A0A093HQS2_STRCA Loading...

Pigment epithelium-derived factor

AlphaFold DB , UniProt , Accession A0A093HQS2, Species STRCA (Struthio camelus australis), Gene n/a, Length 417 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	Very low	34.5	Very low	248 Å²	248	118.4 Å²	118.4	100%	1.222	66%	0.657	S	S	*	*				0	105.8	0	-143.7	166.5	77.3	0	0	106.5
2	Q	34.1	Very low	34.1	Very low	190 Å²	190	120.8 Å²	120.8	89%	0.888	67%	0.666	S	S	*	*			trans	-78.3	129	-169.7	-73.7	173.3	-43.9	0	0	110.5
3	I	27.8	Very low	33.8	Very low	153 Å²	153	124.4 Å²	124.4	79%	0.785	68%	0.683	S	S	*	*			trans	-114.9	97.3	153.9	-60.2	168.4	0	0	0	105	V5	I3-V5 HydrophobicContact CG2-CG2 4.36Å; I3-V5 PolarHBondContact O-N 3.2Å
4	P	37.9	Very low	33.5	Very low	96 Å²	96	123.8 Å²	123.8	62%	0.623	68%	0.684	S	S	*	*			trans	-71.8	121.1	158	29.4	-25	0	0	0	106.7	V6	P4-V6 HydrophobicContact CB-CG2 4.42Å; P4-V6 HydrophobicContact CG-CG2 4.47Å; P4-V6 PolarHBondContact O-N 3.13Å; P4-V6 VanDerWaalsContact O-N 3.1Å
5	V	43.8	Very low	33.2	Very low	113 Å²	113	123.4 Å²	123.4	69%	0.685	69%	0.686	S	S	*	*			trans	-75.4	99.5	168.6	177.4	0	0	0	0	106.1	I3	I3-V5 HydrophobicContact CG2-CG2 4.36Å; I3-V5 PolarHBondContact O-N 3.2Å
6	V	32.3	Very low	33	Very low	78 Å²	78	122.8 Å²	122.8	47%	0.473	69%	0.69	S	S	.	*			trans	-83.9	118.8	175.3	173	0	0	0	0	107.1	P4 L8	P4-V6 HydrophobicContact CB-CG2 4.42Å; P4-V6 HydrophobicContact CG-CG2 4.47Å; P4-V6 PolarHBondContact O-N 3.13Å; P4-V6 VanDerWaalsContact O-N 3.1Å; V6-L8 HydrophobicContact CG1-CD1 4.21Å; V6-L8 HydrophobicContact CG1-CG 4.3Å
7	L	40.7	Very low	32.6	Very low	33 Å²	33	122.2 Å²	122.2	17%	0.173	70%	0.696	C	S	.	*	B	Isolated β-bridge	trans	-80.4	122.7	160	-67.9	173.8	0	0	0	106.6	F9 S256 E303	L7-F9 HydrophobicContact CB-CE2 4.2Å; L7-S256 PolarHBondContact O-OG 2.98Å; L7-E303 HydrophobicContact CD2-CB 4.22Å; L7-E303 WeakPolarHBondContact CD2-OE2 3.44Å
8	L	29.6	Very low	32.2	Very low	126 Å²	126	129.3 Å²	129.3	66%	0.66	71%	0.709	S	S	*	*			trans	-111.9	104.1	-177.2	-130.3	151.9	0	0	0	106.2	V6 L10	V6-L8 HydrophobicContact CG1-CD1 4.21Å; V6-L8 HydrophobicContact CG1-CG 4.3Å; L8-L10 PolarHBondContact O-N 3.07Å
9	F	39.7	Very low	31.9	Very low	44 Å²	44	128.6 Å²	128.6	19%	0.193	72%	0.715	C	S	.	*			trans	-89.8	93.8	-178.6	-79.3	-77	0	0	0	108.8	L7 G11 D255 E257 F296 D299 V300	L7-F9 HydrophobicContact CB-CE2 4.2Å; F9-G11 VanDerWaalsContact C-N 3.32Å; F9-G11 PolarHBondContact O-N 3.25Å; F9-G11 VanDerWaalsContact O-N 3.07Å; F9-D255 WeakPolarHBondContact CE2-OD2 3.28Å; F9-E257 PolarHBondContact N-OE1 2.84Å; F9-F296 HydrophobicContact CE1-CD2 4.31Å; F9-F296 HydrophobicContact CE1-CE2 4.19Å; F9-F296 HydrophobicContact CE2-CE2 4.2Å; F9-F296 HydrophobicContact CZ-CD2 4.49Å; F9-F296 AromaticContact CZ-CE2 3.95Å; F9-F296 HydrophobicContact CZ-CE2 3.95Å; F9-D299 HydrophobicContact CE1-CB 4.39Å; F9-V300 HydrophobicContact CZ-CG2 4.26Å
10	L	30.7	Very low	31.9	Very low	148 Å²	148	131 Å²	131	78%	0.775	72%	0.72	S	S	*	*			trans	-81.6	79.7	169.9	-97.9	151.2	0	0	0	110.1	L8 L12	L8-L10 PolarHBondContact O-N 3.07Å; L10-L12 PolarHBondContact O-N 3.01Å
11	G	30.7	Very low	31.7	Very low	73 Å²	73	132 Å²	132	75%	0.753	72%	0.724	S	S	*	*			trans	-87.4	92.3	168.9	0	0	0	0	0	111.8	F9 L13	F9-G11 VanDerWaalsContact C-N 3.32Å; F9-G11 PolarHBondContact O-N 3.25Å; F9-G11 VanDerWaalsContact O-N 3.07Å; G11-L13 PolarHBondContact O-N 3.2Å
12	L	30.2	Very low	31.6	Very low	147 Å²	147	125 Å²	125	77%	0.77	70%	0.7	S	S	*	*			trans	-84.3	90.6	170.3	-90.8	162.4	0	0	0	110.5	L10 V14	L10-L12 PolarHBondContact O-N 3.01Å; L12-V14 HydrophobicContact CD2-CG2 4.36Å; L12-V14 PolarHBondContact O-N 2.62Å
13	L	29.8	Very low	31.3	Very low	168 Å²	168	120.8 Å²	120.8	88%	0.88	70%	0.698	S	S	*	*			trans	-82.3	93.7	163.3	-85	163.8	0	0	0	109.6	G11	G11-L13 PolarHBondContact O-N 3.2Å
14	V	29.4	Very low	31.3	Very low	116 Å²	116	118.5 Å²	118.5	70%	0.703	70%	0.702	S	S	*	*			trans	-94.4	110.2	167.4	-179.3	0	0	0	0	109.3	L12	L12-V14 HydrophobicContact CD2-CG2 4.36Å; L12-V14 PolarHBondContact O-N 2.62Å
15	V	29.1	Very low	30.8	Very low	118 Å²	118	117.3 Å²	117.3	72%	0.715	71%	0.707	S	S	*	*			trans	-90.8	114	165.4	179.3	0	0	0	0	107.9	S17	V15-S17 PolarHBondContact O-N 2.79Å
16	P	30.5	Very low	30.1	Very low	114 Å²	114	121.5 Å²	121.5	74%	0.74	72%	0.719	S	S	*	*			trans	-79.6	109.7	174.8	18.6	-10.4	0	0	0	110.1
17	S	25.9	Very low	29.9	Very low	113 Å²	113	125.8 Å²	125.8	79%	0.79	74%	0.74	S	S	*	*			trans	-72.7	117.5	164.9	-54.1	0	0	0	0	108.8	V15	V15-S17 PolarHBondContact O-N 2.79Å
18	R	25.5	Very low	29.3	Very low	249 Å²	249	129.4 Å²	129.4	94%	0.94	77%	0.768	S	S	*	*			trans	-94.5	107.4	179.6	-149.8	-179.6	-168.1	-175.3	4.3	109.5
19	S	26.5	Very low	29.4	Very low	116 Å²	116	128.4 Å²	128.4	81%	0.811	78%	0.777	S	S	*	*			trans	-118.8	121.6	164.2	58	0	0	0	0	110
20	Q	32.4	Very low	28.9	Very low	177 Å²	177	132.4 Å²	132.4	83%	0.827	81%	0.805	S	S	*	*			trans	-75.7	135.7	171	-75.4	174.6	-33.8	0	0	110.8
21	N	27.6	Very low	28.9	Very low	151 Å²	151	130 Å²	130	81%	0.807	81%	0.807	S	S	*	*				-171.2	123.4	123.1	-101.5	-10.7	0	0	0	114.1
22	S	29	Very low	29.1	Very low	103 Å²	103	134.7 Å²	134.7	72%	0.72	82%	0.815	S	S	*	*			trans	30.2	118.3	142.6	61.1	0	0	0	0	124.2
23	A	28.3	Very low	29.1	Very low	101 Å²	101	130.9 Å²	130.9	84%	0.835	81%	0.811	S	S	*	*				85.8	119.3	116.5	0	0	0	0	0	122.8
24	A	28.8	Very low	29	Very low	104 Å²	104	126 Å²	126	86%	0.86	80%	0.801	S	S	*	*				116.1	101.8	127.8	0	0	0	0	0	118.7
25	G	25.9	Very low	29.3	Very low	72 Å²	72	127.9 Å²	127.9	74%	0.742	81%	0.807	S	S	*	*				84	107.8	127.6	0	0	0	0	0	120.3
26	Q	29	Very low	29.7	Very low	200 Å²	200	128 Å²	128	94%	0.935	81%	0.809	S	S	*	*				167.1	147.1	104.6	-90.4	-174.4	-6.9	0	0	112.5
27	N	27.7	Very low	30.1	Very low	169 Å²	169	125.6 Å²	125.6	90%	0.904	80%	0.804	S	S	*	*			trans	-62.1	138.1	-177.2	-75.8	-26.2	0	0	0	114.7
28	S	28.9	Very low	30.9	Very low	109 Å²	109	129 Å²	129	76%	0.762	81%	0.807	S	S	*	*			trans	-156.7	119.9	136.6	57.8	0	0	0	0	110.1
29	A	32.5	Very low	31.9	Very low	104 Å²	104	121.5 Å²	121.5	86%	0.86	80%	0.799	S	S	*	*			trans	-69.5	124.6	176.2	0	0	0	0	0	110.9
30	T	28.6	Very low	33.5	Very low	128 Å²	128	125.1 Å²	125.1	79%	0.785	80%	0.803	S	S	*	*			trans	-146.5	120.1	160.2	42.8	0	0	0	0	110.1
31	A	30.3	Very low	35.6	Very low	99 Å²	99	124.3 Å²	124.3	82%	0.818	80%	0.799	S	S	*	*			trans	42.2	105.5	149.6	0	0	0	0	0	118.2	G33	A31-G33 PolarHBondContact O-N 3.4Å
32	D	35.5	Very low	38.1	Very low	171 Å²	171	121.6 Å²	121.6	91%	0.914	78%	0.782	S	S	*	*			trans	-42.5	111.9	156.9	-157	8.3	0	0	0	111.5
33	G	30	Very low	41.1	Very low	67 Å²	67	118.5 Å²	118.5	69%	0.691	76%	0.757	S	S	*	*			trans	-138.1	78.2	173	0	0	0	0	0	106.5	A31 N35	A31-G33 PolarHBondContact O-N 3.4Å; G33-N35 VanDerWaalsContact C-N 3.27Å; G33-N35 PolarHBondContact O-N 2.92Å
34	G	28.5	Very low	44.3	Very low	65 Å²	65	118.3 Å²	118.3	67%	0.67	75%	0.748	S	S	*	*			trans	-59.3	89	175.9	0	0	0	0	0	110.5	T36	G34-T36 PolarHBondContact O-N 3.2Å
35	N	34.5	Very low	47.4	Very low	155 Å²	155	115.4 Å²	115.4	83%	0.829	72%	0.715	S	S	*	*			trans	-76.6	78.3	161.5	-160.9	41.6	0	0	0	106.4	G33 G37	G33-N35 VanDerWaalsContact C-N 3.27Å; G33-N35 PolarHBondContact O-N 2.92Å; N35-G37 PolarHBondContact O-N 2.9Å
36	T	38.2	Very low	50.7	Low	122 Å²	122	113.2 Å²	113.2	75%	0.748	69%	0.685	S	S	*	*			trans	-62.2	96.2	159.9	45.8	0	0	0	0	105.6	G34 E38	G34-T36 PolarHBondContact O-N 3.2Å; T36-E38 PolarHBondContact O-N 3.14Å
37	G	39	Very low	53.7	Low	62 Å²	62	108.7 Å²	108.7	64%	0.639	66%	0.662	S	S	*	*			trans	-53.1	112.4	164.5	0	0	0	0	0	106.4	N35 A39	N35-G37 PolarHBondContact O-N 2.9Å; G37-A39 PolarHBondContact O-N 3.01Å
38	E	41.9	Very low	56.9	Low	184 Å²	184	102.7 Å²	102.7	86%	0.86	63%	0.634	S	S	*	*			trans	-54.1	108.5	168.9	-71.5	178.6	159.7	0	0	105.4	T36 E40	T36-E38 PolarHBondContact O-N 3.14Å; E38-E40 PolarHBondContact O-N 3.18Å
39	A	47.7	Very low	60.1	Low	92 Å²	92	101.2 Å²	101.2	76%	0.76	62%	0.621	S	S	*	*			trans	-60.5	108.7	168.4	0	0	0	0	0	105	G37 E41	G37-A39 PolarHBondContact O-N 3.01Å; A39-E41 PolarHBondContact O-N 3.2Å
40	E	59.9	Low	63.2	Low	192 Å²	192	97.6 Å²	97.6	90%	0.897	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-48	116.1	176.3	-70.6	179.8	173.6	0	0	107.7	E38 E42	E38-E40 PolarHBondContact O-N 3.18Å; E40-E42 PolarHBondContact O-N 3.13Å
41	E	75	Confident	66.5	Low	160 Å²	160	92.3 Å²	92.3	75%	0.748	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-62.7	126.8	-176.9	-123.1	-159.7	128.1	0	0	108.4	A39 D43 K47	A39-E41 PolarHBondContact O-N 3.2Å; E41-D43 PolarHBondContact O-N 2.7Å; E41-K47 IonicContact OE1-NZ 2.97Å; E41-K47 PolarHBondContact OE1-NZ 2.85Å
42	E	81.7	Confident	69.7	Low	95 Å²	95	90.6 Å²	90.6	44%	0.444	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-53.8	129.4	177.2	-177	176.1	-143.8	0	0	110	E40 K47 K52	E40-E42 PolarHBondContact O-N 3.13Å; E42-K47 WeakPolarHBondContact O-CE 3.35Å; E42-K52 WeakPolarHBondContact OE1-CE 3.23Å; E42-K52 IonicContact OE1-NZ 2.84Å; E42-K52 PolarHBondContact OE1-NZ 2.8Å; E42-K52 WeakPolarHBondContact OE2-CE 3.46Å; E42-K52 IonicContact OE2-NZ 2.86Å; E42-K52 PolarHBondContact OE2-NZ 2.88Å
43	D	92.2	Very high	72.6	Confident	38 Å²	38	82.5 Å²	82.5	20%	0.203	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-51.4	130.8	-177	-171	-64.1	0	0	0	110.7	E41 F45 Y46 K47 H298 K302	E41-D43 PolarHBondContact O-N 2.7Å; D43-F45 PolarHBondContact O-N 3.36Å; D43-F45 WeakPolarHBondContact OD1-CB 3.44Å; D43-F45 PolarHBondContact OD1-N 2.96Å; D43-Y46 HydrophobicContact CB-CD2 4.06Å; D43-Y46 PolarHBondContact O-N 3.04Å; D43-K47 PolarHBondContact O-N 3.4Å; D43-H298 IonicContact OD1-NE2 3.99Å; D43-H298 PolarHBondContact OD1-NE2 3.38Å; D43-H298 IonicContact OD2-NE2 3.62Å; D43-K302 IonicContact OD2-NZ 3.3Å; D43-K302 PolarHBondContact OD2-NZ 2.97Å
44	P	94	Very high	75.9	Confident	97 Å²	97	79.3 Å²	79.3	63%	0.63	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-30.9	-179.8	-28	34.9	0	0	0	114.5	Y46 K47	P44-Y46 VanDerWaalsContact C-N 3.29Å; P44-Y46 PolarHBondContact O-N 3.16Å; P44-K47 PolarHBondContact O-N 3.35Å
45	F	94.9	Very high	79.2	Confident	42 Å²	42	76.5 Å²	76.5	18%	0.184	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-39.1	176.6	-174.4	-100.1	0	0	0	112.1	D43 N51 H298	D43-F45 PolarHBondContact O-N 3.36Å; D43-F45 WeakPolarHBondContact OD1-CB 3.44Å; D43-F45 PolarHBondContact OD1-N 2.96Å; F45-N51 HydrophobicContact CD1-CB 4.43Å; F45-N51 HydrophobicContact CE1-CB 4.16Å; F45-N51 HydrophobicContact CZ-CB 4.49Å; F45-N51 WeakPolarHBondContact O-CB 3.21Å; F45-N51 PolarHBondContact O-ND2 3.15Å; F45-H298 WeakPolarHBondContact CB-NE2 3.14Å; F45-H298 AromaticContact CD1-CE1 3.88Å; F45-H298 AromaticContact CG-CE1 3.59Å; F45-H298 AromaticContact CG-NE2 3.81Å
46	Y	94.4	Very high	82.2	Confident	26 Å²	26	69.4 Å²	69.4	10%	0.102	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-8.5	178.3	-64	-59.2	0	0	0	112.8	D43 P44 S48 K52 A55 S294 E295 H298	D43-Y46 HydrophobicContact CB-CD2 4.06Å; D43-Y46 PolarHBondContact O-N 3.04Å; P44-Y46 VanDerWaalsContact C-N 3.29Å; P44-Y46 PolarHBondContact O-N 3.16Å; Y46-S48 PolarHBondContact O-N 3.28Å; Y46-S48 VanDerWaalsContact O-N 3.1Å; Y46-K52 WeakPolarHBondContact O-CD 3.43Å; Y46-K52 WeakPolarHBondContact O-CE 3.44Å; Y46-K52 WeakPolarHBondContact O-CG 3.43Å; Y46-A55 HydrophobicContact CD1-CB 4.22Å; Y46-A55 HydrophobicContact CE1-CB 3.69Å; Y46-S294 PolarHBondContact OH-O 2.99Å; Y46-S294 VanDerWaalsContact OH-O 3.06Å; Y46-E295 HydrophobicContact CE2-CG 4.42Å; Y46-H298 HydrophobicContact CE2-CB 4.47Å; Y46-H298 AromaticContact CE2-CD2 3.67Å; Y46-H298 VanDerWaalsContact OH-CB 3.29Å; Y46-H298 WeakPolarHBondContact OH-CB 3.27Å
47	K	92.7	Very high	85.1	Confident	106 Å²	106	63.7 Å²	63.7	46%	0.461	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.7	172.4	-65.1	-176.3	-177.7	-178.7	0	113.1	E41 E42 D43 P44	E41-K47 IonicContact OE1-NZ 2.97Å; E41-K47 PolarHBondContact OE1-NZ 2.85Å; E42-K47 WeakPolarHBondContact O-CE 3.35Å; D43-K47 PolarHBondContact O-N 3.4Å; P44-K47 PolarHBondContact O-N 3.35Å
48	S	95	Very high	87.9	Confident	43 Å²	43	60.9 Å²	60.9	30%	0.301	32%	0.322	S	S	.	.	S	Bend	trans	-75	124.7	174.3	168.1	0	0	0	0	112.2	Y46 V50 N51 K52	Y46-S48 PolarHBondContact O-N 3.28Å; Y46-S48 VanDerWaalsContact O-N 3.1Å; S48-V50 VanDerWaalsContact C-N 3.26Å; S48-V50 PolarHBondContact O-N 2.84Å; S48-V50 PolarHBondContact OG-N 3.12Å; S48-N51 PolarHBondContact O-N 2.87Å; S48-N51 PolarHBondContact OG-N 2.98Å; S48-N51 PolarHBondContact OG-OD1 3.17Å; S48-K52 PolarHBondContact O-N 2.7Å
49	P	95.6	Very high	90.6	Very high	77 Å²	77	52.9 Å²	52.9	50%	0.5	29%	0.285	S	S	.	.	H	α-helix	trans	-57.1	-36.5	177.1	-26.4	34.6	0	0	0	113.8	N51 K52 L53 T120	P49-N51 VanDerWaalsContact C-N 3.32Å; P49-K52 PolarHBondContact O-N 3.41Å; P49-L53 WeakPolarHBondContact O-CB 3.34Å; P49-L53 PolarHBondContact O-N 2.68Å; P49-T120 HydrophobicContact CB-CG2 4.16Å
50	V	97.2	Very high	93	Very high	28 Å²	28	48.9 Å²	48.9	17%	0.17	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-38.3	177.1	174.6	0	0	0	0	110.8	S48 L53 A54 T120 D123 L124 T402	S48-V50 VanDerWaalsContact C-N 3.26Å; S48-V50 PolarHBondContact O-N 2.84Å; S48-V50 PolarHBondContact OG-N 3.12Å; V50-L53 PolarHBondContact O-N 2.87Å; V50-A54 VanDerWaalsContact O-CB 3.3Å; V50-A54 WeakPolarHBondContact O-CB 3.46Å; V50-A54 PolarHBondContact O-N 3.44Å; V50-T120 HydrophobicContact CB-CG2 4.36Å; V50-T120 HydrophobicContact CG2-CG2 3.81Å; V50-D123 HydrophobicContact CG2-CB 3.95Å; V50-L124 HydrophobicContact CG1-CB 4.17Å; V50-L124 HydrophobicContact CG1-CD1 3.91Å; V50-T402 HydrophobicContact CG1-CG2 3.91Å
51	N	97.6	Very high	94.8	Very high	18 Å²	18	39.7 Å²	39.7	10%	0.096	21%	0.208	C	C	.	.	H	α-helix	trans	-74.9	-38	-179.9	-63.7	9.9	0	0	0	111.2	F45 S48 P49 L53 A54 A55 T402	F45-N51 HydrophobicContact CD1-CB 4.43Å; F45-N51 HydrophobicContact CE1-CB 4.16Å; F45-N51 HydrophobicContact CZ-CB 4.49Å; F45-N51 WeakPolarHBondContact O-CB 3.21Å; F45-N51 PolarHBondContact O-ND2 3.15Å; S48-N51 PolarHBondContact O-N 2.87Å; S48-N51 PolarHBondContact OG-N 2.98Å; S48-N51 PolarHBondContact OG-OD1 3.17Å; P49-N51 VanDerWaalsContact C-N 3.32Å; N51-L53 VanDerWaalsContact C-N 3.34Å; N51-L53 PolarHBondContact O-N 2.74Å; N51-A54 WeakPolarHBondContact O-CB 3.27Å; N51-A54 PolarHBondContact O-N 3.1Å; N51-A55 WeakPolarHBondContact O-CB 3.35Å; N51-A55 PolarHBondContact O-N 3.38Å; N51-T402 WeakPolarHBondContact OD1-CA 3.2Å
52	K	97.1	Very high	96	Very high	62 Å²	62	32.1 Å²	32.1	27%	0.27	17%	0.172	S	C	.	.	H	α-helix	trans	-59.9	-44.8	170.6	-60.2	-162.1	-176.6	-163.9	0	111.5	E42 Y46 S48 P49 A55 A56 L112	E42-K52 WeakPolarHBondContact OE1-CE 3.23Å; E42-K52 IonicContact OE1-NZ 2.84Å; E42-K52 PolarHBondContact OE1-NZ 2.8Å; E42-K52 WeakPolarHBondContact OE2-CE 3.46Å; E42-K52 IonicContact OE2-NZ 2.86Å; E42-K52 PolarHBondContact OE2-NZ 2.88Å; Y46-K52 WeakPolarHBondContact O-CD 3.43Å; Y46-K52 WeakPolarHBondContact O-CE 3.44Å; Y46-K52 WeakPolarHBondContact O-CG 3.43Å; S48-K52 PolarHBondContact O-N 2.7Å; P49-K52 PolarHBondContact O-N 3.41Å; K52-A55 WeakPolarHBondContact O-CB 3.2Å; K52-A55 PolarHBondContact O-N 3.37Å; K52-A56 WeakPolarHBondContact O-CB 3.07Å; K52-A56 PolarHBondContact O-N 3.38Å; K52-L112 HydrophobicContact CB-CD2 3.55Å; K52-L112 HydrophobicContact CD-CD2 4.46Å
53	L	98.1	Very high	96.7	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-42.5	176.7	179.9	62.9	0	0	0	111.7	P49 V50 N51 A55 A56 V57 Y109 L112 V117 T120 Y121 L124	P49-L53 WeakPolarHBondContact O-CB 3.34Å; P49-L53 PolarHBondContact O-N 2.68Å; V50-L53 PolarHBondContact O-N 2.87Å; N51-L53 VanDerWaalsContact C-N 3.34Å; N51-L53 PolarHBondContact O-N 2.74Å; L53-A55 VanDerWaalsContact C-N 3.29Å; L53-A55 PolarHBondContact O-N 3.02Å; L53-A56 PolarHBondContact O-N 3.46Å; L53-V57 HydrophobicContact CD1-CG2 4.14Å; L53-V57 HydrophobicContact CG-CG2 4.46Å; L53-V57 WeakPolarHBondContact O-CB 3.09Å; L53-V57 WeakPolarHBondContact O-CG2 3.29Å; L53-V57 PolarHBondContact O-N 3.19Å; L53-Y109 HydrophobicContact CD1-CD1 4.09Å; L53-Y109 HydrophobicContact CD1-CE1 3.44Å; L53-Y109 VanDerWaalsContact CD1-CE1 3.44Å; L53-L112 HydrophobicContact CB-CD1 4.28Å; L53-L112 HydrophobicContact CD1-CD1 3.69Å; L53-V117 HydrophobicContact CD1-CG1 4.09Å; L53-T120 HydrophobicContact CB-CG2 4.1Å; L53-T120 HydrophobicContact CD2-CG2 3.76Å; L53-Y121 HydrophobicContact CD1-CD2 4.24Å; L53-Y121 VanDerWaalsContact CD2-CA 3.49Å; L53-Y121 HydrophobicContact CD2-CD2 3.89Å; L53-Y121 HydrophobicContact CD2-CG 4.12Å; L53-Y121 VanDerWaalsContact CD2-N 3.33Å; L53-Y121 HydrophobicContact CG-CD2 4.41Å; L53-L124 HydrophobicContact CD2-CB 4.48Å; L53-L124 HydrophobicContact CD2-CD2 4.13Å; L53-L124 HydrophobicContact CG-CD2 4Å
54	A	98.3	Very high	97	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-42.6	175.3	0	0	0	0	0	111.5	V50 N51 S58 L124 T402 T404	V50-A54 VanDerWaalsContact O-CB 3.3Å; V50-A54 WeakPolarHBondContact O-CB 3.46Å; V50-A54 PolarHBondContact O-N 3.44Å; N51-A54 WeakPolarHBondContact O-CB 3.27Å; N51-A54 PolarHBondContact O-N 3.1Å; A54-S58 WeakPolarHBondContact O-CB 3.36Å; A54-S58 PolarHBondContact O-N 2.97Å; A54-S58 PolarHBondContact O-OG 3.05Å; A54-L124 HydrophobicContact CB-CD1 3.81Å; A54-L124 HydrophobicContact CB-CD2 4.32Å; A54-T402 VanDerWaalsContact CB-O 3.25Å; A54-T402 WeakPolarHBondContact CB-O 3.46Å; A54-T404 WeakPolarHBondContact CB-OG1 3.35Å
55	A	98.4	Very high	97.2	Very high	6 Å²	6	24.2 Å²	24.2	5%	0.05	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-50.1	176.1	0	0	0	0	0	111.8	Y46 N51 K52 L53 V57 S58 N59 S294	Y46-A55 HydrophobicContact CD1-CB 4.22Å; Y46-A55 HydrophobicContact CE1-CB 3.69Å; N51-A55 WeakPolarHBondContact O-CB 3.35Å; N51-A55 PolarHBondContact O-N 3.38Å; K52-A55 WeakPolarHBondContact O-CB 3.2Å; K52-A55 PolarHBondContact O-N 3.37Å; L53-A55 VanDerWaalsContact C-N 3.29Å; L53-A55 PolarHBondContact O-N 3.02Å; A55-V57 PolarHBondContact O-N 3.42Å; A55-S58 PolarHBondContact O-N 2.65Å; A55-S58 VanDerWaalsContact O-N 3.13Å; A55-N59 WeakPolarHBondContact O-CB 3.36Å; A55-N59 PolarHBondContact O-N 2.91Å; A55-S294 WeakPolarHBondContact CA-OG 3.33Å; A55-S294 PolarHBondContact O-OG 2.83Å
56	A	98.2	Very high	97.4	Very high	6 Å²	6	24.5 Å²	24.5	5%	0.05	13%	0.128	C	C	.	.	H	α-helix	trans	-56.1	-48.6	178.2	0	0	0	0	0	112.5	K52 L53 S58 N59 F60 L107 F108 L112	K52-A56 WeakPolarHBondContact O-CB 3.07Å; K52-A56 PolarHBondContact O-N 3.38Å; L53-A56 PolarHBondContact O-N 3.46Å; A56-S58 VanDerWaalsContact C-N 3.33Å; A56-S58 PolarHBondContact O-N 3.26Å; A56-N59 PolarHBondContact O-N 2.87Å; A56-F60 PolarHBondContact O-N 3.41Å; A56-L107 CarbonylContact C-O 3.59Å; A56-L107 WeakPolarHBondContact CB-O 3.33Å; A56-F108 HydrophobicContact CB-CB 3.74Å; A56-L112 HydrophobicContact CB-CD1 3.94Å
57	V	97.5	Very high	97.5	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-65.6	-35.9	177.6	168	0	0	0	0	112.2	L53 A55 F60 G61 F82 A85 Y109 Y121	L53-V57 HydrophobicContact CD1-CG2 4.14Å; L53-V57 HydrophobicContact CG-CG2 4.46Å; L53-V57 WeakPolarHBondContact O-CB 3.09Å; L53-V57 WeakPolarHBondContact O-CG2 3.29Å; L53-V57 PolarHBondContact O-N 3.19Å; A55-V57 PolarHBondContact O-N 3.42Å; V57-F60 WeakPolarHBondContact O-CB 3.48Å; V57-G61 PolarHBondContact O-N 3.27Å; V57-F82 HydrophobicContact CG1-CD2 3.88Å; V57-F82 HydrophobicContact CG1-CE2 4.4Å; V57-A85 HydrophobicContact CG1-CB 3.55Å; V57-Y109 HydrophobicContact CG2-CE1 4.2Å; V57-Y121 HydrophobicContact CG2-CE2 3.67Å
58	S	98.6	Very high	97.7	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-73.3	-35.8	178.7	-61.8	0	0	0	0	112	A54 A55 A56 G61 Y62 S294 L405	A54-S58 WeakPolarHBondContact O-CB 3.36Å; A54-S58 PolarHBondContact O-N 2.97Å; A54-S58 PolarHBondContact O-OG 3.05Å; A55-S58 PolarHBondContact O-N 2.65Å; A55-S58 VanDerWaalsContact O-N 3.13Å; A56-S58 VanDerWaalsContact C-N 3.33Å; A56-S58 PolarHBondContact O-N 3.26Å; S58-G61 CarbonylContact O-C 3.57Å; S58-G61 WeakPolarHBondContact O-CA 3.43Å; S58-G61 PolarHBondContact O-N 3.33Å; S58-Y62 WeakPolarHBondContact O-CD2 3.41Å; S58-Y62 PolarHBondContact O-N 3.11Å; S58-S294 WeakPolarHBondContact CB-OG 3.44Å; S58-L405 WeakPolarHBondContact OG-CB 3.36Å; S58-L405 PolarHBondContact OG-N 3.27Å
59	N	98.5	Very high	97.8	Very high	15 Å²	15	19.8 Å²	19.8	8%	0.08	10%	0.104	C	C	.	.	H	α-helix	trans	-63	-40.1	172.8	-81.4	-26.1	0	0	0	112.2	A55 A56 G61 Y62 D63 F108 T293 S294 E295	A55-N59 WeakPolarHBondContact O-CB 3.36Å; A55-N59 PolarHBondContact O-N 2.91Å; A56-N59 PolarHBondContact O-N 2.87Å; N59-G61 PolarHBondContact O-N 3.12Å; N59-Y62 PolarHBondContact O-N 2.69Å; N59-D63 PolarHBondContact O-N 3.22Å; N59-F108 HydrophobicContact CB-CD1 4.47Å; N59-F108 HydrophobicContact CB-CD2 3.98Å; N59-F108 HydrophobicContact CB-CE1 4.37Å; N59-F108 HydrophobicContact CB-CE2 3.89Å; N59-F108 HydrophobicContact CB-CG 4.28Å; N59-F108 HydrophobicContact CB-CZ 4.09Å; N59-T293 WeakPolarHBondContact OD1-CA 3.26Å; N59-T293 WeakPolarHBondContact OD1-CB 3.29Å; N59-S294 PolarHBondContact OD1-N 2.87Å; N59-E295 PolarHBondContact ND2-OE1 2.75Å; N59-E295 PolarHBondContact ND2-OE2 2.66Å
60	F	98.2	Very high	97.8	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.035	11%	0.108	C	C	.	.	H	α-helix	trans	-56.9	-39.6	165.5	166.7	-97.6	0	0	0	112	A56 V57 D63 L64 A85 L88 A106 L107 F108 L333	A56-F60 PolarHBondContact O-N 3.41Å; V57-F60 WeakPolarHBondContact O-CB 3.48Å; F60-D63 PolarHBondContact O-N 3.44Å; F60-L64 HydrophobicContact CE1-CD2 4.22Å; F60-L64 HydrophobicContact CZ-CD2 4.28Å; F60-L64 WeakPolarHBondContact O-CB 3.41Å; F60-L64 PolarHBondContact O-N 3.21Å; F60-A85 HydrophobicContact CD1-CB 3.69Å; F60-A85 HydrophobicContact CE1-CB 3.91Å; F60-L88 HydrophobicContact CE2-CD2 4.11Å; F60-L88 HydrophobicContact CZ-CD2 4.09Å; F60-A106 WeakPolarHBondContact CB-O 3.37Å; F60-A106 WeakPolarHBondContact CD2-O 3.4Å; F60-L107 HydrophobicContact CB-CD2 4.13Å; F60-L107 HydrophobicContact CD1-CD2 3.98Å; F60-L107 HydrophobicContact CD2-CD2 4.13Å; F60-L107 HydrophobicContact CE1-CD2 4.45Å; F60-L107 HydrophobicContact CG-CD2 3.78Å; F60-F108 HydrophobicContact CB-CD2 4.41Å; F60-L333 HydrophobicContact CE2-CD1 4.06Å
61	G	98.3	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.3	-41.2	177.4	0	0	0	0	0	114.1	V57 S58 N59 Y65	V57-G61 PolarHBondContact O-N 3.27Å; S58-G61 CarbonylContact O-C 3.57Å; S58-G61 WeakPolarHBondContact O-CA 3.43Å; S58-G61 PolarHBondContact O-N 3.33Å; N59-G61 PolarHBondContact O-N 3.12Å; G61-Y65 VanDerWaalsContact O-CB 3.31Å; G61-Y65 WeakPolarHBondContact O-CB 3.46Å; G61-Y65 PolarHBondContact O-N 3.41Å
62	Y	98.7	Very high	97.5	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-66.6	-40.7	174.2	-64.4	-58.4	0	0	0	111.8	S58 N59 Y65 R66 L292 T293 V396 L405 I408	S58-Y62 WeakPolarHBondContact O-CD2 3.41Å; S58-Y62 PolarHBondContact O-N 3.11Å; N59-Y62 PolarHBondContact O-N 2.69Å; Y62-Y65 PolarHBondContact O-N 2.68Å; Y62-R66 PolarHBondContact O-N 3.27Å; Y62-L292 VanDerWaalsContact CB-O 3.31Å; Y62-L292 WeakPolarHBondContact CB-O 3.08Å; Y62-L292 HydrophobicContact CD1-CB 3.75Å; Y62-L292 HydrophobicContact CD1-CD1 4.41Å; Y62-L292 HydrophobicContact CE1-CB 4.14Å; Y62-L292 HydrophobicContact CG-CB 4.19Å; Y62-T293 VanDerWaalsContact CE2-C 3.45Å; Y62-V396 HydrophobicContact CE1-CG2 4.49Å; Y62-L405 HydrophobicContact CD1-CD2 3.78Å; Y62-L405 HydrophobicContact CD2-CD2 4.5Å; Y62-L405 HydrophobicContact CE1-CD1 3.89Å; Y62-L405 HydrophobicContact CE1-CD2 3.61Å; Y62-L405 HydrophobicContact CE1-CG 4.3Å; Y62-L405 HydrophobicContact CE2-CD2 4.35Å; Y62-L405 HydrophobicContact CG-CD2 4.22Å; Y62-I408 HydrophobicContact CD1-CD1 3.74Å; Y62-I408 HydrophobicContact CE1-CD1 3.95Å
63	D	98.1	Very high	97.2	Very high	61 Å²	61	24.9 Å²	24.9	33%	0.326	14%	0.138	S	C	.	.	H	α-helix	trans	-60.6	-47.1	174.2	-81.2	-11.7	0	0	0	112	N59 F60 Y65 R66 Q67 F108	N59-D63 PolarHBondContact O-N 3.22Å; F60-D63 PolarHBondContact O-N 3.44Å; D63-Y65 VanDerWaalsContact C-N 3.31Å; D63-Y65 PolarHBondContact O-N 3.16Å; D63-R66 PolarHBondContact O-N 3.18Å; D63-R66 IonicContact OD1-CZ 3.9Å; D63-R66 IonicContact OD1-NE 2.87Å; D63-R66 IonicContact OD1-NH2 3.38Å; D63-R66 PolarHBondContact OD1-NH2 2.86Å; D63-Q67 WeakPolarHBondContact O-CG 3.37Å; D63-Q67 PolarHBondContact O-N 3.34Å; D63-Q67 VanDerWaalsContact O-N 3.09Å; D63-F108 WeakPolarHBondContact OD2-CE2 3.39Å; D63-F108 WeakPolarHBondContact OD2-CZ 3.49Å
64	L	98	Very high	96.9	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-61.8	-41.8	177	178.4	60.8	0	0	0	111.5	F60 Q67 Q68 L79 L84 L324 T327 L328	F60-L64 HydrophobicContact CE1-CD2 4.22Å; F60-L64 HydrophobicContact CZ-CD2 4.28Å; F60-L64 WeakPolarHBondContact O-CB 3.41Å; F60-L64 PolarHBondContact O-N 3.21Å; L64-Q67 PolarHBondContact O-N 3.08Å; L64-Q68 PolarHBondContact O-N 3.47Å; L64-L79 HydrophobicContact CG-CD1 4.15Å; L64-L84 HydrophobicContact CD2-CD1 3.77Å; L64-L324 HydrophobicContact CD2-CD1 4.24Å; L64-T327 HydrophobicContact CD1-CG2 3.93Å; L64-L328 HydrophobicContact CD1-CD1 3.48Å; L64-L328 VanDerWaalsContact CD1-CD1 3.48Å; L64-L328 HydrophobicContact CD1-CG 4.42Å
65	Y	98.3	Very high	96.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-47.4	176.4	164	-97.8	0	0	0	112.4	G61 Y62 D63 Q67 Q68 S69 V77 E289 L292 L394 I408 K410	G61-Y65 VanDerWaalsContact O-CB 3.31Å; G61-Y65 WeakPolarHBondContact O-CB 3.46Å; G61-Y65 PolarHBondContact O-N 3.41Å; Y62-Y65 PolarHBondContact O-N 2.68Å; D63-Y65 VanDerWaalsContact C-N 3.31Å; D63-Y65 PolarHBondContact O-N 3.16Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.02Å; Y65-Q68 PolarHBondContact O-N 2.92Å; Y65-Q68 VanDerWaalsContact O-N 3.14Å; Y65-S69 WeakPolarHBondContact O-CB 3.31Å; Y65-S69 PolarHBondContact O-N 2.91Å; Y65-V77 HydrophobicContact CD2-CG1 4.1Å; Y65-V77 HydrophobicContact CE2-CB 4.42Å; Y65-V77 HydrophobicContact CE2-CG1 4.13Å; Y65-E289 HydrophobicContact CE1-CB 4.32Å; Y65-E289 HydrophobicContact CE1-CG 3.96Å; Y65-E289 PolarHBondContact OH-OE1 3.32Å; Y65-L292 HydrophobicContact CE1-CD1 4.19Å; Y65-L394 WeakPolarHBondContact OH-CD2 3.48Å; Y65-I408 HydrophobicContact CD1-CD1 3.38Å; Y65-I408 HydrophobicContact CD1-CG1 4.14Å; Y65-I408 HydrophobicContact CD2-CB 4.39Å; Y65-I408 HydrophobicContact CD2-CD1 3.96Å; Y65-I408 HydrophobicContact CD2-CG1 3.81Å; Y65-I408 HydrophobicContact CD2-CG2 3.76Å; Y65-I408 HydrophobicContact CE1-CD1 3.64Å; Y65-I408 HydrophobicContact CE1-CG1 4.21Å; Y65-I408 HydrophobicContact CE2-CD1 4.19Å; Y65-I408 HydrophobicContact CE2-CG1 3.89Å; Y65-I408 HydrophobicContact CG-CD1 3.53Å; Y65-I408 HydrophobicContact CG-CG1 3.92Å; Y65-I408 HydrophobicContact CG-CG2 3.88Å; Y65-K410 HydrophobicContact CE2-CB 4.33Å
66	R	97.9	Very high	96.7	Very high	49 Å²	49	33.4 Å²	33.4	19%	0.185	19%	0.193	C	C	.	.	H	α-helix	trans	-56.6	-46.6	176.8	-81.7	-176.2	-77.7	-86.5	2.9	111.6	Y62 D63 Q68 S69 S70 E289 L292	Y62-R66 PolarHBondContact O-N 3.27Å; D63-R66 PolarHBondContact O-N 3.18Å; D63-R66 IonicContact OD1-CZ 3.9Å; D63-R66 IonicContact OD1-NE 2.87Å; D63-R66 IonicContact OD1-NH2 3.38Å; D63-R66 PolarHBondContact OD1-NH2 2.86Å; R66-Q68 VanDerWaalsContact C-N 3.35Å; R66-Q68 PolarHBondContact O-N 2.82Å; R66-S69 PolarHBondContact O-N 2.99Å; R66-S70 PolarHBondContact O-N 2.82Å; R66-S70 PolarHBondContact O-OG 2.99Å; R66-E289 WeakPolarHBondContact CD-O 3.47Å; R66-E289 WeakPolarHBondContact CG-O 3.4Å; R66-E289 PolarHBondContact NH1-O 2.99Å; R66-L292 PolarHBondContact NH1-O 3Å
67	Q	97.4	Very high	96.7	Very high	69 Å²	69	33.1 Å²	33.1	32%	0.322	19%	0.191	S	C	.	.	H	α-helix	trans	-64.6	-37.6	177.6	-68.5	-61.6	-13.2	0	0	112.6	D63 L64 Y65 S70 R71 T327 T331	D63-Q67 WeakPolarHBondContact O-CG 3.37Å; D63-Q67 PolarHBondContact O-N 3.34Å; D63-Q67 VanDerWaalsContact O-N 3.09Å; L64-Q67 PolarHBondContact O-N 3.08Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.02Å; Q67-S70 PolarHBondContact O-OG 3.32Å; Q67-R71 WeakPolarHBondContact O-CD 3.38Å; Q67-R71 WeakPolarHBondContact O-CG 3.49Å; Q67-T327 HydrophobicContact CB-CG2 3.69Å; Q67-T331 HydrophobicContact CG-CG2 4.25Å
68	Q	97.6	Very high	96.7	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.023	19%	0.191	C	C	.	.	H	α-helix	trans	-71	-39.8	175.3	-174.4	57.3	35.2	0	0	112	L64 Y65 R66 R71 T72 V77 L79 Y320 L324 T327	L64-Q68 PolarHBondContact O-N 3.47Å; Y65-Q68 PolarHBondContact O-N 2.92Å; Y65-Q68 VanDerWaalsContact O-N 3.14Å; R66-Q68 VanDerWaalsContact C-N 3.35Å; R66-Q68 PolarHBondContact O-N 2.82Å; Q68-R71 PolarHBondContact O-N 2.91Å; Q68-T72 PolarHBondContact NE2-OG1 2.69Å; Q68-T72 VanDerWaalsContact NE2-OG1 3.12Å; Q68-T72 PolarHBondContact O-N 3.15Å; Q68-T72 VanDerWaalsContact O-N 3.11Å; Q68-T72 PolarHBondContact O-OG1 2.64Å; Q68-V77 HydrophobicContact CB-CG1 4.34Å; Q68-V77 HydrophobicContact CG-CG1 3.87Å; Q68-L79 HydrophobicContact CB-CD1 4.22Å; Q68-Y320 WeakPolarHBondContact CG-OH 3.4Å; Q68-Y320 PolarHBondContact NE2-OH 3.44Å; Q68-L324 HydrophobicContact CG-CD2 4.19Å; Q68-T327 HydrophobicContact CB-CG2 4.11Å; Q68-T327 PolarHBondContact OE1-OG1 2.92Å
69	S	96.9	Very high	96.7	Very high	2 Å²	2	33 Å²	33	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-40.5	-178.4	-167.1	0	0	0	0	112.2	Y65 R66 R71 T72 E289 K410	Y65-S69 WeakPolarHBondContact O-CB 3.31Å; Y65-S69 PolarHBondContact O-N 2.91Å; R66-S69 PolarHBondContact O-N 2.99Å; S69-R71 VanDerWaalsContact C-N 3.26Å; S69-R71 PolarHBondContact O-N 2.91Å; S69-T72 CarbonylContact O-C 3.57Å; S69-T72 PolarHBondContact O-N 3.43Å; S69-E289 VanDerWaalsContact CB-OE1 3.27Å; S69-E289 WeakPolarHBondContact CB-OE1 3.48Å; S69-E289 PolarHBondContact OG-OE1 2.91Å; S69-K410 PolarHBondContact O-NZ 3.46Å; S69-K410 VanDerWaalsContact OG-CE 3.31Å; S69-K410 WeakPolarHBondContact OG-CE 3.48Å; S69-K410 PolarHBondContact OG-NZ 3.3Å
70	S	95.6	Very high	96.6	Very high	83 Å²	83	32.2 Å²	32.2	58%	0.58	19%	0.186	S	C	*	.	H	α-helix	trans	-63.1	-32.9	175.8	68.9	0	0	0	0	112.4	R66 Q67 T72	R66-S70 PolarHBondContact O-N 2.82Å; R66-S70 PolarHBondContact O-OG 2.99Å; Q67-S70 PolarHBondContact O-OG 3.32Å; S70-T72 VanDerWaalsContact C-N 3.33Å
71	R	94.5	Very high	96.5	Very high	110 Å²	110	31.9 Å²	31.9	42%	0.415	18%	0.184	S	C	.	.	H	α-helix	trans	-77.8	-17.6	175.1	-63.9	174.5	70	73.9	6.6	113.4	Q67 Q68 S69 E330	Q67-R71 WeakPolarHBondContact O-CD 3.38Å; Q67-R71 WeakPolarHBondContact O-CG 3.49Å; Q68-R71 PolarHBondContact O-N 2.91Å; S69-R71 VanDerWaalsContact C-N 3.26Å; S69-R71 PolarHBondContact O-N 2.91Å; R71-E330 IonicContact CZ-OE1 2.76Å; R71-E330 IonicContact CZ-OE2 2.72Å; R71-E330 IonicContact NH1-OE1 3.3Å; R71-E330 PolarHBondContact NH1-OE1 3.03Å; R71-E330 IonicContact NH1-OE2 2.78Å; R71-E330 PolarHBondContact NH1-OE2 2.88Å
72	T	92.8	Very high	96.5	Very high	31 Å²	31	32 Å²	32	19%	0.19	19%	0.185	C	C	.	.			trans	-125.2	70.5	-175.8	-53.7	0	0	0	0	109.6	Q68 S69 S70 T74 A75 V77 K410	Q68-T72 PolarHBondContact NE2-OG1 2.69Å; Q68-T72 VanDerWaalsContact NE2-OG1 3.12Å; Q68-T72 PolarHBondContact O-N 3.15Å; Q68-T72 VanDerWaalsContact O-N 3.11Å; Q68-T72 PolarHBondContact O-OG1 2.64Å; S69-T72 CarbonylContact O-C 3.57Å; S69-T72 PolarHBondContact O-N 3.43Å; S70-T72 VanDerWaalsContact C-N 3.33Å; T72-T74 PolarHBondContact O-N 2.9Å; T72-A75 HydrophobicContact CG2-CB 3.74Å; T72-V77 HydrophobicContact CG2-CG2 3.84Å; T72-K410 PolarHBondContact O-NZ 2.74Å
73	A	90.9	Very high	96.4	Very high	68 Å²	68	32 Å²	32	56%	0.562	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-37.7	-173.5	0	0	0	0	0	113.9	L412	A73-L412 WeakPolarHBondContact O-CD1 3.36Å
74	T	91.5	Very high	96.3	Very high	121 Å²	121	29.3 Å²	29.3	74%	0.742	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.1	13.1	-166.5	61.9	0	0	0	0	114.4	T72	T72-T74 PolarHBondContact O-N 2.9Å
75	A	95.1	Very high	96.3	Very high	45 Å²	45	29.2 Å²	29.2	37%	0.372	17%	0.17	S	C	.	.	S	Bend	trans	-135.7	164.7	179.7	0	0	0	0	0	111.4	T72 K410	T72-A75 HydrophobicContact CG2-CB 3.74Å; A75-K410 WeakPolarHBondContact O-CE 3.29Å
76	N	97.6	Very high	96.2	Very high	20 Å²	20	29.4 Å²	29.4	11%	0.107	17%	0.171	C	C	.	.			trans	-62.2	145.1	173.4	-66.8	-4.7	0	0	0	110.4	L318 K410 L412 D413 S416	N76-L318 WeakPolarHBondContact ND2-CD2 3.3Å; N76-K410 WeakPolarHBondContact CA-O 3.42Å; N76-L412 PolarHBondContact OD1-N 2.96Å; N76-D413 PolarHBondContact ND2-O 2.97Å; N76-D413 PolarHBondContact OD1-N 3.01Å; N76-S416 PolarHBondContact ND2-OG 3Å
77	V	97.9	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.3	170.4	177.7	0	0	0	0	107.1	Y65 Q68 T72 L79 G409 K410	Y65-V77 HydrophobicContact CD2-CG1 4.1Å; Y65-V77 HydrophobicContact CE2-CB 4.42Å; Y65-V77 HydrophobicContact CE2-CG1 4.13Å; Q68-V77 HydrophobicContact CB-CG1 4.34Å; Q68-V77 HydrophobicContact CG-CG1 3.87Å; T72-V77 HydrophobicContact CG2-CG2 3.84Å; V77-L79 HydrophobicContact CG1-CG 4.36Å; V77-G409 CarbonylContact O-C 3.52Å; V77-G409 WeakPolarHBondContact O-CA 3.32Å; V77-K410 HydrophobicContact CB-CB 4.23Å; V77-K410 PolarHBondContact N-O 3.44Å; V77-K410 PolarHBondContact O-N 2.91Å
78	L	98.1	Very high	96.2	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	123.3	174.3	179.3	78.1	0	0	0	108.8	L318 Y320 A359 L361 F407 I408	L78-L318 HydrophobicContact CD1-CD1 4.25Å; L78-L318 HydrophobicContact CD2-CB 3.81Å; L78-Y320 HydrophobicContact CB-CD2 4.5Å; L78-Y320 HydrophobicContact CB-CG 4.17Å; L78-Y320 WeakPolarHBondContact O-CD1 3.23Å; L78-Y320 WeakPolarHBondContact O-CE1 3.43Å; L78-Y320 VanDerWaalsContact O-CG 3.24Å; L78-A359 HydrophobicContact CD2-CB 3.88Å; L78-A359 HydrophobicContact CG-CB 4.13Å; L78-L361 HydrophobicContact CD1-CB 4.09Å; L78-L361 HydrophobicContact CD1-CD2 3.88Å; L78-L361 HydrophobicContact CD2-CB 3.81Å; L78-F407 HydrophobicContact CD1-CD1 3.97Å; L78-F407 HydrophobicContact CD2-CD1 4.38Å; L78-F407 HydrophobicContact CD2-CE1 4.37Å; L78-F407 HydrophobicContact CG-CD1 4.2Å; L78-I408 WeakPolarHBondContact CA-O 3.11Å
79	L	98.1	Very high	96.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.9	175.2	-62.2	179.5	0	0	0	110.9	L64 Q68 V77 P81 Y320 L324 H357 F407 I408	L64-L79 HydrophobicContact CG-CD1 4.15Å; Q68-L79 HydrophobicContact CB-CD1 4.22Å; V77-L79 HydrophobicContact CG1-CG 4.36Å; L79-P81 HydrophobicContact CB-CG 4Å; L79-Y320 HydrophobicContact CD2-CD1 4.3Å; L79-Y320 HydrophobicContact CD2-CE1 3.74Å; L79-L324 HydrophobicContact CD2-CD1 4Å; L79-L324 HydrophobicContact CD2-CD2 4.44Å; L79-H357 VanDerWaalsContact CD2-CD2 3.46Å; L79-H357 WeakPolarHBondContact CD2-CD2 3.25Å; L79-F407 CarbonylContact O-C 3.21Å; L79-F407 VanDerWaalsContact O-CA 3.29Å; L79-F407 WeakPolarHBondContact O-CA 3.37Å; L79-I408 HydrophobicContact CB-CG2 4.06Å; L79-I408 PolarHBondContact N-O 2.85Å; L79-I408 PolarHBondContact O-N 2.99Å
80	S	97.9	Very high	96.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.145	C	C	.	.			trans	-116.7	81	159.9	-177	0	0	0	0	109.3	F82 S83 A210 H357 L406	S80-F82 PolarHBondContact O-N 2.86Å; S80-S83 PolarHBondContact O-N 3.26Å; S80-S83 PolarHBondContact O-OG 2.74Å; S80-A210 WeakPolarHBondContact OG-CB 3.41Å; S80-H357 PolarHBondContact N-CE1 2.91Å; S80-H357 PolarHBondContact N-NE2 2.84Å; S80-H357 PolarHBondContact O-CE1 2.89Å; S80-H357 VanDerWaalsContact O-CE1 3.31Å; S80-L406 WeakPolarHBondContact CA-O 3.39Å; S80-L406 VanDerWaalsContact CB-O 3.32Å; S80-L406 WeakPolarHBondContact CB-O 3.41Å; S80-L406 PolarHBondContact OG-O 2.81Å
81	P	95.9	Very high	96.4	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-25.9	-165.5	-20.8	33.6	0	0	0	113.7	L79 S83 L84 A85 L405 I408	L79-P81 HydrophobicContact CB-CG 4Å; P81-S83 PolarHBondContact O-N 3.05Å; P81-L84 PolarHBondContact O-N 3.42Å; P81-A85 PolarHBondContact O-N 3.49Å; P81-L405 HydrophobicContact CG-CD2 4Å; P81-I408 HydrophobicContact CG-CG2 4.14Å
82	F	97.2	Very high	96.5	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.009	10%	0.098	C	C	.	.	H	α-helix	trans	-52.7	-38.9	178.7	-177	-108.2	0	0	0	113	V57 S80 T86 Y121 L124 L125 V128 T404	V57-F82 HydrophobicContact CG1-CD2 3.88Å; V57-F82 HydrophobicContact CG1-CE2 4.4Å; S80-F82 PolarHBondContact O-N 2.86Å; F82-T86 VanDerWaalsContact O-CB 3.28Å; F82-T86 WeakPolarHBondContact O-CB 3.22Å; F82-T86 PolarHBondContact O-N 2.74Å; F82-T86 PolarHBondContact O-OG1 3.43Å; F82-Y121 HydrophobicContact CE2-CE1 4.27Å; F82-Y121 HydrophobicContact CZ-CE1 4.32Å; F82-L124 HydrophobicContact CE2-CD2 3.9Å; F82-L124 HydrophobicContact CE2-CG 4.02Å; F82-L124 HydrophobicContact CZ-CG 4.3Å; F82-L125 HydrophobicContact CE1-CD2 3.68Å; F82-L125 HydrophobicContact CZ-CD2 3.66Å; F82-L125 HydrophobicContact CZ-CG 4.23Å; F82-V128 HydrophobicContact CD1-CG1 4.05Å; F82-V128 HydrophobicContact CE1-CB 4.22Å; F82-V128 HydrophobicContact CE1-CG1 3.79Å; F82-V128 HydrophobicContact CZ-CB 4.24Å; F82-V128 HydrophobicContact CZ-CG1 4.22Å; F82-V128 HydrophobicContact CZ-CG2 4.47Å; F82-T404 HydrophobicContact CD2-CG2 3.66Å; F82-T404 HydrophobicContact CE2-CG2 4.11Å; F82-T404 HydrophobicContact CG-CG2 4.19Å
83	S	96.2	Very high	96.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.9	-41.9	177.9	62.2	0	0	0	0	112.9	S80 P81 A87 S139 G208	S80-S83 PolarHBondContact O-N 3.26Å; S80-S83 PolarHBondContact O-OG 2.74Å; P81-S83 PolarHBondContact O-N 3.05Å; S83-A87 PolarHBondContact O-N 3.38Å; S83-A87 VanDerWaalsContact O-N 3.11Å; S83-S139 WeakPolarHBondContact CA-OG 3.48Å; S83-S139 WeakPolarHBondContact O-CB 3.33Å; S83-S139 PolarHBondContact O-OG 2.9Å; S83-G208 WeakPolarHBondContact OG-CA 3.19Å
84	L	96.5	Very high	96.9	Very high	6 Å²	6	10.3 Å²	10.3	3%	0.031	7%	0.066	C	C	.	.	H	α-helix	trans	-74.4	-41.8	179.4	-66.2	171.1	0	0	0	111.8	L64 P81 T86 A87 L88 L324 V355 H357	L64-L84 HydrophobicContact CD2-CD1 3.77Å; P81-L84 PolarHBondContact O-N 3.42Å; L84-T86 PolarHBondContact O-N 3.33Å; L84-A87 PolarHBondContact O-N 3.32Å; L84-A87 VanDerWaalsContact O-N 3.16Å; L84-L88 WeakPolarHBondContact O-CB 3.18Å; L84-L88 PolarHBondContact O-N 2.97Å; L84-L324 HydrophobicContact CD1-CD1 3.45Å; L84-L324 VanDerWaalsContact CD1-CD1 3.45Å; L84-V355 HydrophobicContact CD2-CG1 3.78Å; L84-H357 HydrophobicContact CD1-CB 3.99Å; L84-H357 HydrophobicContact CD2-CB 4.47Å
85	A	97.6	Very high	97.1	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-58.7	-40.5	174.3	0	0	0	0	0	111.1	V57 F60 P81 L88 S89 L107	V57-A85 HydrophobicContact CG1-CB 3.55Å; F60-A85 HydrophobicContact CD1-CB 3.69Å; F60-A85 HydrophobicContact CE1-CB 3.91Å; P81-A85 PolarHBondContact O-N 3.49Å; A85-L88 PolarHBondContact O-N 2.93Å; A85-S89 WeakPolarHBondContact O-CB 3.45Å; A85-S89 PolarHBondContact O-N 2.97Å; A85-L107 HydrophobicContact CB-CD2 4.04Å
86	T	98	Very high	97.2	Very high	3 Å²	3	2.7 Å²	2.7	2%	0.018	2%	0.015	C	C	.	.	H	α-helix	trans	-61.8	-45.4	175	-59.6	0	0	0	0	111.7	F82 L84 G90 Y121 L125 Y161	F82-T86 VanDerWaalsContact O-CB 3.28Å; F82-T86 WeakPolarHBondContact O-CB 3.22Å; F82-T86 PolarHBondContact O-N 2.74Å; F82-T86 PolarHBondContact O-OG1 3.43Å; L84-T86 PolarHBondContact O-N 3.33Å; T86-G90 PolarHBondContact O-N 2.9Å; T86-Y121 VanDerWaalsContact CA-OH 3.23Å; T86-Y121 WeakPolarHBondContact CA-OH 3.32Å; T86-Y121 HydrophobicContact CG2-CE1 3.97Å; T86-Y121 PolarHBondContact N-OH 2.83Å; T86-Y121 WeakPolarHBondContact OG1-CE1 3.47Å; T86-Y121 PolarHBondContact OG1-OH 3.46Å; T86-L125 HydrophobicContact CG2-CD1 4.2Å; T86-L125 HydrophobicContact CG2-CD2 3.9Å; T86-Y161 HydrophobicContact CG2-CD1 3.89Å
87	A	97.4	Very high	97.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.6	-41.3	177.6	0	0	0	0	0	112.2	S83 L84 G90 L91 L206	S83-A87 PolarHBondContact O-N 3.38Å; S83-A87 VanDerWaalsContact O-N 3.11Å; L84-A87 PolarHBondContact O-N 3.32Å; L84-A87 VanDerWaalsContact O-N 3.16Å; A87-G90 PolarHBondContact O-N 3.49Å; A87-L91 WeakPolarHBondContact O-CB 3.48Å; A87-L91 PolarHBondContact O-N 3.43Å; A87-L206 HydrophobicContact CB-CB 4.42Å; A87-L206 HydrophobicContact CB-CD2 4.06Å
88	L	97.8	Very high	97	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-68.7	-43	178.6	-175.4	63.3	0	0	0	112.2	F60 L84 A85 L91 S92 I103 L107 L206 L333 L336	F60-L88 HydrophobicContact CE2-CD2 4.11Å; F60-L88 HydrophobicContact CZ-CD2 4.09Å; L84-L88 WeakPolarHBondContact O-CB 3.18Å; L84-L88 PolarHBondContact O-N 2.97Å; A85-L88 PolarHBondContact O-N 2.93Å; L88-L91 WeakPolarHBondContact O-CB 3.26Å; L88-L91 PolarHBondContact O-N 2.63Å; L88-L91 VanDerWaalsContact O-N 3.15Å; L88-S92 PolarHBondContact O-N 2.82Å; L88-S92 VanDerWaalsContact O-N 3.09Å; L88-I103 HydrophobicContact CD1-CD1 4.46Å; L88-I103 HydrophobicContact CD1-CG1 4.23Å; L88-I103 HydrophobicContact CD1-CG2 4.21Å; L88-I103 HydrophobicContact CD2-CG2 4.38Å; L88-I103 HydrophobicContact CG-CG2 3.81Å; L88-L107 HydrophobicContact CD2-CD1 4.49Å; L88-L107 HydrophobicContact CD2-CD2 4.14Å; L88-L107 HydrophobicContact CD2-CG 4.26Å; L88-L107 HydrophobicContact CG-CD1 4.37Å; L88-L206 HydrophobicContact CB-CD1 4.32Å; L88-L206 HydrophobicContact CD1-CD1 4.11Å; L88-L333 HydrophobicContact CD2-CD1 3.54Å; L88-L333 HydrophobicContact CD2-CD2 4.3Å; L88-L336 HydrophobicContact CD1-CD1 3.84Å
89	S	97.8	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.8	-43.1	173.8	-176.5	0	0	0	0	111.3	A85 L91 S92 Y109 Y121 Y161	A85-S89 WeakPolarHBondContact O-CB 3.45Å; A85-S89 PolarHBondContact O-N 2.97Å; S89-L91 VanDerWaalsContact C-N 3.33Å; S89-L91 PolarHBondContact O-N 2.67Å; S89-S92 PolarHBondContact O-N 3.07Å; S89-S92 PolarHBondContact O-OG 3.37Å; S89-Y109 VanDerWaalsContact CB-OH 3.31Å; S89-Y109 WeakPolarHBondContact CB-OH 3.49Å; S89-Y109 PolarHBondContact OG-OH 3.36Å; S89-Y121 VanDerWaalsContact OG-CD2 3.28Å; S89-Y121 WeakPolarHBondContact OG-CD2 3.43Å; S89-Y121 VanDerWaalsContact OG-CE2 3.23Å; S89-Y121 WeakPolarHBondContact OG-CE2 3.48Å; S89-Y161 PolarHBondContact O-OH 3.49Å; S89-Y161 WeakPolarHBondContact OG-CE1 3.38Å; S89-Y161 PolarHBondContact OG-OH 3.18Å
90	G	97.2	Very high	96.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.1	-34.2	172.8	0	0	0	0	0	113.2	T86 A87 S92 L93 F153 L157	T86-G90 PolarHBondContact O-N 2.9Å; A87-G90 PolarHBondContact O-N 3.49Å; G90-S92 VanDerWaalsContact C-N 3.29Å; G90-S92 PolarHBondContact O-N 3.11Å; G90-L93 PolarHBondContact O-N 3.12Å; G90-F153 WeakPolarHBondContact O-CE2 3.35Å; G90-L157 WeakPolarHBondContact O-CD1 3.3Å
91	L	97.6	Very high	96.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.7	-31.2	177	-178	64.4	0	0	0	111.9	A87 L88 S89 L93 G94 I141 I204 L206 F342 I345	A87-L91 WeakPolarHBondContact O-CB 3.48Å; A87-L91 PolarHBondContact O-N 3.43Å; L88-L91 WeakPolarHBondContact O-CB 3.26Å; L88-L91 PolarHBondContact O-N 2.63Å; L88-L91 VanDerWaalsContact O-N 3.15Å; S89-L91 VanDerWaalsContact C-N 3.33Å; S89-L91 PolarHBondContact O-N 2.67Å; L91-L93 VanDerWaalsContact C-N 3.25Å; L91-L93 PolarHBondContact O-N 3.48Å; L91-G94 PolarHBondContact O-N 3.26Å; L91-I141 HydrophobicContact CB-CD1 3.88Å; L91-I141 HydrophobicContact CD1-CD1 4.26Å; L91-I141 HydrophobicContact CD1-CG2 4.29Å; L91-I204 HydrophobicContact CD1-CD1 4.12Å; L91-I204 HydrophobicContact CD1-CG2 4.31Å; L91-I204 HydrophobicContact CD2-CG2 4.39Å; L91-L206 HydrophobicContact CB-CD2 4.48Å; L91-L206 HydrophobicContact CD2-CD1 4.38Å; L91-L206 HydrophobicContact CD2-CD2 4.18Å; L91-F342 HydrophobicContact CD1-CD1 4.32Å; L91-F342 HydrophobicContact CD1-CE1 3.96Å; L91-F342 HydrophobicContact CD1-CZ 4.28Å; L91-F342 HydrophobicContact CD2-CE1 4.01Å; L91-F342 HydrophobicContact CD2-CZ 3.7Å; L91-F342 HydrophobicContact CG-CD1 4.49Å; L91-F342 HydrophobicContact CG-CE1 3.69Å; L91-F342 HydrophobicContact CG-CZ 3.93Å; L91-I345 HydrophobicContact CD1-CD1 3.75Å
92	S	97.1	Very high	96.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-63.5	-28	-179.5	82.4	0	0	0	0	113.3	L88 S89 G90 G94 A95	L88-S92 PolarHBondContact O-N 2.82Å; L88-S92 VanDerWaalsContact O-N 3.09Å; S89-S92 PolarHBondContact O-N 3.07Å; S89-S92 PolarHBondContact O-OG 3.37Å; G90-S92 VanDerWaalsContact C-N 3.29Å; G90-S92 PolarHBondContact O-N 3.11Å; S92-G94 PolarHBondContact O-N 3.33Å; S92-G94 VanDerWaalsContact O-N 3.08Å; S92-A95 WeakPolarHBondContact O-CB 3.34Å; S92-A95 PolarHBondContact O-N 3.32Å
93	L	95.8	Very high	96.9	Very high	14 Å²	14	26.8 Å²	26.8	7%	0.073	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.2	172	-69.1	172.6	0	0	0	112.6	G90 L91 H118 F153 Q156 L157 Y161	G90-L93 PolarHBondContact O-N 3.12Å; L91-L93 VanDerWaalsContact C-N 3.25Å; L91-L93 PolarHBondContact O-N 3.48Å; L93-H118 WeakPolarHBondContact CD2-NE2 3.44Å; L93-F153 HydrophobicContact CB-CD2 3.89Å; L93-F153 HydrophobicContact CB-CE2 3.83Å; L93-Q156 HydrophobicContact CD1-CB 3.92Å; L93-Q156 HydrophobicContact CD2-CB 4.42Å; L93-L157 HydrophobicContact CD1-CD1 4.16Å; L93-Y161 HydrophobicContact CD1-CD2 4Å; L93-Y161 HydrophobicContact CD1-CE2 3.69Å; L93-Y161 HydrophobicContact CG-CE2 4.3Å
94	G	95.9	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-3.5	-179.8	0	0	0	0	0	114.4	L91 S92 F153 F342 K344 I345	L91-G94 PolarHBondContact O-N 3.26Å; S92-G94 PolarHBondContact O-N 3.33Å; S92-G94 VanDerWaalsContact O-N 3.08Å; G94-F153 VanDerWaalsContact N-CE2 3.31Å; G94-F342 CarbonylContact O-C 3.56Å; G94-F342 VanDerWaalsContact O-CA 3.3Å; G94-F342 WeakPolarHBondContact O-CA 3.37Å; G94-K344 WeakPolarHBondContact O-CB 3.19Å; G94-K344 PolarHBondContact O-N 2.99Å; G94-I345 VanDerWaalsContact CA-CG1 3.43Å
95	A	97.1	Very high	96.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-89.8	144.4	-173.8	0	0	0	0	0	112.1	S92 T99 E100 I103 D341 F342 K344	S92-A95 WeakPolarHBondContact O-CB 3.34Å; S92-A95 PolarHBondContact O-N 3.32Å; A95-T99 HydrophobicContact CB-CG2 3.8Å; A95-E100 HydrophobicContact CB-CB 3.97Å; A95-I103 HydrophobicContact CB-CD1 4.37Å; A95-D341 CarbonylContact C-O 3.58Å; A95-D341 VanDerWaalsContact CA-O 3.26Å; A95-D341 WeakPolarHBondContact CA-O 3.45Å; A95-F342 HydrophobicContact CB-CD1 4.04Å; A95-F342 HydrophobicContact CB-CE1 3.95Å; A95-K344 WeakPolarHBondContact O-CD 3.5Å; A95-K344 WeakPolarHBondContact O-CE 3.34Å; A95-K344 PolarHBondContact O-NZ 2.78Å
96	G	96.6	Very high	96.9	Very high	5 Å²	5	34.3 Å²	34.3	5%	0.052	16%	0.155	C	C	.	.			trans	-71.6	161.9	163.6	0	0	0	0	0	111.4	R98 T99 E100 D341	G96-R98 PolarHBondContact O-N 3.47Å; G96-R98 VanDerWaalsContact O-N 3.14Å; G96-T99 PolarHBondContact O-N 2.64Å; G96-E100 WeakPolarHBondContact O-CB 3.41Å; G96-E100 PolarHBondContact O-N 3.36Å; G96-D341 WeakPolarHBondContact CA-OD2 3.22Å; G96-D341 PolarHBondContact N-O 2.95Å
97	E	95.3	Very high	96.8	Very high	160 Å²	160	34.2 Å²	34.2	75%	0.748	15%	0.154	S	C	*	.	H	α-helix	trans	-45.9	-52.1	-166.8	-66.1	-179.9	170.7	0	0	113.9	T99 E100 D101	E97-T99 VanDerWaalsContact C-N 3.32Å; E97-T99 PolarHBondContact O-N 3.23Å; E97-E100 WeakPolarHBondContact O-CB 3.42Å; E97-E100 PolarHBondContact O-N 3.29Å; E97-D101 WeakPolarHBondContact O-CB 3.35Å; E97-D101 PolarHBondContact O-N 3.14Å
98	R	96.3	Very high	96.8	Very high	217 Å²	217	37 Å²	37	82%	0.819	17%	0.166	S	C	*	.	H	α-helix	trans	-63.8	-36	-178.8	-177	174.7	178.9	148.2	0.6	113.4	G96 V102	G96-R98 PolarHBondContact O-N 3.47Å; G96-R98 VanDerWaalsContact O-N 3.14Å; R98-V102 WeakPolarHBondContact O-CG2 3.39Å; R98-V102 PolarHBondContact O-N 2.95Å
99	T	97.9	Very high	96.7	Very high	10 Å²	10	37 Å²	37	6%	0.061	17%	0.166	C	C	.	.	H	α-helix	trans	-77.8	-37.5	179.7	-61.8	0	0	0	0	110.5	A95 G96 E97 V102 I103 L336 P340 D341 F342	A95-T99 HydrophobicContact CB-CG2 3.8Å; G96-T99 PolarHBondContact O-N 2.64Å; E97-T99 VanDerWaalsContact C-N 3.32Å; E97-T99 PolarHBondContact O-N 3.23Å; T99-V102 PolarHBondContact O-N 2.89Å; T99-I103 HydrophobicContact CG2-CD1 4.38Å; T99-I103 WeakPolarHBondContact O-CG1 3.4Å; T99-I103 PolarHBondContact O-N 3.17Å; T99-L336 HydrophobicContact CG2-CD2 3.51Å; T99-P340 HydrophobicContact CG2-CB 3.78Å; T99-D341 PolarHBondContact OG1-N 3.31Å; T99-F342 HydrophobicContact CG2-CE1 3.95Å; T99-F342 HydrophobicContact CG2-CZ 4.04Å
100	E	96.7	Very high	96.2	Very high	51 Å²	51	40.4 Å²	40.4	24%	0.238	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-48.3	172.6	-169.4	174.7	168.7	0	0	110.6	A95 G96 E97 V102 I103 S104 K344	A95-E100 HydrophobicContact CB-CB 3.97Å; G96-E100 WeakPolarHBondContact O-CB 3.41Å; G96-E100 PolarHBondContact O-N 3.36Å; E97-E100 WeakPolarHBondContact O-CB 3.42Å; E97-E100 PolarHBondContact O-N 3.29Å; E100-V102 VanDerWaalsContact C-N 3.32Å; E100-V102 PolarHBondContact O-N 3.33Å; E100-I103 CarbonylContact O-C 3.6Å; E100-I103 PolarHBondContact O-N 2.91Å; E100-S104 WeakPolarHBondContact O-CB 3.37Å; E100-S104 PolarHBondContact O-N 3.36Å; E100-S104 PolarHBondContact O-OG 3.14Å; E100-S104 VanDerWaalsContact O-OG 3.12Å; E100-K344 IonicContact OE2-NZ 2.91Å; E100-K344 PolarHBondContact OE2-NZ 3.45Å
101	D	96	Very high	95.6	Very high	61 Å²	61	47.2 Å²	47.2	33%	0.326	22%	0.22	S	C	.	.	H	α-helix	trans	-59.7	-37.9	177.5	-82.6	-24.5	0	0	0	113.5	E97 I103 S104 R105 K114	E97-D101 WeakPolarHBondContact O-CB 3.35Å; E97-D101 PolarHBondContact O-N 3.14Å; D101-I103 VanDerWaalsContact C-N 3.34Å; D101-S104 PolarHBondContact O-N 2.87Å; D101-R105 WeakPolarHBondContact O-CB 3.36Å; D101-R105 WeakPolarHBondContact O-CG 3.1Å; D101-R105 PolarHBondContact O-N 3.12Å; D101-K114 IonicContact OD1-NZ 2.64Å; D101-K114 PolarHBondContact OD1-NZ 2.85Å
102	V	97.3	Very high	95.4	Very high	33 Å²	33	49 Å²	49	20%	0.2	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-43.9	174.8	168.3	0	0	0	0	110.7	R98 T99 E100 A106 R332 L333	R98-V102 WeakPolarHBondContact O-CG2 3.39Å; R98-V102 PolarHBondContact O-N 2.95Å; T99-V102 PolarHBondContact O-N 2.89Å; E100-V102 VanDerWaalsContact C-N 3.32Å; E100-V102 PolarHBondContact O-N 3.33Å; V102-A106 PolarHBondContact O-N 3.08Å; V102-R332 WeakPolarHBondContact CG1-O 3.43Å; V102-L333 HydrophobicContact CG1-CD2 4.11Å
103	I	97.6	Very high	95	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67	-45.9	177.8	-64.5	166.1	0	0	0	110.4	L88 A95 T99 E100 D101 R105 A106 L107 L333 L336 F342	L88-I103 HydrophobicContact CD1-CD1 4.46Å; L88-I103 HydrophobicContact CD1-CG1 4.23Å; L88-I103 HydrophobicContact CD1-CG2 4.21Å; L88-I103 HydrophobicContact CD2-CG2 4.38Å; L88-I103 HydrophobicContact CG-CG2 3.81Å; A95-I103 HydrophobicContact CB-CD1 4.37Å; T99-I103 HydrophobicContact CG2-CD1 4.38Å; T99-I103 WeakPolarHBondContact O-CG1 3.4Å; T99-I103 PolarHBondContact O-N 3.17Å; E100-I103 CarbonylContact O-C 3.6Å; E100-I103 PolarHBondContact O-N 2.91Å; D101-I103 VanDerWaalsContact C-N 3.34Å; I103-R105 VanDerWaalsContact C-N 3.32Å; I103-R105 PolarHBondContact O-N 3.18Å; I103-A106 PolarHBondContact O-N 2.81Å; I103-L107 HydrophobicContact CG2-CD1 3.65Å; I103-L107 HydrophobicContact CG2-CG 4.31Å; I103-L107 WeakPolarHBondContact O-CB 3.24Å; I103-L107 WeakPolarHBondContact O-CG 3.45Å; I103-L107 PolarHBondContact O-N 2.87Å; I103-L333 HydrophobicContact CG1-CD2 4.48Å; I103-L336 HydrophobicContact CD1-CD1 4.28Å; I103-L336 HydrophobicContact CD1-CD2 4.15Å; I103-L336 HydrophobicContact CG1-CD1 3.94Å; I103-L336 HydrophobicContact CG1-CD2 4.05Å; I103-F342 HydrophobicContact CD1-CE1 4.43Å
104	S	96.4	Very high	94.4	Very high	6 Å²	6	56.8 Å²	56.8	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-57.4	-43.2	178	-65.8	0	0	0	0	112	E100 D101 L107 F108 Y109	E100-S104 WeakPolarHBondContact O-CB 3.37Å; E100-S104 PolarHBondContact O-N 3.36Å; E100-S104 PolarHBondContact O-OG 3.14Å; E100-S104 VanDerWaalsContact O-OG 3.12Å; D101-S104 PolarHBondContact O-N 2.87Å; S104-L107 CarbonylContact O-C 3.59Å; S104-L107 PolarHBondContact O-N 2.7Å; S104-F108 PolarHBondContact O-N 3.22Å; S104-F108 VanDerWaalsContact O-N 3.09Å; S104-Y109 PolarHBondContact O-N 3.19Å
105	R	96.3	Very high	94	Very high	145 Å²	145	60.8 Å²	60.8	55%	0.547	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-45.2	175.6	-80.4	173.9	-169.7	178.9	12.5	112.8	D101 I103 L107 F108 D110	D101-R105 WeakPolarHBondContact O-CB 3.36Å; D101-R105 WeakPolarHBondContact O-CG 3.1Å; D101-R105 PolarHBondContact O-N 3.12Å; I103-R105 VanDerWaalsContact C-N 3.32Å; I103-R105 PolarHBondContact O-N 3.18Å; R105-L107 VanDerWaalsContact C-N 3.27Å; R105-L107 PolarHBondContact O-N 3Å; R105-F108 PolarHBondContact O-N 2.81Å; R105-D110 WeakPolarHBondContact CG-OD2 3.48Å; R105-D110 IonicContact NE-OD2 2.63Å; R105-D110 PolarHBondContact NE-OD2 2.96Å
106	A	96.7	Very high	93.7	Very high	13 Å²	13	65.5 Å²	65.5	11%	0.107	32%	0.322	C	S	.	.	H	α-helix	trans	-66.1	-32	179.3	0	0	0	0	0	112.3	F60 V102 I103 F108 L333	F60-A106 WeakPolarHBondContact CB-O 3.37Å; F60-A106 WeakPolarHBondContact CD2-O 3.4Å; V102-A106 PolarHBondContact O-N 3.08Å; I103-A106 PolarHBondContact O-N 2.81Å; A106-F108 VanDerWaalsContact C-N 3.31Å; A106-F108 WeakPolarHBondContact O-CD2 3.29Å; A106-L333 HydrophobicContact CB-CD1 4.17Å; A106-L333 HydrophobicContact CB-CD2 3.49Å; A106-L333 VanDerWaalsContact CB-CD2 3.49Å; A106-L333 HydrophobicContact CB-CG 3.8Å
107	L	97.2	Very high	93.6	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	8.5	176.3	-65.7	174.8	0	0	0	113.5	A56 F60 A85 L88 I103 S104 R105 Y109	A56-L107 CarbonylContact C-O 3.59Å; A56-L107 WeakPolarHBondContact CB-O 3.33Å; F60-L107 HydrophobicContact CB-CD2 4.13Å; F60-L107 HydrophobicContact CD1-CD2 3.98Å; F60-L107 HydrophobicContact CD2-CD2 4.13Å; F60-L107 HydrophobicContact CE1-CD2 4.45Å; F60-L107 HydrophobicContact CG-CD2 3.78Å; A85-L107 HydrophobicContact CB-CD2 4.04Å; L88-L107 HydrophobicContact CD2-CD1 4.49Å; L88-L107 HydrophobicContact CD2-CD2 4.14Å; L88-L107 HydrophobicContact CD2-CG 4.26Å; L88-L107 HydrophobicContact CG-CD1 4.37Å; I103-L107 HydrophobicContact CG2-CD1 3.65Å; I103-L107 HydrophobicContact CG2-CG 4.31Å; I103-L107 WeakPolarHBondContact O-CB 3.24Å; I103-L107 WeakPolarHBondContact O-CG 3.45Å; I103-L107 PolarHBondContact O-N 2.87Å; S104-L107 CarbonylContact O-C 3.59Å; S104-L107 PolarHBondContact O-N 2.7Å; R105-L107 VanDerWaalsContact C-N 3.27Å; R105-L107 PolarHBondContact O-N 3Å; L107-Y109 HydrophobicContact CB-CD1 3.9Å; L107-Y109 HydrophobicContact CB-CD2 4.2Å; L107-Y109 HydrophobicContact CB-CE1 3.68Å; L107-Y109 HydrophobicContact CB-CE2 3.99Å; L107-Y109 HydrophobicContact CB-CG 4.15Å; L107-Y109 HydrophobicContact CD1-CD2 4.5Å; L107-Y109 HydrophobicContact CD1-CE2 3.71Å; L107-Y109 WeakPolarHBondContact O-CD1 3.47Å; L107-Y109 WeakPolarHBondContact O-CE1 3.34Å; L107-Y109 PolarHBondContact O-N 3.12Å
108	F	96.8	Very high	93.6	Very high	58 Å²	58	59.5 Å²	59.5	25%	0.254	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	24.5	-179.9	-63.8	-101.3	0	0	0	114.8	A56 N59 F60 D63 S104 R105 A106 D110 L111	A56-F108 HydrophobicContact CB-CB 3.74Å; N59-F108 HydrophobicContact CB-CD1 4.47Å; N59-F108 HydrophobicContact CB-CD2 3.98Å; N59-F108 HydrophobicContact CB-CE1 4.37Å; N59-F108 HydrophobicContact CB-CE2 3.89Å; N59-F108 HydrophobicContact CB-CG 4.28Å; N59-F108 HydrophobicContact CB-CZ 4.09Å; F60-F108 HydrophobicContact CB-CD2 4.41Å; D63-F108 WeakPolarHBondContact OD2-CE2 3.39Å; D63-F108 WeakPolarHBondContact OD2-CZ 3.49Å; S104-F108 PolarHBondContact O-N 3.22Å; S104-F108 VanDerWaalsContact O-N 3.09Å; R105-F108 PolarHBondContact O-N 2.81Å; A106-F108 VanDerWaalsContact C-N 3.31Å; A106-F108 WeakPolarHBondContact O-CD2 3.29Å; F108-D110 VanDerWaalsContact C-N 3.28Å; F108-D110 PolarHBondContact O-N 2.88Å; F108-L111 PolarHBondContact O-N 3.49Å
109	Y	95.4	Very high	93.5	Very high	4 Å²	4	53 Å²	53	2%	0.016	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-74.9	-15.1	179.3	-64.7	-10.6	0	0	0	114.2	L53 V57 S89 S104 L107 L111 L112 V117 Y121	L53-Y109 HydrophobicContact CD1-CD1 4.09Å; L53-Y109 HydrophobicContact CD1-CE1 3.44Å; L53-Y109 VanDerWaalsContact CD1-CE1 3.44Å; V57-Y109 HydrophobicContact CG2-CE1 4.2Å; S89-Y109 VanDerWaalsContact CB-OH 3.31Å; S89-Y109 WeakPolarHBondContact CB-OH 3.49Å; S89-Y109 PolarHBondContact OG-OH 3.36Å; S104-Y109 PolarHBondContact O-N 3.19Å; L107-Y109 HydrophobicContact CB-CD1 3.9Å; L107-Y109 HydrophobicContact CB-CD2 4.2Å; L107-Y109 HydrophobicContact CB-CE1 3.68Å; L107-Y109 HydrophobicContact CB-CE2 3.99Å; L107-Y109 HydrophobicContact CB-CG 4.15Å; L107-Y109 HydrophobicContact CD1-CD2 4.5Å; L107-Y109 HydrophobicContact CD1-CE2 3.71Å; L107-Y109 WeakPolarHBondContact O-CD1 3.47Å; L107-Y109 WeakPolarHBondContact O-CE1 3.34Å; L107-Y109 PolarHBondContact O-N 3.12Å; Y109-L111 PolarHBondContact O-N 2.97Å; Y109-L112 HydrophobicContact CD1-CD1 3.88Å; Y109-L112 PolarHBondContact O-N 3.45Å; Y109-V117 HydrophobicContact CD1-CG1 4.2Å; Y109-V117 HydrophobicContact CD2-CG1 3.71Å; Y109-V117 HydrophobicContact CD2-CG2 4.5Å; Y109-V117 HydrophobicContact CE1-CG1 3.98Å; Y109-V117 HydrophobicContact CE2-CG1 3.45Å; Y109-V117 VanDerWaalsContact CE2-CG1 3.45Å; Y109-V117 HydrophobicContact CG-CG1 4.07Å; Y109-V117 HydrophobicContact CG-CG2 4.29Å; Y109-Y121 WeakPolarHBondContact OH-CD2 3.5Å; Y109-Y121 WeakPolarHBondContact OH-CE2 3.39Å
110	D	87.9	Confident	93.5	Very high	71 Å²	71	53.4 Å²	53.4	38%	0.38	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-64.7	-15.4	175.5	-76.2	0.6	0	0	0	112.4	R105 F108 K114	R105-D110 WeakPolarHBondContact CG-OD2 3.48Å; R105-D110 IonicContact NE-OD2 2.63Å; R105-D110 PolarHBondContact NE-OD2 2.96Å; F108-D110 VanDerWaalsContact C-N 3.28Å; F108-D110 PolarHBondContact O-N 2.88Å; D110-K114 WeakPolarHBondContact OD1-CE 3.49Å; D110-K114 IonicContact OD1-NZ 3.92Å; D110-K114 PolarHBondContact OD1-NZ 3.29Å
111	L	84.6	Confident	93.5	Very high	142 Å²	142	51 Å²	51	74%	0.743	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-91.8	0.3	173.6	-54.4	178.7	0	0	0	113	F108 Y109	F108-L111 PolarHBondContact O-N 3.49Å; Y109-L111 PolarHBondContact O-N 2.97Å
112	L	92.1	Very high	93.6	Very high	37 Å²	37	52.3 Å²	52.3	19%	0.194	27%	0.268	C	S	.	.	S	Bend	trans	-119.8	166.7	-173.1	-54.4	-179.3	0	0	0	111.9	K52 L53 A56 Y109 K114 V117	K52-L112 HydrophobicContact CB-CD2 3.55Å; K52-L112 HydrophobicContact CD-CD2 4.46Å; L53-L112 HydrophobicContact CB-CD1 4.28Å; L53-L112 HydrophobicContact CD1-CD1 3.69Å; A56-L112 HydrophobicContact CB-CD1 3.94Å; Y109-L112 HydrophobicContact CD1-CD1 3.88Å; Y109-L112 PolarHBondContact O-N 3.45Å; L112-K114 PolarHBondContact O-N 3.09Å; L112-V117 HydrophobicContact CB-CG2 4.13Å; L112-V117 HydrophobicContact CD1-CG2 4.29Å
113	N	89.6	Confident	93.5	Very high	91 Å²	91	55 Å²	55	49%	0.487	28%	0.281	S	S	.	.			trans	-72.5	94	167.6	-176.6	1.7	0	0	0	110.6	A115 E116 V117	N113-A115 PolarHBondContact O-N 3.33Å; N113-A115 PolarHBondContact OD1-N 3.21Å; N113-E116 PolarHBondContact ND2-OE2 3.48Å; N113-E116 PolarHBondContact O-N 3.15Å; N113-V117 PolarHBondContact O-N 3.48Å
114	K	83	Confident	93.5	Very high	89 Å²	89	55 Å²	55	39%	0.387	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-35.3	-177.8	-69.4	-170.6	177.4	-172.6	0	113.9	D101 D110 L112 E116	D101-K114 IonicContact OD1-NZ 2.64Å; D101-K114 PolarHBondContact OD1-NZ 2.85Å; D110-K114 WeakPolarHBondContact OD1-CE 3.49Å; D110-K114 IonicContact OD1-NZ 3.92Å; D110-K114 PolarHBondContact OD1-NZ 3.29Å; L112-K114 PolarHBondContact O-N 3.09Å; K114-E116 PolarHBondContact O-N 2.99Å
115	A	86.9	Confident	93.5	Very high	84 Å²	84	55.5 Å²	55.5	69%	0.694	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-25.2	-178	0	0	0	0	0	113.4	N113	N113-A115 PolarHBondContact O-N 3.33Å; N113-A115 PolarHBondContact OD1-N 3.21Å
116	E	91.2	Very high	93.4	Very high	98 Å²	98	51.8 Å²	51.8	46%	0.458	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-17	-174.9	-68	178.2	156.8	0	0	113.1	N113 K114 H118 N119 T120	N113-E116 PolarHBondContact ND2-OE2 3.48Å; N113-E116 PolarHBondContact O-N 3.15Å; K114-E116 PolarHBondContact O-N 2.99Å; E116-H118 VanDerWaalsContact C-N 3.28Å; E116-H118 PolarHBondContact O-N 2.95Å; E116-H118 VanDerWaalsContact O-N 3.08Å; E116-N119 WeakPolarHBondContact O-CA 3.5Å; E116-N119 PolarHBondContact O-N 2.93Å; E116-T120 PolarHBondContact O-N 2.83Å; E116-T120 PolarHBondContact O-OG1 2.89Å
117	V	95.3	Very high	93.4	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.03	28%	0.282	C	S	.	.	H	α-helix	trans	-45.6	-49.8	-173.5	167.1	0	0	0	0	112.5	L53 Y109 L112 N113 N119 T120 Y121	L53-V117 HydrophobicContact CD1-CG1 4.09Å; Y109-V117 HydrophobicContact CD1-CG1 4.2Å; Y109-V117 HydrophobicContact CD2-CG1 3.71Å; Y109-V117 HydrophobicContact CD2-CG2 4.5Å; Y109-V117 HydrophobicContact CE1-CG1 3.98Å; Y109-V117 HydrophobicContact CE2-CG1 3.45Å; Y109-V117 VanDerWaalsContact CE2-CG1 3.45Å; Y109-V117 HydrophobicContact CG-CG1 4.07Å; Y109-V117 HydrophobicContact CG-CG2 4.29Å; L112-V117 HydrophobicContact CB-CG2 4.13Å; L112-V117 HydrophobicContact CD1-CG2 4.29Å; N113-V117 PolarHBondContact O-N 3.48Å; V117-N119 PolarHBondContact O-N 2.84Å; V117-T120 PolarHBondContact O-N 2.84Å; V117-Y121 WeakPolarHBondContact O-CB 3.43Å; V117-Y121 PolarHBondContact O-N 2.95Å
118	H	95.3	Very high	93.2	Very high	34 Å²	34	52.7 Å²	52.7	16%	0.157	28%	0.282	C	S	.	.	H	α-helix	trans	-69.1	-31	-177.1	-61.2	-60.4	0	0	0	113.6	L93 E116 S160 Y161	L93-H118 WeakPolarHBondContact CD2-NE2 3.44Å; E116-H118 VanDerWaalsContact C-N 3.28Å; E116-H118 PolarHBondContact O-N 2.95Å; E116-H118 VanDerWaalsContact O-N 3.08Å; H118-S160 VanDerWaalsContact O-CB 3.24Å; H118-S160 WeakPolarHBondContact O-CB 3.41Å; H118-S160 PolarHBondContact O-OG 3.32Å; H118-Y161 PolarHBondContact CE1-OH 2.84Å; H118-Y161 AromaticContact ND1-CE2 3.77Å; H118-Y161 AromaticContact ND1-CZ 3.67Å; H118-Y161 PolarHBondContact ND1-OH 2.81Å
119	N	94	Very high	92.9	Very high	82 Å²	82	52.7 Å²	52.7	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-74.3	-45.6	174.1	-70.9	-33.1	0	0	0	110	E116 V117 Y121 K122	E116-N119 WeakPolarHBondContact O-CA 3.5Å; E116-N119 PolarHBondContact O-N 2.93Å; V117-N119 PolarHBondContact O-N 2.84Å; N119-Y121 PolarHBondContact O-N 3.05Å; N119-K122 WeakPolarHBondContact O-CB 3.33Å; N119-K122 PolarHBondContact O-N 3.45Å
120	T	97	Very high	92.8	Very high	18 Å²	18	53.1 Å²	53.1	11%	0.11	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-33.2	175.1	-50.4	0	0	0	0	111.9	P49 V50 L53 E116 V117 K122 D123 L124	P49-T120 HydrophobicContact CB-CG2 4.16Å; V50-T120 HydrophobicContact CB-CG2 4.36Å; V50-T120 HydrophobicContact CG2-CG2 3.81Å; L53-T120 HydrophobicContact CB-CG2 4.1Å; L53-T120 HydrophobicContact CD2-CG2 3.76Å; E116-T120 PolarHBondContact O-N 2.83Å; E116-T120 PolarHBondContact O-OG1 2.89Å; V117-T120 PolarHBondContact O-N 2.84Å; T120-K122 VanDerWaalsContact C-N 3.27Å; T120-K122 PolarHBondContact O-N 3.4Å; T120-D123 PolarHBondContact O-N 3.32Å; T120-D123 VanDerWaalsContact O-N 3.15Å; T120-L124 PolarHBondContact O-N 3.02Å
121	Y	97.5	Very high	92.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-35.3	176	-143.7	-65.8	0	0	0	111.9	L53 V57 F82 T86 S89 Y109 V117 N119 D123 L124 L125 Y161	L53-Y121 HydrophobicContact CD1-CD2 4.24Å; L53-Y121 VanDerWaalsContact CD2-CA 3.49Å; L53-Y121 HydrophobicContact CD2-CD2 3.89Å; L53-Y121 HydrophobicContact CD2-CG 4.12Å; L53-Y121 VanDerWaalsContact CD2-N 3.33Å; L53-Y121 HydrophobicContact CG-CD2 4.41Å; V57-Y121 HydrophobicContact CG2-CE2 3.67Å; F82-Y121 HydrophobicContact CE2-CE1 4.27Å; F82-Y121 HydrophobicContact CZ-CE1 4.32Å; T86-Y121 VanDerWaalsContact CA-OH 3.23Å; T86-Y121 WeakPolarHBondContact CA-OH 3.32Å; T86-Y121 HydrophobicContact CG2-CE1 3.97Å; T86-Y121 PolarHBondContact N-OH 2.83Å; T86-Y121 WeakPolarHBondContact OG1-CE1 3.47Å; T86-Y121 PolarHBondContact OG1-OH 3.46Å; S89-Y121 VanDerWaalsContact OG-CD2 3.28Å; S89-Y121 WeakPolarHBondContact OG-CD2 3.43Å; S89-Y121 VanDerWaalsContact OG-CE2 3.23Å; S89-Y121 WeakPolarHBondContact OG-CE2 3.48Å; Y109-Y121 WeakPolarHBondContact OH-CD2 3.5Å; Y109-Y121 WeakPolarHBondContact OH-CE2 3.39Å; V117-Y121 WeakPolarHBondContact O-CB 3.43Å; V117-Y121 PolarHBondContact O-N 2.95Å; N119-Y121 PolarHBondContact O-N 3.05Å; Y121-D123 VanDerWaalsContact C-N 3.29Å; Y121-D123 PolarHBondContact O-N 3.15Å; Y121-L124 PolarHBondContact O-N 3.36Å; Y121-L125 HydrophobicContact CD1-CD1 3.75Å; Y121-L125 HydrophobicContact CD1-CG 3.79Å; Y121-L125 HydrophobicContact CE1-CD1 4.14Å; Y121-L125 HydrophobicContact CE1-CD2 4.33Å; Y121-L125 HydrophobicContact CE1-CG 3.95Å; Y121-L125 WeakPolarHBondContact O-CB 3.46Å; Y121-L125 WeakPolarHBondContact O-CG 3.02Å; Y121-L125 PolarHBondContact O-N 2.76Å; Y121-Y161 AromaticContact CD1-CD1 3.94Å; Y121-Y161 HydrophobicContact CD1-CD1 3.94Å; Y121-Y161 AromaticContact CD1-CE1 3.59Å; Y121-Y161 HydrophobicContact CD1-CE1 3.59Å; Y121-Y161 AromaticContact CD2-CE1 3.98Å; Y121-Y161 HydrophobicContact CD2-CE1 3.98Å; Y121-Y161 HydrophobicContact CE1-CD1 4.29Å; Y121-Y161 AromaticContact CE1-CE1 3.99Å; Y121-Y161 HydrophobicContact CE1-CE1 3.99Å; Y121-Y161 HydrophobicContact CE2-CE1 4.32Å; Y121-Y161 HydrophobicContact CG-CD1 4.36Å; Y121-Y161 AromaticContact CG-CE1 3.61Å; Y121-Y161 HydrophobicContact CG-CE1 3.61Å
122	K	96.8	Very high	93.1	Very high	88 Å²	88	53.8 Å²	53.8	38%	0.383	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-40.7	175.8	-173.9	-170.1	170.9	-171	0	111.5	N119 T120 T126 S160	N119-K122 WeakPolarHBondContact O-CB 3.33Å; N119-K122 PolarHBondContact O-N 3.45Å; T120-K122 VanDerWaalsContact C-N 3.27Å; T120-K122 PolarHBondContact O-N 3.4Å; K122-T126 WeakPolarHBondContact O-CB 3.16Å; K122-T126 PolarHBondContact O-N 2.76Å; K122-T126 PolarHBondContact O-OG1 2.88Å; K122-S160 VanDerWaalsContact CA-O 3.29Å; K122-S160 WeakPolarHBondContact CA-O 3.35Å; K122-S160 WeakPolarHBondContact CB-O 2.89Å
123	D	96.6	Very high	92.7	Very high	90 Å²	90	52.4 Å²	52.4	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-70.9	-43.3	179.4	-59.7	-28.2	0	0	0	110.3	V50 T120 Y121 L125 T126 S127	V50-D123 HydrophobicContact CG2-CB 3.95Å; T120-D123 PolarHBondContact O-N 3.32Å; T120-D123 VanDerWaalsContact O-N 3.15Å; Y121-D123 VanDerWaalsContact C-N 3.29Å; Y121-D123 PolarHBondContact O-N 3.15Å; D123-L125 PolarHBondContact O-N 3.15Å; D123-T126 PolarHBondContact O-N 3.41Å; D123-T126 VanDerWaalsContact O-N 3.16Å; D123-S127 PolarHBondContact O-N 3.37Å
124	L	97.4	Very high	92.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57	-49.1	173.3	-177.4	58.7	0	0	0	112	V50 L53 A54 F82 T120 Y121 T126 S127 V128 T402 T404	V50-L124 HydrophobicContact CG1-CB 4.17Å; V50-L124 HydrophobicContact CG1-CD1 3.91Å; L53-L124 HydrophobicContact CD2-CB 4.48Å; L53-L124 HydrophobicContact CD2-CD2 4.13Å; L53-L124 HydrophobicContact CG-CD2 4Å; A54-L124 HydrophobicContact CB-CD1 3.81Å; A54-L124 HydrophobicContact CB-CD2 4.32Å; F82-L124 HydrophobicContact CE2-CD2 3.9Å; F82-L124 HydrophobicContact CE2-CG 4.02Å; F82-L124 HydrophobicContact CZ-CG 4.3Å; T120-L124 PolarHBondContact O-N 3.02Å; Y121-L124 PolarHBondContact O-N 3.36Å; L124-T126 VanDerWaalsContact C-N 3.29Å; L124-T126 PolarHBondContact O-N 3.11Å; L124-S127 PolarHBondContact O-N 3.07Å; L124-V128 HydrophobicContact CD1-CG2 3.9Å; L124-V128 HydrophobicContact CG-CG2 4.45Å; L124-V128 WeakPolarHBondContact O-CB 3.27Å; L124-V128 WeakPolarHBondContact O-CG2 3.38Å; L124-V128 PolarHBondContact O-N 3.49Å; L124-T402 HydrophobicContact CD1-CG2 4.1Å; L124-T404 WeakPolarHBondContact CD1-OG1 3.41Å
125	L	95.7	Very high	93.3	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.089	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-42.7	175.9	-80.6	166.8	0	0	0	111.7	F82 T86 Y121 D123 T129 Y161	F82-L125 HydrophobicContact CE1-CD2 3.68Å; F82-L125 HydrophobicContact CZ-CD2 3.66Å; F82-L125 HydrophobicContact CZ-CG 4.23Å; T86-L125 HydrophobicContact CG2-CD1 4.2Å; T86-L125 HydrophobicContact CG2-CD2 3.9Å; Y121-L125 HydrophobicContact CD1-CD1 3.75Å; Y121-L125 HydrophobicContact CD1-CG 3.79Å; Y121-L125 HydrophobicContact CE1-CD1 4.14Å; Y121-L125 HydrophobicContact CE1-CD2 4.33Å; Y121-L125 HydrophobicContact CE1-CG 3.95Å; Y121-L125 WeakPolarHBondContact O-CB 3.46Å; Y121-L125 WeakPolarHBondContact O-CG 3.02Å; Y121-L125 PolarHBondContact O-N 2.76Å; D123-L125 PolarHBondContact O-N 3.15Å; L125-T129 WeakPolarHBondContact O-CB 3.43Å; L125-T129 WeakPolarHBondContact O-CG2 3.41Å; L125-T129 PolarHBondContact O-N 3.17Å; L125-T129 PolarHBondContact O-OG1 2.84Å; L125-Y161 HydrophobicContact CD1-CD1 4.11Å
126	T	94.8	Very high	93.7	Very high	66 Å²	66	43.7 Å²	43.7	41%	0.405	24%	0.238	S	C	.	.	H	α-helix	trans	-65.2	-41.3	-179.8	-59.7	0	0	0	0	111.2	K122 D123 L124 A130 K162	K122-T126 WeakPolarHBondContact O-CB 3.16Å; K122-T126 PolarHBondContact O-N 2.76Å; K122-T126 PolarHBondContact O-OG1 2.88Å; D123-T126 PolarHBondContact O-N 3.41Å; D123-T126 VanDerWaalsContact O-N 3.16Å; L124-T126 VanDerWaalsContact C-N 3.29Å; L124-T126 PolarHBondContact O-N 3.11Å; T126-A130 PolarHBondContact O-N 3.01Å; T126-K162 PolarHBondContact OG1-NZ 3.31Å
127	S	95.4	Very high	93.9	Very high	32 Å²	32	40.1 Å²	40.1	22%	0.224	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-50.6	175.4	179.7	0	0	0	0	112.2	D123 L124 T129 A130 K133 T402	D123-S127 PolarHBondContact O-N 3.37Å; L124-S127 PolarHBondContact O-N 3.07Å; S127-T129 PolarHBondContact O-N 2.86Å; S127-A130 WeakPolarHBondContact O-CB 3.4Å; S127-A130 PolarHBondContact O-N 3.07Å; S127-K133 WeakPolarHBondContact O-CD 2.88Å; S127-K133 WeakPolarHBondContact O-CE 3.46Å; S127-K133 PolarHBondContact O-NZ 2.93Å; S127-K133 PolarHBondContact OG-NZ 3.26Å; S127-K133 VanDerWaalsContact OG-NZ 3.08Å; S127-T402 WeakPolarHBondContact OG-CG2 3.44Å
128	V	94.1	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.9	-30.1	-171.7	169.5	0	0	0	0	112.7	F82 L124 L135 T404 L406	F82-V128 HydrophobicContact CD1-CG1 4.05Å; F82-V128 HydrophobicContact CE1-CB 4.22Å; F82-V128 HydrophobicContact CE1-CG1 3.79Å; F82-V128 HydrophobicContact CZ-CB 4.24Å; F82-V128 HydrophobicContact CZ-CG1 4.22Å; F82-V128 HydrophobicContact CZ-CG2 4.47Å; L124-V128 HydrophobicContact CD1-CG2 3.9Å; L124-V128 HydrophobicContact CG-CG2 4.45Å; L124-V128 WeakPolarHBondContact O-CB 3.27Å; L124-V128 WeakPolarHBondContact O-CG2 3.38Å; L124-V128 PolarHBondContact O-N 3.49Å; V128-L135 HydrophobicContact CG1-CD2 3.58Å; V128-T404 HydrophobicContact CG2-CG2 4.07Å; V128-T404 WeakPolarHBondContact CG2-OG1 3.49Å; V128-L406 HydrophobicContact CG1-CD2 3.53Å
129	T	90.4	Very high	93.9	Very high	58 Å²	58	39.4 Å²	39.4	36%	0.356	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	11	-179.7	65.5	0	0	0	0	113.8	L125 S127	L125-T129 WeakPolarHBondContact O-CB 3.43Å; L125-T129 WeakPolarHBondContact O-CG2 3.41Å; L125-T129 PolarHBondContact O-N 3.17Å; L125-T129 PolarHBondContact O-OG1 2.84Å; S127-T129 PolarHBondContact O-N 2.86Å
130	A	93	Very high	94	Very high	13 Å²	13	36.6 Å²	36.6	11%	0.107	21%	0.206	C	C	.	.			trans	-57.5	142.7	179.1	0	0	0	0	0	111.2	T126 S127 E132 K133	T126-A130 PolarHBondContact O-N 3.01Å; S127-A130 WeakPolarHBondContact O-CB 3.4Å; S127-A130 PolarHBondContact O-N 3.07Å; A130-E132 HydrophobicContact CB-CG 4.36Å; A130-E132 WeakPolarHBondContact CB-OE1 3.36Å; A130-E132 WeakPolarHBondContact CB-OE2 3.45Å; A130-E132 PolarHBondContact O-N 3.3Å; A130-E132 VanDerWaalsContact O-N 3.08Å; A130-K133 HydrophobicContact CB-CG 4.37Å; A130-K133 PolarHBondContact O-N 2.81Å
131	P	88.3	Confident	94	Very high	114 Å²	114	35.7 Å²	35.7	74%	0.74	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-52.7	-34.3	-171.7	-28.8	35.9	0	0	0	115.2	K133	P131-K133 VanDerWaalsContact C-N 3.3Å; P131-K133 PolarHBondContact O-N 3.01Å
132	E	90.3	Very high	94.1	Very high	113 Å²	113	35.7 Å²	35.7	53%	0.528	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-66.2	-24.6	179.8	61.7	-86.4	-159.5	0	0	113.8	A130 S134 G269	A130-E132 HydrophobicContact CB-CG 4.36Å; A130-E132 WeakPolarHBondContact CB-OE1 3.36Å; A130-E132 WeakPolarHBondContact CB-OE2 3.45Å; A130-E132 PolarHBondContact O-N 3.3Å; A130-E132 VanDerWaalsContact O-N 3.08Å; E132-S134 VanDerWaalsContact C-N 3.25Å; E132-S134 PolarHBondContact O-N 2.86Å; E132-S134 VanDerWaalsContact O-N 3.17Å; E132-G269 WeakPolarHBondContact O-CA 3.18Å
133	K	85.1	Confident	94.1	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.035	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-80.7	8.8	-170.8	-59.4	-160.5	173.3	171.8	0	115.1	S127 A130 P131 L135 F212 G269 V271 D399	S127-K133 WeakPolarHBondContact O-CD 2.88Å; S127-K133 WeakPolarHBondContact O-CE 3.46Å; S127-K133 PolarHBondContact O-NZ 2.93Å; S127-K133 PolarHBondContact OG-NZ 3.26Å; S127-K133 VanDerWaalsContact OG-NZ 3.08Å; A130-K133 HydrophobicContact CB-CG 4.37Å; A130-K133 PolarHBondContact O-N 2.81Å; P131-K133 VanDerWaalsContact C-N 3.3Å; P131-K133 PolarHBondContact O-N 3.01Å; K133-L135 PolarHBondContact O-N 2.82Å; K133-F212 VanDerWaalsContact O-CE2 3.26Å; K133-F212 WeakPolarHBondContact O-CE2 3.46Å; K133-G269 WeakPolarHBondContact CG-O 3.02Å; K133-V271 HydrophobicContact CB-CG2 4.43Å; K133-D399 WeakPolarHBondContact CD-OD1 3.4Å; K133-D399 WeakPolarHBondContact CE-OD1 3.5Å; K133-D399 VanDerWaalsContact NZ-CG 3.32Å; K133-D399 IonicContact NZ-OD1 2.79Å; K133-D399 PolarHBondContact NZ-OD1 2.83Å; K133-D399 IonicContact NZ-OD2 3.49Å; K133-D399 PolarHBondContact NZ-OD2 3.37Å
134	S	90.7	Very high	94	Very high	37 Å²	37	28.7 Å²	28.7	26%	0.259	17%	0.167	S	C	.	.			trans	50.2	-2.9	-177	-72	0	0	0	0	117.4	E132 K213	E132-S134 VanDerWaalsContact C-N 3.25Å; E132-S134 PolarHBondContact O-N 2.86Å; E132-S134 VanDerWaalsContact O-N 3.17Å; S134-K213 WeakPolarHBondContact CB-O 3.49Å
135	L	94.6	Very high	93.8	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	137.6	179.4	-178.3	64.5	0	0	0	109.8	V128 K133 F212 L406 F407	V128-L135 HydrophobicContact CG1-CD2 3.58Å; K133-L135 PolarHBondContact O-N 2.82Å; L135-F212 HydrophobicContact CB-CD2 4.15Å; L135-F212 HydrophobicContact CD1-CD2 4.32Å; L135-L406 HydrophobicContact CD2-CD2 4.02Å; L135-F407 HydrophobicContact CD1-CD2 4.43Å; L135-F407 HydrophobicContact CD1-CE2 3.65Å
136	K	95.1	Very high	93.5	Very high	41 Å²	41	43.4 Å²	43.4	18%	0.178	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	101.1	167.7	-57.1	-68.6	157	-109.9	0	107.1	K188 A210 H211	K136-K188 HydrophobicContact CD-CD 4.3Å; K136-K188 HydrophobicContact CD-CG 4.44Å; K136-A210 CarbonylContact O-C 3.58Å; K136-A210 VanDerWaalsContact O-CA 3.3Å; K136-A210 WeakPolarHBondContact O-CA 3.45Å; K136-H211 PolarHBondContact N-O 2.81Å; K136-H211 PolarHBondContact O-N 3.22Å
137	S	93.6	Very high	93.3	Very high	23 Å²	23	40.9 Å²	40.9	16%	0.161	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.1	-178.9	-176.4	0	0	0	0	110.1	A209	S137-A209 CarbonylContact C-O 3.47Å; S137-A209 WeakPolarHBondContact CA-O 3.32Å
138	A	93.8	Very high	93.1	Very high	3 Å²	3	50.2 Å²	50.2	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.1	179.7	0	0	0	0	0	109.1	W182 Q186 A209	A138-W182 HydrophobicContact CB-CH2 3.63Å; A138-W182 HydrophobicContact CB-CZ2 4.14Å; A138-W182 HydrophobicContact CB-CZ3 4.27Å; A138-Q186 HydrophobicContact CB-CB 3.59Å; A138-Q186 HydrophobicContact CB-CG 4.08Å; A138-A209 HydrophobicContact CB-CB 4.32Å; A138-A209 PolarHBondContact N-O 2.83Å; A138-A209 PolarHBondContact O-N 3.39Å
139	S	96.9	Very high	92.9	Very high	20 Å²	20	53.9 Å²	53.9	14%	0.14	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.2	178.3	-51	0	0	0	0	108.7	S83 M163 A207	S83-S139 WeakPolarHBondContact CA-OG 3.48Å; S83-S139 WeakPolarHBondContact O-CB 3.33Å; S83-S139 PolarHBondContact O-OG 2.9Å; S139-M163 VanDerWaalsContact C-SD 3.54Å; S139-A207 CarbonylContact C-O 3.49Å; S139-A207 WeakPolarHBondContact CA-O 3.3Å
140	R	96.8	Very high	92.8	Very high	23 Å²	23	55.8 Å²	55.8	9%	0.087	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	145	176.2	-152	169.4	-164.5	-172.2	-6.1	112.4	I142 M163 R164 W182 A207	R140-I142 HydrophobicContact CB-CD1 4.15Å; R140-I142 HydrophobicContact CG-CD1 4.45Å; R140-I142 HydrophobicContact CG-CG1 4.45Å; R140-M163 VanDerWaalsContact CA-SD 3.58Å; R140-R164 PolarHBondContact NE-O 2.51Å; R140-W182 HydrophobicContact CB-CE3 4.43Å; R140-W182 HydrophobicContact CB-CH2 3.48Å; R140-W182 VanDerWaalsContact CB-CH2 3.48Å; R140-W182 HydrophobicContact CB-CZ2 3.85Å; R140-W182 HydrophobicContact CB-CZ3 3.77Å; R140-W182 HydrophobicContact CG-CH2 4.28Å; R140-W182 HydrophobicContact CG-CZ2 4.2Å; R140-A207 HydrophobicContact CB-CB 4.41Å; R140-A207 PolarHBondContact N-O 3.09Å; R140-A207 PolarHBondContact O-N 3.2Å
141	I	97.9	Very high	92.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.5	166.1	-56.1	169.9	0	0	0	107.2	L91 L143 F153 L157 M163 L165 R166 I204 L206	L91-I141 HydrophobicContact CB-CD1 3.88Å; L91-I141 HydrophobicContact CD1-CD1 4.26Å; L91-I141 HydrophobicContact CD1-CG2 4.29Å; I141-L143 HydrophobicContact CG2-CD2 3.87Å; I141-L143 HydrophobicContact CG2-CG 4.34Å; I141-F153 HydrophobicContact CD1-CZ 4.27Å; I141-L157 HydrophobicContact CD1-CD1 4.26Å; I141-L157 HydrophobicContact CD1-CD2 4.29Å; I141-M163 HydrophobicContact CD1-CE 3.58Å; I141-M163 HydrophobicContact CG1-CE 3.73Å; I141-M163 HydrophobicContact CG1-SD 4.29Å; I141-L165 HydrophobicContact CB-CD2 3.74Å; I141-L165 HydrophobicContact CD1-CD2 4.24Å; I141-L165 HydrophobicContact CG2-CD2 3.96Å; I141-R166 PolarHBondContact O-N 2.99Å; I141-I204 HydrophobicContact CG2-CG2 3.95Å; I141-L206 HydrophobicContact CB-CD2 4.41Å; I141-L206 HydrophobicContact CG1-CD2 3.78Å; I141-L206 HydrophobicContact CG2-CD2 4.41Å
142	I	97.8	Very high	92.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.7	175.3	-58.5	103.9	0	0	0	108.3	R140 R166 L168 I179 I204 L205 A207	R140-I142 HydrophobicContact CB-CD1 4.15Å; R140-I142 HydrophobicContact CG-CD1 4.45Å; R140-I142 HydrophobicContact CG-CG1 4.45Å; I142-R166 CarbonylContact C-O 3.47Å; I142-R166 WeakPolarHBondContact CA-O 3.23Å; I142-R166 HydrophobicContact CB-CB 4.44Å; I142-R166 HydrophobicContact CG1-CB 3.98Å; I142-R166 HydrophobicContact CG1-CG 4.46Å; I142-R166 HydrophobicContact CG2-CB 4.38Å; I142-R166 HydrophobicContact CG2-CG 4.32Å; I142-L168 HydrophobicContact CG2-CD1 4.4Å; I142-L168 HydrophobicContact CG2-CD2 3.61Å; I142-L168 HydrophobicContact CG2-CG 3.79Å; I142-I179 HydrophobicContact CG1-CD1 4.35Å; I142-I179 HydrophobicContact CG2-CD1 4.4Å; I142-I204 CarbonylContact O-C 3.56Å; I142-I204 WeakPolarHBondContact O-CA 3.29Å; I142-L205 HydrophobicContact CB-CB 4.12Å; I142-L205 HydrophobicContact CB-CD2 4.36Å; I142-L205 HydrophobicContact CB-CG 4.41Å; I142-L205 HydrophobicContact CD1-CD2 4.04Å; I142-L205 HydrophobicContact CD1-CG 4.05Å; I142-L205 PolarHBondContact N-O 3.27Å; I142-L205 PolarHBondContact O-N 3.33Å; I142-A207 HydrophobicContact CD1-CB 3.57Å
143	L	96.9	Very high	92.1	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151.2	-175.2	-58.3	177	0	0	0	110.6	I141 L147 M149 L165 R166 L168 S203 I204 I345 I350	I141-L143 HydrophobicContact CG2-CD2 3.87Å; I141-L143 HydrophobicContact CG2-CG 4.34Å; L143-L147 HydrophobicContact CB-CD1 3.93Å; L143-L147 HydrophobicContact CD1-CD1 4.3Å; L143-M149 HydrophobicContact CD1-SD 4.03Å; L143-L165 HydrophobicContact CD1-CD1 4.33Å; L143-L165 HydrophobicContact CD1-CD2 4.49Å; L143-R166 PolarHBondContact N-O 3.31Å; L143-L168 WeakPolarHBondContact O-CG 3.47Å; L143-L168 PolarHBondContact O-N 2.77Å; L143-S203 CarbonylContact C-O 3.57Å; L143-S203 WeakPolarHBondContact CA-O 3.44Å; L143-I204 HydrophobicContact CD2-CB 4.4Å; L143-I204 HydrophobicContact CD2-CD1 4.46Å; L143-I204 HydrophobicContact CD2-CG1 3.83Å; L143-I204 HydrophobicContact CD2-CG2 4.2Å; L143-I345 HydrophobicContact CD1-CG2 4.22Å; L143-I350 HydrophobicContact CD2-CD1 4.5Å
144	E	95.9	Very high	92.3	Very high	31 Å²	31	54.9 Å²	54.9	15%	0.145	26%	0.263	C	S	.	.			trans	-56	159.2	172.2	63.8	-180	100.7	0	0	113.7	L147 M167 V202 S203 K348 I350	E144-L147 HydrophobicContact CG-CD1 3.76Å; E144-L147 HydrophobicContact CG-CD2 3.81Å; E144-L147 HydrophobicContact CG-CG 3.72Å; E144-M167 WeakPolarHBondContact O-CG 3.43Å; E144-V202 VanDerWaalsContact CB-O 3.23Å; E144-V202 WeakPolarHBondContact CB-O 3.31Å; E144-S203 PolarHBondContact N-O 3.3Å; E144-S203 WeakPolarHBondContact OE1-CB 3.46Å; E144-S203 PolarHBondContact OE1-OG 2.88Å; E144-K348 IonicContact OE2-NZ 3.18Å; E144-K348 PolarHBondContact OE2-NZ 3.37Å; E144-I350 WeakPolarHBondContact OE1-CG2 3.26Å
145	K	93.1	Very high	92.3	Very high	99 Å²	99	56.4 Å²	56.4	43%	0.43	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	152.1	-177.7	69.6	-169.8	179.3	-172.1	0	112.4	L147 L168	K145-L147 PolarHBondContact O-N 3.39Å; K145-L168 VanDerWaalsContact CA-O 3.27Å; K145-L168 WeakPolarHBondContact CA-O 3.2Å; K145-L168 HydrophobicContact CB-CB 4.49Å; K145-L168 WeakPolarHBondContact CB-O 3.37Å
146	R	87.9	Confident	92.2	Very high	227 Å²	227	60.8 Å²	60.8	86%	0.857	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	35.3	169.9	-53.6	178.5	-178.3	179.4	-1.2	114.4
147	L	90.6	Very high	92.2	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.068	29%	0.285	C	S	.	.			trans	-82.5	137.5	170.5	-68.3	-178.7	0	0	0	111.8	L143 E144 K145 M149 M167 T346 K348 I350	L143-L147 HydrophobicContact CB-CD1 3.93Å; L143-L147 HydrophobicContact CD1-CD1 4.3Å; E144-L147 HydrophobicContact CG-CD1 3.76Å; E144-L147 HydrophobicContact CG-CD2 3.81Å; E144-L147 HydrophobicContact CG-CG 3.72Å; K145-L147 PolarHBondContact O-N 3.39Å; L147-M149 PolarHBondContact O-N 3.48Å; L147-M167 HydrophobicContact CB-CE 4.09Å; L147-M167 HydrophobicContact CB-SD 4.4Å; L147-M167 WeakPolarHBondContact O-CE 3.47Å; L147-T346 HydrophobicContact CD1-CG2 4.34Å; L147-T346 HydrophobicContact CD2-CG2 4.22Å; L147-K348 HydrophobicContact CD2-CB 4.23Å; L147-K348 HydrophobicContact CD2-CD 3.71Å; L147-K348 HydrophobicContact CD2-CG 4.49Å; L147-I350 HydrophobicContact CD1-CD1 4.46Å; L147-I350 HydrophobicContact CD1-CG2 4.15Å; L147-I350 HydrophobicContact CD2-CG2 3.98Å
148	R	91.2	Very high	92.1	Very high	228 Å²	228	61 Å²	61	86%	0.86	29%	0.293	S	S	*	.			trans	-87.2	101.5	166.8	-69.2	-176.8	177.8	172.6	-0.8	108.7	T346	R148-T346 VanDerWaalsContact O-CB 3.31Å; R148-T346 WeakPolarHBondContact O-CB 3.42Å; R148-T346 PolarHBondContact O-OG1 3.01Å
149	M	90.1	Very high	92.1	Very high	77 Å²	77	67.4 Å²	67.4	38%	0.379	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-82	144.9	-177.7	-58.6	-167.7	-50.5	0	0	111.9	L143 L147 L165 M167 I345	L143-M149 HydrophobicContact CD1-SD 4.03Å; L147-M149 PolarHBondContact O-N 3.48Å; M149-L165 HydrophobicContact CE-CD1 4.35Å; M149-L165 HydrophobicContact SD-CD1 3.76Å; M149-M167 HydrophobicContact CE-CE 4.34Å; M149-M167 HydrophobicContact CG-CE 3.82Å; M149-M167 HydrophobicContact SD-CE 3.83Å; M149-I345 CarbonylContact C-O 3.52Å; M149-I345 WeakPolarHBondContact CA-O 3.37Å
150	K	89.6	Confident	92	Very high	98 Å²	98	66.8 Å²	66.8	43%	0.426	32%	0.316	S	S	.	.			trans	-78.7	134	168.2	-68.5	-178.5	175.5	175.7	0	109.7	G152 T343 I345	K150-G152 VanDerWaalsContact C-N 3.31Å; K150-G152 PolarHBondContact O-N 3.09Å; K150-T343 WeakPolarHBondContact CD-O 3.46Å; K150-T343 VanDerWaalsContact CE-O 3.24Å; K150-T343 WeakPolarHBondContact CE-O 3.28Å; K150-T343 PolarHBondContact NZ-O 2.62Å; K150-I345 PolarHBondContact N-O 3.47Å
151	P	80.3	Confident	92	Very high	116 Å²	116	66.1 Å²	66.1	75%	0.753	31%	0.314	S	S	*	.	H	α-helix	trans	-61	-33.8	-174.7	-24.8	33	0	0	0	114.8	F153 H154	P151-F153 VanDerWaalsContact C-N 3.33Å; P151-F153 PolarHBondContact O-N 3.45Å; P151-H154 PolarHBondContact O-N 3.2Å
152	G	85.9	Confident	91.7	Very high	38 Å²	38	72.2 Å²	72.2	39%	0.392	34%	0.34	S	S	.	.	H	α-helix	trans	-65.4	-28.6	-172.4	0	0	0	0	0	115	K150 S155 Q156	K150-G152 VanDerWaalsContact C-N 3.31Å; K150-G152 PolarHBondContact O-N 3.09Å; G152-S155 PolarHBondContact O-OG 2.92Å; G152-Q156 WeakPolarHBondContact O-CG 3.4Å
153	F	90.5	Very high	91.5	Very high	6 Å²	6	72.6 Å²	72.6	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-70.7	-43.4	179.4	173.2	-119.8	0	0	0	111.9	G90 L93 G94 I141 P151 S155 Q156 L157 L165 I345	G90-F153 WeakPolarHBondContact O-CE2 3.35Å; L93-F153 HydrophobicContact CB-CD2 3.89Å; L93-F153 HydrophobicContact CB-CE2 3.83Å; G94-F153 VanDerWaalsContact N-CE2 3.31Å; I141-F153 HydrophobicContact CD1-CZ 4.27Å; P151-F153 VanDerWaalsContact C-N 3.33Å; P151-F153 PolarHBondContact O-N 3.45Å; F153-S155 PolarHBondContact O-N 3.44Å; F153-Q156 PolarHBondContact O-N 3.35Å; F153-L157 HydrophobicContact CZ-CD2 4.38Å; F153-L157 WeakPolarHBondContact O-CB 3.31Å; F153-L157 PolarHBondContact O-N 2.96Å; F153-L165 HydrophobicContact CD1-CD1 3.65Å; F153-L165 HydrophobicContact CE1-CD1 3.51Å; F153-L165 HydrophobicContact CE1-CD2 3.65Å; F153-L165 HydrophobicContact CE1-CG 4.13Å; F153-L165 HydrophobicContact CZ-CD2 4.19Å; F153-I345 HydrophobicContact CD1-CB 4.29Å; F153-I345 HydrophobicContact CD1-CD1 4.39Å; F153-I345 HydrophobicContact CD1-CG1 3.86Å; F153-I345 HydrophobicContact CD1-CG2 3.99Å; F153-I345 HydrophobicContact CD2-CG1 4.3Å; F153-I345 HydrophobicContact CE1-CB 4.49Å; F153-I345 HydrophobicContact CE1-CD1 3.81Å; F153-I345 HydrophobicContact CE1-CG1 3.79Å; F153-I345 HydrophobicContact CE1-CG2 4.08Å; F153-I345 HydrophobicContact CE2-CD1 4.36Å; F153-I345 HydrophobicContact CE2-CG1 4.26Å; F153-I345 HydrophobicContact CG-CG1 4.11Å; F153-I345 HydrophobicContact CZ-CD1 3.81Å; F153-I345 HydrophobicContact CZ-CG1 4.02Å
154	H	89.2	Confident	91.2	Very high	68 Å²	68	80.1 Å²	80.1	32%	0.315	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-43	-176.9	-179.9	50.9	0	0	0	112.5	P151 L157 E158	P151-H154 PolarHBondContact O-N 3.2Å; H154-L157 PolarHBondContact O-N 2.79Å; H154-E158 IonicContact NE2-OE2 2.73Å; H154-E158 PolarHBondContact O-N 3.18Å
155	S	90.6	Very high	90.9	Very high	69 Å²	69	79.7 Å²	79.7	48%	0.483	37%	0.369	S	S	.	.	H	α-helix	trans	-66.1	-39.9	-178.5	60	0	0	0	0	112.4	G152 F153 K159	G152-S155 PolarHBondContact O-OG 2.92Å; F153-S155 PolarHBondContact O-N 3.44Å; S155-K159 VanDerWaalsContact O-CB 3.23Å; S155-K159 WeakPolarHBondContact O-CB 3.4Å; S155-K159 PolarHBondContact O-N 3.05Å
156	Q	92.1	Very high	90.9	Very high	96 Å²	96	78.1 Å²	78.1	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-67.6	-40.9	176.2	-66.6	-177.8	29	0	0	111.5	L93 G152 F153 E158 K159 S160	L93-Q156 HydrophobicContact CD1-CB 3.92Å; L93-Q156 HydrophobicContact CD2-CB 4.42Å; G152-Q156 WeakPolarHBondContact O-CG 3.4Å; F153-Q156 PolarHBondContact O-N 3.35Å; Q156-E158 PolarHBondContact O-N 3.38Å; Q156-K159 PolarHBondContact O-N 2.94Å; Q156-S160 WeakPolarHBondContact O-CB 3.23Å; Q156-S160 PolarHBondContact O-N 3.46Å
157	L	94.3	Very high	91.3	Very high	0 Å²	0	70 Å²	70	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-45.4	177.5	-163.8	69.5	0	0	0	112.2	G90 L93 I141 F153 H154 Y161 K162 M163 L165	G90-L157 WeakPolarHBondContact O-CD1 3.3Å; L93-L157 HydrophobicContact CD1-CD1 4.16Å; I141-L157 HydrophobicContact CD1-CD1 4.26Å; I141-L157 HydrophobicContact CD1-CD2 4.29Å; F153-L157 HydrophobicContact CZ-CD2 4.38Å; F153-L157 WeakPolarHBondContact O-CB 3.31Å; F153-L157 PolarHBondContact O-N 2.96Å; H154-L157 PolarHBondContact O-N 2.79Å; L157-Y161 HydrophobicContact CD1-CD2 4.06Å; L157-Y161 HydrophobicContact CD1-CG 4.48Å; L157-Y161 WeakPolarHBondContact O-CA 3.33Å; L157-Y161 WeakPolarHBondContact O-CB 3.4Å; L157-Y161 PolarHBondContact O-N 3.12Å; L157-K162 PolarHBondContact O-N 3.03Å; L157-M163 HydrophobicContact CD1-CE 3.47Å; L157-M163 VanDerWaalsContact CD1-CE 3.47Å; L157-M163 HydrophobicContact CD2-CE 4.02Å; L157-M163 HydrophobicContact CD2-CG 4.32Å; L157-M163 HydrophobicContact CG-CB 4.19Å; L157-M163 HydrophobicContact CG-CE 3.95Å; L157-M163 HydrophobicContact CG-CG 4.5Å; L157-L165 HydrophobicContact CD2-CD1 4.49Å; L157-L165 HydrophobicContact CD2-CD2 3.37Å; L157-L165 HydrophobicContact CD2-CG 3.65Å
158	E	93.3	Very high	91.6	Very high	70 Å²	70	70.3 Å²	70.3	33%	0.327	34%	0.335	S	S	.	.	H	α-helix	trans	-68.4	-40.2	177.9	-170.7	166.5	-148	0	0	111.4	H154 Q156 K162 R164	H154-E158 IonicContact NE2-OE2 2.73Å; H154-E158 PolarHBondContact O-N 3.18Å; Q156-E158 PolarHBondContact O-N 3.38Å; E158-K162 VanDerWaalsContact O-CA 3.24Å; E158-K162 WeakPolarHBondContact O-CA 3.35Å; E158-K162 PolarHBondContact O-N 2.76Å; E158-K162 VanDerWaalsContact O-N 3.08Å; E158-R164 IonicContact OE1-CZ 2.66Å; E158-R164 VanDerWaalsContact OE1-CZ 3.3Å; E158-R164 IonicContact OE1-NE 2.69Å; E158-R164 PolarHBondContact OE1-NE 2.94Å; E158-R164 IonicContact OE1-NH2 3.03Å; E158-R164 PolarHBondContact OE1-NH2 2.89Å
159	K	93.8	Very high	91.8	Very high	136 Å²	136	62.5 Å²	62.5	59%	0.591	32%	0.315	S	S	*	.	H	α-helix	trans	-63.3	-48.8	179.9	-177.9	-175.2	176.5	-171.3	0	113	S155 Q156	S155-K159 VanDerWaalsContact O-CB 3.23Å; S155-K159 WeakPolarHBondContact O-CB 3.4Å; S155-K159 PolarHBondContact O-N 3.05Å; Q156-K159 PolarHBondContact O-N 2.94Å
160	S	94.9	Very high	91.9	Very high	7 Å²	7	60.6 Å²	60.6	5%	0.049	32%	0.315	C	S	.	.	H	α-helix	trans	-89.9	-36.1	-172.2	-72	0	0	0	0	113.1	H118 K122 Q156	H118-S160 VanDerWaalsContact O-CB 3.24Å; H118-S160 WeakPolarHBondContact O-CB 3.41Å; H118-S160 PolarHBondContact O-OG 3.32Å; K122-S160 VanDerWaalsContact CA-O 3.29Å; K122-S160 WeakPolarHBondContact CA-O 3.35Å; K122-S160 WeakPolarHBondContact CB-O 2.89Å; Q156-S160 WeakPolarHBondContact O-CB 3.23Å; Q156-S160 PolarHBondContact O-N 3.46Å
161	Y	95.6	Very high	92.2	Very high	9 Å²	9	59.7 Å²	59.7	4%	0.035	32%	0.315	C	S	.	.	H	α-helix	trans	-111.5	-5.2	-172.1	-62.9	-89.1	0	0	0	114	T86 S89 L93 H118 Y121 L125 L157 M163	T86-Y161 HydrophobicContact CG2-CD1 3.89Å; S89-Y161 PolarHBondContact O-OH 3.49Å; S89-Y161 WeakPolarHBondContact OG-CE1 3.38Å; S89-Y161 PolarHBondContact OG-OH 3.18Å; L93-Y161 HydrophobicContact CD1-CD2 4Å; L93-Y161 HydrophobicContact CD1-CE2 3.69Å; L93-Y161 HydrophobicContact CG-CE2 4.3Å; H118-Y161 PolarHBondContact CE1-OH 2.84Å; H118-Y161 AromaticContact ND1-CE2 3.77Å; H118-Y161 AromaticContact ND1-CZ 3.67Å; H118-Y161 PolarHBondContact ND1-OH 2.81Å; Y121-Y161 AromaticContact CD1-CD1 3.94Å; Y121-Y161 HydrophobicContact CD1-CD1 3.94Å; Y121-Y161 AromaticContact CD1-CE1 3.59Å; Y121-Y161 HydrophobicContact CD1-CE1 3.59Å; Y121-Y161 AromaticContact CD2-CE1 3.98Å; Y121-Y161 HydrophobicContact CD2-CE1 3.98Å; Y121-Y161 HydrophobicContact CE1-CD1 4.29Å; Y121-Y161 AromaticContact CE1-CE1 3.99Å; Y121-Y161 HydrophobicContact CE1-CE1 3.99Å; Y121-Y161 HydrophobicContact CE2-CE1 4.32Å; Y121-Y161 HydrophobicContact CG-CD1 4.36Å; Y121-Y161 AromaticContact CG-CE1 3.61Å; Y121-Y161 HydrophobicContact CG-CE1 3.61Å; L125-Y161 HydrophobicContact CD1-CD1 4.11Å; L157-Y161 HydrophobicContact CD1-CD2 4.06Å; L157-Y161 HydrophobicContact CD1-CG 4.48Å; L157-Y161 WeakPolarHBondContact O-CA 3.33Å; L157-Y161 WeakPolarHBondContact O-CB 3.4Å; L157-Y161 PolarHBondContact O-N 3.12Å; Y161-M163 PolarHBondContact O-N 3.01Å
162	K	92.4	Very high	92.9	Very high	128 Å²	128	57.9 Å²	57.9	56%	0.557	31%	0.305	S	S	*	.			trans	51.8	28.6	-170.3	-57	175.1	-175.2	167.3	0	111.7	T126 L157 E158	T126-K162 PolarHBondContact OG1-NZ 3.31Å; L157-K162 PolarHBondContact O-N 3.03Å; E158-K162 VanDerWaalsContact O-CA 3.24Å; E158-K162 WeakPolarHBondContact O-CA 3.35Å; E158-K162 PolarHBondContact O-N 2.76Å; E158-K162 VanDerWaalsContact O-N 3.08Å
163	M	93.9	Very high	93.4	Very high	9 Å²	9	61.3 Å²	61.3	4%	0.044	31%	0.311	C	S	.	.			trans	-110.1	132.7	-171.5	-179.1	166.5	64.1	0	0	110.5	S139 R140 I141 L157 Y161	S139-M163 VanDerWaalsContact C-SD 3.54Å; R140-M163 VanDerWaalsContact CA-SD 3.58Å; I141-M163 HydrophobicContact CD1-CE 3.58Å; I141-M163 HydrophobicContact CG1-CE 3.73Å; I141-M163 HydrophobicContact CG1-SD 4.29Å; L157-M163 HydrophobicContact CD1-CE 3.47Å; L157-M163 VanDerWaalsContact CD1-CE 3.47Å; L157-M163 HydrophobicContact CD2-CE 4.02Å; L157-M163 HydrophobicContact CD2-CG 4.32Å; L157-M163 HydrophobicContact CG-CB 4.19Å; L157-M163 HydrophobicContact CG-CE 3.95Å; L157-M163 HydrophobicContact CG-CG 4.5Å; Y161-M163 PolarHBondContact O-N 3.01Å
164	R	89.8	Confident	93.7	Very high	158 Å²	158	65.6 Å²	65.6	60%	0.596	33%	0.333	S	S	*	.			trans	-106.3	133.7	174	-67.3	-175	175.4	174.4	-1.3	110.6	R140 E158	R140-R164 PolarHBondContact NE-O 2.51Å; E158-R164 IonicContact OE1-CZ 2.66Å; E158-R164 VanDerWaalsContact OE1-CZ 3.3Å; E158-R164 IonicContact OE1-NE 2.69Å; E158-R164 PolarHBondContact OE1-NE 2.94Å; E158-R164 IonicContact OE1-NH2 3.03Å; E158-R164 PolarHBondContact OE1-NH2 2.89Å
165	L	90.4	Very high	94.1	Very high	22 Å²	22	62.6 Å²	62.6	12%	0.115	32%	0.32	C	S	.	.			trans	-62	153.2	173.3	-61.6	171.9	0	0	0	110.7	I141 L143 M149 F153 L157	I141-L165 HydrophobicContact CB-CD2 3.74Å; I141-L165 HydrophobicContact CD1-CD2 4.24Å; I141-L165 HydrophobicContact CG2-CD2 3.96Å; L143-L165 HydrophobicContact CD1-CD1 4.33Å; L143-L165 HydrophobicContact CD1-CD2 4.49Å; M149-L165 HydrophobicContact CE-CD1 4.35Å; M149-L165 HydrophobicContact SD-CD1 3.76Å; F153-L165 HydrophobicContact CD1-CD1 3.65Å; F153-L165 HydrophobicContact CE1-CD1 3.51Å; F153-L165 HydrophobicContact CE1-CD2 3.65Å; F153-L165 HydrophobicContact CE1-CG 4.13Å; F153-L165 HydrophobicContact CZ-CD2 4.19Å; L157-L165 HydrophobicContact CD2-CD1 4.49Å; L157-L165 HydrophobicContact CD2-CD2 3.37Å; L157-L165 HydrophobicContact CD2-CG 3.65Å
166	R	93.6	Very high	94.4	Very high	65 Å²	65	60 Å²	60	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.8	164.5	-179.7	59.2	-158.5	-178.1	5	110.3	I141 I142 L143 E178	I141-R166 PolarHBondContact O-N 2.99Å; I142-R166 CarbonylContact C-O 3.47Å; I142-R166 WeakPolarHBondContact CA-O 3.23Å; I142-R166 HydrophobicContact CB-CB 4.44Å; I142-R166 HydrophobicContact CG1-CB 3.98Å; I142-R166 HydrophobicContact CG1-CG 4.46Å; I142-R166 HydrophobicContact CG2-CB 4.38Å; I142-R166 HydrophobicContact CG2-CG 4.32Å; L143-R166 PolarHBondContact N-O 3.31Å; R166-E178 WeakPolarHBondContact CD-OE1 3.38Å; R166-E178 IonicContact CZ-OE1 2.84Å; R166-E178 IonicContact CZ-OE2 3.63Å; R166-E178 IonicContact NE-OE1 2.81Å; R166-E178 PolarHBondContact NE-OE1 3.17Å; R166-E178 VanDerWaalsContact NE-OE1 3.12Å; R166-E178 IonicContact NE-OE2 3.57Å; R166-E178 PolarHBondContact NE-OE2 3.28Å; R166-E178 IonicContact NH1-OE1 2.7Å; R166-E178 PolarHBondContact NH1-OE1 2.79Å; R166-E178 IonicContact NH1-OE2 3.56Å; R166-E178 PolarHBondContact NH1-OE2 3.42Å; R166-E178 IonicContact NH2-OE1 2.69Å; R166-E178 IonicContact NH2-OE2 2.88Å; R166-E178 PolarHBondContact NH2-OE2 2.99Å
167	M	95.3	Very high	94.7	Very high	57 Å²	57	59.9 Å²	59.9	28%	0.281	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.6	168.1	-161.6	176.7	-59.9	0	0	109.1	E144 L147 M149	E144-M167 WeakPolarHBondContact O-CG 3.43Å; L147-M167 HydrophobicContact CB-CE 4.09Å; L147-M167 HydrophobicContact CB-SD 4.4Å; L147-M167 WeakPolarHBondContact O-CE 3.47Å; M149-M167 HydrophobicContact CE-CE 4.34Å; M149-M167 HydrophobicContact CG-CE 3.82Å; M149-M167 HydrophobicContact SD-CE 3.83Å
168	L	96.8	Very high	94.8	Very high	20 Å²	20	62.7 Å²	62.7	11%	0.105	31%	0.313	C	S	.	.			trans	-66	144.5	177.6	-67.6	177.4	0	0	0	111	I142 L143 K145 D175 I179 M198 V202	I142-L168 HydrophobicContact CG2-CD1 4.4Å; I142-L168 HydrophobicContact CG2-CD2 3.61Å; I142-L168 HydrophobicContact CG2-CG 3.79Å; L143-L168 WeakPolarHBondContact O-CG 3.47Å; L143-L168 PolarHBondContact O-N 2.77Å; K145-L168 VanDerWaalsContact CA-O 3.27Å; K145-L168 WeakPolarHBondContact CA-O 3.2Å; K145-L168 HydrophobicContact CB-CB 4.49Å; K145-L168 WeakPolarHBondContact CB-O 3.37Å; L168-D175 HydrophobicContact CD2-CB 3.69Å; L168-I179 HydrophobicContact CD2-CD1 4.44Å; L168-M198 HydrophobicContact CD1-CE 4.16Å; L168-M198 HydrophobicContact CD2-CE 3.7Å; L168-V202 HydrophobicContact CD1-CB 3.74Å; L168-V202 HydrophobicContact CD1-CG1 3.73Å; L168-V202 HydrophobicContact CD1-CG2 4.29Å
169	S	95.3	Very high	95	Very high	63 Å²	63	59.4 Å²	59.4	44%	0.441	30%	0.298	S	S	.	.			trans	-78.2	-27.7	172.7	65.5	0	0	0	0	111.5	N171 D175	S169-N171 PolarHBondContact OG-N 2.8Å; S169-D175 WeakPolarHBondContact CB-OD1 3.27Å; S169-D175 PolarHBondContact N-OD1 3.36Å; S169-D175 PolarHBondContact N-OD2 3.05Å; S169-D175 VanDerWaalsContact N-OD2 3.13Å; S169-D175 PolarHBondContact OG-OD1 2.93Å; S169-D175 PolarHBondContact OG-OD2 2.66Å
170	G	92.5	Very high	95.2	Very high	38 Å²	38	53.8 Å²	53.8	39%	0.392	27%	0.274	S	S	.	.	S	Bend	trans	91.2	3.4	-172.1	0	0	0	0	0	113.7	D175	G170-D175 PolarHBondContact N-OD2 2.94Å
171	N	95.7	Very high	95.3	Very high	78 Å²	78	58.2 Å²	58.2	42%	0.417	30%	0.297	S	S	.	.			trans	-101	105.6	165.2	-180	-41.1	0	0	0	108.1	S169 Q173 L174 D175	S169-N171 PolarHBondContact OG-N 2.8Å; N171-Q173 PolarHBondContact O-N 2.92Å; N171-Q173 PolarHBondContact OD1-N 2.89Å; N171-Q173 VanDerWaalsContact OD1-N 3.14Å; N171-L174 HydrophobicContact CB-CB 4.11Å; N171-L174 HydrophobicContact CB-CD1 4Å; N171-L174 HydrophobicContact CB-CG 4.21Å; N171-L174 PolarHBondContact O-N 2.93Å; N171-L174 PolarHBondContact OD1-N 2.77Å; N171-L174 VanDerWaalsContact OD1-N 3.13Å; N171-D175 WeakPolarHBondContact O-CB 3.31Å; N171-D175 PolarHBondContact O-N 3.21Å
172	S	95.4	Very high	95.4	Very high	78 Å²	78	59.5 Å²	59.5	55%	0.545	30%	0.302	S	S	.	.	H	α-helix	trans	-56.1	-37.4	-173.7	-54.9	0	0	0	0	113.3	L176 M198	S172-L176 WeakPolarHBondContact O-CB 3.33Å; S172-L176 PolarHBondContact O-N 3.18Å; S172-M198 WeakPolarHBondContact O-CG 3.28Å
173	Q	96.6	Very high	95.6	Very high	111 Å²	111	53.4 Å²	53.4	52%	0.519	28%	0.276	S	S	.	.	H	α-helix	trans	-71.2	-43.6	-179.2	-174.8	62.3	17.2	0	0	111.8	N171 Q177	N171-Q173 PolarHBondContact O-N 2.92Å; N171-Q173 PolarHBondContact OD1-N 2.89Å; N171-Q173 VanDerWaalsContact OD1-N 3.14Å; Q173-Q177 WeakPolarHBondContact O-CB 3.48Å; Q173-Q177 VanDerWaalsContact O-CG 3.29Å; Q173-Q177 WeakPolarHBondContact O-CG 3.49Å; Q173-Q177 PolarHBondContact O-N 3.02Å
174	L	96.7	Very high	95.8	Very high	95 Å²	95	59 Å²	59	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-43.8	176.3	-69.2	178.1	0	0	0	111.3	N171 Q177 E178	N171-L174 HydrophobicContact CB-CB 4.11Å; N171-L174 HydrophobicContact CB-CD1 4Å; N171-L174 HydrophobicContact CB-CG 4.21Å; N171-L174 PolarHBondContact O-N 2.93Å; N171-L174 PolarHBondContact OD1-N 2.77Å; N171-L174 VanDerWaalsContact OD1-N 3.13Å; L174-Q177 PolarHBondContact O-N 3.31Å; L174-E178 PolarHBondContact O-N 3.49Å
175	D	97.4	Very high	96.1	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.027	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-41.6	178.9	-70.4	-28.7	0	0	0	111.3	L168 S169 G170 N171 E178 I179 M198	L168-D175 HydrophobicContact CD2-CB 3.69Å; S169-D175 WeakPolarHBondContact CB-OD1 3.27Å; S169-D175 PolarHBondContact N-OD1 3.36Å; S169-D175 PolarHBondContact N-OD2 3.05Å; S169-D175 VanDerWaalsContact N-OD2 3.13Å; S169-D175 PolarHBondContact OG-OD1 2.93Å; S169-D175 PolarHBondContact OG-OD2 2.66Å; G170-D175 PolarHBondContact N-OD2 2.94Å; N171-D175 WeakPolarHBondContact O-CB 3.31Å; N171-D175 PolarHBondContact O-N 3.21Å; D175-E178 PolarHBondContact O-N 3.21Å; D175-I179 WeakPolarHBondContact O-CG1 3.37Å; D175-I179 PolarHBondContact O-N 2.92Å; D175-M198 HydrophobicContact CB-CE 4.45Å; D175-M198 HydrophobicContact CB-CG 4.45Å
176	L	97.4	Very high	96.3	Very high	16 Å²	16	61.6 Å²	61.6	8%	0.084	31%	0.314	C	S	.	.	H	α-helix	trans	-59.4	-49.9	174.3	-176.8	61.8	0	0	0	111.8	S172 E178 I179 N180 M195 K196 M198	S172-L176 WeakPolarHBondContact O-CB 3.33Å; S172-L176 PolarHBondContact O-N 3.18Å; L176-E178 VanDerWaalsContact C-N 3.31Å; L176-E178 PolarHBondContact O-N 3.37Å; L176-I179 PolarHBondContact O-N 2.95Å; L176-N180 WeakPolarHBondContact O-CB 3.49Å; L176-N180 PolarHBondContact O-N 3.16Å; L176-N180 PolarHBondContact O-ND2 3.33Å; L176-M195 HydrophobicContact CD1-CB 4.23Å; L176-K196 VanDerWaalsContact CD2-O 3.27Å; L176-K196 WeakPolarHBondContact CD2-O 3.38Å; L176-M198 HydrophobicContact CB-CG 3.7Å; L176-M198 HydrophobicContact CD1-CG 4.14Å; L176-M198 HydrophobicContact CG-CG 4.49Å
177	Q	97.5	Very high	96.3	Very high	93 Å²	93	58.5 Å²	58.5	44%	0.435	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-43	-179.5	-77.1	177.2	-11.5	0	0	111	Q173 L174 N181	Q173-Q177 WeakPolarHBondContact O-CB 3.48Å; Q173-Q177 VanDerWaalsContact O-CG 3.29Å; Q173-Q177 WeakPolarHBondContact O-CG 3.49Å; Q173-Q177 PolarHBondContact O-N 3.02Å; L174-Q177 PolarHBondContact O-N 3.31Å; Q177-N181 VanDerWaalsContact O-CB 3.25Å; Q177-N181 WeakPolarHBondContact O-CB 3.44Å; Q177-N181 PolarHBondContact O-N 3.11Å; Q177-N181 PolarHBondContact O-ND2 2.92Å
178	E	97.1	Very high	96.2	Very high	58 Å²	58	63.5 Å²	63.5	27%	0.271	32%	0.323	S	S	.	.	H	α-helix	trans	-64.4	-46	178.5	-169.1	-170.2	145.6	0	0	112.4	R166 L174 D175 L176 N180 N181 W182	R166-E178 WeakPolarHBondContact CD-OE1 3.38Å; R166-E178 IonicContact CZ-OE1 2.84Å; R166-E178 IonicContact CZ-OE2 3.63Å; R166-E178 IonicContact NE-OE1 2.81Å; R166-E178 PolarHBondContact NE-OE1 3.17Å; R166-E178 VanDerWaalsContact NE-OE1 3.12Å; R166-E178 IonicContact NE-OE2 3.57Å; R166-E178 PolarHBondContact NE-OE2 3.28Å; R166-E178 IonicContact NH1-OE1 2.7Å; R166-E178 PolarHBondContact NH1-OE1 2.79Å; R166-E178 IonicContact NH1-OE2 3.56Å; R166-E178 PolarHBondContact NH1-OE2 3.42Å; R166-E178 IonicContact NH2-OE1 2.69Å; R166-E178 IonicContact NH2-OE2 2.88Å; R166-E178 PolarHBondContact NH2-OE2 2.99Å; L174-E178 PolarHBondContact O-N 3.49Å; D175-E178 PolarHBondContact O-N 3.21Å; L176-E178 VanDerWaalsContact C-N 3.31Å; L176-E178 PolarHBondContact O-N 3.37Å; E178-N180 PolarHBondContact O-N 2.88Å; E178-N181 PolarHBondContact O-N 3.49Å; E178-W182 WeakPolarHBondContact O-CB 3.45Å; E178-W182 PolarHBondContact O-N 2.84Å
179	I	97.2	Very high	96.1	Very high	1 Å²	1	64 Å²	64	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-63.2	-44.9	179.9	-68.2	163.5	0	0	0	110.2	I142 L168 D175 L176 W182 V183 F194 M195 M198	I142-I179 HydrophobicContact CG1-CD1 4.35Å; I142-I179 HydrophobicContact CG2-CD1 4.4Å; L168-I179 HydrophobicContact CD2-CD1 4.44Å; D175-I179 WeakPolarHBondContact O-CG1 3.37Å; D175-I179 PolarHBondContact O-N 2.92Å; L176-I179 PolarHBondContact O-N 2.95Å; I179-W182 PolarHBondContact O-N 2.77Å; I179-V183 PolarHBondContact O-N 3.07Å; I179-F194 HydrophobicContact CG2-CD1 3.86Å; I179-F194 HydrophobicContact CG2-CE1 4.38Å; I179-M195 HydrophobicContact CD1-CE 4.26Å; I179-M195 HydrophobicContact CG2-CE 3.89Å; I179-M198 HydrophobicContact CD1-CE 3.98Å; I179-M198 HydrophobicContact CD1-SD 3.55Å; I179-M198 VanDerWaalsContact CD1-SD 3.55Å
180	N	97.8	Very high	96.1	Very high	19 Å²	19	67.9 Å²	67.9	10%	0.102	34%	0.338	C	S	.	.	H	α-helix	trans	-60.9	-44.8	175.8	-80.5	-34.2	0	0	0	112	L176 E178 W182 V183 R184 F194 M195	L176-N180 WeakPolarHBondContact O-CB 3.49Å; L176-N180 PolarHBondContact O-N 3.16Å; L176-N180 PolarHBondContact O-ND2 3.33Å; E178-N180 PolarHBondContact O-N 2.88Å; N180-W182 PolarHBondContact O-N 2.88Å; N180-V183 PolarHBondContact O-N 3.35Å; N180-R184 VanDerWaalsContact O-CB 3.29Å; N180-R184 WeakPolarHBondContact O-CB 3.4Å; N180-R184 PolarHBondContact O-N 2.96Å; N180-F194 WeakPolarHBondContact OD1-CA 3.16Å; N180-F194 WeakPolarHBondContact OD1-CB 3.29Å; N180-F194 PolarHBondContact OD1-N 3.28Å; N180-M195 PolarHBondContact ND2-O 3.03Å; N180-M195 PolarHBondContact OD1-N 3.47Å; N180-M195 PolarHBondContact OD1-O 2.69Å
181	N	97.6	Very high	96.3	Very high	99 Å²	99	66.1 Å²	66.1	53%	0.529	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-40.3	177.4	-74.6	-23.4	0	0	0	112.2	Q177 E178 R184 Q185	Q177-N181 VanDerWaalsContact O-CB 3.25Å; Q177-N181 WeakPolarHBondContact O-CB 3.44Å; Q177-N181 PolarHBondContact O-N 3.11Å; Q177-N181 PolarHBondContact O-ND2 2.92Å; E178-N181 PolarHBondContact O-N 3.49Å; N181-R184 PolarHBondContact O-N 2.88Å; N181-Q185 WeakPolarHBondContact O-CB 3.5Å; N181-Q185 PolarHBondContact O-N 2.9Å
182	W	97.1	Very high	96.2	Very high	37 Å²	37	68.1 Å²	68.1	14%	0.14	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-49.6	176	170.2	80.3	0	0	0	111.2	A138 R140 E178 I179 N180 R184 Q185 Q186	A138-W182 HydrophobicContact CB-CH2 3.63Å; A138-W182 HydrophobicContact CB-CZ2 4.14Å; A138-W182 HydrophobicContact CB-CZ3 4.27Å; R140-W182 HydrophobicContact CB-CE3 4.43Å; R140-W182 HydrophobicContact CB-CH2 3.48Å; R140-W182 VanDerWaalsContact CB-CH2 3.48Å; R140-W182 HydrophobicContact CB-CZ2 3.85Å; R140-W182 HydrophobicContact CB-CZ3 3.77Å; R140-W182 HydrophobicContact CG-CH2 4.28Å; R140-W182 HydrophobicContact CG-CZ2 4.2Å; E178-W182 WeakPolarHBondContact O-CB 3.45Å; E178-W182 PolarHBondContact O-N 2.84Å; I179-W182 PolarHBondContact O-N 2.77Å; N180-W182 PolarHBondContact O-N 2.88Å; W182-R184 VanDerWaalsContact C-N 3.31Å; W182-R184 PolarHBondContact O-N 3.07Å; W182-Q185 PolarHBondContact O-N 3.23Å; W182-Q185 VanDerWaalsContact O-N 3.17Å; W182-Q186 HydrophobicContact CD2-CG 4.17Å; W182-Q186 HydrophobicContact CG-CG 4.47Å; W182-Q186 HydrophobicContact CH2-CG 4.49Å; W182-Q186 HydrophobicContact CZ2-CG 3.76Å; W182-Q186 WeakPolarHBondContact O-CG 3.43Å; W182-Q186 PolarHBondContact O-N 3.06Å
183	V	96.9	Very high	96.2	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-42.3	176.6	174	0	0	0	0	111	I179 N180 Q185 Q186 T187 I191 F194 A209	I179-V183 PolarHBondContact O-N 3.07Å; N180-V183 PolarHBondContact O-N 3.35Å; V183-Q185 VanDerWaalsContact C-N 3.29Å; V183-Q185 PolarHBondContact O-N 3.08Å; V183-Q186 PolarHBondContact O-N 3.49Å; V183-T187 HydrophobicContact CG1-CG2 4.17Å; V183-T187 WeakPolarHBondContact O-CB 3.44Å; V183-T187 WeakPolarHBondContact O-CG2 3.22Å; V183-T187 PolarHBondContact O-N 2.99Å; V183-T187 PolarHBondContact O-OG1 3.16Å; V183-I191 HydrophobicContact CG1-CB 3.89Å; V183-I191 HydrophobicContact CG1-CD1 4.31Å; V183-I191 HydrophobicContact CG1-CG2 3.74Å; V183-F194 HydrophobicContact CB-CB 3.85Å; V183-F194 HydrophobicContact CB-CG 4.25Å; V183-F194 HydrophobicContact CG1-CB 3.94Å; V183-F194 HydrophobicContact CG1-CD2 4.12Å; V183-F194 HydrophobicContact CG1-CG 4.25Å; V183-F194 HydrophobicContact CG2-CB 3.72Å; V183-F194 HydrophobicContact CG2-CD1 3.98Å; V183-F194 HydrophobicContact CG2-CD2 3.95Å; V183-F194 HydrophobicContact CG2-CG 3.61Å; V183-A209 HydrophobicContact CG1-CB 3.74Å; V183-A209 HydrophobicContact CG2-CB 4.38Å
184	R	97.6	Very high	96.2	Very high	125 Å²	125	65.4 Å²	65.4	47%	0.472	30%	0.303	S	S	.	.	H	α-helix	trans	-57.9	-43	176.2	-172.8	-178.2	178.4	-173.1	-0.4	111.3	N180 N181 W182 K188 G189 I191	N180-R184 VanDerWaalsContact O-CB 3.29Å; N180-R184 WeakPolarHBondContact O-CB 3.4Å; N180-R184 PolarHBondContact O-N 2.96Å; N181-R184 PolarHBondContact O-N 2.88Å; W182-R184 VanDerWaalsContact C-N 3.31Å; W182-R184 PolarHBondContact O-N 3.07Å; R184-K188 PolarHBondContact O-N 3.22Å; R184-K188 VanDerWaalsContact O-N 3.15Å; R184-G189 PolarHBondContact O-N 3.31Å; R184-I191 VanDerWaalsContact CA-O 3.31Å; R184-I191 WeakPolarHBondContact CA-O 3.26Å
185	Q	96.2	Very high	96.1	Very high	147 Å²	147	61.1 Å²	61.1	69%	0.687	28%	0.28	S	S	*	.	H	α-helix	trans	-66.6	-48.4	177.5	-170.5	179.9	16.4	0	0	111.8	N181 W182 V183 T187 K188	N181-Q185 WeakPolarHBondContact O-CB 3.5Å; N181-Q185 PolarHBondContact O-N 2.9Å; W182-Q185 PolarHBondContact O-N 3.23Å; W182-Q185 VanDerWaalsContact O-N 3.17Å; V183-Q185 VanDerWaalsContact C-N 3.29Å; V183-Q185 PolarHBondContact O-N 3.08Å; Q185-T187 PolarHBondContact O-N 3.24Å; Q185-K188 PolarHBondContact O-N 2.84Å
186	Q	93.8	Very high	95.9	Very high	88 Å²	88	66.5 Å²	66.5	41%	0.411	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-33.7	179.8	-65.6	-56.1	-41.5	0	0	112.4	A138 W182 V183 K188	A138-Q186 HydrophobicContact CB-CB 3.59Å; A138-Q186 HydrophobicContact CB-CG 4.08Å; W182-Q186 HydrophobicContact CD2-CG 4.17Å; W182-Q186 HydrophobicContact CG-CG 4.47Å; W182-Q186 HydrophobicContact CH2-CG 4.49Å; W182-Q186 HydrophobicContact CZ2-CG 3.76Å; W182-Q186 WeakPolarHBondContact O-CG 3.43Å; W182-Q186 PolarHBondContact O-N 3.06Å; V183-Q186 PolarHBondContact O-N 3.49Å; Q186-K188 VanDerWaalsContact C-N 3.35Å
187	T	93.6	Very high	95.8	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	11.1	177.5	63.8	0	0	0	0	114.1	V183 Q185 G189 R190 I191	V183-T187 HydrophobicContact CG1-CG2 4.17Å; V183-T187 WeakPolarHBondContact O-CB 3.44Å; V183-T187 WeakPolarHBondContact O-CG2 3.22Å; V183-T187 PolarHBondContact O-N 2.99Å; V183-T187 PolarHBondContact O-OG1 3.16Å; Q185-T187 PolarHBondContact O-N 3.24Å; T187-G189 PolarHBondContact O-N 3.34Å; T187-R190 VanDerWaalsContact O-CB 3.3Å; T187-R190 WeakPolarHBondContact O-CB 3.37Å; T187-R190 WeakPolarHBondContact O-CG 3.49Å; T187-R190 PolarHBondContact O-N 2.95Å; T187-R190 VanDerWaalsContact O-N 3.07Å; T187-I191 HydrophobicContact CG2-CB 4.23Å; T187-I191 HydrophobicContact CG2-CD1 3.81Å; T187-I191 HydrophobicContact CG2-CG1 3.97Å; T187-I191 PolarHBondContact OG1-N 3.38Å; T187-I191 VanDerWaalsContact OG1-N 3.11Å
188	K	93.9	Very high	95.7	Very high	162 Å²	162	68.3 Å²	68.3	70%	0.704	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	40.8	-179.1	-59	-172.9	178.4	-171.7	0	113.2	K136 R184 Q185 Q186 R190	K136-K188 HydrophobicContact CD-CD 4.3Å; K136-K188 HydrophobicContact CD-CG 4.44Å; R184-K188 PolarHBondContact O-N 3.22Å; R184-K188 VanDerWaalsContact O-N 3.15Å; Q185-K188 PolarHBondContact O-N 2.84Å; Q186-K188 VanDerWaalsContact C-N 3.35Å; K188-R190 VanDerWaalsContact C-N 3.34Å; K188-R190 PolarHBondContact O-N 2.93Å
189	G	95.2	Very high	95.5	Very high	30 Å²	30	67.3 Å²	67.3	31%	0.309	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	4	177.9	0	0	0	0	0	115.3	R184 T187 L192	R184-G189 PolarHBondContact O-N 3.31Å; T187-G189 PolarHBondContact O-N 3.34Å; G189-L192 VanDerWaalsContact O-CD2 3.23Å; G189-L192 WeakPolarHBondContact O-CD2 3.31Å
190	R	95.1	Very high	95.2	Very high	146 Å²	146	72.3 Å²	72.3	55%	0.551	34%	0.344	S	S	*	.	S	Bend	trans	-77.7	-34	-177.8	-60.5	-65.3	178	-177.9	-1.9	113.3	T187 K188 H211	T187-R190 VanDerWaalsContact O-CB 3.3Å; T187-R190 WeakPolarHBondContact O-CB 3.37Å; T187-R190 WeakPolarHBondContact O-CG 3.49Å; T187-R190 PolarHBondContact O-N 2.95Å; T187-R190 VanDerWaalsContact O-N 3.07Å; K188-R190 VanDerWaalsContact C-N 3.34Å; K188-R190 PolarHBondContact O-N 2.93Å; R190-H211 HydrophobicContact CB-CB 3.99Å; R190-H211 VanDerWaalsContact CB-CD2 3.45Å; R190-H211 WeakPolarHBondContact CB-CD2 3.34Å; R190-H211 VanDerWaalsContact CB-CG 3.47Å
191	I	96	Very high	95	Very high	1 Å²	1	78.3 Å²	78.3	1%	0.005	38%	0.377	C	S	.	.			trans	-103.9	102.4	169.1	-57.7	-177.6	0	0	0	107.8	V183 R184 T187 A209 H211 K358 I360	V183-I191 HydrophobicContact CG1-CB 3.89Å; V183-I191 HydrophobicContact CG1-CD1 4.31Å; V183-I191 HydrophobicContact CG1-CG2 3.74Å; R184-I191 VanDerWaalsContact CA-O 3.31Å; R184-I191 WeakPolarHBondContact CA-O 3.26Å; T187-I191 HydrophobicContact CG2-CB 4.23Å; T187-I191 HydrophobicContact CG2-CD1 3.81Å; T187-I191 HydrophobicContact CG2-CG1 3.97Å; T187-I191 PolarHBondContact OG1-N 3.38Å; T187-I191 VanDerWaalsContact OG1-N 3.11Å; I191-A209 HydrophobicContact CD1-CB 3.93Å; I191-H211 HydrophobicContact CD1-CB 4.49Å; I191-H211 HydrophobicContact CG1-CB 4.29Å; I191-K358 HydrophobicContact CD1-CG 4.4Å; I191-K358 HydrophobicContact CG2-CD 3.76Å; I191-K358 HydrophobicContact CG2-CG 4.37Å; I191-I360 HydrophobicContact CG1-CD1 3.87Å; I191-I360 HydrophobicContact CG1-CG1 4.28Å
192	L	94.4	Very high	94.9	Very high	119 Å²	119	74.3 Å²	74.3	62%	0.623	36%	0.356	S	S	*	.	S	Bend	trans	-76.5	-39.2	-176.8	-63.6	178.5	0	0	0	112.9	G189	G189-L192 VanDerWaalsContact O-CD2 3.23Å; G189-L192 WeakPolarHBondContact O-CD2 3.31Å
193	R	95	Very high	94.9	Very high	133 Å²	133	73.2 Å²	73.2	50%	0.502	35%	0.354	S	S	.	.			trans	-132.7	117.7	177.7	-175.8	175.4	68.2	-177.7	-3.3	108.2	M195 K358	R193-M195 VanDerWaalsContact CG-O 3.3Å; R193-M195 WeakPolarHBondContact CG-O 3.5Å; R193-K358 WeakPolarHBondContact O-CD 3.31Å; R193-K358 WeakPolarHBondContact O-CE 3.42Å; R193-K358 PolarHBondContact O-NZ 2.95Å
194	F	96.5	Very high	95	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	-83.3	-46.8	179.1	176	-114.7	0	0	0	112.5	I179 N180 V183 A207 A209 Q356 K358	I179-F194 HydrophobicContact CG2-CD1 3.86Å; I179-F194 HydrophobicContact CG2-CE1 4.38Å; N180-F194 WeakPolarHBondContact OD1-CA 3.16Å; N180-F194 WeakPolarHBondContact OD1-CB 3.29Å; N180-F194 PolarHBondContact OD1-N 3.28Å; V183-F194 HydrophobicContact CB-CB 3.85Å; V183-F194 HydrophobicContact CB-CG 4.25Å; V183-F194 HydrophobicContact CG1-CB 3.94Å; V183-F194 HydrophobicContact CG1-CD2 4.12Å; V183-F194 HydrophobicContact CG1-CG 4.25Å; V183-F194 HydrophobicContact CG2-CB 3.72Å; V183-F194 HydrophobicContact CG2-CD1 3.98Å; V183-F194 HydrophobicContact CG2-CD2 3.95Å; V183-F194 HydrophobicContact CG2-CG 3.61Å; F194-A207 HydrophobicContact CE1-CB 3.73Å; F194-A207 HydrophobicContact CZ-CB 3.78Å; F194-A209 HydrophobicContact CD2-CB 3.78Å; F194-A209 HydrophobicContact CE2-CB 3.66Å; F194-Q356 HydrophobicContact CD1-CG 4.41Å; F194-Q356 HydrophobicContact CE1-CB 3.91Å; F194-Q356 HydrophobicContact CE1-CG 3.56Å; F194-Q356 HydrophobicContact CE2-CG 4.13Å; F194-Q356 HydrophobicContact CZ-CB 3.77Å; F194-Q356 HydrophobicContact CZ-CG 3.39Å; F194-K358 HydrophobicContact CD2-CB 3.54Å; F194-K358 HydrophobicContact CD2-CD 4.3Å; F194-K358 HydrophobicContact CD2-CG 4.49Å; F194-K358 HydrophobicContact CE2-CB 3.59Å
195	M	94.3	Very high	95.1	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.02	33%	0.331	C	S	.	.			trans	-131.4	148	175	-69.5	-179.2	-52.5	0	0	109.8	L176 I179 N180 R193 M198 L205 Q356	L176-M195 HydrophobicContact CD1-CB 4.23Å; I179-M195 HydrophobicContact CD1-CE 4.26Å; I179-M195 HydrophobicContact CG2-CE 3.89Å; N180-M195 PolarHBondContact ND2-O 3.03Å; N180-M195 PolarHBondContact OD1-N 3.47Å; N180-M195 PolarHBondContact OD1-O 2.69Å; R193-M195 VanDerWaalsContact CG-O 3.3Å; R193-M195 WeakPolarHBondContact CG-O 3.5Å; M195-M198 HydrophobicContact CE-SD 3.84Å; M195-L205 HydrophobicContact CE-CD2 4.13Å; M195-L205 HydrophobicContact SD-CD2 4.46Å; M195-Q356 HydrophobicContact CG-CB 4.4Å; M195-Q356 HydrophobicContact CG-CG 3.48Å; M195-Q356 VanDerWaalsContact CG-CG 3.48Å; M195-Q356 HydrophobicContact SD-CB 3.75Å; M195-Q356 HydrophobicContact SD-CG 3.49Å; M195-Q356 WeakPolarHBondContact SD-CG 3.44Å
196	K	94.6	Very high	95.2	Very high	118 Å²	118	60.4 Å²	60.4	51%	0.513	30%	0.299	S	S	.	.	S	Bend	trans	-75.4	-43	174.4	-65.7	177.3	-173.9	171.3	0	112.1	L176	L176-K196 VanDerWaalsContact CD2-O 3.27Å; L176-K196 WeakPolarHBondContact CD2-O 3.38Å
197	D	94.1	Very high	95.4	Very high	123 Å²	123	56.2 Å²	56.2	66%	0.658	28%	0.28	S	S	*	.	S	Bend	trans	-138.8	155.2	-172.9	-57.6	-68.7	0	0	0	110.3
198	M	94.6	Very high	95.5	Very high	25 Å²	25	56.2 Å²	56.2	12%	0.123	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-83.3	128.3	171	-83.4	-61.3	-62.6	0	0	109.9	L168 S172 D175 L176 I179 M195 V202	L168-M198 HydrophobicContact CD1-CE 4.16Å; L168-M198 HydrophobicContact CD2-CE 3.7Å; S172-M198 WeakPolarHBondContact O-CG 3.28Å; D175-M198 HydrophobicContact CB-CE 4.45Å; D175-M198 HydrophobicContact CB-CG 4.45Å; L176-M198 HydrophobicContact CB-CG 3.7Å; L176-M198 HydrophobicContact CD1-CG 4.14Å; L176-M198 HydrophobicContact CG-CG 4.49Å; I179-M198 HydrophobicContact CD1-CE 3.98Å; I179-M198 HydrophobicContact CD1-SD 3.55Å; I179-M198 VanDerWaalsContact CD1-SD 3.55Å; M195-M198 HydrophobicContact CE-SD 3.84Å; M198-V202 HydrophobicContact CE-CG2 4.39Å
199	P	93.9	Very high	95.7	Very high	36 Å²	36	48.5 Å²	48.5	23%	0.234	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-60.1	148.9	172.9	-19.5	30.4	0	0	0	111.5	V202 H354	P199-V202 HydrophobicContact CB-CG2 4.07Å; P199-V202 WeakPolarHBondContact O-CG2 3.02Å; P199-H354 WeakPolarHBondContact CB-NE2 3.23Å
200	T	91.7	Very high	95.8	Very high	106 Å²	106	47 Å²	47	65%	0.65	23%	0.231	S	C	*	.	S	Bend	trans	-75.2	160.5	168.4	63.8	0	0	0	0	110	V202 H354	T200-V202 PolarHBondContact O-N 2.73Å; T200-V202 VanDerWaalsContact O-N 3.07Å; T200-H354 PolarHBondContact O-CE1 2.83Å; T200-H354 VanDerWaalsContact O-CE1 3.25Å
201	D	92.5	Very high	96	Very high	145 Å²	145	40.4 Å²	40.4	78%	0.775	21%	0.206	S	C	*	.	S	Bend	trans	56.1	33.1	170	-47.9	-55.3	0	0	0	115.1	S203	D201-S203 PolarHBondContact O-N 3.41Å
202	V	96.8	Very high	96	Very high	16 Å²	16	40.4 Å²	40.4	10%	0.097	21%	0.206	C	C	.	.			trans	-61.9	121.3	173.3	177.7	0	0	0	0	109.1	E144 L168 M198 P199 T200 L205	E144-V202 VanDerWaalsContact CB-O 3.23Å; E144-V202 WeakPolarHBondContact CB-O 3.31Å; L168-V202 HydrophobicContact CD1-CB 3.74Å; L168-V202 HydrophobicContact CD1-CG1 3.73Å; L168-V202 HydrophobicContact CD1-CG2 4.29Å; M198-V202 HydrophobicContact CE-CG2 4.39Å; P199-V202 HydrophobicContact CB-CG2 4.07Å; P199-V202 WeakPolarHBondContact O-CG2 3.02Å; T200-V202 PolarHBondContact O-N 2.73Å; T200-V202 VanDerWaalsContact O-N 3.07Å; V202-L205 HydrophobicContact CG1-CB 3.8Å
203	S	97.2	Very high	96.1	Very high	13 Å²	13	37.7 Å²	37.7	9%	0.091	19%	0.19	C	C	.	.	S	Bend	trans	-101.3	-65.7	165	-175.5	0	0	0	0	109.7	L143 E144 D201 I350 K351 S353	L143-S203 CarbonylContact C-O 3.57Å; L143-S203 WeakPolarHBondContact CA-O 3.44Å; E144-S203 PolarHBondContact N-O 3.3Å; E144-S203 WeakPolarHBondContact OE1-CB 3.46Å; E144-S203 PolarHBondContact OE1-OG 2.88Å; D201-S203 PolarHBondContact O-N 3.41Å; S203-I350 WeakPolarHBondContact OG-CA 3.49Å; S203-I350 WeakPolarHBondContact OG-CB 3.44Å; S203-K351 WeakPolarHBondContact CB-O 3.33Å; S203-K351 PolarHBondContact OG-N 3.48Å; S203-K351 VanDerWaalsContact OG-N 3.1Å; S203-S353 PolarHBondContact N-OG 2.98Å
204	I	98.4	Very high	96.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.4	164.1	-52.2	175.1	0	0	0	108.8	L91 I141 I142 L143 L206 F342 I350 K351 L352 S353 H354	L91-I204 HydrophobicContact CD1-CD1 4.12Å; L91-I204 HydrophobicContact CD1-CG2 4.31Å; L91-I204 HydrophobicContact CD2-CG2 4.39Å; I141-I204 HydrophobicContact CG2-CG2 3.95Å; I142-I204 CarbonylContact O-C 3.56Å; I142-I204 WeakPolarHBondContact O-CA 3.29Å; L143-I204 HydrophobicContact CD2-CB 4.4Å; L143-I204 HydrophobicContact CD2-CD1 4.46Å; L143-I204 HydrophobicContact CD2-CG1 3.83Å; L143-I204 HydrophobicContact CD2-CG2 4.2Å; I204-L206 HydrophobicContact CG2-CD2 4.46Å; I204-F342 HydrophobicContact CD1-CD2 3.6Å; I204-F342 HydrophobicContact CD1-CE2 3.67Å; I204-F342 HydrophobicContact CD1-CG 4.23Å; I204-F342 HydrophobicContact CD1-CZ 4.38Å; I204-I350 HydrophobicContact CD1-CB 4.39Å; I204-I350 HydrophobicContact CD1-CD1 3.75Å; I204-I350 HydrophobicContact CD1-CG1 3.99Å; I204-I350 HydrophobicContact CG1-CB 4.34Å; I204-I350 HydrophobicContact CG1-CD1 4.05Å; I204-I350 HydrophobicContact CG1-CG1 4.39Å; I204-K351 WeakPolarHBondContact CB-O 3.32Å; I204-K351 WeakPolarHBondContact CG1-O 3.46Å; I204-K351 PolarHBondContact N-O 2.97Å; I204-L352 HydrophobicContact CG2-CD1 4.27Å; I204-S353 PolarHBondContact N-OG 2.97Å; I204-S353 PolarHBondContact O-N 2.89Å; I204-S353 PolarHBondContact O-OG 2.78Å; I204-H354 PolarHBondContact O-N 2.82Å
205	L	98.4	Very high	96.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.4	170.7	164	68.3	0	0	0	108.7	I142 M195 V202 H354 Q356	I142-L205 HydrophobicContact CB-CB 4.12Å; I142-L205 HydrophobicContact CB-CD2 4.36Å; I142-L205 HydrophobicContact CB-CG 4.41Å; I142-L205 HydrophobicContact CD1-CD2 4.04Å; I142-L205 HydrophobicContact CD1-CG 4.05Å; I142-L205 PolarHBondContact N-O 3.27Å; I142-L205 PolarHBondContact O-N 3.33Å; M195-L205 HydrophobicContact CE-CD2 4.13Å; M195-L205 HydrophobicContact SD-CD2 4.46Å; V202-L205 HydrophobicContact CG1-CB 3.8Å; L205-H354 WeakPolarHBondContact CA-O 2.86Å; L205-H354 HydrophobicContact CB-CB 4.23Å; L205-H354 HydrophobicContact CD1-CB 3.41Å; L205-H354 VanDerWaalsContact CD1-CB 3.41Å; L205-H354 HydrophobicContact CG-CB 4.39Å; L205-Q356 HydrophobicContact CD1-CB 4.1Å
206	L	98.3	Very high	96.2	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.3	168.2	-63.2	-178.4	0	0	0	109.4	A87 L88 L91 I141 I204 L352 H354 V355 Q356	A87-L206 HydrophobicContact CB-CB 4.42Å; A87-L206 HydrophobicContact CB-CD2 4.06Å; L88-L206 HydrophobicContact CB-CD1 4.32Å; L88-L206 HydrophobicContact CD1-CD1 4.11Å; L91-L206 HydrophobicContact CB-CD2 4.48Å; L91-L206 HydrophobicContact CD2-CD1 4.38Å; L91-L206 HydrophobicContact CD2-CD2 4.18Å; I141-L206 HydrophobicContact CB-CD2 4.41Å; I141-L206 HydrophobicContact CG1-CD2 3.78Å; I141-L206 HydrophobicContact CG2-CD2 4.41Å; I204-L206 HydrophobicContact CG2-CD2 4.46Å; L206-L352 HydrophobicContact CB-CD1 4.48Å; L206-L352 HydrophobicContact CD1-CD1 3.89Å; L206-L352 HydrophobicContact CD1-CD2 4.3Å; L206-L352 HydrophobicContact CG-CD1 3.67Å; L206-H354 PolarHBondContact N-O 2.58Å; L206-V355 HydrophobicContact CB-CG1 4.37Å; L206-V355 HydrophobicContact CB-CG2 4.43Å; L206-V355 CarbonylContact O-C 3.51Å; L206-V355 WeakPolarHBondContact O-CA 3.41Å; L206-Q356 PolarHBondContact O-N 3.49Å
207	A	97.9	Very high	96.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.8	176.1	0	0	0	0	0	109.8	S139 R140 I142 F194	S139-A207 CarbonylContact C-O 3.49Å; S139-A207 WeakPolarHBondContact CA-O 3.3Å; R140-A207 HydrophobicContact CB-CB 4.41Å; R140-A207 PolarHBondContact N-O 3.09Å; R140-A207 PolarHBondContact O-N 3.2Å; I142-A207 HydrophobicContact CD1-CB 3.57Å; F194-A207 HydrophobicContact CE1-CB 3.73Å; F194-A207 HydrophobicContact CZ-CB 3.78Å
208	G	97.5	Very high	96.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.9	171.5	0	0	0	0	0	110.3	S83 Q356 H357 K358	S83-G208 WeakPolarHBondContact OG-CA 3.19Å; G208-Q356 PolarHBondContact N-O 3.3Å; G208-H357 CarbonylContact O-C 3.57Å; G208-H357 VanDerWaalsContact O-CA 3.27Å; G208-H357 WeakPolarHBondContact O-CA 3.48Å; G208-H357 PolarHBondContact O-ND1 3.09Å; G208-H357 VanDerWaalsContact O-ND1 3.12Å; G208-K358 PolarHBondContact O-N 3.08Å
209	A	97.7	Very high	96.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139	177.5	0	0	0	0	0	110.6	S137 A138 V183 I191 F194 K358	S137-A209 CarbonylContact C-O 3.47Å; S137-A209 WeakPolarHBondContact CA-O 3.32Å; A138-A209 HydrophobicContact CB-CB 4.32Å; A138-A209 PolarHBondContact N-O 2.83Å; A138-A209 PolarHBondContact O-N 3.39Å; V183-A209 HydrophobicContact CG1-CB 3.74Å; V183-A209 HydrophobicContact CG2-CB 4.38Å; I191-A209 HydrophobicContact CD1-CB 3.93Å; F194-A209 HydrophobicContact CD2-CB 3.78Å; F194-A209 HydrophobicContact CE2-CB 3.66Å; A209-K358 CarbonylContact C-O 3.38Å; A209-K358 WeakPolarHBondContact CA-O 3.46Å
210	A	97.6	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.1	175.4	0	0	0	0	0	112.1	S80 K136 K358 A359 I360 F407	S80-A210 WeakPolarHBondContact OG-CB 3.41Å; K136-A210 CarbonylContact O-C 3.58Å; K136-A210 VanDerWaalsContact O-CA 3.3Å; K136-A210 WeakPolarHBondContact O-CA 3.45Å; A210-K358 PolarHBondContact N-O 2.95Å; A210-A359 CarbonylContact O-C 3.59Å; A210-A359 VanDerWaalsContact O-CA 3.3Å; A210-A359 WeakPolarHBondContact O-CA 3.15Å; A210-I360 PolarHBondContact O-N 3.37Å; A210-F407 HydrophobicContact CB-CE2 4.06Å; A210-F407 HydrophobicContact CB-CZ 3.65Å
211	H	97.7	Very high	96.7	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.028	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.2	168.4	166	-78.8	0	0	0	109.4	K136 R190 I191 I360	K136-H211 PolarHBondContact N-O 2.81Å; K136-H211 PolarHBondContact O-N 3.22Å; R190-H211 HydrophobicContact CB-CB 3.99Å; R190-H211 VanDerWaalsContact CB-CD2 3.45Å; R190-H211 WeakPolarHBondContact CB-CD2 3.34Å; R190-H211 VanDerWaalsContact CB-CG 3.47Å; I191-H211 HydrophobicContact CD1-CB 4.49Å; I191-H211 HydrophobicContact CG1-CB 4.29Å; H211-I360 CarbonylContact C-O 3.52Å; H211-I360 WeakPolarHBondContact CA-O 3.48Å
212	F	97.3	Very high	96.9	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.6	171.5	-172	-88.8	0	0	0	109.9	K133 L135 L267 V271 I360 L361 E362 L363 L397 F407	K133-F212 VanDerWaalsContact O-CE2 3.26Å; K133-F212 WeakPolarHBondContact O-CE2 3.46Å; L135-F212 HydrophobicContact CB-CD2 4.15Å; L135-F212 HydrophobicContact CD1-CD2 4.32Å; F212-L267 HydrophobicContact CE1-CD1 3.87Å; F212-L267 HydrophobicContact CZ-CD1 3.94Å; F212-V271 HydrophobicContact CE2-CG1 4.26Å; F212-V271 HydrophobicContact CE2-CG2 4.49Å; F212-V271 HydrophobicContact CZ-CG1 3.96Å; F212-I360 PolarHBondContact N-O 3.39Å; F212-L361 HydrophobicContact CB-CD1 4.22Å; F212-L361 HydrophobicContact CD1-CD1 3.75Å; F212-L361 HydrophobicContact CG-CD1 4.43Å; F212-L361 WeakPolarHBondContact O-CA 3.2Å; F212-E362 PolarHBondContact O-N 3.42Å; F212-L363 HydrophobicContact CE1-CD2 4.41Å; F212-L397 HydrophobicContact CD1-CD1 3.54Å; F212-L397 HydrophobicContact CE1-CD1 3.65Å; F212-L397 HydrophobicContact CG-CD1 4.09Å; F212-L397 HydrophobicContact CZ-CD1 4.29Å; F212-F407 HydrophobicContact CB-CD2 3.96Å; F212-F407 HydrophobicContact CB-CE2 3.43Å; F212-F407 VanDerWaalsContact CB-CE2 3.43Å; F212-F407 HydrophobicContact CB-CZ 3.82Å; F212-F407 HydrophobicContact CG-CE2 4.38Å
213	K	96.4	Very high	97	Very high	63 Å²	63	30.2 Å²	30.2	27%	0.274	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	111.6	165	-178.8	-178.9	178.8	-159.8	0	107.2	S134 E362 D366	S134-K213 WeakPolarHBondContact CB-O 3.49Å; K213-E362 WeakPolarHBondContact CA-O 3.38Å; K213-E362 HydrophobicContact CB-CB 4.21Å; K213-E362 HydrophobicContact CG-CB 4.02Å; K213-D366 WeakPolarHBondContact CE-OD2 3.31Å; K213-D366 IonicContact NZ-OD2 3.3Å; K213-D366 PolarHBondContact NZ-OD2 2.76Å
214	G	93.7	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.			trans	-76.8	150.1	-178.3	0	0	0	0	0	112.4	E362	G214-E362 PolarHBondContact N-O 3.03Å
215	T	96.8	Very high	97	Very high	40 Å²	40	35.1 Å²	35.1	25%	0.245	18%	0.18	C	C	.	.			trans	-124.5	122.4	166.6	-56	0	0	0	0	106.5	L267 T268	T215-L267 CarbonylContact O-C 3.51Å; T215-L267 VanDerWaalsContact O-CA 3.27Å; T215-L267 WeakPolarHBondContact O-CA 3.32Å; T215-L267 WeakPolarHBondContact O-CD2 3.43Å; T215-T268 HydrophobicContact CG2-CG2 3.83Å; T215-T268 PolarHBondContact O-N 2.89Å
216	W	97.8	Very high	96.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	149.7	-178.8	-57.9	109.7	0	0	0	112.1	T218 F220 L265 L267 A273 F275 L313 L363 N364 D366 G367 E368	W216-T218 WeakPolarHBondContact CB-O 3.45Å; W216-T218 PolarHBondContact O-N 3.12Å; W216-F220 AromaticContact CD1-CD2 3.62Å; W216-F220 AromaticContact CD1-CE2 3.7Å; W216-F220 HydrophobicContact CD2-CE2 4.04Å; W216-F220 AromaticContact CE2-CE2 3.76Å; W216-F220 HydrophobicContact CG-CD2 4.27Å; W216-F220 HydrophobicContact CG-CE2 4.01Å; W216-F220 HydrophobicContact CZ2-CE2 4.38Å; W216-F220 AromaticContact NE1-CD2 3.67Å; W216-F220 AromaticContact NE1-CE2 3.51Å; W216-L265 HydrophobicContact CE3-CB 4.07Å; W216-L265 HydrophobicContact CZ3-CB 3.74Å; W216-L267 HydrophobicContact CD2-CD2 3.83Å; W216-L267 HydrophobicContact CE3-CD2 3.41Å; W216-L267 VanDerWaalsContact CE3-CD2 3.41Å; W216-L267 HydrophobicContact CE3-CG 4.02Å; W216-L267 HydrophobicContact CG-CD2 4.45Å; W216-L267 HydrophobicContact CH2-CD2 4.33Å; W216-L267 HydrophobicContact CZ3-CD2 3.69Å; W216-L267 HydrophobicContact CZ3-CG 4.06Å; W216-A273 HydrophobicContact CH2-CB 4.25Å; W216-A273 HydrophobicContact CZ3-CB 3.96Å; W216-F275 HydrophobicContact CH2-CE2 4.4Å; W216-F275 HydrophobicContact CH2-CZ 4.13Å; W216-L313 HydrophobicContact CH2-CD2 3.86Å; W216-L313 HydrophobicContact CZ2-CD2 3.68Å; W216-L363 HydrophobicContact CH2-CD1 4.08Å; W216-L363 HydrophobicContact CH2-CD2 4.33Å; W216-L363 HydrophobicContact CZ2-CB 3.99Å; W216-L363 HydrophobicContact CZ2-CD1 4.25Å; W216-L363 HydrophobicContact CZ2-CD2 4.23Å; W216-L363 HydrophobicContact CZ2-CG 4.39Å; W216-N364 VanDerWaalsContact CD1-O 3.22Å; W216-N364 PolarHBondContact NE1-O 3.36Å; W216-D366 PolarHBondContact N-O 3.46Å; W216-G367 CarbonylContact O-C 3.55Å; W216-G367 WeakPolarHBondContact O-CA 3.35Å; W216-E368 PolarHBondContact O-N 3.34Å
217	G	94.6	Very high	96.9	Very high	16 Å²	16	43.1 Å²	43.1	17%	0.165	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	-35.8	168.9	0	0	0	0	0	112	P266 R369	G217-P266 PolarHBondContact N-O 3.31Å; G217-R369 WeakPolarHBondContact O-CB 3.33Å; G217-R369 PolarHBondContact O-N 2.73Å
218	T	94.7	Very high	97	Very high	39 Å²	39	47 Å²	47	24%	0.239	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.3	170.5	-56.6	0	0	0	0	108.9	W216	W216-T218 WeakPolarHBondContact CB-O 3.45Å; W216-T218 PolarHBondContact O-N 3.12Å
219	K	95.9	Very high	97	Very high	87 Å²	87	50.3 Å²	50.3	38%	0.378	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-69.9	156.2	-176.8	79.4	-170.2	-172.8	-175.6	0	111.8	E365 R369 S370	K219-E365 WeakPolarHBondContact CB-O 3.17Å; K219-R369 WeakPolarHBondContact CG-O 3.3Å; K219-R369 PolarHBondContact N-O 2.64Å; K219-S370 WeakPolarHBondContact CE-OG 3.44Å; K219-S370 PolarHBondContact NZ-OG 2.98Å
220	F	97.4	Very high	97.1	Very high	9 Å²	9	50.3 Å²	50.3	4%	0.039	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-86.5	144.2	165.5	-68	-95	0	0	0	109.9	W216 T222 M243 D245 L311 E365	W216-F220 AromaticContact CD1-CD2 3.62Å; W216-F220 AromaticContact CD1-CE2 3.7Å; W216-F220 HydrophobicContact CD2-CE2 4.04Å; W216-F220 AromaticContact CE2-CE2 3.76Å; W216-F220 HydrophobicContact CG-CD2 4.27Å; W216-F220 HydrophobicContact CG-CE2 4.01Å; W216-F220 HydrophobicContact CZ2-CE2 4.38Å; W216-F220 AromaticContact NE1-CD2 3.67Å; W216-F220 AromaticContact NE1-CE2 3.51Å; F220-T222 PolarHBondContact O-N 2.81Å; F220-M243 HydrophobicContact CB-CB 4.17Å; F220-M243 HydrophobicContact CD1-CB 3.71Å; F220-M243 HydrophobicContact CD2-CB 4.47Å; F220-M243 HydrophobicContact CD2-CE 4.31Å; F220-M243 HydrophobicContact CD2-SD 4.18Å; F220-M243 HydrophobicContact CE1-CB 4.19Å; F220-M243 HydrophobicContact CE2-CE 4.23Å; F220-M243 HydrophobicContact CG-CB 3.86Å; F220-M243 HydrophobicContact CG-SD 4.36Å; F220-D245 HydrophobicContact CD1-CB 4.22Å; F220-D245 HydrophobicContact CE1-CB 4.22Å; F220-L311 HydrophobicContact CE1-CD2 3.87Å; F220-L311 HydrophobicContact CE1-CG 4.33Å; F220-L311 HydrophobicContact CZ-CD2 3.73Å; F220-E365 HydrophobicContact CB-CB 4.02Å; F220-E365 HydrophobicContact CB-CG 4.19Å; F220-E365 PolarHBondContact N-O 3.03Å; F220-E365 VanDerWaalsContact N-O 3.09Å
221	D	96.9	Very high	97.1	Very high	79 Å²	79	52.9 Å²	52.9	42%	0.422	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-74.2	119.3	170.5	-172.2	-9.2	0	0	0	109.2	K223 M224	D221-K223 PolarHBondContact O-N 2.86Å; D221-K223 WeakPolarHBondContact OD1-CB 3.41Å; D221-K223 PolarHBondContact OD1-N 2.89Å; D221-M224 HydrophobicContact CB-CB 4.29Å; D221-M224 HydrophobicContact CB-CG 3.91Å; D221-M224 WeakPolarHBondContact O-CB 3.24Å; D221-M224 PolarHBondContact O-N 3.18Å
222	T	96.9	Very high	97.1	Very high	94 Å²	94	53.3 Å²	53.3	58%	0.577	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-60.7	-26	178.7	54.5	0	0	0	0	112.2	F220 M224 T225 E365	F220-T222 PolarHBondContact O-N 2.81Å; T222-M224 VanDerWaalsContact C-N 3.26Å; T222-M224 PolarHBondContact O-N 2.87Å; T222-T225 WeakPolarHBondContact O-CB 3.23Å; T222-T225 PolarHBondContact O-N 3.18Å; T222-E365 HydrophobicContact CG2-CB 3.83Å; T222-E365 HydrophobicContact CG2-CG 3.94Å
223	K	97.4	Very high	97	Very high	183 Å²	183	54.8 Å²	54.8	80%	0.796	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-70.4	-22.4	174.8	-62.8	175.7	-178.7	178.2	0	113.3	D221	D221-K223 PolarHBondContact O-N 2.86Å; D221-K223 WeakPolarHBondContact OD1-CB 3.41Å; D221-K223 PolarHBondContact OD1-N 2.89Å
224	M	97.4	Very high	96.9	Very high	89 Å²	89	59.2 Å²	59.2	44%	0.438	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-90.8	-4.4	177.7	-63	-65	-65	0	0	112.4	D221 T222	D221-M224 HydrophobicContact CB-CB 4.29Å; D221-M224 HydrophobicContact CB-CG 3.91Å; D221-M224 WeakPolarHBondContact O-CB 3.24Å; D221-M224 PolarHBondContact O-N 3.18Å; T222-M224 VanDerWaalsContact C-N 3.26Å; T222-M224 PolarHBondContact O-N 2.87Å
225	T	98.1	Very high	97	Very high	26 Å²	26	66.3 Å²	66.3	16%	0.16	35%	0.346	C	S	.	.			trans	-80.6	122.5	175.5	-60.2	0	0	0	0	109.5	T222 S241 M242 M243 K315 E365	T222-T225 WeakPolarHBondContact O-CB 3.23Å; T222-T225 PolarHBondContact O-N 3.18Å; T225-S241 WeakPolarHBondContact CG2-OG 3.48Å; T225-M242 WeakPolarHBondContact CA-O 3.48Å; T225-M243 HydrophobicContact CG2-CG 4.42Å; T225-K315 HydrophobicContact CG2-CD 4.36Å; T225-E365 PolarHBondContact OG1-OE1 3.13Å
226	A	98	Very high	97.1	Very high	47 Å²	47	70.5 Å²	70.5	39%	0.388	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.5	-176.6	0	0	0	0	0	111.4	K228 M242	A226-K228 PolarHBondContact O-N 2.93Å; A226-M242 PolarHBondContact N-O 2.96Å; A226-M242 PolarHBondContact O-N 3.08Å
227	L	98.4	Very high	97.1	Very high	125 Å²	125	74.6 Å²	74.6	65%	0.654	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	114.8	170.2	-71	177.6	0	0	0	109.6	K239 V240	L227-K239 HydrophobicContact CB-CB 4.44Å; L227-V240 WeakPolarHBondContact CA-O 3.18Å
228	K	98.3	Very high	97.2	Very high	81 Å²	81	74.6 Å²	74.6	35%	0.352	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	162.5	175.9	-65.6	-172.3	178	173.6	0	110.6	A226 K239 V240 M242 S244	A226-K228 PolarHBondContact O-N 2.93Å; K228-K239 WeakPolarHBondContact O-CA 3.3Å; K228-V240 PolarHBondContact N-O 3.45Å; K228-V240 PolarHBondContact O-N 3.39Å; K228-M242 HydrophobicContact CB-CB 3.78Å; K228-M242 HydrophobicContact CB-CG 4.26Å; K228-M242 HydrophobicContact CD-CB 3.96Å; K228-M242 HydrophobicContact CD-CG 3.94Å; K228-M242 HydrophobicContact CG-CB 3.96Å; K228-M242 HydrophobicContact CG-CG 4.44Å; K228-S244 PolarHBondContact NZ-OG 3.25Å
229	D	98.4	Very high	97.4	Very high	69 Å²	69	78.1 Å²	78.1	37%	0.369	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140.1	176.7	-68.4	-42.5	0	0	0	110.8	I237 V238 K239	D229-I237 HydrophobicContact CB-CG2 3.58Å; D229-I237 WeakPolarHBondContact OD1-CG2 3.34Å; D229-V238 CarbonylContact C-O 3.6Å; D229-V238 WeakPolarHBondContact CA-O 3.31Å; D229-K239 VanDerWaalsContact OD1-CD 3.23Å; D229-K239 WeakPolarHBondContact OD1-CD 3.39Å; D229-K239 WeakPolarHBondContact OD1-CE 3.34Å; D229-K239 IonicContact OD1-NZ 3Å; D229-K239 PolarHBondContact OD1-NZ 2.72Å; D229-K239 IonicContact OD2-NZ 2.7Å; D229-K239 PolarHBondContact OD2-NZ 2.66Å
230	F	98.6	Very high	97.5	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.7	166.9	-174.6	-76.3	0	0	0	107.2	L232 I237 V238 V240 D390 R391 F393 L412 P414	F230-L232 HydrophobicContact CD1-CD2 4.01Å; F230-L232 HydrophobicContact CE1-CD2 4.24Å; F230-I237 WeakPolarHBondContact O-CA 3.39Å; F230-V238 HydrophobicContact CB-CG2 4.09Å; F230-V238 HydrophobicContact CD1-CG2 4.45Å; F230-V238 PolarHBondContact N-O 2.59Å; F230-V238 PolarHBondContact O-N 2.84Å; F230-V240 HydrophobicContact CB-CB 4.47Å; F230-V240 HydrophobicContact CB-CG1 3.96Å; F230-V240 HydrophobicContact CB-CG2 3.68Å; F230-V240 HydrophobicContact CD2-CG2 4.4Å; F230-V240 HydrophobicContact CG-CG2 4.42Å; F230-D390 CarbonylContact C-O 3.56Å; F230-D390 VanDerWaalsContact CA-O 3.29Å; F230-D390 WeakPolarHBondContact CA-O 3.45Å; F230-D390 VanDerWaalsContact CD2-C 3.47Å; F230-R391 VanDerWaalsContact CZ-O 3.28Å; F230-R391 WeakPolarHBondContact CZ-O 3.4Å; F230-F393 HydrophobicContact CE2-CD1 4.34Å; F230-F393 HydrophobicContact CE2-CE1 4.14Å; F230-F393 HydrophobicContact CZ-CD1 4.38Å; F230-F393 HydrophobicContact CZ-CE1 4.39Å; F230-L412 WeakPolarHBondContact CE1-O 3.43Å; F230-P414 HydrophobicContact CD1-CG 4.37Å; F230-P414 HydrophobicContact CD2-CG 3.87Å; F230-P414 HydrophobicContact CE1-CG 4.49Å; F230-P414 HydrophobicContact CE2-CG 3.99Å; F230-P414 HydrophobicContact CG-CG 4.07Å; F230-P414 HydrophobicContact CZ-CG 4.3Å
231	H	98.5	Very high	97.5	Very high	54 Å²	54	76.2 Å²	76.2	25%	0.25	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	113.5	179.3	-61.8	-101	0	0	0	108.5	D233 R236 I237 V281 D390 R391 P392	H231-D233 VanDerWaalsContact C-N 3.31Å; H231-R236 CarbonylContact C-O 3.59Å; H231-I237 VanDerWaalsContact CE1-CD1 3.48Å; H231-I237 WeakPolarHBondContact CE1-CD1 3.45Å; H231-V281 HydrophobicContact CB-CG1 3.68Å; H231-V281 HydrophobicContact CB-CG2 3.99Å; H231-D390 PolarHBondContact N-O 3.11Å; H231-R391 HydrophobicContact CB-CB 4.33Å; H231-R391 WeakPolarHBondContact O-CA 3.32Å; H231-P392 WeakPolarHBondContact O-CD 3.31Å
232	L	97.6	Very high	97.6	Very high	16 Å²	16	72.5 Å²	72.5	8%	0.084	37%	0.366	C	S	.	.	S	Bend	trans	-71.9	-34.1	173.4	-56.7	-178.4	0	0	0	110.7	F230 R236 V238 Q283 P392 L412 D413	F230-L232 HydrophobicContact CD1-CD2 4.01Å; F230-L232 HydrophobicContact CE1-CD2 4.24Å; L232-R236 HydrophobicContact CB-CB 4.14Å; L232-R236 HydrophobicContact CD1-CB 4.28Å; L232-R236 PolarHBondContact N-O 2.84Å; L232-V238 HydrophobicContact CD1-CG1 3.69Å; L232-V238 HydrophobicContact CD2-CG1 4.28Å; L232-V238 HydrophobicContact CD2-CG2 3.8Å; L232-V238 HydrophobicContact CG-CG1 3.92Å; L232-V238 HydrophobicContact CG-CG2 4.18Å; L232-Q283 WeakPolarHBondContact O-CG 3.24Å; L232-Q283 PolarHBondContact O-NE2 3.17Å; L232-P392 WeakPolarHBondContact O-CG 3.39Å; L232-L412 WeakPolarHBondContact CD2-O 3.47Å; L232-D413 HydrophobicContact CD2-CB 3.75Å
233	D	95.9	Very high	97.7	Very high	32 Å²	32	68 Å²	68	17%	0.171	34%	0.338	C	S	.	.	S	Bend	trans	-160.2	-167.1	172.3	54.8	39	0	0	0	109.1	H231 D235 R236 V281	H231-D233 VanDerWaalsContact C-N 3.31Å; D233-D235 PolarHBondContact O-N 2.7Å; D233-D235 PolarHBondContact OD1-N 2.91Å; D233-R236 WeakPolarHBondContact OD1-CB 3.39Å; D233-R236 WeakPolarHBondContact OD1-CG 3.37Å; D233-R236 PolarHBondContact OD1-N 2.82Å; D233-R236 IonicContact OD1-NE 2.7Å; D233-R236 IonicContact OD2-CZ 2.62Å; D233-R236 IonicContact OD2-NE 3.26Å; D233-R236 PolarHBondContact OD2-NE 3.34Å; D233-R236 IonicContact OD2-NH2 2.65Å; D233-R236 PolarHBondContact OD2-NH2 3.02Å; D233-V281 WeakPolarHBondContact O-CG1 3.42Å
234	E	94.1	Very high	97.7	Very high	155 Å²	155	59.9 Å²	59.9	72%	0.724	30%	0.304	S	S	*	.	S	Bend	trans	-60.6	-28	-177	-61.4	-172.6	166.3	0	0	113.4
235	D	96.3	Very high	97.6	Very high	149 Å²	149	57.5 Å²	57.5	80%	0.797	29%	0.293	S	S	*	.	S	Bend	trans	-107.5	-29.8	-172.7	-62.7	-47.5	0	0	0	113.2	D233	D233-D235 PolarHBondContact O-N 2.7Å; D233-D235 PolarHBondContact OD1-N 2.91Å
236	R	97.5	Very high	97.4	Very high	129 Å²	129	59.6 Å²	59.6	49%	0.487	31%	0.307	S	S	.	.			trans	-105.6	124.2	-169.2	-61.6	-177	-63.7	170.6	-1.1	111.6	H231 L232 D233	H231-R236 CarbonylContact C-O 3.59Å; L232-R236 HydrophobicContact CB-CB 4.14Å; L232-R236 HydrophobicContact CD1-CB 4.28Å; L232-R236 PolarHBondContact N-O 2.84Å; D233-R236 WeakPolarHBondContact OD1-CB 3.39Å; D233-R236 WeakPolarHBondContact OD1-CG 3.37Å; D233-R236 PolarHBondContact OD1-N 2.82Å; D233-R236 IonicContact OD1-NE 2.7Å; D233-R236 IonicContact OD2-CZ 2.62Å; D233-R236 IonicContact OD2-NE 3.26Å; D233-R236 PolarHBondContact OD2-NE 3.34Å; D233-R236 IonicContact OD2-NH2 2.65Å; D233-R236 PolarHBondContact OD2-NH2 3.02Å
237	I	98.1	Very high	97.1	Very high	87 Å²	87	65 Å²	65	45%	0.446	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.3	178.7	-58.8	175.5	0	0	0	110.2	D229 F230 H231	D229-I237 HydrophobicContact CB-CG2 3.58Å; D229-I237 WeakPolarHBondContact OD1-CG2 3.34Å; F230-I237 WeakPolarHBondContact O-CA 3.39Å; H231-I237 VanDerWaalsContact CE1-CD1 3.48Å; H231-I237 WeakPolarHBondContact CE1-CD1 3.45Å
238	V	98	Very high	96.9	Very high	17 Å²	17	59.2 Å²	59.2	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	151.5	177	-58.2	0	0	0	0	110.3	D229 F230 L232 V240 R415	D229-V238 CarbonylContact C-O 3.6Å; D229-V238 WeakPolarHBondContact CA-O 3.31Å; F230-V238 HydrophobicContact CB-CG2 4.09Å; F230-V238 HydrophobicContact CD1-CG2 4.45Å; F230-V238 PolarHBondContact N-O 2.59Å; F230-V238 PolarHBondContact O-N 2.84Å; L232-V238 HydrophobicContact CD1-CG1 3.69Å; L232-V238 HydrophobicContact CD2-CG1 4.28Å; L232-V238 HydrophobicContact CD2-CG2 3.8Å; L232-V238 HydrophobicContact CG-CG1 3.92Å; L232-V238 HydrophobicContact CG-CG2 4.18Å; V238-V240 HydrophobicContact CG2-CG1 3.95Å; V238-R415 VanDerWaalsContact CG1-NH1 3.31Å
239	K	98	Very high	96.7	Very high	113 Å²	113	57.2 Å²	57.2	49%	0.491	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128.5	172.4	-68	-67	-173.5	-168.2	0	110.3	L227 K228 D229	L227-K239 HydrophobicContact CB-CB 4.44Å; K228-K239 WeakPolarHBondContact O-CA 3.3Å; D229-K239 VanDerWaalsContact OD1-CD 3.23Å; D229-K239 WeakPolarHBondContact OD1-CD 3.39Å; D229-K239 WeakPolarHBondContact OD1-CE 3.34Å; D229-K239 IonicContact OD1-NZ 3Å; D229-K239 PolarHBondContact OD1-NZ 2.72Å; D229-K239 IonicContact OD2-NZ 2.7Å; D229-K239 PolarHBondContact OD2-NZ 2.66Å
240	V	98.1	Very high	96.5	Very high	9 Å²	9	54.1 Å²	54.1	6%	0.055	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.4	179.3	-60.2	0	0	0	0	110.3	L227 K228 F230 V238 M242 P314 P414 R415	L227-V240 WeakPolarHBondContact CA-O 3.18Å; K228-V240 PolarHBondContact N-O 3.45Å; K228-V240 PolarHBondContact O-N 3.39Å; F230-V240 HydrophobicContact CB-CB 4.47Å; F230-V240 HydrophobicContact CB-CG1 3.96Å; F230-V240 HydrophobicContact CB-CG2 3.68Å; F230-V240 HydrophobicContact CD2-CG2 4.4Å; F230-V240 HydrophobicContact CG-CG2 4.42Å; V238-V240 HydrophobicContact CG2-CG1 3.95Å; V240-M242 HydrophobicContact CG2-CE 3.85Å; V240-M242 PolarHBondContact O-N 3.23Å; V240-M242 VanDerWaalsContact O-N 3.17Å; V240-P314 HydrophobicContact CG2-CB 4.32Å; V240-P414 HydrophobicContact CB-CG 4.16Å; V240-P414 HydrophobicContact CG1-CG 3.57Å; V240-P414 HydrophobicContact CG2-CG 4.37Å; V240-R415 HydrophobicContact CG1-CG 3.7Å
241	S	97.9	Very high	96.5	Very high	47 Å²	47	57 Å²	57	33%	0.329	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	109.5	174.4	-170.1	0	0	0	0	109.4	T225 P314 K315	T225-S241 WeakPolarHBondContact CG2-OG 3.48Å; S241-P314 WeakPolarHBondContact O-CA 3.38Å; S241-K315 PolarHBondContact O-N 2.9Å; S241-K315 WeakPolarHBondContact OG-CD 3.01Å
242	M	98.4	Very high	96.4	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.8	-172.9	-168.4	74.6	71.9	0	0	109.8	T225 A226 K228 V240 P314 D390	T225-M242 WeakPolarHBondContact CA-O 3.48Å; A226-M242 PolarHBondContact N-O 2.96Å; A226-M242 PolarHBondContact O-N 3.08Å; K228-M242 HydrophobicContact CB-CB 3.78Å; K228-M242 HydrophobicContact CB-CG 4.26Å; K228-M242 HydrophobicContact CD-CB 3.96Å; K228-M242 HydrophobicContact CD-CG 3.94Å; K228-M242 HydrophobicContact CG-CB 3.96Å; K228-M242 HydrophobicContact CG-CG 4.44Å; V240-M242 HydrophobicContact CG2-CE 3.85Å; V240-M242 PolarHBondContact O-N 3.23Å; V240-M242 VanDerWaalsContact O-N 3.17Å; M242-P314 HydrophobicContact SD-CB 4.18Å; M242-D390 HydrophobicContact CE-CB 4.26Å
243	M	98.4	Very high	96.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.9	171	-50.6	179.7	-63.5	0	0	108.5	F220 T225 S312 L313 K315 N364 E365	F220-M243 HydrophobicContact CB-CB 4.17Å; F220-M243 HydrophobicContact CD1-CB 3.71Å; F220-M243 HydrophobicContact CD2-CB 4.47Å; F220-M243 HydrophobicContact CD2-CE 4.31Å; F220-M243 HydrophobicContact CD2-SD 4.18Å; F220-M243 HydrophobicContact CE1-CB 4.19Å; F220-M243 HydrophobicContact CE2-CE 4.23Å; F220-M243 HydrophobicContact CG-CB 3.86Å; F220-M243 HydrophobicContact CG-SD 4.36Å; T225-M243 HydrophobicContact CG2-CG 4.42Å; M243-S312 CarbonylContact O-C 3.59Å; M243-S312 VanDerWaalsContact O-CA 3.23Å; M243-S312 WeakPolarHBondContact O-CA 3.38Å; M243-L313 WeakPolarHBondContact CB-O 3.5Å; M243-L313 HydrophobicContact CE-CB 4.15Å; M243-L313 HydrophobicContact CE-CD2 3.79Å; M243-L313 HydrophobicContact CE-CG 4.07Å; M243-L313 PolarHBondContact N-O 3.02Å; M243-L313 PolarHBondContact O-N 3.48Å; M243-K315 HydrophobicContact CG-CG 3.73Å; M243-K315 HydrophobicContact SD-CG 4.01Å; M243-N364 VanDerWaalsContact SD-O 3.37Å; M243-E365 HydrophobicContact CG-CG 3.96Å; M243-E365 HydrophobicContact SD-CB 4.42Å; M243-E365 HydrophobicContact SD-CG 3.86Å; M243-E365 PolarHBondContact SD-N 3.17Å
244	S	97.7	Very high	96.4	Very high	11 Å²	11	57.7 Å²	57.7	8%	0.077	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139	-176.8	-61	0	0	0	0	111.5	K228 L311	K228-S244 PolarHBondContact NZ-OG 3.25Å; S244-L311 WeakPolarHBondContact CA-O 3.29Å
245	D	96.2	Very high	96.6	Very high	39 Å²	39	50.4 Å²	50.4	21%	0.209	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	108.4	168	-178.7	-8.3	0	0	0	108.8	F220 K247 A248 L311	F220-D245 HydrophobicContact CD1-CB 4.22Å; F220-D245 HydrophobicContact CE1-CB 4.22Å; D245-K247 PolarHBondContact O-N 2.87Å; D245-K247 PolarHBondContact OD1-N 2.91Å; D245-A248 HydrophobicContact CB-CB 3.98Å; D245-A248 PolarHBondContact OD1-N 3.38Å; D245-A248 VanDerWaalsContact OD1-N 3.16Å; D245-A248 WeakPolarHBondContact OD2-CA 3.35Å; D245-L311 PolarHBondContact N-O 3.47Å; D245-L311 PolarHBondContact O-N 3.32Å
246	P	93.6	Very high	96.5	Very high	71 Å²	71	45.6 Å²	45.6	46%	0.461	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-8.3	-177.1	31	-35.6	0	0	0	113.8
247	K	91.8	Very high	96.4	Very high	161 Å²	161	44.2 Å²	44.2	70%	0.7	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	30.2	-177.9	-62.5	-178	-178	177.2	0	111.5	D245	D245-K247 PolarHBondContact O-N 2.87Å; D245-K247 PolarHBondContact OD1-N 2.91Å
248	A	93.7	Very high	96.2	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.017	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	141.8	-178.6	0	0	0	0	0	110.9	D245 H308 A309 L311	D245-A248 HydrophobicContact CB-CB 3.98Å; D245-A248 PolarHBondContact OD1-N 3.38Å; D245-A248 VanDerWaalsContact OD1-N 3.16Å; D245-A248 WeakPolarHBondContact OD2-CA 3.35Å; A248-H308 CarbonylContact O-C 3.59Å; A248-H308 WeakPolarHBondContact O-CA 3.43Å; A248-A309 PolarHBondContact N-O 3.47Å; A248-A309 PolarHBondContact O-N 3.29Å; A248-L311 HydrophobicContact CB-CB 3.68Å; A248-L311 HydrophobicContact CB-CD2 4.04Å
249	I	93.6	Very high	96.2	Very high	40 Å²	40	43.8 Å²	43.8	21%	0.205	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.8	165.2	-60.1	-175	0	0	0	107.2	T306 V307 P372 V376 A378	I249-T306 HydrophobicContact CG2-CG2 3.64Å; I249-V307 WeakPolarHBondContact CA-O 3.49Å; I249-P372 HydrophobicContact CB-CB 4.26Å; I249-P372 HydrophobicContact CB-CG 4.25Å; I249-P372 HydrophobicContact CD1-CB 3.52Å; I249-P372 HydrophobicContact CD1-CG 3.72Å; I249-P372 HydrophobicContact CG1-CB 4.04Å; I249-P372 HydrophobicContact CG1-CG 3.83Å; I249-V376 HydrophobicContact CG2-CG1 3.75Å; I249-A378 HydrophobicContact CD1-CB 4.17Å; I249-A378 HydrophobicContact CG1-CB 4.38Å; I249-A378 HydrophobicContact CG2-CB 3.99Å
250	L	95.1	Very high	96.1	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	167.5	-179.8	58.6	78.4	0	0	0	110.1	A263 L265 T306 V307 A309 L311	L250-A263 HydrophobicContact CD1-CB 4.16Å; L250-A263 HydrophobicContact CD2-CB 4.47Å; L250-L265 HydrophobicContact CB-CG 4.33Å; L250-T306 WeakPolarHBondContact O-CA 3.41Å; L250-V307 HydrophobicContact CD1-CG2 3.92Å; L250-V307 PolarHBondContact N-O 3.48Å; L250-V307 VanDerWaalsContact N-O 3.17Å; L250-V307 PolarHBondContact O-N 3.07Å; L250-A309 HydrophobicContact CD1-CB 4.29Å; L250-A309 HydrophobicContact CD2-CB 3.84Å; L250-A309 HydrophobicContact CG-CB 4.03Å; L250-L311 HydrophobicContact CD2-CB 4.36Å; L250-L311 HydrophobicContact CD2-CD1 4.1Å; L250-L311 HydrophobicContact CD2-CD2 4.16Å; L250-L311 HydrophobicContact CD2-CG 4.45Å
251	R	97.1	Very high	96.1	Very high	62 Å²	62	40.1 Å²	40.1	23%	0.234	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.1	171.1	-55	-178.3	63.4	-150.9	2.2	108.8	A263 Q264 D301 L304 K305	R251-A263 CarbonylContact O-C 3.47Å; R251-A263 VanDerWaalsContact O-CA 3.28Å; R251-A263 WeakPolarHBondContact O-CA 3.48Å; R251-Q264 HydrophobicContact CB-CB 4.26Å; R251-Q264 PolarHBondContact N-O 3.31Å; R251-Q264 VanDerWaalsContact N-O 3.11Å; R251-Q264 PolarHBondContact O-N 3.21Å; R251-D301 PolarHBondContact NH1-O 2.95Å; R251-D301 IonicContact NH1-OD1 2.66Å; R251-D301 PolarHBondContact NH1-OD1 2.86Å; R251-D301 PolarHBondContact NH2-O 3.46Å; R251-L304 HydrophobicContact CB-CB 3.87Å; R251-L304 HydrophobicContact CB-CD1 4.31Å; R251-L304 PolarHBondContact NH2-O 3.44Å; R251-K305 CarbonylContact C-O 3.53Å; R251-K305 WeakPolarHBondContact CA-O 3.25Å
252	Y	97.8	Very high	96.2	Very high	43 Å²	43	38 Å²	38	17%	0.169	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.2	-169.9	177.8	-96.5	0	0	0	112	K261 I262 K305 V307 I385 Y387	Y252-K261 HydrophobicContact CE2-CB 4.12Å; Y252-K261 HydrophobicContact CE2-CD 4.47Å; Y252-K261 HydrophobicContact CE2-CG 4.46Å; Y252-I262 WeakPolarHBondContact CA-O 3.49Å; Y252-I262 WeakPolarHBondContact CD2-O 3.19Å; Y252-K305 PolarHBondContact N-O 2.95Å; Y252-K305 PolarHBondContact O-N 3.15Å; Y252-V307 VanDerWaalsContact CB-CG2 3.46Å; Y252-V307 HydrophobicContact CG-CG2 4.29Å; Y252-I385 HydrophobicContact CD1-CD1 3.8Å; Y252-I385 HydrophobicContact CD1-CG2 4.49Å; Y252-I385 HydrophobicContact CD2-CG2 4.09Å; Y252-I385 HydrophobicContact CE1-CD1 4.15Å; Y252-I385 HydrophobicContact CE1-CG2 4.47Å; Y252-I385 HydrophobicContact CE2-CG2 4.04Å; Y252-I385 HydrophobicContact CG-CD1 4.28Å; Y252-I385 HydrophobicContact CG-CG2 4.31Å; Y252-Y387 HydrophobicContact CD2-CD2 4.02Å; Y252-Y387 HydrophobicContact CD2-CE2 4.41Å; Y252-Y387 AromaticContact CE2-CD2 3.84Å; Y252-Y387 HydrophobicContact CE2-CD2 3.84Å; Y252-Y387 HydrophobicContact CE2-CE2 4.23Å
253	G	96.9	Very high	96.2	Very high	9 Å²	9	37.9 Å²	37.9	9%	0.093	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	158	172	0	0	0	0	0	110.6	I262	G253-I262 PolarHBondContact N-O 2.85Å; G253-I262 PolarHBondContact O-N 2.68Å
254	F	97	Very high	96.2	Very high	64 Å²	64	38.5 Å²	38.5	28%	0.281	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.2	172.6	176.9	-107.7	0	0	0	108.5	C260 K261 T279	F254-C260 VanDerWaalsContact CD2-O 3.28Å; F254-C260 WeakPolarHBondContact CD2-O 3.02Å; F254-K261 HydrophobicContact CD2-CG 3.98Å; F254-K261 HydrophobicContact CE2-CG 4.48Å; F254-T279 HydrophobicContact CE2-CG2 3.56Å; F254-T279 HydrophobicContact CZ-CG2 4.22Å
255	D	96.8	Very high	96.2	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.1	175.3	-172.6	-38.9	0	0	0	108.4	F9 E257 L258 N259 C260 I262	F9-D255 WeakPolarHBondContact CE2-OD2 3.28Å; D255-E257 PolarHBondContact OD1-N 3.18Å; D255-L258 HydrophobicContact CB-CB 4.2Å; D255-L258 PolarHBondContact OD1-N 2.95Å; D255-L258 WeakPolarHBondContact OD2-CD1 3.46Å; D255-L258 WeakPolarHBondContact OD2-CG 3.36Å; D255-N259 VanDerWaalsContact O-CA 3.22Å; D255-N259 WeakPolarHBondContact O-CA 3.3Å; D255-N259 PolarHBondContact O-N 2.89Å; D255-C260 PolarHBondContact N-O 2.72Å; D255-C260 PolarHBondContact O-N 2.61Å; D255-I262 HydrophobicContact CB-CD1 4.2Å
256	S	95.1	Very high	96.2	Very high	48 Å²	48	40.3 Å²	40.3	34%	0.336	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-26.7	-179.2	45.3	0	0	0	0	113.5	L7	L7-S256 PolarHBondContact O-OG 2.98Å
257	E	94.3	Very high	96.4	Very high	100 Å²	100	37.4 Å²	37.4	47%	0.467	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-42.6	-179.3	-64.3	179.7	-163.4	0	0	110.1	F9 D255 N259	F9-E257 PolarHBondContact N-OE1 2.84Å; D255-E257 PolarHBondContact OD1-N 3.18Å; E257-N259 VanDerWaalsContact C-N 3.31Å
258	L	95.7	Very high	96.5	Very high	23 Å²	23	31.1 Å²	31.1	12%	0.12	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-9.8	174.1	-58	-175.3	0	0	0	113.2	D255 C260 L287 I288 F296	D255-L258 HydrophobicContact CB-CB 4.2Å; D255-L258 PolarHBondContact OD1-N 2.95Å; D255-L258 WeakPolarHBondContact OD2-CD1 3.46Å; D255-L258 WeakPolarHBondContact OD2-CG 3.36Å; L258-C260 VanDerWaalsContact C-N 3.26Å; L258-C260 PolarHBondContact O-N 2.9Å; L258-L287 HydrophobicContact CD2-CB 4.24Å; L258-I288 HydrophobicContact CB-CG1 4.38Å; L258-F296 HydrophobicContact CD1-CE1 4.43Å; L258-F296 HydrophobicContact CD1-CE2 4.21Å; L258-F296 HydrophobicContact CD1-CZ 3.6Å
259	N	95.9	Very high	96.5	Very high	73 Å²	73	32.2 Å²	32.2	39%	0.39	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	47.6	-176.2	-173.1	27.2	0	0	0	112	D255 E257 T279	D255-N259 VanDerWaalsContact O-CA 3.22Å; D255-N259 WeakPolarHBondContact O-CA 3.3Å; D255-N259 PolarHBondContact O-N 2.89Å; E257-N259 VanDerWaalsContact C-N 3.31Å; N259-T279 PolarHBondContact ND2-OG1 2.97Å; N259-T279 WeakPolarHBondContact O-CG2 3.41Å; N259-T279 PolarHBondContact O-N 2.65Å; N259-T279 VanDerWaalsContact O-N 3.11Å; N259-T279 PolarHBondContact O-OG1 3.41Å; N259-T279 VanDerWaalsContact OD1-CG2 3.3Å; N259-T279 WeakPolarHBondContact OD1-CG2 3.42Å; N259-T279 PolarHBondContact OD1-OG1 3.36Å
260	C	97.5	Very high	96.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.7	-176.2	82.8	0	0	0	0	112.8	F254 D255 L258 L277 I288	F254-C260 VanDerWaalsContact CD2-O 3.28Å; F254-C260 WeakPolarHBondContact CD2-O 3.02Å; D255-C260 PolarHBondContact N-O 2.72Å; D255-C260 PolarHBondContact O-N 2.61Å; L258-C260 VanDerWaalsContact C-N 3.26Å; L258-C260 PolarHBondContact O-N 2.9Å; C260-L277 CarbonylContact C-O 3.54Å; C260-L277 WeakPolarHBondContact CA-O 3.49Å; C260-I288 HydrophobicContact CB-CD1 3.74Å; C260-I288 HydrophobicContact CB-CG1 4.41Å
261	K	98.4	Very high	96.7	Very high	44 Å²	44	31.6 Å²	31.6	19%	0.191	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.4	173	-64.8	-170.5	-79.6	-178.2	0	108.5	Y252 F254 L277 E386 Y387	Y252-K261 HydrophobicContact CE2-CB 4.12Å; Y252-K261 HydrophobicContact CE2-CD 4.47Å; Y252-K261 HydrophobicContact CE2-CG 4.46Å; F254-K261 HydrophobicContact CD2-CG 3.98Å; F254-K261 HydrophobicContact CE2-CG 4.48Å; K261-L277 PolarHBondContact N-O 2.99Å; K261-L277 WeakPolarHBondContact O-CB 3.39Å; K261-L277 PolarHBondContact O-N 2.81Å; K261-E386 PolarHBondContact NZ-O 2.78Å; K261-Y387 HydrophobicContact CB-CD2 4.18Å; K261-Y387 HydrophobicContact CB-CE2 3.65Å; K261-Y387 WeakPolarHBondContact O-CE2 3.1Å; K261-Y387 PolarHBondContact O-OH 3.32Å
262	I	98.7	Very high	96.8	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.3	-179	-52	174.2	0	0	0	108.8	Y252 G253 D255 T274 F275 F276 V300 L304	Y252-I262 WeakPolarHBondContact CA-O 3.49Å; Y252-I262 WeakPolarHBondContact CD2-O 3.19Å; G253-I262 PolarHBondContact N-O 2.85Å; G253-I262 PolarHBondContact O-N 2.68Å; D255-I262 HydrophobicContact CB-CD1 4.2Å; I262-T274 HydrophobicContact CG2-CG2 3.67Å; I262-F275 VanDerWaalsContact CA-O 3.32Å; I262-F275 WeakPolarHBondContact CA-O 3.21Å; I262-F276 HydrophobicContact CD1-CD1 3.85Å; I262-F276 HydrophobicContact CD1-CE1 3.75Å; I262-F276 HydrophobicContact CG1-CD1 3.78Å; I262-F276 HydrophobicContact CG1-CE1 4.11Å; I262-F276 HydrophobicContact CG2-CD1 4.36Å; I262-F276 HydrophobicContact CG2-CE1 4.23Å; I262-V300 HydrophobicContact CD1-CG1 4.13Å; I262-V300 HydrophobicContact CD1-CG2 4.14Å; I262-V300 HydrophobicContact CG2-CG1 3.82Å; I262-L304 HydrophobicContact CB-CD2 4.11Å; I262-L304 HydrophobicContact CG2-CD1 4.4Å; I262-L304 HydrophobicContact CG2-CD2 4.02Å
263	A	98.6	Very high	96.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.7	171.7	0	0	0	0	0	110.7	L250 R251 T274 F275 Y387	L250-A263 HydrophobicContact CD1-CB 4.16Å; L250-A263 HydrophobicContact CD2-CB 4.47Å; R251-A263 CarbonylContact O-C 3.47Å; R251-A263 VanDerWaalsContact O-CA 3.28Å; R251-A263 WeakPolarHBondContact O-CA 3.48Å; A263-T274 CarbonylContact O-C 3.51Å; A263-T274 WeakPolarHBondContact O-CA 3.28Å; A263-F275 PolarHBondContact N-O 2.76Å; A263-F275 VanDerWaalsContact N-O 3.08Å; A263-F275 PolarHBondContact O-N 2.97Å; A263-Y387 HydrophobicContact CB-CD1 3.83Å; A263-Y387 HydrophobicContact CB-CD2 3.89Å; A263-Y387 HydrophobicContact CB-CE1 3.48Å; A263-Y387 VanDerWaalsContact CB-CE1 3.48Å; A263-Y387 HydrophobicContact CB-CE2 3.54Å; A263-Y387 HydrophobicContact CB-CG 4.02Å; A263-Y387 PolarHBondContact N-OH 3.1Å
264	Q	98.6	Very high	96.9	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.2	174.6	-175.4	-169.2	79	0	0	110.1	R251 A273 D301 L304	R251-Q264 HydrophobicContact CB-CB 4.26Å; R251-Q264 PolarHBondContact N-O 3.31Å; R251-Q264 VanDerWaalsContact N-O 3.11Å; R251-Q264 PolarHBondContact O-N 3.21Å; Q264-A273 CarbonylContact C-O 3.53Å; Q264-A273 VanDerWaalsContact CA-O 3.3Å; Q264-A273 WeakPolarHBondContact CA-O 3.37Å; Q264-D301 PolarHBondContact NE2-OD1 3.27Å; Q264-D301 PolarHBondContact OE1-OD1 3.38Å; Q264-L304 HydrophobicContact CB-CD1 3.59Å
265	L	97.9	Very high	97	Very high	15 Å²	15	23.3 Å²	23.3	8%	0.079	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.6	175.6	-74.6	111.4	0	0	0	110.5	W216 L250 A273 F275 L311	W216-L265 HydrophobicContact CE3-CB 4.07Å; W216-L265 HydrophobicContact CZ3-CB 3.74Å; L250-L265 HydrophobicContact CB-CG 4.33Å; L265-A273 PolarHBondContact N-O 3.4Å; L265-A273 PolarHBondContact O-N 3.24Å; L265-F275 HydrophobicContact CD1-CD2 3.93Å; L265-F275 HydrophobicContact CD1-CE2 3.68Å; L265-L311 HydrophobicContact CD1-CD2 4.23Å; L265-L311 HydrophobicContact CD2-CD2 3.61Å; L265-L311 HydrophobicContact CG-CD2 4.48Å
266	P	96.9	Very high	97.1	Very high	72 Å²	72	23.2 Å²	23.2	47%	0.468	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	138	176.9	31	-34	0	0	0	111.5	G217	G217-P266 PolarHBondContact N-O 3.31Å
267	L	97	Very high	97.3	Very high	10 Å²	10	21 Å²	21	5%	0.052	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	161.4	166	-65.1	158.2	0	0	0	109.2	F212 T215 W216 V271 A273 L363 L397	F212-L267 HydrophobicContact CE1-CD1 3.87Å; F212-L267 HydrophobicContact CZ-CD1 3.94Å; T215-L267 CarbonylContact O-C 3.51Å; T215-L267 VanDerWaalsContact O-CA 3.27Å; T215-L267 WeakPolarHBondContact O-CA 3.32Å; T215-L267 WeakPolarHBondContact O-CD2 3.43Å; W216-L267 HydrophobicContact CD2-CD2 3.83Å; W216-L267 HydrophobicContact CE3-CD2 3.41Å; W216-L267 VanDerWaalsContact CE3-CD2 3.41Å; W216-L267 HydrophobicContact CE3-CG 4.02Å; W216-L267 HydrophobicContact CG-CD2 4.45Å; W216-L267 HydrophobicContact CH2-CD2 4.33Å; W216-L267 HydrophobicContact CZ3-CD2 3.69Å; W216-L267 HydrophobicContact CZ3-CG 4.06Å; L267-V271 CarbonylContact C-O 3.55Å; L267-V271 WeakPolarHBondContact CA-O 3.3Å; L267-V271 HydrophobicContact CB-CB 4.24Å; L267-V271 VanDerWaalsContact CB-O 3.29Å; L267-V271 WeakPolarHBondContact CB-O 3.36Å; L267-V271 HydrophobicContact CD1-CG1 3.98Å; L267-V271 PolarHBondContact N-O 3.22Å; L267-A273 HydrophobicContact CD1-CB 4.08Å; L267-L363 HydrophobicContact CD2-CD2 4.24Å; L267-L397 HydrophobicContact CD1-CD2 4.05Å
268	T	94.8	Very high	97.4	Very high	30 Å²	30	16.6 Å²	16.6	18%	0.184	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	150.1	173.3	61	0	0	0	0	111.1	T215 E368	T215-T268 HydrophobicContact CG2-CG2 3.83Å; T215-T268 PolarHBondContact O-N 2.89Å; T268-E368 HydrophobicContact CG2-CB 4.03Å
269	G	93.6	Very high	97.5	Very high	25 Å²	25	17.9 Å²	17.9	26%	0.258	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	19	175.1	0	0	0	0	0	114.7	E132 K133	E132-G269 WeakPolarHBondContact O-CA 3.18Å; K133-G269 WeakPolarHBondContact CG-O 3.02Å
270	G	95.6	Very high	97.5	Very high	30 Å²	30	21.5 Å²	21.5	31%	0.309	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	43	179.5	0	0	0	0	0	112.1	D400	G270-D400 WeakPolarHBondContact O-CB 3.23Å; G270-D400 PolarHBondContact O-N 2.95Å
271	V	97.5	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.2	175.4	178.5	0	0	0	0	107.6	K133 F212 L267 R398 D400 L406	K133-V271 HydrophobicContact CB-CG2 4.43Å; F212-V271 HydrophobicContact CE2-CG1 4.26Å; F212-V271 HydrophobicContact CE2-CG2 4.49Å; F212-V271 HydrophobicContact CZ-CG1 3.96Å; L267-V271 CarbonylContact C-O 3.55Å; L267-V271 WeakPolarHBondContact CA-O 3.3Å; L267-V271 HydrophobicContact CB-CB 4.24Å; L267-V271 VanDerWaalsContact CB-O 3.29Å; L267-V271 WeakPolarHBondContact CB-O 3.36Å; L267-V271 HydrophobicContact CD1-CG1 3.98Å; L267-V271 PolarHBondContact N-O 3.22Å; V271-R398 WeakPolarHBondContact CA-O 3.36Å; V271-R398 WeakPolarHBondContact CG1-O 3.1Å; V271-D400 PolarHBondContact N-OD2 2.91Å; V271-L406 HydrophobicContact CG1-CD1 3.99Å; V271-L406 HydrophobicContact CG2-CD1 3.9Å
272	S	97.9	Very high	97.4	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.014	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.3	174.5	53.9	0	0	0	0	111.3	L397 R398 D400	S272-L397 WeakPolarHBondContact O-CA 3.48Å; S272-R398 PolarHBondContact N-O 3.49Å; S272-R398 PolarHBondContact O-N 2.9Å; S272-D400 WeakPolarHBondContact CB-OD1 3.23Å; S272-D400 PolarHBondContact N-OD1 2.83Å; S272-D400 PolarHBondContact OG-OD1 2.9Å
273	A	98.5	Very high	97.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.6	171.9	0	0	0	0	0	109.3	W216 Q264 L265 L267 F275 L395 L397	W216-A273 HydrophobicContact CH2-CB 4.25Å; W216-A273 HydrophobicContact CZ3-CB 3.96Å; Q264-A273 CarbonylContact C-O 3.53Å; Q264-A273 VanDerWaalsContact CA-O 3.3Å; Q264-A273 WeakPolarHBondContact CA-O 3.37Å; L265-A273 PolarHBondContact N-O 3.4Å; L265-A273 PolarHBondContact O-N 3.24Å; L267-A273 HydrophobicContact CD1-CB 4.08Å; A273-F275 HydrophobicContact CB-CE2 3.82Å; A273-F275 HydrophobicContact CB-CZ 4.16Å; A273-L395 HydrophobicContact CB-CD1 4.11Å; A273-L397 HydrophobicContact CB-CD2 3.44Å; A273-L397 VanDerWaalsContact CB-CD2 3.44Å
274	T	98.8	Very high	97.2	Very high	1 Å²	1	31 Å²	31	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.2	177.5	-53.2	0	0	0	0	109.7	I262 A263 F276 L395 V396	I262-T274 HydrophobicContact CG2-CG2 3.67Å; A263-T274 CarbonylContact O-C 3.51Å; A263-T274 WeakPolarHBondContact O-CA 3.28Å; T274-F276 HydrophobicContact CG2-CD2 4.4Å; T274-F276 HydrophobicContact CG2-CE2 3.74Å; T274-F276 HydrophobicContact CG2-CZ 3.92Å; T274-L395 WeakPolarHBondContact O-CA 3.5Å; T274-V396 PolarHBondContact N-O 3.46Å; T274-V396 PolarHBondContact O-N 3.29Å
275	F	98.8	Very high	97.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.6	-179.7	-60.8	-91.3	0	0	0	109.3	W216 I262 A263 L265 A273 L313 I316 Y387 F393 L394 L395	W216-F275 HydrophobicContact CH2-CE2 4.4Å; W216-F275 HydrophobicContact CH2-CZ 4.13Å; I262-F275 VanDerWaalsContact CA-O 3.32Å; I262-F275 WeakPolarHBondContact CA-O 3.21Å; A263-F275 PolarHBondContact N-O 2.76Å; A263-F275 VanDerWaalsContact N-O 3.08Å; A263-F275 PolarHBondContact O-N 2.97Å; L265-F275 HydrophobicContact CD1-CD2 3.93Å; L265-F275 HydrophobicContact CD1-CE2 3.68Å; A273-F275 HydrophobicContact CB-CE2 3.82Å; A273-F275 HydrophobicContact CB-CZ 4.16Å; F275-L313 HydrophobicContact CD1-CD1 3.91Å; F275-L313 HydrophobicContact CE1-CD1 3.4Å; F275-L313 HydrophobicContact CE1-CD2 4.27Å; F275-L313 HydrophobicContact CE1-CG 4.45Å; F275-L313 HydrophobicContact CE2-CD1 4.37Å; F275-L313 HydrophobicContact CE2-CD2 4.4Å; F275-L313 HydrophobicContact CZ-CD1 3.67Å; F275-L313 HydrophobicContact CZ-CD2 3.75Å; F275-L313 HydrophobicContact CZ-CG 4.38Å; F275-I316 HydrophobicContact CE1-CD1 4.48Å; F275-Y387 HydrophobicContact CB-CE1 4.19Å; F275-Y387 WeakPolarHBondContact CB-OH 3.38Å; F275-Y387 PolarHBondContact O-OH 3.43Å; F275-F393 AromaticContact CD1-CD2 3.89Å; F275-F393 HydrophobicContact CD1-CD2 3.89Å; F275-F393 AromaticContact CD1-CE2 3.79Å; F275-F393 HydrophobicContact CD1-CE2 3.79Å; F275-F393 HydrophobicContact CE1-CE2 4.01Å; F275-L394 WeakPolarHBondContact CA-O 3.34Å; F275-L395 HydrophobicContact CD1-CD1 3.97Å; F275-L395 HydrophobicContact CE1-CD1 3.6Å; F275-L395 HydrophobicContact CE1-CD2 4.45Å; F275-L395 HydrophobicContact CE1-CG 4.44Å; F275-L395 HydrophobicContact CE2-CD1 4.3Å; F275-L395 HydrophobicContact CG-CD1 4.47Å; F275-L395 HydrophobicContact CZ-CD1 3.78Å
276	F	98.8	Very high	97.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.2	172.1	-57.9	-101.6	0	0	0	108.1	I262 T274 I288 L292 F296 F393 L394 V396	I262-F276 HydrophobicContact CD1-CD1 3.85Å; I262-F276 HydrophobicContact CD1-CE1 3.75Å; I262-F276 HydrophobicContact CG1-CD1 3.78Å; I262-F276 HydrophobicContact CG1-CE1 4.11Å; I262-F276 HydrophobicContact CG2-CD1 4.36Å; I262-F276 HydrophobicContact CG2-CE1 4.23Å; T274-F276 HydrophobicContact CG2-CD2 4.4Å; T274-F276 HydrophobicContact CG2-CE2 3.74Å; T274-F276 HydrophobicContact CG2-CZ 3.92Å; F276-I288 HydrophobicContact CB-CD1 4.4Å; F276-I288 HydrophobicContact CB-CG2 3.8Å; F276-I288 HydrophobicContact CD1-CG2 3.86Å; F276-I288 HydrophobicContact CG-CG2 3.92Å; F276-L292 HydrophobicContact CE1-CD2 4.43Å; F276-L292 HydrophobicContact CE2-CD2 4.1Å; F276-L292 HydrophobicContact CZ-CD2 3.96Å; F276-F296 AromaticContact CE1-CE1 3.84Å; F276-F296 HydrophobicContact CE1-CE1 3.84Å; F276-F296 HydrophobicContact CE1-CZ 4.36Å; F276-F296 HydrophobicContact CZ-CE1 4.3Å; F276-F393 WeakPolarHBondContact O-CA 3.38Å; F276-F393 WeakPolarHBondContact O-CB 3.4Å; F276-L394 HydrophobicContact CB-CB 4.14Å; F276-L394 HydrophobicContact CD2-CB 4.26Å; F276-L394 PolarHBondContact N-O 2.92Å; F276-L394 PolarHBondContact O-N 2.79Å; F276-V396 HydrophobicContact CE2-CB 4.43Å; F276-V396 HydrophobicContact CE2-CG2 4Å
277	L	98.7	Very high	97.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	107.6	-172.6	-179.7	68.8	0	0	0	109.5	C260 K261 Y387 H388 R391 F393	C260-L277 CarbonylContact C-O 3.54Å; C260-L277 WeakPolarHBondContact CA-O 3.49Å; K261-L277 PolarHBondContact N-O 2.99Å; K261-L277 WeakPolarHBondContact O-CB 3.39Å; K261-L277 PolarHBondContact O-N 2.81Å; L277-Y387 HydrophobicContact CB-CE2 4.34Å; L277-Y387 WeakPolarHBondContact CB-OH 3.33Å; L277-Y387 HydrophobicContact CD2-CE1 4.33Å; L277-Y387 HydrophobicContact CD2-CE2 4.28Å; L277-H388 WeakPolarHBondContact CD2-O 3.27Å; L277-R391 HydrophobicContact CD1-CG 3.69Å; L277-F393 HydrophobicContact CD1-CB 4.14Å
278	P	98.1	Very high	97.2	Very high	9 Å²	9	34.1 Å²	34.1	6%	0.058	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	149.2	174.8	-22.1	30.8	0	0	0	111.9	T282 L285 I288 R391 P392	P278-T282 HydrophobicContact CB-CG2 3.95Å; P278-T282 HydrophobicContact CG-CG2 4.22Å; P278-L285 HydrophobicContact CG-CD2 3.24Å; P278-I288 HydrophobicContact CG-CD1 4.06Å; P278-R391 VanDerWaalsContact O-CZ 3.32Å; P278-R391 PolarHBondContact O-NE 3.29Å; P278-R391 PolarHBondContact O-NH2 3.48Å; P278-P392 WeakPolarHBondContact CD-O 3.47Å
279	T	96.3	Very high	97.3	Very high	50 Å²	50	33.6 Å²	33.6	31%	0.307	19%	0.19	S	C	.	.	S	Bend	trans	-68.5	-39.3	177.2	52.4	0	0	0	0	112.5	F254 N259	F254-T279 HydrophobicContact CE2-CG2 3.56Å; F254-T279 HydrophobicContact CZ-CG2 4.22Å; N259-T279 PolarHBondContact ND2-OG1 2.97Å; N259-T279 WeakPolarHBondContact O-CG2 3.41Å; N259-T279 PolarHBondContact O-N 2.65Å; N259-T279 VanDerWaalsContact O-N 3.11Å; N259-T279 PolarHBondContact O-OG1 3.41Å; N259-T279 VanDerWaalsContact OD1-CG2 3.3Å; N259-T279 WeakPolarHBondContact OD1-CG2 3.42Å; N259-T279 PolarHBondContact OD1-OG1 3.36Å
280	K	96.4	Very high	97.5	Very high	148 Å²	148	38.3 Å²	38.3	64%	0.643	21%	0.205	S	C	*	.	S	Bend	trans	-91.5	156.5	175.4	-62.6	-176.1	179.9	-178.3	0	111	T282	K280-T282 PolarHBondContact O-N 2.96Å
281	V	97.9	Very high	97.7	Very high	34 Å²	34	38.9 Å²	38.9	21%	0.206	21%	0.205	C	C	.	.			trans	-71.2	113.4	167.4	179.6	0	0	0	0	108	H231 D233 R391	H231-V281 HydrophobicContact CB-CG1 3.68Å; H231-V281 HydrophobicContact CB-CG2 3.99Å; D233-V281 WeakPolarHBondContact O-CG1 3.42Å; V281-R391 HydrophobicContact CG1-CB 4.34Å; V281-R391 HydrophobicContact CG2-CB 4.11Å
282	T	96.9	Very high	97.7	Very high	47 Å²	47	38.9 Å²	38.9	29%	0.288	21%	0.205	S	C	.	.			trans	-156.8	147.9	-180	-179.1	0	0	0	0	110.3	P278 K280 N284 P392	P278-T282 HydrophobicContact CB-CG2 3.95Å; P278-T282 HydrophobicContact CG-CG2 4.22Å; K280-T282 PolarHBondContact O-N 2.96Å; T282-N284 PolarHBondContact OG1-N 3.45Å; T282-P392 WeakPolarHBondContact O-CB 3.34Å; T282-P392 WeakPolarHBondContact O-CG 3.29Å
283	Q	96.7	Very high	97.7	Very high	56 Å²	56	41 Å²	41	26%	0.262	22%	0.217	S	C	.	.	S	Bend	trans	-91.4	-11.5	168.5	-62.6	-173.6	-13.5	0	0	112.3	L232 L285 P392 L412	L232-Q283 WeakPolarHBondContact O-CG 3.24Å; L232-Q283 PolarHBondContact O-NE2 3.17Å; Q283-L285 PolarHBondContact O-N 3.45Å; Q283-P392 HydrophobicContact CG-CG 4.03Å; Q283-L412 HydrophobicContact CB-CD2 4.22Å; Q283-L412 HydrophobicContact CG-CD2 4.29Å
284	N	95.9	Very high	97.7	Very high	108 Å²	108	41 Å²	41	58%	0.578	22%	0.218	S	C	*	.			trans	-79.1	103.8	175.3	-177.2	-10.7	0	0	0	109.3	T282 T286	T282-N284 PolarHBondContact OG1-N 3.45Å; N284-T286 WeakPolarHBondContact OD1-CB 3.2Å; N284-T286 PolarHBondContact OD1-N 3.03Å; N284-T286 PolarHBondContact OD1-OG1 3.38Å; N284-T286 VanDerWaalsContact OD1-OG1 3.07Å
285	L	97.4	Very high	97.7	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	24%	0.235	C	C	.	.			trans	-109	9.8	177.9	-54.4	178.8	0	0	0	111.8	P278 Q283 L287 I288 E289 L394 K410	P278-L285 HydrophobicContact CG-CD2 3.24Å; Q283-L285 PolarHBondContact O-N 3.45Å; L285-L287 PolarHBondContact O-N 2.64Å; L285-I288 HydrophobicContact CD2-CD1 4.48Å; L285-I288 WeakPolarHBondContact O-CA 3.41Å; L285-I288 WeakPolarHBondContact O-CB 3.24Å; L285-I288 PolarHBondContact O-N 3.07Å; L285-E289 HydrophobicContact CB-CG 4.17Å; L285-E289 WeakPolarHBondContact O-CG 3.4Å; L285-E289 PolarHBondContact O-N 2.93Å; L285-L394 HydrophobicContact CB-CD2 4.35Å; L285-L394 HydrophobicContact CB-CG 4.42Å; L285-L394 HydrophobicContact CD1-CD2 3.41Å; L285-L394 VanDerWaalsContact CD1-CD2 3.41Å; L285-L394 HydrophobicContact CD1-CG 3.86Å; L285-L394 HydrophobicContact CG-CD2 4.49Å; L285-K410 HydrophobicContact CD1-CD 4.27Å; L285-K410 HydrophobicContact CD1-CG 3.96Å
286	T	96.6	Very high	97.7	Very high	59 Å²	59	45.7 Å²	45.7	36%	0.362	24%	0.239	S	C	.	.	H	α-helix	trans	-56.1	-44.8	-165.8	-60.1	0	0	0	0	113.1	N284 I288 E289 E290	N284-T286 WeakPolarHBondContact OD1-CB 3.2Å; N284-T286 PolarHBondContact OD1-N 3.03Å; N284-T286 PolarHBondContact OD1-OG1 3.38Å; N284-T286 VanDerWaalsContact OD1-OG1 3.07Å; T286-I288 VanDerWaalsContact C-N 3.29Å; T286-I288 PolarHBondContact O-N 2.9Å; T286-E289 PolarHBondContact O-N 3.23Å; T286-E289 VanDerWaalsContact O-N 3.16Å; T286-E290 HydrophobicContact CG2-CG 4.15Å; T286-E290 WeakPolarHBondContact CG2-OE1 3.37Å; T286-E290 WeakPolarHBondContact O-CB 3.37Å; T286-E290 VanDerWaalsContact O-CG 3.31Å; T286-E290 WeakPolarHBondContact O-CG 3.36Å; T286-E290 PolarHBondContact O-N 2.82Å
287	L	97.2	Very high	97.6	Very high	108 Å²	108	45.7 Å²	45.7	57%	0.565	24%	0.24	S	C	*	.	H	α-helix	trans	-60.3	-39.8	177.8	-66.2	177.7	0	0	0	112.2	L258 L285 S291	L258-L287 HydrophobicContact CD2-CB 4.24Å; L285-L287 PolarHBondContact O-N 2.64Å; L287-S291 PolarHBondContact O-N 2.98Å; L287-S291 PolarHBondContact O-OG 3.34Å
288	I	98.3	Very high	97.6	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-67.6	-47.3	176.5	-51.5	175	0	0	0	109.2	L258 C260 F276 P278 L285 T286 E290 S291 L292 L394	L258-I288 HydrophobicContact CB-CG1 4.38Å; C260-I288 HydrophobicContact CB-CD1 3.74Å; C260-I288 HydrophobicContact CB-CG1 4.41Å; F276-I288 HydrophobicContact CB-CD1 4.4Å; F276-I288 HydrophobicContact CB-CG2 3.8Å; F276-I288 HydrophobicContact CD1-CG2 3.86Å; F276-I288 HydrophobicContact CG-CG2 3.92Å; P278-I288 HydrophobicContact CG-CD1 4.06Å; L285-I288 HydrophobicContact CD2-CD1 4.48Å; L285-I288 WeakPolarHBondContact O-CA 3.41Å; L285-I288 WeakPolarHBondContact O-CB 3.24Å; L285-I288 PolarHBondContact O-N 3.07Å; T286-I288 VanDerWaalsContact C-N 3.29Å; T286-I288 PolarHBondContact O-N 2.9Å; I288-E290 VanDerWaalsContact C-N 3.32Å; I288-E290 PolarHBondContact O-N 3.49Å; I288-S291 PolarHBondContact O-N 2.99Å; I288-L292 WeakPolarHBondContact O-CG 3.32Å; I288-L292 PolarHBondContact O-N 2.99Å; I288-L394 HydrophobicContact CB-CD1 4.03Å; I288-L394 HydrophobicContact CG2-CD1 3.65Å
289	E	98.3	Very high	97.5	Very high	19 Å²	19	48.7 Å²	48.7	9%	0.089	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-37.9	-179.3	-64.1	177.2	127.3	0	0	113	Y65 R66 S69 L285 T286 L292 L394	Y65-E289 HydrophobicContact CE1-CB 4.32Å; Y65-E289 HydrophobicContact CE1-CG 3.96Å; Y65-E289 PolarHBondContact OH-OE1 3.32Å; R66-E289 WeakPolarHBondContact CD-O 3.47Å; R66-E289 WeakPolarHBondContact CG-O 3.4Å; R66-E289 PolarHBondContact NH1-O 2.99Å; S69-E289 VanDerWaalsContact CB-OE1 3.27Å; S69-E289 WeakPolarHBondContact CB-OE1 3.48Å; S69-E289 PolarHBondContact OG-OE1 2.91Å; L285-E289 HydrophobicContact CB-CG 4.17Å; L285-E289 WeakPolarHBondContact O-CG 3.4Å; L285-E289 PolarHBondContact O-N 2.93Å; T286-E289 PolarHBondContact O-N 3.23Å; T286-E289 VanDerWaalsContact O-N 3.16Å; E289-L292 PolarHBondContact O-N 3.43Å; E289-L394 HydrophobicContact CG-CD1 3.73Å; E289-L394 HydrophobicContact CG-CD2 4.43Å
290	E	97.9	Very high	97.6	Very high	124 Å²	124	46.6 Å²	46.6	58%	0.579	24%	0.242	S	C	*	.	H	α-helix	trans	-68	-34.7	177.7	-75.5	178	173.1	0	0	112.4	T286 I288 L292	T286-E290 HydrophobicContact CG2-CG 4.15Å; T286-E290 WeakPolarHBondContact CG2-OE1 3.37Å; T286-E290 WeakPolarHBondContact O-CB 3.37Å; T286-E290 VanDerWaalsContact O-CG 3.31Å; T286-E290 WeakPolarHBondContact O-CG 3.36Å; T286-E290 PolarHBondContact O-N 2.82Å; I288-E290 VanDerWaalsContact C-N 3.32Å; I288-E290 PolarHBondContact O-N 3.49Å; E290-L292 VanDerWaalsContact C-N 3.34Å; E290-L292 PolarHBondContact O-N 3.48Å
291	S	98.1	Very high	97.5	Very high	42 Å²	42	41.3 Å²	41.3	29%	0.294	22%	0.221	S	C	.	.	H	α-helix	trans	-77.2	-14.3	177.8	-64.5	0	0	0	0	114.6	L287 I288 T293 F296	L287-S291 PolarHBondContact O-N 2.98Å; L287-S291 PolarHBondContact O-OG 3.34Å; I288-S291 PolarHBondContact O-N 2.99Å; S291-T293 PolarHBondContact O-N 3.33Å; S291-F296 VanDerWaalsContact O-CB 3.29Å; S291-F296 WeakPolarHBondContact O-CB 3.39Å; S291-F296 WeakPolarHBondContact O-CD1 3.4Å; S291-F296 VanDerWaalsContact O-CG 3.26Å; S291-F296 WeakPolarHBondContact O-CG 3.34Å
292	L	98.6	Very high	97.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.233	C	C	.	.			trans	-67.6	104.2	-175.3	-67.8	177.4	0	0	0	112.4	Y62 Y65 R66 F276 I288 E289 E290 F296 V297 L394 I408	Y62-L292 VanDerWaalsContact CB-O 3.31Å; Y62-L292 WeakPolarHBondContact CB-O 3.08Å; Y62-L292 HydrophobicContact CD1-CB 3.75Å; Y62-L292 HydrophobicContact CD1-CD1 4.41Å; Y62-L292 HydrophobicContact CE1-CB 4.14Å; Y62-L292 HydrophobicContact CG-CB 4.19Å; Y65-L292 HydrophobicContact CE1-CD1 4.19Å; R66-L292 PolarHBondContact NH1-O 3Å; F276-L292 HydrophobicContact CE1-CD2 4.43Å; F276-L292 HydrophobicContact CE2-CD2 4.1Å; F276-L292 HydrophobicContact CZ-CD2 3.96Å; I288-L292 WeakPolarHBondContact O-CG 3.32Å; I288-L292 PolarHBondContact O-N 2.99Å; E289-L292 PolarHBondContact O-N 3.43Å; E290-L292 VanDerWaalsContact C-N 3.34Å; E290-L292 PolarHBondContact O-N 3.48Å; L292-F296 HydrophobicContact CD2-CD1 4.35Å; L292-F296 HydrophobicContact CD2-CE1 4.27Å; L292-V297 HydrophobicContact CD2-CG2 4.1Å; L292-L394 HydrophobicContact CD1-CD1 3.99Å; L292-I408 HydrophobicContact CD1-CD1 3.63Å
293	T	98.7	Very high	97.4	Very high	46 Å²	46	46 Å²	46	28%	0.282	24%	0.235	S	C	.	.			trans	-130.6	166.6	165.9	67.3	0	0	0	0	109.9	N59 Y62 S291 E295 F296 V297	N59-T293 WeakPolarHBondContact OD1-CA 3.26Å; N59-T293 WeakPolarHBondContact OD1-CB 3.29Å; Y62-T293 VanDerWaalsContact CE2-C 3.45Å; S291-T293 PolarHBondContact O-N 3.33Å; T293-E295 PolarHBondContact O-N 3.06Å; T293-F296 PolarHBondContact O-N 3.34Å; T293-F296 WeakPolarHBondContact OG1-CB 3.39Å; T293-F296 PolarHBondContact OG1-N 3.48Å; T293-V297 WeakPolarHBondContact O-CB 3.49Å; T293-V297 VanDerWaalsContact O-CG2 3.31Å; T293-V297 WeakPolarHBondContact O-CG2 3.31Å; T293-V297 PolarHBondContact O-N 2.89Å
294	S	98.4	Very high	97.4	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-39.1	175.2	-83	0	0	0	0	112.3	Y46 A55 S58 N59 H298	Y46-S294 PolarHBondContact OH-O 2.99Å; Y46-S294 VanDerWaalsContact OH-O 3.06Å; A55-S294 WeakPolarHBondContact CA-OG 3.33Å; A55-S294 PolarHBondContact O-OG 2.83Å; S58-S294 WeakPolarHBondContact CB-OG 3.44Å; N59-S294 PolarHBondContact OD1-N 2.87Å; S294-H298 WeakPolarHBondContact O-CB 3.44Å; S294-H298 PolarHBondContact O-N 2.82Å
295	E	97.8	Very high	97.4	Very high	76 Å²	76	45.3 Å²	45.3	36%	0.355	23%	0.227	S	C	.	.	H	α-helix	trans	-67.2	-51.8	178.8	-61.9	70.7	-154	0	0	109.9	Y46 N59 T293 V297 H298 D299	Y46-E295 HydrophobicContact CE2-CG 4.42Å; N59-E295 PolarHBondContact ND2-OE1 2.75Å; N59-E295 PolarHBondContact ND2-OE2 2.66Å; T293-E295 PolarHBondContact O-N 3.06Å; E295-V297 VanDerWaalsContact C-N 3.35Å; E295-V297 PolarHBondContact O-N 3.38Å; E295-H298 CarbonylContact O-C 3.58Å; E295-H298 WeakPolarHBondContact O-CA 3.21Å; E295-H298 WeakPolarHBondContact O-CB 3.47Å; E295-H298 PolarHBondContact O-N 3.24Å; E295-D299 PolarHBondContact O-N 2.85Å
296	F	98.1	Very high	97.2	Very high	22 Å²	22	47.1 Å²	47.1	10%	0.096	24%	0.238	C	C	.	.	H	α-helix	trans	-56.4	-47.1	176.5	171.3	-101.8	0	0	0	112.1	F9 L258 F276 S291 L292 T293 H298 D299 V300	F9-F296 HydrophobicContact CE1-CD2 4.31Å; F9-F296 HydrophobicContact CE1-CE2 4.19Å; F9-F296 HydrophobicContact CE2-CE2 4.2Å; F9-F296 HydrophobicContact CZ-CD2 4.49Å; F9-F296 AromaticContact CZ-CE2 3.95Å; F9-F296 HydrophobicContact CZ-CE2 3.95Å; L258-F296 HydrophobicContact CD1-CE1 4.43Å; L258-F296 HydrophobicContact CD1-CE2 4.21Å; L258-F296 HydrophobicContact CD1-CZ 3.6Å; F276-F296 AromaticContact CE1-CE1 3.84Å; F276-F296 HydrophobicContact CE1-CE1 3.84Å; F276-F296 HydrophobicContact CE1-CZ 4.36Å; F276-F296 HydrophobicContact CZ-CE1 4.3Å; S291-F296 VanDerWaalsContact O-CB 3.29Å; S291-F296 WeakPolarHBondContact O-CB 3.39Å; S291-F296 WeakPolarHBondContact O-CD1 3.4Å; S291-F296 VanDerWaalsContact O-CG 3.26Å; S291-F296 WeakPolarHBondContact O-CG 3.34Å; L292-F296 HydrophobicContact CD2-CD1 4.35Å; L292-F296 HydrophobicContact CD2-CE1 4.27Å; T293-F296 PolarHBondContact O-N 3.34Å; T293-F296 WeakPolarHBondContact OG1-CB 3.39Å; T293-F296 PolarHBondContact OG1-N 3.48Å; F296-H298 PolarHBondContact O-N 2.86Å; F296-D299 PolarHBondContact O-N 2.92Å; F296-V300 HydrophobicContact CD1-CG2 4.38Å; F296-V300 HydrophobicContact CD2-CG2 4.44Å; F296-V300 HydrophobicContact CE1-CG2 3.94Å; F296-V300 HydrophobicContact CE2-CG2 4Å; F296-V300 HydrophobicContact CZ-CG2 3.72Å; F296-V300 WeakPolarHBondContact O-CB 3.48Å; F296-V300 VanDerWaalsContact O-CG2 3.32Å; F296-V300 WeakPolarHBondContact O-CG2 3.49Å; F296-V300 PolarHBondContact O-N 2.72Å
297	V	98.2	Very high	97.1	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-67.2	-27	178.6	177.6	0	0	0	0	111.4	L292 T293 E295 D301 V396 R398	L292-V297 HydrophobicContact CD2-CG2 4.1Å; T293-V297 WeakPolarHBondContact O-CB 3.49Å; T293-V297 VanDerWaalsContact O-CG2 3.31Å; T293-V297 WeakPolarHBondContact O-CG2 3.31Å; T293-V297 PolarHBondContact O-N 2.89Å; E295-V297 VanDerWaalsContact C-N 3.35Å; E295-V297 PolarHBondContact O-N 3.38Å; V297-D301 WeakPolarHBondContact O-CB 3.37Å; V297-D301 PolarHBondContact O-N 2.86Å; V297-V396 HydrophobicContact CG1-CG1 4.49Å; V297-R398 VanDerWaalsContact C-NH1 3.29Å; V297-R398 PolarHBondContact O-NH1 3.01Å
298	H	97.8	Very high	96.9	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.046	21%	0.211	C	C	.	.	H	α-helix	trans	-73.9	-40.2	174.2	-177.1	50.3	0	0	0	112.3	D43 F45 Y46 S294 E295 F296 D301 K302 R398	D43-H298 IonicContact OD1-NE2 3.99Å; D43-H298 PolarHBondContact OD1-NE2 3.38Å; D43-H298 IonicContact OD2-NE2 3.62Å; F45-H298 WeakPolarHBondContact CB-NE2 3.14Å; F45-H298 AromaticContact CD1-CE1 3.88Å; F45-H298 AromaticContact CG-CE1 3.59Å; F45-H298 AromaticContact CG-NE2 3.81Å; Y46-H298 HydrophobicContact CE2-CB 4.47Å; Y46-H298 AromaticContact CE2-CD2 3.67Å; Y46-H298 VanDerWaalsContact OH-CB 3.29Å; Y46-H298 WeakPolarHBondContact OH-CB 3.27Å; S294-H298 WeakPolarHBondContact O-CB 3.44Å; S294-H298 PolarHBondContact O-N 2.82Å; E295-H298 CarbonylContact O-C 3.58Å; E295-H298 WeakPolarHBondContact O-CA 3.21Å; E295-H298 WeakPolarHBondContact O-CB 3.47Å; E295-H298 PolarHBondContact O-N 3.24Å; F296-H298 PolarHBondContact O-N 2.86Å; H298-D301 CarbonylContact O-C 3.5Å; H298-D301 WeakPolarHBondContact O-CA 3.37Å; H298-D301 WeakPolarHBondContact O-CB 3.46Å; H298-D301 PolarHBondContact O-N 2.8Å; H298-K302 PolarHBondContact O-N 2.9Å; H298-R398 PolarHBondContact ND1-NH2 3.16Å
299	D	97.2	Very high	96.7	Very high	62 Å²	62	42.8 Å²	42.8	33%	0.332	21%	0.212	S	C	.	.	H	α-helix	trans	-65.4	-45.4	175.6	-66.3	-28.8	0	0	0	110.9	F9 E295 F296 D301 K302 E303	F9-D299 HydrophobicContact CE1-CB 4.39Å; E295-D299 PolarHBondContact O-N 2.85Å; F296-D299 PolarHBondContact O-N 2.92Å; D299-D301 VanDerWaalsContact C-N 3.29Å; D299-D301 PolarHBondContact O-N 3.45Å; D299-K302 PolarHBondContact O-N 3.14Å; D299-E303 WeakPolarHBondContact O-CB 3.42Å; D299-E303 WeakPolarHBondContact O-CG 3.16Å; D299-E303 PolarHBondContact O-N 2.9Å
300	V	97	Very high	96.7	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.03	22%	0.221	C	C	.	.	H	α-helix	trans	-51.6	-51.4	168.7	168.5	0	0	0	0	109.9	F9 I262 F296 K302 E303 L304	F9-V300 HydrophobicContact CZ-CG2 4.26Å; I262-V300 HydrophobicContact CD1-CG1 4.13Å; I262-V300 HydrophobicContact CD1-CG2 4.14Å; I262-V300 HydrophobicContact CG2-CG1 3.82Å; F296-V300 HydrophobicContact CD1-CG2 4.38Å; F296-V300 HydrophobicContact CD2-CG2 4.44Å; F296-V300 HydrophobicContact CE1-CG2 3.94Å; F296-V300 HydrophobicContact CE2-CG2 4Å; F296-V300 HydrophobicContact CZ-CG2 3.72Å; F296-V300 WeakPolarHBondContact O-CB 3.48Å; F296-V300 VanDerWaalsContact O-CG2 3.32Å; F296-V300 WeakPolarHBondContact O-CG2 3.49Å; F296-V300 PolarHBondContact O-N 2.72Å; V300-K302 PolarHBondContact O-N 3.38Å; V300-E303 PolarHBondContact O-N 2.88Å; V300-E303 VanDerWaalsContact O-N 3.14Å; V300-L304 HydrophobicContact CG1-CD1 4.04Å; V300-L304 HydrophobicContact CG1-CD2 4.42Å; V300-L304 HydrophobicContact CG1-CG 4.08Å; V300-L304 VanDerWaalsContact O-CG 3.23Å; V300-L304 WeakPolarHBondContact O-CG 3.37Å; V300-L304 PolarHBondContact O-N 3.19Å
301	D	95.7	Very high	96.7	Very high	38 Å²	38	38.3 Å²	38.3	20%	0.203	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-30.6	178.2	-178.9	64.7	0	0	0	113.4	R251 Q264 V297 H298 D299	R251-D301 PolarHBondContact NH1-O 2.95Å; R251-D301 IonicContact NH1-OD1 2.66Å; R251-D301 PolarHBondContact NH1-OD1 2.86Å; R251-D301 PolarHBondContact NH2-O 3.46Å; Q264-D301 PolarHBondContact NE2-OD1 3.27Å; Q264-D301 PolarHBondContact OE1-OD1 3.38Å; V297-D301 WeakPolarHBondContact O-CB 3.37Å; V297-D301 PolarHBondContact O-N 2.86Å; H298-D301 CarbonylContact O-C 3.5Å; H298-D301 WeakPolarHBondContact O-CA 3.37Å; H298-D301 WeakPolarHBondContact O-CB 3.46Å; H298-D301 PolarHBondContact O-N 2.8Å; D299-D301 VanDerWaalsContact C-N 3.29Å; D299-D301 PolarHBondContact O-N 3.45Å
302	K	95.9	Very high	96.7	Very high	109 Å²	109	36.5 Å²	36.5	47%	0.474	18%	0.181	S	C	.	.	H	α-helix	trans	-79.4	-34.2	176.1	-73.5	168.4	60.3	-172.1	0	112.7	D43 H298 D299 V300	D43-K302 IonicContact OD2-NZ 3.3Å; D43-K302 PolarHBondContact OD2-NZ 2.97Å; H298-K302 PolarHBondContact O-N 2.9Å; D299-K302 PolarHBondContact O-N 3.14Å; V300-K302 PolarHBondContact O-N 3.38Å
303	E	96.1	Very high	96.7	Very high	70 Å²	70	36.5 Å²	36.5	33%	0.327	18%	0.181	S	C	.	.	H	α-helix	trans	-84.6	-30.1	-171.2	-70.3	-176.4	161.3	0	0	113.8	L7 D299 V300 K305	L7-E303 HydrophobicContact CD2-CB 4.22Å; L7-E303 WeakPolarHBondContact CD2-OE2 3.44Å; D299-E303 WeakPolarHBondContact O-CB 3.42Å; D299-E303 WeakPolarHBondContact O-CG 3.16Å; D299-E303 PolarHBondContact O-N 2.9Å; V300-E303 PolarHBondContact O-N 2.88Å; V300-E303 VanDerWaalsContact O-N 3.14Å; E303-K305 WeakPolarHBondContact O-CD 3.49Å; E303-K305 VanDerWaalsContact O-CE 3.29Å; E303-K305 WeakPolarHBondContact O-CE 3.32Å; E303-K305 PolarHBondContact O-N 3.35Å
304	L	96.5	Very high	96.6	Very high	9 Å²	9	34.4 Å²	34.4	5%	0.047	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-54.6	133.3	-179.9	-69.9	173.7	0	0	0	112.1	R251 I262 Q264 V300	R251-L304 HydrophobicContact CB-CB 3.87Å; R251-L304 HydrophobicContact CB-CD1 4.31Å; R251-L304 PolarHBondContact NH2-O 3.44Å; I262-L304 HydrophobicContact CB-CD2 4.11Å; I262-L304 HydrophobicContact CG2-CD1 4.4Å; I262-L304 HydrophobicContact CG2-CD2 4.02Å; Q264-L304 HydrophobicContact CB-CD1 3.59Å; V300-L304 HydrophobicContact CG1-CD1 4.04Å; V300-L304 HydrophobicContact CG1-CD2 4.42Å; V300-L304 HydrophobicContact CG1-CG 4.08Å; V300-L304 VanDerWaalsContact O-CG 3.23Å; V300-L304 WeakPolarHBondContact O-CG 3.37Å; V300-L304 PolarHBondContact O-N 3.19Å
305	K	95.2	Very high	96.6	Very high	140 Å²	140	38 Å²	38	61%	0.609	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103	140.4	-179	-55.5	-55.2	179.1	-161.5	0	111.5	R251 Y252 E303 V307	R251-K305 CarbonylContact C-O 3.53Å; R251-K305 WeakPolarHBondContact CA-O 3.25Å; Y252-K305 PolarHBondContact N-O 2.95Å; Y252-K305 PolarHBondContact O-N 3.15Å; E303-K305 WeakPolarHBondContact O-CD 3.49Å; E303-K305 VanDerWaalsContact O-CE 3.29Å; E303-K305 WeakPolarHBondContact O-CE 3.32Å; E303-K305 PolarHBondContact O-N 3.35Å; K305-V307 PolarHBondContact O-N 3.29Å
306	T	94.8	Very high	96.5	Very high	43 Å²	43	34.6 Å²	34.6	26%	0.264	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	122	176.5	-54.5	0	0	0	0	110.9	I249 L250 V376 A378 A379	I249-T306 HydrophobicContact CG2-CG2 3.64Å; L250-T306 WeakPolarHBondContact O-CA 3.41Å; T306-V376 HydrophobicContact CG2-CG1 3.6Å; T306-A378 HydrophobicContact CG2-CB 3.99Å; T306-A379 PolarHBondContact O-N 2.88Å
307	V	93.8	Very high	96.4	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.048	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162	-174.6	-61.5	0	0	0	0	111.8	I249 L250 Y252 K305 L381 I385	I249-V307 WeakPolarHBondContact CA-O 3.49Å; L250-V307 HydrophobicContact CD1-CG2 3.92Å; L250-V307 PolarHBondContact N-O 3.48Å; L250-V307 VanDerWaalsContact N-O 3.17Å; L250-V307 PolarHBondContact O-N 3.07Å; Y252-V307 VanDerWaalsContact CB-CG2 3.46Å; Y252-V307 HydrophobicContact CG-CG2 4.29Å; K305-V307 PolarHBondContact O-N 3.29Å; V307-L381 HydrophobicContact CG1-CD1 4.26Å; V307-I385 HydrophobicContact CB-CD1 3.86Å; V307-I385 HydrophobicContact CG1-CD1 3.93Å; V307-I385 HydrophobicContact CG2-CD1 3.68Å
308	H	93	Very high	96.3	Very high	69 Å²	69	40.4 Å²	40.4	32%	0.319	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134	162	-74.6	-79	0	0	0	110.7	A248	A248-H308 CarbonylContact O-C 3.59Å; A248-H308 WeakPolarHBondContact O-CA 3.43Å
309	A	94.8	Very high	96.2	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.033	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.4	178.9	0	0	0	0	0	112.2	A248 L250 L311 I385	A248-A309 PolarHBondContact N-O 3.47Å; A248-A309 PolarHBondContact O-N 3.29Å; L250-A309 HydrophobicContact CD1-CB 4.29Å; L250-A309 HydrophobicContact CD2-CB 3.84Å; L250-A309 HydrophobicContact CG-CB 4.03Å; A309-L311 PolarHBondContact O-N 3.44Å; A309-I385 CarbonylContact C-O 3.49Å; A309-I385 VanDerWaalsContact CA-O 3.22Å; A309-I385 WeakPolarHBondContact CA-O 3.07Å; A309-I385 HydrophobicContact CB-CB 4.1Å; A309-I385 HydrophobicContact CB-CG2 4Å; A309-I385 WeakPolarHBondContact CB-O 3.21Å
310	V	96.8	Very high	96.1	Very high	46 Å²	46	41.9 Å²	41.9	28%	0.279	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	106	161.2	-175.9	0	0	0	0	106.5	P384 I385 Y387	V310-P384 HydrophobicContact CG2-CB 4.15Å; V310-I385 PolarHBondContact N-O 3.49Å; V310-Y387 PolarHBondContact O-N 2.68Å
311	L	98.1	Very high	96.1	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.7	-175	176.8	63.9	0	0	0	110.5	F220 S244 D245 A248 L250 L265 A309 Y387	F220-L311 HydrophobicContact CE1-CD2 3.87Å; F220-L311 HydrophobicContact CE1-CG 4.33Å; F220-L311 HydrophobicContact CZ-CD2 3.73Å; S244-L311 WeakPolarHBondContact CA-O 3.29Å; D245-L311 PolarHBondContact N-O 3.47Å; D245-L311 PolarHBondContact O-N 3.32Å; A248-L311 HydrophobicContact CB-CB 3.68Å; A248-L311 HydrophobicContact CB-CD2 4.04Å; L250-L311 HydrophobicContact CD2-CB 4.36Å; L250-L311 HydrophobicContact CD2-CD1 4.1Å; L250-L311 HydrophobicContact CD2-CD2 4.16Å; L250-L311 HydrophobicContact CD2-CG 4.45Å; L265-L311 HydrophobicContact CD1-CD2 4.23Å; L265-L311 HydrophobicContact CD2-CD2 3.61Å; L265-L311 HydrophobicContact CG-CD2 4.48Å; A309-L311 PolarHBondContact O-N 3.44Å; L311-Y387 WeakPolarHBondContact CA-O 3.42Å; L311-Y387 HydrophobicContact CD1-CD1 3.79Å; L311-Y387 WeakPolarHBondContact CD1-O 3.46Å
312	S	98.3	Very high	96.1	Very high	4 Å²	4	46 Å²	46	3%	0.028	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.6	160.6	67.4	0	0	0	0	111.4	M243 Y387 H388 V389	M243-S312 CarbonylContact O-C 3.59Å; M243-S312 VanDerWaalsContact O-CA 3.23Å; M243-S312 WeakPolarHBondContact O-CA 3.38Å; S312-Y387 PolarHBondContact N-O 3.2Å; S312-H388 WeakPolarHBondContact OG-CA 3.46Å; S312-H388 PolarHBondContact OG-ND1 2.97Å; S312-V389 PolarHBondContact O-N 2.81Å
313	L	98.3	Very high	96.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.7	-173.6	-175.9	72.6	0	0	0	109.9	W216 M243 F275 V389	W216-L313 HydrophobicContact CH2-CD2 3.86Å; W216-L313 HydrophobicContact CZ2-CD2 3.68Å; M243-L313 WeakPolarHBondContact CB-O 3.5Å; M243-L313 HydrophobicContact CE-CB 4.15Å; M243-L313 HydrophobicContact CE-CD2 3.79Å; M243-L313 HydrophobicContact CE-CG 4.07Å; M243-L313 PolarHBondContact N-O 3.02Å; M243-L313 PolarHBondContact O-N 3.48Å; F275-L313 HydrophobicContact CD1-CD1 3.91Å; F275-L313 HydrophobicContact CE1-CD1 3.4Å; F275-L313 HydrophobicContact CE1-CD2 4.27Å; F275-L313 HydrophobicContact CE1-CG 4.45Å; F275-L313 HydrophobicContact CE2-CD1 4.37Å; F275-L313 HydrophobicContact CE2-CD2 4.4Å; F275-L313 HydrophobicContact CZ-CD1 3.67Å; F275-L313 HydrophobicContact CZ-CD2 3.75Å; F275-L313 HydrophobicContact CZ-CG 4.38Å; L313-V389 HydrophobicContact CD1-CB 3.93Å; L313-V389 HydrophobicContact CD1-CG1 4.11Å; L313-V389 HydrophobicContact CD1-CG2 3.73Å
314	P	98	Very high	96.2	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	148.9	178.6	27.5	-32.9	0	0	0	109.2	V240 S241 M242 I316 V389 F393 P414	V240-P314 HydrophobicContact CG2-CB 4.32Å; S241-P314 WeakPolarHBondContact O-CA 3.38Å; M242-P314 HydrophobicContact SD-CB 4.18Å; P314-I316 WeakPolarHBondContact O-CG1 3.36Å; P314-I316 PolarHBondContact O-N 2.88Å; P314-V389 WeakPolarHBondContact CD-O 3.46Å; P314-V389 HydrophobicContact CG-CG1 4.5Å; P314-F393 HydrophobicContact CG-CE1 4.16Å; P314-F393 HydrophobicContact CG-CZ 4.27Å; P314-P414 HydrophobicContact CB-CB 4.01Å; P314-P414 HydrophobicContact CB-CG 4.16Å; P314-P414 HydrophobicContact CG-CB 4.25Å
315	K	97.4	Very high	96.2	Very high	77 Å²	77	40.2 Å²	40.2	34%	0.335	20%	0.2	S	C	.	.			trans	-62.9	131.4	164	-63.2	-176.2	73.8	148.5	0	108.2	T225 S241 M243 E365	T225-K315 HydrophobicContact CG2-CD 4.36Å; S241-K315 PolarHBondContact O-N 2.9Å; S241-K315 WeakPolarHBondContact OG-CD 3.01Å; M243-K315 HydrophobicContact CG-CG 3.73Å; M243-K315 HydrophobicContact SD-CG 4.01Å; K315-E365 WeakPolarHBondContact CD-OE1 3.3Å; K315-E365 WeakPolarHBondContact CE-OE1 3.25Å; K315-E365 VanDerWaalsContact CE-OE2 3.24Å; K315-E365 WeakPolarHBondContact CE-OE2 3.36Å; K315-E365 IonicContact NZ-OE1 3.36Å; K315-E365 PolarHBondContact NZ-OE1 3.16Å; K315-E365 IonicContact NZ-OE2 3.22Å; K315-E365 PolarHBondContact NZ-OE2 3.03Å
316	I	95.6	Very high	96.2	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.6	-178.2	-59	177.1	0	0	0	108	F275 P314 L318 L361 E362 L363 F393 L395	F275-I316 HydrophobicContact CE1-CD1 4.48Å; P314-I316 WeakPolarHBondContact O-CG1 3.36Å; P314-I316 PolarHBondContact O-N 2.88Å; I316-L318 HydrophobicContact CG2-CD1 3.81Å; I316-L318 HydrophobicContact CG2-CG 3.75Å; I316-L361 HydrophobicContact CG2-CD2 4.38Å; I316-E362 CarbonylContact O-C 3.56Å; I316-E362 WeakPolarHBondContact O-CA 3.41Å; I316-L363 HydrophobicContact CB-CB 4.23Å; I316-L363 HydrophobicContact CD1-CD1 4.28Å; I316-L363 PolarHBondContact N-O 2.8Å; I316-L363 PolarHBondContact O-N 3.06Å; I316-F393 HydrophobicContact CD1-CE2 4.09Å; I316-F393 HydrophobicContact CD1-CZ 3.77Å; I316-L395 HydrophobicContact CD1-CD2 4.17Å
317	R	95.9	Very high	96.3	Very high	140 Å²	140	35.8 Å²	35.8	53%	0.528	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	103.8	166.5	179.8	164.4	-163.9	-131.9	2.9	108.3	L361 E362	R317-L361 VanDerWaalsContact CA-O 3.31Å; R317-L361 WeakPolarHBondContact CA-O 3.48Å; R317-E362 HydrophobicContact CG-CG 4.04Å; R317-E362 IonicContact CZ-OE1 3.6Å; R317-E362 IonicContact NE-OE1 2.67Å; R317-E362 PolarHBondContact NE-OE1 3.43Å; R317-E362 IonicContact NH2-OE1 3.82Å; R317-E362 PolarHBondContact NH2-OE1 3.26Å
318	L	95.7	Very high	96.3	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.4	-175.5	-63.4	174.9	0	0	0	109.2	N76 L78 I316 I360 L361 I411 S416	N76-L318 WeakPolarHBondContact ND2-CD2 3.3Å; L78-L318 HydrophobicContact CD1-CD1 4.25Å; L78-L318 HydrophobicContact CD2-CB 3.81Å; I316-L318 HydrophobicContact CG2-CD1 3.81Å; I316-L318 HydrophobicContact CG2-CG 3.75Å; L318-I360 VanDerWaalsContact O-CA 3.29Å; L318-I360 WeakPolarHBondContact O-CA 3.4Å; L318-L361 PolarHBondContact N-O 3.18Å; L318-L361 PolarHBondContact O-N 2.92Å; L318-I411 HydrophobicContact CD1-CD1 4.49Å; L318-I411 HydrophobicContact CD1-CG1 3.93Å; L318-S416 WeakPolarHBondContact CD2-O 3.46Å
319	N	95.9	Very high	96.4	Very high	78 Å²	78	36.2 Å²	36.2	42%	0.417	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	103.3	172.1	177.1	15.4	0	0	0	109.8	K358 I360 I417	N319-K358 WeakPolarHBondContact OD1-CE 3.3Å; N319-I360 HydrophobicContact CB-CG1 4.34Å; N319-I417 VanDerWaalsContact CB-OXT 3.23Å; N319-I417 WeakPolarHBondContact CB-OXT 3.48Å; N319-I417 PolarHBondContact N-OXT 3.22Å
320	Y	96.1	Very high	96.3	Very high	25 Å²	25	41 Å²	41	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.5	-174.7	-172.1	-94	0	0	0	110.5	Q68 L78 L79 E322 K358 A359	Q68-Y320 WeakPolarHBondContact CG-OH 3.4Å; Q68-Y320 PolarHBondContact NE2-OH 3.44Å; L78-Y320 HydrophobicContact CB-CD2 4.5Å; L78-Y320 HydrophobicContact CB-CG 4.17Å; L78-Y320 WeakPolarHBondContact O-CD1 3.23Å; L78-Y320 WeakPolarHBondContact O-CE1 3.43Å; L78-Y320 VanDerWaalsContact O-CG 3.24Å; L79-Y320 HydrophobicContact CD2-CD1 4.3Å; L79-Y320 HydrophobicContact CD2-CE1 3.74Å; Y320-E322 HydrophobicContact CD1-CB 4.17Å; Y320-E322 HydrophobicContact CE1-CB 3.39Å; Y320-E322 HydrophobicContact CE1-CG 4.19Å; Y320-K358 CarbonylContact O-C 3.45Å; Y320-K358 VanDerWaalsContact O-CA 3.26Å; Y320-K358 WeakPolarHBondContact O-CA 3.38Å; Y320-K358 WeakPolarHBondContact O-CG 3.28Å; Y320-A359 PolarHBondContact N-O 3.17Å; Y320-A359 PolarHBondContact O-N 3.18Å
321	E	95.8	Very high	96	Very high	55 Å²	55	40.3 Å²	40.3	26%	0.257	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	117.1	178.3	177.9	-178.7	149.2	0	0	108	K358	E321-K358 HydrophobicContact CB-CD 4.29Å; E321-K358 HydrophobicContact CB-CG 4.4Å; E321-K358 HydrophobicContact CG-CD 4.39Å; E321-K358 IonicContact OE2-NZ 2.64Å; E321-K358 PolarHBondContact OE2-NZ 3.01Å
322	E	95.7	Very high	95.6	Very high	73 Å²	73	50 Å²	50	34%	0.341	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	143.6	-173.1	-168.5	59.8	-125.4	0	0	112.2	Y320 L324 Q356 H357	Y320-E322 HydrophobicContact CD1-CB 4.17Å; Y320-E322 HydrophobicContact CE1-CB 3.39Å; Y320-E322 HydrophobicContact CE1-CG 4.19Å; E322-L324 HydrophobicContact CB-CD2 4.07Å; E322-L324 HydrophobicContact CB-CG 4.46Å; E322-L324 HydrophobicContact CG-CD2 3.64Å; E322-L324 HydrophobicContact CG-CG 4.37Å; E322-L324 PolarHBondContact O-N 3.28Å; E322-Q356 PolarHBondContact O-NE2 3.31Å; E322-H357 PolarHBondContact N-O 3.08Å; E322-H357 PolarHBondContact O-N 2.64Å
323	A	96.8	Very high	95.5	Very high	57 Å²	57	49.8 Å²	49.8	47%	0.471	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	93.5	171.8	0	0	0	0	0	109.6	G325 V355	A323-G325 PolarHBondContact O-N 2.95Å; A323-G325 VanDerWaalsContact O-N 3.08Å; A323-V355 CarbonylContact C-O 3.46Å; A323-V355 WeakPolarHBondContact CA-O 3.45Å
324	L	97.2	Very high	95.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	10	-173.4	-60.2	177.3	0	0	0	114.2	L64 Q68 L79 L84 E322 N326 T327 L328 V355 H357	L64-L324 HydrophobicContact CD2-CD1 4.24Å; Q68-L324 HydrophobicContact CG-CD2 4.19Å; L79-L324 HydrophobicContact CD2-CD1 4Å; L79-L324 HydrophobicContact CD2-CD2 4.44Å; L84-L324 HydrophobicContact CD1-CD1 3.45Å; L84-L324 VanDerWaalsContact CD1-CD1 3.45Å; E322-L324 HydrophobicContact CB-CD2 4.07Å; E322-L324 HydrophobicContact CB-CG 4.46Å; E322-L324 HydrophobicContact CG-CD2 3.64Å; E322-L324 HydrophobicContact CG-CG 4.37Å; E322-L324 PolarHBondContact O-N 3.28Å; L324-N326 VanDerWaalsContact C-N 3.32Å; L324-N326 PolarHBondContact O-N 3.3Å; L324-T327 WeakPolarHBondContact O-CB 3.47Å; L324-T327 PolarHBondContact O-N 2.88Å; L324-L328 HydrophobicContact CB-CD1 3.84Å; L324-L328 WeakPolarHBondContact O-CD1 3.2Å; L324-L328 PolarHBondContact O-N 2.78Å; L324-V355 HydrophobicContact CB-CG1 4.21Å; L324-V355 PolarHBondContact N-O 2.74Å; L324-H357 HydrophobicContact CD1-CB 3.52Å; L324-H357 HydrophobicContact CG-CB 4.04Å
325	G	96.4	Very high	95.4	Very high	10 Å²	10	57.6 Å²	57.6	10%	0.103	28%	0.277	C	S	.	.	H	α-helix	trans	-58.2	-41.2	-178.2	0	0	0	0	0	113.2	A323 K329	A323-G325 PolarHBondContact O-N 2.95Å; A323-G325 VanDerWaalsContact O-N 3.08Å; G325-K329 WeakPolarHBondContact O-CG 3.13Å; G325-K329 PolarHBondContact O-N 2.98Å
326	N	95.6	Very high	95.4	Very high	88 Å²	88	54 Å²	54	47%	0.471	26%	0.261	S	S	.	.	H	α-helix	trans	-72.9	-38.4	177.4	-69.5	-24.4	0	0	0	112	L324 L328 K329 E330	L324-N326 VanDerWaalsContact C-N 3.32Å; L324-N326 PolarHBondContact O-N 3.3Å; N326-L328 VanDerWaalsContact C-N 3.33Å; N326-L328 PolarHBondContact O-N 3.05Å; N326-K329 WeakPolarHBondContact O-CB 3.42Å; N326-K329 PolarHBondContact O-N 3.11Å; N326-K329 VanDerWaalsContact O-N 3.16Å; N326-K329 PolarHBondContact OD1-NZ 2.93Å; N326-E330 PolarHBondContact O-N 3.27Å
327	T	96.4	Very high	95.5	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-44.8	174.1	-45.7	0	0	0	0	111	L64 Q67 Q68 L324 K329 E330	L64-T327 HydrophobicContact CD1-CG2 3.93Å; Q67-T327 HydrophobicContact CB-CG2 3.69Å; Q68-T327 HydrophobicContact CB-CG2 4.11Å; Q68-T327 PolarHBondContact OE1-OG1 2.92Å; L324-T327 WeakPolarHBondContact O-CB 3.47Å; L324-T327 PolarHBondContact O-N 2.88Å; T327-K329 VanDerWaalsContact C-N 3.33Å; T327-K329 PolarHBondContact O-N 3.33Å; T327-E330 PolarHBondContact O-N 3.32Å
328	L	95.8	Very high	95.5	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-68.1	-29.9	177.6	-89.3	75	0	0	0	112.9	L64 L324 N326 E330 T331 L333 F337 V355	L64-L328 HydrophobicContact CD1-CD1 3.48Å; L64-L328 VanDerWaalsContact CD1-CD1 3.48Å; L64-L328 HydrophobicContact CD1-CG 4.42Å; L324-L328 HydrophobicContact CB-CD1 3.84Å; L324-L328 WeakPolarHBondContact O-CD1 3.2Å; L324-L328 PolarHBondContact O-N 2.78Å; N326-L328 VanDerWaalsContact C-N 3.33Å; N326-L328 PolarHBondContact O-N 3.05Å; L328-E330 PolarHBondContact O-N 2.93Å; L328-T331 WeakPolarHBondContact O-CB 3.22Å; L328-T331 PolarHBondContact O-N 2.95Å; L328-T331 VanDerWaalsContact O-N 3.12Å; L328-T331 PolarHBondContact O-OG1 2.97Å; L328-L333 HydrophobicContact CD2-CD1 3.99Å; L328-L333 HydrophobicContact CG-CD1 4.33Å; L328-F337 HydrophobicContact CB-CE2 4.05Å; L328-F337 HydrophobicContact CB-CZ 3.96Å; L328-V355 HydrophobicContact CD1-CG1 4.33Å; L328-V355 HydrophobicContact CD2-CG1 4.35Å; L328-V355 HydrophobicContact CD2-CG2 3.88Å
329	K	94.3	Very high	95.4	Very high	82 Å²	82	56.6 Å²	56.6	36%	0.357	30%	0.296	S	S	.	.	H	α-helix	trans	-67.3	-26.4	176.6	-75.3	170.7	-167.9	166.3	0	112.8	G325 N326 T327 Q334 F337	G325-K329 WeakPolarHBondContact O-CG 3.13Å; G325-K329 PolarHBondContact O-N 2.98Å; N326-K329 WeakPolarHBondContact O-CB 3.42Å; N326-K329 PolarHBondContact O-N 3.11Å; N326-K329 VanDerWaalsContact O-N 3.16Å; N326-K329 PolarHBondContact OD1-NZ 2.93Å; T327-K329 VanDerWaalsContact C-N 3.33Å; T327-K329 PolarHBondContact O-N 3.33Å; K329-Q334 WeakPolarHBondContact O-CB 3.26Å; K329-F337 HydrophobicContact CD-CD1 4.44Å; K329-F337 HydrophobicContact CD-CG 4.37Å; K329-F337 HydrophobicContact CG-CB 4.29Å; K329-F337 HydrophobicContact CG-CD1 4.08Å; K329-F337 HydrophobicContact CG-CD2 3.59Å; K329-F337 HydrophobicContact CG-CE1 4.29Å; K329-F337 HydrophobicContact CG-CE2 3.82Å; K329-F337 HydrophobicContact CG-CG 3.73Å; K329-F337 HydrophobicContact CG-CZ 4.16Å
330	E	92.1	Very high	95.5	Very high	105 Å²	105	53.7 Å²	53.7	49%	0.491	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.4	175.3	-70.3	172.1	-177.1	0	0	112.3	R71 N326 T327 L328	R71-E330 IonicContact CZ-OE1 2.76Å; R71-E330 IonicContact CZ-OE2 2.72Å; R71-E330 IonicContact NH1-OE1 3.3Å; R71-E330 PolarHBondContact NH1-OE1 3.03Å; R71-E330 IonicContact NH1-OE2 2.78Å; R71-E330 PolarHBondContact NH1-OE2 2.88Å; N326-E330 PolarHBondContact O-N 3.27Å; T327-E330 PolarHBondContact O-N 3.32Å; L328-E330 PolarHBondContact O-N 2.93Å
331	T	90.4	Very high	95.6	Very high	31 Å²	31	55.5 Å²	55.5	19%	0.19	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-178.3	168	78.3	0	0	0	0	110.8	Q67 L328 L333 Q334	Q67-T331 HydrophobicContact CG-CG2 4.25Å; L328-T331 WeakPolarHBondContact O-CB 3.22Å; L328-T331 PolarHBondContact O-N 2.95Å; L328-T331 VanDerWaalsContact O-N 3.12Å; L328-T331 PolarHBondContact O-OG1 2.97Å; T331-L333 PolarHBondContact O-N 3.21Å; T331-L333 WeakPolarHBondContact OG1-CB 3.38Å; T331-L333 PolarHBondContact OG1-N 2.95Å; T331-Q334 PolarHBondContact O-N 3.42Å
332	R	89.6	Confident	95.7	Very high	205 Å²	205	53.1 Å²	53.1	77%	0.774	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	1.3	174.3	-61	179.7	-179.2	173.1	0.6	114.4	V102	V102-R332 WeakPolarHBondContact CG1-O 3.43Å
333	L	96.4	Very high	95.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4.8	-178.4	-63	174.2	0	0	0	114.6	F60 L88 V102 I103 A106 L328 T331 S335 L336	F60-L333 HydrophobicContact CE2-CD1 4.06Å; L88-L333 HydrophobicContact CD2-CD1 3.54Å; L88-L333 HydrophobicContact CD2-CD2 4.3Å; V102-L333 HydrophobicContact CG1-CD2 4.11Å; I103-L333 HydrophobicContact CG1-CD2 4.48Å; A106-L333 HydrophobicContact CB-CD1 4.17Å; A106-L333 HydrophobicContact CB-CD2 3.49Å; A106-L333 VanDerWaalsContact CB-CD2 3.49Å; A106-L333 HydrophobicContact CB-CG 3.8Å; L328-L333 HydrophobicContact CD2-CD1 3.99Å; L328-L333 HydrophobicContact CG-CD1 4.33Å; T331-L333 PolarHBondContact O-N 3.21Å; T331-L333 WeakPolarHBondContact OG1-CB 3.38Å; T331-L333 PolarHBondContact OG1-N 2.95Å; L333-S335 PolarHBondContact O-N 3.42Å; L333-S335 VanDerWaalsContact O-N 3.11Å; L333-L336 HydrophobicContact CB-CD1 4.25Å; L333-L336 HydrophobicContact CB-CG 4.46Å; L333-L336 HydrophobicContact CD2-CD1 3.88Å; L333-L336 HydrophobicContact CD2-CG 4.42Å; L333-L336 WeakPolarHBondContact O-CB 3.26Å; L333-L336 WeakPolarHBondContact O-CG 3.37Å; L333-L336 PolarHBondContact O-N 3.08Å
334	Q	96.3	Very high	95.6	Very high	119 Å²	119	54.1 Å²	54.1	56%	0.556	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-52	-36.1	-179.3	-165.9	-171.8	2.7	0	0	113.9	K329 T331 L336 F337	K329-Q334 WeakPolarHBondContact O-CB 3.26Å; T331-Q334 PolarHBondContact O-N 3.42Å; Q334-L336 PolarHBondContact O-N 3.33Å; Q334-F337 PolarHBondContact O-N 3.01Å
335	S	97.3	Very high	95.6	Very high	47 Å²	47	54.1 Å²	54.1	33%	0.329	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61.6	-24.6	-179.8	61.1	0	0	0	0	113.2	L333 F337 T338 S339	L333-S335 PolarHBondContact O-N 3.42Å; L333-S335 VanDerWaalsContact O-N 3.11Å; S335-F337 PolarHBondContact O-N 3.01Å; S335-T338 PolarHBondContact O-N 3.06Å; S335-T338 PolarHBondContact O-OG1 3.5Å; S335-S339 PolarHBondContact O-N 2.96Å
336	L	98.2	Very high	95.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-65.1	-23.5	175.2	-57.6	-170.2	0	0	0	113.1	L88 T99 I103 L333 Q334 P340 F342 L352	L88-L336 HydrophobicContact CD1-CD1 3.84Å; T99-L336 HydrophobicContact CG2-CD2 3.51Å; I103-L336 HydrophobicContact CD1-CD1 4.28Å; I103-L336 HydrophobicContact CD1-CD2 4.15Å; I103-L336 HydrophobicContact CG1-CD1 3.94Å; I103-L336 HydrophobicContact CG1-CD2 4.05Å; L333-L336 HydrophobicContact CB-CD1 4.25Å; L333-L336 HydrophobicContact CB-CG 4.46Å; L333-L336 HydrophobicContact CD2-CD1 3.88Å; L333-L336 HydrophobicContact CD2-CG 4.42Å; L333-L336 WeakPolarHBondContact O-CB 3.26Å; L333-L336 WeakPolarHBondContact O-CG 3.37Å; L333-L336 PolarHBondContact O-N 3.08Å; Q334-L336 PolarHBondContact O-N 3.33Å; L336-P340 HydrophobicContact CD2-CB 4.32Å; L336-P340 WeakPolarHBondContact O-CG 3.3Å; L336-F342 HydrophobicContact CD2-CZ 4.2Å; L336-L352 HydrophobicContact CB-CB 3.82Å; L336-L352 HydrophobicContact CB-CD2 4.07Å; L336-L352 HydrophobicContact CD1-CD2 4.03Å; L336-L352 WeakPolarHBondContact O-CB 3.29Å; L336-L352 PolarHBondContact O-N 2.93Å
337	F	98	Very high	95.5	Very high	18 Å²	18	53.8 Å²	53.8	8%	0.079	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-94.2	-8.5	-176.9	-62.9	-94.3	0	0	0	113.9	L328 K329 Q334 S335 K351 L352 V355	L328-F337 HydrophobicContact CB-CE2 4.05Å; L328-F337 HydrophobicContact CB-CZ 3.96Å; K329-F337 HydrophobicContact CD-CD1 4.44Å; K329-F337 HydrophobicContact CD-CG 4.37Å; K329-F337 HydrophobicContact CG-CB 4.29Å; K329-F337 HydrophobicContact CG-CD1 4.08Å; K329-F337 HydrophobicContact CG-CD2 3.59Å; K329-F337 HydrophobicContact CG-CE1 4.29Å; K329-F337 HydrophobicContact CG-CE2 3.82Å; K329-F337 HydrophobicContact CG-CG 3.73Å; K329-F337 HydrophobicContact CG-CZ 4.16Å; Q334-F337 PolarHBondContact O-N 3.01Å; S335-F337 PolarHBondContact O-N 3.01Å; F337-K351 WeakPolarHBondContact O-CD 3.15Å; F337-L352 WeakPolarHBondContact CA-O 3.37Å; F337-L352 HydrophobicContact CD1-CB 4.4Å; F337-L352 HydrophobicContact CD1-CG 4.26Å; F337-L352 WeakPolarHBondContact CD1-O 3.49Å; F337-L352 HydrophobicContact CD2-CD2 4.48Å; F337-L352 HydrophobicContact CE1-CB 4.39Å; F337-L352 HydrophobicContact CE1-CD2 4.01Å; F337-L352 HydrophobicContact CE1-CG 3.76Å; F337-L352 HydrophobicContact CE2-CD2 3.77Å; F337-L352 HydrophobicContact CE2-CG 4.33Å; F337-L352 HydrophobicContact CZ-CD2 3.5Å; F337-L352 HydrophobicContact CZ-CG 3.81Å; F337-V355 HydrophobicContact CZ-CG2 4.24Å
338	T	95.1	Very high	95.4	Very high	84 Å²	84	58.7 Å²	58.7	52%	0.515	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-71.9	-173.6	49.3	0	0	0	0	110.8	S335	S335-T338 PolarHBondContact O-N 3.06Å; S335-T338 PolarHBondContact O-OG1 3.5Å
339	S	94.4	Very high	95.4	Very high	104 Å²	104	64.2 Å²	64.2	73%	0.727	35%	0.345	S	S	*	.	S	Bend	trans	-147.2	63.7	-175.6	60.3	0	0	0	0	112.1	S335	S335-S339 PolarHBondContact O-N 2.96Å
340	P	97.9	Very high	95.6	Very high	18 Å²	18	60.6 Å²	60.6	12%	0.117	33%	0.33	C	S	.	.			trans	-72.8	159.8	174.3	32.1	-35.4	0	0	0	112	T99 L336 F342 I350 K351	T99-P340 HydrophobicContact CG2-CB 3.78Å; L336-P340 HydrophobicContact CD2-CB 4.32Å; L336-P340 WeakPolarHBondContact O-CG 3.3Å; P340-F342 HydrophobicContact CB-CD2 3.81Å; P340-F342 HydrophobicContact CB-CE2 3.5Å; P340-F342 HydrophobicContact CB-CZ 4.09Å; P340-F342 HydrophobicContact CG-CD2 3.62Å; P340-F342 HydrophobicContact CG-CE2 3.41Å; P340-F342 VanDerWaalsContact CG-CE2 3.41Å; P340-F342 HydrophobicContact CG-CZ 4.42Å; P340-I350 WeakPolarHBondContact CG-O 3.32Å; P340-K351 HydrophobicContact CG-CB 3.75Å
341	D	98.1	Very high	95.9	Very high	63 Å²	63	60.1 Å²	60.1	34%	0.337	33%	0.326	S	S	.	.			trans	-98.5	103.3	167.6	-178.9	-1.3	0	0	0	109.3	A95 G96 T99 T343	A95-D341 CarbonylContact C-O 3.58Å; A95-D341 VanDerWaalsContact CA-O 3.26Å; A95-D341 WeakPolarHBondContact CA-O 3.45Å; G96-D341 WeakPolarHBondContact CA-OD2 3.22Å; G96-D341 PolarHBondContact N-O 2.95Å; T99-D341 PolarHBondContact OG1-N 3.31Å; D341-T343 WeakPolarHBondContact OD1-CB 3.13Å; D341-T343 WeakPolarHBondContact OD1-CG2 3.32Å; D341-T343 PolarHBondContact OD1-N 2.89Å; D341-T343 PolarHBondContact OD1-OG1 3.36Å
342	F	97.6	Very high	96.3	Very high	5 Å²	5	58.7 Å²	58.7	2%	0.022	32%	0.317	C	S	.	.			trans	-112.8	32.2	170.3	-68.3	-59.3	0	0	0	112	L91 G94 A95 T99 I103 I204 L336 P340 K344 I345 T346 I350	L91-F342 HydrophobicContact CD1-CD1 4.32Å; L91-F342 HydrophobicContact CD1-CE1 3.96Å; L91-F342 HydrophobicContact CD1-CZ 4.28Å; L91-F342 HydrophobicContact CD2-CE1 4.01Å; L91-F342 HydrophobicContact CD2-CZ 3.7Å; L91-F342 HydrophobicContact CG-CD1 4.49Å; L91-F342 HydrophobicContact CG-CE1 3.69Å; L91-F342 HydrophobicContact CG-CZ 3.93Å; G94-F342 CarbonylContact O-C 3.56Å; G94-F342 VanDerWaalsContact O-CA 3.3Å; G94-F342 WeakPolarHBondContact O-CA 3.37Å; A95-F342 HydrophobicContact CB-CD1 4.04Å; A95-F342 HydrophobicContact CB-CE1 3.95Å; T99-F342 HydrophobicContact CG2-CE1 3.95Å; T99-F342 HydrophobicContact CG2-CZ 4.04Å; I103-F342 HydrophobicContact CD1-CE1 4.43Å; I204-F342 HydrophobicContact CD1-CD2 3.6Å; I204-F342 HydrophobicContact CD1-CE2 3.67Å; I204-F342 HydrophobicContact CD1-CG 4.23Å; I204-F342 HydrophobicContact CD1-CZ 4.38Å; L336-F342 HydrophobicContact CD2-CZ 4.2Å; P340-F342 HydrophobicContact CB-CD2 3.81Å; P340-F342 HydrophobicContact CB-CE2 3.5Å; P340-F342 HydrophobicContact CB-CZ 4.09Å; P340-F342 HydrophobicContact CG-CD2 3.62Å; P340-F342 HydrophobicContact CG-CE2 3.41Å; P340-F342 VanDerWaalsContact CG-CE2 3.41Å; P340-F342 HydrophobicContact CG-CZ 4.42Å; F342-K344 PolarHBondContact O-N 2.85Å; F342-K344 VanDerWaalsContact O-N 3.15Å; F342-I345 HydrophobicContact CB-CD1 4.1Å; F342-I345 HydrophobicContact CB-CG1 4.32Å; F342-I345 HydrophobicContact CD1-CD1 4.09Å; F342-I345 HydrophobicContact CG-CD1 4.26Å; F342-I345 WeakPolarHBondContact O-CB 3.34Å; F342-I345 PolarHBondContact O-N 3.05Å; F342-T346 PolarHBondContact O-N 2.8Å; F342-I350 HydrophobicContact CB-CD1 4.08Å; F342-I350 HydrophobicContact CB-CG1 3.78Å; F342-I350 HydrophobicContact CD2-CG1 4.24Å; F342-I350 HydrophobicContact CG-CG1 4.42Å
343	T	95.9	Very high	96.7	Very high	66 Å²	66	50 Å²	50	41%	0.405	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19	-176.6	56.1	0	0	0	0	113.6	K150 D341 I345 T346	K150-T343 WeakPolarHBondContact CD-O 3.46Å; K150-T343 VanDerWaalsContact CE-O 3.24Å; K150-T343 WeakPolarHBondContact CE-O 3.28Å; K150-T343 PolarHBondContact NZ-O 2.62Å; D341-T343 WeakPolarHBondContact OD1-CB 3.13Å; D341-T343 WeakPolarHBondContact OD1-CG2 3.32Å; D341-T343 PolarHBondContact OD1-N 2.89Å; D341-T343 PolarHBondContact OD1-OG1 3.36Å; T343-I345 VanDerWaalsContact C-N 3.29Å; T343-T346 WeakPolarHBondContact CA-O 3.46Å
344	K	95.7	Very high	96.8	Very high	85 Å²	85	52.7 Å²	52.7	37%	0.37	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-19.5	171.8	-54.8	-179.8	-173.4	157.1	0	112.3	G94 A95 E100 F342	G94-K344 WeakPolarHBondContact O-CB 3.19Å; G94-K344 PolarHBondContact O-N 2.99Å; A95-K344 WeakPolarHBondContact O-CD 3.5Å; A95-K344 WeakPolarHBondContact O-CE 3.34Å; A95-K344 PolarHBondContact O-NZ 2.78Å; E100-K344 IonicContact OE2-NZ 2.91Å; E100-K344 PolarHBondContact OE2-NZ 3.45Å; F342-K344 PolarHBondContact O-N 2.85Å; F342-K344 VanDerWaalsContact O-N 3.15Å
345	I	95.8	Very high	96.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-53.8	172.2	-54.5	-176.7	0	0	0	110.7	L91 G94 L143 M149 K150 F153 F342 T343 I350	L91-I345 HydrophobicContact CD1-CD1 3.75Å; G94-I345 VanDerWaalsContact CA-CG1 3.43Å; L143-I345 HydrophobicContact CD1-CG2 4.22Å; M149-I345 CarbonylContact C-O 3.52Å; M149-I345 WeakPolarHBondContact CA-O 3.37Å; K150-I345 PolarHBondContact N-O 3.47Å; F153-I345 HydrophobicContact CD1-CB 4.29Å; F153-I345 HydrophobicContact CD1-CD1 4.39Å; F153-I345 HydrophobicContact CD1-CG1 3.86Å; F153-I345 HydrophobicContact CD1-CG2 3.99Å; F153-I345 HydrophobicContact CD2-CG1 4.3Å; F153-I345 HydrophobicContact CE1-CB 4.49Å; F153-I345 HydrophobicContact CE1-CD1 3.81Å; F153-I345 HydrophobicContact CE1-CG1 3.79Å; F153-I345 HydrophobicContact CE1-CG2 4.08Å; F153-I345 HydrophobicContact CE2-CD1 4.36Å; F153-I345 HydrophobicContact CE2-CG1 4.26Å; F153-I345 HydrophobicContact CG-CG1 4.11Å; F153-I345 HydrophobicContact CZ-CD1 3.81Å; F153-I345 HydrophobicContact CZ-CG1 4.02Å; F342-I345 HydrophobicContact CB-CD1 4.1Å; F342-I345 HydrophobicContact CB-CG1 4.32Å; F342-I345 HydrophobicContact CD1-CD1 4.09Å; F342-I345 HydrophobicContact CG-CD1 4.26Å; F342-I345 WeakPolarHBondContact O-CB 3.34Å; F342-I345 PolarHBondContact O-N 3.05Å; T343-I345 VanDerWaalsContact C-N 3.29Å; I345-I350 HydrophobicContact CB-CD1 4.25Å; I345-I350 HydrophobicContact CD1-CD1 4.32Å; I345-I350 HydrophobicContact CG2-CD1 4.1Å
346	T	95.4	Very high	96.9	Very high	5 Å²	5	46 Å²	46	3%	0.031	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-156.8	155.9	-175.2	-173.3	0	0	0	0	110.6	L147 R148 F342 T343 K348 I350	L147-T346 HydrophobicContact CD1-CG2 4.34Å; L147-T346 HydrophobicContact CD2-CG2 4.22Å; R148-T346 VanDerWaalsContact O-CB 3.31Å; R148-T346 WeakPolarHBondContact O-CB 3.42Å; R148-T346 PolarHBondContact O-OG1 3.01Å; F342-T346 PolarHBondContact O-N 2.8Å; T343-T346 WeakPolarHBondContact CA-O 3.46Å; T346-K348 VanDerWaalsContact C-N 3.3Å; T346-K348 HydrophobicContact CG2-CB 4.31Å; T346-K348 WeakPolarHBondContact CG2-O 3.37Å; T346-I350 HydrophobicContact CG2-CD1 3.75Å; T346-I350 HydrophobicContact CG2-CG1 4.12Å; T346-I350 HydrophobicContact CG2-CG2 4.07Å
347	A	94.3	Very high	96.9	Very high	86 Å²	86	46 Å²	46	71%	0.711	26%	0.264	S	S	*	.	S	Bend	trans	-73.1	-23.4	177.1	0	0	0	0	0	113
348	K	95.4	Very high	96.9	Very high	105 Å²	105	45.7 Å²	45.7	46%	0.457	26%	0.263	S	S	.	.	S	Bend	trans	-69.7	132.3	176.5	-175.5	-176	175.9	-175.4	0	109.3	E144 L147 T346 I350	E144-K348 IonicContact OE2-NZ 3.18Å; E144-K348 PolarHBondContact OE2-NZ 3.37Å; L147-K348 HydrophobicContact CD2-CB 4.23Å; L147-K348 HydrophobicContact CD2-CD 3.71Å; L147-K348 HydrophobicContact CD2-CG 4.49Å; T346-K348 VanDerWaalsContact C-N 3.3Å; T346-K348 HydrophobicContact CG2-CB 4.31Å; T346-K348 WeakPolarHBondContact CG2-O 3.37Å; K348-I350 PolarHBondContact O-N 3.23Å; K348-I350 VanDerWaalsContact O-N 3.15Å
349	P	96.3	Very high	97	Very high	121 Å²	121	41.7 Å²	41.7	79%	0.786	24%	0.238	S	C	*	.			trans	-59	120.4	170.4	-23.9	34.5	0	0	0	110.6
350	I	97.4	Very high	97.2	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	21%	0.207	C	C	.	.			trans	-128.4	156.6	176.1	58	172.5	0	0	0	108.6	L143 E144 L147 S203 I204 P340 F342 I345 T346 K348	L143-I350 HydrophobicContact CD2-CD1 4.5Å; E144-I350 WeakPolarHBondContact OE1-CG2 3.26Å; L147-I350 HydrophobicContact CD1-CD1 4.46Å; L147-I350 HydrophobicContact CD1-CG2 4.15Å; L147-I350 HydrophobicContact CD2-CG2 3.98Å; S203-I350 WeakPolarHBondContact OG-CA 3.49Å; S203-I350 WeakPolarHBondContact OG-CB 3.44Å; I204-I350 HydrophobicContact CD1-CB 4.39Å; I204-I350 HydrophobicContact CD1-CD1 3.75Å; I204-I350 HydrophobicContact CD1-CG1 3.99Å; I204-I350 HydrophobicContact CG1-CB 4.34Å; I204-I350 HydrophobicContact CG1-CD1 4.05Å; I204-I350 HydrophobicContact CG1-CG1 4.39Å; P340-I350 WeakPolarHBondContact CG-O 3.32Å; F342-I350 HydrophobicContact CB-CD1 4.08Å; F342-I350 HydrophobicContact CB-CG1 3.78Å; F342-I350 HydrophobicContact CD2-CG1 4.24Å; F342-I350 HydrophobicContact CG-CG1 4.42Å; I345-I350 HydrophobicContact CB-CD1 4.25Å; I345-I350 HydrophobicContact CD1-CD1 4.32Å; I345-I350 HydrophobicContact CG2-CD1 4.1Å; T346-I350 HydrophobicContact CG2-CD1 3.75Å; T346-I350 HydrophobicContact CG2-CG1 4.12Å; T346-I350 HydrophobicContact CG2-CG2 4.07Å; K348-I350 PolarHBondContact O-N 3.23Å; K348-I350 VanDerWaalsContact O-N 3.15Å
351	K	98	Very high	97.2	Very high	95 Å²	95	36.7 Å²	36.7	41%	0.413	20%	0.202	S	C	.	.			trans	-143.6	157.5	-177.2	66	-174.7	-173.2	169.4	0	112.6	S203 I204 F337 P340 S353	S203-K351 WeakPolarHBondContact CB-O 3.33Å; S203-K351 PolarHBondContact OG-N 3.48Å; S203-K351 VanDerWaalsContact OG-N 3.1Å; I204-K351 WeakPolarHBondContact CB-O 3.32Å; I204-K351 WeakPolarHBondContact CG1-O 3.46Å; I204-K351 PolarHBondContact N-O 2.97Å; F337-K351 WeakPolarHBondContact O-CD 3.15Å; P340-K351 HydrophobicContact CG-CB 3.75Å; K351-S353 PolarHBondContact O-N 3.24Å; K351-S353 VanDerWaalsContact O-N 3.12Å
352	L	98.6	Very high	97.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	116.1	169.3	-173.8	58.1	0	0	0	108.3	I204 L206 L336 F337 H354 V355	I204-L352 HydrophobicContact CG2-CD1 4.27Å; L206-L352 HydrophobicContact CB-CD1 4.48Å; L206-L352 HydrophobicContact CD1-CD1 3.89Å; L206-L352 HydrophobicContact CD1-CD2 4.3Å; L206-L352 HydrophobicContact CG-CD1 3.67Å; L336-L352 HydrophobicContact CB-CB 3.82Å; L336-L352 HydrophobicContact CB-CD2 4.07Å; L336-L352 HydrophobicContact CD1-CD2 4.03Å; L336-L352 WeakPolarHBondContact O-CB 3.29Å; L336-L352 PolarHBondContact O-N 2.93Å; F337-L352 WeakPolarHBondContact CA-O 3.37Å; F337-L352 HydrophobicContact CD1-CB 4.4Å; F337-L352 HydrophobicContact CD1-CG 4.26Å; F337-L352 WeakPolarHBondContact CD1-O 3.49Å; F337-L352 HydrophobicContact CD2-CD2 4.48Å; F337-L352 HydrophobicContact CE1-CB 4.39Å; F337-L352 HydrophobicContact CE1-CD2 4.01Å; F337-L352 HydrophobicContact CE1-CG 3.76Å; F337-L352 HydrophobicContact CE2-CD2 3.77Å; F337-L352 HydrophobicContact CE2-CG 4.33Å; F337-L352 HydrophobicContact CZ-CD2 3.5Å; F337-L352 HydrophobicContact CZ-CG 3.81Å; L352-H354 WeakPolarHBondContact CD1-O 3.38Å; L352-V355 HydrophobicContact CD1-CG2 4.11Å; L352-V355 HydrophobicContact CD2-CG2 4.03Å; L352-V355 HydrophobicContact CG-CG2 4.27Å
353	S	98	Very high	97.1	Very high	23 Å²	23	35.2 Å²	35.2	16%	0.161	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-41.5	-177.2	63	0	0	0	0	111.2	S203 I204 K351	S203-S353 PolarHBondContact N-OG 2.98Å; I204-S353 PolarHBondContact N-OG 2.97Å; I204-S353 PolarHBondContact O-N 2.89Å; I204-S353 PolarHBondContact O-OG 2.78Å; K351-S353 PolarHBondContact O-N 3.24Å; K351-S353 VanDerWaalsContact O-N 3.12Å
354	H	98.3	Very high	97.2	Very high	57 Å²	57	33.5 Å²	33.5	26%	0.264	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	150.8	-172.9	-64	86	0	0	0	111	P199 T200 I204 L205 L206 L352	P199-H354 WeakPolarHBondContact CB-NE2 3.23Å; T200-H354 PolarHBondContact O-CE1 2.83Å; T200-H354 VanDerWaalsContact O-CE1 3.25Å; I204-H354 PolarHBondContact O-N 2.82Å; L205-H354 WeakPolarHBondContact CA-O 2.86Å; L205-H354 HydrophobicContact CB-CB 4.23Å; L205-H354 HydrophobicContact CD1-CB 3.41Å; L205-H354 VanDerWaalsContact CD1-CB 3.41Å; L205-H354 HydrophobicContact CG-CB 4.39Å; L206-H354 PolarHBondContact N-O 2.58Å; L352-H354 WeakPolarHBondContact CD1-O 3.38Å
355	V	98.2	Very high	97.3	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.024	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	115.6	172.4	-176.3	0	0	0	0	106.6	L84 L206 A323 L324 L328 F337 L352	L84-V355 HydrophobicContact CD2-CG1 3.78Å; L206-V355 HydrophobicContact CB-CG1 4.37Å; L206-V355 HydrophobicContact CB-CG2 4.43Å; L206-V355 CarbonylContact O-C 3.51Å; L206-V355 WeakPolarHBondContact O-CA 3.41Å; A323-V355 CarbonylContact C-O 3.46Å; A323-V355 WeakPolarHBondContact CA-O 3.45Å; L324-V355 HydrophobicContact CB-CG1 4.21Å; L324-V355 PolarHBondContact N-O 2.74Å; L328-V355 HydrophobicContact CD1-CG1 4.33Å; L328-V355 HydrophobicContact CD2-CG1 4.35Å; L328-V355 HydrophobicContact CD2-CG2 3.88Å; F337-V355 HydrophobicContact CZ-CG2 4.24Å; L352-V355 HydrophobicContact CD1-CG2 4.11Å; L352-V355 HydrophobicContact CD2-CG2 4.03Å; L352-V355 HydrophobicContact CG-CG2 4.27Å
356	Q	98.2	Very high	97.3	Very high	22 Å²	22	33.6 Å²	33.6	10%	0.103	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.4	177	-174.4	72	25.3	0	0	109.9	F194 M195 L205 L206 G208 E322	F194-Q356 HydrophobicContact CD1-CG 4.41Å; F194-Q356 HydrophobicContact CE1-CB 3.91Å; F194-Q356 HydrophobicContact CE1-CG 3.56Å; F194-Q356 HydrophobicContact CE2-CG 4.13Å; F194-Q356 HydrophobicContact CZ-CB 3.77Å; F194-Q356 HydrophobicContact CZ-CG 3.39Å; M195-Q356 HydrophobicContact CG-CB 4.4Å; M195-Q356 HydrophobicContact CG-CG 3.48Å; M195-Q356 VanDerWaalsContact CG-CG 3.48Å; M195-Q356 HydrophobicContact SD-CB 3.75Å; M195-Q356 HydrophobicContact SD-CG 3.49Å; M195-Q356 WeakPolarHBondContact SD-CG 3.44Å; L205-Q356 HydrophobicContact CD1-CB 4.1Å; L206-Q356 PolarHBondContact O-N 3.49Å; G208-Q356 PolarHBondContact N-O 3.3Å; E322-Q356 PolarHBondContact O-NE2 3.31Å
357	H	98.1	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.9	172.4	-169.4	54.8	0	0	0	112.2	L79 S80 L84 G208 E322 L324	L79-H357 VanDerWaalsContact CD2-CD2 3.46Å; L79-H357 WeakPolarHBondContact CD2-CD2 3.25Å; S80-H357 PolarHBondContact N-CE1 2.91Å; S80-H357 PolarHBondContact N-NE2 2.84Å; S80-H357 PolarHBondContact O-CE1 2.89Å; S80-H357 VanDerWaalsContact O-CE1 3.31Å; L84-H357 HydrophobicContact CD1-CB 3.99Å; L84-H357 HydrophobicContact CD2-CB 4.47Å; G208-H357 CarbonylContact O-C 3.57Å; G208-H357 VanDerWaalsContact O-CA 3.27Å; G208-H357 WeakPolarHBondContact O-CA 3.48Å; G208-H357 PolarHBondContact O-ND1 3.09Å; G208-H357 VanDerWaalsContact O-ND1 3.12Å; E322-H357 PolarHBondContact N-O 3.08Å; E322-H357 PolarHBondContact O-N 2.64Å; L324-H357 HydrophobicContact CD1-CB 3.52Å; L324-H357 HydrophobicContact CG-CB 4.04Å
358	K	98.2	Very high	97	Very high	11 Å²	11	36.5 Å²	36.5	5%	0.048	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127.6	166.8	-170.2	158.3	-168.1	150.1	0	112	I191 R193 F194 G208 A209 A210 N319 Y320 E321	I191-K358 HydrophobicContact CD1-CG 4.4Å; I191-K358 HydrophobicContact CG2-CD 3.76Å; I191-K358 HydrophobicContact CG2-CG 4.37Å; R193-K358 WeakPolarHBondContact O-CD 3.31Å; R193-K358 WeakPolarHBondContact O-CE 3.42Å; R193-K358 PolarHBondContact O-NZ 2.95Å; F194-K358 HydrophobicContact CD2-CB 3.54Å; F194-K358 HydrophobicContact CD2-CD 4.3Å; F194-K358 HydrophobicContact CD2-CG 4.49Å; F194-K358 HydrophobicContact CE2-CB 3.59Å; G208-K358 PolarHBondContact O-N 3.08Å; A209-K358 CarbonylContact C-O 3.38Å; A209-K358 WeakPolarHBondContact CA-O 3.46Å; A210-K358 PolarHBondContact N-O 2.95Å; N319-K358 WeakPolarHBondContact OD1-CE 3.3Å; Y320-K358 CarbonylContact O-C 3.45Å; Y320-K358 VanDerWaalsContact O-CA 3.26Å; Y320-K358 WeakPolarHBondContact O-CA 3.38Å; Y320-K358 WeakPolarHBondContact O-CG 3.28Å; E321-K358 HydrophobicContact CB-CD 4.29Å; E321-K358 HydrophobicContact CB-CG 4.4Å; E321-K358 HydrophobicContact CG-CD 4.39Å; E321-K358 IonicContact OE2-NZ 2.64Å; E321-K358 PolarHBondContact OE2-NZ 3.01Å
359	A	97.6	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.7	-178.9	0	0	0	0	0	110.3	L78 A210 Y320 F407	L78-A359 HydrophobicContact CD2-CB 3.88Å; L78-A359 HydrophobicContact CG-CB 4.13Å; A210-A359 CarbonylContact O-C 3.59Å; A210-A359 VanDerWaalsContact O-CA 3.3Å; A210-A359 WeakPolarHBondContact O-CA 3.15Å; Y320-A359 PolarHBondContact N-O 3.17Å; Y320-A359 PolarHBondContact O-N 3.18Å; A359-F407 HydrophobicContact CB-CE1 3.88Å
360	I	97.8	Very high	95.7	Very high	15 Å²	15	34.6 Å²	34.6	8%	0.077	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124	170.3	-56.9	-176.7	0	0	0	109	I191 A210 H211 F212 L318 N319 E362	I191-I360 HydrophobicContact CG1-CD1 3.87Å; I191-I360 HydrophobicContact CG1-CG1 4.28Å; A210-I360 PolarHBondContact O-N 3.37Å; H211-I360 CarbonylContact C-O 3.52Å; H211-I360 WeakPolarHBondContact CA-O 3.48Å; F212-I360 PolarHBondContact N-O 3.39Å; L318-I360 VanDerWaalsContact O-CA 3.29Å; L318-I360 WeakPolarHBondContact O-CA 3.4Å; N319-I360 HydrophobicContact CB-CG1 4.34Å; I360-E362 HydrophobicContact CG2-CG 4.32Å
361	L	97.8	Very high	94.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.6	176.5	174.1	61.7	0	0	0	110.1	L78 F212 I316 R317 L318 L363 L395 L397 F407	L78-L361 HydrophobicContact CD1-CB 4.09Å; L78-L361 HydrophobicContact CD1-CD2 3.88Å; L78-L361 HydrophobicContact CD2-CB 3.81Å; F212-L361 HydrophobicContact CB-CD1 4.22Å; F212-L361 HydrophobicContact CD1-CD1 3.75Å; F212-L361 HydrophobicContact CG-CD1 4.43Å; F212-L361 WeakPolarHBondContact O-CA 3.2Å; I316-L361 HydrophobicContact CG2-CD2 4.38Å; R317-L361 VanDerWaalsContact CA-O 3.31Å; R317-L361 WeakPolarHBondContact CA-O 3.48Å; L318-L361 PolarHBondContact N-O 3.18Å; L318-L361 PolarHBondContact O-N 2.92Å; L361-L363 HydrophobicContact CD1-CD2 4.35Å; L361-L363 HydrophobicContact CD1-CG 4.11Å; L361-L363 HydrophobicContact CG-CG 4.45Å; L361-L395 HydrophobicContact CD2-CD2 3.57Å; L361-L397 HydrophobicContact CD1-CD1 3.61Å; L361-F407 HydrophobicContact CB-CD1 4.28Å; L361-F407 HydrophobicContact CB-CE1 4.28Å
362	E	97.4	Very high	93.6	Very high	36 Å²	36	36.2 Å²	36.2	17%	0.168	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.1	175.7	-62.3	-172	-178.9	0	0	110.6	F212 K213 G214 I316 R317 I360	F212-E362 PolarHBondContact O-N 3.42Å; K213-E362 WeakPolarHBondContact CA-O 3.38Å; K213-E362 HydrophobicContact CB-CB 4.21Å; K213-E362 HydrophobicContact CG-CB 4.02Å; G214-E362 PolarHBondContact N-O 3.03Å; I316-E362 CarbonylContact O-C 3.56Å; I316-E362 WeakPolarHBondContact O-CA 3.41Å; R317-E362 HydrophobicContact CG-CG 4.04Å; R317-E362 IonicContact CZ-OE1 3.6Å; R317-E362 IonicContact NE-OE1 2.67Å; R317-E362 PolarHBondContact NE-OE1 3.43Å; R317-E362 IonicContact NH2-OE1 3.82Å; R317-E362 PolarHBondContact NH2-OE1 3.26Å; I360-E362 HydrophobicContact CG2-CG 4.32Å
363	L	97.6	Very high	92.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.6	171.6	-59.4	175.3	0	0	0	108.6	F212 W216 L267 I316 L361 L395	F212-L363 HydrophobicContact CE1-CD2 4.41Å; W216-L363 HydrophobicContact CH2-CD1 4.08Å; W216-L363 HydrophobicContact CH2-CD2 4.33Å; W216-L363 HydrophobicContact CZ2-CB 3.99Å; W216-L363 HydrophobicContact CZ2-CD1 4.25Å; W216-L363 HydrophobicContact CZ2-CD2 4.23Å; W216-L363 HydrophobicContact CZ2-CG 4.39Å; L267-L363 HydrophobicContact CD2-CD2 4.24Å; I316-L363 HydrophobicContact CB-CB 4.23Å; I316-L363 HydrophobicContact CD1-CD1 4.28Å; I316-L363 PolarHBondContact N-O 2.8Å; I316-L363 PolarHBondContact O-N 3.06Å; L361-L363 HydrophobicContact CD1-CD2 4.35Å; L361-L363 HydrophobicContact CD1-CG 4.11Å; L361-L363 HydrophobicContact CG-CG 4.45Å; L363-L395 HydrophobicContact CD1-CD2 3.95Å
364	N	97	Very high	90.5	Very high	31 Å²	31	44.5 Å²	44.5	17%	0.166	25%	0.245	C	C	.	.			trans	-131.3	-162.9	-178	68.7	-8.4	0	0	0	109.6	W216 M243 D366	W216-N364 VanDerWaalsContact CD1-O 3.22Å; W216-N364 PolarHBondContact NE1-O 3.36Å; M243-N364 VanDerWaalsContact SD-O 3.37Å; N364-D366 VanDerWaalsContact ND2-CG 3.29Å; N364-D366 PolarHBondContact ND2-OD2 3.46Å; N364-D366 PolarHBondContact O-N 3.07Å; N364-D366 VanDerWaalsContact OD1-CB 3.26Å; N364-D366 WeakPolarHBondContact OD1-CB 3.29Å; N364-D366 VanDerWaalsContact OD1-CG 3.28Å; N364-D366 PolarHBondContact OD1-N 2.86Å; N364-D366 PolarHBondContact OD1-OD2 2.94Å
365	E	97.9	Very high	88.7	Confident	20 Å²	20	44.8 Å²	44.8	9%	0.093	26%	0.263	C	S	.	.	S	Bend	trans	-74.4	-12.5	-175	-56.6	86.2	159.5	0	0	113.5	K219 F220 T222 T225 M243 K315 G367	K219-E365 WeakPolarHBondContact CB-O 3.17Å; F220-E365 HydrophobicContact CB-CB 4.02Å; F220-E365 HydrophobicContact CB-CG 4.19Å; F220-E365 PolarHBondContact N-O 3.03Å; F220-E365 VanDerWaalsContact N-O 3.09Å; T222-E365 HydrophobicContact CG2-CB 3.83Å; T222-E365 HydrophobicContact CG2-CG 3.94Å; T225-E365 PolarHBondContact OG1-OE1 3.13Å; M243-E365 HydrophobicContact CG-CG 3.96Å; M243-E365 HydrophobicContact SD-CB 4.42Å; M243-E365 HydrophobicContact SD-CG 3.86Å; M243-E365 PolarHBondContact SD-N 3.17Å; K315-E365 WeakPolarHBondContact CD-OE1 3.3Å; K315-E365 WeakPolarHBondContact CE-OE1 3.25Å; K315-E365 VanDerWaalsContact CE-OE2 3.24Å; K315-E365 WeakPolarHBondContact CE-OE2 3.36Å; K315-E365 IonicContact NZ-OE1 3.36Å; K315-E365 PolarHBondContact NZ-OE1 3.16Å; K315-E365 IonicContact NZ-OE2 3.22Å; K315-E365 PolarHBondContact NZ-OE2 3.03Å; E365-G367 PolarHBondContact O-N 2.99Å
366	D	96.5	Very high	87.6	Confident	67 Å²	67	47.3 Å²	47.3	36%	0.358	28%	0.278	S	S	.	.			trans	-60.1	129.7	-172.1	-64.4	-22.6	0	0	0	110.9	K213 W216 N364	K213-D366 WeakPolarHBondContact CE-OD2 3.31Å; K213-D366 IonicContact NZ-OD2 3.3Å; K213-D366 PolarHBondContact NZ-OD2 2.76Å; W216-D366 PolarHBondContact N-O 3.46Å; N364-D366 VanDerWaalsContact ND2-CG 3.29Å; N364-D366 PolarHBondContact ND2-OD2 3.46Å; N364-D366 PolarHBondContact O-N 3.07Å; N364-D366 VanDerWaalsContact OD1-CB 3.26Å; N364-D366 WeakPolarHBondContact OD1-CB 3.29Å; N364-D366 VanDerWaalsContact OD1-CG 3.28Å; N364-D366 PolarHBondContact OD1-N 2.86Å; N364-D366 PolarHBondContact OD1-OD2 2.94Å
367	G	92.8	Very high	86.5	Confident	21 Å²	21	53.4 Å²	53.4	22%	0.216	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	161.1	176.9	0	0	0	0	0	112.4	W216 E365	W216-G367 CarbonylContact O-C 3.55Å; W216-G367 WeakPolarHBondContact O-CA 3.35Å; E365-G367 PolarHBondContact O-N 2.99Å
368	E	89.4	Confident	85.5	Confident	130 Å²	130	54.4 Å²	54.4	61%	0.607	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	-42.4	-174.4	-170	-174.6	161.7	0	0	112.3	W216 T268	W216-E368 PolarHBondContact O-N 3.34Å; T268-E368 HydrophobicContact CG2-CB 4.03Å
369	R	86.3	Confident	84.5	Confident	104 Å²	104	56.3 Å²	56.3	39%	0.392	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.8	-175.1	-58.4	179.8	-174.3	177	2.6	111.7	G217 K219 T371 N373	G217-R369 WeakPolarHBondContact O-CB 3.33Å; G217-R369 PolarHBondContact O-N 2.73Å; K219-R369 WeakPolarHBondContact CG-O 3.3Å; K219-R369 PolarHBondContact N-O 2.64Å; R369-T371 WeakPolarHBondContact CB-O 3.39Å; R369-N373 VanDerWaalsContact NH1-CB 3.34Å; R369-N373 PolarHBondContact NH1-OD1 2.98Å
370	S	78.7	Confident	83.2	Confident	82 Å²	82	67.2 Å²	67.2	57%	0.573	38%	0.379	S	S	*	.	S	Bend	trans	-88.6	-13.5	174.3	-51.9	0	0	0	0	113.1	K219	K219-S370 WeakPolarHBondContact CE-OG 3.44Å; K219-S370 PolarHBondContact NZ-OG 2.98Å
371	T	77.3	Confident	82	Confident	93 Å²	93	71 Å²	71	57%	0.571	40%	0.399	S	S	*	.	S	Bend	trans	-137.2	154.3	178.2	57.5	0	0	0	0	109.5	R369	R369-T371 WeakPolarHBondContact CB-O 3.39Å
372	P	74.2	Confident	80.8	Confident	41 Å²	41	77.2 Å²	77.2	27%	0.266	44%	0.437	S	S	.	.			trans	-55.6	158	173.3	-23.8	33.7	0	0	0	112.7	I249	I249-P372 HydrophobicContact CB-CB 4.26Å; I249-P372 HydrophobicContact CB-CG 4.25Å; I249-P372 HydrophobicContact CD1-CB 3.52Å; I249-P372 HydrophobicContact CD1-CG 3.72Å; I249-P372 HydrophobicContact CG1-CB 4.04Å; I249-P372 HydrophobicContact CG1-CG 3.83Å
373	N	73	Confident	79.8	Confident	76 Å²	76	83.1 Å²	83.1	41%	0.406	46%	0.462	S	S	.	.			trans	-63.9	126	178	-174.6	4.3	0	0	0	110.6	R369 G375 V376	R369-N373 VanDerWaalsContact NH1-CB 3.34Å; R369-N373 PolarHBondContact NH1-OD1 2.98Å; N373-G375 PolarHBondContact O-N 2.8Å; N373-V376 HydrophobicContact CB-CG2 3.84Å; N373-V376 WeakPolarHBondContact O-CB 3.33Å; N373-V376 PolarHBondContact O-N 3.21Å
374	P	58.5	Low	78.8	Confident	123 Å²	123	87.4 Å²	87.4	80%	0.799	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.2	-178.6	-26.2	33.3	0	0	0	115.1	V376	P374-V376 VanDerWaalsContact C-N 3.32Å
375	G	61.4	Low	78.6	Confident	62 Å²	62	87.1 Å²	87.1	64%	0.639	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-2	177.6	0	0	0	0	0	115.3	N373 N377	N373-G375 PolarHBondContact O-N 2.8Å; G375-N377 PolarHBondContact O-N 2.94Å
376	V	73.4	Confident	78.4	Confident	57 Å²	57	91.7 Å²	91.7	35%	0.345	51%	0.509	S	S	.	.			trans	-88.4	106.4	-179.4	176.6	0	0	0	0	109.6	I249 T306 N373 P374 A378	I249-V376 HydrophobicContact CG2-CG1 3.75Å; T306-V376 HydrophobicContact CG2-CG1 3.6Å; N373-V376 HydrophobicContact CB-CG2 3.84Å; N373-V376 WeakPolarHBondContact O-CB 3.33Å; N373-V376 PolarHBondContact O-N 3.21Å; P374-V376 VanDerWaalsContact C-N 3.32Å; V376-A378 PolarHBondContact O-N 2.6Å
377	N	74.8	Confident	78.5	Confident	151 Å²	151	88.5 Å²	88.5	81%	0.807	49%	0.492	S	S	*	.			trans	-79.7	98.5	173.5	-70.2	-27.7	0	0	0	109.9	G375	G375-N377 PolarHBondContact O-N 2.94Å
378	A	78.1	Confident	78.8	Confident	20 Å²	20	89.7 Å²	89.7	17%	0.165	49%	0.492	C	S	.	.			trans	-87.9	136.8	173.2	0	0	0	0	0	110.9	I249 T306 V376 R380	I249-A378 HydrophobicContact CD1-CB 4.17Å; I249-A378 HydrophobicContact CG1-CB 4.38Å; I249-A378 HydrophobicContact CG2-CB 3.99Å; T306-A378 HydrophobicContact CG2-CB 3.99Å; V376-A378 PolarHBondContact O-N 2.6Å; A378-R380 PolarHBondContact O-N 3.18Å
379	A	78	Confident	79.2	Confident	52 Å²	52	83.5 Å²	83.5	43%	0.43	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-63.9	128.1	172.1	0	0	0	0	0	109.8	T306 L381	T306-A379 PolarHBondContact O-N 2.88Å; A379-L381 PolarHBondContact O-N 3.05Å
380	R	69.1	Low	79.8	Confident	229 Å²	229	80.4 Å²	80.4	86%	0.864	46%	0.455	S	S	*	.			trans	-87.5	106.3	169.5	-71.3	-171.9	-178.3	-173.6	3	108.5	A378	A378-R380 PolarHBondContact O-N 3.18Å
381	L	73.9	Confident	80.7	Confident	95 Å²	95	77.5 Å²	77.5	50%	0.497	43%	0.431	S	S	.	.			trans	-84.1	155.9	174.8	-60.2	174.7	0	0	0	110.1	V307 A379 F383 I385	V307-L381 HydrophobicContact CG1-CD1 4.26Å; A379-L381 PolarHBondContact O-N 3.05Å; L381-F383 WeakPolarHBondContact CB-O 3.46Å; L381-F383 PolarHBondContact O-N 3.14Å; L381-I385 HydrophobicContact CD1-CD1 3.27Å; L381-I385 HydrophobicContact CD1-CG1 3.71Å
382	T	72.6	Confident	81.8	Confident	130 Å²	130	73 Å²	73	80%	0.798	40%	0.404	S	S	*	.	S	Bend	trans	-69.2	-18.2	176.8	42	0	0	0	0	113.2
383	F	75.6	Confident	82.9	Confident	161 Å²	161	71.1 Å²	71.1	71%	0.706	39%	0.391	S	S	*	.	S	Bend	trans	-131	147	178.1	-56.4	-78.5	0	0	0	110.2	L381	L381-F383 WeakPolarHBondContact CB-O 3.46Å; L381-F383 PolarHBondContact O-N 3.14Å
384	P	76.9	Confident	84.1	Confident	91 Å²	91	67.5 Å²	67.5	59%	0.591	37%	0.372	S	S	*	.			trans	-68.2	131.9	176.5	27.8	-32.4	0	0	0	110.5	V310	V310-P384 HydrophobicContact CG2-CB 4.15Å
385	I	92	Very high	86.1	Confident	24 Å²	24	61.7 Å²	61.7	12%	0.123	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.7	167.2	-73.3	173.9	0	0	0	108.3	Y252 V307 A309 V310 L381	Y252-I385 HydrophobicContact CD1-CD1 3.8Å; Y252-I385 HydrophobicContact CD1-CG2 4.49Å; Y252-I385 HydrophobicContact CD2-CG2 4.09Å; Y252-I385 HydrophobicContact CE1-CD1 4.15Å; Y252-I385 HydrophobicContact CE1-CG2 4.47Å; Y252-I385 HydrophobicContact CE2-CG2 4.04Å; Y252-I385 HydrophobicContact CG-CD1 4.28Å; Y252-I385 HydrophobicContact CG-CG2 4.31Å; V307-I385 HydrophobicContact CB-CD1 3.86Å; V307-I385 HydrophobicContact CG1-CD1 3.93Å; V307-I385 HydrophobicContact CG2-CD1 3.68Å; A309-I385 CarbonylContact C-O 3.49Å; A309-I385 VanDerWaalsContact CA-O 3.22Å; A309-I385 WeakPolarHBondContact CA-O 3.07Å; A309-I385 HydrophobicContact CB-CB 4.1Å; A309-I385 HydrophobicContact CB-CG2 4Å; A309-I385 WeakPolarHBondContact CB-O 3.21Å; V310-I385 PolarHBondContact N-O 3.49Å; L381-I385 HydrophobicContact CD1-CD1 3.27Å; L381-I385 HydrophobicContact CD1-CG1 3.71Å
386	E	95	Very high	87.8	Confident	116 Å²	116	58.7 Å²	58.7	54%	0.542	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.3	175.7	-68.4	-175.4	179.2	0	0	111.1	K261	K261-E386 PolarHBondContact NZ-O 2.78Å
387	Y	97.9	Very high	89	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	83.8	177.1	-157.3	-89.8	0	0	0	110.3	Y252 K261 A263 F275 L277 V310 L311 S312 V389	Y252-Y387 HydrophobicContact CD2-CD2 4.02Å; Y252-Y387 HydrophobicContact CD2-CE2 4.41Å; Y252-Y387 AromaticContact CE2-CD2 3.84Å; Y252-Y387 HydrophobicContact CE2-CD2 3.84Å; Y252-Y387 HydrophobicContact CE2-CE2 4.23Å; K261-Y387 HydrophobicContact CB-CD2 4.18Å; K261-Y387 HydrophobicContact CB-CE2 3.65Å; K261-Y387 WeakPolarHBondContact O-CE2 3.1Å; K261-Y387 PolarHBondContact O-OH 3.32Å; A263-Y387 HydrophobicContact CB-CD1 3.83Å; A263-Y387 HydrophobicContact CB-CD2 3.89Å; A263-Y387 HydrophobicContact CB-CE1 3.48Å; A263-Y387 VanDerWaalsContact CB-CE1 3.48Å; A263-Y387 HydrophobicContact CB-CE2 3.54Å; A263-Y387 HydrophobicContact CB-CG 4.02Å; A263-Y387 PolarHBondContact N-OH 3.1Å; F275-Y387 HydrophobicContact CB-CE1 4.19Å; F275-Y387 WeakPolarHBondContact CB-OH 3.38Å; F275-Y387 PolarHBondContact O-OH 3.43Å; L277-Y387 HydrophobicContact CB-CE2 4.34Å; L277-Y387 WeakPolarHBondContact CB-OH 3.33Å; L277-Y387 HydrophobicContact CD2-CE1 4.33Å; L277-Y387 HydrophobicContact CD2-CE2 4.28Å; V310-Y387 PolarHBondContact O-N 2.68Å; L311-Y387 WeakPolarHBondContact CA-O 3.42Å; L311-Y387 HydrophobicContact CD1-CD1 3.79Å; L311-Y387 WeakPolarHBondContact CD1-O 3.46Å; S312-Y387 PolarHBondContact N-O 3.2Å; Y387-V389 HydrophobicContact CD1-CG2 3.82Å; Y387-V389 HydrophobicContact CE1-CG2 3.48Å; Y387-V389 VanDerWaalsContact CE1-CG2 3.48Å
388	H	98.4	Very high	90.2	Very high	47 Å²	47	49.1 Å²	49.1	22%	0.218	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	110.3	178.3	-58.7	-58.3	0	0	0	110.1	L277 S312 D390 R391	L277-H388 WeakPolarHBondContact CD2-O 3.27Å; S312-H388 WeakPolarHBondContact OG-CA 3.46Å; S312-H388 PolarHBondContact OG-ND1 2.97Å; H388-D390 PolarHBondContact O-N 2.9Å; H388-R391 PolarHBondContact O-NH1 2.79Å
389	V	98.6	Very high	91.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.			trans	-85	69.5	176.5	-171.1	0	0	0	0	109	S312 L313 P314 Y387 F393	S312-V389 PolarHBondContact O-N 2.81Å; L313-V389 HydrophobicContact CD1-CB 3.93Å; L313-V389 HydrophobicContact CD1-CG1 4.11Å; L313-V389 HydrophobicContact CD1-CG2 3.73Å; P314-V389 WeakPolarHBondContact CD-O 3.46Å; P314-V389 HydrophobicContact CG-CG1 4.5Å; Y387-V389 HydrophobicContact CD1-CG2 3.82Å; Y387-V389 HydrophobicContact CE1-CG2 3.48Å; Y387-V389 VanDerWaalsContact CE1-CG2 3.48Å; V389-F393 HydrophobicContact CG1-CB 4.24Å; V389-F393 HydrophobicContact CG1-CD1 3.36Å; V389-F393 HydrophobicContact CG1-CD2 3.98Å; V389-F393 HydrophobicContact CG1-CE1 3.53Å; V389-F393 HydrophobicContact CG1-CE2 4.13Å; V389-F393 HydrophobicContact CG1-CG 3.6Å; V389-F393 HydrophobicContact CG1-CZ 3.92Å
390	D	98.4	Very high	92	Very high	39 Å²	39	48.9 Å²	48.9	21%	0.209	24%	0.239	C	C	.	.			trans	-113.7	17.5	-172.3	59.8	9.5	0	0	0	113.2	F230 H231 M242 H388	F230-D390 CarbonylContact C-O 3.56Å; F230-D390 VanDerWaalsContact CA-O 3.29Å; F230-D390 WeakPolarHBondContact CA-O 3.45Å; F230-D390 VanDerWaalsContact CD2-C 3.47Å; H231-D390 PolarHBondContact N-O 3.11Å; M242-D390 HydrophobicContact CE-CB 4.26Å; H388-D390 PolarHBondContact O-N 2.9Å
391	R	98.5	Very high	93.3	Very high	20 Å²	20	42 Å²	42	8%	0.075	22%	0.223	C	C	.	.	S	Bend	trans	-156.2	171.6	-177.3	62.9	-171.9	171.8	-80.4	-2.3	110	F230 H231 L277 P278 V281 H388 F393	F230-R391 VanDerWaalsContact CZ-O 3.28Å; F230-R391 WeakPolarHBondContact CZ-O 3.4Å; H231-R391 HydrophobicContact CB-CB 4.33Å; H231-R391 WeakPolarHBondContact O-CA 3.32Å; L277-R391 HydrophobicContact CD1-CG 3.69Å; P278-R391 VanDerWaalsContact O-CZ 3.32Å; P278-R391 PolarHBondContact O-NE 3.29Å; P278-R391 PolarHBondContact O-NH2 3.48Å; V281-R391 HydrophobicContact CG1-CB 4.34Å; V281-R391 HydrophobicContact CG2-CB 4.11Å; H388-R391 PolarHBondContact O-NH1 2.79Å; R391-F393 WeakPolarHBondContact O-CD1 3.07Å; R391-F393 PolarHBondContact O-N 2.83Å
392	P	98.6	Very high	94.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.			trans	-57	139.2	-173.4	-25	36.2	0	0	0	112.8	H231 L232 P278 T282 Q283 I411 L412	H231-P392 WeakPolarHBondContact O-CD 3.31Å; L232-P392 WeakPolarHBondContact O-CG 3.39Å; P278-P392 WeakPolarHBondContact CD-O 3.47Å; T282-P392 WeakPolarHBondContact O-CB 3.34Å; T282-P392 WeakPolarHBondContact O-CG 3.29Å; Q283-P392 HydrophobicContact CG-CG 4.03Å; P392-I411 VanDerWaalsContact CA-O 3.25Å; P392-I411 WeakPolarHBondContact CA-O 3.5Å; P392-L412 HydrophobicContact CB-CD2 3.74Å; P392-L412 HydrophobicContact CG-CD2 4.38Å
393	F	98.7	Very high	95.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	161.5	-172.4	66.4	-83.2	0	0	0	111.9	F230 F275 F276 L277 P314 I316 V389 R391 L395 I411	F230-F393 HydrophobicContact CE2-CD1 4.34Å; F230-F393 HydrophobicContact CE2-CE1 4.14Å; F230-F393 HydrophobicContact CZ-CD1 4.38Å; F230-F393 HydrophobicContact CZ-CE1 4.39Å; F275-F393 AromaticContact CD1-CD2 3.89Å; F275-F393 HydrophobicContact CD1-CD2 3.89Å; F275-F393 AromaticContact CD1-CE2 3.79Å; F275-F393 HydrophobicContact CD1-CE2 3.79Å; F275-F393 HydrophobicContact CE1-CE2 4.01Å; F276-F393 WeakPolarHBondContact O-CA 3.38Å; F276-F393 WeakPolarHBondContact O-CB 3.4Å; L277-F393 HydrophobicContact CD1-CB 4.14Å; P314-F393 HydrophobicContact CG-CE1 4.16Å; P314-F393 HydrophobicContact CG-CZ 4.27Å; I316-F393 HydrophobicContact CD1-CE2 4.09Å; I316-F393 HydrophobicContact CD1-CZ 3.77Å; V389-F393 HydrophobicContact CG1-CB 4.24Å; V389-F393 HydrophobicContact CG1-CD1 3.36Å; V389-F393 HydrophobicContact CG1-CD2 3.98Å; V389-F393 HydrophobicContact CG1-CE1 3.53Å; V389-F393 HydrophobicContact CG1-CE2 4.13Å; V389-F393 HydrophobicContact CG1-CG 3.6Å; V389-F393 HydrophobicContact CG1-CZ 3.92Å; R391-F393 WeakPolarHBondContact O-CD1 3.07Å; R391-F393 PolarHBondContact O-N 2.83Å; F393-L395 HydrophobicContact CE2-CB 4.24Å; F393-I411 HydrophobicContact CD1-CB 4.08Å; F393-I411 HydrophobicContact CD1-CG2 4.38Å; F393-I411 HydrophobicContact CD2-CD1 4.25Å; F393-I411 HydrophobicContact CE1-CB 3.61Å; F393-I411 HydrophobicContact CE1-CG1 4.32Å; F393-I411 HydrophobicContact CE1-CG2 3.6Å; F393-I411 HydrophobicContact CE2-CB 4.14Å; F393-I411 HydrophobicContact CE2-CD1 3.72Å; F393-I411 HydrophobicContact CE2-CG1 4.09Å; F393-I411 HydrophobicContact CZ-CB 3.64Å; F393-I411 HydrophobicContact CZ-CD1 4Å; F393-I411 HydrophobicContact CZ-CG1 3.82Å; F393-I411 HydrophobicContact CZ-CG2 3.85Å; F393-I411 PolarHBondContact N-O 2.92Å; F393-I411 VanDerWaalsContact N-O 3.12Å; F393-I411 PolarHBondContact O-N 2.79Å
394	L	98.8	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	145.4	167	-55	-175.5	0	0	0	111.2	Y65 F275 F276 L285 I288 E289 L292 G409 K410	Y65-L394 WeakPolarHBondContact OH-CD2 3.48Å; F275-L394 WeakPolarHBondContact CA-O 3.34Å; F276-L394 HydrophobicContact CB-CB 4.14Å; F276-L394 HydrophobicContact CD2-CB 4.26Å; F276-L394 PolarHBondContact N-O 2.92Å; F276-L394 PolarHBondContact O-N 2.79Å; L285-L394 HydrophobicContact CB-CD2 4.35Å; L285-L394 HydrophobicContact CB-CG 4.42Å; L285-L394 HydrophobicContact CD1-CD2 3.41Å; L285-L394 VanDerWaalsContact CD1-CD2 3.41Å; L285-L394 HydrophobicContact CD1-CG 3.86Å; L285-L394 HydrophobicContact CG-CD2 4.49Å; I288-L394 HydrophobicContact CB-CD1 4.03Å; I288-L394 HydrophobicContact CG2-CD1 3.65Å; E289-L394 HydrophobicContact CG-CD1 3.73Å; E289-L394 HydrophobicContact CG-CD2 4.43Å; L292-L394 HydrophobicContact CD1-CD1 3.99Å; L394-G409 CarbonylContact C-O 3.56Å; L394-G409 VanDerWaalsContact CA-O 3.3Å; L394-G409 WeakPolarHBondContact CA-O 3.13Å; L394-K410 HydrophobicContact CD2-CB 3.87Å; L394-K410 HydrophobicContact CD2-CG 4.06Å
395	L	98.6	Very high	97.8	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.1	175.1	171.5	59.6	0	0	0	109.6	A273 T274 F275 I316 L361 L363 F393 L397 I408 G409 I411	A273-L395 HydrophobicContact CB-CD1 4.11Å; T274-L395 WeakPolarHBondContact O-CA 3.5Å; F275-L395 HydrophobicContact CD1-CD1 3.97Å; F275-L395 HydrophobicContact CE1-CD1 3.6Å; F275-L395 HydrophobicContact CE1-CD2 4.45Å; F275-L395 HydrophobicContact CE1-CG 4.44Å; F275-L395 HydrophobicContact CE2-CD1 4.3Å; F275-L395 HydrophobicContact CG-CD1 4.47Å; F275-L395 HydrophobicContact CZ-CD1 3.78Å; I316-L395 HydrophobicContact CD1-CD2 4.17Å; L361-L395 HydrophobicContact CD2-CD2 3.57Å; L363-L395 HydrophobicContact CD1-CD2 3.95Å; F393-L395 HydrophobicContact CE2-CB 4.24Å; L395-L397 HydrophobicContact CD1-CD2 3.91Å; L395-L397 HydrophobicContact CG-CD2 4.39Å; L395-I408 CarbonylContact O-C 3.6Å; L395-I408 VanDerWaalsContact O-CA 3.3Å; L395-I408 WeakPolarHBondContact O-CA 3.06Å; L395-G409 PolarHBondContact N-O 3.17Å; L395-G409 PolarHBondContact O-N 2.9Å; L395-I411 HydrophobicContact CB-CD1 3.94Å
396	V	98.8	Very high	98.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.7	170.8	172.3	0	0	0	0	108.9	Y62 T274 F276 V297 L405 I408	Y62-V396 HydrophobicContact CE1-CG2 4.49Å; T274-V396 PolarHBondContact N-O 3.46Å; T274-V396 PolarHBondContact O-N 3.29Å; F276-V396 HydrophobicContact CE2-CB 4.43Å; F276-V396 HydrophobicContact CE2-CG2 4Å; V297-V396 HydrophobicContact CG1-CG1 4.49Å; V396-L405 HydrophobicContact CG1-CD1 3.7Å; V396-I408 HydrophobicContact CG2-CD1 4.29Å; V396-I408 HydrophobicContact CG2-CG1 4.31Å
397	L	98.6	Very high	98.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.8	166.7	-58.5	-169.6	0	0	0	109.3	F212 L267 S272 A273 L361 L395 L406 F407	F212-L397 HydrophobicContact CD1-CD1 3.54Å; F212-L397 HydrophobicContact CE1-CD1 3.65Å; F212-L397 HydrophobicContact CG-CD1 4.09Å; F212-L397 HydrophobicContact CZ-CD1 4.29Å; L267-L397 HydrophobicContact CD1-CD2 4.05Å; S272-L397 WeakPolarHBondContact O-CA 3.48Å; A273-L397 HydrophobicContact CB-CD2 3.44Å; A273-L397 VanDerWaalsContact CB-CD2 3.44Å; L361-L397 HydrophobicContact CD1-CD1 3.61Å; L395-L397 HydrophobicContact CD1-CD2 3.91Å; L395-L397 HydrophobicContact CG-CD2 4.39Å; L397-L406 HydrophobicContact CB-CB 4.32Å; L397-L406 WeakPolarHBondContact O-CB 3.39Å; L397-L406 PolarHBondContact O-N 2.93Å; L397-F407 HydrophobicContact CB-CB 4.03Å; L397-F407 HydrophobicContact CD1-CB 4.05Å; L397-F407 HydrophobicContact CD1-CD2 4.4Å; L397-F407 HydrophobicContact CD1-CG 4.41Å; L397-F407 HydrophobicContact CG-CB 4.05Å; L397-F407 PolarHBondContact N-O 2.9Å; L397-F407 PolarHBondContact O-N 3.02Å
398	R	98.2	Very high	98.3	Very high	6 Å²	6	13.2 Å²	13.2	2%	0.023	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.7	-175.1	178.2	175.5	166.1	149.2	3.4	110.6	V271 S272 V297 H298 T404	V271-R398 WeakPolarHBondContact CA-O 3.36Å; V271-R398 WeakPolarHBondContact CG1-O 3.1Å; S272-R398 PolarHBondContact N-O 3.49Å; S272-R398 PolarHBondContact O-N 2.9Å; V297-R398 VanDerWaalsContact C-NH1 3.29Å; V297-R398 PolarHBondContact O-NH1 3.01Å; H298-R398 PolarHBondContact ND1-NH2 3.16Å; R398-T404 WeakPolarHBondContact CA-O 3.22Å
399	D	98.1	Very high	98.3	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	119.8	166.6	-177.6	68.5	0	0	0	110.2	K133 T401 T402 G403 T404 L406	K133-D399 WeakPolarHBondContact CD-OD1 3.4Å; K133-D399 WeakPolarHBondContact CE-OD1 3.5Å; K133-D399 VanDerWaalsContact NZ-CG 3.32Å; K133-D399 IonicContact NZ-OD1 2.79Å; K133-D399 PolarHBondContact NZ-OD1 2.83Å; K133-D399 IonicContact NZ-OD2 3.49Å; K133-D399 PolarHBondContact NZ-OD2 3.37Å; D399-T401 VanDerWaalsContact C-N 3.28Å; D399-T401 PolarHBondContact O-N 3.32Å; D399-T401 PolarHBondContact OD2-N 2.85Å; D399-T402 WeakPolarHBondContact OD2-CB 2.72Å; D399-T402 WeakPolarHBondContact OD2-CG2 3.45Å; D399-T402 PolarHBondContact OD2-N 3.1Å; D399-T402 PolarHBondContact OD2-OG1 3.49Å; D399-G403 WeakPolarHBondContact O-CA 3.23Å; D399-G403 PolarHBondContact O-N 3.4Å; D399-T404 PolarHBondContact N-O 3.27Å; D399-L406 HydrophobicContact CB-CD1 4.31Å; D399-L406 HydrophobicContact CB-CD2 4.19Å; D399-L406 HydrophobicContact CB-CG 4.33Å
400	D	96.9	Very high	98.3	Very high	67 Å²	67	11.3 Å²	11.3	36%	0.358	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-26	-172.9	-59.2	-24.6	0	0	0	111.9	G270 V271 S272	G270-D400 WeakPolarHBondContact O-CB 3.23Å; G270-D400 PolarHBondContact O-N 2.95Å; V271-D400 PolarHBondContact N-OD2 2.91Å; S272-D400 WeakPolarHBondContact CB-OD1 3.23Å; S272-D400 PolarHBondContact N-OD1 2.83Å; S272-D400 PolarHBondContact OG-OD1 2.9Å
401	T	96.7	Very high	98.3	Very high	86 Å²	86	9.5 Å²	9.5	53%	0.528	5%	0.053	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-47.3	-179.1	-53.7	0	0	0	0	112.3	D399	D399-T401 VanDerWaalsContact C-N 3.28Å; D399-T401 PolarHBondContact O-N 3.32Å; D399-T401 PolarHBondContact OD2-N 2.85Å
402	T	97.7	Very high	98.3	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.018	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-18.3	-172.8	62.2	0	0	0	0	113.6	V50 N51 A54 L124 S127 D399 T404	V50-T402 HydrophobicContact CG1-CG2 3.91Å; N51-T402 WeakPolarHBondContact OD1-CA 3.2Å; A54-T402 VanDerWaalsContact CB-O 3.25Å; A54-T402 WeakPolarHBondContact CB-O 3.46Å; L124-T402 HydrophobicContact CD1-CG2 4.1Å; S127-T402 WeakPolarHBondContact OG-CG2 3.44Å; D399-T402 WeakPolarHBondContact OD2-CB 2.72Å; D399-T402 WeakPolarHBondContact OD2-CG2 3.45Å; D399-T402 PolarHBondContact OD2-N 3.1Å; D399-T402 PolarHBondContact OD2-OG1 3.49Å; T402-T404 VanDerWaalsContact C-N 3.29Å; T402-T404 PolarHBondContact OG1-N 2.98Å; T402-T404 PolarHBondContact OG1-OG1 2.66Å
403	G	97.8	Very high	98.2	Very high	4 Å²	4	10.3 Å²	10.3	4%	0.041	6%	0.059	C	C	.	.			trans	80.3	9.2	-173.7	0	0	0	0	0	114.2	D399 L405	D399-G403 WeakPolarHBondContact O-CA 3.23Å; D399-G403 PolarHBondContact O-N 3.4Å; G403-L405 PolarHBondContact O-N 3.4Å
404	T	98.6	Very high	98	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.062	C	C	.	.			trans	-64.4	132.3	-177.7	-55.5	0	0	0	0	111.9	A54 F82 L124 V128 R398 D399 T402 L406	A54-T404 WeakPolarHBondContact CB-OG1 3.35Å; F82-T404 HydrophobicContact CD2-CG2 3.66Å; F82-T404 HydrophobicContact CE2-CG2 4.11Å; F82-T404 HydrophobicContact CG-CG2 4.19Å; L124-T404 WeakPolarHBondContact CD1-OG1 3.41Å; V128-T404 HydrophobicContact CG2-CG2 4.07Å; V128-T404 WeakPolarHBondContact CG2-OG1 3.49Å; R398-T404 WeakPolarHBondContact CA-O 3.22Å; D399-T404 PolarHBondContact N-O 3.27Å; T402-T404 VanDerWaalsContact C-N 3.29Å; T402-T404 PolarHBondContact OG1-N 2.98Å; T402-T404 PolarHBondContact OG1-OG1 2.66Å; T404-L406 HydrophobicContact CG2-CD2 3.99Å; T404-L406 PolarHBondContact O-N 2.94Å
405	L	98.8	Very high	97.7	Very high	2 Å²	2	17 Å²	17	1%	0.01	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	107.4	167.4	178.5	63.2	0	0	0	110.5	S58 Y62 P81 V396 G403 F407 I408	S58-L405 WeakPolarHBondContact OG-CB 3.36Å; S58-L405 PolarHBondContact OG-N 3.27Å; Y62-L405 HydrophobicContact CD1-CD2 3.78Å; Y62-L405 HydrophobicContact CD2-CD2 4.5Å; Y62-L405 HydrophobicContact CE1-CD1 3.89Å; Y62-L405 HydrophobicContact CE1-CD2 3.61Å; Y62-L405 HydrophobicContact CE1-CG 4.3Å; Y62-L405 HydrophobicContact CE2-CD2 4.35Å; Y62-L405 HydrophobicContact CG-CD2 4.22Å; P81-L405 HydrophobicContact CG-CD2 4Å; V396-L405 HydrophobicContact CG1-CD1 3.7Å; G403-L405 PolarHBondContact O-N 3.4Å; L405-F407 WeakPolarHBondContact CD1-O 3.13Å; L405-I408 HydrophobicContact CD1-CB 4.17Å; L405-I408 HydrophobicContact CD2-CB 4.43Å; L405-I408 HydrophobicContact CD2-CG2 4.3Å
406	L	98.3	Very high	96.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-47.7	-179.6	-54.3	-172.7	0	0	0	111	S80 V128 L135 V271 L397 D399 T404	S80-L406 WeakPolarHBondContact CA-O 3.39Å; S80-L406 VanDerWaalsContact CB-O 3.32Å; S80-L406 WeakPolarHBondContact CB-O 3.41Å; S80-L406 PolarHBondContact OG-O 2.81Å; V128-L406 HydrophobicContact CG1-CD2 3.53Å; L135-L406 HydrophobicContact CD2-CD2 4.02Å; V271-L406 HydrophobicContact CG1-CD1 3.99Å; V271-L406 HydrophobicContact CG2-CD1 3.9Å; L397-L406 HydrophobicContact CB-CB 4.32Å; L397-L406 WeakPolarHBondContact O-CB 3.39Å; L397-L406 PolarHBondContact O-N 2.93Å; D399-L406 HydrophobicContact CB-CD1 4.31Å; D399-L406 HydrophobicContact CB-CD2 4.19Å; D399-L406 HydrophobicContact CB-CG 4.33Å; T404-L406 HydrophobicContact CG2-CD2 3.99Å; T404-L406 PolarHBondContact O-N 2.94Å
407	F	98.6	Very high	94.4	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.4	176.8	-80.4	-105.7	0	0	0	110.2	L78 L79 L135 A210 F212 A359 L361 L397 L405	L78-F407 HydrophobicContact CD1-CD1 3.97Å; L78-F407 HydrophobicContact CD2-CD1 4.38Å; L78-F407 HydrophobicContact CD2-CE1 4.37Å; L78-F407 HydrophobicContact CG-CD1 4.2Å; L79-F407 CarbonylContact O-C 3.21Å; L79-F407 VanDerWaalsContact O-CA 3.29Å; L79-F407 WeakPolarHBondContact O-CA 3.37Å; L135-F407 HydrophobicContact CD1-CD2 4.43Å; L135-F407 HydrophobicContact CD1-CE2 3.65Å; A210-F407 HydrophobicContact CB-CE2 4.06Å; A210-F407 HydrophobicContact CB-CZ 3.65Å; F212-F407 HydrophobicContact CB-CD2 3.96Å; F212-F407 HydrophobicContact CB-CE2 3.43Å; F212-F407 VanDerWaalsContact CB-CE2 3.43Å; F212-F407 HydrophobicContact CB-CZ 3.82Å; F212-F407 HydrophobicContact CG-CE2 4.38Å; A359-F407 HydrophobicContact CB-CE1 3.88Å; L361-F407 HydrophobicContact CB-CD1 4.28Å; L361-F407 HydrophobicContact CB-CE1 4.28Å; L397-F407 HydrophobicContact CB-CB 4.03Å; L397-F407 HydrophobicContact CD1-CB 4.05Å; L397-F407 HydrophobicContact CD1-CD2 4.4Å; L397-F407 HydrophobicContact CD1-CG 4.41Å; L397-F407 HydrophobicContact CG-CB 4.05Å; L397-F407 PolarHBondContact N-O 2.9Å; L397-F407 PolarHBondContact O-N 3.02Å; L405-F407 WeakPolarHBondContact CD1-O 3.13Å
408	I	98.8	Very high	94.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.8	167.6	-177.3	161.2	0	0	0	109.3	Y62 Y65 L78 L79 P81 L292 L395 V396 L405	Y62-I408 HydrophobicContact CD1-CD1 3.74Å; Y62-I408 HydrophobicContact CE1-CD1 3.95Å; Y65-I408 HydrophobicContact CD1-CD1 3.38Å; Y65-I408 HydrophobicContact CD1-CG1 4.14Å; Y65-I408 HydrophobicContact CD2-CB 4.39Å; Y65-I408 HydrophobicContact CD2-CD1 3.96Å; Y65-I408 HydrophobicContact CD2-CG1 3.81Å; Y65-I408 HydrophobicContact CD2-CG2 3.76Å; Y65-I408 HydrophobicContact CE1-CD1 3.64Å; Y65-I408 HydrophobicContact CE1-CG1 4.21Å; Y65-I408 HydrophobicContact CE2-CD1 4.19Å; Y65-I408 HydrophobicContact CE2-CG1 3.89Å; Y65-I408 HydrophobicContact CG-CD1 3.53Å; Y65-I408 HydrophobicContact CG-CG1 3.92Å; Y65-I408 HydrophobicContact CG-CG2 3.88Å; L78-I408 WeakPolarHBondContact CA-O 3.11Å; L79-I408 HydrophobicContact CB-CG2 4.06Å; L79-I408 PolarHBondContact N-O 2.85Å; L79-I408 PolarHBondContact O-N 2.99Å; P81-I408 HydrophobicContact CG-CG2 4.14Å; L292-I408 HydrophobicContact CD1-CD1 3.63Å; L395-I408 CarbonylContact O-C 3.6Å; L395-I408 VanDerWaalsContact O-CA 3.3Å; L395-I408 WeakPolarHBondContact O-CA 3.06Å; V396-I408 HydrophobicContact CG2-CD1 4.29Å; V396-I408 HydrophobicContact CG2-CG1 4.31Å; L405-I408 HydrophobicContact CD1-CB 4.17Å; L405-I408 HydrophobicContact CD2-CB 4.43Å; L405-I408 HydrophobicContact CD2-CG2 4.3Å
409	G	98.2	Very high	93.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	138.6	-179.8	0	0	0	0	0	113.6	V77 L394 L395	V77-G409 CarbonylContact O-C 3.52Å; V77-G409 WeakPolarHBondContact O-CA 3.32Å; L394-G409 CarbonylContact C-O 3.56Å; L394-G409 VanDerWaalsContact CA-O 3.3Å; L394-G409 WeakPolarHBondContact CA-O 3.13Å; L395-G409 PolarHBondContact N-O 3.17Å; L395-G409 PolarHBondContact O-N 2.9Å
410	K	98.4	Very high	93.7	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.03	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.2	159	-180	171	70.9	-178.5	0	108.2	Y65 S69 T72 A75 N76 V77 L285 L394 L412	Y65-K410 HydrophobicContact CE2-CB 4.33Å; S69-K410 PolarHBondContact O-NZ 3.46Å; S69-K410 VanDerWaalsContact OG-CE 3.31Å; S69-K410 WeakPolarHBondContact OG-CE 3.48Å; S69-K410 PolarHBondContact OG-NZ 3.3Å; T72-K410 PolarHBondContact O-NZ 2.74Å; A75-K410 WeakPolarHBondContact O-CE 3.29Å; N76-K410 WeakPolarHBondContact CA-O 3.42Å; V77-K410 HydrophobicContact CB-CB 4.23Å; V77-K410 PolarHBondContact N-O 3.44Å; V77-K410 PolarHBondContact O-N 2.91Å; L285-K410 HydrophobicContact CD1-CD 4.27Å; L285-K410 HydrophobicContact CD1-CG 3.96Å; L394-K410 HydrophobicContact CD2-CB 3.87Å; L394-K410 HydrophobicContact CD2-CG 4.06Å; K410-L412 HydrophobicContact CD-CD2 4.05Å; K410-L412 HydrophobicContact CD-CG 4.42Å; K410-L412 HydrophobicContact CG-CD2 3.83Å; K410-L412 HydrophobicContact CG-CG 4.16Å
411	I	98.4	Very high	93.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	105.8	-179.4	-60	80.6	0	0	0	108.1	L318 P392 F393 L395 P414	L318-I411 HydrophobicContact CD1-CD1 4.49Å; L318-I411 HydrophobicContact CD1-CG1 3.93Å; P392-I411 VanDerWaalsContact CA-O 3.25Å; P392-I411 WeakPolarHBondContact CA-O 3.5Å; F393-I411 HydrophobicContact CD1-CB 4.08Å; F393-I411 HydrophobicContact CD1-CG2 4.38Å; F393-I411 HydrophobicContact CD2-CD1 4.25Å; F393-I411 HydrophobicContact CE1-CB 3.61Å; F393-I411 HydrophobicContact CE1-CG1 4.32Å; F393-I411 HydrophobicContact CE1-CG2 3.6Å; F393-I411 HydrophobicContact CE2-CB 4.14Å; F393-I411 HydrophobicContact CE2-CD1 3.72Å; F393-I411 HydrophobicContact CE2-CG1 4.09Å; F393-I411 HydrophobicContact CZ-CB 3.64Å; F393-I411 HydrophobicContact CZ-CD1 4Å; F393-I411 HydrophobicContact CZ-CG1 3.82Å; F393-I411 HydrophobicContact CZ-CG2 3.85Å; F393-I411 PolarHBondContact N-O 2.92Å; F393-I411 VanDerWaalsContact N-O 3.12Å; F393-I411 PolarHBondContact O-N 2.79Å; L395-I411 HydrophobicContact CB-CD1 3.94Å; I411-P414 HydrophobicContact CG2-CB 4.13Å
412	L	98	Very high	93.3	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.026	12%	0.124	C	C	.	.	S	Bend	trans	-95.5	-29.8	173.2	-52.8	-173.8	0	0	0	111.7	A73 N76 F230 L232 Q283 P392 K410	A73-L412 WeakPolarHBondContact O-CD1 3.36Å; N76-L412 PolarHBondContact OD1-N 2.96Å; F230-L412 WeakPolarHBondContact CE1-O 3.43Å; L232-L412 WeakPolarHBondContact CD2-O 3.47Å; Q283-L412 HydrophobicContact CB-CD2 4.22Å; Q283-L412 HydrophobicContact CG-CD2 4.29Å; P392-L412 HydrophobicContact CB-CD2 3.74Å; P392-L412 HydrophobicContact CG-CD2 4.38Å; K410-L412 HydrophobicContact CD-CD2 4.05Å; K410-L412 HydrophobicContact CD-CG 4.42Å; K410-L412 HydrophobicContact CG-CD2 3.83Å; K410-L412 HydrophobicContact CG-CG 4.16Å
413	D	97	Very high	93	Very high	32 Å²	32	26 Å²	26	17%	0.171	13%	0.131	C	C	.	.			trans	-143.1	110.5	175.4	-173.8	-16.9	0	0	0	110.6	N76 L232 R415 S416	N76-D413 PolarHBondContact ND2-O 2.97Å; N76-D413 PolarHBondContact OD1-N 3.01Å; L232-D413 HydrophobicContact CD2-CB 3.75Å; D413-R415 PolarHBondContact O-N 3.36Å; D413-R415 VanDerWaalsContact OD1-CB 3.26Å; D413-R415 WeakPolarHBondContact OD1-CB 3.33Å; D413-R415 VanDerWaalsContact OD1-CG 3.31Å; D413-R415 WeakPolarHBondContact OD1-CG 3.48Å; D413-R415 IonicContact OD1-CZ 3.8Å; D413-R415 PolarHBondContact OD1-N 3.49Å; D413-R415 IonicContact OD1-NE 3.75Å; D413-R415 PolarHBondContact OD1-NE 3.04Å; D413-R415 IonicContact OD1-NH2 3Å; D413-R415 IonicContact OD2-CZ 3.12Å; D413-R415 IonicContact OD2-NE 2.75Å; D413-R415 PolarHBondContact OD2-NE 3.23Å; D413-R415 IonicContact OD2-NH2 2.69Å; D413-R415 PolarHBondContact OD2-NH2 3.44Å; D413-S416 PolarHBondContact O-OG 3.05Å
414	P	94.6	Very high	92.7	Very high	12 Å²	12	27.6 Å²	27.6	8%	0.078	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-2.9	-176.9	32.6	-37.5	0	0	0	113.9	F230 V240 P314 I411	F230-P414 HydrophobicContact CD1-CG 4.37Å; F230-P414 HydrophobicContact CD2-CG 3.87Å; F230-P414 HydrophobicContact CE1-CG 4.49Å; F230-P414 HydrophobicContact CE2-CG 3.99Å; F230-P414 HydrophobicContact CG-CG 4.07Å; F230-P414 HydrophobicContact CZ-CG 4.3Å; V240-P414 HydrophobicContact CB-CG 4.16Å; V240-P414 HydrophobicContact CG1-CG 3.57Å; V240-P414 HydrophobicContact CG2-CG 4.37Å; P314-P414 HydrophobicContact CB-CB 4.01Å; P314-P414 HydrophobicContact CB-CG 4.16Å; P314-P414 HydrophobicContact CG-CB 4.25Å; I411-P414 HydrophobicContact CG2-CB 4.13Å
415	R	92.7	Very high	92.2	Very high	130 Å²	130	29.7 Å²	29.7	49%	0.491	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-21.4	177.4	-55.8	173.2	-61.3	165.5	7.2	113.2	V238 V240 D413 I417	V238-R415 VanDerWaalsContact CG1-NH1 3.31Å; V240-R415 HydrophobicContact CG1-CG 3.7Å; D413-R415 PolarHBondContact O-N 3.36Å; D413-R415 VanDerWaalsContact OD1-CB 3.26Å; D413-R415 WeakPolarHBondContact OD1-CB 3.33Å; D413-R415 VanDerWaalsContact OD1-CG 3.31Å; D413-R415 WeakPolarHBondContact OD1-CG 3.48Å; D413-R415 IonicContact OD1-CZ 3.8Å; D413-R415 PolarHBondContact OD1-N 3.49Å; D413-R415 IonicContact OD1-NE 3.75Å; D413-R415 PolarHBondContact OD1-NE 3.04Å; D413-R415 IonicContact OD1-NH2 3Å; D413-R415 IonicContact OD2-CZ 3.12Å; D413-R415 IonicContact OD2-NE 2.75Å; D413-R415 PolarHBondContact OD2-NE 3.23Å; D413-R415 IonicContact OD2-NH2 2.69Å; D413-R415 PolarHBondContact OD2-NH2 3.44Å; R415-I417 PolarHBondContact O-N 3.33Å
416	S	72.5	Confident	91.7	Very high	54 Å²	54	32 Å²	32	38%	0.378	16%	0.16	S	C	.	.			trans	-70.5	114.3	-176	65.8	0	0	0	0	109.8	N76 L318 D413	N76-S416 PolarHBondContact ND2-OG 3Å; L318-S416 WeakPolarHBondContact CD2-O 3.46Å; D413-S416 PolarHBondContact O-OG 3.05Å
417	I	54.7	Low	91.1	Very high	141 Å²	141	34.9 Å²	34.9	72%	0.723	17%	0.174	S	C	*	.			trans	-89.7	0	179.7	-64.8	171.7	0	0	0	110.4	N319 R415	N319-I417 VanDerWaalsContact CB-OXT 3.23Å; N319-I417 WeakPolarHBondContact CB-OXT 3.48Å; N319-I417 PolarHBondContact N-OXT 3.22Å; R415-I417 PolarHBondContact O-N 3.33Å

Retrieved 417 of 417 residues in 74 ms (Link to these results)

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