.35Å; E481-S528 WeakPolarHBondContact OE1-CB 3.4Å; E481-S528 PolarHBondContact OE1-OG 3.02Å; S528-G530 PolarHBondContact O-N 3.3Å; S528-G530 VanDerWaalsContact O-O 3.11Å
529	V	98.1	Very high	94.4	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	119.4	167.1	-169.5	0	0	0	0	106.5	M308 V309 L451 F461 A462 I463 H464 W527 A536	M308-V529 HydrophobicContact CG-CG1 4.5Å; V309-V529 HydrophobicContact CG2-CG1 3.91Å; L451-V529 HydrophobicContact CD1-CG2 4.18Å; F461-V529 HydrophobicContact CD2-CG2 4.04Å; A462-V529 PolarHBondContact O-N 3.24Å; I463-V529 HydrophobicContact CG1-CB 4.49Å; H464-V529 PolarHBondContact N-O 3.09Å; W527-V529 HydrophobicContact CH2-CG2 3.83Å; W527-V529 HydrophobicContact CZ2-CG2 4.36Å; W527-V529 HydrophobicContact CZ3-CG2 4.09Å; V529-A536 HydrophobicContact CB-CB 4.05Å; V529-A536 HydrophobicContact CG1-CB 3.64Å; V529-A536 WeakPolarHBondContact O-CB 3.38Å
530	G	97.2	Very high	94.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	23%	0.226	C	C	.	.	S	Bend	trans	89.8	-173.3	-172.9	0	0	0	0	0	114.2	M308 S312 S528 H534	M308-G530 WeakPolarHBondContact O-CA 3.39Å; M308-G530 PolarHBondContact O-N 3.26Å; S312-G530 WeakPolarHBondContact CA-O 3.36Å; S528-G530 PolarHBondContact O-N 3.3Å; S528-G530 VanDerWaalsContact O-O 3.11Å; G530-H534 CarbonylContact C-O 3.49Å; G530-H534 WeakPolarHBondContact CA-O 3.21Å
531	S	96.3	Very high	94.7	Very high	15 Å²	15	40.8 Å²	40.8	11%	0.105	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-152.4	173.7	175.3	61.4	0	0	0	0	109.5	H311 F533 H534	H311-S531 WeakPolarHBondContact O-CB 3.39Å; H311-S531 PolarHBondContact O-OG 3.11Å; S531-F533 PolarHBondContact O-N 3.44Å; S531-H534 PolarHBondContact N-O 2.89Å; S531-H534 CarbonylContact O-C 3.55Å; S531-H534 PolarHBondContact O-N 3.22Å; S531-H534 VanDerWaalsContact O-N 3.08Å; S531-H534 PolarHBondContact OG-N 3.45Å; S531-H534 PolarHBondContact OG-ND1 3.48Å
532	P	94.3	Very high	95	Very high	66 Å²	66	39.3 Å²	39.3	43%	0.429	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-13.6	177.4	-30.2	38	0	0	0	115.9	T479 F535	T479-P532 HydrophobicContact CG2-CB 4.23Å; T479-P532 WeakPolarHBondContact CG2-O 3.3Å; P532-F535 VanDerWaalsContact O-CE1 3.3Å; P532-F535 WeakPolarHBondContact O-CE1 3.26Å
533	F	92	Very high	95.5	Very high	172 Å²	172	33.7 Å²	33.7	75%	0.754	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-14.5	178.6	-54.9	-74.5	0	0	0	113.7	S531	S531-F533 PolarHBondContact O-N 3.44Å
534	H	95.8	Very high	96	Very high	53 Å²	53	27.7 Å²	27.7	25%	0.245	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-127.2	82	178.9	-59.6	89.8	0	0	0	108.6	M308 H311 G530 S531	M308-H534 HydrophobicContact CB-CB 4.44Å; H311-H534 HydrophobicContact CB-CB 4.4Å; H311-H534 WeakPolarHBondContact CB-ND1 3.47Å; H311-H534 AromaticContact CD2-CD2 3.86Å; H311-H534 AromaticContact CD2-CE1 3.59Å; H311-H534 AromaticContact CD2-NE2 3.46Å; H311-H534 PolarHBondContact CD2-NE2 3.32Å; H311-H534 AromaticContact CG-CE1 3.48Å; H311-H534 VanDerWaalsContact CG-CE1 3.48Å; H311-H534 AromaticContact CG-ND1 3.72Å; H311-H534 AromaticContact CG-NE2 3.86Å; H311-H534 AromaticContact ND1-CE1 3.99Å; H311-H534 AromaticContact NE2-NE2 3.95Å; G530-H534 CarbonylContact C-O 3.49Å; G530-H534 WeakPolarHBondContact CA-O 3.21Å; S531-H534 PolarHBondContact N-O 2.89Å; S531-H534 CarbonylContact O-C 3.55Å; S531-H534 PolarHBondContact O-N 3.22Å; S531-H534 VanDerWaalsContact O-N 3.08Å; S531-H534 PolarHBondContact OG-N 3.45Å; S531-H534 PolarHBondContact OG-ND1 3.48Å
535	F	97.1	Very high	96.2	Very high	23 Å²	23	28.6 Å²	28.6	10%	0.101	15%	0.145	C	C	.	.			trans	-61	145.9	-177.8	-45.2	-48.3	0	0	0	111.2	R466 T479 P532 M602	R466-F535 HydrophobicContact CB-CB 4.37Å; R466-F535 HydrophobicContact CB-CD1 4.45Å; R466-F535 HydrophobicContact CB-CD2 3.56Å; R466-F535 HydrophobicContact CB-CE2 3.87Å; R466-F535 HydrophobicContact CB-CG 3.86Å; R466-F535 HydrophobicContact CB-CZ 4.46Å; R466-F535 HydrophobicContact CG-CD2 4Å; R466-F535 HydrophobicContact CG-CE2 3.81Å; R466-F535 HydrophobicContact CG-CZ 4.4Å; T479-F535 HydrophobicContact CG2-CD1 3.73Å; T479-F535 HydrophobicContact CG2-CE1 3.25Å; T479-F535 HydrophobicContact CG2-CZ 4.32Å; P532-F535 VanDerWaalsContact O-CE1 3.3Å; P532-F535 WeakPolarHBondContact O-CE1 3.26Å; F535-M602 HydrophobicContact CB-CE 4.36Å; F535-M602 HydrophobicContact CD2-CB 4.21Å
536	A	97.7	Very high	96.5	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.017	13%	0.127	C	C	.	.	S	Bend	trans	-118.4	25.8	175.3	0	0	0	0	0	111.5	M308 A444 I463 H464 V529	M308-A536 HydrophobicContact CB-CB 4.29Å; M308-A536 HydrophobicContact CG-CB 4.24Å; M308-A536 HydrophobicContact SD-CB 3.81Å; A444-A536 WeakPolarHBondContact CB-O 3.4Å; A444-A536 PolarHBondContact N-O 2.95Å; I463-A536 HydrophobicContact CG2-CB 3.92Å; I463-A536 VanDerWaalsContact CG2-O 3.25Å; I463-A536 WeakPolarHBondContact CG2-O 3.43Å; H464-A536 PolarHBondContact O-N 2Å; V529-A536 HydrophobicContact CB-CB 4.05Å; V529-A536 HydrophobicContact CG1-CB 3.64Å; V529-A536 WeakPolarHBondContact O-CB 3.38Å
537	G	97.8	Very high	96.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.1	-173.6	176.2	0	0	0	0	0	112.9	I442 M465 R466	I442-G537 CarbonylContact O-C 3.49Å; I442-G537 WeakPolarHBondContact O-CA 3.47Å; M465-G537 WeakPolarHBondContact CA-O 3.37Å; R466-G537 PolarHBondContact N-O 2.86Å
538	W	98.3	Very high	96.4	Very high	13 Å²	13	25.4 Å²	25.4	5%	0.049	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.4	-178	-57.7	-93.8	0	0	0	110.8	E441 I442 A444 F472 M602 P605	E441-W538 CarbonylContact C-O 3.54Å; E441-W538 WeakPolarHBondContact CA-O 3.48Å; I442-W538 HydrophobicContact CB-CE3 4.4Å; I442-W538 HydrophobicContact CG2-CE3 4.3Å; I442-W538 PolarHBondContact N-O 2.75Å; I442-W538 PolarHBondContact O-N 3.46Å; A444-W538 HydrophobicContact CB-CZ3 4.42Å; F472-W538 HydrophobicContact CE1-CB 4.04Å; F472-W538 HydrophobicContact CE1-CG 4.23Å; W538-M602 HydrophobicContact CD2-CE 4.16Å; W538-M602 HydrophobicContact CE3-CE 4.37Å; W538-M602 HydrophobicContact CH2-CE 3.62Å; W538-M602 HydrophobicContact CH2-SD 3.9Å; W538-M602 HydrophobicContact CZ2-CB 4.44Å; W538-M602 HydrophobicContact CZ2-CE 3.34Å; W538-M602 HydrophobicContact CZ2-SD 3.43Å; W538-M602 WeakPolarHBondContact CZ2-SD 3.01Å; W538-M602 HydrophobicContact CZ3-CE 4.13Å; W538-M602 PolarHBondContact NE1-O 2.91Å; W538-P605 HydrophobicContact CD2-CG 3.91Å; W538-P605 HydrophobicContact CE3-CG 4.01Å; W538-P605 HydrophobicContact CG-CG 4.19Å
539	H	97.9	Very high	96.3	Very high	29 Å²	29	25.4 Å²	25.4	13%	0.134	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.3	166.4	173.8	-103.2	0	0	0	108.7	D440 M465 R466 K467 S468 L480 S541	D440-H539 VanDerWaalsContact O-CA 3.28Å; D440-H539 WeakPolarHBondContact O-CA 3.38Å; M465-H539 HydrophobicContact CB-CB 4.18Å; M465-H539 HydrophobicContact SD-CB 4.43Å; R466-H539 PolarHBondContact O-N 3.23Å; K467-H539 CarbonylContact C-O 3.57Å; K467-H539 WeakPolarHBondContact CA-O 3.04Å; S468-H539 PolarHBondContact N-O 3.04Å; S468-H539 PolarHBondContact OG-O 3.04Å; L480-H539 HydrophobicContact CB-CB 4.44Å; L480-H539 HydrophobicContact CD2-CB 3.76Å; L480-H539 VanDerWaalsContact CD2-CG 3.44Å; H539-S541 PolarHBondContact CE1-OG 3.37Å
540	C	97.1	Very high	96.2	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.02	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	91.5	-173.7	-149.5	0	0	0	0	111.3	D440 F472 W542 C543	D440-C540 WeakPolarHBondContact CB-O 3.39Å; D440-C540 PolarHBondContact O-N 3.47Å; F472-C540 HydrophobicContact CE1-CB 4.21Å; F472-C540 HydrophobicContact CZ-CB 4.18Å; C540-W542 PolarHBondContact O-N 3.43Å; C540-C543 WeakPolarHBondContact CA-SG 3.49Å; C540-C543 HydrophobicContact CB-CB 3.71Å; C540-C543 WeakPolarHBondContact CB-SG 3.47Å; C540-C543 PolarHBondContact O-SG 2.88Å; C540-C543 WeakPolarHBondContact SG-CB 3.43Å; C540-C543 CovalentContact SG-SG 2Å; C540-C543 PolarHBondContact SG-SG 2.81Å
541	S	95.4	Very high	96	Very high	14 Å²	14	34.4 Å²	34.4	10%	0.098	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.8	179.9	-49	0	0	0	0	110.1	S468 L469 Y470 Q476 H539 C543	S468-S541 WeakPolarHBondContact O-CB 3.41Å; S468-S541 PolarHBondContact O-N 3.41Å; S468-S541 PolarHBondContact O-OG 2.78Å; L469-S541 CarbonylContact C-O 3.45Å; L469-S541 WeakPolarHBondContact CA-O 3.37Å; Y470-S541 PolarHBondContact N-O 3.41Å; Q476-S541 PolarHBondContact OE1-OG 3.36Å; H539-S541 PolarHBondContact CE1-OG 3.37Å; S541-C543 PolarHBondContact O-N 3.39Å; S541-C543 VanDerWaalsContact O-N 3.09Å; S541-C543 PolarHBondContact O-SG 2.76Å; S541-C543 VanDerWaalsContact O-SG 3.42Å
542	W	95.7	Very high	95.9	Very high	36 Å²	36	35.6 Å²	35.6	14%	0.136	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	27	174	-57.4	101.3	0	0	0	115.2	L469 Y470 C540 F544 I549 K552 L553 W585 F586	L469-W542 HydrophobicContact CD1-CB 4.34Å; Y470-W542 WeakPolarHBondContact CA-O 3.5Å; Y470-W542 HydrophobicContact CD1-CB 3.53Å; Y470-W542 HydrophobicContact CD1-CG 4.49Å; Y470-W542 HydrophobicContact CE1-CB 3.6Å; Y470-W542 HydrophobicContact CE1-CG 4.1Å; C540-W542 PolarHBondContact O-N 3.43Å; W542-F544 VanDerWaalsContact C-N 3.26Å; W542-F544 PolarHBondContact O-N 2.93Å; W542-I549 HydrophobicContact CB-CD1 4.29Å; W542-I549 HydrophobicContact CB-CG1 4.45Å; W542-I549 HydrophobicContact CE3-CB 4.38Å; W542-I549 HydrophobicContact CE3-CG1 4.33Å; W542-I549 HydrophobicContact CE3-CG2 3.8Å; W542-I549 HydrophobicContact CZ3-CG2 4.05Å; W542-K552 HydrophobicContact CE3-CB 4.31Å; W542-K552 HydrophobicContact CE3-CD 3.98Å; W542-K552 HydrophobicContact CE3-CG 4.16Å; W542-K552 HydrophobicContact CH2-CG 4.19Å; W542-K552 HydrophobicContact CZ3-CB 3.78Å; W542-K552 HydrophobicContact CZ3-CD 3.98Å; W542-K552 HydrophobicContact CZ3-CG 3.64Å; W542-L553 HydrophobicContact CH2-CD2 3.56Å; W542-L553 HydrophobicContact CH2-CG 3.96Å; W542-L553 HydrophobicContact CZ2-CD2 4.45Å; W542-L553 HydrophobicContact CZ3-CD2 3.96Å; W542-L553 HydrophobicContact CZ3-CG 3.84Å; W542-W585 AromaticContact CD1-CH2 3.79Å; W542-W585 AromaticContact CD1-CZ3 3.77Å; W542-W585 AromaticContact NE1-CH2 3.4Å; W542-W585 AromaticContact NE1-CZ2 3.98Å; W542-W585 AromaticContact NE1-CZ3 3.8Å; W542-F586 AromaticContact CD2-CE2 3.73Å; W542-F586 HydrophobicContact CD2-CE2 3.73Å; W542-F586 HydrophobicContact CD2-CZ 4.21Å; W542-F586 AromaticContact CE2-CE2 3.48Å; W542-F586 VanDerWaalsContact CE2-CE2 3.48Å; W542-F586 HydrophobicContact CE3-CE2 4.13Å; W542-F586 HydrophobicContact CE3-CZ 4.18Å; W542-F586 HydrophobicContact CG-CE2 4.22Å; W542-F586 HydrophobicContact CH2-CE2 4.09Å; W542-F586 HydrophobicContact CH2-CZ 4.38Å; W542-F586 HydrophobicContact CZ2-CD2 4.19Å; W542-F586 AromaticContact CZ2-CE2 3.69Å; W542-F586 HydrophobicContact CZ2-CE2 3.69Å; W542-F586 HydrophobicContact CZ2-CZ 4.41Å; W542-F586 HydrophobicContact CZ3-CE2 4.28Å; W542-F586 HydrophobicContact CZ3-CZ 4.25Å; W542-F586 AromaticContact NE1-CE2 3.79Å
543	C	96.4	Very high	95.8	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.014	15%	0.147	C	C	.	.			trans	-77.2	74	-177	-66.2	0	0	0	0	112.7	G471 C540 S541 L618	G471-C543 PolarHBondContact N-SG 3.02Å; C540-C543 WeakPolarHBondContact CA-SG 3.49Å; C540-C543 HydrophobicContact CB-CB 3.71Å; C540-C543 WeakPolarHBondContact CB-SG 3.47Å; C540-C543 PolarHBondContact O-SG 2.88Å; C540-C543 WeakPolarHBondContact SG-CB 3.43Å; C540-C543 CovalentContact SG-SG 2Å; C540-C543 PolarHBondContact SG-SG 2.81Å; S541-C543 PolarHBondContact O-N 3.39Å; S541-C543 VanDerWaalsContact O-N 3.09Å; S541-C543 PolarHBondContact O-SG 2.76Å; S541-C543 VanDerWaalsContact O-SG 3.42Å; C543-L618 HydrophobicContact CB-CD2 3.88Å
544	F	96.1	Very high	95.7	Very high	13 Å²	13	27.4 Å²	27.4	6%	0.057	13%	0.129	C	C	.	.	S	Bend	trans	-141.1	168.2	-178	-61.7	-88.1	0	0	0	110.7	H337 E338 W542 I549 K552	H337-F544 AromaticContact CD2-CD1 3.86Å; H337-F544 AromaticContact CD2-CE1 3.39Å; H337-F544 WeakPolarHBondContact CD2-CE1 3.31Å; H337-F544 AromaticContact NE2-CD1 3.81Å; H337-F544 AromaticContact NE2-CE1 3.36Å; H337-F544 WeakPolarHBondContact NE2-CE1 3.41Å; H337-F544 AromaticContact NE2-CZ 3.62Å; E338-F544 HydrophobicContact CB-CE1 4.48Å; E338-F544 HydrophobicContact CB-CZ 4.42Å; E338-F544 HydrophobicContact CG-CE1 4.13Å; E338-F544 HydrophobicContact CG-CZ 3.61Å; W542-F544 VanDerWaalsContact C-N 3.26Å; W542-F544 PolarHBondContact O-N 2.93Å; F544-I549 HydrophobicContact CB-CG1 4Å; F544-K552 HydrophobicContact CD2-CD 4.26Å; F544-K552 HydrophobicContact CE2-CD 3.45Å; F544-K552 VanDerWaalsContact CE2-CD 3.45Å; F544-K552 HydrophobicContact CZ-CD 4.03Å
545	T	95.9	Very high	95.4	Very high	26 Å²	26	25.3 Å²	25.3	16%	0.16	12%	0.12	C	C	.	.			trans	-63.7	164.6	160.3	67.9	0	0	0	0	110.5	W161 E547 G548 I549 Y617	W161-T545 HydrophobicContact CZ2-CG2 4.33Å; T545-E547 WeakPolarHBondContact CB-OE2 3.3Å; T545-E547 PolarHBondContact O-N 3.21Å; T545-E547 PolarHBondContact OG1-OE2 3.28Å; T545-G548 PolarHBondContact O-N 3.5Å; T545-G548 PolarHBondContact OG1-N 3.03Å; T545-I549 PolarHBondContact O-N 2.99Å; T545-Y617 HydrophobicContact CG2-CD2 4.2Å; T545-Y617 HydrophobicContact CG2-CE2 4.16Å
546	P	96.7	Very high	95	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.013	12%	0.123	C	C	.	.	H	α-helix	trans	-52.5	-38.6	176.1	-26.7	34.6	0	0	0	113.5	I549 Y550 L573 I576 R577 I580 Y623	P546-I549 PolarHBondContact O-N 2.91Å; P546-Y550 PolarHBondContact O-N 2.94Å; P546-L573 HydrophobicContact CB-CD2 4.19Å; P546-I576 HydrophobicContact CB-CB 4.46Å; P546-I576 HydrophobicContact CB-CG2 3.89Å; P546-R577 HydrophobicContact CB-CG 4.2Å; P546-R577 HydrophobicContact CG-CG 3.64Å; P546-I580 HydrophobicContact CG-CD1 3.99Å; P546-Y623 WeakPolarHBondContact CD-OH 2.96Å; P546-Y623 HydrophobicContact CG-CE2 4.29Å; P546-Y623 WeakPolarHBondContact CG-OH 3.08Å
547	E	95.8	Very high	94.5	Very high	61 Å²	61	25.5 Å²	25.5	29%	0.285	12%	0.124	S	C	.	.	H	α-helix	trans	-67	-40.3	178.2	-59.7	71.1	-151.7	0	0	111.3	T545 Y550 F551 R577	T545-E547 WeakPolarHBondContact CB-OE2 3.3Å; T545-E547 PolarHBondContact O-N 3.21Å; T545-E547 PolarHBondContact OG1-OE2 3.28Å; E547-Y550 WeakPolarHBondContact O-CB 3.35Å; E547-Y550 PolarHBondContact O-N 2.87Å; E547-F551 HydrophobicContact CB-CE2 4.41Å; E547-F551 WeakPolarHBondContact O-CD2 3.35Å; E547-F551 WeakPolarHBondContact O-CG 3.26Å; E547-F551 PolarHBondContact O-N 3.12Å; E547-R577 IonicContact OE1-NH2 4Å
548	G	95.2	Very high	93.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65	-39.9	173.8	0	0	0	0	0	112.6	H337 T545 Y550 F551 K552	H337-G548 PolarHBondContact NE2-O 2.97Å; H337-G548 VanDerWaalsContact NE2-O 3.12Å; T545-G548 PolarHBondContact O-N 3.5Å; T545-G548 PolarHBondContact OG1-N 3.03Å; G548-Y550 VanDerWaalsContact C-N 3.35Å; G548-Y550 PolarHBondContact O-N 3.11Å; G548-F551 PolarHBondContact O-N 3.44Å; G548-K552 PolarHBondContact O-N 3.27Å
549	I	96.4	Very high	92.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-45.4	172.8	-65.9	-178.1	0	0	0	110.7	Y470 W542 F544 T545 P546 F551 K552 L553 I576 I580 F586	Y470-I549 HydrophobicContact CD1-CD1 3.6Å; Y470-I549 HydrophobicContact CE1-CD1 3.88Å; W542-I549 HydrophobicContact CB-CD1 4.29Å; W542-I549 HydrophobicContact CB-CG1 4.45Å; W542-I549 HydrophobicContact CE3-CB 4.38Å; W542-I549 HydrophobicContact CE3-CG1 4.33Å; W542-I549 HydrophobicContact CE3-CG2 3.8Å; W542-I549 HydrophobicContact CZ3-CG2 4.05Å; F544-I549 HydrophobicContact CB-CG1 4Å; T545-I549 PolarHBondContact O-N 2.99Å; P546-I549 PolarHBondContact O-N 2.91Å; I549-F551 VanDerWaalsContact C-N 3.34Å; I549-F551 PolarHBondContact O-N 3.35Å; I549-K552 PolarHBondContact O-N 3.17Å; I549-L553 HydrophobicContact CG2-CD1 4.03Å; I549-L553 HydrophobicContact CG2-CG 4.39Å; I549-L553 WeakPolarHBondContact O-CG 3.38Å; I549-L553 PolarHBondContact O-N 3.18Å; I549-I576 HydrophobicContact CB-CD1 4.5Å; I549-I576 HydrophobicContact CB-CG2 3.87Å; I549-I576 HydrophobicContact CD1-CG2 3.78Å; I549-I576 HydrophobicContact CG1-CG2 4.36Å; I549-I576 HydrophobicContact CG2-CD1 4.05Å; I549-I576 HydrophobicContact CG2-CG1 4.18Å; I549-I576 HydrophobicContact CG2-CG2 3.8Å; I549-I580 HydrophobicContact CD1-CD1 3.91Å; I549-I580 HydrophobicContact CD1-CG1 4.01Å; I549-F586 HydrophobicContact CG2-CE1 4.28Å; I549-F586 HydrophobicContact CG2-CZ 3.7Å
550	Y	95.1	Very high	91.6	Very high	84 Å²	84	29 Å²	29	33%	0.329	15%	0.148	S	C	.	.	H	α-helix	trans	-54.6	-48.7	173.9	169.5	-86.9	0	0	0	111.6	P546 E547 G548 K552 L553 V554 R571	P546-Y550 PolarHBondContact O-N 2.94Å; E547-Y550 WeakPolarHBondContact O-CB 3.35Å; E547-Y550 PolarHBondContact O-N 2.87Å; G548-Y550 VanDerWaalsContact C-N 3.35Å; G548-Y550 PolarHBondContact O-N 3.11Å; Y550-K552 VanDerWaalsContact C-N 3.35Å; Y550-K552 PolarHBondContact O-N 3.08Å; Y550-L553 WeakPolarHBondContact O-CB 2.98Å; Y550-L553 PolarHBondContact O-N 3.43Å; Y550-V554 HydrophobicContact CD1-CG2 4.41Å; Y550-V554 HydrophobicContact CE1-CG2 3.98Å; Y550-V554 HydrophobicContact CE2-CG2 4.21Å; Y550-V554 WeakPolarHBondContact O-CG2 3.49Å; Y550-V554 PolarHBondContact O-N 3.45Å; Y550-R571 HydrophobicContact CD2-CB 3.83Å; Y550-R571 HydrophobicContact CD2-CG 4.3Å; Y550-R571 WeakPolarHBondContact CD2-O 3.32Å; Y550-R571 HydrophobicContact CE2-CB 3.8Å; Y550-R571 HydrophobicContact CE2-CG 4.22Å
551	F	93.3	Very high	90.9	Very high	108 Å²	108	37 Å²	37	47%	0.474	18%	0.183	S	C	.	.	H	α-helix	trans	-63.5	-39.7	178.6	-70.7	-56	0	0	0	112.5	E547 G548 I549 V554 S555	E547-F551 HydrophobicContact CB-CE2 4.41Å; E547-F551 WeakPolarHBondContact O-CD2 3.35Å; E547-F551 WeakPolarHBondContact O-CG 3.26Å; E547-F551 PolarHBondContact O-N 3.12Å; G548-F551 PolarHBondContact O-N 3.44Å; I549-F551 VanDerWaalsContact C-N 3.34Å; I549-F551 PolarHBondContact O-N 3.35Å; F551-V554 PolarHBondContact O-N 2.99Å; F551-S555 WeakPolarHBondContact O-CB 3.28Å; F551-S555 PolarHBondContact O-N 3.17Å
552	K	93.3	Very high	90.5	Very high	41 Å²	41	39 Å²	39	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-42.6	175	-172.4	159.8	178.9	161.5	0	111.8	D440 W542 F544 G548 I549 Y550 S555 A556	D440-K552 IonicContact OD2-NZ 3.35Å; D440-K552 PolarHBondContact OD2-NZ 2.84Å; W542-K552 HydrophobicContact CE3-CB 4.31Å; W542-K552 HydrophobicContact CE3-CD 3.98Å; W542-K552 HydrophobicContact CE3-CG 4.16Å; W542-K552 HydrophobicContact CH2-CG 4.19Å; W542-K552 HydrophobicContact CZ3-CB 3.78Å; W542-K552 HydrophobicContact CZ3-CD 3.98Å; W542-K552 HydrophobicContact CZ3-CG 3.64Å; F544-K552 HydrophobicContact CD2-CD 4.26Å; F544-K552 HydrophobicContact CE2-CD 3.45Å; F544-K552 VanDerWaalsContact CE2-CD 3.45Å; F544-K552 HydrophobicContact CZ-CD 4.03Å; G548-K552 PolarHBondContact O-N 3.27Å; I549-K552 PolarHBondContact O-N 3.17Å; Y550-K552 VanDerWaalsContact C-N 3.35Å; Y550-K552 PolarHBondContact O-N 3.08Å; K552-S555 PolarHBondContact O-N 3.25Å; K552-A556 PolarHBondContact O-N 3.42Å; K552-A556 VanDerWaalsContact O-N 3.14Å
553	L	93.4	Very high	90.1	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-49.4	176.1	-74.7	167.5	0	0	0	112	W542 I549 Y550 S555 A556 W564 K570 I576 F586	W542-L553 HydrophobicContact CH2-CD2 3.56Å; W542-L553 HydrophobicContact CH2-CG 3.96Å; W542-L553 HydrophobicContact CZ2-CD2 4.45Å; W542-L553 HydrophobicContact CZ3-CD2 3.96Å; W542-L553 HydrophobicContact CZ3-CG 3.84Å; I549-L553 HydrophobicContact CG2-CD1 4.03Å; I549-L553 HydrophobicContact CG2-CG 4.39Å; I549-L553 WeakPolarHBondContact O-CG 3.38Å; I549-L553 PolarHBondContact O-N 3.18Å; Y550-L553 WeakPolarHBondContact O-CB 2.98Å; Y550-L553 PolarHBondContact O-N 3.43Å; L553-S555 PolarHBondContact O-N 2.89Å; L553-A556 WeakPolarHBondContact O-CB 3.48Å; L553-A556 PolarHBondContact O-N 3.23Å; L553-W564 HydrophobicContact CD2-CB 3.56Å; L553-K570 WeakPolarHBondContact CD1-O 3.46Å; L553-I576 HydrophobicContact CD1-CD1 4.19Å; L553-F586 HydrophobicContact CD1-CE1 3.76Å; L553-F586 HydrophobicContact CD1-CZ 4.23Å; L553-F586 HydrophobicContact CD2-CD1 4.29Å; L553-F586 HydrophobicContact CD2-CE1 4.02Å; L553-F586 HydrophobicContact CD2-CZ 4.19Å; L553-F586 HydrophobicContact CG-CE1 4.36Å; L553-F586 HydrophobicContact CG-CZ 4.48Å
554	V	90.3	Very high	89.8	Confident	62 Å²	62	40.8 Å²	40.8	38%	0.376	20%	0.202	S	C	.	.	H	α-helix	trans	-64.8	-31.9	179.2	174.8	0	0	0	0	111.5	Y550 F551 R563	Y550-V554 HydrophobicContact CD1-CG2 4.41Å; Y550-V554 HydrophobicContact CE1-CG2 3.98Å; Y550-V554 HydrophobicContact CE2-CG2 4.21Å; Y550-V554 WeakPolarHBondContact O-CG2 3.49Å; Y550-V554 PolarHBondContact O-N 3.45Å; F551-V554 PolarHBondContact O-N 2.99Å; V554-R563 PolarHBondContact O-NH2 3.2Å
555	S	89.5	Confident	89.5	Confident	9 Å²	9	40.2 Å²	40.2	6%	0.063	20%	0.2	C	C	.	.	H	α-helix	trans	-81.9	-8	179.8	-176.6	0	0	0	0	114.3	N336 A365 F551 K552 L553	N336-S555 PolarHBondContact ND2-OG 2.96Å; A365-S555 WeakPolarHBondContact CB-O 3.47Å; A365-S555 PolarHBondContact N-O 2.94Å; F551-S555 WeakPolarHBondContact O-CB 3.28Å; F551-S555 PolarHBondContact O-N 3.17Å; K552-S555 PolarHBondContact O-N 3.25Å; L553-S555 PolarHBondContact O-N 2.89Å
556	A	88.4	Confident	89.2	Confident	19 Å²	19	43.2 Å²	43.2	16%	0.157	22%	0.215	C	C	.	.			trans	-57.4	147.9	-174.8	0	0	0	0	0	112.3	K552 L553 R563	K552-A556 PolarHBondContact O-N 3.42Å; K552-A556 VanDerWaalsContact O-N 3.14Å; L553-A556 WeakPolarHBondContact O-CB 3.48Å; L553-A556 PolarHBondContact O-N 3.23Å; A556-R563 HydrophobicContact CB-CG 4.19Å; A556-R563 PolarHBondContact O-NE 3.31Å; A556-R563 PolarHBondContact O-NH2 3.17Å
557	Q	87.2	Confident	89	Confident	11 Å²	11	48.4 Å²	48.4	5%	0.051	24%	0.235	C	C	.	.			trans	-73.7	161.8	-175.6	60.6	170.8	-1	0	0	113.5	A365 G406 D410 G559 D560	A365-Q557 HydrophobicContact CB-CB 3.98Å; G406-Q557 PolarHBondContact O-OE1 3.47Å; D410-Q557 VanDerWaalsContact CB-OE1 3.28Å; Q557-G559 VanDerWaalsContact C-N 3.27Å; Q557-G559 PolarHBondContact O-N 2.97Å; Q557-D560 HydrophobicContact CG-CB 4.38Å; Q557-D560 PolarHBondContact NE2-OD1 3.35Å
558	N	77.4	Confident	88.8	Confident	32 Å²	32	53 Å²	53	17%	0.171	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	73.2	169.5	-90.3	-24.6	0	0	0	111.6	Y366 R403 G406	Y366-N558 WeakPolarHBondContact CD2-OD1 3.34Å; Y366-N558 WeakPolarHBondContact CE2-ND2 3.25Å; Y366-N558 WeakPolarHBondContact CE2-OD1 3.41Å; R403-N558 PolarHBondContact O-ND2 2.89Å; G406-N558 VanDerWaalsContact CA-O 3.25Å; G406-N558 WeakPolarHBondContact CA-O 3.34Å; G406-N558 PolarHBondContact N-O 3.08Å
559	G	76.1	Confident	88.6	Confident	13 Å²	13	57.1 Å²	57.1	13%	0.134	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	175.8	-19.9	-176	0	0	0	0	0	113	Q557 F561	Q557-G559 VanDerWaalsContact C-N 3.27Å; Q557-G559 PolarHBondContact O-N 2.97Å; G559-F561 VanDerWaalsContact C-N 3.3Å; G559-F561 WeakPolarHBondContact O-CD2 3.35Å; G559-F561 PolarHBondContact O-N 3.01Å
560	D	79.7	Confident	88.5	Confident	71 Å²	71	58.3 Å²	58.3	38%	0.38	28%	0.284	S	S	.	.	S	Bend	trans	-76.8	78.2	171	-71.5	-11.2	0	0	0	109.7	Q557 P562 R563	Q557-D560 HydrophobicContact CG-CB 4.38Å; Q557-D560 PolarHBondContact NE2-OD1 3.35Å; D560-P562 CarbonylContact O-C 3.38Å; D560-P562 VanDerWaalsContact O-O 3.11Å; D560-R563 WeakPolarHBondContact O-CA 3.38Å; D560-R563 WeakPolarHBondContact O-CB 3.47Å; D560-R563 PolarHBondContact O-N 3.34Å
561	F	81.8	Confident	88.4	Confident	169 Å²	169	57.7 Å²	57.7	74%	0.741	28%	0.281	S	S	*	.	S	Bend	trans	-92.1	131.6	178.6	-68.3	-75.6	0	0	0	112.4	G559	G559-F561 VanDerWaalsContact C-N 3.3Å; G559-F561 WeakPolarHBondContact O-CD2 3.35Å; G559-F561 PolarHBondContact O-N 3.01Å
562	P	87.3	Confident	88.5	Confident	58 Å²	58	56 Å²	56	38%	0.377	28%	0.276	S	S	.	.	S	Bend	cis	-71.7	140	-7.7	32.3	-35.2	0	0	0	111	D560 W564 Y567	D560-P562 CarbonylContact O-C 3.38Å; D560-P562 VanDerWaalsContact O-O 3.11Å; P562-W564 HydrophobicContact CG-CD2 4.26Å; P562-W564 HydrophobicContact CG-CE3 4.46Å; P562-W564 HydrophobicContact CG-CH2 3.6Å; P562-W564 HydrophobicContact CG-CZ2 3.36Å; P562-W564 HydrophobicContact CG-CZ3 4.17Å; P562-W564 PolarHBondContact O-N 2.8Å; P562-Y567 HydrophobicContact CB-CE2 4.2Å
563	R	88.1	Confident	88.7	Confident	21 Å²	21	56.6 Å²	56.6	8%	0.079	28%	0.282	C	S	.	.			trans	-81.4	94	179	-174.9	174.9	-179.4	-128	4.5	108.3	Y366 V554 A556 D560 G565 D566	Y366-R563 VanDerWaalsContact CD2-NH1 3.26Å; V554-R563 PolarHBondContact O-NH2 3.2Å; A556-R563 HydrophobicContact CB-CG 4.19Å; A556-R563 PolarHBondContact O-NE 3.31Å; A556-R563 PolarHBondContact O-NH2 3.17Å; D560-R563 WeakPolarHBondContact O-CA 3.38Å; D560-R563 WeakPolarHBondContact O-CB 3.47Å; D560-R563 PolarHBondContact O-N 3.34Å; R563-G565 PolarHBondContact O-N 2.84Å; R563-D566 IonicContact CZ-OD1 3.9Å; R563-D566 IonicContact NE-OD1 2.83Å; R563-D566 IonicContact NH1-OD1 2.64Å; R563-D566 PolarHBondContact NH1-OD1 3.42Å; R563-D566 WeakPolarHBondContact O-CB 3.43Å; R563-D566 PolarHBondContact O-N 3.09Å
564	W	90	Very high	88.8	Confident	53 Å²	53	61.4 Å²	61.4	20%	0.201	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-54.2	-30.9	-173.8	-64.1	114.7	0	0	0	113.8	L553 P562 D566 Y567 K570 F586 D587	L553-W564 HydrophobicContact CD2-CB 3.56Å; P562-W564 HydrophobicContact CG-CD2 4.26Å; P562-W564 HydrophobicContact CG-CE3 4.46Å; P562-W564 HydrophobicContact CG-CH2 3.6Å; P562-W564 HydrophobicContact CG-CZ2 3.36Å; P562-W564 HydrophobicContact CG-CZ3 4.17Å; P562-W564 PolarHBondContact O-N 2.8Å; W564-D566 PolarHBondContact O-N 3.49Å; W564-Y567 HydrophobicContact CE3-CD2 4.25Å; W564-Y567 HydrophobicContact CE3-CE2 4.33Å; W564-Y567 PolarHBondContact O-N 2.72Å; W564-K570 HydrophobicContact CE3-CD 4.3Å; W564-K570 HydrophobicContact CE3-CG 4.13Å; W564-K570 VanDerWaalsContact O-CB 3.31Å; W564-K570 WeakPolarHBondContact O-CB 3.45Å; W564-F586 HydrophobicContact CB-CB 4.14Å; W564-F586 HydrophobicContact CB-CD1 4.4Å; W564-F586 HydrophobicContact CB-CG 4.28Å; W564-F586 HydrophobicContact CD2-CB 3.4Å; W564-F586 HydrophobicContact CD2-CG 4.42Å; W564-F586 HydrophobicContact CE3-CB 3.96Å; W564-F586 HydrophobicContact CG-CB 3.46Å; W564-F586 VanDerWaalsContact CG-CB 3.46Å; W564-F586 HydrophobicContact CG-CG 4.01Å; W564-F586 HydrophobicContact CZ2-CB 4.34Å; W564-F586 WeakPolarHBondContact CZ3-O 3.5Å; W564-D587 HydrophobicContact CH2-CB 3.61Å; W564-D587 HydrophobicContact CZ2-CB 3.55Å
565	G	87.8	Confident	89	Confident	1 Å²	1	61 Å²	61	1%	0.01	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-66.7	-12.9	176.2	0	0	0	0	0	115.7	R563 Y567 R571	R563-G565 PolarHBondContact O-N 2.84Å; G565-Y567 VanDerWaalsContact C-N 3.32Å; G565-R571 VanDerWaalsContact O-CD 3.25Å; G565-R571 WeakPolarHBondContact O-CD 3.31Å; G565-R571 PolarHBondContact O-NH1 2.65Å
566	D	90	Very high	89.3	Confident	89 Å²	89	60.6 Å²	60.6	48%	0.476	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-80.2	-17.4	176.8	-66	-14.9	0	0	0	112.2	R563 W564	R563-D566 IonicContact CZ-OD1 3.9Å; R563-D566 IonicContact NE-OD1 2.83Å; R563-D566 IonicContact NH1-OD1 2.64Å; R563-D566 PolarHBondContact NH1-OD1 3.42Å; R563-D566 WeakPolarHBondContact O-CB 3.43Å; R563-D566 PolarHBondContact O-N 3.09Å; W564-D566 PolarHBondContact O-N 3.49Å
567	Y	92.1	Very high	89.7	Confident	112 Å²	112	63.1 Å²	63.1	44%	0.439	30%	0.302	S	S	.	.	S	Bend	trans	-91.7	125.4	179.8	-59.4	-91	0	0	0	110.6	P562 W564 G565 D569 K570 R571	P562-Y567 HydrophobicContact CB-CE2 4.2Å; W564-Y567 HydrophobicContact CE3-CD2 4.25Å; W564-Y567 HydrophobicContact CE3-CE2 4.33Å; W564-Y567 PolarHBondContact O-N 2.72Å; G565-Y567 VanDerWaalsContact C-N 3.32Å; Y567-D569 WeakPolarHBondContact CB-OD1 3.48Å; Y567-D569 PolarHBondContact O-N 2.75Å; Y567-K570 HydrophobicContact CG-CG 4.25Å; Y567-K570 PolarHBondContact O-N 3.42Å; Y567-R571 PolarHBondContact O-N 3.36Å
568	E	92.1	Very high	90	Very high	156 Å²	156	66.5 Å²	66.5	73%	0.729	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-41.2	-176.6	-77.5	-179.2	178.4	0	0	113.1	K570 R571 D572	E568-K570 VanDerWaalsContact C-N 3.29Å; E568-K570 PolarHBondContact O-N 3.42Å; E568-R571 VanDerWaalsContact CG-NH2 3.35Å; E568-R571 PolarHBondContact O-N 3.26Å; E568-D572 PolarHBondContact O-N 2.83Å
569	D	92.4	Very high	90.8	Very high	87 Å²	87	65.5 Å²	65.5	47%	0.465	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-62.9	-35.4	177.5	64.8	-51.1	0	0	0	112.2	Y567 R571 D572 Y575	Y567-D569 WeakPolarHBondContact CB-OD1 3.48Å; Y567-D569 PolarHBondContact O-N 2.75Å; D569-R571 PolarHBondContact O-N 3.46Å; D569-D572 WeakPolarHBondContact O-CB 3.39Å; D569-D572 PolarHBondContact O-N 3.09Å; D569-Y575 WeakPolarHBondContact O-CD1 3.48Å
570	K	92.9	Very high	91.7	Very high	26 Å²	26	65.1 Å²	65.1	11%	0.113	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-72.8	-18.5	179.6	-55.1	-59.7	175.4	178.8	0	113.3	L553 W564 Y567 E568 Y575 F586	L553-K570 WeakPolarHBondContact CD1-O 3.46Å; W564-K570 HydrophobicContact CE3-CD 4.3Å; W564-K570 HydrophobicContact CE3-CG 4.13Å; W564-K570 VanDerWaalsContact O-CB 3.31Å; W564-K570 WeakPolarHBondContact O-CB 3.45Å; Y567-K570 HydrophobicContact CG-CG 4.25Å; Y567-K570 PolarHBondContact O-N 3.42Å; E568-K570 VanDerWaalsContact C-N 3.29Å; E568-K570 PolarHBondContact O-N 3.42Å; K570-Y575 HydrophobicContact CB-CE1 4.32Å; K570-Y575 HydrophobicContact CD-CD1 4.34Å; K570-Y575 HydrophobicContact CD-CE1 3.47Å; K570-Y575 VanDerWaalsContact CD-CE1 3.47Å; K570-Y575 HydrophobicContact CG-CE1 4.5Å; K570-Y575 PolarHBondContact NZ-OH 3.16Å; K570-F586 WeakPolarHBondContact CE-O 3.36Å; K570-F586 PolarHBondContact NZ-O 3.21Å
571	R	93.3	Very high	92.4	Very high	70 Å²	70	65.8 Å²	65.8	26%	0.264	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-90.2	-9.4	174.7	-67.9	-169.7	-62.4	-137.8	7.8	113	Y550 G565 Y567 E568 D569 L573	Y550-R571 HydrophobicContact CD2-CB 3.83Å; Y550-R571 HydrophobicContact CD2-CG 4.3Å; Y550-R571 WeakPolarHBondContact CD2-O 3.32Å; Y550-R571 HydrophobicContact CE2-CB 3.8Å; Y550-R571 HydrophobicContact CE2-CG 4.22Å; G565-R571 VanDerWaalsContact O-CD 3.25Å; G565-R571 WeakPolarHBondContact O-CD 3.31Å; G565-R571 PolarHBondContact O-NH1 2.65Å; Y567-R571 PolarHBondContact O-N 3.36Å; E568-R571 VanDerWaalsContact CG-NH2 3.35Å; E568-R571 PolarHBondContact O-N 3.26Å; D569-R571 PolarHBondContact O-N 3.46Å; R571-L573 PolarHBondContact O-N 3.25Å
572	D	95.6	Very high	92.9	Very high	72 Å²	72	59.7 Å²	59.7	39%	0.385	28%	0.281	S	S	.	.			trans	-64.3	132.1	178.9	177.4	-100.2	0	0	0	111.1	E568 D569 N574 Y575 I576	E568-D572 PolarHBondContact O-N 2.83Å; D569-D572 WeakPolarHBondContact O-CB 3.39Å; D569-D572 PolarHBondContact O-N 3.09Å; D572-N574 VanDerWaalsContact C-N 3.3Å; D572-N574 PolarHBondContact O-N 3.36Å; D572-N574 VanDerWaalsContact OD1-CA 3.32Å; D572-N574 WeakPolarHBondContact OD1-CA 3.49Å; D572-N574 VanDerWaalsContact OD1-CB 3.23Å; D572-N574 WeakPolarHBondContact OD1-CB 3.47Å; D572-N574 PolarHBondContact OD1-N 2.64Å; D572-Y575 WeakPolarHBondContact O-CB 3.22Å; D572-Y575 PolarHBondContact O-N 3.33Å; D572-Y575 PolarHBondContact OD1-N 2.87Å; D572-I576 WeakPolarHBondContact O-CG1 3.47Å; D572-I576 PolarHBondContact O-N 3.26Å
573	L	96.3	Very high	93.1	Very high	55 Å²	55	56.9 Å²	56.9	29%	0.288	26%	0.263	S	S	.	.	H	α-helix	trans	-69.7	-28.9	-175.9	-65.2	-179.8	0	0	0	112.1	P546 R571 I576 R577	P546-L573 HydrophobicContact CB-CD2 4.19Å; R571-L573 PolarHBondContact O-N 3.25Å; L573-I576 HydrophobicContact CD2-CD1 4.45Å; L573-R577 WeakPolarHBondContact O-CB 3.29Å; L573-R577 WeakPolarHBondContact O-CG 3.35Å; L573-R577 PolarHBondContact O-N 3.05Å
574	N	95.8	Very high	93.3	Very high	104 Å²	104	56 Å²	56	56%	0.556	26%	0.26	S	S	*	.	H	α-helix	trans	-73.5	-40.3	176.1	-61.3	-38.1	0	0	0	110.6	D572 I576 R577 E578	D572-N574 VanDerWaalsContact C-N 3.3Å; D572-N574 PolarHBondContact O-N 3.36Å; D572-N574 VanDerWaalsContact OD1-CA 3.32Å; D572-N574 WeakPolarHBondContact OD1-CA 3.49Å; D572-N574 VanDerWaalsContact OD1-CB 3.23Å; D572-N574 WeakPolarHBondContact OD1-CB 3.47Å; D572-N574 PolarHBondContact OD1-N 2.64Å; N574-I576 PolarHBondContact O-N 2.59Å; N574-R577 PolarHBondContact O-N 3.2Å; N574-R577 PolarHBondContact OD1-NH1 3.32Å; N574-E578 WeakPolarHBondContact O-CB 3.19Å; N574-E578 PolarHBondContact O-N 2.79Å
575	Y	95.1	Very high	93.4	Very high	53 Å²	53	56.7 Å²	56.7	21%	0.208	26%	0.263	C	S	.	.	H	α-helix	trans	-56.9	-47.2	170.3	174.9	-104.6	0	0	0	111.9	D569 K570 D572 R577 E578 L579 F586	D569-Y575 WeakPolarHBondContact O-CD1 3.48Å; K570-Y575 HydrophobicContact CB-CE1 4.32Å; K570-Y575 HydrophobicContact CD-CD1 4.34Å; K570-Y575 HydrophobicContact CD-CE1 3.47Å; K570-Y575 VanDerWaalsContact CD-CE1 3.47Å; K570-Y575 HydrophobicContact CG-CE1 4.5Å; K570-Y575 PolarHBondContact NZ-OH 3.16Å; D572-Y575 WeakPolarHBondContact O-CB 3.22Å; D572-Y575 PolarHBondContact O-N 3.33Å; D572-Y575 PolarHBondContact OD1-N 2.87Å; Y575-R577 PolarHBondContact O-N 2.62Å; Y575-E578 WeakPolarHBondContact O-CB 3.17Å; Y575-E578 PolarHBondContact O-N 3.34Å; Y575-L579 HydrophobicContact CD1-CD1 4.07Å; Y575-L579 HydrophobicContact CD1-CG 4.43Å; Y575-L579 HydrophobicContact CE1-CD1 3.37Å; Y575-L579 HydrophobicContact CE1-CG 3.94Å; Y575-L579 HydrophobicContact CE2-CD2 4.31Å; Y575-L579 HydrophobicContact CE2-CG 4.24Å; Y575-L579 PolarHBondContact O-N 2.77Å; Y575-F586 HydrophobicContact CE1-CD1 4.11Å; Y575-F586 PolarHBondContact OH-O 3.43Å
576	I	96.3	Very high	93.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-43	177.8	-67.7	166.1	0	0	0	111.4	P546 I549 L553 D572 L573 N574 E578 L579 I580	P546-I576 HydrophobicContact CB-CB 4.46Å; P546-I576 HydrophobicContact CB-CG2 3.89Å; I549-I576 HydrophobicContact CB-CD1 4.5Å; I549-I576 HydrophobicContact CB-CG2 3.87Å; I549-I576 HydrophobicContact CD1-CG2 3.78Å; I549-I576 HydrophobicContact CG1-CG2 4.36Å; I549-I576 HydrophobicContact CG2-CD1 4.05Å; I549-I576 HydrophobicContact CG2-CG1 4.18Å; I549-I576 HydrophobicContact CG2-CG2 3.8Å; L553-I576 HydrophobicContact CD1-CD1 4.19Å; D572-I576 WeakPolarHBondContact O-CG1 3.47Å; D572-I576 PolarHBondContact O-N 3.26Å; L573-I576 HydrophobicContact CD2-CD1 4.45Å; N574-I576 PolarHBondContact O-N 2.59Å; I576-E578 VanDerWaalsContact C-N 3.26Å; I576-E578 PolarHBondContact O-N 3.32Å; I576-L579 WeakPolarHBondContact O-CB 3.3Å; I576-L579 PolarHBondContact O-N 2.75Å; I576-I580 HydrophobicContact CG2-CD1 4.1Å; I576-I580 WeakPolarHBondContact O-CG1 3.36Å; I576-I580 PolarHBondContact O-N 3.48Å
577	R	96.3	Very high	93.5	Very high	73 Å²	73	56.6 Å²	56.6	28%	0.275	26%	0.262	S	S	.	.	H	α-helix	trans	-59.2	-40.3	174.9	-73.5	171.6	-169.5	128.8	7.1	111.6	P546 E547 L573 N574 Y575 I580 R581 Y623	P546-R577 HydrophobicContact CB-CG 4.2Å; P546-R577 HydrophobicContact CG-CG 3.64Å; E547-R577 IonicContact OE1-NH2 4Å; L573-R577 WeakPolarHBondContact O-CB 3.29Å; L573-R577 WeakPolarHBondContact O-CG 3.35Å; L573-R577 PolarHBondContact O-N 3.05Å; N574-R577 PolarHBondContact O-N 3.2Å; N574-R577 PolarHBondContact OD1-NH1 3.32Å; Y575-R577 PolarHBondContact O-N 2.62Å; R577-I580 PolarHBondContact O-N 2.84Å; R577-R581 WeakPolarHBondContact O-CB 3.37Å; R577-R581 PolarHBondContact O-N 3.42Å; R577-Y623 HydrophobicContact CB-CD1 4.29Å; R577-Y623 HydrophobicContact CB-CE1 4.22Å; R577-Y623 HydrophobicContact CB-CE2 4.46Å; R577-Y623 HydrophobicContact CB-CG 4.47Å; R577-Y623 HydrophobicContact CG-CD1 4.28Å; R577-Y623 HydrophobicContact CG-CE1 3.72Å; R577-Y623 HydrophobicContact CG-CE2 4.18Å
578	E	94.5	Very high	93.1	Very high	82 Å²	82	53.7 Å²	53.7	38%	0.383	27%	0.266	S	S	.	.	H	α-helix	trans	-65.9	-39.3	177	-177.2	57	-159.4	0	0	112.2	N574 Y575 I576 R581 T582	N574-E578 WeakPolarHBondContact O-CB 3.19Å; N574-E578 PolarHBondContact O-N 2.79Å; Y575-E578 WeakPolarHBondContact O-CB 3.17Å; Y575-E578 PolarHBondContact O-N 3.34Å; I576-E578 VanDerWaalsContact C-N 3.26Å; I576-E578 PolarHBondContact O-N 3.32Å; E578-R581 WeakPolarHBondContact O-CB 3.36Å; E578-R581 PolarHBondContact O-N 3.49Å; E578-R581 IonicContact OE1-CZ 3.38Å; E578-R581 IonicContact OE1-NE 3.36Å; E578-R581 PolarHBondContact OE1-NE 3.47Å; E578-R581 IonicContact OE1-NH2 2.63Å; E578-R581 PolarHBondContact OE1-NH2 3.47Å; E578-R581 IonicContact OE2-CZ 3.54Å; E578-R581 IonicContact OE2-NE 2.74Å; E578-R581 PolarHBondContact OE2-NE 3.17Å; E578-R581 IonicContact OE2-NH2 3.49Å; E578-R581 PolarHBondContact OE2-NH2 3.18Å; E578-T582 WeakPolarHBondContact O-CB 3.38Å; E578-T582 WeakPolarHBondContact O-CG2 3.29Å; E578-T582 PolarHBondContact O-N 3.1Å; E578-T582 PolarHBondContact O-OG1 3.39Å; E578-T582 WeakPolarHBondContact OE1-CG2 3.45Å
579	L	94.2	Very high	92.7	Very high	10 Å²	10	48 Å²	48	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-46.6	171.5	-73.5	-178.1	0	0	0	111.9	Y470 Y575 I576 R581 T582 G583 G584 F586	Y470-L579 HydrophobicContact CE2-CB 4.29Å; Y470-L579 WeakPolarHBondContact CE2-O 3.37Å; Y575-L579 HydrophobicContact CD1-CD1 4.07Å; Y575-L579 HydrophobicContact CD1-CG 4.43Å; Y575-L579 HydrophobicContact CE1-CD1 3.37Å; Y575-L579 HydrophobicContact CE1-CG 3.94Å; Y575-L579 HydrophobicContact CE2-CD2 4.31Å; Y575-L579 HydrophobicContact CE2-CG 4.24Å; Y575-L579 PolarHBondContact O-N 2.77Å; I576-L579 WeakPolarHBondContact O-CB 3.3Å; I576-L579 PolarHBondContact O-N 2.75Å; L579-R581 VanDerWaalsContact C-N 3.3Å; L579-R581 PolarHBondContact O-N 3.19Å; L579-T582 PolarHBondContact O-N 2.95Å; L579-T582 PolarHBondContact O-OG1 3.2Å; L579-G583 WeakPolarHBondContact O-CA 3.12Å; L579-G583 PolarHBondContact O-N 2.87Å; L579-G584 PolarHBondContact O-N 3.14Å; L579-F586 HydrophobicContact CD1-CD1 3.59Å; L579-F586 HydrophobicContact CD1-CE1 3.52Å; L579-F586 HydrophobicContact CD1-CG 4.16Å; L579-F586 HydrophobicContact CD1-CZ 4.04Å
580	I	94.9	Very high	91.9	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-42.7	176.6	-61.2	166	0	0	0	110.3	Y470 F473 W474 P546 I549 I576 R577 T582 N621 Y623	Y470-I580 HydrophobicContact CD1-CG1 3.97Å; Y470-I580 HydrophobicContact CD2-CB 4.43Å; Y470-I580 HydrophobicContact CD2-CG1 4.32Å; Y470-I580 HydrophobicContact CG-CB 4.32Å; Y470-I580 HydrophobicContact CG-CG1 3.85Å; F473-I580 HydrophobicContact CE2-CG2 4.44Å; F473-I580 HydrophobicContact CZ-CG2 4.04Å; W474-I580 PolarHBondContact NE1-O 2.85Å; P546-I580 HydrophobicContact CG-CD1 3.99Å; I549-I580 HydrophobicContact CD1-CD1 3.91Å; I549-I580 HydrophobicContact CD1-CG1 4.01Å; I576-I580 HydrophobicContact CG2-CD1 4.1Å; I576-I580 WeakPolarHBondContact O-CG1 3.36Å; I576-I580 PolarHBondContact O-N 3.48Å; R577-I580 PolarHBondContact O-N 2.84Å; I580-T582 VanDerWaalsContact C-N 3.32Å; I580-T582 PolarHBondContact O-N 2.88Å; I580-N621 PolarHBondContact O-ND2 3.06Å; I580-Y623 HydrophobicContact CB-CD2 3.88Å; I580-Y623 HydrophobicContact CB-CE2 4.12Å; I580-Y623 HydrophobicContact CD1-CD2 4.48Å; I580-Y623 HydrophobicContact CD1-CE2 3.85Å; I580-Y623 HydrophobicContact CG2-CD2 3.67Å; I580-Y623 HydrophobicContact CG2-CE2 3.93Å
581	R	93.8	Very high	90.9	Very high	85 Å²	85	51.4 Å²	51.4	32%	0.321	26%	0.264	S	S	.	.	H	α-helix	trans	-60.2	-41.9	-179.9	-171.1	-175.6	74.9	77.7	0.1	112	W474 R577 E578 L579 N621 Y623	W474-R581 WeakPolarHBondContact CZ2-O 3.43Å; R577-R581 WeakPolarHBondContact O-CB 3.37Å; R577-R581 PolarHBondContact O-N 3.42Å; E578-R581 WeakPolarHBondContact O-CB 3.36Å; E578-R581 PolarHBondContact O-N 3.49Å; E578-R581 IonicContact OE1-CZ 3.38Å; E578-R581 IonicContact OE1-NE 3.36Å; E578-R581 PolarHBondContact OE1-NE 3.47Å; E578-R581 IonicContact OE1-NH2 2.63Å; E578-R581 PolarHBondContact OE1-NH2 3.47Å; E578-R581 IonicContact OE2-CZ 3.54Å; E578-R581 IonicContact OE2-NE 2.74Å; E578-R581 PolarHBondContact OE2-NE 3.17Å; E578-R581 IonicContact OE2-NH2 3.49Å; E578-R581 PolarHBondContact OE2-NH2 3.18Å; L579-R581 VanDerWaalsContact C-N 3.3Å; L579-R581 PolarHBondContact O-N 3.19Å; R581-N621 PolarHBondContact O-ND2 3.2Å; R581-N621 VanDerWaalsContact O-ND2 3.09Å; R581-Y623 WeakPolarHBondContact CD-O 3.22Å; R581-Y623 WeakPolarHBondContact CG-O 3.35Å
582	T	92	Very high	90.3	Very high	41 Å²	41	56.5 Å²	56.5	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-97.6	-18.2	-171.7	55.9	0	0	0	0	114	E578 L579 I580 G584	E578-T582 WeakPolarHBondContact O-CB 3.38Å; E578-T582 WeakPolarHBondContact O-CG2 3.29Å; E578-T582 PolarHBondContact O-N 3.1Å; E578-T582 PolarHBondContact O-OG1 3.39Å; E578-T582 WeakPolarHBondContact OE1-CG2 3.45Å; L579-T582 PolarHBondContact O-N 2.95Å; L579-T582 PolarHBondContact O-OG1 3.2Å; I580-T582 VanDerWaalsContact C-N 3.32Å; I580-T582 PolarHBondContact O-N 2.88Å; T582-G584 VanDerWaalsContact C-N 3.28Å; T582-G584 PolarHBondContact OG1-N 2.77Å
583	G	92.1	Very high	89.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	15.9	-169.8	0	0	0	0	0	113.4	L579 Y593	L579-G583 WeakPolarHBondContact O-CA 3.12Å; L579-G583 PolarHBondContact O-N 2.87Å; G583-Y593 VanDerWaalsContact O-CD2 3.29Å; G583-Y593 WeakPolarHBondContact O-CD2 3.35Å; G583-Y593 WeakPolarHBondContact O-CE2 3.13Å
584	G	92	Very high	89.4	Confident	2 Å²	2	53.7 Å²	53.7	2%	0.021	28%	0.278	C	S	.	.			trans	-69	164.4	178.5	0	0	0	0	0	113.6	Y470 L579 T582 S589	Y470-G584 VanDerWaalsContact CE2-O 3.29Å; Y470-G584 WeakPolarHBondContact CE2-O 3.42Å; Y470-G584 PolarHBondContact OH-O 3.34Å; L579-G584 PolarHBondContact O-N 3.14Å; T582-G584 VanDerWaalsContact C-N 3.28Å; T582-G584 PolarHBondContact OG1-N 2.77Å; G584-S589 WeakPolarHBondContact CA-O 3.49Å
585	W	92.1	Very high	89.1	Confident	67 Å²	67	52.9 Å²	52.9	25%	0.254	28%	0.278	S	S	.	.			trans	-106.7	162.2	173.9	-163.2	-106.7	0	0	0	111.7	L469 W542 D587 G588 S589	L469-W585 HydrophobicContact CD1-CE3 4.14Å; L469-W585 HydrophobicContact CD1-CZ3 3.65Å; L469-W585 HydrophobicContact CD2-CE3 4.29Å; L469-W585 HydrophobicContact CD2-CZ3 4.5Å; W542-W585 AromaticContact CD1-CH2 3.79Å; W542-W585 AromaticContact CD1-CZ3 3.77Å; W542-W585 AromaticContact NE1-CH2 3.4Å; W542-W585 AromaticContact NE1-CZ2 3.98Å; W542-W585 AromaticContact NE1-CZ3 3.8Å; W585-D587 WeakPolarHBondContact CB-OD1 3.46Å; W585-D587 PolarHBondContact O-N 3.4Å; W585-D587 VanDerWaalsContact O-N 3.16Å; W585-G588 PolarHBondContact O-N 3.43Å; W585-S589 PolarHBondContact N-O 3.38Å
586	F	90.7	Very high	88.9	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.7	-174.5	-67.7	-82.2	0	0	0	114.2	W542 I549 L553 W564 K570 Y575 L579 G588	W542-F586 AromaticContact CD2-CE2 3.73Å; W542-F586 HydrophobicContact CD2-CE2 3.73Å; W542-F586 HydrophobicContact CD2-CZ 4.21Å; W542-F586 AromaticContact CE2-CE2 3.48Å; W542-F586 VanDerWaalsContact CE2-CE2 3.48Å; W542-F586 HydrophobicContact CE3-CE2 4.13Å; W542-F586 HydrophobicContact CE3-CZ 4.18Å; W542-F586 HydrophobicContact CG-CE2 4.22Å; W542-F586 HydrophobicContact CH2-CE2 4.09Å; W542-F586 HydrophobicContact CH2-CZ 4.38Å; W542-F586 HydrophobicContact CZ2-CD2 4.19Å; W542-F586 AromaticContact CZ2-CE2 3.69Å; W542-F586 HydrophobicContact CZ2-CE2 3.69Å; W542-F586 HydrophobicContact CZ2-CZ 4.41Å; W542-F586 HydrophobicContact CZ3-CE2 4.28Å; W542-F586 HydrophobicContact CZ3-CZ 4.25Å; W542-F586 AromaticContact NE1-CE2 3.79Å; I549-F586 HydrophobicContact CG2-CE1 4.28Å; I549-F586 HydrophobicContact CG2-CZ 3.7Å; L553-F586 HydrophobicContact CD1-CE1 3.76Å; L553-F586 HydrophobicContact CD1-CZ 4.23Å; L553-F586 HydrophobicContact CD2-CD1 4.29Å; L553-F586 HydrophobicContact CD2-CE1 4.02Å; L553-F586 HydrophobicContact CD2-CZ 4.19Å; L553-F586 HydrophobicContact CG-CE1 4.36Å; L553-F586 HydrophobicContact CG-CZ 4.48Å; W564-F586 HydrophobicContact CB-CB 4.14Å; W564-F586 HydrophobicContact CB-CD1 4.4Å; W564-F586 HydrophobicContact CB-CG 4.28Å; W564-F586 HydrophobicContact CD2-CB 3.4Å; W564-F586 HydrophobicContact CD2-CG 4.42Å; W564-F586 HydrophobicContact CE3-CB 3.96Å; W564-F586 HydrophobicContact CG-CB 3.46Å; W564-F586 VanDerWaalsContact CG-CB 3.46Å; W564-F586 HydrophobicContact CG-CG 4.01Å; W564-F586 HydrophobicContact CZ2-CB 4.34Å; W564-F586 WeakPolarHBondContact CZ3-O 3.5Å; K570-F586 WeakPolarHBondContact CE-O 3.36Å; K570-F586 PolarHBondContact NZ-O 3.21Å; Y575-F586 HydrophobicContact CE1-CD1 4.11Å; Y575-F586 PolarHBondContact OH-O 3.43Å; L579-F586 HydrophobicContact CD1-CD1 3.59Å; L579-F586 HydrophobicContact CD1-CE1 3.52Å; L579-F586 HydrophobicContact CD1-CG 4.16Å; L579-F586 HydrophobicContact CD1-CZ 4.04Å; F586-G588 PolarHBondContact O-N 3.19Å
587	D	88.9	Confident	88.7	Confident	89 Å²	89	55.3 Å²	55.3	48%	0.476	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-0.3	173.4	64.9	-0.4	0	0	0	114.1	W564 W585 S589	W564-D587 HydrophobicContact CH2-CB 3.61Å; W564-D587 HydrophobicContact CZ2-CB 3.55Å; W585-D587 WeakPolarHBondContact CB-OD1 3.46Å; W585-D587 PolarHBondContact O-N 3.4Å; W585-D587 VanDerWaalsContact O-N 3.16Å; D587-S589 VanDerWaalsContact C-N 3.25Å; D587-S589 WeakPolarHBondContact OD1-CB 3.33Å; D587-S589 PolarHBondContact OD1-N 2.98Å; D587-S589 PolarHBondContact OD1-OG 3.47Å; D587-S589 PolarHBondContact OD2-OG 3.34Å
588	G	84.4	Confident	88.5	Confident	50 Å²	50	55.8 Å²	55.8	52%	0.515	31%	0.309	S	S	.	.	S	Bend	trans	82.1	0.9	-176	0	0	0	0	0	113.5	W585 F586 V590	W585-G588 PolarHBondContact O-N 3.43Å; F586-G588 PolarHBondContact O-N 3.19Å; G588-V590 PolarHBondContact O-N 3.4Å
589	S	83.1	Confident	88.4	Confident	37 Å²	37	60.9 Å²	60.9	26%	0.259	33%	0.33	S	S	.	.			trans	-67.6	126.1	170.4	68	0	0	0	0	109.7	G584 W585 D587	G584-S589 WeakPolarHBondContact CA-O 3.49Å; W585-S589 PolarHBondContact N-O 3.38Å; D587-S589 VanDerWaalsContact C-N 3.25Å; D587-S589 WeakPolarHBondContact OD1-CB 3.33Å; D587-S589 PolarHBondContact OD1-N 2.98Å; D587-S589 PolarHBondContact OD1-OG 3.47Å; D587-S589 PolarHBondContact OD2-OG 3.34Å
590	V	75.4	Confident	88.2	Confident	106 Å²	106	62.4 Å²	62.4	64%	0.642	34%	0.337	S	S	*	.			trans	-96.4	100	169.6	-176.1	0	0	0	0	106	G588	G588-V590 PolarHBondContact O-N 3.4Å
591	Q	73.3	Confident	87.9	Confident	78 Å²	78	68.7 Å²	68.7	36%	0.364	37%	0.366	S	S	.	.			trans	-83.5	127.2	170.6	-69.9	-177.9	34.9	0	0	107.5	Y593	Q591-Y593 HydrophobicContact CB-CD1 4.1Å; Q591-Y593 HydrophobicContact CB-CD2 3.99Å; Q591-Y593 HydrophobicContact CB-CE1 3.75Å; Q591-Y593 HydrophobicContact CB-CE2 3.66Å; Q591-Y593 HydrophobicContact CB-CG 4.22Å; Q591-Y593 HydrophobicContact CG-CE1 4.43Å; Q591-Y593 PolarHBondContact O-N 3.21Å; Q591-Y593 PolarHBondContact OE1-OH 2.97Å
592	E	79.4	Confident	87.8	Confident	178 Å²	178	65.9 Å²	65.9	83%	0.832	36%	0.357	S	S	*	.			trans	-72.5	62	173.4	-66.1	-176.8	177	0	0	110
593	Y	85.3	Confident	88	Confident	15 Å²	15	64.3 Å²	64.3	6%	0.059	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-62.4	128.5	173.1	-63.7	-51.7	0	0	0	108.6	L469 W474 Q476 F477 G583 Q591	L469-Y593 HydrophobicContact CD2-CD2 3.87Å; L469-Y593 HydrophobicContact CD2-CE2 3.36Å; W474-Y593 VanDerWaalsContact CZ3-O 3.24Å; W474-Y593 WeakPolarHBondContact CZ3-O 3.32Å; Q476-Y593 HydrophobicContact CB-CD1 4.39Å; Q476-Y593 HydrophobicContact CB-CE1 4.06Å; Q476-Y593 HydrophobicContact CG-CD1 4.34Å; Q476-Y593 HydrophobicContact CG-CE1 3.95Å; Q476-Y593 HydrophobicContact CG-CE2 4.42Å; Q476-Y593 PolarHBondContact NE2-OH 3.38Å; F477-Y593 HydrophobicContact CD2-CD1 4.14Å; F477-Y593 HydrophobicContact CD2-CE1 4.34Å; F477-Y593 HydrophobicContact CE2-CD1 4.17Å; G583-Y593 VanDerWaalsContact O-CD2 3.29Å; G583-Y593 WeakPolarHBondContact O-CD2 3.35Å; G583-Y593 WeakPolarHBondContact O-CE2 3.13Å; Q591-Y593 HydrophobicContact CB-CD1 4.1Å; Q591-Y593 HydrophobicContact CB-CD2 3.99Å; Q591-Y593 HydrophobicContact CB-CE1 3.75Å; Q591-Y593 HydrophobicContact CB-CE2 3.66Å; Q591-Y593 HydrophobicContact CB-CG 4.22Å; Q591-Y593 HydrophobicContact CG-CE1 4.43Å; Q591-Y593 PolarHBondContact O-N 3.21Å; Q591-Y593 PolarHBondContact OE1-OH 2.97Å
594	P	87.5	Confident	88.3	Confident	52 Å²	52	64.3 Å²	64.3	34%	0.338	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-64.1	134.1	175.6	25.8	-33	0	0	0	109.1	K475 F477 A596	K475-P594 PolarHBondContact N-O 2.91Å; F477-P594 HydrophobicContact CE1-CG 4.24Å; P594-A596 PolarHBondContact O-N 3.35Å
595	P	90.3	Very high	88.6	Confident	88 Å²	88	64.2 Å²	64.2	57%	0.571	35%	0.346	S	S	*	.	B	Isolated β-bridge	trans	-53.7	131.4	161.3	-20.7	31.2	0	0	0	108.7	F473 W474	F473-P595 WeakPolarHBondContact O-CA 3.28Å; W474-P595 HydrophobicContact CH2-CG 4.35Å; W474-P595 HydrophobicContact CZ3-CB 4.36Å; W474-P595 HydrophobicContact CZ3-CG 3.75Å
596	A	91.4	Very high	88.8	Confident	13 Å²	13	66.8 Å²	66.8	11%	0.107	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-75.9	137.3	178.8	0	0	0	0	0	110.6	F472 F473 K475 P594 P598 F603	F472-A596 WeakPolarHBondContact O-CB 3.17Å; F473-A596 PolarHBondContact O-N 3.46Å; K475-A596 HydrophobicContact CB-CB 4.16Å; P594-A596 PolarHBondContact O-N 3.35Å; A596-P598 WeakPolarHBondContact O-CD 3.49Å; A596-F603 HydrophobicContact CB-CD2 3.83Å; A596-F603 HydrophobicContact CB-CE2 3.55Å
597	D	92	Very high	89.1	Confident	90 Å²	90	68.1 Å²	68.1	48%	0.481	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-74.7	121.1	169.9	-179	-7.5	0	0	0	108.5	K599 E600 F603	D597-K599 PolarHBondContact O-N 3.35Å; D597-K599 WeakPolarHBondContact OD1-CB 3.36Å; D597-K599 PolarHBondContact OD1-N 3.43Å; D597-E600 HydrophobicContact CB-CB 4.45Å; D597-E600 VanDerWaalsContact O-CB 3.3Å; D597-E600 WeakPolarHBondContact O-CB 3.41Å; D597-E600 WeakPolarHBondContact O-CG 3.29Å; D597-E600 PolarHBondContact O-N 3.45Å; D597-F603 WeakPolarHBondContact O-CD2 3.41Å
598	P	91.8	Very high	89.5	Confident	84 Å²	84	63.9 Å²	63.9	55%	0.545	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.5	177	-25.9	35.9	0	0	0	114.6	A596 F603	A596-P598 WeakPolarHBondContact O-CD 3.49Å; P598-F603 HydrophobicContact CB-CD1 4.47Å; P598-F603 HydrophobicContact CB-CE1 4.25Å; P598-F603 HydrophobicContact CB-CE2 4.49Å; P598-F603 HydrophobicContact CB-CZ 4.27Å; P598-F603 HydrophobicContact CG-CE2 4.41Å; P598-F603 HydrophobicContact CG-CZ 4.23Å
599	K	91.4	Very high	90.1	Very high	188 Å²	188	65.6 Å²	65.6	82%	0.817	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.6	175.5	-61.5	178.3	-178.5	174.5	0	113.4	D597	D597-K599 PolarHBondContact O-N 3.35Å; D597-K599 WeakPolarHBondContact OD1-CB 3.36Å; D597-K599 PolarHBondContact OD1-N 3.43Å
600	E	91.1	Very high	90.7	Very high	43 Å²	43	70 Å²	70	20%	0.201	35%	0.353	C	S	.	.	S	Bend	trans	-65.8	145.3	178.7	83.2	177.7	-178.6	0	0	111.1	R466 K475 D597 M602 F603	R466-E600 IonicContact CZ-OE1 3.88Å; R466-E600 IonicContact NE-OE1 3.62Å; R466-E600 PolarHBondContact NE-OE1 3.31Å; R466-E600 IonicContact NH2-OE1 3.57Å; R466-E600 PolarHBondContact NH2-OE1 2.97Å; K475-E600 IonicContact NZ-OE1 2.77Å; K475-E600 IonicContact NZ-OE2 3.38Å; K475-E600 PolarHBondContact NZ-OE2 2.82Å; D597-E600 HydrophobicContact CB-CB 4.45Å; D597-E600 VanDerWaalsContact O-CB 3.3Å; D597-E600 WeakPolarHBondContact O-CB 3.41Å; D597-E600 WeakPolarHBondContact O-CG 3.29Å; D597-E600 PolarHBondContact O-N 3.45Å; E600-M602 PolarHBondContact O-N 2.83Å; E600-F603 HydrophobicContact CG-CB 3.99Å; E600-F603 HydrophobicContact CG-CD2 4.24Å; E600-F603 WeakPolarHBondContact O-CB 3.39Å; E600-F603 PolarHBondContact O-N 3.3Å
601	H	88.4	Confident	91.8	Very high	136 Å²	136	67.8 Å²	67.8	63%	0.63	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	133.9	176.9	178.9	-100.6	0	0	0	110.6	F603	H601-F603 VanDerWaalsContact C-N 3.27Å; H601-F603 PolarHBondContact O-N 2.88Å
602	M	92.3	Very high	92.8	Very high	27 Å²	27	68 Å²	68	13%	0.133	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	32.6	-177.9	-61	-81.5	-70.3	0	0	113.4	A444 R466 F535 W538 E600 A604	A444-M602 HydrophobicContact CB-CE 4.15Å; R466-M602 WeakPolarHBondContact CD-O 3.45Å; F535-M602 HydrophobicContact CB-CE 4.36Å; F535-M602 HydrophobicContact CD2-CB 4.21Å; W538-M602 HydrophobicContact CD2-CE 4.16Å; W538-M602 HydrophobicContact CE3-CE 4.37Å; W538-M602 HydrophobicContact CH2-CE 3.62Å; W538-M602 HydrophobicContact CH2-SD 3.9Å; W538-M602 HydrophobicContact CZ2-CB 4.44Å; W538-M602 HydrophobicContact CZ2-CE 3.34Å; W538-M602 HydrophobicContact CZ2-SD 3.43Å; W538-M602 WeakPolarHBondContact CZ2-SD 3.01Å; W538-M602 HydrophobicContact CZ3-CE 4.13Å; W538-M602 PolarHBondContact NE1-O 2.91Å; E600-M602 PolarHBondContact O-N 2.83Å; M602-A604 PolarHBondContact O-N 2.92Å
603	F	96.3	Very high	93.6	Very high	7 Å²	7	68.6 Å²	68.6	3%	0.031	34%	0.339	C	S	.	.	S	Bend	trans	-48.4	-56	174.5	174.6	-108.6	0	0	0	112.6	R466 F472 A596 D597 P598 E600 H601 M609 L619	R466-F603 PolarHBondContact NH1-O 3.01Å; F472-F603 HydrophobicContact CB-CE1 4.33Å; F472-F603 HydrophobicContact CB-CZ 4.32Å; F472-F603 WeakPolarHBondContact CD1-O 3.33Å; A596-F603 HydrophobicContact CB-CD2 3.83Å; A596-F603 HydrophobicContact CB-CE2 3.55Å; D597-F603 WeakPolarHBondContact O-CD2 3.41Å; P598-F603 HydrophobicContact CB-CD1 4.47Å; P598-F603 HydrophobicContact CB-CE1 4.25Å; P598-F603 HydrophobicContact CB-CE2 4.49Å; P598-F603 HydrophobicContact CB-CZ 4.27Å; P598-F603 HydrophobicContact CG-CE2 4.41Å; P598-F603 HydrophobicContact CG-CZ 4.23Å; E600-F603 HydrophobicContact CG-CB 3.99Å; E600-F603 HydrophobicContact CG-CD2 4.24Å; E600-F603 WeakPolarHBondContact O-CB 3.39Å; E600-F603 PolarHBondContact O-N 3.3Å; H601-F603 VanDerWaalsContact C-N 3.27Å; H601-F603 PolarHBondContact O-N 2.88Å; F603-M609 HydrophobicContact CD1-SD 4.41Å; F603-L619 HydrophobicContact CD1-CD2 4.25Å; F603-L619 HydrophobicContact CE1-CD2 3.66Å
604	A	97.5	Very high	93.9	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.008	35%	0.345	C	S	.	.	S	Bend	trans	-145.2	165.6	177.7	0	0	0	0	0	110.3	F472 M602 M609 L619	F472-A604 HydrophobicContact CB-CB 3.79Å; F472-A604 HydrophobicContact CD1-CB 3.91Å; F472-A604 HydrophobicContact CD2-CB 3.72Å; F472-A604 HydrophobicContact CE1-CB 4.48Å; F472-A604 HydrophobicContact CE2-CB 4.33Å; F472-A604 HydrophobicContact CG-CB 3.5Å; F472-A604 VanDerWaalsContact CG-CB 3.5Å; M602-A604 PolarHBondContact O-N 2.92Å; A604-M609 HydrophobicContact CB-CG 3.98Å; A604-M609 HydrophobicContact CB-SD 4.47Å; A604-M609 WeakPolarHBondContact O-CE 3.38Å; A604-L619 HydrophobicContact CB-CD2 3.74Å
605	P	97.8	Very high	94.4	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.329	C	S	.	.			trans	-51.8	142.4	168.3	-27.7	35.3	0	0	0	112.1	T344 E348 I442 F472 W538 Y607 I608 M609	T344-P605 HydrophobicContact CG2-CB 3.49Å; T344-P605 VanDerWaalsContact CG2-CB 3.49Å; T344-P605 HydrophobicContact CG2-CG 3.9Å; E348-P605 HydrophobicContact CG-CB 4.11Å; E348-P605 WeakPolarHBondContact OE1-CB 3.35Å; I442-P605 HydrophobicContact CD1-CG 4.31Å; F472-P605 VanDerWaalsContact CE1-CD 3.47Å; F472-P605 HydrophobicContact CE1-CG 4.33Å; F472-P605 HydrophobicContact CZ-CG 3.96Å; W538-P605 HydrophobicContact CD2-CG 3.91Å; W538-P605 HydrophobicContact CE3-CG 4.01Å; W538-P605 HydrophobicContact CG-CG 4.19Å; P605-Y607 VanDerWaalsContact C-N 3.34Å; P605-Y607 PolarHBondContact O-N 3.28Å; P605-I608 HydrophobicContact CB-CB 4.47Å; P605-I608 HydrophobicContact CB-CD1 4.3Å; P605-I608 HydrophobicContact CB-CG1 4.25Å; P605-I608 HydrophobicContact CG-CD1 4.05Å; P605-I608 PolarHBondContact O-N 3.37Å; P605-I608 VanDerWaalsContact O-N 3.16Å; P605-M609 PolarHBondContact O-N 3.34Å; P605-M609 VanDerWaalsContact O-N 3.15Å
606	K	96.1	Very high	94.6	Very high	120 Å²	120	68 Å²	68	52%	0.522	32%	0.322	S	S	.	.	H	α-helix	trans	-57.8	-45.2	-176.1	-179	178.7	168.8	-176.7	0	112.1	E348 I608 M609 E610	E348-K606 WeakPolarHBondContact OE1-CA 3.29Å; E348-K606 PolarHBondContact OE1-N 3.28Å; K606-I608 VanDerWaalsContact C-N 3.3Å; K606-I608 PolarHBondContact O-N 3.36Å; K606-M609 HydrophobicContact CB-CE 4.5Å; K606-M609 PolarHBondContact O-N 2.85Å; K606-M609 VanDerWaalsContact O-N 3.13Å; K606-E610 VanDerWaalsContact CE-CD 3.5Å; K606-E610 WeakPolarHBondContact CE-OE1 3.23Å; K606-E610 HydrophobicContact CG-CG 4.33Å; K606-E610 IonicContact NZ-OE1 3.09Å; K606-E610 WeakPolarHBondContact O-CG 3.4Å; K606-E610 PolarHBondContact O-N 2.77Å
607	Y	97.3	Very high	94.8	Very high	29 Å²	29	68.8 Å²	68.8	11%	0.114	32%	0.322	C	S	.	.	H	α-helix	trans	-59.9	-39.1	178.6	-177.8	-100	0	0	0	112.2	H343 H347 E348 P605 E610 N611 Y615	H343-Y607 PolarHBondContact CE1-OH 2.88Å; H343-Y607 AromaticContact ND1-CE1 3.96Å; H347-Y607 HydrophobicContact CB-CD1 4.13Å; H347-Y607 HydrophobicContact CB-CD2 3.43Å; H347-Y607 VanDerWaalsContact CB-CD2 3.43Å; H347-Y607 HydrophobicContact CB-CE1 4.46Å; H347-Y607 HydrophobicContact CB-CE2 3.82Å; H347-Y607 HydrophobicContact CB-CG 3.59Å; H347-Y607 AromaticContact CD2-CD2 3.89Å; H347-Y607 AromaticContact CD2-CE1 3.61Å; H347-Y607 AromaticContact CD2-CE2 3.33Å; H347-Y607 WeakPolarHBondContact CD2-CE2 3.21Å; H347-Y607 AromaticContact CD2-CZ 3.17Å; H347-Y607 PolarHBondContact CD2-OH 2.89Å; H347-Y607 AromaticContact CE1-CE2 3.7Å; H347-Y607 AromaticContact CG-CD2 3.48Å; H347-Y607 VanDerWaalsContact CG-CD2 3.48Å; H347-Y607 AromaticContact CG-CE2 3.29Å; H347-Y607 AromaticContact CG-CG 3.99Å; H347-Y607 AromaticContact CG-CZ 3.67Å; H347-Y607 AromaticContact ND1-CD2 3.94Å; H347-Y607 AromaticContact ND1-CE2 3.54Å; H347-Y607 AromaticContact NE2-CE2 3.59Å; H347-Y607 AromaticContact NE2-CZ 3.43Å; H347-Y607 PolarHBondContact NE2-OH 3.41Å; E348-Y607 WeakPolarHBondContact OE1-CB 3.33Å; E348-Y607 PolarHBondContact OE1-N 2.04Å; P605-Y607 VanDerWaalsContact C-N 3.34Å; P605-Y607 PolarHBondContact O-N 3.28Å; Y607-E610 PolarHBondContact O-N 3.03Å; Y607-N611 WeakPolarHBondContact CD2-ND2 3.32Å; Y607-N611 WeakPolarHBondContact CE2-ND2 3.17Å; Y607-N611 WeakPolarHBondContact O-CB 3.5Å; Y607-N611 PolarHBondContact O-N 2.98Å; Y607-N611 PolarHBondContact O-ND2 2.89Å; Y607-Y615 HydrophobicContact CD1-CE2 4.05Å; Y607-Y615 AromaticContact CE1-CE2 3.71Å; Y607-Y615 HydrophobicContact CE1-CE2 3.71Å
608	I	97.5	Very high	95	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.8	-45.4	175.9	-68.8	-176.1	0	0	0	110	T344 F472 P605 K606 N611 H612 Y615 L618 L619	T344-I608 HydrophobicContact CG2-CD1 3.79Å; T344-I608 HydrophobicContact CG2-CG1 3.63Å; T344-I608 WeakPolarHBondContact OG1-CD1 3.24Å; T344-I608 VanDerWaalsContact OG1-CG1 3.26Å; T344-I608 WeakPolarHBondContact OG1-CG1 3.29Å; F472-I608 HydrophobicContact CD2-CD1 4.41Å; F472-I608 HydrophobicContact CE2-CD1 3.47Å; F472-I608 VanDerWaalsContact CE2-CD1 3.47Å; F472-I608 HydrophobicContact CE2-CG2 4.49Å; F472-I608 HydrophobicContact CZ-CD1 4.01Å; P605-I608 HydrophobicContact CB-CB 4.47Å; P605-I608 HydrophobicContact CB-CD1 4.3Å; P605-I608 HydrophobicContact CB-CG1 4.25Å; P605-I608 HydrophobicContact CG-CD1 4.05Å; P605-I608 PolarHBondContact O-N 3.37Å; P605-I608 VanDerWaalsContact O-N 3.16Å; K606-I608 VanDerWaalsContact C-N 3.3Å; K606-I608 PolarHBondContact O-N 3.36Å; I608-N611 CarbonylContact O-C 3.5Å; I608-N611 PolarHBondContact O-N 2.86Å; I608-H612 PolarHBondContact O-N 2.97Å; I608-Y615 HydrophobicContact CB-CD2 4.34Å; I608-Y615 HydrophobicContact CB-CG 4.44Å; I608-Y615 HydrophobicContact CG1-CD2 4.21Å; I608-Y615 HydrophobicContact CG1-CG 4.23Å; I608-Y615 HydrophobicContact CG2-CD2 4.37Å; I608-Y615 HydrophobicContact CG2-CG 4.05Å; I608-L618 HydrophobicContact CD1-CD1 4.23Å; I608-L619 HydrophobicContact CG2-CD1 4.15Å; I608-L619 HydrophobicContact CG2-CD2 3.65Å; I608-L619 HydrophobicContact CG2-CG 3.84Å
609	M	96.4	Very high	95.3	Very high	85 Å²	85	61 Å²	61	42%	0.419	28%	0.276	S	S	.	.	H	α-helix	trans	-64	-40.4	179.1	-63.6	-172.2	-65.7	0	0	112.3	F603 A604 P605 K606 N611 L619	F603-M609 HydrophobicContact CD1-SD 4.41Å; A604-M609 HydrophobicContact CB-CG 3.98Å; A604-M609 HydrophobicContact CB-SD 4.47Å; A604-M609 WeakPolarHBondContact O-CE 3.38Å; P605-M609 PolarHBondContact O-N 3.34Å; P605-M609 VanDerWaalsContact O-N 3.15Å; K606-M609 HydrophobicContact CB-CE 4.5Å; K606-M609 PolarHBondContact O-N 2.85Å; K606-M609 VanDerWaalsContact O-N 3.13Å; M609-N611 VanDerWaalsContact C-N 3.28Å; M609-N611 PolarHBondContact O-N 2.84Å; M609-L619 HydrophobicContact CG-CD2 4.29Å
610	E	96.8	Very high	95.4	Very high	129 Å²	129	57 Å²	57	60%	0.603	26%	0.26	S	S	*	.	H	α-helix	trans	-69.8	-25.7	177.6	-71	176.1	161.5	0	0	112.5	K606 Y607	K606-E610 VanDerWaalsContact CE-CD 3.5Å; K606-E610 WeakPolarHBondContact CE-OE1 3.23Å; K606-E610 HydrophobicContact CG-CG 4.33Å; K606-E610 IonicContact NZ-OE1 3.09Å; K606-E610 WeakPolarHBondContact O-CG 3.4Å; K606-E610 PolarHBondContact O-N 2.77Å; Y607-E610 PolarHBondContact O-N 3.03Å
611	N	97.1	Very high	95.6	Very high	60 Å²	60	56.3 Å²	56.3	32%	0.321	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	43.4	178.5	-67	-85.1	0	0	0	111.9	Y607 I608 M609 K613 R614 Y615	Y607-N611 WeakPolarHBondContact CD2-ND2 3.32Å; Y607-N611 WeakPolarHBondContact CE2-ND2 3.17Å; Y607-N611 WeakPolarHBondContact O-CB 3.5Å; Y607-N611 PolarHBondContact O-N 2.98Å; Y607-N611 PolarHBondContact O-ND2 2.89Å; I608-N611 CarbonylContact O-C 3.5Å; I608-N611 PolarHBondContact O-N 2.86Å; M609-N611 VanDerWaalsContact C-N 3.28Å; M609-N611 PolarHBondContact O-N 2.84Å; N611-K613 VanDerWaalsContact C-N 3.33Å; N611-K613 PolarHBondContact O-N 2.91Å; N611-R614 PolarHBondContact O-N 3.29Å; N611-R614 VanDerWaalsContact O-N 3.08Å; N611-Y615 HydrophobicContact CB-CD2 3.75Å; N611-Y615 HydrophobicContact CB-CE2 3.85Å; N611-Y615 PolarHBondContact O-N 3.45Å; N611-Y615 VanDerWaalsContact O-N 3.17Å
612	H	95.3	Very high	95.7	Very high	82 Å²	82	52.2 Å²	52.2	38%	0.38	24%	0.243	S	C	.	.	H	α-helix	trans	-48.7	-47.2	-173.1	178.1	-78.2	0	0	0	113.6	I608 R614 Y615 H616 L619 E620	I608-H612 PolarHBondContact O-N 2.97Å; H612-R614 VanDerWaalsContact C-N 3.26Å; H612-R614 PolarHBondContact O-N 3.48Å; H612-Y615 CarbonylContact O-C 3.52Å; H612-Y615 PolarHBondContact O-N 2.92Å; H612-Y615 VanDerWaalsContact O-N 3.17Å; H612-H616 VanDerWaalsContact O-CA 3.29Å; H612-H616 WeakPolarHBondContact O-CA 3.47Å; H612-H616 WeakPolarHBondContact O-CB 3.33Å; H612-H616 PolarHBondContact O-N 2.77Å; H612-L619 HydrophobicContact CB-CD1 4.19Å; H612-E620 IonicContact CD2-OE1 2.68Å; H612-E620 IonicContact CE1-OE1 2.69Å; H612-E620 PolarHBondContact CE1-OE1 2.85Å; H612-E620 IonicContact NE2-OE1 3.03Å; H612-E620 PolarHBondContact NE2-OE1 3.34Å
613	K	95.3	Very high	95.6	Very high	191 Å²	191	52.6 Å²	52.6	83%	0.83	24%	0.243	S	C	*	.	H	α-helix	trans	-54.2	-43.1	-178	-174.4	-177.9	178.2	-172.3	0	112.6	N611 H616	N611-K613 VanDerWaalsContact C-N 3.33Å; N611-K613 PolarHBondContact O-N 2.91Å; K613-H616 PolarHBondContact O-ND1 3.31Å
614	R	93.5	Very high	95	Very high	52 Å²	52	59 Å²	59	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-72.6	-45.4	-179.6	178	175.4	172.8	178.5	-2.2	111.3	D340 H343 N611 H612	D340-R614 IonicContact OD1-CZ 2.86Å; D340-R614 IonicContact OD1-NE 3.76Å; D340-R614 IonicContact OD1-NH2 2.7Å; D340-R614 PolarHBondContact OD1-NH2 3.42Å; D340-R614 VanDerWaalsContact OD1-NH2 3.13Å; H343-R614 PolarHBondContact CE1-NH1 3.16Å; H343-R614 VanDerWaalsContact CE1-NH1 3.27Å; H343-R614 PolarHBondContact ND1-NH1 3.03Å; H343-R614 VanDerWaalsContact ND1-NH1 3.17Å; N611-R614 PolarHBondContact O-N 3.29Å; N611-R614 VanDerWaalsContact O-N 3.08Å; H612-R614 VanDerWaalsContact C-N 3.26Å; H612-R614 PolarHBondContact O-N 3.48Å
615	Y	96.5	Very high	93.6	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-100.1	19.5	-173.4	-58.3	-69.7	0	0	0	114.1	D340 H343 Y607 I608 N611 H612 Y617 L618 L619	D340-Y615 HydrophobicContact CB-CD1 4.45Å; D340-Y615 HydrophobicContact CB-CE1 3.81Å; H343-Y615 PolarHBondContact ND1-OH 3.31Å; Y607-Y615 HydrophobicContact CD1-CE2 4.05Å; Y607-Y615 AromaticContact CE1-CE2 3.71Å; Y607-Y615 HydrophobicContact CE1-CE2 3.71Å; I608-Y615 HydrophobicContact CB-CD2 4.34Å; I608-Y615 HydrophobicContact CB-CG 4.44Å; I608-Y615 HydrophobicContact CG1-CD2 4.21Å; I608-Y615 HydrophobicContact CG1-CG 4.23Å; I608-Y615 HydrophobicContact CG2-CD2 4.37Å; I608-Y615 HydrophobicContact CG2-CG 4.05Å; N611-Y615 HydrophobicContact CB-CD2 3.75Å; N611-Y615 HydrophobicContact CB-CE2 3.85Å; N611-Y615 PolarHBondContact O-N 3.45Å; N611-Y615 VanDerWaalsContact O-N 3.17Å; H612-Y615 CarbonylContact O-C 3.52Å; H612-Y615 PolarHBondContact O-N 2.92Å; H612-Y615 VanDerWaalsContact O-N 3.17Å; Y615-Y617 PolarHBondContact O-N 3.19Å; Y615-Y617 VanDerWaalsContact O-N 3.14Å; Y615-L618 HydrophobicContact CD1-CD1 4.04Å; Y615-L618 WeakPolarHBondContact O-CA 3.48Å; Y615-L618 WeakPolarHBondContact O-CB 3.46Å; Y615-L618 PolarHBondContact O-N 3.42Å; Y615-L619 PolarHBondContact O-N 3.22Å
616	H	95.5	Very high	91.6	Very high	91 Å²	91	73.5 Å²	73.5	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-56.3	-36.6	-176.4	76.3	-81.4	0	0	0	111.4	H612 K613 L618 L619 E620	H612-H616 VanDerWaalsContact O-CA 3.29Å; H612-H616 WeakPolarHBondContact O-CA 3.47Å; H612-H616 WeakPolarHBondContact O-CB 3.33Å; H612-H616 PolarHBondContact O-N 2.77Å; K613-H616 PolarHBondContact O-ND1 3.31Å; H616-L618 PolarHBondContact O-N 3.09Å; H616-L619 PolarHBondContact O-N 3.45Å; H616-E620 PolarHBondContact O-N 2.99Å
617	Y	95.4	Very high	89.1	Confident	29 Å²	29	73.2 Å²	73.2	11%	0.114	35%	0.349	C	S	.	.	H	α-helix	trans	-65.9	-16.7	177.8	80.9	-84	0	0	0	114.1	D340 F473 T545 Y615	D340-Y617 PolarHBondContact OD2-OH 2.82Å; F473-Y617 WeakPolarHBondContact CE1-O 3.42Å; T545-Y617 HydrophobicContact CG2-CD2 4.2Å; T545-Y617 HydrophobicContact CG2-CE2 4.16Å; Y615-Y617 PolarHBondContact O-N 3.19Å; Y615-Y617 VanDerWaalsContact O-N 3.14Å
618	L	96.9	Very high	86.1	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-96.6	-21.2	172.6	-64.8	178.6	0	0	0	112.4	G471 F472 F473 C543 I608 Y615 H616	G471-L618 CarbonylContact C-O 3.43Å; G471-L618 WeakPolarHBondContact CA-O 3.41Å; F472-L618 HydrophobicContact CD2-CB 4.13Å; F472-L618 HydrophobicContact CE2-CB 4.38Å; F472-L618 PolarHBondContact N-O 3.43Å; F473-L618 WeakPolarHBondContact CD1-O 3.43Å; C543-L618 HydrophobicContact CB-CD2 3.88Å; I608-L618 HydrophobicContact CD1-CD1 4.23Å; Y615-L618 HydrophobicContact CD1-CD1 4.04Å; Y615-L618 WeakPolarHBondContact O-CA 3.48Å; Y615-L618 WeakPolarHBondContact O-CB 3.46Å; Y615-L618 PolarHBondContact O-N 3.42Å; H616-L618 PolarHBondContact O-N 3.09Å
619	L	96.8	Very high	83.1	Confident	10 Å²	10	88.1 Å²	88.1	5%	0.052	43%	0.425	C	S	.	.	H	α-helix	trans	-95.9	-29.1	-176.1	-66	171.6	0	0	0	112.6	F603 A604 I608 M609 H612 Y615 H616	F603-L619 HydrophobicContact CD1-CD2 4.25Å; F603-L619 HydrophobicContact CE1-CD2 3.66Å; A604-L619 HydrophobicContact CB-CD2 3.74Å; I608-L619 HydrophobicContact CG2-CD1 4.15Å; I608-L619 HydrophobicContact CG2-CD2 3.65Å; I608-L619 HydrophobicContact CG2-CG 3.84Å; M609-L619 HydrophobicContact CG-CD2 4.29Å; H612-L619 HydrophobicContact CB-CD1 4.19Å; Y615-L619 PolarHBondContact O-N 3.22Å; H616-L619 PolarHBondContact O-N 3.45Å
620	E	94.6	Very high	80.1	Confident	106 Å²	106	97 Å²	97	50%	0.495	47%	0.466	S	S	.	.	S	Bend	trans	-132.2	143.6	-176.7	-65.2	175.4	-150.6	0	0	109.9	F473 H612 H616 P622	F473-E620 WeakPolarHBondContact CE1-O 3.4Å; H612-E620 IonicContact CD2-OE1 2.68Å; H612-E620 IonicContact CE1-OE1 2.69Å; H612-E620 PolarHBondContact CE1-OE1 2.85Å; H612-E620 IonicContact NE2-OE1 3.03Å; H612-E620 PolarHBondContact NE2-OE1 3.34Å; H616-E620 PolarHBondContact O-N 2.99Å; E620-P622 WeakPolarHBondContact O-CD 3.38Å
621	N	93.8	Very high	79.3	Confident	27 Å²	27	95.4 Å²	95.4	14%	0.144	46%	0.459	C	S	.	.			trans	-72.4	108	177	-175.7	-24.8	0	0	0	109.8	F473 W474 I580 R581 Y623 K624	F473-N621 HydrophobicContact CD2-CB 3.66Å; F473-N621 HydrophobicContact CE2-CB 3.55Å; F473-N621 HydrophobicContact CG-CB 4.23Å; F473-N621 HydrophobicContact CZ-CB 4.08Å; W474-N621 WeakPolarHBondContact CZ2-ND2 3.39Å; I580-N621 PolarHBondContact O-ND2 3.06Å; R581-N621 PolarHBondContact O-ND2 3.2Å; R581-N621 VanDerWaalsContact O-ND2 3.09Å; N621-Y623 PolarHBondContact O-N 3.49Å; N621-Y623 VanDerWaalsContact O-N 3.16Å; N621-Y623 PolarHBondContact OD1-N 2.74Å; N621-K624 HydrophobicContact CB-CB 4.3Å; N621-K624 PolarHBondContact O-N 3.47Å; N621-K624 PolarHBondContact OD1-N 3.17Å
622	P	91.4	Very high	78.4	Confident	50 Å²	50	97.3 Å²	97.3	33%	0.325	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.3	-171.8	31.7	-32.6	0	0	0	112.9	E620	E620-P622 WeakPolarHBondContact O-CD 3.38Å
623	Y	91	Very high	77.4	Confident	35 Å²	35	98.1 Å²	98.1	14%	0.137	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-1.8	-176	-55.8	-66.1	0	0	0	113.6	P546 R577 I580 R581 N621 N625 K626	P546-Y623 WeakPolarHBondContact CD-OH 2.96Å; P546-Y623 HydrophobicContact CG-CE2 4.29Å; P546-Y623 WeakPolarHBondContact CG-OH 3.08Å; R577-Y623 HydrophobicContact CB-CD1 4.29Å; R577-Y623 HydrophobicContact CB-CE1 4.22Å; R577-Y623 HydrophobicContact CB-CE2 4.46Å; R577-Y623 HydrophobicContact CB-CG 4.47Å; R577-Y623 HydrophobicContact CG-CD1 4.28Å; R577-Y623 HydrophobicContact CG-CE1 3.72Å; R577-Y623 HydrophobicContact CG-CE2 4.18Å; I580-Y623 HydrophobicContact CB-CD2 3.88Å; I580-Y623 HydrophobicContact CB-CE2 4.12Å; I580-Y623 HydrophobicContact CD1-CD2 4.48Å; I580-Y623 HydrophobicContact CD1-CE2 3.85Å; I580-Y623 HydrophobicContact CG2-CD2 3.67Å; I580-Y623 HydrophobicContact CG2-CE2 3.93Å; R581-Y623 WeakPolarHBondContact CD-O 3.22Å; R581-Y623 WeakPolarHBondContact CG-O 3.35Å; N621-Y623 PolarHBondContact O-N 3.49Å; N621-Y623 VanDerWaalsContact O-N 3.16Å; N621-Y623 PolarHBondContact OD1-N 2.74Å; Y623-N625 VanDerWaalsContact C-N 3.25Å; Y623-N625 PolarHBondContact O-N 2.63Å; Y623-N625 VanDerWaalsContact O-N 3.17Å; Y623-K626 HydrophobicContact CD1-CD 4.37Å; Y623-K626 PolarHBondContact O-N 3.36Å
624	K	83.6	Confident	76.4	Confident	142 Å²	142	92.6 Å²	92.6	62%	0.617	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.5	-175.3	-169.6	176.3	-179.7	179.7	0	114.1	N621	N621-K624 HydrophobicContact CB-CB 4.3Å; N621-K624 PolarHBondContact O-N 3.47Å; N621-K624 PolarHBondContact OD1-N 3.17Å
625	N	66.7	Low	75.3	Confident	146 Å²	146	95.2 Å²	95.2	78%	0.781	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	5.2	-170.5	-63	-18.6	0	0	0	114.7	Y623 V627	Y623-N625 VanDerWaalsContact C-N 3.25Å; Y623-N625 PolarHBondContact O-N 2.63Å; Y623-N625 VanDerWaalsContact O-N 3.17Å; N625-V627 PolarHBondContact O-N 2.98Å
626	K	55.9	Low	73.9	Confident	159 Å²	159	101.5 Å²	101.5	69%	0.691	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	43.8	-176.9	-74.6	-164.4	177.6	-174.3	0	114.3	Y623	Y623-K626 HydrophobicContact CD1-CD 4.37Å; Y623-K626 PolarHBondContact O-N 3.36Å
627	V	44.1	Very low	72.3	Confident	114 Å²	114	102.3 Å²	102.3	69%	0.691	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	10.5	176.1	-173.5	0	0	0	0	112.3	N625	N625-V627 PolarHBondContact O-N 2.98Å
628	Q	34.4	Very low	70.6	Confident	174 Å²	174	107.9 Å²	107.9	81%	0.813	53%	0.532	S	S	*	.	S	Bend	trans	-133.4	74.4	176.3	-73.1	-175.2	-12	0	0	110.7
629	N	34.8	Very low	68.4	Low	169 Å²	169	116.9 Å²	116.9	90%	0.904	58%	0.576	S	S	*	*			trans	169.7	72.2	149.4	-82.3	-16.2	0	0	0	108.4
630	E	33.2	Very low	65.8	Low	271 Å²	271	126.6 Å²	126.6	100%	1.266	62%	0.624	S	S	*	*			trans	-125.2	0	150.4	-80.4	-172.1	168.8	0	0	108

Retrieved 630 of 630 residues in 1476.5 ms (Link to these results)

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