A0A096MKT5_PAPAN Loading...

Cell division cycle 7-related protein kinase

Kinase involved in initiation of DNA replication. Phosphorylates critical substrates that regulate the G1/S phase transition and initiation of DNA replication, such as MCM proteins and CLASPIN.

AlphaFold DB , UniProt , Accession A0A096MKT5, Species PAPAN (Papio anubis, Olive baboon), Gene CDC7, Length 574 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	32.2	Very low	30.3	Very low	233 Å²	233	161.4 Å²	161.4	100%	1.148	89%	0.887	S	S	*	*				0	71.1	0	-51.8	177.6	-154.2	0	0	105.2
2	E	33.4	Very low	30.7	Very low	194 Å²	194	156.8 Å²	156.8	91%	0.907	87%	0.87	S	S	*	*				99.8	119.5	78.1	-89.6	-171.8	143.2	0	0	108.9
3	A	27.3	Very low	30.6	Very low	95 Å²	95	159.5 Å²	159.5	79%	0.785	88%	0.876	S	S	*	*			trans	-100.9	146.2	177.9	0	0	0	0	0	109
4	S	30.9	Very low	30.6	Very low	128 Å²	128	154.9 Å²	154.9	90%	0.895	87%	0.87	S	S	*	*			trans	-121.7	112.3	166.5	-70.4	0	0	0	0	108.6
5	L	32.8	Very low	30.5	Very low	168 Å²	168	158.9 Å²	158.9	88%	0.88	88%	0.875	S	S	*	*			trans	-90	133.2	177.4	-75	162.1	0	0	0	109.7
6	G	28.2	Very low	30.5	Very low	78 Å²	78	155.5 Å²	155.5	80%	0.804	87%	0.866	S	S	*	*			trans	-78.6	144.4	166.4	0	0	0	0	0	111
7	I	33	Very low	30.6	Very low	162 Å²	162	154.1 Å²	154.1	83%	0.831	87%	0.865	S	S	*	*			trans	-128.7	130.2	167.8	-62.1	-179.2	0	0	0	108.1
8	Q	28.7	Very low	30.8	Very low	186 Å²	186	155.9 Å²	155.9	87%	0.869	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-98	138.9	-179.8	-169	171.1	-4.7	0	0	108.1
9	M	28.7	Very low	31.1	Very low	183 Å²	183	160 Å²	160	90%	0.901	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-102.9	131.9	-179.1	-64.1	-167.5	76.7	0	0	111.6
10	D	28	Very low	31.4	Very low	164 Å²	164	158.5 Å²	158.5	88%	0.877	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-96.4	146.6	175.1	-87.8	-37.9	0	0	0	112.2
11	E	30	Very low	31.5	Very low	184 Å²	184	161.8 Å²	161.8	86%	0.86	86%	0.858	S	S	*	*			trans	-163.2	159.5	159.3	-124.5	-153.1	159.8	0	0	110.3
12	P	35.4	Very low	31.6	Very low	106 Å²	106	155.7 Å²	155.7	69%	0.688	84%	0.838	S	S	*	*				-120.7	167.7	-64.1	28.4	-11.7	0	0	0	113.5
13	M	29.4	Very low	31.7	Very low	192 Å²	192	153.7 Å²	153.7	95%	0.946	83%	0.829	S	S	*	*			trans	-70.1	142.1	178.4	-72.2	-166.7	-176.6	0	0	114.3
14	A	29.9	Very low	32.2	Very low	95 Å²	95	151.6 Å²	151.6	79%	0.785	81%	0.812	S	S	*	*			trans	-107.5	127.9	167.2	0	0	0	0	0	112.1
15	F	29.5	Very low	32.4	Very low	215 Å²	215	151.9 Å²	151.9	94%	0.943	80%	0.799	S	S	*	*			trans	-65.3	141.5	174.4	-91.1	-103.1	0	0	0	112.2
16	S	30.1	Very low	32.6	Very low	105 Å²	105	146 Å²	146	73%	0.734	78%	0.778	S	S	*	*			trans	-126.4	120.4	177.4	46.3	0	0	0	0	112.4	Q18	S16-Q18 PolarHBondContact O-N 3.39Å
17	P	33.2	Very low	33.1	Very low	131 Å²	131	145.4 Å²	145.4	85%	0.851	76%	0.762	S	S	*	*			trans	-93.9	92.6	174.2	33.7	-29.9	0	0	0	110.9
18	Q	34.3	Very low	33.5	Very low	187 Å²	187	143.2 Å²	143.2	87%	0.874	75%	0.751	S	S	*	*			trans	-129	54.2	173.6	-87.3	-161.5	-15.9	0	0	113.7	S16	S16-Q18 PolarHBondContact O-N 3.39Å
19	R	35.9	Very low	34.1	Very low	234 Å²	234	141.4 Å²	141.4	88%	0.883	74%	0.741	S	S	*	*	S	Bend	trans	-144.3	96.5	157	-66.7	-171.7	-173.4	175.9	3.7	108.8
20	D	36.4	Very low	34.7	Very low	129 Å²	129	139.5 Å²	139.5	69%	0.69	73%	0.727	S	S	*	*	S	Bend	trans	179.6	-20.5	159.3	-100.2	-17.5	0	0	0	114.2	S22	D20-S22 VanDerWaalsContact C-N 3.3Å; D20-S22 PolarHBondContact O-N 3.22Å
21	R	33.9	Very low	35.2	Very low	229 Å²	229	135.4 Å²	135.4	86%	0.864	71%	0.706	S	S	*	*	H	α-helix	trans	-67.6	-21.8	-178.8	-87.3	-173.4	171.4	179.6	-1.7	115.5
22	S	34.5	Very low	35.9	Very low	105 Å²	105	132.5 Å²	132.5	73%	0.734	69%	0.692	S	S	*	*	H	α-helix	trans	-82.1	-22.6	-178.7	48.9	0	0	0	0	114.5	D20	D20-S22 VanDerWaalsContact C-N 3.3Å; D20-S22 PolarHBondContact O-N 3.22Å
23	Q	36.1	Very low	36.6	Very low	151 Å²	151	133.6 Å²	133.6	71%	0.706	69%	0.688	S	S	*	*	H	α-helix	trans	-82.5	-31.8	174.4	-70.4	-168.9	-1.4	0	0	112.4	G26 S27	Q23-G26 PolarHBondContact O-N 3.41Å; Q23-S27 WeakPolarHBondContact O-CB 3.46Å; Q23-S27 PolarHBondContact O-N 3.18Å
24	A	37.2	Very low	37.5	Very low	52 Å²	52	128.8 Å²	128.8	43%	0.43	67%	0.666	S	S	.	*	H	α-helix	trans	-62.8	-45.6	-178.8	0	0	0	0	0	113.2	S27 L28	A24-S27 PolarHBondContact O-N 2.78Å; A24-L28 WeakPolarHBondContact O-CG 3.32Å; A24-L28 PolarHBondContact O-N 3.47Å
25	E	35.8	Very low	38.9	Very low	133 Å²	133	131.9 Å²	131.9	62%	0.621	66%	0.662	S	S	*	*	H	α-helix	trans	-69	-35.6	179.9	-68	-171.1	164.7	0	0	113	K29	E25-K29 WeakPolarHBondContact O-CG 3.44Å; E25-K29 PolarHBondContact O-N 3.33Å
26	G	35.9	Very low	40.4	Very low	44 Å²	44	128.2 Å²	128.2	45%	0.454	65%	0.646	S	S	.	*	H	α-helix	trans	-65.6	-40.8	172.7	0	0	0	0	0	112.4	Q23 K30	Q23-G26 PolarHBondContact O-N 3.41Å; G26-K30 VanDerWaalsContact O-CB 3.29Å; G26-K30 WeakPolarHBondContact O-CB 3.35Å; G26-K30 PolarHBondContact O-N 3.48Å
27	S	39.4	Very low	42	Very low	66 Å²	66	127.7 Å²	127.7	46%	0.462	63%	0.634	S	S	.	*	H	α-helix	trans	-68.4	-40.3	178.8	-161.6	0	0	0	0	112.4	Q23 A24 K30 N31	Q23-S27 WeakPolarHBondContact O-CB 3.46Å; Q23-S27 PolarHBondContact O-N 3.18Å; A24-S27 PolarHBondContact O-N 2.78Å; S27-K30 PolarHBondContact O-N 3.4Å; S27-N31 WeakPolarHBondContact O-CB 3.46Å; S27-N31 VanDerWaalsContact O-CG 3.29Å; S27-N31 PolarHBondContact O-N 3.45Å; S27-N31 PolarHBondContact O-ND2 2.67Å
28	L	40.3	Very low	44.1	Very low	116 Å²	116	124.2 Å²	124.2	61%	0.607	62%	0.617	S	S	*	*	H	α-helix	trans	-62.1	-48.5	175.2	-77.5	162.7	0	0	0	112.4	A24 K30 N31 E32	A24-L28 WeakPolarHBondContact O-CG 3.32Å; A24-L28 PolarHBondContact O-N 3.47Å; L28-K30 PolarHBondContact O-N 3.37Å; L28-N31 PolarHBondContact O-N 3.1Å; L28-E32 PolarHBondContact O-N 3.29Å
29	K	42.2	Very low	46.6	Very low	149 Å²	149	117 Å²	117	65%	0.648	59%	0.593	S	S	*	*	H	α-helix	trans	-63	-41.6	177.5	-72	176.4	179.5	175.4	0	112	E25 N31 E32 Q33	E25-K29 WeakPolarHBondContact O-CG 3.44Å; E25-K29 PolarHBondContact O-N 3.33Å; K29-N31 VanDerWaalsContact C-N 3.35Å; K29-N31 PolarHBondContact O-N 3.13Å; K29-E32 PolarHBondContact O-N 3.4Å; K29-Q33 WeakPolarHBondContact O-CB 3.24Å; K29-Q33 PolarHBondContact O-N 3.03Å
30	K	41.1	Very low	49.3	Very low	142 Å²	142	107 Å²	107	62%	0.617	56%	0.557	S	S	*	*	H	α-helix	trans	-64.5	-38	176.8	-162.5	172.5	-172	177.3	0	112	G26 S27 L28 N34	G26-K30 VanDerWaalsContact O-CB 3.29Å; G26-K30 WeakPolarHBondContact O-CB 3.35Å; G26-K30 PolarHBondContact O-N 3.48Å; S27-K30 PolarHBondContact O-N 3.4Å; L28-K30 PolarHBondContact O-N 3.37Å; K30-N34 WeakPolarHBondContact O-CB 3.16Å; K30-N34 PolarHBondContact O-N 3.05Å; K30-N34 PolarHBondContact O-ND2 2.87Å
31	N	39.2	Very low	52	Low	79 Å²	79	106.7 Å²	106.7	42%	0.422	55%	0.55	S	S	.	.	H	α-helix	trans	-66	-47.2	173.6	-76.5	-20.5	0	0	0	112.1	S27 L28 K29 Q33 N34 F35	S27-N31 WeakPolarHBondContact O-CB 3.46Å; S27-N31 VanDerWaalsContact O-CG 3.29Å; S27-N31 PolarHBondContact O-N 3.45Å; S27-N31 PolarHBondContact O-ND2 2.67Å; L28-N31 PolarHBondContact O-N 3.1Å; K29-N31 VanDerWaalsContact C-N 3.35Å; K29-N31 PolarHBondContact O-N 3.13Å; N31-Q33 VanDerWaalsContact C-N 3.28Å; N31-Q33 PolarHBondContact O-N 3.02Å; N31-N34 PolarHBondContact O-N 3.01Å; N31-F35 WeakPolarHBondContact O-CD2 3.32Å; N31-F35 PolarHBondContact O-N 3.35Å
32	E	45	Very low	54.8	Low	123 Å²	123	101.7 Å²	101.7	58%	0.575	53%	0.534	S	S	*	.	H	α-helix	trans	-58.4	-39.7	175.7	-74.5	-164.4	164.7	0	0	112.9	L28 K29 F35 K36	L28-E32 PolarHBondContact O-N 3.29Å; K29-E32 PolarHBondContact O-N 3.4Å; E32-F35 PolarHBondContact O-N 3.28Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 3.2Å
33	Q	48.5	Very low	57.7	Low	128 Å²	128	99 Å²	99	60%	0.598	51%	0.512	S	S	*	.	H	α-helix	trans	-68.3	-40.2	178.7	-147.1	166.5	12.9	0	0	111.2	K29 N31 K36 L37	K29-Q33 WeakPolarHBondContact O-CB 3.24Å; K29-Q33 PolarHBondContact O-N 3.03Å; N31-Q33 VanDerWaalsContact C-N 3.28Å; N31-Q33 PolarHBondContact O-N 3.02Å; Q33-K36 PolarHBondContact O-N 3.38Å; Q33-L37 WeakPolarHBondContact O-CB 3.27Å; Q33-L37 PolarHBondContact O-N 3.26Å
34	N	48.3	Very low	60.6	Low	91 Å²	91	92.7 Å²	92.7	49%	0.487	48%	0.482	S	S	.	.	H	α-helix	trans	-64	-42.7	172.4	-73.5	-20.6	0	0	0	112.7	K30 N31 L37 A38	K30-N34 WeakPolarHBondContact O-CB 3.16Å; K30-N34 PolarHBondContact O-N 3.05Å; K30-N34 PolarHBondContact O-ND2 2.87Å; N31-N34 PolarHBondContact O-N 3.01Å; N34-L37 PolarHBondContact O-N 3.34Å; N34-A38 WeakPolarHBondContact O-CB 3.23Å; N34-A38 PolarHBondContact O-N 3.02Å
35	F	60	Low	63.5	Low	161 Å²	161	95.7 Å²	95.7	71%	0.706	49%	0.488	S	S	*	.	H	α-helix	trans	-63.3	-40.5	175.6	-85.2	-69	0	0	0	112.1	N31 E32 G39	N31-F35 WeakPolarHBondContact O-CD2 3.32Å; N31-F35 PolarHBondContact O-N 3.35Å; E32-F35 PolarHBondContact O-N 3.28Å; F35-G39 PolarHBondContact O-N 3.14Å
36	K	60.9	Low	66.4	Low	137 Å²	137	94.3 Å²	94.3	60%	0.596	48%	0.48	S	S	*	.	H	α-helix	trans	-62	-47.7	173.7	-75.1	168.2	-176.8	165.6	0	111.5	E32 Q33 A38 G39 V40	E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 3.2Å; Q33-K36 PolarHBondContact O-N 3.38Å; K36-A38 VanDerWaalsContact C-N 3.33Å; K36-A38 PolarHBondContact O-N 3.15Å; K36-G39 PolarHBondContact O-N 2.86Å; K36-G39 VanDerWaalsContact O-N 3.15Å; K36-V40 PolarHBondContact O-N 2.81Å
37	L	64.4	Low	69.3	Low	95 Å²	95	92.3 Å²	92.3	50%	0.497	46%	0.458	S	S	.	.	H	α-helix	trans	-64.2	-37.1	-179.9	-157.9	76.2	0	0	0	112.2	Q33 N34 K41	Q33-L37 WeakPolarHBondContact O-CB 3.27Å; Q33-L37 PolarHBondContact O-N 3.26Å; N34-L37 PolarHBondContact O-N 3.34Å; L37-K41 WeakPolarHBondContact O-CG 3.45Å; L37-K41 PolarHBondContact O-N 3.44Å; L37-K41 VanDerWaalsContact O-N 3.16Å
38	A	76.9	Confident	72.1	Confident	58 Å²	58	92 Å²	92	48%	0.479	45%	0.448	S	S	.	.	H	α-helix	trans	-65.9	-38.5	173.1	0	0	0	0	0	112.5	N34 K36 K42	N34-A38 WeakPolarHBondContact O-CB 3.23Å; N34-A38 PolarHBondContact O-N 3.02Å; K36-A38 VanDerWaalsContact C-N 3.33Å; K36-A38 PolarHBondContact O-N 3.15Å; A38-K42 PolarHBondContact O-N 2.69Å
39	G	87.4	Confident	74.8	Confident	36 Å²	36	93 Å²	93	37%	0.371	45%	0.449	S	S	.	.	H	α-helix	trans	-61.6	-47.5	174.2	0	0	0	0	0	112.8	F35 K36 K42 D43	F35-G39 PolarHBondContact O-N 3.14Å; K36-G39 PolarHBondContact O-N 2.86Å; K36-G39 VanDerWaalsContact O-N 3.15Å; G39-K42 PolarHBondContact O-N 3.46Å; G39-D43 PolarHBondContact O-N 2.99Å
40	V	91.1	Very high	77.5	Confident	22 Å²	22	86.6 Å²	86.6	13%	0.133	42%	0.424	C	S	.	.	H	α-helix	trans	-62.9	-43.4	179.2	172.9	0	0	0	0	112	K36 K42 D43 I44 D62 K63	K36-V40 PolarHBondContact O-N 2.81Å; V40-K42 VanDerWaalsContact C-N 3.32Å; V40-K42 PolarHBondContact O-N 3.22Å; V40-D43 PolarHBondContact O-N 3.02Å; V40-D43 VanDerWaalsContact O-N 3.16Å; V40-I44 HydrophobicContact CG1-CD1 3.81Å; V40-I44 HydrophobicContact CG1-CG1 4.37Å; V40-I44 WeakPolarHBondContact O-CG1 3.48Å; V40-I44 PolarHBondContact O-N 3.44Å; V40-D62 WeakPolarHBondContact CG1-OD1 3.45Å; V40-K63 HydrophobicContact CG1-CB 3.87Å; V40-K63 HydrophobicContact CG2-CB 4.29Å
41	K	93.1	Very high	80.2	Confident	123 Å²	123	79.8 Å²	79.8	54%	0.535	39%	0.394	S	S	.	.	H	α-helix	trans	-56.5	-45.8	176	-74.2	177.4	179.4	-174.3	0	112	L37 D43 I44 E45	L37-K41 WeakPolarHBondContact O-CG 3.45Å; L37-K41 PolarHBondContact O-N 3.44Å; L37-K41 VanDerWaalsContact O-N 3.16Å; K41-D43 VanDerWaalsContact C-N 3.33Å; K41-D43 PolarHBondContact O-N 3.25Å; K41-I44 PolarHBondContact O-N 3.35Å; K41-E45 WeakPolarHBondContact O-CG 3.37Å; K41-E45 PolarHBondContact O-N 3.27Å
42	K	94.3	Very high	82.9	Confident	124 Å²	124	79.2 Å²	79.2	54%	0.539	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-34	177.7	-171.7	170.5	-172.5	167.7	0	113.2	A38 G39 V40 K46	A38-K42 PolarHBondContact O-N 2.69Å; G39-K42 PolarHBondContact O-N 3.46Å; V40-K42 VanDerWaalsContact C-N 3.32Å; V40-K42 PolarHBondContact O-N 3.22Å; K42-K46 WeakPolarHBondContact O-CD 3.42Å; K42-K46 VanDerWaalsContact O-CG 3.26Å; K42-K46 WeakPolarHBondContact O-CG 3.4Å; K42-K46 PolarHBondContact O-N 3.49Å
43	D	95.1	Very high	85.4	Confident	49 Å²	49	78.3 Å²	78.3	26%	0.262	39%	0.391	S	S	.	.	H	α-helix	trans	-68.6	-37.5	173.4	-85.2	3.9	0	0	0	111.7	G39 V40 K41 L47 K63 Y73	G39-D43 PolarHBondContact O-N 2.99Å; V40-D43 PolarHBondContact O-N 3.02Å; V40-D43 VanDerWaalsContact O-N 3.16Å; K41-D43 VanDerWaalsContact C-N 3.33Å; K41-D43 PolarHBondContact O-N 3.25Å; D43-L47 WeakPolarHBondContact O-CB 3.48Å; D43-L47 PolarHBondContact O-N 3.29Å; D43-L47 VanDerWaalsContact O-N 3.08Å; D43-K63 IonicContact OD2-NZ 3.86Å; D43-K63 PolarHBondContact OD2-NZ 2.92Å; D43-Y73 HydrophobicContact CB-CE1 4.37Å
44	I	96.9	Very high	87.6	Confident	18 Å²	18	72.2 Å²	72.2	9%	0.092	36%	0.362	C	S	.	.	H	α-helix	trans	-68	-45.3	175.7	-67.7	169	0	0	0	111.3	V40 K41 K46 L47 Y48 I60 Y73	V40-I44 HydrophobicContact CG1-CD1 3.81Å; V40-I44 HydrophobicContact CG1-CG1 4.37Å; V40-I44 WeakPolarHBondContact O-CG1 3.48Å; V40-I44 PolarHBondContact O-N 3.44Å; K41-I44 PolarHBondContact O-N 3.35Å; I44-K46 PolarHBondContact O-N 3.47Å; I44-L47 WeakPolarHBondContact O-CB 3.24Å; I44-L47 PolarHBondContact O-N 2.87Å; I44-L47 VanDerWaalsContact O-N 3.11Å; I44-Y48 HydrophobicContact CG2-CD2 3.93Å; I44-Y48 HydrophobicContact CG2-CE2 3.65Å; I44-Y48 WeakPolarHBondContact O-CD2 3.22Å; I44-Y48 PolarHBondContact O-N 3.42Å; I44-Y48 VanDerWaalsContact O-N 3.1Å; I44-I60 HydrophobicContact CB-CG2 4.47Å; I44-I60 HydrophobicContact CD1-CG2 3.96Å; I44-I60 HydrophobicContact CG1-CG2 3.83Å; I44-I60 HydrophobicContact CG2-CB 3.84Å; I44-I60 HydrophobicContact CG2-CD1 4.45Å; I44-I60 HydrophobicContact CG2-CG2 3.86Å; I44-Y73 HydrophobicContact CG1-CD1 3.89Å; I44-Y73 HydrophobicContact CG1-CE1 4Å
45	E	96.9	Very high	89.8	Confident	115 Å²	115	70.1 Å²	70.1	54%	0.537	36%	0.361	S	S	.	.	H	α-helix	trans	-55.7	-50.7	175.5	-73.7	162.2	-173.7	0	0	111.1	K41 L47 Y48 E49	K41-E45 WeakPolarHBondContact O-CG 3.37Å; K41-E45 PolarHBondContact O-N 3.27Å; E45-L47 VanDerWaalsContact C-N 3.27Å; E45-L47 PolarHBondContact O-N 3.38Å; E45-Y48 PolarHBondContact O-N 3.41Å; E45-Y48 VanDerWaalsContact O-N 3.15Å; E45-E49 WeakPolarHBondContact O-CG 3.41Å; E45-E49 PolarHBondContact O-N 3.48Å
46	K	96.9	Very high	91.3	Very high	105 Å²	105	69.4 Å²	69.4	46%	0.457	37%	0.365	S	S	.	.	H	α-helix	trans	-59	-34.5	174.8	-74.1	171.2	178.5	176.9	0	113.7	K42 I44 E49 A50	K42-K46 WeakPolarHBondContact O-CD 3.42Å; K42-K46 VanDerWaalsContact O-CG 3.26Å; K42-K46 WeakPolarHBondContact O-CG 3.4Å; K42-K46 PolarHBondContact O-N 3.49Å; I44-K46 PolarHBondContact O-N 3.47Å; K46-E49 PolarHBondContact O-N 3.47Å; K46-A50 WeakPolarHBondContact O-CB 3.47Å; K46-A50 PolarHBondContact O-N 2.92Å
47	L	97.7	Very high	92.9	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-67.9	-39.2	178.1	178.9	55.7	0	0	0	111.3	D43 I44 E45 V51 L54 I60 Y73 H91 V131	D43-L47 WeakPolarHBondContact O-CB 3.48Å; D43-L47 PolarHBondContact O-N 3.29Å; D43-L47 VanDerWaalsContact O-N 3.08Å; I44-L47 WeakPolarHBondContact O-CB 3.24Å; I44-L47 PolarHBondContact O-N 2.87Å; I44-L47 VanDerWaalsContact O-N 3.11Å; E45-L47 VanDerWaalsContact C-N 3.27Å; E45-L47 PolarHBondContact O-N 3.38Å; L47-V51 PolarHBondContact O-N 3.1Å; L47-L54 HydrophobicContact CD1-CD1 4.05Å; L47-L54 HydrophobicContact CD2-CD1 4.5Å; L47-L54 HydrophobicContact CG-CD1 3.93Å; L47-I60 HydrophobicContact CD2-CD1 3.88Å; L47-I60 HydrophobicContact CG-CD1 4.26Å; L47-Y73 HydrophobicContact CD2-CD1 4.46Å; L47-Y73 HydrophobicContact CD2-CD2 3.5Å; L47-Y73 HydrophobicContact CD2-CE2 3.63Å; L47-Y73 HydrophobicContact CD2-CG 3.97Å; L47-H91 HydrophobicContact CD1-CB 3.93Å; L47-V131 HydrophobicContact CD1-CG2 3.79Å
48	Y	98.1	Very high	94.4	Very high	61 Å²	61	62.4 Å²	62.4	24%	0.239	34%	0.336	C	S	.	.	H	α-helix	trans	-65.7	-42.3	171.5	-74	-61.7	0	0	0	112.2	I44 E45 A50 V51 P52 L54 F58 I60	I44-Y48 HydrophobicContact CG2-CD2 3.93Å; I44-Y48 HydrophobicContact CG2-CE2 3.65Å; I44-Y48 WeakPolarHBondContact O-CD2 3.22Å; I44-Y48 PolarHBondContact O-N 3.42Å; I44-Y48 VanDerWaalsContact O-N 3.1Å; E45-Y48 PolarHBondContact O-N 3.41Å; E45-Y48 VanDerWaalsContact O-N 3.15Å; Y48-A50 PolarHBondContact O-N 3.4Å; Y48-V51 CarbonylContact O-C 3.52Å; Y48-V51 VanDerWaalsContact O-C 3.22Å; Y48-V51 PolarHBondContact O-N 3.44Å; Y48-P52 WeakPolarHBondContact O-CA 3.46Å; Y48-P52 VanDerWaalsContact O-N 3.08Å; Y48-L54 HydrophobicContact CD1-CB 3.97Å; Y48-L54 HydrophobicContact CE1-CB 4.09Å; Y48-F58 PolarHBondContact OH-O 3.29Å; Y48-I60 HydrophobicContact CD1-CD1 4.3Å; Y48-I60 HydrophobicContact CD2-CD1 4.43Å; Y48-I60 HydrophobicContact CE1-CD1 3.82Å; Y48-I60 HydrophobicContact CE1-CG1 4.09Å; Y48-I60 HydrophobicContact CE2-CB 4.2Å; Y48-I60 HydrophobicContact CE2-CD1 3.98Å; Y48-I60 HydrophobicContact CE2-CG1 4.17Å; Y48-I60 WeakPolarHBondContact OH-CG1 3.35Å; Y48-I60 PolarHBondContact OH-N 3.42Å
49	E	97.5	Very high	95.3	Very high	137 Å²	137	66.6 Å²	66.6	64%	0.64	34%	0.344	S	S	*	.	H	α-helix	trans	-61	-44.2	174.5	-68.1	173.2	169.2	0	0	112.2	E45 K46 K126	E45-E49 WeakPolarHBondContact O-CG 3.41Å; E45-E49 PolarHBondContact O-N 3.48Å; K46-E49 PolarHBondContact O-N 3.47Å; E49-K126 PolarHBondContact O-NZ 3.17Å
50	A	97.4	Very high	95.8	Very high	13 Å²	13	65.7 Å²	65.7	11%	0.107	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-45.5	178.4	0	0	0	0	0	111.9	K46 Y48 K126 H129	K46-A50 WeakPolarHBondContact O-CB 3.47Å; K46-A50 PolarHBondContact O-N 2.92Å; Y48-A50 PolarHBondContact O-N 3.4Å; A50-K126 VanDerWaalsContact O-CD 3.24Å; A50-K126 WeakPolarHBondContact O-CD 2.97Å; A50-H129 HydrophobicContact CB-CB 4.34Å
51	V	97.9	Very high	96	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.346	C	S	.	.			trans	-130.4	79.8	-179.6	-168.4	0	0	0	0	110.9	L47 Y48 Q53 L54 F124 H129 V131	L47-V51 PolarHBondContact O-N 3.1Å; Y48-V51 CarbonylContact O-C 3.52Å; Y48-V51 VanDerWaalsContact O-C 3.22Å; Y48-V51 PolarHBondContact O-N 3.44Å; V51-Q53 PolarHBondContact O-N 3.07Å; V51-L54 HydrophobicContact CB-CD1 3.96Å; V51-L54 HydrophobicContact CB-CG 4.07Å; V51-L54 HydrophobicContact CG1-CD1 4.34Å; V51-L54 HydrophobicContact CG1-CG 3.99Å; V51-L54 WeakPolarHBondContact O-CB 3.38Å; V51-L54 WeakPolarHBondContact O-CG 3.5Å; V51-L54 PolarHBondContact O-N 3.23Å; V51-F124 HydrophobicContact CG1-CB 3.89Å; V51-H129 HydrophobicContact CG2-CB 3.76Å; V51-V131 HydrophobicContact CG2-CG2 3.94Å
52	P	97.3	Very high	96.1	Very high	66 Å²	66	66.8 Å²	66.8	43%	0.429	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-60.1	-24.1	-172.4	-28.1	36.9	0	0	0	115.3	Y48 L54 G55 K126	Y48-P52 WeakPolarHBondContact O-CA 3.46Å; Y48-P52 VanDerWaalsContact O-N 3.08Å; P52-L54 PolarHBondContact O-N 2.83Å; P52-L54 VanDerWaalsContact O-N 3.14Å; P52-G55 PolarHBondContact O-N 2.85Å; P52-K126 HydrophobicContact CG-CD 4.3Å
53	Q	96.1	Very high	96.1	Very high	105 Å²	105	61.2 Å²	61.2	49%	0.491	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-55.6	-29.2	174.4	-65.1	173.3	3.3	0	0	112.3	V51 G55 N56 F124	V51-Q53 PolarHBondContact O-N 3.07Å; Q53-G55 VanDerWaalsContact C-N 3.28Å; Q53-G55 PolarHBondContact O-N 2.89Å; Q53-N56 PolarHBondContact O-N 3.36Å; Q53-F124 HydrophobicContact CB-CD1 4.09Å
54	L	96.3	Very high	96	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-64	-32.8	177.3	-60.3	177.6	0	0	0	112.4	L47 Y48 V51 P52 N56 V57 F58 F124 V131	L47-L54 HydrophobicContact CD1-CD1 4.05Å; L47-L54 HydrophobicContact CD2-CD1 4.5Å; L47-L54 HydrophobicContact CG-CD1 3.93Å; Y48-L54 HydrophobicContact CD1-CB 3.97Å; Y48-L54 HydrophobicContact CE1-CB 4.09Å; V51-L54 HydrophobicContact CB-CD1 3.96Å; V51-L54 HydrophobicContact CB-CG 4.07Å; V51-L54 HydrophobicContact CG1-CD1 4.34Å; V51-L54 HydrophobicContact CG1-CG 3.99Å; V51-L54 WeakPolarHBondContact O-CB 3.38Å; V51-L54 WeakPolarHBondContact O-CG 3.5Å; V51-L54 PolarHBondContact O-N 3.23Å; P52-L54 PolarHBondContact O-N 2.83Å; P52-L54 VanDerWaalsContact O-N 3.14Å; L54-N56 PolarHBondContact O-N 3.27Å; L54-V57 PolarHBondContact O-N 2.96Å; L54-V57 VanDerWaalsContact O-N 3.16Å; L54-F58 HydrophobicContact CB-CD2 4.27Å; L54-F58 HydrophobicContact CD2-CD2 3.63Å; L54-F58 HydrophobicContact CD2-CE2 3.74Å; L54-F58 PolarHBondContact O-N 3.35Å; L54-F124 HydrophobicContact CD2-CB 4.23Å; L54-F124 HydrophobicContact CD2-CD1 4.35Å; L54-F124 HydrophobicContact CD2-CD2 3.83Å; L54-F124 HydrophobicContact CD2-CE2 4.32Å; L54-F124 HydrophobicContact CD2-CG 3.87Å; L54-V131 HydrophobicContact CD1-CB 4.49Å; L54-V131 HydrophobicContact CD1-CG1 4.21Å; L54-V131 HydrophobicContact CD1-CG2 4.2Å; L54-V131 HydrophobicContact CD2-CG1 4.28Å
55	G	93.8	Very high	95.7	Very high	46 Å²	46	59.1 Å²	59.1	47%	0.474	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-63.7	-24.4	-179	0	0	0	0	0	113.8	P52 Q53	P52-G55 PolarHBondContact O-N 2.85Å; Q53-G55 VanDerWaalsContact C-N 3.28Å; Q53-G55 PolarHBondContact O-N 2.89Å
56	N	91.6	Very high	95.4	Very high	147 Å²	147	57.9 Å²	57.9	79%	0.786	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-89.1	-10.1	-179.7	-60.1	-15.2	0	0	0	113.2	Q53 L54	Q53-N56 PolarHBondContact O-N 3.36Å; L54-N56 PolarHBondContact O-N 3.27Å
57	V	93.4	Very high	94.9	Very high	67 Å²	67	54.1 Å²	54.1	41%	0.406	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-35.3	-168.1	-176.5	0	0	0	0	112.4	L54	L54-V57 PolarHBondContact O-N 2.96Å; L54-V57 VanDerWaalsContact O-N 3.16Å
58	F	96.1	Very high	94.5	Very high	17 Å²	17	58.8 Å²	58.8	8%	0.075	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.9	-169.8	-59.4	-74.6	0	0	0	112.7	Y48 L54 I60 A75 T76 A77 I87 L89 F124 A133	Y48-F58 PolarHBondContact OH-O 3.29Å; L54-F58 HydrophobicContact CB-CD2 4.27Å; L54-F58 HydrophobicContact CD2-CD2 3.63Å; L54-F58 HydrophobicContact CD2-CE2 3.74Å; L54-F58 PolarHBondContact O-N 3.35Å; F58-I60 HydrophobicContact CB-CG1 4.45Å; F58-A75 HydrophobicContact CB-CB 4.07Å; F58-A75 HydrophobicContact CD1-CB 4.27Å; F58-A75 HydrophobicContact CG-CB 4.48Å; F58-T76 WeakPolarHBondContact CA-O 3.42Å; F58-A77 HydrophobicContact CD1-CB 3.78Å; F58-A77 HydrophobicContact CE1-CB 3.77Å; F58-I87 HydrophobicContact CD1-CB 4.49Å; F58-I87 HydrophobicContact CD1-CG2 4.42Å; F58-I87 HydrophobicContact CE1-CB 4.23Å; F58-I87 HydrophobicContact CE1-CG1 4.16Å; F58-I87 HydrophobicContact CE1-CG2 3.87Å; F58-L89 HydrophobicContact CB-CD1 4.2Å; F58-L89 HydrophobicContact CD1-CD1 4.48Å; F58-L89 HydrophobicContact CD1-CD2 4.3Å; F58-L89 HydrophobicContact CD2-CD1 4.22Å; F58-L89 HydrophobicContact CD2-CD2 4.28Å; F58-L89 HydrophobicContact CE1-CD2 4.12Å; F58-L89 HydrophobicContact CE2-CD2 4.09Å; F58-L89 HydrophobicContact CG-CD1 4.05Å; F58-L89 HydrophobicContact CG-CD2 4.39Å; F58-L89 HydrophobicContact CZ-CD2 4.02Å; F58-F124 HydrophobicContact CE2-CD2 4.23Å; F58-F124 HydrophobicContact CE2-CE1 4.38Å; F58-F124 AromaticContact CE2-CE2 3.42Å; F58-F124 HydrophobicContact CE2-CE2 3.42Å; F58-F124 VanDerWaalsContact CE2-CE2 3.42Å; F58-F124 AromaticContact CE2-CZ 3.52Å; F58-F124 HydrophobicContact CE2-CZ 3.52Å; F58-F124 AromaticContact CZ-CE2 3.72Å; F58-F124 HydrophobicContact CZ-CE2 3.72Å; F58-F124 AromaticContact CZ-CZ 3.93Å; F58-F124 HydrophobicContact CZ-CZ 3.93Å; F58-A133 HydrophobicContact CZ-CB 4.2Å
59	K	96.4	Very high	94.2	Very high	147 Å²	147	58.8 Å²	58.8	64%	0.639	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	98.9	161.1	-173.4	173.2	-176.5	174.4	0	108.9	A75 T76	K59-A75 CarbonylContact O-C 3.14Å; K59-A75 VanDerWaalsContact O-CA 3.27Å; K59-A75 WeakPolarHBondContact O-CA 3.48Å; K59-T76 PolarHBondContact N-O 2.79Å; K59-T76 PolarHBondContact O-N 2.98Å
60	I	97	Very high	94.1	Very high	16 Å²	16	52.5 Å²	52.5	8%	0.082	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.3	178.1	-54.8	177	0	0	0	108.3	I44 L47 Y48 F58 Y73 A75 L89	I44-I60 HydrophobicContact CB-CG2 4.47Å; I44-I60 HydrophobicContact CD1-CG2 3.96Å; I44-I60 HydrophobicContact CG1-CG2 3.83Å; I44-I60 HydrophobicContact CG2-CB 3.84Å; I44-I60 HydrophobicContact CG2-CD1 4.45Å; I44-I60 HydrophobicContact CG2-CG2 3.86Å; L47-I60 HydrophobicContact CD2-CD1 3.88Å; L47-I60 HydrophobicContact CG-CD1 4.26Å; Y48-I60 HydrophobicContact CD1-CD1 4.3Å; Y48-I60 HydrophobicContact CD2-CD1 4.43Å; Y48-I60 HydrophobicContact CE1-CD1 3.82Å; Y48-I60 HydrophobicContact CE1-CG1 4.09Å; Y48-I60 HydrophobicContact CE2-CB 4.2Å; Y48-I60 HydrophobicContact CE2-CD1 3.98Å; Y48-I60 HydrophobicContact CE2-CG1 4.17Å; Y48-I60 WeakPolarHBondContact OH-CG1 3.35Å; Y48-I60 PolarHBondContact OH-N 3.42Å; F58-I60 HydrophobicContact CB-CG1 4.45Å; I60-Y73 HydrophobicContact CG2-CD1 4.26Å; I60-Y73 HydrophobicContact CG2-CG 4.36Å; I60-A75 HydrophobicContact CB-CB 4.49Å; I60-A75 HydrophobicContact CG1-CB 4.13Å; I60-L89 HydrophobicContact CD1-CD1 3.95Å; I60-L89 HydrophobicContact CG1-CD1 3.87Å
61	K	95.5	Very high	94.1	Very high	107 Å²	107	52.8 Å²	52.8	47%	0.465	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-47.9	-172.8	-65.3	-174.6	178	176.4	0	112.2	L74 T76 E84	K61-L74 PolarHBondContact N-O 3.21Å; K61-T76 HydrophobicContact CD-CG2 4.35Å; K61-T76 WeakPolarHBondContact CE-OG1 3.33Å; K61-T76 PolarHBondContact NZ-OG1 3.09Å; K61-E84 IonicContact NZ-OE1 3.51Å
62	D	95.8	Very high	94.1	Very high	62 Å²	62	54.3 Å²	54.3	33%	0.332	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	164.2	-174.5	-152.2	-13.3	0	0	0	112.1	V40 Y73 L74	V40-D62 WeakPolarHBondContact CG1-OD1 3.45Å; D62-Y73 CarbonylContact O-C 3.59Å; D62-Y73 WeakPolarHBondContact O-CA 3.11Å; D62-Y73 WeakPolarHBondContact O-CB 3.46Å; D62-L74 PolarHBondContact N-O 3.33Å; D62-L74 PolarHBondContact O-N 3.14Å
63	K	95.5	Very high	94.1	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	105.4	170.6	-172.2	-177.4	-163.1	-178.8	0	108.3	V40 D43 E66 S71 V72 Y73 F292	V40-K63 HydrophobicContact CG1-CB 3.87Å; V40-K63 HydrophobicContact CG2-CB 4.29Å; D43-K63 IonicContact OD2-NZ 3.86Å; D43-K63 PolarHBondContact OD2-NZ 2.92Å; K63-E66 WeakPolarHBondContact CE-OE2 3.26Å; K63-E66 VanDerWaalsContact NZ-CD 3.33Å; K63-E66 IonicContact NZ-OE1 3.8Å; K63-E66 IonicContact NZ-OE2 2.66Å; K63-E66 PolarHBondContact NZ-OE2 3.14Å; K63-S71 WeakPolarHBondContact CE-OG 3.31Å; K63-V72 CarbonylContact C-O 3.48Å; K63-Y73 HydrophobicContact CB-CD1 3.73Å; K63-Y73 HydrophobicContact CB-CE1 3.69Å; K63-Y73 HydrophobicContact CD-CE1 4.02Å; K63-Y73 HydrophobicContact CG-CD1 3.97Å; K63-Y73 HydrophobicContact CG-CE1 3.64Å; K63-F292 WeakPolarHBondContact O-CB 3.35Å; K63-F292 WeakPolarHBondContact O-CD2 3.48Å; K63-F292 WeakPolarHBondContact O-CG 3.39Å
64	I	92.8	Very high	94.2	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-20.2	-173.7	58	173.7	0	0	0	114.1	V72 L74 Y136 F292 N293	I64-V72 HydrophobicContact CD1-CG1 3.92Å; I64-V72 HydrophobicContact CG1-CB 4.14Å; I64-V72 HydrophobicContact CG1-CG1 3.84Å; I64-V72 WeakPolarHBondContact CG1-O 3.5Å; I64-V72 PolarHBondContact N-O 3.24Å; I64-L74 HydrophobicContact CD1-CB 4.33Å; I64-L74 HydrophobicContact CG2-CB 3.54Å; I64-Y136 HydrophobicContact CD1-CD2 3.94Å; I64-Y136 HydrophobicContact CD1-CE2 3.71Å; I64-F292 PolarHBondContact O-N 2.87Å; I64-N293 WeakPolarHBondContact CG2-OD1 3.17Å
65	G	90.5	Very high	94.2	Very high	10 Å²	10	47.5 Å²	47.5	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	148.2	179.4	0	0	0	0	0	113.4	V72 R290	G65-V72 PolarHBondContact N-O 3Å; G65-V72 VanDerWaalsContact N-O 3.08Å; G65-V72 PolarHBondContact O-N 3.16Å; G65-R290 WeakPolarHBondContact CA-O 3.49Å
66	E	90.2	Very high	94.3	Very high	89 Å²	89	45.7 Å²	45.7	42%	0.416	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	125.9	172.1	-174.3	171.2	165.8	0	0	109.8	K63 E289 R290 F292	K63-E66 WeakPolarHBondContact CE-OE2 3.26Å; K63-E66 VanDerWaalsContact NZ-CD 3.33Å; K63-E66 IonicContact NZ-OE1 3.8Å; K63-E66 IonicContact NZ-OE2 2.66Å; K63-E66 PolarHBondContact NZ-OE2 3.14Å; E66-E289 WeakPolarHBondContact O-CA 3.32Å; E66-R290 PolarHBondContact N-O 2.87Å; E66-F292 HydrophobicContact CB-CE2 4.11Å
67	G	87.3	Confident	94.3	Very high	26 Å²	26	39 Å²	39	27%	0.268	21%	0.208	S	C	.	.			trans	-137.3	179.6	178	0	0	0	0	0	111.7	F69 S70	G67-F69 PolarHBondContact O-N 2.99Å; G67-S70 PolarHBondContact N-O 2.86Å
68	T	88.8	Confident	93.7	Very high	98 Å²	98	43.9 Å²	43.9	60%	0.601	23%	0.226	S	C	*	.	S	Bend	trans	-63.4	-29.2	-172.5	-57	0	0	0	0	113.3
69	F	91.6	Very high	92.6	Very high	61 Å²	61	46.6 Å²	46.6	27%	0.268	24%	0.241	S	C	.	.	S	Bend	trans	-115.7	-2.4	-172.3	-54.9	-75	0	0	0	114.3	G67 I93 R100 L199	G67-F69 PolarHBondContact O-N 2.99Å; F69-I93 HydrophobicContact CD1-CD1 3.92Å; F69-I93 PolarHBondContact O-N 3.48Å; F69-R100 VanDerWaalsContact CG-NH2 3.25Å; F69-L199 HydrophobicContact CD2-CD2 3.98Å; F69-L199 HydrophobicContact CD2-CG 4.34Å; F69-L199 HydrophobicContact CE2-CD1 4.19Å; F69-L199 HydrophobicContact CE2-CD2 3.57Å; F69-L199 HydrophobicContact CE2-CG 4.23Å; F69-L199 HydrophobicContact CZ-CD2 4.01Å
70	S	95.3	Very high	91.5	Very high	6 Å²	6	49.4 Å²	49.4	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	158.4	-179.7	58.1	0	0	0	0	113.5	G67 K90 H91	G67-S70 PolarHBondContact N-O 2.86Å; S70-K90 VanDerWaalsContact CB-CE 3.45Å; S70-K90 WeakPolarHBondContact OG-CE 3.48Å; S70-H91 CarbonylContact C-O 3.22Å; S70-H91 WeakPolarHBondContact CA-O 3.38Å; S70-H91 VanDerWaalsContact CB-O 3.24Å; S70-H91 WeakPolarHBondContact CB-O 3.27Å
71	S	96.9	Very high	90.3	Very high	18 Å²	18	55.1 Å²	55.1	13%	0.126	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.8	158.8	-68.4	0	0	0	0	109.9	K63 H91	K63-S71 WeakPolarHBondContact CE-OG 3.31Å; S71-H91 PolarHBondContact N-O 3.35Å; S71-H91 PolarHBondContact O-N 3.1Å
72	V	97.4	Very high	89.2	Confident	32 Å²	32	52.4 Å²	52.4	19%	0.194	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.1	-179.7	-169.1	0	0	0	0	109.4	K63 I64 G65 A88 L89 K90	K63-V72 CarbonylContact C-O 3.48Å; I64-V72 HydrophobicContact CD1-CG1 3.92Å; I64-V72 HydrophobicContact CG1-CB 4.14Å; I64-V72 HydrophobicContact CG1-CG1 3.84Å; I64-V72 WeakPolarHBondContact CG1-O 3.5Å; I64-V72 PolarHBondContact N-O 3.24Å; G65-V72 PolarHBondContact N-O 3Å; G65-V72 VanDerWaalsContact N-O 3.08Å; G65-V72 PolarHBondContact O-N 3.16Å; V72-A88 HydrophobicContact CG1-CB 4.22Å; V72-L89 WeakPolarHBondContact CA-O 3.1Å; V72-K90 HydrophobicContact CG2-CB 4.29Å; V72-K90 HydrophobicContact CG2-CG 4.13Å
73	Y	98.1	Very high	88.7	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140	-177.9	-57.7	-98	0	0	0	110.7	D43 I44 L47 I60 D62 K63 A88 L89 H91	D43-Y73 HydrophobicContact CB-CE1 4.37Å; I44-Y73 HydrophobicContact CG1-CD1 3.89Å; I44-Y73 HydrophobicContact CG1-CE1 4Å; L47-Y73 HydrophobicContact CD2-CD1 4.46Å; L47-Y73 HydrophobicContact CD2-CD2 3.5Å; L47-Y73 HydrophobicContact CD2-CE2 3.63Å; L47-Y73 HydrophobicContact CD2-CG 3.97Å; I60-Y73 HydrophobicContact CG2-CD1 4.26Å; I60-Y73 HydrophobicContact CG2-CG 4.36Å; D62-Y73 CarbonylContact O-C 3.59Å; D62-Y73 WeakPolarHBondContact O-CA 3.11Å; D62-Y73 WeakPolarHBondContact O-CB 3.46Å; K63-Y73 HydrophobicContact CB-CD1 3.73Å; K63-Y73 HydrophobicContact CB-CE1 3.69Å; K63-Y73 HydrophobicContact CD-CE1 4.02Å; K63-Y73 HydrophobicContact CG-CD1 3.97Å; K63-Y73 HydrophobicContact CG-CE1 3.64Å; Y73-A88 WeakPolarHBondContact O-CA 3.25Å; Y73-L89 PolarHBondContact N-O 3.29Å; Y73-L89 PolarHBondContact O-N 3.1Å; Y73-H91 HydrophobicContact CE2-CB 4.25Å
74	L	97.6	Very high	88.4	Confident	25 Å²	25	59.8 Å²	59.8	13%	0.131	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127.7	167	171.6	62.6	0	0	0	108.5	K61 D62 I64 K86 Y136	K61-L74 PolarHBondContact N-O 3.21Å; D62-L74 PolarHBondContact N-O 3.33Å; D62-L74 PolarHBondContact O-N 3.14Å; I64-L74 HydrophobicContact CD1-CB 4.33Å; I64-L74 HydrophobicContact CG2-CB 3.54Å; L74-K86 HydrophobicContact CD1-CB 4.05Å; L74-K86 HydrophobicContact CD1-CG 4.33Å; L74-Y136 HydrophobicContact CD1-CD1 4.12Å; L74-Y136 HydrophobicContact CD1-CD2 3.75Å; L74-Y136 HydrophobicContact CD1-CE1 4.34Å; L74-Y136 HydrophobicContact CD1-CE2 4.02Å; L74-Y136 HydrophobicContact CD1-CG 3.8Å
75	A	97.4	Very high	88.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	168.8	171.5	0	0	0	0	0	110.9	F58 K59 I60 K86 I87 L89	F58-A75 HydrophobicContact CB-CB 4.07Å; F58-A75 HydrophobicContact CD1-CB 4.27Å; F58-A75 HydrophobicContact CG-CB 4.48Å; K59-A75 CarbonylContact O-C 3.14Å; K59-A75 VanDerWaalsContact O-CA 3.27Å; K59-A75 WeakPolarHBondContact O-CA 3.48Å; I60-A75 HydrophobicContact CB-CB 4.49Å; I60-A75 HydrophobicContact CG1-CB 4.13Å; A75-K86 WeakPolarHBondContact O-CA 3.39Å; A75-I87 PolarHBondContact N-O 3.15Å; A75-I87 PolarHBondContact O-N 3.01Å; A75-L89 HydrophobicContact CB-CD1 3.75Å; A75-L89 HydrophobicContact CB-CG 4.08Å
76	T	95.4	Very high	88.6	Confident	8 Å²	8	65.6 Å²	65.6	5%	0.049	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.4	158.7	50.2	0	0	0	0	112.3	F58 K59 K61 E84 E85 K86	F58-T76 WeakPolarHBondContact CA-O 3.42Å; K59-T76 PolarHBondContact N-O 2.79Å; K59-T76 PolarHBondContact O-N 2.98Å; K61-T76 HydrophobicContact CD-CG2 4.35Å; K61-T76 WeakPolarHBondContact CE-OG1 3.33Å; K61-T76 PolarHBondContact NZ-OG1 3.09Å; T76-E84 WeakPolarHBondContact CB-OE1 3.5Å; T76-E84 HydrophobicContact CG2-CG 4.13Å; T76-E84 VanDerWaalsContact CG2-OE1 3.3Å; T76-E84 WeakPolarHBondContact CG2-OE1 3.2Å; T76-E84 PolarHBondContact OG1-OE1 2.87Å; T76-E85 VanDerWaalsContact CA-O 3.24Å; T76-E85 WeakPolarHBondContact CA-O 3.31Å; T76-K86 HydrophobicContact CG2-CG 4.19Å
77	A	91.8	Very high	89	Confident	7 Å²	7	61.6 Å²	61.6	6%	0.058	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.3	175.6	0	0	0	0	0	109.8	F58 E84 E85 I87	F58-A77 HydrophobicContact CD1-CB 3.78Å; F58-A77 HydrophobicContact CE1-CB 3.77Å; A77-E84 WeakPolarHBondContact O-CA 3.44Å; A77-E85 PolarHBondContact N-O 2.97Å; A77-E85 PolarHBondContact O-N 3.49Å; A77-I87 HydrophobicContact CB-CG1 4.15Å
78	Q	81.6	Confident	89.5	Confident	169 Å²	169	60.9 Å²	60.9	79%	0.79	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.2	160.5	-72	-174.1	-12.8	0	0	108.1
79	L	71.4	Confident	89.9	Confident	73 Å²	73	56.2 Å²	56.2	38%	0.382	30%	0.303	S	S	.	.			trans	-72.8	147.1	170.9	-62.8	174.1	0	0	0	109	V81 E85	L79-V81 WeakPolarHBondContact CB-O 3.49Å; L79-V81 PolarHBondContact O-N 3.46Å; L79-E85 HydrophobicContact CD1-CB 4.5Å
80	Q	73.8	Confident	90.2	Very high	206 Å²	206	53.7 Å²	53.7	96%	0.963	29%	0.292	S	S	*	.	S	Bend	trans	-59.7	-27.5	172.4	-68.8	-175.3	-7.4	0	0	112
81	V	72.8	Confident	90.4	Very high	136 Å²	136	55.2 Å²	55.2	82%	0.824	30%	0.298	S	S	*	.	S	Bend	trans	-139.1	111.1	172.6	-173.7	0	0	0	0	107.7	L79	L79-V81 WeakPolarHBondContact CB-O 3.49Å; L79-V81 PolarHBondContact O-N 3.46Å
82	G	71.6	Confident	90.4	Very high	51 Å²	51	54.5 Å²	54.5	53%	0.526	29%	0.293	S	S	.	.	S	Bend	trans	132.8	177.3	176.7	0	0	0	0	0	114.6
83	P	85.4	Confident	90.2	Very high	107 Å²	107	55.5 Å²	55.5	70%	0.695	30%	0.297	S	S	*	.	S	Bend	trans	-70.9	167.4	176.3	31.1	-35.8	0	0	0	112.7	E85	P83-E85 PolarHBondContact O-N 3.3Å
84	E	88.4	Confident	90.1	Very high	115 Å²	115	57.3 Å²	57.3	54%	0.537	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	126.7	168.8	-176.5	-175.4	172.2	0	0	110	K61 T76 A77	K61-E84 IonicContact NZ-OE1 3.51Å; T76-E84 WeakPolarHBondContact CB-OE1 3.5Å; T76-E84 HydrophobicContact CG2-CG 4.13Å; T76-E84 VanDerWaalsContact CG2-OE1 3.3Å; T76-E84 WeakPolarHBondContact CG2-OE1 3.2Å; T76-E84 PolarHBondContact OG1-OE1 2.87Å; A77-E84 WeakPolarHBondContact O-CA 3.44Å
85	E	92.4	Very high	89.9	Confident	52 Å²	52	62.1 Å²	62.1	24%	0.243	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.6	-175.5	-164.7	-178.3	-168.5	0	0	111.5	T76 A77 L79 P83 I87 K121	T76-E85 VanDerWaalsContact CA-O 3.24Å; T76-E85 WeakPolarHBondContact CA-O 3.31Å; A77-E85 PolarHBondContact N-O 2.97Å; A77-E85 PolarHBondContact O-N 3.49Å; L79-E85 HydrophobicContact CD1-CB 4.5Å; P83-E85 PolarHBondContact O-N 3.3Å; E85-I87 HydrophobicContact CG-CD1 4.3Å; E85-K121 WeakPolarHBondContact OE1-CE 3.25Å; E85-K121 IonicContact OE1-NZ 2.61Å; E85-K121 PolarHBondContact OE1-NZ 3.08Å; E85-K121 IonicContact OE2-NZ 3.54Å; E85-K121 PolarHBondContact OE2-NZ 3.11Å
86	K	95.9	Very high	89.8	Confident	95 Å²	95	62.9 Å²	62.9	41%	0.413	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.7	169.1	-66.7	179.8	-179.2	172.6	0	109.6	L74 A75 T76 Y136 E138	L74-K86 HydrophobicContact CD1-CB 4.05Å; L74-K86 HydrophobicContact CD1-CG 4.33Å; A75-K86 WeakPolarHBondContact O-CA 3.39Å; T76-K86 HydrophobicContact CG2-CG 4.19Å; K86-Y136 VanDerWaalsContact C-CB 3.48Å; K86-Y136 HydrophobicContact CB-CD1 3.67Å; K86-Y136 HydrophobicContact CB-CG 3.96Å; K86-Y136 HydrophobicContact CD-CD1 3.58Å; K86-Y136 HydrophobicContact CD-CE1 3.81Å; K86-Y136 HydrophobicContact CG-CD1 4.26Å; K86-Y136 VanDerWaalsContact O-CB 3.25Å; K86-Y136 WeakPolarHBondContact O-CB 3.26Å; K86-Y136 PolarHBondContact O-N 3.43Å; K86-E138 IonicContact NZ-OE2 3.53Å; K86-E138 PolarHBondContact NZ-OE2 3.43Å
87	I	97.2	Very high	89.8	Confident	5 Å²	5	67 Å²	67	3%	0.026	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138	-177.2	-62.7	-63.7	0	0	0	109.7	F58 A75 A77 E85 L89 K121 A133	F58-I87 HydrophobicContact CD1-CB 4.49Å; F58-I87 HydrophobicContact CD1-CG2 4.42Å; F58-I87 HydrophobicContact CE1-CB 4.23Å; F58-I87 HydrophobicContact CE1-CG1 4.16Å; F58-I87 HydrophobicContact CE1-CG2 3.87Å; A75-I87 PolarHBondContact N-O 3.15Å; A75-I87 PolarHBondContact O-N 3.01Å; A77-I87 HydrophobicContact CB-CG1 4.15Å; E85-I87 HydrophobicContact CG-CD1 4.3Å; I87-L89 HydrophobicContact CG2-CD2 3.76Å; I87-L89 HydrophobicContact CG2-CG 4.27Å; I87-K121 HydrophobicContact CD1-CD 4.01Å; I87-A133 HydrophobicContact CG2-CB 4.07Å
88	A	98.2	Very high	90	Very high	10 Å²	10	71 Å²	71	8%	0.083	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.8	168.6	0	0	0	0	0	109.4	V72 Y73 M134	V72-A88 HydrophobicContact CG1-CB 4.22Å; Y73-A88 WeakPolarHBondContact O-CA 3.25Å; A88-M134 HydrophobicContact CB-CB 4.49Å; A88-M134 PolarHBondContact N-O 2.99Å; A88-M134 PolarHBondContact O-N 3.39Å
89	L	98.4	Very high	90.7	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	104.7	176.1	-62.2	-179.5	0	0	0	109.5	F58 I60 V72 Y73 A75 I87 V131 A133	F58-L89 HydrophobicContact CB-CD1 4.2Å; F58-L89 HydrophobicContact CD1-CD1 4.48Å; F58-L89 HydrophobicContact CD1-CD2 4.3Å; F58-L89 HydrophobicContact CD2-CD1 4.22Å; F58-L89 HydrophobicContact CD2-CD2 4.28Å; F58-L89 HydrophobicContact CE1-CD2 4.12Å; F58-L89 HydrophobicContact CE2-CD2 4.09Å; F58-L89 HydrophobicContact CG-CD1 4.05Å; F58-L89 HydrophobicContact CG-CD2 4.39Å; F58-L89 HydrophobicContact CZ-CD2 4.02Å; I60-L89 HydrophobicContact CD1-CD1 3.95Å; I60-L89 HydrophobicContact CG1-CD1 3.87Å; V72-L89 WeakPolarHBondContact CA-O 3.1Å; Y73-L89 PolarHBondContact N-O 3.29Å; Y73-L89 PolarHBondContact O-N 3.1Å; A75-L89 HydrophobicContact CB-CD1 3.75Å; A75-L89 HydrophobicContact CB-CG 4.08Å; I87-L89 HydrophobicContact CG2-CD2 3.76Å; I87-L89 HydrophobicContact CG2-CG 4.27Å; L89-V131 HydrophobicContact CB-CG1 3.96Å; L89-V131 HydrophobicContact CD2-CG1 4.24Å; L89-A133 HydrophobicContact CD2-CB 3.74Å
90	K	98.3	Very high	91.9	Very high	8 Å²	8	64.9 Å²	64.9	4%	0.035	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	103.9	174.6	-176.8	-179.4	-170.5	-172.7	0	109.7	S70 V72 L92 E104 V131 I132 M134 D196	S70-K90 VanDerWaalsContact CB-CE 3.45Å; S70-K90 WeakPolarHBondContact OG-CE 3.48Å; V72-K90 HydrophobicContact CG2-CB 4.29Å; V72-K90 HydrophobicContact CG2-CG 4.13Å; K90-L92 HydrophobicContact CD-CD2 3.99Å; K90-L92 HydrophobicContact CG-CD2 4.02Å; K90-E104 WeakPolarHBondContact CE-OE1 3.49Å; K90-E104 IonicContact NZ-OE1 3.45Å; K90-E104 PolarHBondContact NZ-OE1 3.41Å; K90-E104 IonicContact NZ-OE2 3.22Å; K90-V131 WeakPolarHBondContact O-CA 3Å; K90-I132 HydrophobicContact CB-CB 4.46Å; K90-I132 PolarHBondContact N-O 3.29Å; K90-I132 PolarHBondContact O-N 2.96Å; K90-M134 HydrophobicContact CB-CE 3.57Å; K90-M134 HydrophobicContact CD-CE 4.31Å; K90-D196 IonicContact NZ-OD1 2.72Å; K90-D196 PolarHBondContact NZ-OD1 2.89Å; K90-D196 IonicContact NZ-OD2 2.91Å
91	H	98.3	Very high	93	Very high	38 Å²	38	56.1 Å²	56.1	18%	0.176	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113.1	170.7	177.9	-148.7	0	0	0	109.3	L47 S70 S71 Y73 H129 V131	L47-H91 HydrophobicContact CD1-CB 3.93Å; S70-H91 CarbonylContact C-O 3.22Å; S70-H91 WeakPolarHBondContact CA-O 3.38Å; S70-H91 VanDerWaalsContact CB-O 3.24Å; S70-H91 WeakPolarHBondContact CB-O 3.27Å; S71-H91 PolarHBondContact N-O 3.35Å; S71-H91 PolarHBondContact O-N 3.1Å; Y73-H91 HydrophobicContact CE2-CB 4.25Å; H91-H129 AromaticContact NE2-CE1 3.54Å; H91-H129 AromaticContact NE2-ND1 3.3Å; H91-H129 PolarHBondContact NE2-ND1 2.83Å; H91-V131 HydrophobicContact CB-CG2 4.08Å
92	L	96.8	Very high	94.2	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	149.5	177.3	-56.2	-178.7	0	0	0	110.5	K90 I101 V130 I132	K90-L92 HydrophobicContact CD-CD2 3.99Å; K90-L92 HydrophobicContact CG-CD2 4.02Å; L92-I101 HydrophobicContact CD1-CB 4.23Å; L92-I101 HydrophobicContact CD1-CG1 3.92Å; L92-I101 HydrophobicContact CD1-CG2 3.78Å; L92-V130 HydrophobicContact CD1-CB 4.36Å; L92-V130 HydrophobicContact CD1-CG1 4.12Å; L92-V130 PolarHBondContact N-O 2.78Å; L92-I132 HydrophobicContact CD1-CD1 4.16Å
93	I	94.4	Very high	95.4	Very high	52 Å²	52	49.1 Å²	49.1	27%	0.267	27%	0.269	S	S	.	.			trans	-62.4	134.2	174.7	61.4	175	0	0	0	110	F69 T95 S96	F69-I93 HydrophobicContact CD1-CD1 3.92Å; F69-I93 PolarHBondContact O-N 3.48Å; I93-T95 WeakPolarHBondContact CD1-OG1 3.15Å; I93-T95 PolarHBondContact O-N 3.34Å; I93-T95 VanDerWaalsContact O-N 3.09Å; I93-S96 VanDerWaalsContact CG1-OG 3.27Å; I93-S96 WeakPolarHBondContact CG1-OG 3.44Å; I93-S96 VanDerWaalsContact O-CB 3.26Å; I93-S96 WeakPolarHBondContact O-CB 3.49Å; I93-S96 PolarHBondContact O-N 3.46Å; I93-S96 PolarHBondContact O-OG 2.76Å
94	P	94.8	Very high	96	Very high	43 Å²	43	44.6 Å²	44.6	28%	0.279	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.3	-175.3	-22.6	33.4	0	0	0	114.6	S96 D128 H129	P94-S96 PolarHBondContact O-N 3.4Å; P94-D128 HydrophobicContact CB-CB 3.98Å; P94-D128 VanDerWaalsContact CB-OD2 3.23Å; P94-D128 WeakPolarHBondContact CB-OD2 3.48Å; P94-H129 VanDerWaalsContact CG-CE1 3.5Å; P94-H129 WeakPolarHBondContact CG-CE1 3.24Å
95	T	94.6	Very high	96.5	Very high	126 Å²	126	41.3 Å²	41.3	77%	0.773	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	3	172.6	53.4	0	0	0	0	114	I93	I93-T95 WeakPolarHBondContact CD1-OG1 3.15Å; I93-T95 PolarHBondContact O-N 3.34Å; I93-T95 VanDerWaalsContact O-N 3.09Å
96	S	94.3	Very high	96.8	Very high	15 Å²	15	41 Å²	41	11%	0.105	22%	0.223	C	C	.	.	S	Bend	trans	-71.4	128.4	176.9	-60.2	0	0	0	0	111.3	I93 P94	I93-S96 VanDerWaalsContact CG1-OG 3.27Å; I93-S96 WeakPolarHBondContact CG1-OG 3.44Å; I93-S96 VanDerWaalsContact O-CB 3.26Å; I93-S96 WeakPolarHBondContact O-CB 3.49Å; I93-S96 PolarHBondContact O-N 3.46Å; I93-S96 PolarHBondContact O-OG 2.76Å; P94-S96 PolarHBondContact O-N 3.4Å
97	H	95.6	Very high	96.9	Very high	96 Å²	96	36.5 Å²	36.5	44%	0.444	20%	0.204	S	C	.	.			trans	-63.1	135.7	178	-170.2	-131.5	0	0	0	111.1	V99 R100 I101 E217	H97-V99 VanDerWaalsContact C-N 3.26Å; H97-V99 PolarHBondContact O-N 3.43Å; H97-V99 VanDerWaalsContact O-N 3.13Å; H97-R100 WeakPolarHBondContact O-CA 3.46Å; H97-R100 WeakPolarHBondContact O-CB 3.35Å; H97-R100 PolarHBondContact O-N 3.39Å; H97-I101 PolarHBondContact O-N 3.23Å; H97-I101 VanDerWaalsContact O-N 3.14Å; H97-E217 IonicContact CE1-OE1 2.67Å; H97-E217 PolarHBondContact CE1-OE1 3.33Å; H97-E217 IonicContact ND1-OE1 3.47Å; H97-E217 PolarHBondContact ND1-OE1 2.6Å
98	P	96.2	Very high	96.9	Very high	91 Å²	91	36.5 Å²	36.5	59%	0.591	20%	0.204	S	C	*	.	H	α-helix	trans	-55.8	-33.8	-175.4	-31	38	0	0	0	115.1	R100 I101 A102	P98-R100 VanDerWaalsContact C-N 3.33Å; P98-R100 PolarHBondContact O-N 3.48Å; P98-I101 PolarHBondContact O-N 3.34Å; P98-A102 WeakPolarHBondContact O-CB 3.34Å; P98-A102 PolarHBondContact O-N 2.92Å
99	V	96	Very high	96.9	Very high	42 Å²	42	40.1 Å²	40.1	26%	0.255	23%	0.225	S	C	.	.	H	α-helix	trans	-62.9	-40.2	175.4	178.8	0	0	0	0	111.3	H97 A102 A103 F213 V214	H97-V99 VanDerWaalsContact C-N 3.26Å; H97-V99 PolarHBondContact O-N 3.43Å; H97-V99 VanDerWaalsContact O-N 3.13Å; V99-A102 PolarHBondContact O-N 2.89Å; V99-A103 VanDerWaalsContact O-CB 3.24Å; V99-A103 WeakPolarHBondContact O-CB 3.4Å; V99-A103 PolarHBondContact O-N 2.8Å; V99-F213 HydrophobicContact CG1-CB 3.99Å; V99-V214 HydrophobicContact CG1-CG2 4.19Å
100	R	96.1	Very high	96.9	Very high	70 Å²	70	43 Å²	43	26%	0.264	24%	0.242	S	C	.	.	H	α-helix	trans	-68.1	-42.7	177.9	-177.5	176.7	173.7	-163.1	-8.9	111.6	F69 H97 P98 A103 E104 G198 L199	F69-R100 VanDerWaalsContact CG-NH2 3.25Å; H97-R100 WeakPolarHBondContact O-CA 3.46Å; H97-R100 WeakPolarHBondContact O-CB 3.35Å; H97-R100 PolarHBondContact O-N 3.39Å; P98-R100 VanDerWaalsContact C-N 3.33Å; P98-R100 PolarHBondContact O-N 3.48Å; R100-A103 PolarHBondContact O-N 2.84Å; R100-E104 PolarHBondContact O-N 3.35Å; R100-G198 PolarHBondContact NE-O 2.89Å; R100-G198 PolarHBondContact NH2-O 3.29Å; R100-L199 VanDerWaalsContact NH2-CD2 3.29Å
101	I	97.2	Very high	96.9	Very high	23 Å²	23	42.6 Å²	42.6	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-49.3	174.3	-62.6	176.3	0	0	0	110.6	L92 H97 P98 E104 L105 V130	L92-I101 HydrophobicContact CD1-CB 4.23Å; L92-I101 HydrophobicContact CD1-CG1 3.92Å; L92-I101 HydrophobicContact CD1-CG2 3.78Å; H97-I101 PolarHBondContact O-N 3.23Å; H97-I101 VanDerWaalsContact O-N 3.14Å; P98-I101 PolarHBondContact O-N 3.34Å; I101-E104 PolarHBondContact O-N 2.97Å; I101-L105 PolarHBondContact O-N 3.13Å; I101-L105 VanDerWaalsContact O-N 3.1Å; I101-V130 HydrophobicContact CD1-CB 4.47Å; I101-V130 HydrophobicContact CD1-CG2 4.06Å; I101-V130 HydrophobicContact CG2-CB 4.25Å; I101-V130 HydrophobicContact CG2-CG1 3.81Å; I101-V130 HydrophobicContact CG2-CG2 4.16Å
102	A	97.8	Very high	96.9	Very high	38 Å²	38	41.4 Å²	41.4	31%	0.314	24%	0.238	S	C	.	.	H	α-helix	trans	-68.5	-35	-178.2	0	0	0	0	0	112	P98 V99 L105 Q106 L210	P98-A102 WeakPolarHBondContact O-CB 3.34Å; P98-A102 PolarHBondContact O-N 2.92Å; V99-A102 PolarHBondContact O-N 2.89Å; A102-L105 PolarHBondContact O-N 2.75Å; A102-Q106 WeakPolarHBondContact O-CB 3.48Å; A102-Q106 PolarHBondContact O-N 3.16Å; A102-L210 VanDerWaalsContact C-CD1 3.45Å; A102-L210 HydrophobicContact CB-CD1 3.56Å; A102-L210 WeakPolarHBondContact O-CD1 3.36Å
103	A	97.8	Very high	96.9	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-43.4	173.7	0	0	0	0	0	112.4	V99 R100 L105 Q106 C107 L210 L211 V214	V99-A103 VanDerWaalsContact O-CB 3.24Å; V99-A103 WeakPolarHBondContact O-CB 3.4Å; V99-A103 PolarHBondContact O-N 2.8Å; R100-A103 PolarHBondContact O-N 2.84Å; A103-L105 VanDerWaalsContact C-N 3.32Å; A103-L105 PolarHBondContact O-N 2.94Å; A103-Q106 PolarHBondContact O-N 2.84Å; A103-Q106 VanDerWaalsContact O-N 3.14Å; A103-C107 PolarHBondContact O-N 3.37Å; A103-C107 PolarHBondContact O-SG 3Å; A103-C107 VanDerWaalsContact O-SG 3.35Å; A103-L210 HydrophobicContact CB-CB 3.75Å; A103-L211 HydrophobicContact CB-CD2 3.91Å; A103-L211 HydrophobicContact CB-CG 4.43Å; A103-V214 HydrophobicContact CB-CG2 4.24Å
104	E	98	Very high	97.1	Very high	11 Å²	11	46.3 Å²	46.3	5%	0.051	28%	0.277	C	S	.	.	H	α-helix	trans	-58	-45.2	173.8	-177.5	178.8	164.9	0	0	111.1	K90 R100 I101 Q106 C107 L108 I132 F197 G198	K90-E104 WeakPolarHBondContact CE-OE1 3.49Å; K90-E104 IonicContact NZ-OE1 3.45Å; K90-E104 PolarHBondContact NZ-OE1 3.41Å; K90-E104 IonicContact NZ-OE2 3.22Å; R100-E104 PolarHBondContact O-N 3.35Å; I101-E104 PolarHBondContact O-N 2.97Å; E104-Q106 VanDerWaalsContact C-N 3.33Å; E104-Q106 PolarHBondContact O-N 2.61Å; E104-C107 WeakPolarHBondContact O-CB 3.4Å; E104-C107 PolarHBondContact O-N 3.07Å; E104-L108 WeakPolarHBondContact O-CG 3.39Å; E104-L108 PolarHBondContact O-N 2.86Å; E104-L108 VanDerWaalsContact O-N 3.16Å; E104-I132 HydrophobicContact CG-CD1 4.41Å; E104-F197 HydrophobicContact CG-CB 4.06Å; E104-G198 VanDerWaalsContact OE2-CA 3.25Å; E104-G198 WeakPolarHBondContact OE2-CA 3.26Å
105	L	98.1	Very high	97.2	Very high	47 Å²	47	47.8 Å²	47.8	25%	0.246	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-33.4	175.9	-170.7	65.4	0	0	0	112.7	I101 A102 A103 L108 T109 V120 C123 I132	I101-L105 PolarHBondContact O-N 3.13Å; I101-L105 VanDerWaalsContact O-N 3.1Å; A102-L105 PolarHBondContact O-N 2.75Å; A103-L105 VanDerWaalsContact C-N 3.32Å; A103-L105 PolarHBondContact O-N 2.94Å; L105-L108 PolarHBondContact O-N 3.33Å; L105-T109 WeakPolarHBondContact O-CG2 3.43Å; L105-T109 PolarHBondContact O-N 3.42Å; L105-T109 PolarHBondContact O-OG1 2.9Å; L105-V120 HydrophobicContact CD1-CB 4.36Å; L105-V120 HydrophobicContact CD1-CG1 4.06Å; L105-V120 HydrophobicContact CD1-CG2 3.9Å; L105-C123 HydrophobicContact CD1-CB 4.15Å; L105-C123 HydrophobicContact CD2-CB 4.08Å; L105-I132 HydrophobicContact CD1-CG2 4.46Å
106	Q	98.4	Very high	97.4	Very high	46 Å²	46	43.5 Å²	43.5	22%	0.215	26%	0.255	C	S	.	.	H	α-helix	trans	-68.9	-38.6	175.3	-163.6	178	31.5	0	0	111.6	A102 A103 E104 T109 V110 I208 L210	A102-Q106 WeakPolarHBondContact O-CB 3.48Å; A102-Q106 PolarHBondContact O-N 3.16Å; A103-Q106 PolarHBondContact O-N 2.84Å; A103-Q106 VanDerWaalsContact O-N 3.14Å; E104-Q106 VanDerWaalsContact C-N 3.33Å; E104-Q106 PolarHBondContact O-N 2.61Å; Q106-T109 WeakPolarHBondContact CA-OG1 3.26Å; Q106-T109 PolarHBondContact O-N 2.65Å; Q106-T109 PolarHBondContact O-OG1 3.02Å; Q106-V110 HydrophobicContact CG-CG2 3.88Å; Q106-V110 VanDerWaalsContact O-CB 3.27Å; Q106-V110 WeakPolarHBondContact O-CB 3.35Å; Q106-V110 WeakPolarHBondContact O-CG2 3.49Å; Q106-V110 PolarHBondContact O-N 2.78Å; Q106-I208 HydrophobicContact CB-CG2 3.98Å; Q106-I208 HydrophobicContact CG-CG2 3.86Å; Q106-I208 VanDerWaalsContact OE1-CG2 3.25Å; Q106-L210 HydrophobicContact CB-CD1 4.27Å
107	C	98.5	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-48.2	171.6	-66.2	0	0	0	0	111.5	A103 E104 T109 A111 G112 I173 F197	A103-C107 PolarHBondContact O-N 3.37Å; A103-C107 PolarHBondContact O-SG 3Å; A103-C107 VanDerWaalsContact O-SG 3.35Å; E104-C107 WeakPolarHBondContact O-CB 3.4Å; E104-C107 PolarHBondContact O-N 3.07Å; C107-T109 VanDerWaalsContact C-N 3.33Å; C107-T109 PolarHBondContact O-N 2.99Å; C107-A111 WeakPolarHBondContact O-CB 3.49Å; C107-A111 PolarHBondContact O-N 2.75Å; C107-G112 PolarHBondContact O-N 2.66Å; C107-G112 VanDerWaalsContact O-N 3.13Å; C107-I173 HydrophobicContact CB-CD1 4.33Å; C107-F197 HydrophobicContact CB-CB 3.73Å; C107-F197 HydrophobicContact CB-CD1 3.75Å; C107-F197 HydrophobicContact CB-CD2 3.94Å; C107-F197 HydrophobicContact CB-CE1 4.38Å; C107-F197 HydrophobicContact CB-CG 3.5Å; C107-F197 VanDerWaalsContact CB-CG 3.5Å
108	L	98.3	Very high	97.8	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-29.3	-179.2	-67	170.8	0	0	0	113.9	E104 L105 G112 M118 V120 I132 M134 F197	E104-L108 WeakPolarHBondContact O-CG 3.39Å; E104-L108 PolarHBondContact O-N 2.86Å; E104-L108 VanDerWaalsContact O-N 3.16Å; L105-L108 PolarHBondContact O-N 3.33Å; L108-G112 WeakPolarHBondContact O-CA 3.21Å; L108-M118 HydrophobicContact CD2-CB 4.35Å; L108-M118 HydrophobicContact CD2-CG 4.39Å; L108-M118 WeakPolarHBondContact CD2-O 3.42Å; L108-V120 HydrophobicContact CB-CB 4.02Å; L108-V120 HydrophobicContact CB-CG1 3.93Å; L108-V120 HydrophobicContact CD1-CB 4.44Å; L108-I132 HydrophobicContact CD1-CD1 4.19Å; L108-I132 HydrophobicContact CD1-CG2 3.95Å; L108-M134 HydrophobicContact CD1-SD 4.32Å; L108-F197 HydrophobicContact CD2-CD2 3.72Å; L108-F197 HydrophobicContact CD2-CE2 3.95Å; L108-F197 HydrophobicContact CG-CD2 4.14Å
109	T	98.1	Very high	97.9	Very high	87 Å²	87	35.5 Å²	35.5	53%	0.534	21%	0.211	S	C	.	.	H	α-helix	trans	-88.5	-34.1	178.9	46.7	0	0	0	0	113.8	L105 Q106 C107 V120	L105-T109 WeakPolarHBondContact O-CG2 3.43Å; L105-T109 PolarHBondContact O-N 3.42Å; L105-T109 PolarHBondContact O-OG1 2.9Å; Q106-T109 WeakPolarHBondContact CA-OG1 3.26Å; Q106-T109 PolarHBondContact O-N 2.65Å; Q106-T109 PolarHBondContact O-OG1 3.02Å; C107-T109 VanDerWaalsContact C-N 3.33Å; C107-T109 PolarHBondContact O-N 2.99Å; T109-V120 HydrophobicContact CG2-CG1 3.37Å
110	V	98.1	Very high	98	Very high	60 Å²	60	35 Å²	35	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-95.5	-43.8	-173.9	178.1	0	0	0	0	112.3	Q106 R167 F171 I208	Q106-V110 HydrophobicContact CG-CG2 3.88Å; Q106-V110 VanDerWaalsContact O-CB 3.27Å; Q106-V110 WeakPolarHBondContact O-CB 3.35Å; Q106-V110 WeakPolarHBondContact O-CG2 3.49Å; Q106-V110 PolarHBondContact O-N 2.78Å; V110-R167 PolarHBondContact O-NH2 2.63Å; V110-F171 HydrophobicContact CG1-CD1 3.72Å; V110-F171 HydrophobicContact CG1-CE1 3.57Å; V110-I208 HydrophobicContact CB-CD1 3.81Å; V110-I208 HydrophobicContact CG1-CD1 3.73Å
111	A	98	Very high	98	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-30.9	-179.8	0	0	0	0	0	112.7	C107 R167 F171 I173	C107-A111 WeakPolarHBondContact O-CB 3.49Å; C107-A111 PolarHBondContact O-N 2.75Å; A111-R167 PolarHBondContact O-NE 2.87Å; A111-R167 PolarHBondContact O-NH2 3.43Å; A111-F171 HydrophobicContact CB-CD2 4.22Å; A111-F171 HydrophobicContact CB-CG 4.2Å; A111-I173 HydrophobicContact CB-CD1 3.7Å
112	G	98	Very high	97.9	Very high	12 Å²	12	42.3 Å²	42.3	12%	0.124	24%	0.238	C	C	.	.			trans	-75.6	172.7	-177	0	0	0	0	0	116.4	C107 L108 M118	C107-G112 PolarHBondContact O-N 2.66Å; C107-G112 VanDerWaalsContact O-N 3.13Å; L108-G112 WeakPolarHBondContact O-CA 3.21Å; G112-M118 WeakPolarHBondContact CA-O 3.22Å
113	G	97.6	Very high	97.9	Very high	62 Å²	62	42.4 Å²	42.4	64%	0.639	24%	0.236	S	C	*	.	S	Bend	trans	91	-6.8	177.7	0	0	0	0	0	115	V117	G113-V117 PolarHBondContact N-O 2.93Å
114	Q	97.4	Very high	97.9	Very high	97 Å²	97	43.2 Å²	43.2	45%	0.453	24%	0.239	S	C	.	.	S	Bend	trans	-147.5	170.8	-179.5	58.4	174.6	96	0	0	111	N116 V117 R167	Q114-N116 VanDerWaalsContact C-N 3.26Å; Q114-N116 PolarHBondContact O-N 2.9Å; Q114-N116 VanDerWaalsContact O-N 3.16Å; Q114-V117 WeakPolarHBondContact O-CB 3.21Å; Q114-V117 PolarHBondContact O-N 2.83Å; Q114-R167 VanDerWaalsContact CD-NH2 3.28Å
115	D	98.1	Very high	97.9	Very high	74 Å²	74	50.6 Å²	50.6	40%	0.396	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	39.5	172.9	-49.4	-43.9	0	0	0	114.2	V117 K163 A164 R167	D115-V117 PolarHBondContact O-N 2.67Å; D115-K163 CarbonylContact O-C 3.6Å; D115-A164 WeakPolarHBondContact O-CA 3.32Å; D115-A164 PolarHBondContact O-N 3.43Å; D115-R167 HydrophobicContact CB-CB 3.76Å; D115-R167 HydrophobicContact CB-CG 3.95Å; D115-R167 WeakPolarHBondContact OD2-CD 3.5Å; D115-R167 IonicContact OD2-NE 3.9Å; D115-R167 IonicContact OD2-NH1 2.65Å
116	N	98.6	Very high	97.9	Very high	37 Å²	37	52.2 Å²	52.2	20%	0.198	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	23.6	-174.9	-52.8	-40.9	0	0	0	114.8	Q114 N160 A164 A193 L194	Q114-N116 VanDerWaalsContact C-N 3.26Å; Q114-N116 PolarHBondContact O-N 2.9Å; Q114-N116 VanDerWaalsContact O-N 3.16Å; N116-N160 WeakPolarHBondContact ND2-CA 3.22Å; N116-N160 VanDerWaalsContact ND2-CB 3.32Å; N116-N160 WeakPolarHBondContact ND2-CB 3.47Å; N116-N160 PolarHBondContact ND2-O 3.21Å; N116-N160 VanDerWaalsContact ND2-O 3.11Å; N116-N160 PolarHBondContact ND2-OD1 2.82Å; N116-A164 HydrophobicContact CB-CB 4.12Å; N116-A193 CarbonylContact O-C 3.44Å; N116-A193 VanDerWaalsContact O-CA 3.32Å; N116-A193 WeakPolarHBondContact O-CA 3.47Å; N116-L194 PolarHBondContact O-N 2.9Å
117	V	98.8	Very high	97.9	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.036	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-102.4	127.7	172.1	-172.4	0	0	0	0	109.9	G113 Q114 D115 G119 A164 R167 I168 F197	G113-V117 PolarHBondContact N-O 2.93Å; Q114-V117 WeakPolarHBondContact O-CB 3.21Å; Q114-V117 PolarHBondContact O-N 2.83Å; D115-V117 PolarHBondContact O-N 2.67Å; V117-G119 PolarHBondContact O-N 2.94Å; V117-A164 HydrophobicContact CG2-CB 4.09Å; V117-R167 HydrophobicContact CG2-CB 3.89Å; V117-R167 HydrophobicContact CG2-CG 3.64Å; V117-I168 HydrophobicContact CG1-CG2 3.96Å; V117-I168 HydrophobicContact CG2-CG2 3.81Å; V117-F197 HydrophobicContact CG1-CE2 3.86Å; V117-F197 HydrophobicContact CG1-CZ 3.56Å
118	M	98.6	Very high	97.8	Very high	16 Å²	16	59.7 Å²	59.7	8%	0.079	31%	0.313	C	S	.	.			trans	-59.9	131.5	-179.8	-176.9	60.3	79.9	0	0	111.6	L108 G112 M134 P135 L184 A193 L194 V195	L108-M118 HydrophobicContact CD2-CB 4.35Å; L108-M118 HydrophobicContact CD2-CG 4.39Å; L108-M118 WeakPolarHBondContact CD2-O 3.42Å; G112-M118 WeakPolarHBondContact CA-O 3.22Å; M118-M134 HydrophobicContact CG-CB 4.35Å; M118-M134 HydrophobicContact CG-CG 4.36Å; M118-M134 HydrophobicContact CG-SD 3.91Å; M118-M134 HydrophobicContact SD-CB 4.14Å; M118-P135 HydrophobicContact SD-CG 4.5Å; M118-L184 HydrophobicContact CE-CD1 4.2Å; M118-A193 HydrophobicContact CE-CB 3.88Å; M118-L194 VanDerWaalsContact CB-O 3.22Å; M118-L194 WeakPolarHBondContact CB-O 3.28Å; M118-L194 PolarHBondContact N-O 2.95Å; M118-V195 HydrophobicContact CB-CG1 3.67Å; M118-V195 HydrophobicContact CE-CG1 3.8Å; M118-V195 HydrophobicContact CG-CG1 3.95Å
119	G	98.1	Very high	97.7	Very high	11 Å²	11	61.5 Å²	61.5	11%	0.113	32%	0.322	C	S	.	.			trans	-96.2	174.2	171.1	0	0	0	0	0	112.3	V117	V117-G119 PolarHBondContact O-N 2.94Å
120	V	98	Very high	97.8	Very high	33 Å²	33	57.7 Å²	57.7	20%	0.2	30%	0.298	C	S	.	.			trans	-113.8	142.3	174	57.3	0	0	0	0	110.6	L105 L108 T109 Y122 I132	L105-V120 HydrophobicContact CD1-CB 4.36Å; L105-V120 HydrophobicContact CD1-CG1 4.06Å; L105-V120 HydrophobicContact CD1-CG2 3.9Å; L108-V120 HydrophobicContact CB-CB 4.02Å; L108-V120 HydrophobicContact CB-CG1 3.93Å; L108-V120 HydrophobicContact CD1-CB 4.44Å; T109-V120 HydrophobicContact CG2-CG1 3.37Å; V120-Y122 VanDerWaalsContact CG2-O 3.31Å; V120-Y122 WeakPolarHBondContact CG2-O 3.5Å; V120-I132 HydrophobicContact CB-CG2 4.31Å; V120-I132 HydrophobicContact CG2-CG2 3.59Å
121	K	95.8	Very high	97.8	Very high	95 Å²	95	54.8 Å²	54.8	41%	0.413	28%	0.281	S	S	.	.	S	Bend	trans	-91.9	-45.5	170.2	-63.9	-148.6	177.3	-154.5	0	112.1	E85 I87 A133 P135	E85-K121 WeakPolarHBondContact OE1-CE 3.25Å; E85-K121 IonicContact OE1-NZ 2.61Å; E85-K121 PolarHBondContact OE1-NZ 3.08Å; E85-K121 IonicContact OE2-NZ 3.54Å; E85-K121 PolarHBondContact OE2-NZ 3.11Å; I87-K121 HydrophobicContact CD1-CD 4.01Å; K121-A133 PolarHBondContact N-O 3.32Å; K121-P135 HydrophobicContact CG-CG 4.17Å
122	Y	96.4	Very high	97.8	Very high	151 Å²	151	54.8 Å²	54.8	59%	0.592	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-158.2	168.7	-179.2	-148.8	-106.4	0	0	0	112	V120 F124 A133	V120-Y122 VanDerWaalsContact CG2-O 3.31Å; V120-Y122 WeakPolarHBondContact CG2-O 3.5Å; Y122-F124 HydrophobicContact CD1-CD1 4.3Å; Y122-F124 HydrophobicContact CD1-CD2 4.11Å; Y122-F124 AromaticContact CD1-CE1 3.89Å; Y122-F124 HydrophobicContact CD1-CE1 3.89Å; Y122-F124 AromaticContact CD1-CE2 3.65Å; Y122-F124 HydrophobicContact CD1-CE2 3.65Å; Y122-F124 HydrophobicContact CD1-CG 4.4Å; Y122-F124 AromaticContact CD1-CZ 3.52Å; Y122-F124 HydrophobicContact CD1-CZ 3.52Å; Y122-F124 HydrophobicContact CE1-CD1 4.48Å; Y122-F124 HydrophobicContact CE1-CE1 4.14Å; Y122-F124 HydrophobicContact CE1-CZ 4.21Å; Y122-F124 HydrophobicContact CG-CE2 4.31Å; Y122-F124 HydrophobicContact CG-CZ 4.33Å; Y122-A133 PolarHBondContact N-O 3.48Å; Y122-A133 PolarHBondContact O-N 3.18Å
123	C	97.9	Very high	97.8	Very high	40 Å²	40	54.3 Å²	54.3	27%	0.27	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.4	174.8	-173.4	0	0	0	0	109.9	L105	L105-C123 HydrophobicContact CD1-CB 4.15Å; L105-C123 HydrophobicContact CD2-CB 4.08Å
124	F	98.2	Very high	97.8	Very high	18 Å²	18	52.1 Å²	52.1	8%	0.079	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.8	178.5	-60.3	-94.1	0	0	0	109.4	V51 Q53 L54 F58 Y122 V130 V131 A133	V51-F124 HydrophobicContact CG1-CB 3.89Å; Q53-F124 HydrophobicContact CB-CD1 4.09Å; L54-F124 HydrophobicContact CD2-CB 4.23Å; L54-F124 HydrophobicContact CD2-CD1 4.35Å; L54-F124 HydrophobicContact CD2-CD2 3.83Å; L54-F124 HydrophobicContact CD2-CE2 4.32Å; L54-F124 HydrophobicContact CD2-CG 3.87Å; F58-F124 HydrophobicContact CE2-CD2 4.23Å; F58-F124 HydrophobicContact CE2-CE1 4.38Å; F58-F124 AromaticContact CE2-CE2 3.42Å; F58-F124 HydrophobicContact CE2-CE2 3.42Å; F58-F124 VanDerWaalsContact CE2-CE2 3.42Å; F58-F124 AromaticContact CE2-CZ 3.52Å; F58-F124 HydrophobicContact CE2-CZ 3.52Å; F58-F124 AromaticContact CZ-CE2 3.72Å; F58-F124 HydrophobicContact CZ-CE2 3.72Å; F58-F124 AromaticContact CZ-CZ 3.93Å; F58-F124 HydrophobicContact CZ-CZ 3.93Å; Y122-F124 HydrophobicContact CD1-CD1 4.3Å; Y122-F124 HydrophobicContact CD1-CD2 4.11Å; Y122-F124 AromaticContact CD1-CE1 3.89Å; Y122-F124 HydrophobicContact CD1-CE1 3.89Å; Y122-F124 AromaticContact CD1-CE2 3.65Å; Y122-F124 HydrophobicContact CD1-CE2 3.65Å; Y122-F124 HydrophobicContact CD1-CG 4.4Å; Y122-F124 AromaticContact CD1-CZ 3.52Å; Y122-F124 HydrophobicContact CD1-CZ 3.52Å; Y122-F124 HydrophobicContact CE1-CD1 4.48Å; Y122-F124 HydrophobicContact CE1-CE1 4.14Å; Y122-F124 HydrophobicContact CE1-CZ 4.21Å; Y122-F124 HydrophobicContact CG-CE2 4.31Å; Y122-F124 HydrophobicContact CG-CZ 4.33Å; F124-V130 WeakPolarHBondContact O-CA 3.39Å; F124-V131 HydrophobicContact CB-CB 4.48Å; F124-V131 PolarHBondContact N-O 3.11Å; F124-V131 PolarHBondContact O-N 3.02Å; F124-A133 HydrophobicContact CE2-CB 4.15Å
125	R	97.9	Very high	97.8	Very high	167 Å²	167	49.6 Å²	49.6	63%	0.63	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140	136.2	176.8	-174.2	173.3	80.9	92.9	-2.8	111.9	N127 H129 V130	R125-N127 WeakPolarHBondContact CG-O 3.24Å; R125-N127 PolarHBondContact NH1-O 2.92Å; R125-H129 WeakPolarHBondContact CA-O 3.49Å; R125-V130 HydrophobicContact CB-CG2 4.17Å; R125-V130 HydrophobicContact CG-CG2 3.69Å
126	K	97.9	Very high	97.7	Very high	81 Å²	81	47.9 Å²	47.9	35%	0.352	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	118	161	174.7	174.1	147	-154.4	0	107.4	E49 A50 P52 D128 H129	E49-K126 PolarHBondContact O-NZ 3.17Å; A50-K126 VanDerWaalsContact O-CD 3.24Å; A50-K126 WeakPolarHBondContact O-CD 2.97Å; P52-K126 HydrophobicContact CG-CD 4.3Å; K126-D128 PolarHBondContact O-N 2.97Å; K126-H129 PolarHBondContact N-O 2.98Å; K126-H129 WeakPolarHBondContact O-CB 3.3Å; K126-H129 PolarHBondContact O-N 2.9Å
127	N	96.8	Very high	97.6	Very high	117 Å²	117	47.3 Å²	47.3	63%	0.626	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	-122.2	-173.9	-55.8	-18.9	0	0	0	112.1	R125	R125-N127 WeakPolarHBondContact CG-O 3.24Å; R125-N127 PolarHBondContact NH1-O 2.92Å
128	D	96.6	Very high	97.5	Very high	85 Å²	85	51.7 Å²	51.7	46%	0.455	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-16	177.1	55.2	-31.3	0	0	0	113.7	P94 K126	P94-D128 HydrophobicContact CB-CB 3.98Å; P94-D128 VanDerWaalsContact CB-OD2 3.23Å; P94-D128 WeakPolarHBondContact CB-OD2 3.48Å; K126-D128 PolarHBondContact O-N 2.97Å
129	H	97.9	Very high	97.2	Very high	43 Å²	43	52.3 Å²	52.3	20%	0.199	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	119.8	175.4	-69.5	-94.5	0	0	0	111.5	A50 V51 H91 P94 R125 K126	A50-H129 HydrophobicContact CB-CB 4.34Å; V51-H129 HydrophobicContact CG2-CB 3.76Å; H91-H129 AromaticContact NE2-CE1 3.54Å; H91-H129 AromaticContact NE2-ND1 3.3Å; H91-H129 PolarHBondContact NE2-ND1 2.83Å; P94-H129 VanDerWaalsContact CG-CE1 3.5Å; P94-H129 WeakPolarHBondContact CG-CE1 3.24Å; R125-H129 WeakPolarHBondContact CA-O 3.49Å; K126-H129 PolarHBondContact N-O 2.98Å; K126-H129 WeakPolarHBondContact O-CB 3.3Å; K126-H129 PolarHBondContact O-N 2.9Å
130	V	98.5	Very high	96.8	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.036	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.2	177.6	176.3	0	0	0	0	110.4	L92 I101 F124 R125	L92-V130 HydrophobicContact CD1-CB 4.36Å; L92-V130 HydrophobicContact CD1-CG1 4.12Å; L92-V130 PolarHBondContact N-O 2.78Å; I101-V130 HydrophobicContact CD1-CB 4.47Å; I101-V130 HydrophobicContact CD1-CG2 4.06Å; I101-V130 HydrophobicContact CG2-CB 4.25Å; I101-V130 HydrophobicContact CG2-CG1 3.81Å; I101-V130 HydrophobicContact CG2-CG2 4.16Å; F124-V130 WeakPolarHBondContact O-CA 3.39Å; R125-V130 HydrophobicContact CB-CG2 4.17Å; R125-V130 HydrophobicContact CG-CG2 3.69Å
131	V	98.6	Very high	96.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	114.2	-178.4	-179.2	0	0	0	0	109.6	L47 V51 L54 L89 K90 H91 F124	L47-V131 HydrophobicContact CD1-CG2 3.79Å; V51-V131 HydrophobicContact CG2-CG2 3.94Å; L54-V131 HydrophobicContact CD1-CB 4.49Å; L54-V131 HydrophobicContact CD1-CG1 4.21Å; L54-V131 HydrophobicContact CD1-CG2 4.2Å; L54-V131 HydrophobicContact CD2-CG1 4.28Å; L89-V131 HydrophobicContact CB-CG1 3.96Å; L89-V131 HydrophobicContact CD2-CG1 4.24Å; K90-V131 WeakPolarHBondContact O-CA 3Å; H91-V131 HydrophobicContact CB-CG2 4.08Å; F124-V131 HydrophobicContact CB-CB 4.48Å; F124-V131 PolarHBondContact N-O 3.11Å; F124-V131 PolarHBondContact O-N 3.02Å
132	I	98.6	Very high	96.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.5	177.7	-54	-179.9	0	0	0	108.4	K90 L92 E104 L105 L108 V120 M134	K90-I132 HydrophobicContact CB-CB 4.46Å; K90-I132 PolarHBondContact N-O 3.29Å; K90-I132 PolarHBondContact O-N 2.96Å; L92-I132 HydrophobicContact CD1-CD1 4.16Å; E104-I132 HydrophobicContact CG-CD1 4.41Å; L105-I132 HydrophobicContact CD1-CG2 4.46Å; L108-I132 HydrophobicContact CD1-CD1 4.19Å; L108-I132 HydrophobicContact CD1-CG2 3.95Å; V120-I132 HydrophobicContact CB-CG2 4.31Å; V120-I132 HydrophobicContact CG2-CG2 3.59Å; I132-M134 HydrophobicContact CG2-CG 3.95Å; I132-M134 HydrophobicContact CG2-SD 4.33Å
133	A	98	Very high	96.5	Very high	2 Å²	2	47.9 Å²	47.9	2%	0.017	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.7	177.2	0	0	0	0	0	110.3	F58 I87 L89 K121 Y122 F124	F58-A133 HydrophobicContact CZ-CB 4.2Å; I87-A133 HydrophobicContact CG2-CB 4.07Å; L89-A133 HydrophobicContact CD2-CB 3.74Å; K121-A133 PolarHBondContact N-O 3.32Å; Y122-A133 PolarHBondContact N-O 3.48Å; Y122-A133 PolarHBondContact O-N 3.18Å; F124-A133 HydrophobicContact CE2-CB 4.15Å
134	M	97.8	Very high	96.2	Very high	15 Å²	15	51.1 Å²	51.1	7%	0.074	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	155.9	-175.7	-61.4	170.5	-68.2	0	0	110.6	A88 K90 L108 M118 I132 Y136	A88-M134 HydrophobicContact CB-CB 4.49Å; A88-M134 PolarHBondContact N-O 2.99Å; A88-M134 PolarHBondContact O-N 3.39Å; K90-M134 HydrophobicContact CB-CE 3.57Å; K90-M134 HydrophobicContact CD-CE 4.31Å; L108-M134 HydrophobicContact CD1-SD 4.32Å; M118-M134 HydrophobicContact CG-CB 4.35Å; M118-M134 HydrophobicContact CG-CG 4.36Å; M118-M134 HydrophobicContact CG-SD 3.91Å; M118-M134 HydrophobicContact SD-CB 4.14Å; I132-M134 HydrophobicContact CG2-CG 3.95Å; I132-M134 HydrophobicContact CG2-SD 4.33Å; M134-Y136 PolarHBondContact O-N 2.88Å
135	P	96.3	Very high	96	Very high	45 Å²	45	50.5 Å²	50.5	29%	0.292	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	131.6	169.4	-17.9	29.6	0	0	0	110.5	M118 K121 L137	M118-P135 HydrophobicContact SD-CG 4.5Å; K121-P135 HydrophobicContact CG-CG 4.17Å; P135-L137 PolarHBondContact O-N 3.5Å
136	Y	97.5	Very high	95.9	Very high	37 Å²	37	42.7 Å²	42.7	15%	0.145	22%	0.219	C	C	.	.			trans	-77.4	117.8	172.7	176.5	-102.6	0	0	0	110.3	I64 L74 K86 M134 E138 N293	I64-Y136 HydrophobicContact CD1-CD2 3.94Å; I64-Y136 HydrophobicContact CD1-CE2 3.71Å; L74-Y136 HydrophobicContact CD1-CD1 4.12Å; L74-Y136 HydrophobicContact CD1-CD2 3.75Å; L74-Y136 HydrophobicContact CD1-CE1 4.34Å; L74-Y136 HydrophobicContact CD1-CE2 4.02Å; L74-Y136 HydrophobicContact CD1-CG 3.8Å; K86-Y136 VanDerWaalsContact C-CB 3.48Å; K86-Y136 HydrophobicContact CB-CD1 3.67Å; K86-Y136 HydrophobicContact CB-CG 3.96Å; K86-Y136 HydrophobicContact CD-CD1 3.58Å; K86-Y136 HydrophobicContact CD-CE1 3.81Å; K86-Y136 HydrophobicContact CG-CD1 4.26Å; K86-Y136 VanDerWaalsContact O-CB 3.25Å; K86-Y136 WeakPolarHBondContact O-CB 3.26Å; K86-Y136 PolarHBondContact O-N 3.43Å; M134-Y136 PolarHBondContact O-N 2.88Å; Y136-E138 HydrophobicContact CD1-CB 4.43Å; Y136-E138 HydrophobicContact CE1-CB 3.64Å; Y136-E138 HydrophobicContact CE1-CG 4.08Å; Y136-N293 PolarHBondContact OH-ND2 3.11Å
137	L	96.6	Very high	95.6	Very high	26 Å²	26	43.1 Å²	43.1	14%	0.136	23%	0.225	C	C	.	.			trans	-96	111.7	163.6	-178.6	56.8	0	0	0	108.7	P135 H139 L184 N186 K191 A193	P135-L137 PolarHBondContact O-N 3.5Å; L137-H139 PolarHBondContact O-N 2.91Å; L137-H139 PolarHBondContact O-ND1 3.46Å; L137-L184 HydrophobicContact CB-CD1 4.3Å; L137-L184 HydrophobicContact CD2-CB 4.01Å; L137-N186 HydrophobicContact CD1-CB 4.07Å; L137-K191 HydrophobicContact CD1-CB 3.88Å; L137-K191 HydrophobicContact CD1-CD 4.44Å; L137-K191 HydrophobicContact CD2-CB 4.4Å; L137-A193 HydrophobicContact CD2-CB 3.87Å
138	E	95.3	Very high	95.5	Very high	98 Å²	98	38.1 Å²	38.1	46%	0.458	20%	0.199	S	C	.	.			trans	-60.9	131.1	165.2	-160.9	157.4	135.6	0	0	108.4	K86 Y136 N186	K86-E138 IonicContact NZ-OE2 3.53Å; K86-E138 PolarHBondContact NZ-OE2 3.43Å; Y136-E138 HydrophobicContact CD1-CB 4.43Å; Y136-E138 HydrophobicContact CE1-CB 3.64Å; Y136-E138 HydrophobicContact CE1-CG 4.08Å; E138-N186 VanDerWaalsContact O-CB 3.28Å; E138-N186 WeakPolarHBondContact O-CB 3.35Å; E138-N186 PolarHBondContact O-ND2 3.06Å
139	H	93.6	Very high	95.4	Very high	28 Å²	28	34 Å²	34	13%	0.13	18%	0.177	C	C	.	.			trans	-149.3	153.6	-168.5	59.7	-93	0	0	0	111.7	L137 L184 Y185 N293	L137-H139 PolarHBondContact O-N 2.91Å; L137-H139 PolarHBondContact O-ND1 3.46Å; H139-L184 HydrophobicContact CB-CB 4.07Å; H139-Y185 CarbonylContact C-O 3.47Å; H139-Y185 VanDerWaalsContact CA-O 3.28Å; H139-Y185 WeakPolarHBondContact CA-O 3.38Å; H139-Y185 WeakPolarHBondContact CB-O 3.49Å; H139-N293 PolarHBondContact CE1-ND2 3.19Å; H139-N293 PolarHBondContact NE2-ND2 3.12Å
140	E	89.8	Confident	95.3	Very high	51 Å²	51	32.4 Å²	32.4	24%	0.238	17%	0.17	C	C	.	.			trans	-76.8	149.8	179.7	-52.3	-52.7	149.8	0	0	112	F142 I145 Y185 R187	E140-F142 PolarHBondContact O-N 2.86Å; E140-I145 HydrophobicContact CB-CD1 3.82Å; E140-I145 HydrophobicContact CB-CG1 4.34Å; E140-I145 HydrophobicContact CB-CG2 3.75Å; E140-I145 HydrophobicContact CG-CD1 4.31Å; E140-I145 HydrophobicContact CG-CG2 3.98Å; E140-Y185 PolarHBondContact N-O 3.36Å; E140-R187 HydrophobicContact CG-CB 3.96Å
141	S	93.8	Very high	95.2	Very high	36 Å²	36	32.6 Å²	32.6	25%	0.252	17%	0.171	S	C	.	.			trans	-73.3	116.5	163.5	167.2	0	0	0	0	109.3	L143 D144 I145	S141-L143 PolarHBondContact O-N 3.05Å; S141-L143 VanDerWaalsContact O-N 3.14Å; S141-D144 WeakPolarHBondContact CB-OD2 3.37Å; S141-D144 PolarHBondContact O-N 3.24Å; S141-D144 VanDerWaalsContact OG-CG 3.31Å; S141-D144 PolarHBondContact OG-OD2 3.49Å; S141-I145 PolarHBondContact O-N 2.9Å
142	F	94.1	Very high	95	Very high	14 Å²	14	36.2 Å²	36.2	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-53.7	-36.7	-176.9	-178.3	-95.6	0	0	0	113.3	E140 L146 Y157 P180 I403 L407 Y412	E140-F142 PolarHBondContact O-N 2.86Å; F142-L146 HydrophobicContact CE1-CD1 3.89Å; F142-L146 HydrophobicContact CE1-CD2 4.48Å; F142-L146 HydrophobicContact CZ-CD1 3.94Å; F142-L146 WeakPolarHBondContact O-CB 3.27Å; F142-L146 PolarHBondContact O-N 3.36Å; F142-L146 VanDerWaalsContact O-N 3.1Å; F142-Y157 HydrophobicContact CD2-CE2 4.42Å; F142-Y157 HydrophobicContact CE2-CE2 4.49Å; F142-P180 HydrophobicContact CB-CB 3.66Å; F142-P180 HydrophobicContact CD1-CB 3.81Å; F142-P180 HydrophobicContact CD1-CG 3.83Å; F142-P180 HydrophobicContact CD2-CB 3.56Å; F142-P180 HydrophobicContact CD2-CG 3.96Å; F142-P180 HydrophobicContact CE1-CB 4.31Å; F142-P180 HydrophobicContact CE1-CG 3.85Å; F142-P180 HydrophobicContact CE2-CB 4.06Å; F142-P180 HydrophobicContact CE2-CG 3.95Å; F142-P180 HydrophobicContact CG-CB 3.4Å; F142-P180 HydrophobicContact CG-CG 3.88Å; F142-P180 HydrophobicContact CZ-CB 4.42Å; F142-P180 HydrophobicContact CZ-CG 3.9Å; F142-I403 HydrophobicContact CE2-CG2 4.28Å; F142-I403 HydrophobicContact CZ-CG2 4.32Å; F142-L407 HydrophobicContact CE2-CD2 3.54Å; F142-L407 HydrophobicContact CE2-CG 3.96Å; F142-L407 HydrophobicContact CZ-CD2 3.68Å; F142-L407 HydrophobicContact CZ-CG 3.87Å; F142-Y412 AromaticContact CD1-CD1 3.98Å; F142-Y412 HydrophobicContact CD1-CD1 3.98Å; F142-Y412 AromaticContact CD1-CD2 3.73Å; F142-Y412 HydrophobicContact CD1-CD2 3.73Å; F142-Y412 HydrophobicContact CD1-CE1 4.23Å; F142-Y412 AromaticContact CD1-CE2 3.99Å; F142-Y412 HydrophobicContact CD1-CE2 3.99Å; F142-Y412 AromaticContact CD1-CG 3.71Å; F142-Y412 HydrophobicContact CD1-CG 3.71Å; F142-Y412 HydrophobicContact CE1-CD1 4.44Å; F142-Y412 AromaticContact CE1-CD2 3.5Å; F142-Y412 HydrophobicContact CE1-CD2 3.5Å; F142-Y412 HydrophobicContact CE1-CE2 4.06Å; F142-Y412 AromaticContact CE1-CG 3.72Å; F142-Y412 HydrophobicContact CE1-CG 3.72Å
143	L	94.1	Very high	95	Very high	97 Å²	97	37 Å²	37	51%	0.508	19%	0.192	S	C	.	.	H	α-helix	trans	-66.6	-38.4	179.3	-179.8	61.4	0	0	0	112	S141 Y412	S141-L143 PolarHBondContact O-N 3.05Å; S141-L143 VanDerWaalsContact O-N 3.14Å; L143-Y412 HydrophobicContact CB-CD1 4.39Å; L143-Y412 HydrophobicContact CD1-CD1 4.37Å
144	D	93.1	Very high	95	Very high	108 Å²	108	37 Å²	37	58%	0.578	19%	0.191	S	C	*	.	H	α-helix	trans	-77.8	-30.6	-173.5	-56.1	-33.6	0	0	0	111.4	S141	S141-D144 WeakPolarHBondContact CB-OD2 3.37Å; S141-D144 PolarHBondContact O-N 3.24Å; S141-D144 VanDerWaalsContact OG-CG 3.31Å; S141-D144 PolarHBondContact OG-OD2 3.49Å
145	I	93.6	Very high	95	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-86.9	-16.7	173.8	63	169.6	0	0	0	114.3	E140 S141 N147 S148 L149 Y185	E140-I145 HydrophobicContact CB-CD1 3.82Å; E140-I145 HydrophobicContact CB-CG1 4.34Å; E140-I145 HydrophobicContact CB-CG2 3.75Å; E140-I145 HydrophobicContact CG-CD1 4.31Å; E140-I145 HydrophobicContact CG-CG2 3.98Å; S141-I145 PolarHBondContact O-N 2.9Å; I145-N147 PolarHBondContact O-N 2.88Å; I145-S148 PolarHBondContact O-N 3.16Å; I145-S148 PolarHBondContact O-OG 3.24Å; I145-L149 HydrophobicContact CB-CG 4.31Å; I145-L149 HydrophobicContact CD1-CD1 4.12Å; I145-L149 HydrophobicContact CD1-CD2 4.24Å; I145-L149 HydrophobicContact CD1-CG 4.37Å; I145-L149 HydrophobicContact CG1-CD1 4.32Å; I145-L149 HydrophobicContact CG1-CG 4.44Å; I145-L149 WeakPolarHBondContact O-CG 3.18Å; I145-L149 PolarHBondContact O-N 2.96Å; I145-Y185 HydrophobicContact CD1-CD1 3.67Å; I145-Y185 HydrophobicContact CD1-CE1 3.96Å
146	L	94.6	Very high	95.1	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-37.8	-167.9	-176.3	57.7	0	0	0	114.6	F142 L407	F142-L146 HydrophobicContact CE1-CD1 3.89Å; F142-L146 HydrophobicContact CE1-CD2 4.48Å; F142-L146 HydrophobicContact CZ-CD1 3.94Å; F142-L146 WeakPolarHBondContact O-CB 3.27Å; F142-L146 PolarHBondContact O-N 3.36Å; F142-L146 VanDerWaalsContact O-N 3.1Å; L146-L407 HydrophobicContact CD1-CD2 4.05Å
147	N	92.8	Very high	95.1	Very high	91 Å²	91	36.3 Å²	36.3	49%	0.487	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	3.3	-178.2	-64.8	-38.6	0	0	0	113.6	I145	I145-N147 PolarHBondContact O-N 2.88Å
148	S	94.1	Very high	95.2	Very high	11 Å²	11	35 Å²	35	8%	0.077	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-3	177	70.9	0	0	0	0	114	I145 R187	I145-S148 PolarHBondContact O-N 3.16Å; I145-S148 PolarHBondContact O-OG 3.24Å; S148-R187 PolarHBondContact O-NH1 2.8Å; S148-R187 VanDerWaalsContact O-NH1 3.17Å; S148-R187 PolarHBondContact O-NH2 2.84Å; S148-R187 PolarHBondContact OG-NH1 2.81Å
149	L	94.9	Very high	95.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.			trans	-70.9	134.3	169.8	-70.8	170.8	0	0	0	111.1	I145 E153 V154 Y185 L407 N531 W535	I145-L149 HydrophobicContact CB-CG 4.31Å; I145-L149 HydrophobicContact CD1-CD1 4.12Å; I145-L149 HydrophobicContact CD1-CD2 4.24Å; I145-L149 HydrophobicContact CD1-CG 4.37Å; I145-L149 HydrophobicContact CG1-CD1 4.32Å; I145-L149 HydrophobicContact CG1-CG 4.44Å; I145-L149 WeakPolarHBondContact O-CG 3.18Å; I145-L149 PolarHBondContact O-N 2.96Å; L149-E153 HydrophobicContact CB-CB 4.47Å; L149-E153 HydrophobicContact CD2-CB 3.9Å; L149-V154 HydrophobicContact CB-CG2 4.42Å; L149-Y185 HydrophobicContact CD2-CE1 3.89Å; L149-L407 HydrophobicContact CD1-CD2 3.89Å; L149-N531 CarbonylContact C-O 3.4Å; L149-W535 PolarHBondContact O-NE1 3.36Å
150	S	95.9	Very high	95.6	Very high	8 Å²	8	30.9 Å²	30.9	6%	0.056	16%	0.158	C	C	.	.			trans	-73.6	162.6	167.3	84.4	0	0	0	0	110.5	Q152 E153 V154 N531	S150-Q152 VanDerWaalsContact C-N 3.26Å; S150-Q152 PolarHBondContact O-N 2.95Å; S150-E153 PolarHBondContact N-OE2 3.44Å; S150-E153 VanDerWaalsContact N-OE2 3.08Å; S150-E153 PolarHBondContact O-N 3.38Å; S150-E153 VanDerWaalsContact O-N 3.1Å; S150-V154 PolarHBondContact O-N 2.9Å; S150-N531 WeakPolarHBondContact CA-O 3.47Å; S150-N531 PolarHBondContact N-O 3.21Å
151	F	95.6	Very high	96.1	Very high	11 Å²	11	28.4 Å²	28.4	5%	0.048	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-33.9	-179.4	-173.4	-103.4	0	0	0	112.9	E153 V154 R155 L408 E533 W535 V538 P539 A542 F568	F151-E153 VanDerWaalsContact C-N 3.3Å; F151-E153 PolarHBondContact O-N 2.95Å; F151-V154 WeakPolarHBondContact O-CB 3.44Å; F151-V154 PolarHBondContact O-N 2.86Å; F151-R155 HydrophobicContact CE1-CG 4.18Å; F151-R155 PolarHBondContact O-N 2.57Å; F151-R155 VanDerWaalsContact O-N 3.17Å; F151-L408 HydrophobicContact CE2-CD2 3.84Å; F151-E533 PolarHBondContact N-O 2.97Å; F151-W535 HydrophobicContact CB-CD2 4.4Å; F151-W535 HydrophobicContact CD2-CD2 4.35Å; F151-W535 HydrophobicContact CD2-CE3 4.03Å; F151-W535 HydrophobicContact CD2-CH2 4.01Å; F151-W535 HydrophobicContact CD2-CZ2 4.37Å; F151-W535 AromaticContact CD2-CZ3 3.85Å; F151-W535 HydrophobicContact CD2-CZ3 3.85Å; F151-W535 HydrophobicContact CE2-CZ3 4.34Å; F151-V538 HydrophobicContact CD2-CG2 3.99Å; F151-V538 HydrophobicContact CE2-CB 4.27Å; F151-V538 HydrophobicContact CE2-CG1 3.64Å; F151-V538 HydrophobicContact CE2-CG2 3.88Å; F151-V538 HydrophobicContact CZ-CB 4.47Å; F151-V538 HydrophobicContact CZ-CG1 3.74Å; F151-V538 HydrophobicContact CZ-CG2 4.5Å; F151-P539 VanDerWaalsContact CE1-CD 3.41Å; F151-P539 HydrophobicContact CE1-CG 3.83Å; F151-P539 HydrophobicContact CZ-CG 4.09Å; F151-A542 HydrophobicContact CZ-CB 3.98Å; F151-F568 HydrophobicContact CE1-CE2 4.16Å; F151-F568 AromaticContact CZ-CE2 3.74Å; F151-F568 HydrophobicContact CZ-CE2 3.74Å; F151-F568 HydrophobicContact CZ-CZ 4.25Å
152	Q	96.1	Very high	96.3	Very high	76 Å²	76	26.7 Å²	26.7	36%	0.355	14%	0.135	S	C	.	.	H	α-helix	trans	-64.8	-34.5	175.2	178	56.2	27	0	0	111.9	S150 V154 R155 E156	S150-Q152 VanDerWaalsContact C-N 3.26Å; S150-Q152 PolarHBondContact O-N 2.95Å; Q152-V154 VanDerWaalsContact C-N 3.32Å; Q152-V154 PolarHBondContact O-N 2.86Å; Q152-R155 WeakPolarHBondContact O-CB 3.22Å; Q152-R155 PolarHBondContact O-N 3.46Å; Q152-E156 PolarHBondContact NE2-OE1 3.17Å; Q152-E156 WeakPolarHBondContact O-CG 3.41Å; Q152-E156 PolarHBondContact O-N 3.33Å
153	E	97.1	Very high	96.5	Very high	17 Å²	17	28.4 Å²	28.4	8%	0.079	14%	0.142	C	C	.	.	H	α-helix	trans	-71.4	-27.9	175.8	-60.4	-174.9	103.1	0	0	112.8	L149 S150 F151 E156 Y157 R187 K190	L149-E153 HydrophobicContact CB-CB 4.47Å; L149-E153 HydrophobicContact CD2-CB 3.9Å; S150-E153 PolarHBondContact N-OE2 3.44Å; S150-E153 VanDerWaalsContact N-OE2 3.08Å; S150-E153 PolarHBondContact O-N 3.38Å; S150-E153 VanDerWaalsContact O-N 3.1Å; F151-E153 VanDerWaalsContact C-N 3.3Å; F151-E153 PolarHBondContact O-N 2.95Å; E153-E156 PolarHBondContact O-N 3.33Å; E153-Y157 VanDerWaalsContact O-CB 3.28Å; E153-Y157 WeakPolarHBondContact O-CB 3.22Å; E153-Y157 PolarHBondContact O-N 2.66Å; E153-R187 VanDerWaalsContact OE1-CG 3.32Å; E153-R187 WeakPolarHBondContact OE1-CG 3.45Å; E153-R187 IonicContact OE1-CZ 2.66Å; E153-R187 IonicContact OE1-NE 3.21Å; E153-R187 PolarHBondContact OE1-NE 2.93Å; E153-R187 IonicContact OE1-NH2 2.7Å; E153-R187 IonicContact OE2-CZ 2.69Å; E153-R187 IonicContact OE2-NE 2.7Å; E153-R187 PolarHBondContact OE2-NE 3.47Å; E153-R187 VanDerWaalsContact OE2-NE 3.13Å; E153-R187 IonicContact OE2-NH2 3.24Å; E153-R187 PolarHBondContact OE2-NH2 3.3Å; E153-K190 IonicContact OE1-NZ 3Å; E153-K190 PolarHBondContact OE1-NZ 3.2Å
154	V	97.8	Very high	96.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-40.9	169.5	173.1	0	0	0	0	110.6	L149 S150 F151 Q152 Y157 M158 F404 L407 W535	L149-V154 HydrophobicContact CB-CG2 4.42Å; S150-V154 PolarHBondContact O-N 2.9Å; F151-V154 WeakPolarHBondContact O-CB 3.44Å; F151-V154 PolarHBondContact O-N 2.86Å; Q152-V154 VanDerWaalsContact C-N 3.32Å; Q152-V154 PolarHBondContact O-N 2.86Å; V154-Y157 PolarHBondContact O-N 2.89Å; V154-M158 WeakPolarHBondContact O-CG 3.27Å; V154-M158 PolarHBondContact O-N 2.83Å; V154-F404 HydrophobicContact CG1-CD2 4.09Å; V154-F404 HydrophobicContact CG1-CE2 3.77Å; V154-L407 HydrophobicContact CG1-CB 3.99Å; V154-L407 HydrophobicContact CG1-CD1 4.2Å; V154-L407 HydrophobicContact CG2-CB 4.39Å; V154-L407 HydrophobicContact CG2-CD2 4.37Å; V154-W535 HydrophobicContact CG2-CH2 3.98Å; V154-W535 HydrophobicContact CG2-CZ2 3.72Å
155	R	97.8	Very high	97	Very high	34 Å²	34	18.6 Å²	18.6	13%	0.128	9%	0.091	C	C	.	.	H	α-helix	trans	-59.7	-50.5	172.1	-62.8	176.2	72.7	-143.1	5.3	110.7	F151 Q152 Y157 M158 F159 F568 F569 K570 M572	F151-R155 HydrophobicContact CE1-CG 4.18Å; F151-R155 PolarHBondContact O-N 2.57Å; F151-R155 VanDerWaalsContact O-N 3.17Å; Q152-R155 WeakPolarHBondContact O-CB 3.22Å; Q152-R155 PolarHBondContact O-N 3.46Å; R155-Y157 PolarHBondContact O-N 2.83Å; R155-M158 PolarHBondContact O-N 3.34Å; R155-F159 VanDerWaalsContact O-CB 3.28Å; R155-F159 WeakPolarHBondContact O-CB 3.15Å; R155-F159 PolarHBondContact O-N 3.3Å; R155-F568 HydrophobicContact CB-CE1 4.46Å; R155-F568 HydrophobicContact CB-CZ 4.34Å; R155-F568 HydrophobicContact CG-CE1 4.04Å; R155-F568 HydrophobicContact CG-CE2 3.84Å; R155-F568 HydrophobicContact CG-CZ 3.5Å; R155-F568 PolarHBondContact NE-O 3.5Å; R155-F568 PolarHBondContact NH2-O 3.05Å; R155-F569 WeakPolarHBondContact O-CE1 3.19Å; R155-K570 PolarHBondContact NH2-O 2.91Å; R155-M572 HydrophobicContact CB-SD 4.18Å
156	E	98.1	Very high	97.3	Very high	46 Å²	46	20.7 Å²	20.7	22%	0.215	10%	0.1	C	C	.	.	H	α-helix	trans	-58.6	-43.7	177.8	-70.3	166.6	-170.6	0	0	113.2	Q152 E153 N160 K190 M572	Q152-E156 PolarHBondContact NE2-OE1 3.17Å; Q152-E156 WeakPolarHBondContact O-CG 3.41Å; Q152-E156 PolarHBondContact O-N 3.33Å; E153-E156 PolarHBondContact O-N 3.33Å; E156-N160 WeakPolarHBondContact O-CB 3.36Å; E156-N160 PolarHBondContact O-N 2.98Å; E156-N160 PolarHBondContact O-ND2 2.96Å; E156-K190 WeakPolarHBondContact OE2-CD 3.47Å; E156-K190 WeakPolarHBondContact OE2-CE 3.38Å; E156-K190 IonicContact OE2-NZ 3.54Å; E156-K190 PolarHBondContact OE2-NZ 2.79Å; E156-M572 HydrophobicContact CG-CE 4.19Å
157	Y	98.6	Very high	97.5	Very high	2 Å²	2	22 Å²	22	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-61.6	-50.1	177.6	-173.1	-75.6	0	0	0	111.4	F142 E153 V154 R155 N160 L161 F183 Y185 Y192 I403 L407	F142-Y157 HydrophobicContact CD2-CE2 4.42Å; F142-Y157 HydrophobicContact CE2-CE2 4.49Å; E153-Y157 VanDerWaalsContact O-CB 3.28Å; E153-Y157 WeakPolarHBondContact O-CB 3.22Å; E153-Y157 PolarHBondContact O-N 2.66Å; V154-Y157 PolarHBondContact O-N 2.89Å; R155-Y157 PolarHBondContact O-N 2.83Å; Y157-N160 PolarHBondContact O-N 3.43Å; Y157-L161 WeakPolarHBondContact O-CB 3.39Å; Y157-L161 PolarHBondContact O-N 2.84Å; Y157-F183 HydrophobicContact CD1-CD1 4.4Å; Y157-F183 HydrophobicContact CD1-CE1 4.25Å; Y157-F183 AromaticContact CE1-CD1 3.73Å; Y157-F183 HydrophobicContact CE1-CD1 3.73Å; Y157-F183 HydrophobicContact CE1-CE1 4.03Å; Y157-F183 HydrophobicContact CE2-CD1 4.05Å; Y157-F183 HydrophobicContact CE2-CE1 4.32Å; Y157-F183 HydrophobicContact CG-CE1 4.49Å; Y157-F183 AromaticContact CZ-CD1 3.54Å; Y157-Y185 AromaticContact CD2-CD1 3.66Å; Y157-Y185 HydrophobicContact CD2-CD1 3.66Å; Y157-Y185 HydrophobicContact CD2-CE1 4.14Å; Y157-Y185 AromaticContact CD2-CG 3.9Å; Y157-Y185 HydrophobicContact CD2-CG 3.9Å; Y157-Y185 AromaticContact CE2-CD1 3.93Å; Y157-Y185 HydrophobicContact CE2-CD1 3.93Å; Y157-Y185 HydrophobicContact CE2-CG 4.07Å; Y157-Y192 HydrophobicContact CD2-CE1 4.32Å; Y157-I403 HydrophobicContact CE1-CG2 3.78Å; Y157-L407 HydrophobicContact CD1-CD1 3.63Å; Y157-L407 HydrophobicContact CE1-CD1 4.03Å; Y157-L407 HydrophobicContact CG-CD1 4.18Å
158	M	98.8	Very high	97.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-40.7	-179.1	-69.4	-54.1	-53.5	0	0	112.1	V154 R155 N160 L161 F162 A400 F404 L407 F569	V154-M158 WeakPolarHBondContact O-CG 3.27Å; V154-M158 PolarHBondContact O-N 2.83Å; R155-M158 PolarHBondContact O-N 3.34Å; M158-N160 PolarHBondContact O-N 2.79Å; M158-L161 HydrophobicContact CE-CD2 4.04Å; M158-L161 WeakPolarHBondContact O-CB 3.39Å; M158-L161 PolarHBondContact O-N 3.08Å; M158-L161 HydrophobicContact SD-CD2 4.31Å; M158-F162 HydrophobicContact CB-CE2 4.13Å; M158-F162 HydrophobicContact CE-CE1 4.12Å; M158-F162 HydrophobicContact CE-CE2 3.71Å; M158-F162 HydrophobicContact CE-CZ 3.34Å; M158-F162 WeakPolarHBondContact O-CD2 3.5Å; M158-F162 WeakPolarHBondContact O-CG 3.49Å; M158-F162 PolarHBondContact O-N 2.76Å; M158-A400 HydrophobicContact CE-CB 4.46Å; M158-F404 HydrophobicContact CE-CB 3.75Å; M158-F404 HydrophobicContact CE-CG 4.13Å; M158-F404 HydrophobicContact CG-CB 4.43Å; M158-F404 HydrophobicContact CG-CD2 3.65Å; M158-F404 HydrophobicContact CG-CE2 4.07Å; M158-F404 HydrophobicContact CG-CG 4.08Å; M158-F404 HydrophobicContact SD-CB 3.76Å; M158-F404 HydrophobicContact SD-CD2 4.07Å; M158-F404 HydrophobicContact SD-CG 4.07Å; M158-L407 HydrophobicContact CG-CD1 4.22Å; M158-L407 HydrophobicContact SD-CD1 3.84Å; M158-F569 HydrophobicContact CB-CE1 4.19Å; M158-F569 HydrophobicContact CB-CZ 3.91Å
159	F	98.8	Very high	98	Very high	10 Å²	10	18.7 Å²	18.7	4%	0.044	8%	0.084	C	C	.	.	H	α-helix	trans	-59.1	-47.3	175.8	-172.7	-110.6	0	0	0	111.7	R155 L161 F162 K163 L564 F569 M572 S573	R155-F159 VanDerWaalsContact O-CB 3.28Å; R155-F159 WeakPolarHBondContact O-CB 3.15Å; R155-F159 PolarHBondContact O-N 3.3Å; F159-L161 VanDerWaalsContact C-N 3.34Å; F159-L161 PolarHBondContact O-N 2.93Å; F159-F162 PolarHBondContact O-N 3.11Å; F159-K163 HydrophobicContact CD1-CD 4.38Å; F159-K163 HydrophobicContact CE1-CD 4.12Å; F159-K163 PolarHBondContact O-N 3.23Å; F159-L564 HydrophobicContact CD2-CD2 3.54Å; F159-L564 HydrophobicContact CE2-CD2 3.58Å; F159-L564 HydrophobicContact CG-CD2 4.21Å; F159-L564 HydrophobicContact CZ-CD2 4.28Å; F159-L564 WeakPolarHBondContact O-CD2 3.24Å; F159-F569 HydrophobicContact CB-CD1 3.87Å; F159-F569 HydrophobicContact CB-CE1 3.69Å; F159-F569 HydrophobicContact CB-CZ 4.24Å; F159-F569 HydrophobicContact CD2-CB 3.95Å; F159-F569 AromaticContact CD2-CD1 3.78Å; F159-F569 HydrophobicContact CD2-CD1 3.78Å; F159-F569 HydrophobicContact CD2-CD2 4.05Å; F159-F569 HydrophobicContact CD2-CE1 4.26Å; F159-F569 AromaticContact CD2-CG 3.66Å; F159-F569 HydrophobicContact CD2-CG 3.66Å; F159-F569 HydrophobicContact CE2-CB 4.19Å; F159-F569 HydrophobicContact CE2-CG 4.35Å; F159-F569 HydrophobicContact CG-CD1 4.26Å; F159-F569 HydrophobicContact CG-CE1 4.49Å; F159-M572 HydrophobicContact CB-CE 3.68Å; F159-M572 HydrophobicContact CB-SD 4.3Å; F159-M572 HydrophobicContact CD1-CE 3.62Å; F159-M572 HydrophobicContact CD2-CB 4.45Å; F159-M572 HydrophobicContact CD2-CE 4.32Å; F159-M572 HydrophobicContact CD2-SD 4.47Å; F159-M572 HydrophobicContact CE1-CB 4.4Å; F159-M572 HydrophobicContact CE1-CE 4.26Å; F159-M572 HydrophobicContact CE2-CB 4.14Å; F159-M572 HydrophobicContact CG-CE 3.64Å; F159-M572 HydrophobicContact CG-SD 4.29Å; F159-M572 HydrophobicContact CZ-CB 4.11Å; F159-S573 WeakPolarHBondContact CE1-O 3.48Å; F159-S573 VanDerWaalsContact CZ-O 3.24Å; F159-S573 WeakPolarHBondContact CZ-O 3.2Å
160	N	98.8	Very high	98.2	Very high	28 Å²	28	22.8 Å²	22.8	15%	0.15	10%	0.104	C	C	.	.	H	α-helix	trans	-70.5	-29.1	179.4	-78.4	-76.3	0	0	0	113.1	N116 E156 Y157 M158 A164 F183 Y192	N116-N160 WeakPolarHBondContact ND2-CA 3.22Å; N116-N160 VanDerWaalsContact ND2-CB 3.32Å; N116-N160 WeakPolarHBondContact ND2-CB 3.47Å; N116-N160 PolarHBondContact ND2-O 3.21Å; N116-N160 VanDerWaalsContact ND2-O 3.11Å; N116-N160 PolarHBondContact ND2-OD1 2.82Å; E156-N160 WeakPolarHBondContact O-CB 3.36Å; E156-N160 PolarHBondContact O-N 2.98Å; E156-N160 PolarHBondContact O-ND2 2.96Å; Y157-N160 PolarHBondContact O-N 3.43Å; M158-N160 PolarHBondContact O-N 2.79Å; N160-A164 PolarHBondContact O-N 3.16Å; N160-F183 HydrophobicContact CB-CZ 4.25Å; N160-Y192 HydrophobicContact CB-CD1 3.84Å; N160-Y192 HydrophobicContact CB-CD2 3.44Å; N160-Y192 VanDerWaalsContact CB-CD2 3.44Å; N160-Y192 HydrophobicContact CB-CE1 4.06Å; N160-Y192 HydrophobicContact CB-CE2 3.73Å; N160-Y192 HydrophobicContact CB-CG 3.52Å; N160-Y192 VanDerWaalsContact ND2-CE2 3.26Å; N160-Y192 WeakPolarHBondContact ND2-CE2 3.23Å
161	L	98.9	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-45.6	169.6	176.9	60.5	0	0	0	110.9	Y157 M158 F159 K163 A164 L165 V178 F183 A400 I403	Y157-L161 WeakPolarHBondContact O-CB 3.39Å; Y157-L161 PolarHBondContact O-N 2.84Å; M158-L161 HydrophobicContact CE-CD2 4.04Å; M158-L161 WeakPolarHBondContact O-CB 3.39Å; M158-L161 PolarHBondContact O-N 3.08Å; M158-L161 HydrophobicContact SD-CD2 4.31Å; F159-L161 VanDerWaalsContact C-N 3.34Å; F159-L161 PolarHBondContact O-N 2.93Å; L161-K163 VanDerWaalsContact C-N 3.33Å; L161-K163 PolarHBondContact O-N 2.72Å; L161-A164 PolarHBondContact O-N 3.38Å; L161-L165 HydrophobicContact CD1-CD1 4.23Å; L161-L165 HydrophobicContact CD1-CG 4.21Å; L161-L165 HydrophobicContact CG-CD1 4.13Å; L161-L165 HydrophobicContact CG-CG 4.47Å; L161-L165 WeakPolarHBondContact O-CG 3.36Å; L161-L165 PolarHBondContact O-N 3.16Å; L161-V178 HydrophobicContact CD1-CG1 4.25Å; L161-F183 VanDerWaalsContact CA-CZ 3.41Å; L161-F183 HydrophobicContact CB-CD1 4.29Å; L161-F183 HydrophobicContact CB-CE1 3.81Å; L161-F183 HydrophobicContact CB-CE2 4.33Å; L161-F183 HydrophobicContact CB-CZ 3.84Å; L161-F183 HydrophobicContact CD1-CB 4.38Å; L161-F183 HydrophobicContact CD1-CD1 4.18Å; L161-F183 HydrophobicContact CD1-CD2 3.82Å; L161-F183 HydrophobicContact CD1-CE1 4.42Å; L161-F183 HydrophobicContact CD1-CE2 4.1Å; L161-F183 HydrophobicContact CD1-CG 3.87Å; L161-F183 HydrophobicContact CD1-CZ 4.39Å; L161-F183 VanDerWaalsContact N-CZ 3.32Å; L161-A400 HydrophobicContact CD2-CB 3.81Å; L161-I403 HydrophobicContact CD2-CD1 4Å
162	F	98.9	Very high	98.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-29.7	177.2	-61.5	-49	0	0	0	113.2	M158 F159 L165 K166 M397 A400 L545 L549 A563 L564 F569	M158-F162 HydrophobicContact CB-CE2 4.13Å; M158-F162 HydrophobicContact CE-CE1 4.12Å; M158-F162 HydrophobicContact CE-CE2 3.71Å; M158-F162 HydrophobicContact CE-CZ 3.34Å; M158-F162 WeakPolarHBondContact O-CD2 3.5Å; M158-F162 WeakPolarHBondContact O-CG 3.49Å; M158-F162 PolarHBondContact O-N 2.76Å; F159-F162 PolarHBondContact O-N 3.11Å; F162-L165 HydrophobicContact CD1-CD1 4.25Å; F162-L165 PolarHBondContact O-N 3.16Å; F162-K166 VanDerWaalsContact O-CB 3.22Å; F162-K166 WeakPolarHBondContact O-CB 3.38Å; F162-K166 PolarHBondContact O-N 2.95Å; F162-M397 HydrophobicContact CD1-CE 3.73Å; F162-M397 HydrophobicContact CE1-CE 3.55Å; F162-A400 HydrophobicContact CE1-CB 3.83Å; F162-A400 HydrophobicContact CZ-CB 4.47Å; F162-L545 HydrophobicContact CE2-CD2 4.22Å; F162-L549 HydrophobicContact CE1-CD2 3.71Å; F162-L549 HydrophobicContact CZ-CD1 3.73Å; F162-L549 HydrophobicContact CZ-CD2 3.68Å; F162-L549 HydrophobicContact CZ-CG 4.33Å; F162-A563 HydrophobicContact CD1-CB 4.03Å; F162-A563 HydrophobicContact CD2-CB 3.94Å; F162-A563 HydrophobicContact CE1-CB 4.19Å; F162-A563 HydrophobicContact CE2-CB 4.09Å; F162-A563 HydrophobicContact CG-CB 3.93Å; F162-A563 HydrophobicContact CZ-CB 4.23Å; F162-L564 HydrophobicContact CB-CD1 4.4Å; F162-L564 HydrophobicContact CB-CD2 3.74Å; F162-L564 HydrophobicContact CB-CG 3.73Å; F162-F569 AromaticContact CD2-CE2 3.65Å; F162-F569 HydrophobicContact CD2-CE2 3.65Å; F162-F569 AromaticContact CD2-CZ 3.71Å; F162-F569 HydrophobicContact CD2-CZ 3.71Å; F162-F569 AromaticContact CE2-CE2 3.86Å; F162-F569 HydrophobicContact CE2-CE2 3.86Å; F162-F569 AromaticContact CE2-CZ 3.76Å; F162-F569 HydrophobicContact CE2-CZ 3.76Å
163	K	98.7	Very high	98.5	Very high	49 Å²	49	20.1 Å²	20.1	21%	0.213	9%	0.091	C	C	.	.	H	α-helix	trans	-58.1	-48.3	167.9	-75.4	-173.4	165.8	-173.5	0	111.8	D115 F159 L161 R167 L564 S573 L574	D115-K163 CarbonylContact O-C 3.6Å; F159-K163 HydrophobicContact CD1-CD 4.38Å; F159-K163 HydrophobicContact CE1-CD 4.12Å; F159-K163 PolarHBondContact O-N 3.23Å; L161-K163 VanDerWaalsContact C-N 3.33Å; L161-K163 PolarHBondContact O-N 2.72Å; K163-R167 WeakPolarHBondContact O-CB 3.2Å; K163-R167 PolarHBondContact O-N 3.31Å; K163-L564 HydrophobicContact CG-CD1 4.36Å; K163-L564 HydrophobicContact CG-CD2 3.96Å; K163-S573 PolarHBondContact NZ-O 2.8Å; K163-L574 WeakPolarHBondContact CE-OXT 3.04Å; K163-L574 PolarHBondContact NZ-OXT 3.43Å
164	A	98.9	Very high	98.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.7	-43.9	176.6	0	0	0	0	0	112.7	D115 N116 V117 N160 L161 R167 I168 F183 L194	D115-A164 WeakPolarHBondContact O-CA 3.32Å; D115-A164 PolarHBondContact O-N 3.43Å; N116-A164 HydrophobicContact CB-CB 4.12Å; V117-A164 HydrophobicContact CG2-CB 4.09Å; N160-A164 PolarHBondContact O-N 3.16Å; L161-A164 PolarHBondContact O-N 3.38Å; A164-R167 WeakPolarHBondContact O-CB 3.39Å; A164-R167 PolarHBondContact O-N 3.25Å; A164-I168 WeakPolarHBondContact O-CG1 3.37Å; A164-I168 PolarHBondContact O-N 3.03Å; A164-F183 HydrophobicContact CB-CE2 4.2Å; A164-L194 HydrophobicContact CB-CB 3.8Å; A164-L194 HydrophobicContact CB-CD2 4.02Å
165	L	98.9	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.7	-45.9	178.8	-66.1	-179.9	0	0	0	111.9	L161 F162 R167 I168 H169 V178 L194 D396 M397 A400 A560	L161-L165 HydrophobicContact CD1-CD1 4.23Å; L161-L165 HydrophobicContact CD1-CG 4.21Å; L161-L165 HydrophobicContact CG-CD1 4.13Å; L161-L165 HydrophobicContact CG-CG 4.47Å; L161-L165 WeakPolarHBondContact O-CG 3.36Å; L161-L165 PolarHBondContact O-N 3.16Å; F162-L165 HydrophobicContact CD1-CD1 4.25Å; F162-L165 PolarHBondContact O-N 3.16Å; L165-R167 VanDerWaalsContact C-N 3.29Å; L165-R167 PolarHBondContact O-N 3.02Å; L165-I168 HydrophobicContact CD2-CD1 4.12Å; L165-I168 HydrophobicContact CD2-CG1 4.49Å; L165-I168 WeakPolarHBondContact O-CG1 3.32Å; L165-I168 PolarHBondContact O-N 3.37Å; L165-H169 VanDerWaalsContact O-CB 3.23Å; L165-H169 WeakPolarHBondContact O-CB 3.41Å; L165-H169 PolarHBondContact O-CD2 3.31Å; L165-H169 PolarHBondContact O-N 3.35Å; L165-V178 HydrophobicContact CD2-CG2 3.88Å; L165-L194 HydrophobicContact CD2-CD2 4.11Å; L165-D396 HydrophobicContact CD2-CB 4.22Å; L165-M397 HydrophobicContact CB-SD 4.48Å; L165-M397 HydrophobicContact CD1-SD 4.02Å; L165-A400 HydrophobicContact CD1-CB 3.89Å; L165-A560 HydrophobicContact CB-CB 3.76Å
166	K	98.8	Very high	98.7	Very high	48 Å²	48	18.4 Å²	18.4	21%	0.209	8%	0.084	C	C	.	.	H	α-helix	trans	-54.8	-47.3	173.7	171.8	170.8	168.2	162.1	0	110.5	F162 H169 Q170 A560 E561 L564	F162-K166 VanDerWaalsContact O-CB 3.22Å; F162-K166 WeakPolarHBondContact O-CB 3.38Å; F162-K166 PolarHBondContact O-N 2.95Å; K166-H169 PolarHBondContact O-N 3.05Å; K166-Q170 VanDerWaalsContact CE-NE2 3.34Å; K166-Q170 WeakPolarHBondContact O-CB 3.48Å; K166-Q170 VanDerWaalsContact O-CG 3.26Å; K166-Q170 WeakPolarHBondContact O-CG 3.19Å; K166-Q170 PolarHBondContact O-N 3.42Å; K166-A560 HydrophobicContact CB-CB 3.94Å; K166-A560 VanDerWaalsContact N-CB 3.3Å; K166-E561 HydrophobicContact CD-CB 4.22Å; K166-E561 HydrophobicContact CD-CG 4.44Å; K166-E561 WeakPolarHBondContact CE-OE1 3.4Å; K166-E561 IonicContact NZ-OE1 3.79Å; K166-E561 PolarHBondContact NZ-OE1 3.3Å; K166-L564 HydrophobicContact CB-CD1 4.04Å; K166-L564 HydrophobicContact CD-CD1 3.59Å; K166-L564 HydrophobicContact CG-CD1 4.45Å
167	R	98.8	Very high	98.7	Very high	31 Å²	31	16.4 Å²	16.4	12%	0.117	8%	0.075	C	C	.	.	H	α-helix	trans	-56.1	-53.9	176.8	174.4	59	176.9	-164	0.1	111.7	V110 A111 Q114 D115 V117 K163 A164 L165 H169 Q170 F171	V110-R167 PolarHBondContact O-NH2 2.63Å; A111-R167 PolarHBondContact O-NE 2.87Å; A111-R167 PolarHBondContact O-NH2 3.43Å; Q114-R167 VanDerWaalsContact CD-NH2 3.28Å; D115-R167 HydrophobicContact CB-CB 3.76Å; D115-R167 HydrophobicContact CB-CG 3.95Å; D115-R167 WeakPolarHBondContact OD2-CD 3.5Å; D115-R167 IonicContact OD2-NE 3.9Å; D115-R167 IonicContact OD2-NH1 2.65Å; V117-R167 HydrophobicContact CG2-CB 3.89Å; V117-R167 HydrophobicContact CG2-CG 3.64Å; K163-R167 WeakPolarHBondContact O-CB 3.2Å; K163-R167 PolarHBondContact O-N 3.31Å; A164-R167 WeakPolarHBondContact O-CB 3.39Å; A164-R167 PolarHBondContact O-N 3.25Å; L165-R167 VanDerWaalsContact C-N 3.29Å; L165-R167 PolarHBondContact O-N 3.02Å; R167-H169 PolarHBondContact O-N 3.42Å; R167-Q170 PolarHBondContact O-N 2.92Å; R167-F171 VanDerWaalsContact CZ-CE2 3.48Å; R167-F171 VanDerWaalsContact O-CD2 3.31Å; R167-F171 WeakPolarHBondContact O-CD2 3.46Å
168	I	98.8	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-71	-32.8	-176.4	64.2	157.3	0	0	0	112.7	V117 A164 L165 Q170 F171 G172 I173 H175 L194 F197	V117-I168 HydrophobicContact CG1-CG2 3.96Å; V117-I168 HydrophobicContact CG2-CG2 3.81Å; A164-I168 WeakPolarHBondContact O-CG1 3.37Å; A164-I168 PolarHBondContact O-N 3.03Å; L165-I168 HydrophobicContact CD2-CD1 4.12Å; L165-I168 HydrophobicContact CD2-CG1 4.49Å; L165-I168 WeakPolarHBondContact O-CG1 3.32Å; L165-I168 PolarHBondContact O-N 3.37Å; I168-Q170 PolarHBondContact O-N 3.19Å; I168-F171 PolarHBondContact O-N 3.25Å; I168-F171 VanDerWaalsContact O-N 3.12Å; I168-G172 PolarHBondContact O-N 2.81Å; I168-I173 HydrophobicContact CB-CB 4.14Å; I168-I173 HydrophobicContact CB-CD1 4.26Å; I168-I173 WeakPolarHBondContact O-CB 3.07Å; I168-I173 PolarHBondContact O-N 3.08Å; I168-I173 VanDerWaalsContact O-N 3.11Å; I168-H175 HydrophobicContact CD1-CB 3.74Å; I168-L194 HydrophobicContact CD1-CD2 3.82Å; I168-L194 HydrophobicContact CG1-CD2 4.32Å; I168-L194 HydrophobicContact CG2-CD2 4.37Å; I168-F197 HydrophobicContact CB-CE1 4.44Å; I168-F197 HydrophobicContact CD1-CE1 4.36Å; I168-F197 HydrophobicContact CG2-CE1 3.78Å; I168-F197 HydrophobicContact CG2-CZ 3.79Å
169	H	98.8	Very high	98.6	Very high	31 Å²	31	16.4 Å²	16.4	14%	0.144	8%	0.075	C	C	.	.	H	α-helix	trans	-68.1	-34.1	177.8	-66.2	176.7	0	0	0	111.6	L165 K166 R167 F171 G172 I173 T393 D396	L165-H169 VanDerWaalsContact O-CB 3.23Å; L165-H169 WeakPolarHBondContact O-CB 3.41Å; L165-H169 PolarHBondContact O-CD2 3.31Å; L165-H169 PolarHBondContact O-N 3.35Å; K166-H169 PolarHBondContact O-N 3.05Å; R167-H169 PolarHBondContact O-N 3.42Å; H169-F171 PolarHBondContact O-N 3.29Å; H169-G172 PolarHBondContact O-N 3.29Å; H169-I173 PolarHBondContact CD2-O 2.82Å; H169-I173 VanDerWaalsContact CD2-O 3.31Å; H169-T393 HydrophobicContact CB-CG2 4.02Å; H169-T393 WeakPolarHBondContact CD2-CG2 3.43Å; H169-D396 IonicContact CD2-OD2 2.66Å; H169-D396 IonicContact CE1-OD2 3.54Å; H169-D396 IonicContact NE2-OD2 3.83Å; H169-D396 PolarHBondContact NE2-OD2 3.45Å
170	Q	98.6	Very high	98.6	Very high	86 Å²	86	16.4 Å²	16.4	40%	0.402	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.1	171.3	-76.9	175.1	-14	0	0	114.3	K166 R167 I168 K207	K166-Q170 VanDerWaalsContact CE-NE2 3.34Å; K166-Q170 WeakPolarHBondContact O-CB 3.48Å; K166-Q170 VanDerWaalsContact O-CG 3.26Å; K166-Q170 WeakPolarHBondContact O-CG 3.19Å; K166-Q170 PolarHBondContact O-N 3.42Å; R167-Q170 PolarHBondContact O-N 2.92Å; I168-Q170 PolarHBondContact O-N 3.19Å; Q170-K207 VanDerWaalsContact O-CE 3.32Å; Q170-K207 WeakPolarHBondContact O-CE 3.25Å; Q170-K207 PolarHBondContact O-NZ 3.03Å
171	F	98.6	Very high	98.5	Very high	36 Å²	36	15.9 Å²	15.9	16%	0.158	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	4.6	172.2	-72.6	-101.7	0	0	0	112.6	V110 A111 R167 I168 H169 I173 T206 K207 I208	V110-F171 HydrophobicContact CG1-CD1 3.72Å; V110-F171 HydrophobicContact CG1-CE1 3.57Å; A111-F171 HydrophobicContact CB-CD2 4.22Å; A111-F171 HydrophobicContact CB-CG 4.2Å; R167-F171 VanDerWaalsContact CZ-CE2 3.48Å; R167-F171 VanDerWaalsContact O-CD2 3.31Å; R167-F171 WeakPolarHBondContact O-CD2 3.46Å; I168-F171 PolarHBondContact O-N 3.25Å; I168-F171 VanDerWaalsContact O-N 3.12Å; H169-F171 PolarHBondContact O-N 3.29Å; F171-I173 HydrophobicContact CB-CD1 3.98Å; F171-I173 HydrophobicContact CB-CG1 4.04Å; F171-T206 PolarHBondContact O-OG1 3.28Å; F171-K207 HydrophobicContact CB-CB 4.4Å; F171-K207 HydrophobicContact CD1-CB 4.03Å; F171-K207 HydrophobicContact CD1-CD 4.28Å; F171-K207 PolarHBondContact O-N 3.15Å; F171-I208 HydrophobicContact CB-CD1 4.33Å; F171-I208 HydrophobicContact CB-CG1 4.43Å; F171-I208 HydrophobicContact CD1-CD1 4.24Å
172	G	98.4	Very high	98.4	Very high	4 Å²	4	16.3 Å²	16.3	4%	0.041	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	42.4	-176.2	0	0	0	0	0	111.9	I168 H169 G202 T203 T206	I168-G172 PolarHBondContact O-N 2.81Å; H169-G172 PolarHBondContact O-N 3.29Å; G172-G202 CarbonylContact O-C 3.52Å; G172-G202 WeakPolarHBondContact O-CA 3.48Å; G172-T203 WeakPolarHBondContact CA-OG1 3.49Å; G172-T203 PolarHBondContact O-N 3.32Å; G172-T203 PolarHBondContact O-OG1 3.21Å; G172-T206 WeakPolarHBondContact O-CB 3.32Å; G172-T206 PolarHBondContact O-OG1 3.03Å
173	I	98.7	Very high	98.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.8	174.4	-54.9	170.4	0	0	0	107.9	C107 A111 I168 H169 F171 F197 A200 I208 L211	C107-I173 HydrophobicContact CB-CD1 4.33Å; A111-I173 HydrophobicContact CB-CD1 3.7Å; I168-I173 HydrophobicContact CB-CB 4.14Å; I168-I173 HydrophobicContact CB-CD1 4.26Å; I168-I173 WeakPolarHBondContact O-CB 3.07Å; I168-I173 PolarHBondContact O-N 3.08Å; I168-I173 VanDerWaalsContact O-N 3.11Å; H169-I173 PolarHBondContact CD2-O 2.82Å; H169-I173 VanDerWaalsContact CD2-O 3.31Å; F171-I173 HydrophobicContact CB-CD1 3.98Å; F171-I173 HydrophobicContact CB-CG1 4.04Å; I173-F197 HydrophobicContact CG2-CD1 4.07Å; I173-F197 HydrophobicContact CG2-CE1 4.19Å; I173-A200 HydrophobicContact CG2-CB 3.97Å; I173-I208 HydrophobicContact CD1-CD1 4.18Å; I173-I208 HydrophobicContact CD1-CG1 3.73Å; I173-I208 HydrophobicContact CG1-CG1 3.63Å; I173-L211 HydrophobicContact CB-CD1 4.49Å; I173-L211 HydrophobicContact CG1-CD1 4.11Å; I173-L211 HydrophobicContact CG2-CD1 4.21Å
174	V	98.6	Very high	98.4	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.024	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.6	164.5	-170.6	0	0	0	0	107.2	R176 A200 Q201 T203 T393 I395 D396	V174-R176 HydrophobicContact CB-CG 4.48Å; V174-R176 HydrophobicContact CG1-CG 4.05Å; V174-A200 VanDerWaalsContact O-CA 3.28Å; V174-A200 WeakPolarHBondContact O-CA 3.35Å; V174-Q201 PolarHBondContact N-O 3.46Å; V174-Q201 PolarHBondContact O-N 3.2Å; V174-T203 HydrophobicContact CG2-CG2 3.91Å; V174-T393 HydrophobicContact CG2-CG2 4.02Å; V174-I395 HydrophobicContact CG1-CD1 3.56Å; V174-I395 HydrophobicContact CG1-CG1 3.58Å; V174-D396 WeakPolarHBondContact CA-OD2 3.47Å
175	H	98.7	Very high	98.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.			trans	-71.2	-35.5	-174.2	-165.1	-85.5	0	0	0	112.4	I168 D177 V178 V195 D196 F197 D396	I168-H175 HydrophobicContact CD1-CB 3.74Å; H175-D177 PolarHBondContact O-N 3.13Å; H175-V178 HydrophobicContact CB-CG2 3.75Å; H175-V195 PolarHBondContact CE1-O 3.22Å; H175-V195 VanDerWaalsContact CE1-O 3.27Å; H175-V195 PolarHBondContact NE2-O 2.95Å; H175-V195 VanDerWaalsContact NE2-O 3.14Å; H175-D196 PolarHBondContact CE1-O 3.12Å; H175-D196 VanDerWaalsContact CE1-O 3.3Å; H175-D196 PolarHBondContact NE2-O 2.86Å; H175-F197 AromaticContact CD2-CD1 3.86Å; H175-F197 AromaticContact CD2-CE1 3.63Å; H175-D396 PolarHBondContact N-OD1 3.45Å; H175-D396 PolarHBondContact N-OD2 3Å
176	R	98.2	Very high	98.3	Very high	11 Å²	11	16 Å²	16	4%	0.042	8%	0.077	C	C	.	.	S	Bend	trans	67	-18.4	179.6	-48.7	-160.8	51	90.4	22.1	116.9	V174 L199 Q201 P372 A374 G375 Q391 I395 D396	V174-R176 HydrophobicContact CB-CG 4.48Å; V174-R176 HydrophobicContact CG1-CG 4.05Å; R176-L199 WeakPolarHBondContact CD-O 3.47Å; R176-L199 WeakPolarHBondContact CG-O 3.36Å; R176-Q201 VanDerWaalsContact CD-CD 3.5Å; R176-P372 VanDerWaalsContact NH1-CB 3.32Å; R176-P372 PolarHBondContact NH2-O 3.08Å; R176-A374 PolarHBondContact NE-O 2.87Å; R176-A374 PolarHBondContact NH2-O 3.48Å; R176-G375 VanDerWaalsContact O-CA 3.26Å; R176-G375 WeakPolarHBondContact O-CA 3.2Å; R176-Q391 VanDerWaalsContact CZ-OE1 3.24Å; R176-I395 HydrophobicContact CB-CD1 4.41Å; R176-I395 HydrophobicContact CG-CD1 4.15Å; R176-D396 PolarHBondContact N-OD1 3.16Å
177	D	98.1	Very high	98.2	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.027	8%	0.075	C	C	.	.			trans	-134.9	44.8	-175.7	-154.5	33.8	0	0	0	112.9	H175 K179 N182 L199 G375 T376	H175-D177 PolarHBondContact O-N 3.13Å; D177-K179 PolarHBondContact O-N 3.38Å; D177-K179 IonicContact OD1-NZ 2.91Å; D177-K179 WeakPolarHBondContact OD2-CE 3.26Å; D177-K179 IonicContact OD2-NZ 2.72Å; D177-K179 PolarHBondContact OD2-NZ 2.86Å; D177-N182 PolarHBondContact O-ND2 3.31Å; D177-N182 PolarHBondContact OD2-ND2 2.76Å; D177-L199 HydrophobicContact CB-CB 4.44Å; D177-L199 HydrophobicContact CB-CD1 3.87Å; D177-G375 WeakPolarHBondContact OD1-CA 3.24Å; D177-T376 VanDerWaalsContact OD1-CB 3.26Å; D177-T376 WeakPolarHBondContact OD1-CB 3.39Å; D177-T376 PolarHBondContact OD1-N 2.57Å; D177-T376 PolarHBondContact OD1-OG1 2.84Å; D177-T376 PolarHBondContact OD2-OG1 3.46Å
178	V	98.8	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.109	C	C	.	.			trans	-72.1	121.3	172.6	179.3	0	0	0	0	109.1	L161 L165 H175 D396 S399 I403	L161-V178 HydrophobicContact CD1-CG1 4.25Å; L165-V178 HydrophobicContact CD2-CG2 3.88Å; H175-V178 HydrophobicContact CB-CG2 3.75Å; V178-D396 HydrophobicContact CG2-CB 3.89Å; V178-S399 WeakPolarHBondContact O-CB 3.44Å; V178-I403 HydrophobicContact CG1-CD1 3.92Å
179	K	98.1	Very high	97.9	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	13%	0.134	C	C	.	.	S	Bend	trans	-166.5	165.5	-177.3	60.7	-172.6	167.4	-172.6	0	108.5	D177 S181 N182 F183 E289 T376 F379	D177-K179 PolarHBondContact O-N 3.38Å; D177-K179 IonicContact OD1-NZ 2.91Å; D177-K179 WeakPolarHBondContact OD2-CE 3.26Å; D177-K179 IonicContact OD2-NZ 2.72Å; D177-K179 PolarHBondContact OD2-NZ 2.86Å; K179-S181 VanDerWaalsContact C-N 3.32Å; K179-S181 WeakPolarHBondContact CD-OG 3.17Å; K179-S181 VanDerWaalsContact CE-OG 3.24Å; K179-S181 WeakPolarHBondContact CE-OG 3.21Å; K179-S181 WeakPolarHBondContact CG-OG 3.26Å; K179-S181 PolarHBondContact O-N 2.86Å; K179-N182 WeakPolarHBondContact CE-ND2 3.46Å; K179-N182 HydrophobicContact CG-CB 4.1Å; K179-N182 CarbonylContact O-C 3.54Å; K179-N182 PolarHBondContact O-N 3.14Å; K179-F183 PolarHBondContact O-N 3.27Å; K179-E289 WeakPolarHBondContact CE-OE2 3.22Å; K179-E289 IonicContact NZ-OE1 3.89Å; K179-E289 PolarHBondContact NZ-OE1 2.86Å; K179-E289 IonicContact NZ-OE2 2.8Å; K179-E289 PolarHBondContact NZ-OE2 3.48Å; K179-T376 HydrophobicContact CD-CG2 4.22Å; K179-T376 WeakPolarHBondContact CD-OG1 3.33Å; K179-T376 PolarHBondContact NZ-OG1 2.64Å; K179-F379 HydrophobicContact CB-CD1 4.05Å; K179-F379 HydrophobicContact CB-CD2 4.05Å; K179-F379 HydrophobicContact CB-CE1 3.96Å; K179-F379 HydrophobicContact CB-CE2 3.96Å; K179-F379 HydrophobicContact CB-CG 4.11Å; K179-F379 HydrophobicContact CB-CZ 3.92Å
180	P	97.9	Very high	97.8	Very high	9 Å²	9	32 Å²	32	6%	0.058	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-63.7	-29.3	-175.3	-27	39	0	0	0	115.4	F142 N182 F183 I403 Y412	F142-P180 HydrophobicContact CB-CB 3.66Å; F142-P180 HydrophobicContact CD1-CB 3.81Å; F142-P180 HydrophobicContact CD1-CG 3.83Å; F142-P180 HydrophobicContact CD2-CB 3.56Å; F142-P180 HydrophobicContact CD2-CG 3.96Å; F142-P180 HydrophobicContact CE1-CB 4.31Å; F142-P180 HydrophobicContact CE1-CG 3.85Å; F142-P180 HydrophobicContact CE2-CB 4.06Å; F142-P180 HydrophobicContact CE2-CG 3.95Å; F142-P180 HydrophobicContact CG-CB 3.4Å; F142-P180 HydrophobicContact CG-CG 3.88Å; F142-P180 HydrophobicContact CZ-CB 4.42Å; F142-P180 HydrophobicContact CZ-CG 3.9Å; P180-N182 PolarHBondContact O-N 2.78Å; P180-F183 PolarHBondContact O-N 2.82Å; P180-I403 HydrophobicContact CG-CD1 4.46Å; P180-I403 HydrophobicContact CG-CG1 4.08Å; P180-I403 HydrophobicContact CG-CG2 4.29Å; P180-Y412 HydrophobicContact CB-CE2 4.35Å; P180-Y412 HydrophobicContact CG-CD2 4.33Å; P180-Y412 HydrophobicContact CG-CE2 3.61Å
181	S	95.6	Very high	97.8	Very high	18 Å²	18	33.7 Å²	33.7	13%	0.126	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-66.2	-23.1	173	49.6	0	0	0	0	113.4	K179 E289	K179-S181 VanDerWaalsContact C-N 3.32Å; K179-S181 WeakPolarHBondContact CD-OG 3.17Å; K179-S181 VanDerWaalsContact CE-OG 3.24Å; K179-S181 WeakPolarHBondContact CE-OG 3.21Å; K179-S181 WeakPolarHBondContact CG-OG 3.26Å; K179-S181 PolarHBondContact O-N 2.86Å; S181-E289 PolarHBondContact OG-OE2 2.79Å
182	N	98.2	Very high	97.8	Very high	9 Å²	9	32.6 Å²	32.6	5%	0.048	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-100	2.1	177.7	-76.5	-6.6	0	0	0	113.6	D177 K179 P180 L194 V195	D177-N182 PolarHBondContact O-ND2 3.31Å; D177-N182 PolarHBondContact OD2-ND2 2.76Å; K179-N182 WeakPolarHBondContact CE-ND2 3.46Å; K179-N182 HydrophobicContact CG-CB 4.1Å; K179-N182 CarbonylContact O-C 3.54Å; K179-N182 PolarHBondContact O-N 3.14Å; P180-N182 PolarHBondContact O-N 2.78Å; N182-L194 CarbonylContact O-C 3.55Å; N182-L194 WeakPolarHBondContact O-CA 3.28Å; N182-V195 HydrophobicContact CB-CG2 4.32Å; N182-V195 WeakPolarHBondContact CB-O 3.33Å; N182-V195 WeakPolarHBondContact O-CG2 3.23Å; N182-V195 PolarHBondContact O-N 3.5Å
183	F	98.6	Very high	97.8	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.013	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	87.5	172.5	-171	-112.8	0	0	0	109.6	Y157 N160 L161 A164 K179 P180 Y185 Y192 A193 L194	Y157-F183 HydrophobicContact CD1-CD1 4.4Å; Y157-F183 HydrophobicContact CD1-CE1 4.25Å; Y157-F183 AromaticContact CE1-CD1 3.73Å; Y157-F183 HydrophobicContact CE1-CD1 3.73Å; Y157-F183 HydrophobicContact CE1-CE1 4.03Å; Y157-F183 HydrophobicContact CE2-CD1 4.05Å; Y157-F183 HydrophobicContact CE2-CE1 4.32Å; Y157-F183 HydrophobicContact CG-CE1 4.49Å; Y157-F183 AromaticContact CZ-CD1 3.54Å; N160-F183 HydrophobicContact CB-CZ 4.25Å; L161-F183 VanDerWaalsContact CA-CZ 3.41Å; L161-F183 HydrophobicContact CB-CD1 4.29Å; L161-F183 HydrophobicContact CB-CE1 3.81Å; L161-F183 HydrophobicContact CB-CE2 4.33Å; L161-F183 HydrophobicContact CB-CZ 3.84Å; L161-F183 HydrophobicContact CD1-CB 4.38Å; L161-F183 HydrophobicContact CD1-CD1 4.18Å; L161-F183 HydrophobicContact CD1-CD2 3.82Å; L161-F183 HydrophobicContact CD1-CE1 4.42Å; L161-F183 HydrophobicContact CD1-CE2 4.1Å; L161-F183 HydrophobicContact CD1-CG 3.87Å; L161-F183 HydrophobicContact CD1-CZ 4.39Å; L161-F183 VanDerWaalsContact N-CZ 3.32Å; A164-F183 HydrophobicContact CB-CE2 4.2Å; K179-F183 PolarHBondContact O-N 3.27Å; P180-F183 PolarHBondContact O-N 2.82Å; F183-Y185 PolarHBondContact O-N 2.77Å; F183-Y192 AromaticContact CE1-CD1 3.65Å; F183-Y192 HydrophobicContact CE1-CD1 3.65Å; F183-Y192 HydrophobicContact CE1-CE1 4.5Å; F183-Y192 HydrophobicContact CE1-CG 4.36Å; F183-Y192 AromaticContact CZ-CD1 3.75Å; F183-Y192 HydrophobicContact CZ-CD1 3.75Å; F183-Y192 AromaticContact CZ-CG 3.99Å; F183-Y192 HydrophobicContact CZ-CG 3.99Å; F183-A193 WeakPolarHBondContact CA-O 3.31Å; F183-L194 HydrophobicContact CD2-CB 4.05Å; F183-L194 HydrophobicContact CD2-CD1 4.43Å
184	L	98.3	Very high	97.8	Very high	24 Å²	24	32.8 Å²	32.8	13%	0.126	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	131.9	-176.8	-52.1	-173.8	0	0	0	109.5	M118 L137 H139 Y192 A193 V195	M118-L184 HydrophobicContact CE-CD1 4.2Å; L137-L184 HydrophobicContact CB-CD1 4.3Å; L137-L184 HydrophobicContact CD2-CB 4.01Å; H139-L184 HydrophobicContact CB-CB 4.07Å; L184-Y192 CarbonylContact O-C 3.57Å; L184-Y192 VanDerWaalsContact O-CA 3.25Å; L184-Y192 WeakPolarHBondContact O-CA 3.39Å; L184-A193 HydrophobicContact CB-CB 4.34Å; L184-A193 PolarHBondContact N-O 2.86Å; L184-A193 PolarHBondContact O-N 2.68Å; L184-V195 HydrophobicContact CD1-CG1 3.87Å; L184-V195 HydrophobicContact CD2-CG2 4.3Å; L184-V195 HydrophobicContact CG-CG1 4.05Å; L184-V195 HydrophobicContact CG-CG2 4.19Å
185	Y	98.2	Very high	97.8	Very high	5 Å²	5	33.5 Å²	33.5	2%	0.02	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.7	179	171.6	-139.7	0	0	0	110.5	H139 E140 I145 L149 Y157 F183 R187 K190 Y192	H139-Y185 CarbonylContact C-O 3.47Å; H139-Y185 VanDerWaalsContact CA-O 3.28Å; H139-Y185 WeakPolarHBondContact CA-O 3.38Å; H139-Y185 WeakPolarHBondContact CB-O 3.49Å; E140-Y185 PolarHBondContact N-O 3.36Å; I145-Y185 HydrophobicContact CD1-CD1 3.67Å; I145-Y185 HydrophobicContact CD1-CE1 3.96Å; L149-Y185 HydrophobicContact CD2-CE1 3.89Å; Y157-Y185 AromaticContact CD2-CD1 3.66Å; Y157-Y185 HydrophobicContact CD2-CD1 3.66Å; Y157-Y185 HydrophobicContact CD2-CE1 4.14Å; Y157-Y185 AromaticContact CD2-CG 3.9Å; Y157-Y185 HydrophobicContact CD2-CG 3.9Å; Y157-Y185 AromaticContact CE2-CD1 3.93Å; Y157-Y185 HydrophobicContact CE2-CD1 3.93Å; Y157-Y185 HydrophobicContact CE2-CG 4.07Å; F183-Y185 PolarHBondContact O-N 2.77Å; Y185-R187 HydrophobicContact CE1-CB 4.08Å; Y185-R187 HydrophobicContact CE1-CG 4.37Å; Y185-K190 PolarHBondContact OH-NZ 2.59Å; Y185-Y192 AromaticContact CD2-CD1 3.56Å; Y185-Y192 HydrophobicContact CD2-CD1 3.56Å; Y185-Y192 AromaticContact CD2-CE1 3.1Å; Y185-Y192 HydrophobicContact CD2-CE1 3.1Å; Y185-Y192 HydrophobicContact CD2-CG 4.44Å; Y185-Y192 AromaticContact CD2-CZ 3.67Å; Y185-Y192 HydrophobicContact CE2-CD1 4.23Å; Y185-Y192 AromaticContact CE2-CE1 3.34Å; Y185-Y192 HydrophobicContact CE2-CE1 3.34Å; Y185-Y192 HydrophobicContact CE2-CE2 4.42Å; Y185-Y192 AromaticContact CE2-CZ 3.45Å; Y185-Y192 VanDerWaalsContact CE2-CZ 3.45Å; Y185-Y192 VanDerWaalsContact CE2-OH 3.3Å; Y185-Y192 WeakPolarHBondContact CE2-OH 3.01Å; Y185-Y192 HydrophobicContact CG-CD1 4.19Å; Y185-Y192 AromaticContact CG-CE1 3.89Å; Y185-Y192 HydrophobicContact CG-CE1 3.89Å
186	N	97.9	Very high	97.7	Very high	11 Å²	11	34.9 Å²	34.9	6%	0.059	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	110.5	166.3	-168.8	-69.3	0	0	0	109.3	L137 E138 R188 L189 K190 K191	L137-N186 HydrophobicContact CD1-CB 4.07Å; E138-N186 VanDerWaalsContact O-CB 3.28Å; E138-N186 WeakPolarHBondContact O-CB 3.35Å; E138-N186 PolarHBondContact O-ND2 3.06Å; N186-R188 PolarHBondContact OD1-N 3.42Å; N186-L189 HydrophobicContact CB-CB 4.23Å; N186-L189 WeakPolarHBondContact OD1-CB 3.32Å; N186-L189 WeakPolarHBondContact OD1-CG 3.1Å; N186-L189 PolarHBondContact OD1-N 3.38Å; N186-K190 WeakPolarHBondContact O-CA 3.47Å; N186-K190 PolarHBondContact O-N 3.43Å; N186-K191 HydrophobicContact CB-CB 4.38Å; N186-K191 PolarHBondContact N-O 2.87Å; N186-K191 PolarHBondContact O-N 3.47Å
187	R	95.6	Very high	97.7	Very high	44 Å²	44	34.5 Å²	34.5	17%	0.166	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-44.6	-176.3	-173.4	176.8	-174.6	-176.8	-1.1	112.2	E140 S148 E153 Y185 K190	E140-R187 HydrophobicContact CG-CB 3.96Å; S148-R187 PolarHBondContact O-NH1 2.8Å; S148-R187 VanDerWaalsContact O-NH1 3.17Å; S148-R187 PolarHBondContact O-NH2 2.84Å; S148-R187 PolarHBondContact OG-NH1 2.81Å; E153-R187 VanDerWaalsContact OE1-CG 3.32Å; E153-R187 WeakPolarHBondContact OE1-CG 3.45Å; E153-R187 IonicContact OE1-CZ 2.66Å; E153-R187 IonicContact OE1-NE 3.21Å; E153-R187 PolarHBondContact OE1-NE 2.93Å; E153-R187 IonicContact OE1-NH2 2.7Å; E153-R187 IonicContact OE2-CZ 2.69Å; E153-R187 IonicContact OE2-NE 2.7Å; E153-R187 PolarHBondContact OE2-NE 3.47Å; E153-R187 VanDerWaalsContact OE2-NE 3.13Å; E153-R187 IonicContact OE2-NH2 3.24Å; E153-R187 PolarHBondContact OE2-NH2 3.3Å; Y185-R187 HydrophobicContact CE1-CB 4.08Å; Y185-R187 HydrophobicContact CE1-CG 4.37Å; R187-K190 WeakPolarHBondContact O-CD 3.45Å; R187-K190 WeakPolarHBondContact O-CE 3.22Å
188	R	95.8	Very high	97.6	Very high	217 Å²	217	34.4 Å²	34.4	82%	0.819	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-40	-177.6	-177.8	177.8	177.7	174.8	3.1	113.4	N186	N186-R188 PolarHBondContact OD1-N 3.42Å
189	L	96.6	Very high	97.4	Very high	102 Å²	102	35.3 Å²	35.3	53%	0.534	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-6	-177.7	-60.4	178.7	0	0	0	113.3	N186 K191	N186-L189 HydrophobicContact CB-CB 4.23Å; N186-L189 WeakPolarHBondContact OD1-CB 3.32Å; N186-L189 WeakPolarHBondContact OD1-CG 3.1Å; N186-L189 PolarHBondContact OD1-N 3.38Å; L189-K191 HydrophobicContact CB-CB 4.39Å; L189-K191 HydrophobicContact CB-CD 4.33Å; L189-K191 HydrophobicContact CB-CG 4.12Å; L189-K191 PolarHBondContact O-N 2.68Å
190	K	97.1	Very high	97.4	Very high	83 Å²	83	35.5 Å²	35.5	36%	0.361	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	44.1	-172.5	-59.9	-67.6	177.7	172.7	0	112.3	E153 E156 Y185 N186 R187 Y192	E153-K190 IonicContact OE1-NZ 3Å; E153-K190 PolarHBondContact OE1-NZ 3.2Å; E156-K190 WeakPolarHBondContact OE2-CD 3.47Å; E156-K190 WeakPolarHBondContact OE2-CE 3.38Å; E156-K190 IonicContact OE2-NZ 3.54Å; E156-K190 PolarHBondContact OE2-NZ 2.79Å; Y185-K190 PolarHBondContact OH-NZ 2.59Å; N186-K190 WeakPolarHBondContact O-CA 3.47Å; N186-K190 PolarHBondContact O-N 3.43Å; R187-K190 WeakPolarHBondContact O-CD 3.45Å; R187-K190 WeakPolarHBondContact O-CE 3.22Å; K190-Y192 VanDerWaalsContact O-CE2 3.3Å; K190-Y192 WeakPolarHBondContact O-CE2 3.33Å
191	K	98.1	Very high	97.4	Very high	121 Å²	121	36.8 Å²	36.8	53%	0.526	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	142.7	179.7	-76	-172.1	178.2	-174.2	0	111.3	L137 N186 L189	L137-K191 HydrophobicContact CD1-CB 3.88Å; L137-K191 HydrophobicContact CD1-CD 4.44Å; L137-K191 HydrophobicContact CD2-CB 4.4Å; N186-K191 HydrophobicContact CB-CB 4.38Å; N186-K191 PolarHBondContact N-O 2.87Å; N186-K191 PolarHBondContact O-N 3.47Å; L189-K191 HydrophobicContact CB-CB 4.39Å; L189-K191 HydrophobicContact CB-CD 4.33Å; L189-K191 HydrophobicContact CB-CG 4.12Å; L189-K191 PolarHBondContact O-N 2.68Å
192	Y	98.6	Very high	97.4	Very high	13 Å²	13	36.3 Å²	36.3	5%	0.051	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.3	-173.5	-53.5	-93	0	0	0	110.6	Y157 N160 F183 L184 Y185 K190	Y157-Y192 HydrophobicContact CD2-CE1 4.32Å; N160-Y192 HydrophobicContact CB-CD1 3.84Å; N160-Y192 HydrophobicContact CB-CD2 3.44Å; N160-Y192 VanDerWaalsContact CB-CD2 3.44Å; N160-Y192 HydrophobicContact CB-CE1 4.06Å; N160-Y192 HydrophobicContact CB-CE2 3.73Å; N160-Y192 HydrophobicContact CB-CG 3.52Å; N160-Y192 VanDerWaalsContact ND2-CE2 3.26Å; N160-Y192 WeakPolarHBondContact ND2-CE2 3.23Å; F183-Y192 AromaticContact CE1-CD1 3.65Å; F183-Y192 HydrophobicContact CE1-CD1 3.65Å; F183-Y192 HydrophobicContact CE1-CE1 4.5Å; F183-Y192 HydrophobicContact CE1-CG 4.36Å; F183-Y192 AromaticContact CZ-CD1 3.75Å; F183-Y192 HydrophobicContact CZ-CD1 3.75Å; F183-Y192 AromaticContact CZ-CG 3.99Å; F183-Y192 HydrophobicContact CZ-CG 3.99Å; L184-Y192 CarbonylContact O-C 3.57Å; L184-Y192 VanDerWaalsContact O-CA 3.25Å; L184-Y192 WeakPolarHBondContact O-CA 3.39Å; Y185-Y192 AromaticContact CD2-CD1 3.56Å; Y185-Y192 HydrophobicContact CD2-CD1 3.56Å; Y185-Y192 AromaticContact CD2-CE1 3.1Å; Y185-Y192 HydrophobicContact CD2-CE1 3.1Å; Y185-Y192 HydrophobicContact CD2-CG 4.44Å; Y185-Y192 AromaticContact CD2-CZ 3.67Å; Y185-Y192 HydrophobicContact CE2-CD1 4.23Å; Y185-Y192 AromaticContact CE2-CE1 3.34Å; Y185-Y192 HydrophobicContact CE2-CE1 3.34Å; Y185-Y192 HydrophobicContact CE2-CE2 4.42Å; Y185-Y192 AromaticContact CE2-CZ 3.45Å; Y185-Y192 VanDerWaalsContact CE2-CZ 3.45Å; Y185-Y192 VanDerWaalsContact CE2-OH 3.3Å; Y185-Y192 WeakPolarHBondContact CE2-OH 3.01Å; Y185-Y192 HydrophobicContact CG-CD1 4.19Å; Y185-Y192 AromaticContact CG-CE1 3.89Å; Y185-Y192 HydrophobicContact CG-CE1 3.89Å; K190-Y192 VanDerWaalsContact O-CE2 3.3Å; K190-Y192 WeakPolarHBondContact O-CE2 3.33Å
193	A	98.8	Very high	97.4	Very high	7 Å²	7	36.8 Å²	36.8	6%	0.058	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	117.4	172.5	0	0	0	0	0	112.6	N116 M118 L137 F183 L184 V195	N116-A193 CarbonylContact O-C 3.44Å; N116-A193 VanDerWaalsContact O-CA 3.32Å; N116-A193 WeakPolarHBondContact O-CA 3.47Å; M118-A193 HydrophobicContact CE-CB 3.88Å; L137-A193 HydrophobicContact CD2-CB 3.87Å; F183-A193 WeakPolarHBondContact CA-O 3.31Å; L184-A193 HydrophobicContact CB-CB 4.34Å; L184-A193 PolarHBondContact N-O 2.86Å; L184-A193 PolarHBondContact O-N 2.68Å; A193-V195 HydrophobicContact CB-CG1 4.47Å
194	L	98.8	Very high	97.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.8	164.1	-175.1	65.1	0	0	0	109.3	N116 M118 A164 L165 I168 N182 F183	N116-L194 PolarHBondContact O-N 2.9Å; M118-L194 VanDerWaalsContact CB-O 3.22Å; M118-L194 WeakPolarHBondContact CB-O 3.28Å; M118-L194 PolarHBondContact N-O 2.95Å; A164-L194 HydrophobicContact CB-CB 3.8Å; A164-L194 HydrophobicContact CB-CD2 4.02Å; L165-L194 HydrophobicContact CD2-CD2 4.11Å; I168-L194 HydrophobicContact CD1-CD2 3.82Å; I168-L194 HydrophobicContact CG1-CD2 4.32Å; I168-L194 HydrophobicContact CG2-CD2 4.37Å; N182-L194 CarbonylContact O-C 3.55Å; N182-L194 WeakPolarHBondContact O-CA 3.28Å; F183-L194 HydrophobicContact CD2-CB 4.05Å; F183-L194 HydrophobicContact CD2-CD1 4.43Å
195	V	98.4	Very high	96.9	Very high	20 Å²	20	48.3 Å²	48.3	12%	0.121	23%	0.226	C	C	.	.			trans	-129.1	165.5	-175.5	-62.3	0	0	0	0	111.8	M118 H175 N182 L184 A193	M118-V195 HydrophobicContact CB-CG1 3.67Å; M118-V195 HydrophobicContact CE-CG1 3.8Å; M118-V195 HydrophobicContact CG-CG1 3.95Å; H175-V195 PolarHBondContact CE1-O 3.22Å; H175-V195 VanDerWaalsContact CE1-O 3.27Å; H175-V195 PolarHBondContact NE2-O 2.95Å; H175-V195 VanDerWaalsContact NE2-O 3.14Å; N182-V195 HydrophobicContact CB-CG2 4.32Å; N182-V195 WeakPolarHBondContact CB-O 3.33Å; N182-V195 WeakPolarHBondContact O-CG2 3.23Å; N182-V195 PolarHBondContact O-N 3.5Å; L184-V195 HydrophobicContact CD1-CG1 3.87Å; L184-V195 HydrophobicContact CD2-CG2 4.3Å; L184-V195 HydrophobicContact CG-CG1 4.05Å; L184-V195 HydrophobicContact CG-CG2 4.19Å; A193-V195 HydrophobicContact CB-CG1 4.47Å
196	D	96.2	Very high	96.9	Very high	28 Å²	28	48.3 Å²	48.3	15%	0.15	23%	0.226	C	C	.	.			trans	69.6	71.1	175.1	-157.8	-5.1	0	0	0	116.6	K90 H175 G198	K90-D196 IonicContact NZ-OD1 2.72Å; K90-D196 PolarHBondContact NZ-OD1 2.89Å; K90-D196 IonicContact NZ-OD2 2.91Å; H175-D196 PolarHBondContact CE1-O 3.12Å; H175-D196 VanDerWaalsContact CE1-O 3.3Å; H175-D196 PolarHBondContact NE2-O 2.86Å; D196-G198 PolarHBondContact O-N 3.45Å; D196-G198 WeakPolarHBondContact OD1-CA 3.49Å; D196-G198 PolarHBondContact OD1-N 2.92Å
197	F	97.8	Very high	96.9	Very high	3 Å²	3	54.3 Å²	54.3	1%	0.013	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-73.4	8.2	166.4	-63.1	-80.8	0	0	0	114	E104 C107 L108 V117 I168 I173 H175 L199 A200	E104-F197 HydrophobicContact CG-CB 4.06Å; C107-F197 HydrophobicContact CB-CB 3.73Å; C107-F197 HydrophobicContact CB-CD1 3.75Å; C107-F197 HydrophobicContact CB-CD2 3.94Å; C107-F197 HydrophobicContact CB-CE1 4.38Å; C107-F197 HydrophobicContact CB-CG 3.5Å; C107-F197 VanDerWaalsContact CB-CG 3.5Å; L108-F197 HydrophobicContact CD2-CD2 3.72Å; L108-F197 HydrophobicContact CD2-CE2 3.95Å; L108-F197 HydrophobicContact CG-CD2 4.14Å; V117-F197 HydrophobicContact CG1-CE2 3.86Å; V117-F197 HydrophobicContact CG1-CZ 3.56Å; I168-F197 HydrophobicContact CB-CE1 4.44Å; I168-F197 HydrophobicContact CD1-CE1 4.36Å; I168-F197 HydrophobicContact CG2-CE1 3.78Å; I168-F197 HydrophobicContact CG2-CZ 3.79Å; I173-F197 HydrophobicContact CG2-CD1 4.07Å; I173-F197 HydrophobicContact CG2-CE1 4.19Å; H175-F197 AromaticContact CD2-CD1 3.86Å; H175-F197 AromaticContact CD2-CE1 3.63Å; F197-L199 PolarHBondContact O-N 2.8Å; F197-L199 VanDerWaalsContact O-N 3.07Å; F197-A200 HydrophobicContact CB-CB 4.18Å; F197-A200 HydrophobicContact CD1-CB 4.25Å; F197-A200 VanDerWaalsContact O-CB 3.26Å; F197-A200 WeakPolarHBondContact O-CB 3.37Å; F197-A200 PolarHBondContact O-N 2.72Å
198	G	95.7	Very high	97	Very high	3 Å²	3	52.2 Å²	52.2	3%	0.031	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-64.9	-13.4	-177.1	0	0	0	0	0	114	R100 E104 D196	R100-G198 PolarHBondContact NE-O 2.89Å; R100-G198 PolarHBondContact NH2-O 3.29Å; E104-G198 VanDerWaalsContact OE2-CA 3.25Å; E104-G198 WeakPolarHBondContact OE2-CA 3.26Å; D196-G198 PolarHBondContact O-N 3.45Å; D196-G198 WeakPolarHBondContact OD1-CA 3.49Å; D196-G198 PolarHBondContact OD1-N 2.92Å
199	L	96.1	Very high	97	Very high	20 Å²	20	46.3 Å²	46.3	11%	0.105	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-112.6	6.2	172.7	-65.3	175.2	0	0	0	114	F69 R100 R176 D177 F197 A374	F69-L199 HydrophobicContact CD2-CD2 3.98Å; F69-L199 HydrophobicContact CD2-CG 4.34Å; F69-L199 HydrophobicContact CE2-CD1 4.19Å; F69-L199 HydrophobicContact CE2-CD2 3.57Å; F69-L199 HydrophobicContact CE2-CG 4.23Å; F69-L199 HydrophobicContact CZ-CD2 4.01Å; R100-L199 VanDerWaalsContact NH2-CD2 3.29Å; R176-L199 WeakPolarHBondContact CD-O 3.47Å; R176-L199 WeakPolarHBondContact CG-O 3.36Å; D177-L199 HydrophobicContact CB-CB 4.44Å; D177-L199 HydrophobicContact CB-CD1 3.87Å; F197-L199 PolarHBondContact O-N 2.8Å; F197-L199 VanDerWaalsContact O-N 3.07Å; L199-A374 HydrophobicContact CD2-CB 4.01Å
200	A	97.4	Very high	97	Very high	6 Å²	6	43.8 Å²	43.8	5%	0.05	21%	0.212	C	C	.	.			trans	-63.9	150.4	-175.1	0	0	0	0	0	113	I173 V174 F197 L211	I173-A200 HydrophobicContact CG2-CB 3.97Å; V174-A200 VanDerWaalsContact O-CA 3.28Å; V174-A200 WeakPolarHBondContact O-CA 3.35Å; F197-A200 HydrophobicContact CB-CB 4.18Å; F197-A200 HydrophobicContact CD1-CB 4.25Å; F197-A200 VanDerWaalsContact O-CB 3.26Å; F197-A200 WeakPolarHBondContact O-CB 3.37Å; F197-A200 PolarHBondContact O-N 2.72Å; A200-L211 HydrophobicContact CB-CD2 4.3Å
201	Q	96.9	Very high	96.9	Very high	36 Å²	36	40 Å²	40	17%	0.168	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.7	170.4	-73.1	-179.8	-17.7	0	0	109.4	V174 R176 V214	V174-Q201 PolarHBondContact N-O 3.46Å; V174-Q201 PolarHBondContact O-N 3.2Å; R176-Q201 VanDerWaalsContact CD-CD 3.5Å; Q201-V214 HydrophobicContact CG-CG1 4.44Å
202	G	96.9	Very high	96.7	Very high	7 Å²	7	38 Å²	38	7%	0.072	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	164.4	173.1	0	0	0	0	0	111.3	G172 Q215	G172-G202 CarbonylContact O-C 3.52Å; G172-G202 WeakPolarHBondContact O-CA 3.48Å; G202-Q215 PolarHBondContact O-NE2 3.48Å
203	T	96.7	Very high	96.2	Very high	20 Å²	20	42.4 Å²	42.4	12%	0.123	21%	0.207	C	C	.	.			trans	-82.9	176.8	146.7	59.7	0	0	0	0	109.8	G172 V174 D205 T206 Q215 T393	G172-T203 WeakPolarHBondContact CA-OG1 3.49Å; G172-T203 PolarHBondContact O-N 3.32Å; G172-T203 PolarHBondContact O-OG1 3.21Å; V174-T203 HydrophobicContact CG2-CG2 3.91Å; T203-D205 WeakPolarHBondContact CB-OD1 3.4Å; T203-D205 PolarHBondContact O-N 3.15Å; T203-D205 PolarHBondContact OG1-OD1 3.13Å; T203-T206 WeakPolarHBondContact O-CB 3.4Å; T203-T206 WeakPolarHBondContact O-CG2 3.5Å; T203-T206 PolarHBondContact O-N 3.47Å; T203-T206 PolarHBondContact OG1-N 3.39Å; T203-Q215 PolarHBondContact O-NE2 3.3Å; T203-T393 HydrophobicContact CG2-CG2 3.95Å
204	H	93.3	Very high	95.4	Very high	169 Å²	169	43.3 Å²	43.3	78%	0.782	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.9	178	73.2	-52.2	0	0	0	113.7
205	D	95.1	Very high	94	Very high	100 Å²	100	46 Å²	46	54%	0.535	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	18.4	-176.4	59.7	-41.5	0	0	0	112.1	T203 K207	T203-D205 WeakPolarHBondContact CB-OD1 3.4Å; T203-D205 PolarHBondContact O-N 3.15Å; T203-D205 PolarHBondContact OG1-OD1 3.13Å; D205-K207 PolarHBondContact O-N 3.29Å
206	T	97.9	Very high	91.8	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.025	24%	0.236	C	C	.	.			trans	-57.7	134.7	-174.6	-169.1	0	0	0	0	112.9	F171 G172 T203 I208 L211 K212	F171-T206 PolarHBondContact O-OG1 3.28Å; G172-T206 WeakPolarHBondContact O-CB 3.32Å; G172-T206 PolarHBondContact O-OG1 3.03Å; T203-T206 WeakPolarHBondContact O-CB 3.4Å; T203-T206 WeakPolarHBondContact O-CG2 3.5Å; T203-T206 PolarHBondContact O-N 3.47Å; T203-T206 PolarHBondContact OG1-N 3.39Å; T206-I208 VanDerWaalsContact C-N 3.29Å; T206-I208 PolarHBondContact OG1-N 3.42Å; T206-L211 HydrophobicContact CG2-CB 4.33Å; T206-K212 HydrophobicContact CG2-CD 4.47Å; T206-K212 HydrophobicContact CG2-CG 3.52Å; T206-K212 VanDerWaalsContact O-CE 3.32Å; T206-K212 WeakPolarHBondContact O-CE 3.49Å
207	K	97.5	Very high	89.6	Confident	138 Å²	138	50.7 Å²	50.7	60%	0.6	25%	0.25	S	C	*	.	S	Bend	trans	-83	-8.8	175.3	-59.4	-178.3	-173.4	157.6	0	112	Q170 F171 D205	Q170-K207 VanDerWaalsContact O-CE 3.32Å; Q170-K207 WeakPolarHBondContact O-CE 3.25Å; Q170-K207 PolarHBondContact O-NZ 3.03Å; F171-K207 HydrophobicContact CB-CB 4.4Å; F171-K207 HydrophobicContact CD1-CB 4.03Å; F171-K207 HydrophobicContact CD1-CD 4.28Å; F171-K207 PolarHBondContact O-N 3.15Å; D205-K207 PolarHBondContact O-N 3.29Å
208	I	96.9	Very high	87	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.267	C	S	.	.			trans	-93.7	98	176.7	-52.1	-54.7	0	0	0	108.6	Q106 V110 F171 I173 T206 L210 L211	Q106-I208 HydrophobicContact CB-CG2 3.98Å; Q106-I208 HydrophobicContact CG-CG2 3.86Å; Q106-I208 VanDerWaalsContact OE1-CG2 3.25Å; V110-I208 HydrophobicContact CB-CD1 3.81Å; V110-I208 HydrophobicContact CG1-CD1 3.73Å; F171-I208 HydrophobicContact CB-CD1 4.33Å; F171-I208 HydrophobicContact CB-CG1 4.43Å; F171-I208 HydrophobicContact CD1-CD1 4.24Å; I173-I208 HydrophobicContact CD1-CD1 4.18Å; I173-I208 HydrophobicContact CD1-CG1 3.73Å; I173-I208 HydrophobicContact CG1-CG1 3.63Å; T206-I208 VanDerWaalsContact C-N 3.29Å; T206-I208 PolarHBondContact OG1-N 3.42Å; I208-L210 VanDerWaalsContact C-N 3.27Å; I208-L210 PolarHBondContact O-N 3.36Å; I208-L210 VanDerWaalsContact O-N 3.15Å; I208-L211 HydrophobicContact CB-CB 4.27Å; I208-L211 HydrophobicContact CB-CD1 3.84Å; I208-L211 HydrophobicContact CB-CG 4.01Å; I208-L211 HydrophobicContact CG1-CD1 4.23Å; I208-L211 HydrophobicContact CG2-CB 4.28Å; I208-L211 HydrophobicContact CG2-CD1 3.92Å; I208-L211 HydrophobicContact CG2-CG 3.7Å; I208-L211 WeakPolarHBondContact O-CB 3.3Å; I208-L211 PolarHBondContact O-N 2.98Å
209	E	96	Very high	84.6	Confident	92 Å²	92	58.4 Å²	58.4	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-51.9	-42.4	-171.7	-168.2	58	-145.2	0	0	113.4	L211 K212 F213	E209-L211 VanDerWaalsContact C-N 3.29Å; E209-L211 PolarHBondContact O-N 3.07Å; E209-K212 WeakPolarHBondContact O-CB 3.44Å; E209-K212 PolarHBondContact O-N 2.63Å; E209-K212 IonicContact OE1-NZ 3.33Å; E209-K212 IonicContact OE2-NZ 2.64Å; E209-K212 PolarHBondContact OE2-NZ 2.93Å; E209-F213 HydrophobicContact CG-CE2 4.47Å; E209-F213 WeakPolarHBondContact O-CD2 3.33Å
210	L	96.3	Very high	81.9	Confident	49 Å²	49	63.1 Å²	63.1	26%	0.257	31%	0.314	S	S	.	.	H	α-helix	trans	-69.9	-24.1	-177	-65.4	172.8	0	0	0	113.4	A102 A103 Q106 I208 K212 F213 V214	A102-L210 VanDerWaalsContact C-CD1 3.45Å; A102-L210 HydrophobicContact CB-CD1 3.56Å; A102-L210 WeakPolarHBondContact O-CD1 3.36Å; A103-L210 HydrophobicContact CB-CB 3.75Å; Q106-L210 HydrophobicContact CB-CD1 4.27Å; I208-L210 VanDerWaalsContact C-N 3.27Å; I208-L210 PolarHBondContact O-N 3.36Å; I208-L210 VanDerWaalsContact O-N 3.15Å; L210-K212 VanDerWaalsContact C-N 3.26Å; L210-K212 PolarHBondContact O-N 3.38Å; L210-F213 PolarHBondContact O-N 2.65Å; L210-V214 PolarHBondContact O-N 3.44Å
211	L	95.6	Very high	79.3	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-70.6	-20.8	176.9	-73.4	-177.1	0	0	0	113.3	A103 I173 A200 T206 I208 E209 F213 V214 Q215	A103-L211 HydrophobicContact CB-CD2 3.91Å; A103-L211 HydrophobicContact CB-CG 4.43Å; I173-L211 HydrophobicContact CB-CD1 4.49Å; I173-L211 HydrophobicContact CG1-CD1 4.11Å; I173-L211 HydrophobicContact CG2-CD1 4.21Å; A200-L211 HydrophobicContact CB-CD2 4.3Å; T206-L211 HydrophobicContact CG2-CB 4.33Å; I208-L211 HydrophobicContact CB-CB 4.27Å; I208-L211 HydrophobicContact CB-CD1 3.84Å; I208-L211 HydrophobicContact CB-CG 4.01Å; I208-L211 HydrophobicContact CG1-CD1 4.23Å; I208-L211 HydrophobicContact CG2-CB 4.28Å; I208-L211 HydrophobicContact CG2-CD1 3.92Å; I208-L211 HydrophobicContact CG2-CG 3.7Å; I208-L211 WeakPolarHBondContact O-CB 3.3Å; I208-L211 PolarHBondContact O-N 2.98Å; E209-L211 VanDerWaalsContact C-N 3.29Å; E209-L211 PolarHBondContact O-N 3.07Å; L211-F213 VanDerWaalsContact C-N 3.29Å; L211-F213 PolarHBondContact O-N 2.82Å; L211-V214 HydrophobicContact CD2-CG2 4.45Å; L211-V214 PolarHBondContact O-N 2.9Å; L211-Q215 PolarHBondContact O-N 3.29Å
212	K	93.8	Very high	76.6	Confident	81 Å²	81	74.2 Å²	74.2	35%	0.352	36%	0.359	S	S	.	.	H	α-helix	trans	-62.1	-38.9	172.7	-61.4	173.1	-179.8	170.2	0	111.3	T206 E209 L210 S216	T206-K212 HydrophobicContact CG2-CD 4.47Å; T206-K212 HydrophobicContact CG2-CG 3.52Å; T206-K212 VanDerWaalsContact O-CE 3.32Å; T206-K212 WeakPolarHBondContact O-CE 3.49Å; E209-K212 WeakPolarHBondContact O-CB 3.44Å; E209-K212 PolarHBondContact O-N 2.63Å; E209-K212 IonicContact OE1-NZ 3.33Å; E209-K212 IonicContact OE2-NZ 2.64Å; E209-K212 PolarHBondContact OE2-NZ 2.93Å; L210-K212 VanDerWaalsContact C-N 3.26Å; L210-K212 PolarHBondContact O-N 3.38Å; K212-S216 PolarHBondContact O-N 2.98Å
213	F	89.3	Confident	73.5	Confident	104 Å²	104	78.5 Å²	78.5	46%	0.456	39%	0.387	S	S	.	.	H	α-helix	trans	-73.1	-36.8	178.6	-58.5	-83.5	0	0	0	112	V99 E209 L210 L211 Q215 S216 E217	V99-F213 HydrophobicContact CG1-CB 3.99Å; E209-F213 HydrophobicContact CG-CE2 4.47Å; E209-F213 WeakPolarHBondContact O-CD2 3.33Å; L210-F213 PolarHBondContact O-N 2.65Å; L211-F213 VanDerWaalsContact C-N 3.29Å; L211-F213 PolarHBondContact O-N 2.82Å; F213-Q215 VanDerWaalsContact C-N 3.29Å; F213-Q215 PolarHBondContact O-N 3.36Å; F213-S216 WeakPolarHBondContact O-CB 3.36Å; F213-S216 PolarHBondContact O-N 3.25Å; F213-S216 PolarHBondContact O-OG 3.47Å; F213-E217 PolarHBondContact O-N 3.27Å
214	V	81.9	Confident	70.5	Confident	27 Å²	27	82.3 Å²	82.3	16%	0.164	41%	0.414	C	S	.	.	H	α-helix	trans	-62.4	-33	176.2	-179.9	0	0	0	0	112.4	V99 A103 Q201 L210 L211	V99-V214 HydrophobicContact CG1-CG2 4.19Å; A103-V214 HydrophobicContact CB-CG2 4.24Å; Q201-V214 HydrophobicContact CG-CG1 4.44Å; L210-V214 PolarHBondContact O-N 3.44Å; L211-V214 HydrophobicContact CD2-CG2 4.45Å; L211-V214 PolarHBondContact O-N 2.9Å
215	Q	68.8	Low	68.1	Low	55 Å²	55	81.6 Å²	81.6	26%	0.257	41%	0.411	S	S	.	.	H	α-helix	trans	-66.6	-38.8	170.3	-70	175.9	-7.5	0	0	112.6	G202 T203 L211 F213 E217 A218	G202-Q215 PolarHBondContact O-NE2 3.48Å; T203-Q215 PolarHBondContact O-NE2 3.3Å; L211-Q215 PolarHBondContact O-N 3.29Å; F213-Q215 VanDerWaalsContact C-N 3.29Å; F213-Q215 PolarHBondContact O-N 3.36Å; Q215-E217 PolarHBondContact O-N 2.82Å; Q215-A218 PolarHBondContact O-N 3.2Å
216	S	52.8	Low	65.2	Low	52 Å²	52	83 Å²	83	36%	0.364	42%	0.419	S	S	.	.	H	α-helix	trans	-67	-34.3	-169.1	75.1	0	0	0	0	113.1	K212 F213 A218 Q219 Q220	K212-S216 PolarHBondContact O-N 2.98Å; F213-S216 WeakPolarHBondContact O-CB 3.36Å; F213-S216 PolarHBondContact O-N 3.25Å; F213-S216 PolarHBondContact O-OG 3.47Å; S216-A218 VanDerWaalsContact C-N 3.31Å; S216-A218 PolarHBondContact O-N 3.43Å; S216-Q219 CarbonylContact O-C 3.6Å; S216-Q219 WeakPolarHBondContact O-CA 3.34Å; S216-Q219 PolarHBondContact O-N 3.44Å; S216-Q220 PolarHBondContact O-N 3.11Å
217	E	48.1	Very low	62	Low	95 Å²	95	92 Å²	92	44%	0.444	46%	0.457	S	S	.	.	H	α-helix	trans	-58.4	-41	176.3	-69.9	179.9	175.4	0	0	111.7	H97 F213 Q215 Q219 Q220	H97-E217 IonicContact CE1-OE1 2.67Å; H97-E217 PolarHBondContact CE1-OE1 3.33Å; H97-E217 IonicContact ND1-OE1 3.47Å; H97-E217 PolarHBondContact ND1-OE1 2.6Å; F213-E217 PolarHBondContact O-N 3.27Å; Q215-E217 PolarHBondContact O-N 2.82Å; E217-Q219 PolarHBondContact O-N 2.95Å; E217-Q220 PolarHBondContact O-N 3.25Å
218	A	44.6	Very low	58.7	Low	47 Å²	47	90.4 Å²	90.4	39%	0.388	46%	0.464	S	S	.	.	H	α-helix	trans	-70.1	-15.4	176.3	0	0	0	0	0	113.9	Q215 S216	Q215-A218 PolarHBondContact O-N 3.2Å; S216-A218 VanDerWaalsContact C-N 3.31Å; S216-A218 PolarHBondContact O-N 3.43Å
219	Q	45.4	Very low	55.5	Low	121 Å²	121	99 Å²	99	57%	0.565	50%	0.504	S	S	*	.	H	α-helix	trans	-99.5	-20.7	172.5	-62.4	-169	3.1	0	0	112.9	S216 E217 E221 R222	S216-Q219 CarbonylContact O-C 3.6Å; S216-Q219 WeakPolarHBondContact O-CA 3.34Å; S216-Q219 PolarHBondContact O-N 3.44Å; E217-Q219 PolarHBondContact O-N 2.95Å; Q219-E221 VanDerWaalsContact C-N 3.29Å; Q219-E221 PolarHBondContact O-N 2.97Å; Q219-R222 WeakPolarHBondContact O-CA 3.36Å; Q219-R222 WeakPolarHBondContact O-CB 3.28Å; Q219-R222 PolarHBondContact O-N 3.28Å
220	Q	39.3	Very low	52.3	Low	119 Å²	119	102.1 Å²	102.1	56%	0.556	52%	0.522	S	S	*	.	H	α-helix	trans	-67.4	-30.6	-175.3	-136	167.6	7.5	0	0	112.3	S216 E217 R222 C223 S224	S216-Q220 PolarHBondContact O-N 3.11Å; E217-Q220 PolarHBondContact O-N 3.25Å; Q220-R222 PolarHBondContact O-N 3.31Å; Q220-C223 PolarHBondContact O-N 2.88Å; Q220-C223 VanDerWaalsContact O-N 3.07Å; Q220-S224 PolarHBondContact O-N 3.06Å
221	E	42.1	Very low	49.1	Very low	128 Å²	128	107.1 Å²	107.1	60%	0.598	55%	0.547	S	S	*	.	H	α-helix	trans	-58.4	-24.6	167.6	-69.3	-166.8	149.5	0	0	113.4	Q219	Q219-E221 VanDerWaalsContact C-N 3.29Å; Q219-E221 PolarHBondContact O-N 2.97Å
222	R	41.5	Very low	46	Very low	148 Å²	148	113.2 Å²	113.2	56%	0.558	59%	0.585	S	S	*	*	H	α-helix	trans	-77.3	-31.6	173.9	-58.4	-177	173.9	-170.7	-0.1	113	Q219 Q220	Q219-R222 WeakPolarHBondContact O-CA 3.36Å; Q219-R222 WeakPolarHBondContact O-CB 3.28Å; Q219-R222 PolarHBondContact O-N 3.28Å; Q220-R222 PolarHBondContact O-N 3.31Å
223	C	31.5	Very low	42.8	Very low	96 Å²	96	112.8 Å²	112.8	65%	0.649	60%	0.603	S	S	*	*	H	α-helix	trans	-86.1	-37.3	-169.7	-161	0	0	0	0	112.3	Q220 Q225 N226	Q220-C223 PolarHBondContact O-N 2.88Å; Q220-C223 VanDerWaalsContact O-N 3.07Å; C223-Q225 PolarHBondContact O-N 3.39Å; C223-Q225 VanDerWaalsContact O-N 3.1Å; C223-N226 PolarHBondContact O-N 3.06Å
224	S	32.8	Very low	40.2	Very low	101 Å²	101	115.5 Å²	115.5	71%	0.706	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-6	-176.2	-61.6	0	0	0	0	115.5	Q220	Q220-S224 PolarHBondContact O-N 3.06Å
225	Q	43.6	Very low	37.8	Very low	153 Å²	153	124 Å²	124	72%	0.715	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-4.1	-178.8	-65.2	-169.9	-6.8	0	0	115	C223	C223-Q225 PolarHBondContact O-N 3.39Å; C223-Q225 VanDerWaalsContact O-N 3.1Å
226	N	33.2	Very low	36.2	Very low	130 Å²	130	128.9 Å²	128.9	70%	0.695	68%	0.684	S	S	*	*			trans	-107.1	41.3	-179.6	-85.8	7.4	0	0	0	113.2	C223	C223-N226 PolarHBondContact O-N 3.06Å
227	K	31	Very low	35.1	Very low	192 Å²	192	132.2 Å²	132.2	84%	0.835	70%	0.704	S	S	*	*			trans	-93.4	86	163.2	-79.4	-170.8	176.1	-179	0	110.3
228	S	28.9	Very low	34.2	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	72%	0.723	S	S	*	*			trans	-70.2	129.4	160.8	41.2	0	0	0	0	109.5	I230	S228-I230 PolarHBondContact O-N 2.89Å
229	H	29.8	Very low	33.5	Very low	181 Å²	181	138.6 Å²	138.6	84%	0.838	74%	0.743	S	S	*	*			trans	-65.9	112.8	172.1	-84	-99.2	0	0	0	109.8	I231	H229-I231 PolarHBondContact O-N 3Å
230	I	28.6	Very low	32.6	Very low	157 Å²	157	136.4 Å²	136.4	81%	0.805	75%	0.752	S	S	*	*			trans	-79.2	111.1	161.5	-63.7	178.4	0	0	0	106.9	S228	S228-I230 PolarHBondContact O-N 2.89Å
231	I	29.6	Very low	32.5	Very low	154 Å²	154	136.8 Å²	136.8	79%	0.79	77%	0.765	S	S	*	*			trans	-75.5	121.6	173.8	-65.1	173	0	0	0	108	H229 G233	H229-I231 PolarHBondContact O-N 3Å; I231-G233 PolarHBondContact O-N 3.5Å
232	T	30	Very low	31.8	Very low	132 Å²	132	137.5 Å²	137.5	81%	0.81	78%	0.778	S	S	*	*			trans	-72.1	105.6	174.8	25.9	0	0	0	0	111
233	G	26.7	Very low	31.5	Very low	72 Å²	72	136.2 Å²	136.2	74%	0.742	79%	0.789	S	S	*	*			trans	-95.5	112.7	166.8	0	0	0	0	0	111.2	I231 K235	I231-G233 PolarHBondContact O-N 3.5Å; G233-K235 PolarHBondContact O-N 2.7Å
234	N	33.4	Very low	31.3	Very low	161 Å²	161	140.3 Å²	140.3	86%	0.861	80%	0.796	S	S	*	*			trans	-60.2	125.3	173.6	-77.9	-11	0	0	0	111.7
235	K	31.6	Very low	31.1	Very low	205 Å²	205	142.7 Å²	142.7	89%	0.891	80%	0.796	S	S	*	*			trans	-144.6	149.2	143.5	-74.3	-156.7	177.2	-178.1	0	111.8	G233	G233-K235 PolarHBondContact O-N 2.7Å
236	I	35.4	Very low	30.3	Very low	158 Å²	158	142.1 Å²	142.1	81%	0.81	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-80.6	146.3	-169.2	-60.5	147.5	0	0	0	111.4
237	P	30.7	Very low	29.9	Very low	122 Å²	122	142 Å²	142	79%	0.792	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-101	137.2	159.8	34.1	-25.8	0	0	0	112.5
238	L	28.9	Very low	29.8	Very low	162 Å²	162	141 Å²	141	85%	0.848	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-100.8	150.4	170	-86.7	153.4	0	0	0	110.5
239	S	28.7	Very low	29.9	Very low	114 Å²	114	143.9 Å²	143.9	80%	0.797	80%	0.796	S	S	*	*			trans	-14.2	132.8	163.3	51.4	0	0	0	0	116.6
240	G	27.9	Very low	29.7	Very low	74 Å²	74	140.3 Å²	140.3	76%	0.763	79%	0.791	S	S	*	*			cis	117.1	-179.8	49.6	0	0	0	0	0	108.5
241	P	37	Very low	29.5	Very low	128 Å²	128	138.9 Å²	138.9	83%	0.831	79%	0.79	S	S	*	*			cis	-126.1	164.7	-25.2	40.6	-26.1	0	0	0	113.8
242	V	27.7	Very low	29.3	Very low	142 Å²	142	137.5 Å²	137.5	86%	0.861	79%	0.789	S	S	*	*			trans	-142.4	142.9	162.9	178.3	0	0	0	0	108.2
243	P	34.3	Very low	29.2	Very low	121 Å²	121	141.5 Å²	141.5	79%	0.786	80%	0.795	S	S	*	*			trans	-93.1	173.2	-159.3	35.4	-35	0	0	0	117
244	K	27.6	Very low	29.2	Very low	183 Å²	183	142.4 Å²	142.4	80%	0.796	80%	0.796	S	S	*	*			trans	-59.7	175	175.7	-33.9	160	175.3	176.5	0	112.8
245	E	27.9	Very low	28.7	Very low	151 Å²	151	139.8 Å²	139.8	71%	0.706	79%	0.79	S	S	*	*			cis	-141.9	-172.8	17.6	-60.6	-170.5	155.6	0	0	108.8
246	L	26.6	Very low	28.5	Very low	140 Å²	140	135.7 Å²	135.7	73%	0.733	78%	0.782	S	S	*	*			cis	-153.5	-165.7	7.3	-159	65	0	0	0	110.2
247	D	25.2	Very low	28	Very low	129 Å²	129	136.9 Å²	136.9	69%	0.69	78%	0.781	S	S	*	*			trans	-68.3	154.4	-178.6	-63.7	-60	0	0	0	119.6
248	Q	29.3	Very low	27.8	Very low	169 Å²	169	140.6 Å²	140.6	79%	0.79	78%	0.78	S	S	*	*				176.7	125.2	99.6	-102.2	166.7	38.6	0	0	116.4
249	Q	30.3	Very low	27.8	Very low	167 Å²	167	138.4 Å²	138.4	78%	0.78	78%	0.775	S	S	*	*			trans	40.2	114.1	137.7	-63.9	-179.8	-1	0	0	121.7
250	S	25.4	Very low	27.6	Very low	105 Å²	105	141.4 Å²	141.4	73%	0.734	77%	0.77	S	S	*	*				81.6	144.8	101.4	87.7	0	0	0	0	115.5
251	T	25.3	Very low	27.4	Very low	128 Å²	128	144.2 Å²	144.2	79%	0.785	77%	0.773	S	S	*	*			cis	-147.9	160.1	36.1	53.3	0	0	0	0	116
252	T	26.1	Very low	26.8	Very low	125 Å²	125	145.7 Å²	145.7	77%	0.767	77%	0.773	S	S	*	*			trans	-46.2	151.9	175.1	54.6	0	0	0	0	121.2
253	K	27.5	Very low	26.7	Very low	215 Å²	215	143.6 Å²	143.6	94%	0.935	77%	0.771	S	S	*	*				-162.8	157.9	115	-106.4	170.8	-175.4	177.7	0	113.5
254	A	25.6	Very low	26.2	Very low	91 Å²	91	147 Å²	147	75%	0.752	78%	0.777	S	S	*	*			trans	-91.5	146	-160.5	0	0	0	0	0	114.8
255	S	23.9	Very low	26.1	Very low	106 Å²	106	146.4 Å²	146.4	74%	0.741	78%	0.78	S	S	*	*				64.3	133.3	93.8	-148.3	0	0	0	0	114.8
256	V	26.7	Very low	26	Very low	120 Å²	120	147.6 Å²	147.6	73%	0.727	79%	0.786	S	S	*	*				-164.9	137.4	78.4	157.2	0	0	0	0	113.8
257	K	25.5	Very low	25.9	Very low	182 Å²	182	148.8 Å²	148.8	79%	0.791	79%	0.791	S	S	*	*			trans	23	128.9	146.9	-51.1	170.8	-174.5	176.1	0	120.6
258	R	26.9	Very low	25.9	Very low	201 Å²	201	152 Å²	152	76%	0.758	80%	0.799	S	S	*	*				63.5	137.2	65.9	-88	-166.1	-173.8	-179.8	5.6	115.3
259	P	28.6	Very low	25.7	Very low	115 Å²	115	153.4 Å²	153.4	75%	0.747	81%	0.806	S	S	*	*				-142.1	149.6	69.1	36.5	-17	0	0	0	117.2
260	Y	24.1	Very low	25.4	Very low	178 Å²	178	149.3 Å²	149.3	70%	0.698	81%	0.808	S	S	*	*				52.8	142.8	111.1	-71.4	-92	0	0	0	117.3
261	T	24.8	Very low	25.4	Very low	133 Å²	133	153.4 Å²	153.4	82%	0.816	81%	0.812	S	S	*	*			cis	-145	156.9	39.8	44.7	0	0	0	0	115.8
262	N	24	Very low	25.4	Very low	159 Å²	159	155 Å²	155	85%	0.85	82%	0.816	S	S	*	*			trans	-81.7	151.2	162.3	-82.6	-37.3	0	0	0	111
263	A	25.1	Very low	25.4	Very low	98 Å²	98	153 Å²	153	81%	0.81	82%	0.82	S	S	*	*			trans	-138.4	118.7	158.2	0	0	0	0	0	110.5
264	Q	24.9	Very low	25.3	Very low	193 Å²	193	152.5 Å²	152.5	90%	0.902	82%	0.818	S	S	*	*			trans	-89.6	133.8	168.1	-67.6	170	-38.6	0	0	108.8
265	I	24.8	Very low	25.3	Very low	169 Å²	169	157.7 Å²	157.7	87%	0.867	83%	0.827	S	S	*	*			trans	-131.1	143.1	160.2	-64.6	-173.9	0	0	0	109.6
266	Q	24.6	Very low	25.3	Very low	177 Å²	177	156.3 Å²	156.3	83%	0.827	83%	0.829	S	S	*	*			trans	-85.1	154.2	-161.6	-63.9	165.1	-12.9	0	0	113.6
267	I	25.7	Very low	25.2	Very low	164 Å²	164	156.3 Å²	156.3	84%	0.841	84%	0.835	S	S	*	*			trans	-73.3	127.9	167.4	-60.8	169.3	0	0	0	108.9
268	K	24.1	Very low	25.2	Very low	198 Å²	198	153.9 Å²	153.9	86%	0.861	84%	0.835	S	S	*	*			trans	-123.9	132.9	161.2	-96.4	-173.6	174.7	-179.8	0	110.4
269	Q	25.9	Very low	25	Very low	198 Å²	198	147.9 Å²	147.9	93%	0.925	84%	0.835	S	S	*	*			trans	-78.2	143.5	170.1	-66.3	177.3	-9	0	0	109.9
270	G	24	Very low	24.8	Very low	80 Å²	80	149.5 Å²	149.5	83%	0.825	84%	0.837	S	S	*	*			trans	-146.9	133.5	168.5	0	0	0	0	0	108.9
271	K	25.2	Very low	24.8	Very low	192 Å²	192	146.4 Å²	146.4	84%	0.835	84%	0.841	S	S	*	*			trans	-107.5	164.4	-178.9	-109.3	-172.5	179.4	-178.2	0	110.7
272	D	25.8	Very low	24.8	Very low	161 Å²	161	146 Å²	146	86%	0.861	84%	0.838	S	S	*	*			trans	80.2	137.9	161.7	-54.1	-34.8	0	0	0	118.4
273	G	25.1	Very low	24.7	Very low	83 Å²	83	147.3 Å²	147.3	86%	0.856	84%	0.839	S	S	*	*			trans	145.8	83.1	-174.2	0	0	0	0	0	112.1
274	K	26.7	Very low	24.6	Very low	204 Å²	204	153.7 Å²	153.7	89%	0.887	84%	0.842	S	S	*	*			trans	-83.4	130.6	173.3	-85.1	178.7	174.4	174.9	0	110.6
275	E	25.4	Very low	24.7	Very low	201 Å²	201	149.4 Å²	149.4	94%	0.939	83%	0.834	S	S	*	*			trans	-177.9	146.5	141.2	-101.9	163.6	-151.5	0	0	106
276	G	23.8	Very low	24.7	Very low	77 Å²	77	146.6 Å²	146.6	79%	0.794	82%	0.824	S	S	*	*			cis	147.8	54.5	12.7	0	0	0	0	0	110
277	S	24.7	Very low	24.9	Very low	120 Å²	120	145.5 Å²	145.5	84%	0.839	82%	0.817	S	S	*	*			trans	-145.6	126.4	175.8	-167	0	0	0	0	113.1	G279	S277-G279 PolarHBondContact O-N 2.82Å
278	V	24.4	Very low	25.1	Very low	131 Å²	131	140.5 Å²	140.5	79%	0.794	81%	0.805	S	S	*	*			trans	-89	94.3	-175.4	180	0	0	0	0	109.3	L280	V278-L280 HydrophobicContact CG1-CG 4.48Å; V278-L280 PolarHBondContact O-N 3.3Å
279	G	24	Very low	25.9	Very low	74 Å²	74	134.5 Å²	134.5	76%	0.763	78%	0.78	S	S	*	*			trans	-73.5	86.6	173.2	0	0	0	0	0	112.2	S277 S281	S277-G279 PolarHBondContact O-N 2.82Å; G279-S281 PolarHBondContact O-N 3.02Å; G279-S281 VanDerWaalsContact O-N 3.11Å
280	L	24.8	Very low	26.9	Very low	149 Å²	149	132.8 Å²	132.8	78%	0.78	77%	0.766	S	S	*	*			trans	-63.7	108.2	167.3	-79	166.8	0	0	0	109.6	V278 V282	V278-L280 HydrophobicContact CG1-CG 4.48Å; V278-L280 PolarHBondContact O-N 3.3Å; L280-V282 VanDerWaalsContact C-N 3.29Å; L280-V282 PolarHBondContact O-N 3.46Å
281	S	24.1	Very low	28.2	Very low	113 Å²	113	132.3 Å²	132.3	79%	0.79	74%	0.744	S	S	*	*			trans	-73.3	79.7	177.7	63.9	0	0	0	0	111.2	G279 Q283	G279-S281 PolarHBondContact O-N 3.02Å; G279-S281 VanDerWaalsContact O-N 3.11Å; S281-Q283 PolarHBondContact O-N 3.19Å; S281-Q283 VanDerWaalsContact O-N 3.07Å
282	V	23.7	Very low	29.4	Very low	125 Å²	125	126.3 Å²	126.3	76%	0.758	72%	0.718	S	S	*	*			trans	-71.5	101	169.7	-179.3	0	0	0	0	108.2	L280 R284	L280-V282 VanDerWaalsContact C-N 3.29Å; L280-V282 PolarHBondContact O-N 3.46Å; V282-R284 PolarHBondContact O-N 2.88Å
283	Q	22.5	Very low	30.1	Very low	187 Å²	187	120.8 Å²	120.8	87%	0.874	69%	0.689	S	S	*	*			trans	-58.9	108.8	168	-71.8	-177	-56.4	0	0	108.7	S281 S285	S281-Q283 PolarHBondContact O-N 3.19Å; S281-Q283 VanDerWaalsContact O-N 3.07Å; Q283-S285 PolarHBondContact O-N 2.87Å
284	R	23.4	Very low	30.8	Very low	232 Å²	232	122.4 Å²	122.4	88%	0.875	68%	0.677	S	S	*	*			trans	-74.1	121.8	178.1	-134.7	176.7	-169.9	-171.1	1.2	108.8	V282 V286	V282-R284 PolarHBondContact O-N 2.88Å; R284-V286 PolarHBondContact O-N 2.93Å
285	S	25.2	Very low	30.9	Very low	102 Å²	102	121.8 Å²	121.8	71%	0.713	68%	0.676	S	S	*	*			trans	-59.9	132.5	-177.9	-172.7	0	0	0	0	111.6	Q283 F287	Q283-S285 PolarHBondContact O-N 2.87Å; S285-F287 PolarHBondContact O-N 3.49Å
286	V	26.1	Very low	30.9	Very low	110 Å²	110	116.9 Å²	116.9	67%	0.667	66%	0.664	S	S	*	*			trans	-90.1	74.7	-174.9	-173.7	0	0	0	0	109.6	R284	R284-V286 PolarHBondContact O-N 2.93Å
287	F	27.4	Very low	30.9	Very low	155 Å²	155	117.9 Å²	117.9	68%	0.68	66%	0.659	S	S	*	*			trans	-141.9	128.1	175.2	-96.2	-77.7	0	0	0	113.1	S285	S285-F287 PolarHBondContact O-N 3.49Å
288	G	30.6	Very low	31.2	Very low	58 Å²	58	120 Å²	120	60%	0.598	66%	0.659	S	S	*	*			trans	93.7	90.1	160.3	0	0	0	0	0	115.2
289	E	41.4	Very low	31.2	Very low	72 Å²	72	119 Å²	119	34%	0.336	66%	0.658	S	S	.	*			trans	-61.2	129.8	141.7	-85.7	156.4	-156.5	0	0	108.1	E66 K179 S181	E66-E289 WeakPolarHBondContact O-CA 3.32Å; K179-E289 WeakPolarHBondContact CE-OE2 3.22Å; K179-E289 IonicContact NZ-OE1 3.89Å; K179-E289 PolarHBondContact NZ-OE1 2.86Å; K179-E289 IonicContact NZ-OE2 2.8Å; K179-E289 PolarHBondContact NZ-OE2 3.48Å; S181-E289 PolarHBondContact OG-OE2 2.79Å
290	R	46.8	Very low	31.2	Very low	163 Å²	163	123.8 Å²	123.8	62%	0.615	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.3	115.1	176.7	-65.3	-179.3	-170.4	156.6	3.2	108.2	G65 E66 F292	G65-R290 WeakPolarHBondContact CA-O 3.49Å; E66-R290 PolarHBondContact N-O 2.87Å; R290-F292 HydrophobicContact CB-CD2 4.19Å; R290-F292 HydrophobicContact CB-CE1 4.37Å; R290-F292 HydrophobicContact CB-CE2 3.64Å; R290-F292 HydrophobicContact CB-CZ 3.76Å; R290-F292 WeakPolarHBondContact O-CD2 3.45Å; R290-F292 WeakPolarHBondContact O-CE2 3.45Å
291	N	50.3	Low	31.3	Very low	69 Å²	69	125.9 Å²	125.9	37%	0.369	67%	0.666	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.5	123.9	163.1	-68	-6.8	0	0	0	107.1
292	F	52	Low	31.3	Very low	66 Å²	66	125.6 Å²	125.6	29%	0.289	66%	0.664	S	S	.	*			trans	-102	4.4	-177.3	-66.2	-90.2	0	0	0	112.9	K63 I64 E66 R290 I294	K63-F292 WeakPolarHBondContact O-CB 3.35Å; K63-F292 WeakPolarHBondContact O-CD2 3.48Å; K63-F292 WeakPolarHBondContact O-CG 3.39Å; I64-F292 PolarHBondContact O-N 2.87Å; E66-F292 HydrophobicContact CB-CE2 4.11Å; R290-F292 HydrophobicContact CB-CD2 4.19Å; R290-F292 HydrophobicContact CB-CE1 4.37Å; R290-F292 HydrophobicContact CB-CE2 3.64Å; R290-F292 HydrophobicContact CB-CZ 3.76Å; R290-F292 WeakPolarHBondContact O-CD2 3.45Å; R290-F292 WeakPolarHBondContact O-CE2 3.45Å; F292-I294 PolarHBondContact O-N 3.24Å
293	N	40.7	Very low	31.4	Very low	46 Å²	46	125.3 Å²	125.3	25%	0.246	67%	0.665	C	S	.	*			trans	-67.9	72.5	173.4	-81.5	-5	0	0	0	111.7	I64 Y136 H139	I64-N293 WeakPolarHBondContact CG2-OD1 3.17Å; Y136-N293 PolarHBondContact OH-ND2 3.11Å; H139-N293 PolarHBondContact CE1-ND2 3.19Å; H139-N293 PolarHBondContact NE2-ND2 3.12Å
294	I	39.7	Very low	31.5	Very low	117 Å²	117	121 Å²	121	60%	0.6	66%	0.661	S	S	*	*			trans	-138.3	111.7	174.6	-58.2	179.8	0	0	0	110.2	F292	F292-I294 PolarHBondContact O-N 3.24Å
295	H	28.6	Very low	31.7	Very low	190 Å²	190	116.5 Å²	116.5	88%	0.88	66%	0.659	S	S	*	*			trans	-83.5	126.1	147.7	-85.9	-77.5	0	0	0	107.8	S297	H295-S297 PolarHBondContact O-N 3.33Å
296	S	25.1	Very low	31.7	Very low	99 Å²	99	121.3 Å²	121.3	69%	0.692	67%	0.667	S	S	*	*			trans	-77.8	117.3	-171.4	56.1	0	0	0	0	112.8
297	S	24.6	Very low	31.7	Very low	97 Å²	97	124.1 Å²	124.1	68%	0.678	68%	0.678	S	S	*	*			trans	-110.5	137.8	158.1	39.6	0	0	0	0	109.9	H295	H295-S297 PolarHBondContact O-N 3.33Å
298	I	29.5	Very low	31.5	Very low	164 Å²	164	125.2 Å²	125.2	84%	0.841	69%	0.687	S	S	*	*			trans	-80.6	131.1	-172.4	-65.1	159.9	0	0	0	109.2
299	S	25.8	Very low	31.3	Very low	110 Å²	110	132.6 Å²	132.6	77%	0.769	70%	0.703	S	S	*	*			trans	-124.7	143.9	165.5	59.4	0	0	0	0	110.6
300	H	23.6	Very low	30.5	Very low	175 Å²	175	138.3 Å²	138.3	81%	0.81	73%	0.729	S	S	*	*			trans	-76.2	135.6	-166.1	-73.2	-114	0	0	0	112.7
301	E	26	Very low	29.5	Very low	194 Å²	194	135.9 Å²	135.9	91%	0.907	74%	0.737	S	S	*	*			trans	-74.3	143.4	157	-74.7	-164.9	154.2	0	0	110.1
302	S	23.4	Very low	28.6	Very low	107 Å²	107	142.5 Å²	142.5	75%	0.748	76%	0.763	S	S	*	*			trans	-149.1	151	170.1	-82.2	0	0	0	0	109.3
303	P	26.2	Very low	27.4	Very low	118 Å²	118	146.1 Å²	146.1	77%	0.766	79%	0.79	S	S	*	*	P	Polyproline II helix		-94.6	137.4	-111.8	28.9	-34.5	0	0	0	114.6	V305	P303-V305 PolarHBondContact O-N 3.48Å
304	A	25.7	Very low	26.8	Very low	96 Å²	96	150.3 Å²	150.3	79%	0.793	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-63.2	125.4	168.4	0	0	0	0	0	111	K306	A304-K306 PolarHBondContact O-N 3.38Å
305	V	26.9	Very low	26.3	Very low	139 Å²	139	151.9 Å²	151.9	84%	0.842	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-60.1	120.4	174.3	177	0	0	0	0	109.5	P303 L307	P303-V305 PolarHBondContact O-N 3.48Å; V305-L307 PolarHBondContact O-N 3.39Å; V305-L307 VanDerWaalsContact O-N 3.13Å
306	K	26.2	Very low	26.2	Very low	202 Å²	202	149.2 Å²	149.2	88%	0.878	82%	0.824	S	S	*	*			trans	-64.7	109.4	174.6	-75	174.4	177.4	168.7	0	110	A304	A304-K306 PolarHBondContact O-N 3.38Å
307	L	24.7	Very low	26.4	Very low	170 Å²	170	152 Å²	152	89%	0.89	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-92.9	136.1	157.7	-145.9	74.1	0	0	0	109.6	V305	V305-L307 PolarHBondContact O-N 3.39Å; V305-L307 VanDerWaalsContact O-N 3.13Å
308	M	24	Very low	26.7	Very low	177 Å²	177	153.1 Å²	153.1	87%	0.872	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-69.3	145.5	-164.7	-61.8	169	85.6	0	0	112.7	Q310	M308-Q310 PolarHBondContact O-N 2.99Å
309	K	26.2	Very low	26.8	Very low	214 Å²	214	156.8 Å²	156.8	93%	0.93	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-57.9	122.9	163.4	-82.4	178	172.7	174.4	0	109.3
310	Q	25.5	Very low	27	Very low	191 Å²	191	161.3 Å²	161.3	89%	0.893	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-100.8	156.3	156.1	-76.3	-168.9	-12.2	0	0	111	M308	M308-Q310 PolarHBondContact O-N 2.99Å
311	S	25.4	Very low	27.1	Very low	112 Å²	112	161 Å²	161	78%	0.783	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-84.3	160.7	-159.4	36.9	0	0	0	0	114.3
312	K	30	Very low	27.1	Very low	209 Å²	209	156.3 Å²	156.3	91%	0.909	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-55.7	136.8	175.5	-59.9	173.7	178.2	179	0	111.6
313	T	27	Very low	27.5	Very low	141 Å²	141	157.8 Å²	157.8	87%	0.865	85%	0.85	S	S	*	*			trans	-117.5	160	158.1	43.3	0	0	0	0	110.3
314	V	28.3	Very low	27.7	Very low	134 Å²	134	162.1 Å²	162.1	81%	0.812	86%	0.856	S	S	*	*			trans	-96.2	150.1	-150.8	174.5	0	0	0	0	113.2
315	D	29.3	Very low	28	Very low	151 Å²	151	167.6 Å²	167.6	81%	0.807	86%	0.862	S	S	*	*			trans	-46.2	137.2	169.4	-101.1	-54.6	0	0	0	113.7
316	V	28	Very low	28	Very low	133 Å²	133	170.3 Å²	170.3	81%	0.806	86%	0.863	S	S	*	*			trans	-120.3	99.4	167.4	-179.6	0	0	0	0	109.8
317	L	28.8	Very low	28.3	Very low	157 Å²	157	165.3 Å²	165.3	82%	0.822	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-63.4	129.2	173.7	-79	156.7	0	0	0	112	R319	L317-R319 PolarHBondContact O-N 2.87Å
318	S	31.2	Very low	28.5	Very low	121 Å²	121	164.7 Å²	164.7	85%	0.846	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-64.2	117.3	168.9	-66.7	0	0	0	0	111.1	K320	S318-K320 PolarHBondContact O-N 3.2Å
319	R	29.9	Very low	28.6	Very low	242 Å²	242	161.7 Å²	161.7	91%	0.913	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-66.9	122.6	-179.1	-88.2	176	-87.8	-165.2	-6.4	112	L317	L317-R319 PolarHBondContact O-N 2.87Å
320	K	29.9	Very low	28.7	Very low	205 Å²	205	155.8 Å²	155.8	89%	0.891	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-68.9	126.3	158.7	-69.9	177.6	178.2	175	0	108.9	S318	S318-K320 PolarHBondContact O-N 3.2Å
321	L	26.4	Very low	28.9	Very low	168 Å²	168	156.1 Å²	156.1	88%	0.88	84%	0.841	S	S	*	*			trans	-96.4	115	163.2	-93.6	160.8	0	0	0	108.9
322	A	26.9	Very low	29.3	Very low	96 Å²	96	157.2 Å²	157.2	79%	0.793	84%	0.842	S	S	*	*			trans	-96.3	122.2	172.2	0	0	0	0	0	109.5
323	T	32	Very low	29.2	Very low	138 Å²	138	155.9 Å²	155.9	85%	0.847	84%	0.842	S	S	*	*			trans	-112.8	145.5	166.1	45.7	0	0	0	0	110.1
324	K	29.9	Very low	29.5	Very low	209 Å²	209	157 Å²	157	91%	0.909	84%	0.842	S	S	*	*			trans	-72	148.4	-160.6	-68	174.4	176.5	176	0	113
325	K	31.3	Very low	29.7	Very low	211 Å²	211	155.2 Å²	155.2	92%	0.917	84%	0.836	S	S	*	*			trans	-53.8	135.7	165.9	-72.7	179.1	174.5	178.6	0	110.8
326	K	27.2	Very low	30.3	Very low	196 Å²	196	151.9 Å²	151.9	85%	0.852	84%	0.837	S	S	*	*			trans	-137.3	120	147.6	-157.4	174.7	-173.4	-179	0	107.5
327	A	32.4	Very low	30.5	Very low	97 Å²	97	152.1 Å²	152.1	80%	0.802	84%	0.839	S	S	*	*			trans	-97	126.2	-179.6	0	0	0	0	0	109.5
328	I	29.2	Very low	30.7	Very low	156 Å²	156	152.3 Å²	152.3	80%	0.8	84%	0.837	S	S	*	*			trans	-138.2	138.8	162.9	-59.7	-176.3	0	0	0	107.5
329	S	26.7	Very low	31	Very low	114 Å²	114	158.4 Å²	158.4	80%	0.797	84%	0.842	S	S	*	*			trans	-81.4	145.8	-175.7	178	0	0	0	0	112.5
330	A	27.8	Very low	31.2	Very low	90 Å²	90	156.3 Å²	156.3	74%	0.744	84%	0.839	S	S	*	*				-174	137.1	128.1	0	0	0	0	0	114
331	K	28.4	Very low	31.5	Very low	198 Å²	198	152.6 Å²	152.6	86%	0.861	83%	0.834	S	S	*	*			trans	46.8	112.6	152.8	-78.6	179.8	173.4	176	0	120.6	M333	K331-M333 PolarHBondContact O-N 2.75Å
332	V	34	Very low	32.3	Very low	135 Å²	135	149.5 Å²	149.5	82%	0.818	83%	0.833	S	S	*	*			trans	-39.7	125.7	140.9	176	0	0	0	0	111.1
333	M	28.5	Very low	33.3	Very low	181 Å²	181	149.8 Å²	149.8	89%	0.892	83%	0.829	S	S	*	*			trans	-129.6	118.3	150.1	-105.3	-171.8	165.6	0	0	108.9	K331 S335	K331-M333 PolarHBondContact O-N 2.75Å; M333-S335 PolarHBondContact O-N 3.15Å
334	N	34.2	Very low	34.5	Very low	165 Å²	165	148.4 Å²	148.4	88%	0.882	82%	0.824	S	S	*	*			trans	-78.6	104.2	177.6	-144.1	15.3	0	0	0	107.8
335	S	32.2	Very low	35.7	Very low	97 Å²	97	140.9 Å²	140.9	68%	0.678	80%	0.798	S	S	*	*			trans	-123.3	104.1	166.5	54.3	0	0	0	0	109	M333 V337	M333-S335 PolarHBondContact O-N 3.15Å; S335-V337 PolarHBondContact O-N 3.08Å
336	G	41.3	Very low	37.1	Very low	80 Å²	80	134.6 Å²	134.6	83%	0.825	78%	0.778	S	S	*	*			trans	-69.6	95.7	-175.6	0	0	0	0	0	111.9	M338	G336-M338 PolarHBondContact O-N 3.47Å
337	V	32.9	Very low	38.8	Very low	139 Å²	139	129.5 Å²	129.5	84%	0.842	77%	0.773	S	S	*	*			trans	-87.3	93.9	160.9	-175.7	0	0	0	0	107.5	S335 R339	S335-V337 PolarHBondContact O-N 3.08Å; V337-R339 PolarHBondContact O-N 3.25Å
338	M	32.9	Very low	40.3	Very low	160 Å²	160	129.9 Å²	129.9	79%	0.788	77%	0.77	S	S	*	*			trans	-48.9	140.3	170.5	-63.7	172.5	72.7	0	0	109.6	G336 K340	G336-M338 PolarHBondContact O-N 3.47Å; M338-K340 VanDerWaalsContact C-N 3.26Å; M338-K340 PolarHBondContact O-N 3.26Å
339	R	37.3	Very low	43	Very low	250 Å²	250	126.3 Å²	126.3	94%	0.943	75%	0.752	S	S	*	*			trans	-57.5	96.4	159.6	-81.3	-178.5	171.7	175.1	-2.8	107.2	V337 T341	V337-R339 PolarHBondContact O-N 3.25Å; R339-T341 PolarHBondContact O-N 2.96Å; R339-T341 VanDerWaalsContact O-N 3.1Å
340	K	34.4	Very low	46	Very low	197 Å²	197	126.7 Å²	126.7	86%	0.857	75%	0.749	S	S	*	*			trans	-59.3	119.4	170	-83.2	-172.9	174.5	-179.6	0	106.8	M338	M338-K340 VanDerWaalsContact C-N 3.26Å; M338-K340 PolarHBondContact O-N 3.26Å
341	T	35.6	Very low	49.2	Very low	128 Å²	128	123.2 Å²	123.2	79%	0.785	72%	0.72	S	S	*	*			trans	-45.8	145.8	160.6	40.1	0	0	0	0	108.9	R339 S343	R339-T341 PolarHBondContact O-N 2.96Å; R339-T341 VanDerWaalsContact O-N 3.1Å; T341-S343 PolarHBondContact O-N 3.3Å
342	A	43.9	Very low	52.4	Low	103 Å²	103	121.4 Å²	121.4	85%	0.851	72%	0.719	S	S	*	*			trans	-54.6	106.6	-179.7	0	0	0	0	0	109.3	S344	A342-S344 PolarHBondContact O-N 3.33Å
343	S	46.8	Very low	55.3	Low	102 Å²	102	115.9 Å²	115.9	71%	0.713	69%	0.687	S	S	*	*			trans	-63	107	177.5	174.7	0	0	0	0	107.2	T341 C345	T341-S343 PolarHBondContact O-N 3.3Å; S343-C345 PolarHBondContact O-N 3.09Å
344	S	57.5	Low	58.5	Low	108 Å²	108	115.4 Å²	115.4	76%	0.755	68%	0.676	S	S	*	*			trans	-59.2	103.5	178	53.6	0	0	0	0	109	A342 P346	A342-S344 PolarHBondContact O-N 3.33Å; S344-P346 WeakPolarHBondContact O-CD 3.37Å
345	C	54.8	Low	61.3	Low	51 Å²	51	110.4 Å²	110.4	35%	0.345	66%	0.658	S	S	.	*			trans	-60.1	126.2	175.3	-76.9	0	0	0	0	108.8	S343 A347 S365	S343-C345 PolarHBondContact O-N 3.09Å; C345-A347 PolarHBondContact O-N 2.74Å; C345-S365 PolarHBondContact SG-OG 3.31Å
346	P	62	Low	64.3	Low	79 Å²	79	108.3 Å²	108.3	51%	0.513	64%	0.641	S	S	.	*			trans	-47.8	131.4	173	-30	32.5	0	0	0	111.8	S344 S348 L349	S344-P346 WeakPolarHBondContact O-CD 3.37Å; P346-S348 PolarHBondContact O-N 2.93Å; P346-L349 HydrophobicContact CB-CD1 4.18Å; P346-L349 HydrophobicContact CB-CG 4.21Å; P346-L349 HydrophobicContact CG-CD1 4.05Å; P346-L349 PolarHBondContact O-N 3.11Å; P346-L349 VanDerWaalsContact O-N 3.11Å
347	A	61.2	Low	66.9	Low	90 Å²	90	111.4 Å²	111.4	74%	0.744	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-12.2	-173.6	0	0	0	0	0	114.3	C345	C345-A347 PolarHBondContact O-N 2.74Å
348	S	65.9	Low	70	Confident	105 Å²	105	111.6 Å²	111.6	73%	0.734	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-5.6	179.6	49.1	0	0	0	0	114.9	P346 T350	P346-S348 PolarHBondContact O-N 2.93Å; S348-T350 PolarHBondContact O-N 3.31Å
349	L	84.4	Confident	73	Confident	81 Å²	81	109.1 Å²	109.1	42%	0.424	62%	0.621	S	S	.	*			trans	-71.4	114.1	-179.7	-76.4	168.5	0	0	0	111.7	P346 I362 R366	P346-L349 HydrophobicContact CB-CD1 4.18Å; P346-L349 HydrophobicContact CB-CG 4.21Å; P346-L349 HydrophobicContact CG-CD1 4.05Å; P346-L349 PolarHBondContact O-N 3.11Å; P346-L349 VanDerWaalsContact O-N 3.11Å; L349-I362 HydrophobicContact CB-CG2 4.22Å; L349-R366 PolarHBondContact O-NH2 3.39Å
350	T	91.1	Very high	75.8	Confident	121 Å²	121	99 Å²	99	74%	0.742	59%	0.588	S	S	*	*			trans	-76.8	173.4	169.7	53.9	0	0	0	0	111.5	S348	S348-T350 PolarHBondContact O-N 3.31Å
351	C	94.1	Very high	78.6	Confident	18 Å²	18	94.3 Å²	94.3	12%	0.122	58%	0.581	C	S	.	*			trans	-159.4	149.2	174.3	60.5	0	0	0	0	110.1	C353 Y354 I362 R366	C351-C353 PolarHBondContact O-N 2.9Å; C351-Y354 PolarHBondContact O-N 3.3Å; C351-I362 HydrophobicContact CB-CB 4.14Å; C351-I362 HydrophobicContact CB-CD1 4.38Å; C351-I362 HydrophobicContact CB-CG2 4.15Å; C351-R366 PolarHBondContact SG-NH2 3.22Å
352	D	95.3	Very high	81.4	Confident	159 Å²	159	91.1 Å²	91.1	85%	0.85	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	0.7	-174.9	-47.4	-49.3	0	0	0	114.4	Y354	D352-Y354 PolarHBondContact O-N 2.79Å
353	C	95.9	Very high	83.7	Confident	20 Å²	20	87.7 Å²	87.7	14%	0.135	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-13.7	170.2	-60.2	0	0	0	0	113.6	C351 A355 T356 K358	C351-C353 PolarHBondContact O-N 2.9Å; C353-A355 PolarHBondContact O-N 3.31Å; C353-T356 VanDerWaalsContact C-OG1 3.29Å; C353-T356 WeakPolarHBondContact CA-OG1 3.3Å; C353-T356 PolarHBondContact O-N 3.38Å; C353-T356 PolarHBondContact O-OG1 2.77Å; C353-K358 HydrophobicContact CB-CB 4.46Å; C353-K358 WeakPolarHBondContact CB-O 3.4Å
354	Y	95	Very high	86	Confident	171 Å²	171	88.8 Å²	88.8	67%	0.671	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	129.3	-174.9	-180	-97.2	0	0	0	112.1	C351 D352 T356	C351-Y354 PolarHBondContact O-N 3.3Å; D352-Y354 PolarHBondContact O-N 2.79Å; Y354-T356 PolarHBondContact O-N 3.3Å
355	A	93.2	Very high	87.7	Confident	60 Å²	60	86.5 Å²	86.5	50%	0.496	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	25.2	-174.3	0	0	0	0	0	115.1	C353	C353-A355 PolarHBondContact O-N 3.31Å
356	T	96	Very high	89.4	Confident	53 Å²	53	89.5 Å²	89.5	33%	0.325	51%	0.513	S	S	.	.	S	Bend	trans	-122.5	168.3	171.9	73.4	0	0	0	0	111.2	C353 Y354 K358 L448	C353-T356 VanDerWaalsContact C-OG1 3.29Å; C353-T356 WeakPolarHBondContact CA-OG1 3.3Å; C353-T356 PolarHBondContact O-N 3.38Å; C353-T356 PolarHBondContact O-OG1 2.77Å; Y354-T356 PolarHBondContact O-N 3.3Å; T356-K358 PolarHBondContact O-N 3.01Å; T356-K358 WeakPolarHBondContact OG1-CB 3.27Å; T356-K358 PolarHBondContact OG1-N 2.8Å; T356-L448 VanDerWaalsContact O-CD2 3.3Å; T356-L448 WeakPolarHBondContact O-CD2 3.36Å
357	D	95.4	Very high	90.8	Very high	145 Å²	145	94.9 Å²	94.9	78%	0.775	52%	0.523	S	S	*	.	S	Bend	trans	-76	-4.4	173.5	63.9	-22.3	0	0	0	113.8
358	K	96.9	Very high	92.3	Very high	143 Å²	143	99 Å²	99	62%	0.622	53%	0.527	S	S	*	.			trans	-78.3	151.5	-175.8	-59.1	175.9	-177.3	172.4	0	112.1	C353 T356	C353-K358 HydrophobicContact CB-CB 4.46Å; C353-K358 WeakPolarHBondContact CB-O 3.4Å; T356-K358 PolarHBondContact O-N 3.01Å; T356-K358 WeakPolarHBondContact OG1-CB 3.27Å; T356-K358 PolarHBondContact OG1-N 2.8Å
359	V	96.8	Very high	93.5	Very high	107 Å²	107	98.5 Å²	98.5	65%	0.648	51%	0.513	S	S	*	.			trans	-126.1	151.2	168.5	-64.4	0	0	0	0	110.7	L364	V359-L364 HydrophobicContact CB-CD1 4.26Å; V359-L364 HydrophobicContact CB-CD2 4.49Å; V359-L364 HydrophobicContact CB-CG 4.39Å; V359-L364 HydrophobicContact CG2-CD1 4.38Å
360	C	95.3	Very high	93.8	Very high	37 Å²	37	98.9 Å²	98.9	25%	0.25	52%	0.519	C	S	.	.			trans	-143.3	168.2	176.3	68.7	0	0	0	0	111	I362 C363 L364	C360-I362 PolarHBondContact O-N 3.22Å; C360-C363 PolarHBondContact N-SG 3.18Å; C360-C363 PolarHBondContact O-N 3.44Å; C360-C363 PolarHBondContact O-SG 3.27Å; C360-L364 WeakPolarHBondContact O-CB 3.43Å; C360-L364 WeakPolarHBondContact O-CG 3.41Å; C360-L364 PolarHBondContact O-N 3.42Å; C360-L364 VanDerWaalsContact O-N 3.13Å
361	S	94.4	Very high	93.9	Very high	99 Å²	99	94 Å²	94	69%	0.692	49%	0.49	S	S	*	.	H	α-helix	trans	-57	-32	177.1	52.5	0	0	0	0	113.3	S365	S361-S365 VanDerWaalsContact O-CB 3.27Å; S361-S365 WeakPolarHBondContact O-CB 3.3Å; S361-S365 PolarHBondContact O-N 2.97Å; S361-S365 VanDerWaalsContact O-N 3.15Å; S361-S365 PolarHBondContact O-OG 3.3Å
362	I	93.6	Very high	93.8	Very high	61 Å²	61	94.6 Å²	94.6	31%	0.313	49%	0.494	S	S	.	.	H	α-helix	trans	-67.9	-47.2	-179.9	-55.5	173.7	0	0	0	111.4	L349 C351 C360 S365 R366	L349-I362 HydrophobicContact CB-CG2 4.22Å; C351-I362 HydrophobicContact CB-CB 4.14Å; C351-I362 HydrophobicContact CB-CD1 4.38Å; C351-I362 HydrophobicContact CB-CG2 4.15Å; C360-I362 PolarHBondContact O-N 3.22Å; I362-S365 PolarHBondContact O-OG 3Å; I362-R366 WeakPolarHBondContact O-CG 3.4Å
363	C	93	Very high	93.8	Very high	32 Å²	32	92.3 Å²	92.3	22%	0.216	47%	0.473	C	S	.	.	H	α-helix	trans	-75.5	-34.5	-179	61.3	0	0	0	0	112.5	C360 R366	C360-C363 PolarHBondContact N-SG 3.18Å; C360-C363 PolarHBondContact O-N 3.44Å; C360-C363 PolarHBondContact O-SG 3.27Å; C363-R366 PolarHBondContact O-N 2.86Å
364	L	93.9	Very high	93.6	Very high	125 Å²	125	93.2 Å²	93.2	65%	0.654	48%	0.482	S	S	*	.	H	α-helix	trans	-72.1	-24.2	179.3	-66.8	173.7	0	0	0	113.7	V359 C360	V359-L364 HydrophobicContact CB-CD1 4.26Å; V359-L364 HydrophobicContact CB-CD2 4.49Å; V359-L364 HydrophobicContact CB-CG 4.39Å; V359-L364 HydrophobicContact CG2-CD1 4.38Å; C360-L364 WeakPolarHBondContact O-CB 3.43Å; C360-L364 WeakPolarHBondContact O-CG 3.41Å; C360-L364 PolarHBondContact O-N 3.42Å; C360-L364 VanDerWaalsContact O-N 3.13Å
365	S	93.5	Very high	93.5	Very high	59 Å²	59	85.6 Å²	85.6	41%	0.413	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.5	177.4	66.7	0	0	0	0	114.4	C345 S361 I362	C345-S365 PolarHBondContact SG-OG 3.31Å; S361-S365 VanDerWaalsContact O-CB 3.27Å; S361-S365 WeakPolarHBondContact O-CB 3.3Å; S361-S365 PolarHBondContact O-N 2.97Å; S361-S365 VanDerWaalsContact O-N 3.15Å; S361-S365 PolarHBondContact O-OG 3.3Å; I362-S365 PolarHBondContact O-OG 3Å
366	R	91	Very high	93.5	Very high	114 Å²	114	84.5 Å²	84.5	43%	0.43	44%	0.443	S	S	.	.	S	Bend	trans	-66.8	143.2	178.3	-70.4	177.4	-178.3	143.2	5.1	111	L349 C351 I362 C363	L349-R366 PolarHBondContact O-NH2 3.39Å; C351-R366 PolarHBondContact SG-NH2 3.22Å; I362-R366 WeakPolarHBondContact O-CG 3.4Å; C363-R366 PolarHBondContact O-N 2.86Å
367	R	91.9	Very high	93.4	Very high	192 Å²	192	84.2 Å²	84.2	73%	0.725	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-57.6	138.6	168.9	65.5	-179.9	178.6	-179.1	-2.1	110.4
368	Q	90.9	Very high	93.4	Very high	176 Å²	176	77.7 Å²	77.7	82%	0.822	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-67	143.4	175.2	-63	-172.5	10.4	0	0	110.5	V370	Q368-V370 PolarHBondContact O-N 3.43Å
369	Q	91.6	Very high	93.5	Very high	95 Å²	95	71.5 Å²	71.5	44%	0.444	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-77.6	119.6	176.9	-177.1	168.7	12.6	0	0	110.6	K387	Q369-K387 PolarHBondContact NE2-O 3.2Å; Q369-K387 WeakPolarHBondContact O-CD 3.49Å
370	V	91.2	Very high	93.6	Very high	90 Å²	90	67.9 Å²	67.9	55%	0.545	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-82.3	131.9	169.8	-176.3	0	0	0	0	109.4	Q368	Q368-V370 PolarHBondContact O-N 3.43Å
371	A	92.9	Very high	93.7	Very high	18 Å²	18	66.1 Å²	66.1	15%	0.149	35%	0.345	C	S	.	.			trans	-151.5	151	173	0	0	0	0	0	109.5	R373 K387	A371-R373 PolarHBondContact O-N 3.43Å; A371-K387 HydrophobicContact CB-CB 3.9Å; A371-K387 WeakPolarHBondContact CB-O 3.41Å
372	P	93	Very high	93.9	Very high	30 Å²	30	61.5 Å²	61.5	20%	0.195	31%	0.313	C	S	.	.			trans	-56.1	128	174.7	-26.8	36.6	0	0	0	112.1	R176 Q391	R176-P372 VanDerWaalsContact NH1-CB 3.32Å; R176-P372 PolarHBondContact NH2-O 3.08Å; P372-Q391 PolarHBondContact O-NE2 3.41Å; P372-Q391 PolarHBondContact O-OE1 3.01Å
373	R	93.3	Very high	94.1	Very high	112 Å²	112	58.8 Å²	58.8	42%	0.423	30%	0.299	S	S	.	.			trans	-135.8	12.1	177.4	69.2	177	-65.2	-82.2	-1.1	114.6	A371 R380 V384 D420	A371-R373 PolarHBondContact O-N 3.43Å; R373-R380 PolarHBondContact O-NE 3.01Å; R373-R380 VanDerWaalsContact O-NE 3.12Å; R373-V384 HydrophobicContact CB-CG1 4.39Å; R373-D420 IonicContact CZ-OD1 2.63Å; R373-D420 IonicContact CZ-OD2 3.97Å; R373-D420 VanDerWaalsContact CZ-OD2 3.26Å; R373-D420 IonicContact NE-OD1 2.64Å; R373-D420 IonicContact NE-OD2 3.53Å; R373-D420 PolarHBondContact NE-OD2 3.41Å; R373-D420 IonicContact NH2-OD1 3.81Å; R373-D420 PolarHBondContact NH2-OD1 2.81Å; R373-D420 IonicContact NH2-OD2 2.95Å; R373-D420 PolarHBondContact NH2-OD2 2.94Å
374	A	92.1	Very high	94.4	Very high	38 Å²	38	57.4 Å²	57.4	31%	0.314	29%	0.289	S	S	.	.			trans	-54.9	141.5	167.6	0	0	0	0	0	110.4	R176 L199	R176-A374 PolarHBondContact NE-O 2.87Å; R176-A374 PolarHBondContact NH2-O 3.48Å; L199-A374 HydrophobicContact CD2-CB 4.01Å
375	G	93	Very high	94.6	Very high	12 Å²	12	51.6 Å²	51.6	12%	0.124	26%	0.259	C	S	.	.	S	Bend	trans	128	172.3	-170.2	0	0	0	0	0	111.8	R176 D177 R380	R176-G375 VanDerWaalsContact O-CA 3.26Å; R176-G375 WeakPolarHBondContact O-CA 3.2Å; D177-G375 WeakPolarHBondContact OD1-CA 3.24Å; G375-R380 PolarHBondContact O-NH2 3.41Å
376	T	93.5	Very high	94.8	Very high	37 Å²	37	49.8 Å²	49.8	23%	0.227	25%	0.245	C	C	.	.			trans	-91.1	140.7	-175.6	-61.1	0	0	0	0	112.7	D177 K179 F379	D177-T376 VanDerWaalsContact OD1-CB 3.26Å; D177-T376 WeakPolarHBondContact OD1-CB 3.39Å; D177-T376 PolarHBondContact OD1-N 2.57Å; D177-T376 PolarHBondContact OD1-OG1 2.84Å; D177-T376 PolarHBondContact OD2-OG1 3.46Å; K179-T376 HydrophobicContact CD-CG2 4.22Å; K179-T376 WeakPolarHBondContact CD-OG1 3.33Å; K179-T376 PolarHBondContact NZ-OG1 2.64Å; T376-F379 HydrophobicContact CG2-CD2 4.1Å; T376-F379 PolarHBondContact O-N 3.44Å
377	P	93.6	Very high	95	Very high	47 Å²	47	48.1 Å²	48.1	31%	0.305	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	142.9	172.1	-24.2	34.5	0	0	0	112.3	F379	P377-F379 VanDerWaalsContact C-N 3.29Å; P377-F379 PolarHBondContact O-N 3.35Å
378	G	96.4	Very high	95.2	Very high	8 Å²	8	39.3 Å²	39.3	8%	0.082	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-23.3	-176.7	0	0	0	0	0	115.3	Y415	G378-Y415 WeakPolarHBondContact O-CD2 3.45Å
379	F	98.3	Very high	95.3	Very high	12 Å²	12	32.8 Å²	32.8	5%	0.053	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-15.6	177.7	-65.6	-87.1	0	0	0	113.8	K179 T376 P377 A381 W398 S399 V402 I403 Y412	K179-F379 HydrophobicContact CB-CD1 4.05Å; K179-F379 HydrophobicContact CB-CD2 4.05Å; K179-F379 HydrophobicContact CB-CE1 3.96Å; K179-F379 HydrophobicContact CB-CE2 3.96Å; K179-F379 HydrophobicContact CB-CG 4.11Å; K179-F379 HydrophobicContact CB-CZ 3.92Å; T376-F379 HydrophobicContact CG2-CD2 4.1Å; T376-F379 PolarHBondContact O-N 3.44Å; P377-F379 VanDerWaalsContact C-N 3.29Å; P377-F379 PolarHBondContact O-N 3.35Å; F379-A381 PolarHBondContact O-N 3.18Å; F379-W398 VanDerWaalsContact O-CD1 3.31Å; F379-S399 PolarHBondContact O-OG 3.12Å; F379-S399 VanDerWaalsContact O-OG 3.08Å; F379-V402 HydrophobicContact CD1-CB 4.02Å; F379-V402 HydrophobicContact CD1-CG1 3.81Å; F379-V402 HydrophobicContact CE1-CB 4.28Å; F379-V402 HydrophobicContact CE1-CG1 3.77Å; F379-V402 HydrophobicContact CZ-CG1 4.47Å; F379-I403 HydrophobicContact CE1-CG1 3.99Å; F379-Y412 HydrophobicContact CZ-CE2 4.04Å
380	R	98.4	Very high	95.4	Very high	31 Å²	31	34.7 Å²	34.7	12%	0.117	20%	0.195	C	C	.	.			trans	-65.6	131.4	-178.6	-64.3	-175.9	-168	108.6	17.3	112.2	R373 G375 V384 L385 D420	R373-R380 PolarHBondContact O-NE 3.01Å; R373-R380 VanDerWaalsContact O-NE 3.12Å; G375-R380 PolarHBondContact O-NH2 3.41Å; R380-V384 HydrophobicContact CB-CB 4.19Å; R380-V384 HydrophobicContact CB-CG1 4.19Å; R380-V384 HydrophobicContact CG-CG1 4.2Å; R380-L385 HydrophobicContact CB-CD2 3.67Å; R380-L385 HydrophobicContact CB-CG 4.07Å; R380-L385 HydrophobicContact CG-CD2 4.48Å; R380-D420 IonicContact CZ-OD1 3.16Å; R380-D420 IonicContact NH1-OD1 2.75Å; R380-D420 PolarHBondContact NH1-OD1 3.29Å
381	A	98.6	Very high	95.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	18%	0.176	C	C	.	.			trans	-68.5	157.4	175.4	0	0	0	0	0	113.5	F379 E383 V384 L385 I395 W398	F379-A381 PolarHBondContact O-N 3.18Å; A381-E383 VanDerWaalsContact C-N 3.28Å; A381-E383 VanDerWaalsContact CB-CD 3.46Å; A381-E383 HydrophobicContact CB-CG 4.46Å; A381-E383 VanDerWaalsContact CB-OE1 3.27Å; A381-E383 WeakPolarHBondContact CB-OE1 3.33Å; A381-E383 WeakPolarHBondContact CB-OE2 3.35Å; A381-E383 PolarHBondContact O-N 3.46Å; A381-V384 HydrophobicContact CB-CG2 4.28Å; A381-V384 WeakPolarHBondContact O-CA 3.33Å; A381-V384 WeakPolarHBondContact O-CB 3.2Å; A381-V384 PolarHBondContact O-N 3.48Å; A381-L385 WeakPolarHBondContact O-CG 3.41Å; A381-L385 PolarHBondContact O-N 3.34Å; A381-L385 VanDerWaalsContact O-N 3.11Å; A381-I395 HydrophobicContact CB-CB 4.25Å; A381-I395 HydrophobicContact CB-CG2 4.27Å; A381-W398 VanDerWaalsContact CA-CD1 3.43Å; A381-W398 HydrophobicContact CB-CB 3.65Å; A381-W398 HydrophobicContact CB-CD2 4.09Å; A381-W398 HydrophobicContact CB-CG 3.51Å
382	P	98.5	Very high	95.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.013	19%	0.188	C	C	.	.	H	α-helix	trans	-53.4	-40	-177.8	-27.1	34.9	0	0	0	114	V384 L385 T386 W398 L424 I427 L552	P382-V384 VanDerWaalsContact C-N 3.29Å; P382-V384 PolarHBondContact O-N 3.42Å; P382-L385 PolarHBondContact O-N 3.03Å; P382-T386 WeakPolarHBondContact O-CB 3.24Å; P382-T386 VanDerWaalsContact O-CG2 3.3Å; P382-T386 WeakPolarHBondContact O-CG2 3.18Å; P382-T386 PolarHBondContact O-N 3.41Å; P382-T386 PolarHBondContact O-OG1 3.46Å; P382-W398 HydrophobicContact CG-CE3 4.31Å; P382-W398 HydrophobicContact CG-CH2 3.79Å; P382-W398 HydrophobicContact CG-CZ2 4.14Å; P382-W398 HydrophobicContact CG-CZ3 3.88Å; P382-L424 HydrophobicContact CB-CD1 4.25Å; P382-I427 HydrophobicContact CG-CG2 4.49Å; P382-L552 HydrophobicContact CG-CD2 3.99Å
383	E	98.4	Very high	96.2	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-65.3	-28.7	176.5	66	-83.8	-166.1	0	0	113	A381 T386 K387 C388 I395 F443 P554 R557	A381-E383 VanDerWaalsContact C-N 3.28Å; A381-E383 VanDerWaalsContact CB-CD 3.46Å; A381-E383 HydrophobicContact CB-CG 4.46Å; A381-E383 VanDerWaalsContact CB-OE1 3.27Å; A381-E383 WeakPolarHBondContact CB-OE1 3.33Å; A381-E383 WeakPolarHBondContact CB-OE2 3.35Å; A381-E383 PolarHBondContact O-N 3.46Å; E383-T386 WeakPolarHBondContact CA-OG1 3.41Å; E383-T386 PolarHBondContact O-OG1 2.9Å; E383-K387 PolarHBondContact O-N 2.86Å; E383-C388 HydrophobicContact CB-CB 3.85Å; E383-C388 WeakPolarHBondContact O-CA 3.18Å; E383-C388 WeakPolarHBondContact O-CB 3.13Å; E383-C388 PolarHBondContact O-N 2.85Å; E383-I395 HydrophobicContact CG-CG2 4.19Å; E383-I395 WeakPolarHBondContact OE1-CG2 3.24Å; E383-F443 HydrophobicContact CB-CD2 4.16Å; E383-F443 HydrophobicContact CB-CE1 4.37Å; E383-F443 HydrophobicContact CB-CE2 3.88Å; E383-F443 HydrophobicContact CB-CZ 3.95Å; E383-P554 HydrophobicContact CB-CG 4.25Å; E383-P554 HydrophobicContact CG-CB 4.25Å; E383-P554 HydrophobicContact CG-CG 4.12Å; E383-P554 WeakPolarHBondContact OE1-CB 3.19Å; E383-R557 IonicContact OE1-CZ 2.68Å; E383-R557 IonicContact OE1-NH1 2.86Å; E383-R557 PolarHBondContact OE1-NH1 3.12Å; E383-R557 IonicContact OE1-NH2 3.81Å; E383-R557 PolarHBondContact OE1-NH2 2.86Å; E383-R557 IonicContact OE2-CZ 2.68Å; E383-R557 IonicContact OE2-NH1 3.26Å; E383-R557 IonicContact OE2-NH2 2.86Å; E383-R557 PolarHBondContact OE2-NH2 2.8Å
384	V	98.1	Very high	96.4	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-74	-47.5	173.2	-174.2	0	0	0	0	110	R373 R380 A381 P382 T386 K387 I395	R373-V384 HydrophobicContact CB-CG1 4.39Å; R380-V384 HydrophobicContact CB-CB 4.19Å; R380-V384 HydrophobicContact CB-CG1 4.19Å; R380-V384 HydrophobicContact CG-CG1 4.2Å; A381-V384 HydrophobicContact CB-CG2 4.28Å; A381-V384 WeakPolarHBondContact O-CA 3.33Å; A381-V384 WeakPolarHBondContact O-CB 3.2Å; A381-V384 PolarHBondContact O-N 3.48Å; P382-V384 VanDerWaalsContact C-N 3.29Å; P382-V384 PolarHBondContact O-N 3.42Å; V384-T386 VanDerWaalsContact C-N 3.34Å; V384-T386 PolarHBondContact O-N 3.05Å; V384-K387 PolarHBondContact O-N 2.99Å; V384-I395 HydrophobicContact CG2-CB 4.17Å; V384-I395 HydrophobicContact CG2-CD1 4.33Å; V384-I395 HydrophobicContact CG2-CG2 3.68Å
385	L	98.1	Very high	96.7	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-40.1	-178.2	-61.7	175.9	0	0	0	112.2	R380 A381 P382 K387 D420 A423 L424 I427	R380-L385 HydrophobicContact CB-CD2 3.67Å; R380-L385 HydrophobicContact CB-CG 4.07Å; R380-L385 HydrophobicContact CG-CD2 4.48Å; A381-L385 WeakPolarHBondContact O-CG 3.41Å; A381-L385 PolarHBondContact O-N 3.34Å; A381-L385 VanDerWaalsContact O-N 3.11Å; P382-L385 PolarHBondContact O-N 3.03Å; L385-K387 PolarHBondContact O-N 2.81Å; L385-D420 HydrophobicContact CB-CB 4.47Å; L385-D420 HydrophobicContact CD2-CB 3.77Å; L385-A423 HydrophobicContact CD1-CB 3.93Å; L385-A423 HydrophobicContact CD2-CB 3.99Å; L385-L424 HydrophobicContact CB-CB 4.39Å; L385-L424 HydrophobicContact CD1-CB 4.07Å; L385-L424 HydrophobicContact CD1-CD1 4.43Å; L385-I427 HydrophobicContact CD1-CD1 3.57Å
386	T	97.3	Very high	97	Very high	20 Å²	20	27.2 Å²	27.2	12%	0.123	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	2.7	176.2	57.1	0	0	0	0	114	P382 E383 V384 L424 F443 K445 I447	P382-T386 WeakPolarHBondContact O-CB 3.24Å; P382-T386 VanDerWaalsContact O-CG2 3.3Å; P382-T386 WeakPolarHBondContact O-CG2 3.18Å; P382-T386 PolarHBondContact O-N 3.41Å; P382-T386 PolarHBondContact O-OG1 3.46Å; E383-T386 WeakPolarHBondContact CA-OG1 3.41Å; E383-T386 PolarHBondContact O-OG1 2.9Å; V384-T386 VanDerWaalsContact C-N 3.34Å; V384-T386 PolarHBondContact O-N 3.05Å; T386-L424 HydrophobicContact CG2-CD1 4.43Å; T386-L424 HydrophobicContact CG2-CD2 3.73Å; T386-F443 WeakPolarHBondContact OG1-CE2 3.38Å; T386-K445 WeakPolarHBondContact O-CD 3.36Å; T386-K445 WeakPolarHBondContact O-CE 3.28Å; T386-K445 PolarHBondContact O-NZ 3.48Å; T386-I447 HydrophobicContact CG2-CD1 3.92Å; T386-I447 HydrophobicContact CG2-CG1 4.31Å
387	K	96.6	Very high	97.3	Very high	79 Å²	79	25.5 Å²	25.5	34%	0.343	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	43.1	178.9	-47.6	-177.5	-170.7	-60.7	0	113.7	Q369 A371 E383 V384 L385 K445	Q369-K387 PolarHBondContact NE2-O 3.2Å; Q369-K387 WeakPolarHBondContact O-CD 3.49Å; A371-K387 HydrophobicContact CB-CB 3.9Å; A371-K387 WeakPolarHBondContact CB-O 3.41Å; E383-K387 PolarHBondContact O-N 2.86Å; V384-K387 PolarHBondContact O-N 2.99Å; L385-K387 PolarHBondContact O-N 2.81Å; K387-K445 VanDerWaalsContact C-NZ 3.25Å; K387-K445 PolarHBondContact O-NZ 2.96Å
388	C	95.8	Very high	97.5	Very high	8 Å²	8	23.3 Å²	23.3	5%	0.054	13%	0.127	C	C	.	.			trans	-63.6	127.4	166.6	-172.8	0	0	0	0	109.3	E383 N390 Q391 F443	E383-C388 HydrophobicContact CB-CB 3.85Å; E383-C388 WeakPolarHBondContact O-CA 3.18Å; E383-C388 WeakPolarHBondContact O-CB 3.13Å; E383-C388 PolarHBondContact O-N 2.85Å; C388-N390 PolarHBondContact SG-O 2.81Å; C388-N390 VanDerWaalsContact SG-O 3.38Å; C388-Q391 PolarHBondContact O-NE2 3.46Å; C388-F443 HydrophobicContact CB-CD2 4.33Å
389	P	93.2	Very high	97.6	Very high	39 Å²	39	23.1 Å²	23.1	25%	0.253	12%	0.124	S	C	.	.	S	Bend	trans	-80	-19.9	-179.8	30.3	-31.1	0	0	0	113
390	N	93.1	Very high	97.7	Very high	134 Å²	134	22.5 Å²	22.5	72%	0.717	12%	0.122	S	C	*	.			trans	-103.5	91.7	-179.7	-65.6	84.5	0	0	0	108.5	C388	C388-N390 PolarHBondContact SG-O 2.81Å; C388-N390 VanDerWaalsContact SG-O 3.38Å
391	Q	96.2	Very high	97.7	Very high	32 Å²	32	21 Å²	21	15%	0.15	12%	0.116	C	C	.	.			trans	-108.2	146.2	179.6	-66.1	168.4	21.4	0	0	109.5	R176 P372 C388 I395	R176-Q391 VanDerWaalsContact CZ-OE1 3.24Å; P372-Q391 PolarHBondContact O-NE2 3.41Å; P372-Q391 PolarHBondContact O-OE1 3.01Å; C388-Q391 PolarHBondContact O-NE2 3.46Å; Q391-I395 HydrophobicContact CB-CG2 4.24Å
392	T	98.1	Very high	97.7	Very high	66 Å²	66	21.1 Å²	21.1	41%	0.405	12%	0.117	S	C	.	.			trans	-124.5	-178.6	-177	64.3	0	0	0	0	110.4	A394 I395	T392-A394 PolarHBondContact O-N 2.88Å; T392-A394 VanDerWaalsContact O-N 3.08Å; T392-A394 WeakPolarHBondContact OG1-CB 3.26Å; T392-A394 PolarHBondContact OG1-N 2.94Å; T392-I395 PolarHBondContact O-N 3.45Å
393	T	98.6	Very high	97.7	Very high	33 Å²	33	21 Å²	21	20%	0.202	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-18.9	169.8	47.5	0	0	0	0	113.7	H169 V174 T203 I395 D396 M397	H169-T393 HydrophobicContact CB-CG2 4.02Å; H169-T393 WeakPolarHBondContact CD2-CG2 3.43Å; V174-T393 HydrophobicContact CG2-CG2 4.02Å; T203-T393 HydrophobicContact CG2-CG2 3.95Å; T393-I395 PolarHBondContact O-N 3.01Å; T393-I395 VanDerWaalsContact O-N 3.13Å; T393-D396 WeakPolarHBondContact O-CB 3.28Å; T393-D396 PolarHBondContact O-N 3.22Å; T393-M397 PolarHBondContact O-N 3.46Å
394	A	98.8	Very high	97.8	Very high	7 Å²	7	20.9 Å²	20.9	6%	0.058	12%	0.115	C	C	.	.	H	α-helix	trans	-58.4	-23.7	175.1	0	0	0	0	0	113.6	T392 D396 M397 W398 P554 R557	T392-A394 PolarHBondContact O-N 2.88Å; T392-A394 VanDerWaalsContact O-N 3.08Å; T392-A394 WeakPolarHBondContact OG1-CB 3.26Å; T392-A394 PolarHBondContact OG1-N 2.94Å; A394-D396 VanDerWaalsContact C-N 3.28Å; A394-D396 PolarHBondContact O-N 3.48Å; A394-M397 PolarHBondContact O-N 3.14Å; A394-W398 PolarHBondContact O-N 3.41Å; A394-P554 HydrophobicContact CB-CB 4.08Å; A394-P554 WeakPolarHBondContact CB-O 3.34Å; A394-R557 VanDerWaalsContact C-NH1 3.34Å; A394-R557 WeakPolarHBondContact O-CD 3.26Å; A394-R557 PolarHBondContact O-NH1 3.26Å
395	I	98.8	Very high	97.8	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-68	-30.3	175.6	75.5	179	0	0	0	111.9	V174 R176 A381 E383 V384 Q391 T392 T393 S399	V174-I395 HydrophobicContact CG1-CD1 3.56Å; V174-I395 HydrophobicContact CG1-CG1 3.58Å; R176-I395 HydrophobicContact CB-CD1 4.41Å; R176-I395 HydrophobicContact CG-CD1 4.15Å; A381-I395 HydrophobicContact CB-CB 4.25Å; A381-I395 HydrophobicContact CB-CG2 4.27Å; E383-I395 HydrophobicContact CG-CG2 4.19Å; E383-I395 WeakPolarHBondContact OE1-CG2 3.24Å; V384-I395 HydrophobicContact CG2-CB 4.17Å; V384-I395 HydrophobicContact CG2-CD1 4.33Å; V384-I395 HydrophobicContact CG2-CG2 3.68Å; Q391-I395 HydrophobicContact CB-CG2 4.24Å; T392-I395 PolarHBondContact O-N 3.45Å; T393-I395 PolarHBondContact O-N 3.01Å; T393-I395 VanDerWaalsContact O-N 3.13Å; I395-S399 PolarHBondContact O-N 3.34Å; I395-S399 VanDerWaalsContact O-N 3.15Å; I395-S399 PolarHBondContact O-OG 3.42Å
396	D	98.9	Very high	97.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-73.7	-36.4	175.6	-59.5	-29.1	0	0	0	110.3	L165 H169 V174 H175 R176 V178 T393 A394 S399 A400	L165-D396 HydrophobicContact CD2-CB 4.22Å; H169-D396 IonicContact CD2-OD2 2.66Å; H169-D396 IonicContact CE1-OD2 3.54Å; H169-D396 IonicContact NE2-OD2 3.83Å; H169-D396 PolarHBondContact NE2-OD2 3.45Å; V174-D396 WeakPolarHBondContact CA-OD2 3.47Å; H175-D396 PolarHBondContact N-OD1 3.45Å; H175-D396 PolarHBondContact N-OD2 3Å; R176-D396 PolarHBondContact N-OD1 3.16Å; V178-D396 HydrophobicContact CG2-CB 3.89Å; T393-D396 WeakPolarHBondContact O-CB 3.28Å; T393-D396 PolarHBondContact O-N 3.22Å; A394-D396 VanDerWaalsContact C-N 3.28Å; A394-D396 PolarHBondContact O-N 3.48Å; D396-S399 WeakPolarHBondContact O-CB 3.43Å; D396-S399 PolarHBondContact O-N 2.87Å; D396-A400 PolarHBondContact O-N 3.25Å
397	M	98.9	Very high	97.9	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-66	-40.6	175.7	-60.2	-52.5	-57.6	0	0	112.3	F162 L165 T393 A394 S399 A400 G401 L549 R557 I558 A560 A563	F162-M397 HydrophobicContact CD1-CE 3.73Å; F162-M397 HydrophobicContact CE1-CE 3.55Å; L165-M397 HydrophobicContact CB-SD 4.48Å; L165-M397 HydrophobicContact CD1-SD 4.02Å; T393-M397 PolarHBondContact O-N 3.46Å; A394-M397 PolarHBondContact O-N 3.14Å; M397-S399 VanDerWaalsContact C-N 3.32Å; M397-S399 PolarHBondContact O-N 3.31Å; M397-A400 PolarHBondContact O-N 2.95Å; M397-G401 PolarHBondContact O-N 3.4Å; M397-L549 HydrophobicContact CE-CD2 3.66Å; M397-R557 HydrophobicContact CB-CG 4.47Å; M397-I558 WeakPolarHBondContact CB-O 3.36Å; M397-I558 WeakPolarHBondContact CE-O 3.34Å; M397-I558 WeakPolarHBondContact CG-O 3.38Å; M397-A560 HydrophobicContact CE-CB 4.16Å; M397-A560 HydrophobicContact SD-CB 3.7Å; M397-A560 PolarHBondContact SD-N 3.17Å; M397-A560 VanDerWaalsContact SD-N 3.43Å; M397-A563 HydrophobicContact CE-CB 4.17Å
398	W	98.9	Very high	97.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.7	-45.7	169.5	175.3	-83.6	0	0	0	111.4	F379 A381 P382 A394 A400 G401 V402 I427 L550 L552	F379-W398 VanDerWaalsContact O-CD1 3.31Å; A381-W398 VanDerWaalsContact CA-CD1 3.43Å; A381-W398 HydrophobicContact CB-CB 3.65Å; A381-W398 HydrophobicContact CB-CD2 4.09Å; A381-W398 HydrophobicContact CB-CG 3.51Å; P382-W398 HydrophobicContact CG-CE3 4.31Å; P382-W398 HydrophobicContact CG-CH2 3.79Å; P382-W398 HydrophobicContact CG-CZ2 4.14Å; P382-W398 HydrophobicContact CG-CZ3 3.88Å; A394-W398 PolarHBondContact O-N 3.41Å; W398-A400 VanDerWaalsContact C-N 3.31Å; W398-A400 PolarHBondContact O-N 2.93Å; W398-G401 CarbonylContact O-C 3.55Å; W398-G401 VanDerWaalsContact O-CA 3.32Å; W398-G401 WeakPolarHBondContact O-CA 3.04Å; W398-G401 PolarHBondContact O-N 2.69Å; W398-V402 PolarHBondContact O-N 2.91Å; W398-I427 HydrophobicContact CH2-CD1 4.42Å; W398-I427 HydrophobicContact CH2-CG2 3.66Å; W398-I427 HydrophobicContact CZ2-CD1 3.63Å; W398-I427 HydrophobicContact CZ2-CG1 3.89Å; W398-I427 HydrophobicContact CZ2-CG2 3.9Å; W398-L550 HydrophobicContact CD2-CD2 4.18Å; W398-L550 HydrophobicContact CE3-CD2 4.22Å; W398-L550 HydrophobicContact CH2-CD2 4.24Å; W398-L550 HydrophobicContact CZ2-CD2 4.18Å; W398-L550 HydrophobicContact CZ3-CB 4.24Å; W398-L550 HydrophobicContact CZ3-CD2 4.26Å; W398-L552 HydrophobicContact CH2-CD2 3.95Å; W398-L552 HydrophobicContact CZ3-CD2 4.06Å
399	S	98.9	Very high	98	Very high	4 Å²	4	15.5 Å²	15.5	3%	0.028	9%	0.089	C	C	.	.	H	α-helix	trans	-62.1	-39.5	180	-56.6	0	0	0	0	111.6	V178 F379 I395 D396 M397 G401 V402 I403	V178-S399 WeakPolarHBondContact O-CB 3.44Å; F379-S399 PolarHBondContact O-OG 3.12Å; F379-S399 VanDerWaalsContact O-OG 3.08Å; I395-S399 PolarHBondContact O-N 3.34Å; I395-S399 VanDerWaalsContact O-N 3.15Å; I395-S399 PolarHBondContact O-OG 3.42Å; D396-S399 WeakPolarHBondContact O-CB 3.43Å; D396-S399 PolarHBondContact O-N 2.87Å; M397-S399 VanDerWaalsContact C-N 3.32Å; M397-S399 PolarHBondContact O-N 3.31Å; S399-G401 VanDerWaalsContact C-N 3.34Å; S399-V402 PolarHBondContact O-N 3.25Å; S399-I403 WeakPolarHBondContact O-CG1 3.26Å; S399-I403 PolarHBondContact O-N 3.26Å
400	A	98.9	Very high	98.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.9	-38.4	170.1	0	0	0	0	0	112.2	M158 L161 F162 L165 D396 M397 W398 V402 I403 F404	M158-A400 HydrophobicContact CE-CB 4.46Å; L161-A400 HydrophobicContact CD2-CB 3.81Å; F162-A400 HydrophobicContact CE1-CB 3.83Å; F162-A400 HydrophobicContact CZ-CB 4.47Å; L165-A400 HydrophobicContact CD1-CB 3.89Å; D396-A400 PolarHBondContact O-N 3.25Å; M397-A400 PolarHBondContact O-N 2.95Å; W398-A400 VanDerWaalsContact C-N 3.31Å; W398-A400 PolarHBondContact O-N 2.93Å; A400-V402 VanDerWaalsContact C-N 3.33Å; A400-V402 PolarHBondContact O-N 3.06Å; A400-I403 WeakPolarHBondContact O-CB 3.42Å; A400-I403 PolarHBondContact O-N 3.18Å; A400-F404 PolarHBondContact O-N 3.4Å
401	G	98.9	Very high	98.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.1	-38.1	169.6	0	0	0	0	0	113.7	M397 W398 S399 F404 L405 L546	M397-G401 PolarHBondContact O-N 3.4Å; W398-G401 CarbonylContact O-C 3.55Å; W398-G401 VanDerWaalsContact O-CA 3.32Å; W398-G401 WeakPolarHBondContact O-CA 3.04Å; W398-G401 PolarHBondContact O-N 2.69Å; S399-G401 VanDerWaalsContact C-N 3.34Å; G401-F404 PolarHBondContact O-N 3.12Å; G401-L405 VanDerWaalsContact O-CB 3.3Å; G401-L405 WeakPolarHBondContact O-CB 3.44Å; G401-L405 PolarHBondContact O-N 3.47Å; G401-L546 WeakPolarHBondContact O-CD1 3.45Å
402	V	98.9	Very high	98.4	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-68.8	-36.4	174.3	178.4	0	0	0	0	111.9	F379 W398 S399 A400 S406 Y415 L550	F379-V402 HydrophobicContact CD1-CB 4.02Å; F379-V402 HydrophobicContact CD1-CG1 3.81Å; F379-V402 HydrophobicContact CE1-CB 4.28Å; F379-V402 HydrophobicContact CE1-CG1 3.77Å; F379-V402 HydrophobicContact CZ-CG1 4.47Å; W398-V402 PolarHBondContact O-N 2.91Å; S399-V402 PolarHBondContact O-N 3.25Å; A400-V402 VanDerWaalsContact C-N 3.33Å; A400-V402 PolarHBondContact O-N 3.06Å; V402-S406 PolarHBondContact O-N 3.04Å; V402-S406 PolarHBondContact O-OG 3.35Å; V402-Y415 HydrophobicContact CG1-CD2 4.1Å; V402-Y415 HydrophobicContact CG1-CE2 4.49Å; V402-Y415 HydrophobicContact CG2-CD2 4.34Å; V402-Y415 HydrophobicContact CG2-CE2 4.17Å; V402-L550 HydrophobicContact CG2-CD2 4.28Å
403	I	98.9	Very high	98.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.6	-46.5	171.6	-62.1	172.1	0	0	0	109.9	F142 Y157 L161 V178 P180 F379 S399 A400 L405 S406 L407	F142-I403 HydrophobicContact CE2-CG2 4.28Å; F142-I403 HydrophobicContact CZ-CG2 4.32Å; Y157-I403 HydrophobicContact CE1-CG2 3.78Å; L161-I403 HydrophobicContact CD2-CD1 4Å; V178-I403 HydrophobicContact CG1-CD1 3.92Å; P180-I403 HydrophobicContact CG-CD1 4.46Å; P180-I403 HydrophobicContact CG-CG1 4.08Å; P180-I403 HydrophobicContact CG-CG2 4.29Å; F379-I403 HydrophobicContact CE1-CG1 3.99Å; S399-I403 WeakPolarHBondContact O-CG1 3.26Å; S399-I403 PolarHBondContact O-N 3.26Å; A400-I403 WeakPolarHBondContact O-CB 3.42Å; A400-I403 PolarHBondContact O-N 3.18Å; I403-L405 PolarHBondContact O-N 3.02Å; I403-S406 WeakPolarHBondContact O-CB 3.35Å; I403-S406 PolarHBondContact O-N 3.4Å; I403-S406 VanDerWaalsContact O-N 3.15Å; I403-L407 HydrophobicContact CG2-CD1 4.07Å; I403-L407 HydrophobicContact CG2-CG 4.38Å; I403-L407 WeakPolarHBondContact O-CG 3.4Å; I403-L407 PolarHBondContact O-N 3.42Å
404	F	98.9	Very high	98.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.3	-38.8	179.5	-166.1	-154.7	0	0	0	112.3	V154 M158 A400 G401 S406 L407 L408 A542 L545 L546 L549 F568	V154-F404 HydrophobicContact CG1-CD2 4.09Å; V154-F404 HydrophobicContact CG1-CE2 3.77Å; M158-F404 HydrophobicContact CE-CB 3.75Å; M158-F404 HydrophobicContact CE-CG 4.13Å; M158-F404 HydrophobicContact CG-CB 4.43Å; M158-F404 HydrophobicContact CG-CD2 3.65Å; M158-F404 HydrophobicContact CG-CE2 4.07Å; M158-F404 HydrophobicContact CG-CG 4.08Å; M158-F404 HydrophobicContact SD-CB 3.76Å; M158-F404 HydrophobicContact SD-CD2 4.07Å; M158-F404 HydrophobicContact SD-CG 4.07Å; A400-F404 PolarHBondContact O-N 3.4Å; G401-F404 PolarHBondContact O-N 3.12Å; F404-S406 VanDerWaalsContact C-N 3.31Å; F404-S406 PolarHBondContact O-N 3.24Å; F404-L407 CarbonylContact O-C 3.52Å; F404-L407 PolarHBondContact O-N 3.46Å; F404-L408 HydrophobicContact CD1-CD1 4.18Å; F404-L408 HydrophobicContact CD2-CD1 3.84Å; F404-L408 HydrophobicContact CD2-CG 3.84Å; F404-L408 HydrophobicContact CE1-CD1 3.95Å; F404-L408 HydrophobicContact CE2-CD1 3.57Å; F404-L408 HydrophobicContact CE2-CD2 3.92Å; F404-L408 HydrophobicContact CE2-CG 3.63Å; F404-L408 HydrophobicContact CG-CD1 4.13Å; F404-L408 HydrophobicContact CZ-CD1 3.64Å; F404-L408 HydrophobicContact CZ-CD2 4.39Å; F404-L408 HydrophobicContact CZ-CG 4.19Å; F404-L408 WeakPolarHBondContact O-CB 3.49Å; F404-L408 WeakPolarHBondContact O-CG 3.44Å; F404-L408 PolarHBondContact O-N 2.86Å; F404-A542 WeakPolarHBondContact CE1-O 3.3Å; F404-A542 HydrophobicContact CZ-CB 4.23Å; F404-L545 HydrophobicContact CE1-CB 4.21Å; F404-L545 HydrophobicContact CE1-CD2 4.1Å; F404-L545 HydrophobicContact CE1-CG 4.15Å; F404-L546 HydrophobicContact CB-CD1 3.98Å; F404-L546 HydrophobicContact CD1-CB 3.94Å; F404-L546 HydrophobicContact CD1-CD1 3.8Å; F404-L546 HydrophobicContact CD1-CG 4.47Å; F404-L546 HydrophobicContact CE1-CB 4.05Å; F404-L546 HydrophobicContact CG-CD1 4.13Å; F404-L549 HydrophobicContact CD1-CD1 3.9Å; F404-F568 HydrophobicContact CE1-CE1 4.44Å; F404-F568 HydrophobicContact CE2-CE1 4.2Å; F404-F568 AromaticContact CE2-CZ 3.92Å; F404-F568 HydrophobicContact CE2-CZ 3.92Å; F404-F568 HydrophobicContact CZ-CD1 4.45Å; F404-F568 AromaticContact CZ-CE1 3.69Å; F404-F568 HydrophobicContact CZ-CE1 3.69Å; F404-F568 HydrophobicContact CZ-CE2 4.17Å; F404-F568 AromaticContact CZ-CZ 3.51Å; F404-F568 HydrophobicContact CZ-CZ 3.51Å
405	L	98.8	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59	-41.9	171.7	-178.4	60.6	0	0	0	111.7	G401 I403 S409 F414 Y415 L546 L550	G401-L405 VanDerWaalsContact O-CB 3.3Å; G401-L405 WeakPolarHBondContact O-CB 3.44Å; G401-L405 PolarHBondContact O-N 3.47Å; I403-L405 PolarHBondContact O-N 3.02Å; L405-S409 VanDerWaalsContact O-CB 3.26Å; L405-S409 WeakPolarHBondContact O-CB 3.47Å; L405-S409 PolarHBondContact O-N 3.42Å; L405-S409 PolarHBondContact O-OG 3.09Å; L405-F414 HydrophobicContact CD1-CD2 4.39Å; L405-F414 HydrophobicContact CD1-CE2 3.91Å; L405-F414 HydrophobicContact CD1-CZ 4.11Å; L405-F414 HydrophobicContact CD2-CD1 3.58Å; L405-F414 HydrophobicContact CD2-CD2 3.99Å; L405-F414 HydrophobicContact CD2-CE1 3.56Å; L405-F414 HydrophobicContact CD2-CE2 3.95Å; L405-F414 HydrophobicContact CD2-CG 3.82Å; L405-F414 HydrophobicContact CD2-CZ 3.74Å; L405-F414 HydrophobicContact CG-CD1 4.22Å; L405-F414 HydrophobicContact CG-CD2 3.68Å; L405-F414 HydrophobicContact CG-CE1 4.24Å; L405-F414 HydrophobicContact CG-CE2 3.67Å; L405-F414 HydrophobicContact CG-CG 3.97Å; L405-F414 HydrophobicContact CG-CZ 3.97Å; L405-Y415 HydrophobicContact CD2-CE2 4.09Å; L405-L546 HydrophobicContact CB-CD1 4.06Å; L405-L546 HydrophobicContact CD1-CD2 4.09Å; L405-L550 HydrophobicContact CB-CD1 4.37Å; L405-L550 HydrophobicContact CD2-CD1 4.07Å
406	S	98.6	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-47.4	173.5	-56.6	0	0	0	0	111	V402 I403 F404 L408 S409 G410 R411	V402-S406 PolarHBondContact O-N 3.04Å; V402-S406 PolarHBondContact O-OG 3.35Å; I403-S406 WeakPolarHBondContact O-CB 3.35Å; I403-S406 PolarHBondContact O-N 3.4Å; I403-S406 VanDerWaalsContact O-N 3.15Å; F404-S406 VanDerWaalsContact C-N 3.31Å; F404-S406 PolarHBondContact O-N 3.24Å; S406-L408 VanDerWaalsContact C-N 3.32Å; S406-L408 PolarHBondContact O-N 2.65Å; S406-S409 PolarHBondContact O-N 3.33Å; S406-G410 PolarHBondContact O-N 2.98Å; S406-R411 WeakPolarHBondContact CA-O 3.39Å; S406-R411 WeakPolarHBondContact CB-O 3.32Å; S406-R411 PolarHBondContact O-N 2.82Å; S406-R411 PolarHBondContact OG-O 3.3Å
407	L	98.4	Very high	97.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-62.2	-32.1	178.1	-76.2	174.3	0	0	0	113.3	F142 L146 L149 V154 Y157 M158 I403 F404 R466 W535	F142-L407 HydrophobicContact CE2-CD2 3.54Å; F142-L407 HydrophobicContact CE2-CG 3.96Å; F142-L407 HydrophobicContact CZ-CD2 3.68Å; F142-L407 HydrophobicContact CZ-CG 3.87Å; L146-L407 HydrophobicContact CD1-CD2 4.05Å; L149-L407 HydrophobicContact CD1-CD2 3.89Å; V154-L407 HydrophobicContact CG1-CB 3.99Å; V154-L407 HydrophobicContact CG1-CD1 4.2Å; V154-L407 HydrophobicContact CG2-CB 4.39Å; V154-L407 HydrophobicContact CG2-CD2 4.37Å; Y157-L407 HydrophobicContact CD1-CD1 3.63Å; Y157-L407 HydrophobicContact CE1-CD1 4.03Å; Y157-L407 HydrophobicContact CG-CD1 4.18Å; M158-L407 HydrophobicContact CG-CD1 4.22Å; M158-L407 HydrophobicContact SD-CD1 3.84Å; I403-L407 HydrophobicContact CG2-CD1 4.07Å; I403-L407 HydrophobicContact CG2-CG 4.38Å; I403-L407 WeakPolarHBondContact O-CG 3.4Å; I403-L407 PolarHBondContact O-N 3.42Å; F404-L407 CarbonylContact O-C 3.52Å; F404-L407 PolarHBondContact O-N 3.46Å; L407-R466 PolarHBondContact O-NH2 3.32Å; L407-W535 WeakPolarHBondContact O-CH2 3.49Å
408	L	98.1	Very high	97.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-85.5	-39.6	178.2	-72.9	171.2	0	0	0	112.4	F151 F404 S406 C462 R466 W535 V538 Y543 L546	F151-L408 HydrophobicContact CE2-CD2 3.84Å; F404-L408 HydrophobicContact CD1-CD1 4.18Å; F404-L408 HydrophobicContact CD2-CD1 3.84Å; F404-L408 HydrophobicContact CD2-CG 3.84Å; F404-L408 HydrophobicContact CE1-CD1 3.95Å; F404-L408 HydrophobicContact CE2-CD1 3.57Å; F404-L408 HydrophobicContact CE2-CD2 3.92Å; F404-L408 HydrophobicContact CE2-CG 3.63Å; F404-L408 HydrophobicContact CG-CD1 4.13Å; F404-L408 HydrophobicContact CZ-CD1 3.64Å; F404-L408 HydrophobicContact CZ-CD2 4.39Å; F404-L408 HydrophobicContact CZ-CG 4.19Å; F404-L408 WeakPolarHBondContact O-CB 3.49Å; F404-L408 WeakPolarHBondContact O-CG 3.44Å; F404-L408 PolarHBondContact O-N 2.86Å; S406-L408 VanDerWaalsContact C-N 3.32Å; S406-L408 PolarHBondContact O-N 2.65Å; L408-C462 HydrophobicContact CB-CB 4.17Å; L408-R466 PolarHBondContact O-NE 2.87Å; L408-R466 PolarHBondContact O-NH2 3.04Å; L408-R466 VanDerWaalsContact O-NH2 3.12Å; L408-W535 HydrophobicContact CD2-CH2 4.36Å; L408-W535 HydrophobicContact CD2-CZ3 4.1Å; L408-V538 HydrophobicContact CD2-CG1 4.43Å; L408-Y543 HydrophobicContact CD1-CD1 4.32Å; L408-Y543 HydrophobicContact CD1-CE1 4.12Å; L408-L546 HydrophobicContact CD1-CB 4.35Å; L408-L546 HydrophobicContact CD1-CD2 3.87Å
409	S	97.6	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-83.4	-13	-179.2	64.8	0	0	0	0	115.5	L405 S406 R411 F414 L465 R466	L405-S409 VanDerWaalsContact O-CB 3.26Å; L405-S409 WeakPolarHBondContact O-CB 3.47Å; L405-S409 PolarHBondContact O-N 3.42Å; L405-S409 PolarHBondContact O-OG 3.09Å; S406-S409 PolarHBondContact O-N 3.33Å; S409-R411 PolarHBondContact O-N 3.37Å; S409-R411 PolarHBondContact OG-N 3.49Å; S409-F414 WeakPolarHBondContact OG-CD2 3.28Å; S409-L465 CarbonylContact O-C 3.54Å; S409-L465 VanDerWaalsContact O-C 3.29Å; S409-R466 WeakPolarHBondContact O-CA 3.3Å; S409-R466 PolarHBondContact O-N 3.14Å; S409-R466 VanDerWaalsContact O-N 3.17Å
410	G	96.8	Very high	97	Very high	9 Å²	9	31.8 Å²	31.8	9%	0.093	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	16.9	-173.8	0	0	0	0	0	113.6	S406	S406-G410 PolarHBondContact O-N 2.98Å
411	R	96.9	Very high	96.8	Very high	117 Å²	117	37.6 Å²	37.6	44%	0.442	19%	0.193	S	C	.	.			trans	-115.5	121	-175.7	-54.4	-53.1	-177.2	92.7	-2.7	111.7	S406 S409 F414 L465	S406-R411 WeakPolarHBondContact CA-O 3.39Å; S406-R411 WeakPolarHBondContact CB-O 3.32Å; S406-R411 PolarHBondContact O-N 2.82Å; S406-R411 PolarHBondContact OG-O 3.3Å; S409-R411 PolarHBondContact O-N 3.37Å; S409-R411 PolarHBondContact OG-N 3.49Å; R411-F414 HydrophobicContact CB-CD2 4.14Å; R411-L465 HydrophobicContact CG-CB 4.09Å; R411-L465 HydrophobicContact CG-CD1 4.44Å; R411-L465 PolarHBondContact NE-O 2.67Å; R411-L465 PolarHBondContact NH2-O 3.01Å
412	Y	96.3	Very high	96.8	Very high	70 Å²	70	40.1 Å²	40.1	28%	0.275	21%	0.208	S	C	.	.	S	Bend	trans	-141.2	134.4	175.4	-178.9	-101.3	0	0	0	112.2	F142 L143 P180 F379	F142-Y412 AromaticContact CD1-CD1 3.98Å; F142-Y412 HydrophobicContact CD1-CD1 3.98Å; F142-Y412 AromaticContact CD1-CD2 3.73Å; F142-Y412 HydrophobicContact CD1-CD2 3.73Å; F142-Y412 HydrophobicContact CD1-CE1 4.23Å; F142-Y412 AromaticContact CD1-CE2 3.99Å; F142-Y412 HydrophobicContact CD1-CE2 3.99Å; F142-Y412 AromaticContact CD1-CG 3.71Å; F142-Y412 HydrophobicContact CD1-CG 3.71Å; F142-Y412 HydrophobicContact CE1-CD1 4.44Å; F142-Y412 AromaticContact CE1-CD2 3.5Å; F142-Y412 HydrophobicContact CE1-CD2 3.5Å; F142-Y412 HydrophobicContact CE1-CE2 4.06Å; F142-Y412 AromaticContact CE1-CG 3.72Å; F142-Y412 HydrophobicContact CE1-CG 3.72Å; L143-Y412 HydrophobicContact CB-CD1 4.39Å; L143-Y412 HydrophobicContact CD1-CD1 4.37Å; P180-Y412 HydrophobicContact CB-CE2 4.35Å; P180-Y412 HydrophobicContact CG-CD2 4.33Å; P180-Y412 HydrophobicContact CG-CE2 3.61Å; F379-Y412 HydrophobicContact CZ-CE2 4.04Å
413	P	96.4	Very high	96.7	Very high	71 Å²	71	40.3 Å²	40.3	46%	0.461	21%	0.21	S	C	.	.	S	Bend	cis	-64.6	138.7	-15.6	29.7	-35	0	0	0	110.5
414	F	97.7	Very high	96.7	Very high	38 Å²	38	40.7 Å²	40.7	17%	0.167	21%	0.212	C	C	.	.	S	Bend	trans	-66.6	-54.6	179.8	-171.6	-81.3	0	0	0	111.8	L405 S409 R411 I430 L461 L465	L405-F414 HydrophobicContact CD1-CD2 4.39Å; L405-F414 HydrophobicContact CD1-CE2 3.91Å; L405-F414 HydrophobicContact CD1-CZ 4.11Å; L405-F414 HydrophobicContact CD2-CD1 3.58Å; L405-F414 HydrophobicContact CD2-CD2 3.99Å; L405-F414 HydrophobicContact CD2-CE1 3.56Å; L405-F414 HydrophobicContact CD2-CE2 3.95Å; L405-F414 HydrophobicContact CD2-CG 3.82Å; L405-F414 HydrophobicContact CD2-CZ 3.74Å; L405-F414 HydrophobicContact CG-CD1 4.22Å; L405-F414 HydrophobicContact CG-CD2 3.68Å; L405-F414 HydrophobicContact CG-CE1 4.24Å; L405-F414 HydrophobicContact CG-CE2 3.67Å; L405-F414 HydrophobicContact CG-CG 3.97Å; L405-F414 HydrophobicContact CG-CZ 3.97Å; S409-F414 WeakPolarHBondContact OG-CD2 3.28Å; R411-F414 HydrophobicContact CB-CD2 4.14Å; F414-I430 HydrophobicContact CE1-CD1 4.41Å; F414-I430 HydrophobicContact CE1-CG1 4.11Å; F414-I430 HydrophobicContact CZ-CD1 4.39Å; F414-I430 HydrophobicContact CZ-CG1 4.45Å; F414-L461 HydrophobicContact CZ-CD2 4.42Å; F414-L465 HydrophobicContact CE2-CD1 3.68Å; F414-L465 HydrophobicContact CZ-CD1 4.06Å
415	Y	97.1	Very high	96.6	Very high	11 Å²	11	42.8 Å²	42.8	4%	0.043	23%	0.229	C	C	.	.			trans	-91.7	128.8	175.1	-65.4	-63.1	0	0	0	110.3	G378 V402 L405 Q426 I427 I430	G378-Y415 WeakPolarHBondContact O-CD2 3.45Å; V402-Y415 HydrophobicContact CG1-CD2 4.1Å; V402-Y415 HydrophobicContact CG1-CE2 4.49Å; V402-Y415 HydrophobicContact CG2-CD2 4.34Å; V402-Y415 HydrophobicContact CG2-CE2 4.17Å; L405-Y415 HydrophobicContact CD2-CE2 4.09Å; Y415-Q426 HydrophobicContact CD1-CB 3.66Å; Y415-Q426 HydrophobicContact CE1-CB 3.99Å; Y415-I427 HydrophobicContact CE1-CG1 4.2Å; Y415-I427 HydrophobicContact CE2-CG1 4.32Å; Y415-I430 HydrophobicContact CE1-CG1 4.17Å
416	K	94.4	Very high	96.6	Very high	152 Å²	152	45.3 Å²	45.3	66%	0.661	24%	0.241	S	C	*	.			trans	-128.6	90	179.9	-170.9	175.3	-178	177	0	109.4	Q426	K416-Q426 PolarHBondContact O-NE2 3.38Å
417	A	92.3	Very high	96.6	Very high	9 Å²	9	45.4 Å²	45.4	7%	0.074	24%	0.242	C	C	.	.			trans	-125.2	140.7	-175.2	0	0	0	0	0	111.7	T422 A423	A417-T422 HydrophobicContact CB-CG2 3.85Å; A417-A423 HydrophobicContact CB-CB 3.71Å
418	S	92.1	Very high	96.6	Very high	105 Å²	105	46.3 Å²	46.3	73%	0.734	25%	0.246	S	C	*	.	S	Bend	trans	-75.3	-26.8	175	38.9	0	0	0	0	113.7
419	D	95.1	Very high	96.6	Very high	66 Å²	66	49.4 Å²	49.4	35%	0.353	27%	0.265	S	S	.	.	S	Bend	trans	-151.2	168.2	-168.2	66	90.1	0	0	0	111.2	L421 T422 A423	D419-L421 PolarHBondContact O-N 2.92Å; D419-L421 PolarHBondContact OD1-N 3.48Å; D419-T422 PolarHBondContact OD1-N 3.4Å; D419-T422 PolarHBondContact OD1-OG1 2.91Å; D419-T422 VanDerWaalsContact OD2-CB 3.22Å; D419-T422 WeakPolarHBondContact OD2-CB 3.17Å; D419-T422 PolarHBondContact OD2-OG1 2.87Å; D419-A423 PolarHBondContact O-N 3.4Å; D419-A423 VanDerWaalsContact O-N 3.09Å
420	D	95.8	Very high	96.7	Very high	15 Å²	15	50.2 Å²	50.2	8%	0.08	27%	0.269	C	S	.	.	H	α-helix	trans	-69.6	-28.3	-171.7	-62.3	-26.3	0	0	0	113.3	R373 R380 L385 L424	R373-D420 IonicContact CZ-OD1 2.63Å; R373-D420 IonicContact CZ-OD2 3.97Å; R373-D420 VanDerWaalsContact CZ-OD2 3.26Å; R373-D420 IonicContact NE-OD1 2.64Å; R373-D420 IonicContact NE-OD2 3.53Å; R373-D420 PolarHBondContact NE-OD2 3.41Å; R373-D420 IonicContact NH2-OD1 3.81Å; R373-D420 PolarHBondContact NH2-OD1 2.81Å; R373-D420 IonicContact NH2-OD2 2.95Å; R373-D420 PolarHBondContact NH2-OD2 2.94Å; R380-D420 IonicContact CZ-OD1 3.16Å; R380-D420 IonicContact NH1-OD1 2.75Å; R380-D420 PolarHBondContact NH1-OD1 3.29Å; L385-D420 HydrophobicContact CB-CB 4.47Å; L385-D420 HydrophobicContact CD2-CB 3.77Å; D420-L424 PolarHBondContact O-N 3.04Å; D420-L424 VanDerWaalsContact O-N 3.12Å
421	L	95.5	Very high	96.7	Very high	123 Å²	123	50.8 Å²	50.8	64%	0.644	27%	0.269	S	S	*	.	H	α-helix	trans	-83.8	-35.9	-179.8	-67.3	-178.9	0	0	0	111.7	D419 A423 L424 A425	D419-L421 PolarHBondContact O-N 2.92Å; D419-L421 PolarHBondContact OD1-N 3.48Å; L421-A423 VanDerWaalsContact C-N 3.28Å; L421-A423 PolarHBondContact O-N 3.05Å; L421-L424 HydrophobicContact CD2-CD2 4.36Å; L421-L424 PolarHBondContact O-N 3.04Å; L421-A425 WeakPolarHBondContact O-CB 3.44Å; L421-A425 PolarHBondContact O-N 3.45Å
422	T	97.6	Very high	96.8	Very high	53 Å²	53	45.2 Å²	45.2	33%	0.325	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-39.6	168.3	-62.4	0	0	0	0	111	A417 D419 A425 Q426	A417-T422 HydrophobicContact CB-CG2 3.85Å; D419-T422 PolarHBondContact OD1-N 3.4Å; D419-T422 PolarHBondContact OD1-OG1 2.91Å; D419-T422 VanDerWaalsContact OD2-CB 3.22Å; D419-T422 WeakPolarHBondContact OD2-CB 3.17Å; D419-T422 PolarHBondContact OD2-OG1 2.87Å; T422-A425 PolarHBondContact O-N 2.81Å; T422-Q426 WeakPolarHBondContact O-CG 3.45Å; T422-Q426 PolarHBondContact O-N 2.64Å
423	A	97.8	Very high	96.9	Very high	5 Å²	5	42 Å²	42	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-45.2	174	0	0	0	0	0	111.8	L385 A417 D419 L421 A425 Q426 I427	L385-A423 HydrophobicContact CD1-CB 3.93Å; L385-A423 HydrophobicContact CD2-CB 3.99Å; A417-A423 HydrophobicContact CB-CB 3.71Å; D419-A423 PolarHBondContact O-N 3.4Å; D419-A423 VanDerWaalsContact O-N 3.09Å; L421-A423 VanDerWaalsContact C-N 3.28Å; L421-A423 PolarHBondContact O-N 3.05Å; A423-A425 VanDerWaalsContact C-N 3.34Å; A423-A425 PolarHBondContact O-N 2.78Å; A423-Q426 PolarHBondContact O-N 3.29Å; A423-I427 WeakPolarHBondContact O-CG1 3.41Å; A423-I427 PolarHBondContact O-N 2.79Å
424	L	98.3	Very high	97	Very high	8 Å²	8	46 Å²	46	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-39.8	177.1	-174.9	63.8	0	0	0	111.9	P382 L385 T386 D420 L421 I427 M428 T436 I447	P382-L424 HydrophobicContact CB-CD1 4.25Å; L385-L424 HydrophobicContact CB-CB 4.39Å; L385-L424 HydrophobicContact CD1-CB 4.07Å; L385-L424 HydrophobicContact CD1-CD1 4.43Å; T386-L424 HydrophobicContact CG2-CD1 4.43Å; T386-L424 HydrophobicContact CG2-CD2 3.73Å; D420-L424 PolarHBondContact O-N 3.04Å; D420-L424 VanDerWaalsContact O-N 3.12Å; L421-L424 HydrophobicContact CD2-CD2 4.36Å; L421-L424 PolarHBondContact O-N 3.04Å; L424-I427 PolarHBondContact O-N 2.99Å; L424-M428 HydrophobicContact CG-CE 4.23Å; L424-M428 WeakPolarHBondContact O-CG 3.42Å; L424-M428 PolarHBondContact O-N 3.49Å; L424-T436 HydrophobicContact CD1-CG2 4.09Å; L424-I447 HydrophobicContact CD2-CD1 4.1Å
425	A	98.1	Very high	97	Very high	45 Å²	45	46.9 Å²	46.9	37%	0.372	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-44.4	174.3	0	0	0	0	0	111.8	L421 T422 A423 I427 M428 T429	L421-A425 WeakPolarHBondContact O-CB 3.44Å; L421-A425 PolarHBondContact O-N 3.45Å; T422-A425 PolarHBondContact O-N 2.81Å; A423-A425 VanDerWaalsContact C-N 3.34Å; A423-A425 PolarHBondContact O-N 2.78Å; A425-I427 PolarHBondContact O-N 3.46Å; A425-M428 HydrophobicContact CB-CE 4.46Å; A425-M428 PolarHBondContact O-N 3.37Å; A425-T429 WeakPolarHBondContact O-CG2 3.47Å; A425-T429 PolarHBondContact O-N 3.31Å
426	Q	98.3	Very high	97.1	Very high	52 Å²	52	46.4 Å²	46.4	24%	0.243	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-42.6	175.3	-68.7	174.6	4.4	0	0	111.7	Y415 K416 T422 A423 M428 T429 I430	Y415-Q426 HydrophobicContact CD1-CB 3.66Å; Y415-Q426 HydrophobicContact CE1-CB 3.99Å; K416-Q426 PolarHBondContact O-NE2 3.38Å; T422-Q426 WeakPolarHBondContact O-CG 3.45Å; T422-Q426 PolarHBondContact O-N 2.64Å; A423-Q426 PolarHBondContact O-N 3.29Å; Q426-M428 VanDerWaalsContact C-N 3.33Å; Q426-M428 PolarHBondContact O-N 3.01Å; Q426-T429 PolarHBondContact O-N 3.22Å; Q426-T429 VanDerWaalsContact O-N 3.12Å; Q426-T429 PolarHBondContact O-OG1 3.45Å; Q426-I430 PolarHBondContact O-N 3.45Å
427	I	98.6	Very high	97.3	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	23%	0.227	C	C	.	.	H	α-helix	trans	-58.1	-45.4	173.9	-66.8	165.3	0	0	0	111	P382 L385 W398 Y415 A423 L424 A425 T429 I430 R431 L552	P382-I427 HydrophobicContact CG-CG2 4.49Å; L385-I427 HydrophobicContact CD1-CD1 3.57Å; W398-I427 HydrophobicContact CH2-CD1 4.42Å; W398-I427 HydrophobicContact CH2-CG2 3.66Å; W398-I427 HydrophobicContact CZ2-CD1 3.63Å; W398-I427 HydrophobicContact CZ2-CG1 3.89Å; W398-I427 HydrophobicContact CZ2-CG2 3.9Å; Y415-I427 HydrophobicContact CE1-CG1 4.2Å; Y415-I427 HydrophobicContact CE2-CG1 4.32Å; A423-I427 WeakPolarHBondContact O-CG1 3.41Å; A423-I427 PolarHBondContact O-N 2.79Å; L424-I427 PolarHBondContact O-N 2.99Å; A425-I427 PolarHBondContact O-N 3.46Å; I427-T429 VanDerWaalsContact C-N 3.26Å; I427-T429 PolarHBondContact O-N 3.34Å; I427-I430 PolarHBondContact O-N 3.11Å; I427-R431 HydrophobicContact CG2-CG 4.34Å; I427-R431 PolarHBondContact O-N 3.2Å; I427-L552 HydrophobicContact CG2-CD2 3.89Å
428	M	98.5	Very high	97.6	Very high	19 Å²	19	47.2 Å²	47.2	9%	0.094	25%	0.25	C	C	.	.	H	α-helix	trans	-63.2	-27	177.4	-70.9	-174	-64	0	0	113.6	L424 A425 Q426 I430 G432 T436 I447 C449	L424-M428 HydrophobicContact CG-CE 4.23Å; L424-M428 WeakPolarHBondContact O-CG 3.42Å; L424-M428 PolarHBondContact O-N 3.49Å; A425-M428 HydrophobicContact CB-CE 4.46Å; A425-M428 PolarHBondContact O-N 3.37Å; Q426-M428 VanDerWaalsContact C-N 3.33Å; Q426-M428 PolarHBondContact O-N 3.01Å; M428-I430 VanDerWaalsContact C-N 3.26Å; M428-I430 PolarHBondContact O-N 3.46Å; M428-G432 CarbonylContact O-C 3.29Å; M428-G432 VanDerWaalsContact O-CA 3.29Å; M428-G432 WeakPolarHBondContact O-CA 3.48Å; M428-G432 PolarHBondContact O-N 3.47Å; M428-G432 VanDerWaalsContact O-N 3.1Å; M428-T436 HydrophobicContact CG-CG2 3.7Å; M428-T436 HydrophobicContact SD-CG2 4.04Å; M428-I447 HydrophobicContact SD-CG2 4.2Å; M428-C449 VanDerWaalsContact CE-SG 3.51Å; M428-C449 PolarHBondContact SD-SG 3.43Å
429	T	98.3	Very high	97.9	Very high	67 Å²	67	42.7 Å²	42.7	41%	0.411	22%	0.219	S	C	.	.	H	α-helix	trans	-71.4	-19.5	172.9	65	0	0	0	0	114.3	A425 Q426 I427 Q456	A425-T429 WeakPolarHBondContact O-CG2 3.47Å; A425-T429 PolarHBondContact O-N 3.31Å; Q426-T429 PolarHBondContact O-N 3.22Å; Q426-T429 VanDerWaalsContact O-N 3.12Å; Q426-T429 PolarHBondContact O-OG1 3.45Å; I427-T429 VanDerWaalsContact C-N 3.26Å; I427-T429 PolarHBondContact O-N 3.34Å; T429-Q456 WeakPolarHBondContact O-CG 2.93Å
430	I	98.2	Very high	98	Very high	16 Å²	16	39.6 Å²	39.6	8%	0.082	20%	0.202	C	C	.	.	H	α-helix	trans	-101	-49.8	179.5	-57.6	-47.5	0	0	0	111.2	F414 Y415 Q426 I427 M428 Q456 L458 L461	F414-I430 HydrophobicContact CE1-CD1 4.41Å; F414-I430 HydrophobicContact CE1-CG1 4.11Å; F414-I430 HydrophobicContact CZ-CD1 4.39Å; F414-I430 HydrophobicContact CZ-CG1 4.45Å; Y415-I430 HydrophobicContact CE1-CG1 4.17Å; Q426-I430 PolarHBondContact O-N 3.45Å; I427-I430 PolarHBondContact O-N 3.11Å; M428-I430 VanDerWaalsContact C-N 3.26Å; M428-I430 PolarHBondContact O-N 3.46Å; I430-Q456 WeakPolarHBondContact O-CB 3.44Å; I430-Q456 PolarHBondContact O-N 2.97Å; I430-L458 HydrophobicContact CG2-CD2 4.14Å; I430-L461 HydrophobicContact CD1-CD1 4.33Å; I430-L461 HydrophobicContact CD1-CD2 3.84Å; I430-L461 HydrophobicContact CG1-CD2 4.44Å; I430-L461 HydrophobicContact CG2-CD2 3.59Å
431	R	98.4	Very high	98.1	Very high	22 Å²	22	45.8 Å²	45.8	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-98	0.2	-172	-55.8	-63.7	-72.1	146.3	-5.7	114	I427 E435 D547 L550 L552	I427-R431 HydrophobicContact CG2-CG 4.34Å; I427-R431 PolarHBondContact O-N 3.2Å; R431-E435 WeakPolarHBondContact O-CB 3.47Å; R431-D547 IonicContact CZ-OD1 3.5Å; R431-D547 IonicContact NH1-OD1 3.39Å; R431-D547 PolarHBondContact NH1-OD1 3.1Å; R431-D547 PolarHBondContact NH2-O 2.83Å; R431-D547 IonicContact NH2-OD1 3.66Å; R431-D547 PolarHBondContact NH2-OD1 3.17Å; R431-D547 IonicContact NH2-OD2 3.13Å; R431-L550 PolarHBondContact NE-O 2.69Å; R431-L550 PolarHBondContact NH2-O 3.24Å; R431-L550 VanDerWaalsContact NH2-O 3.14Å; R431-L552 HydrophobicContact CB-CD1 3.91Å; R431-L552 HydrophobicContact CB-CD2 3.89Å; R431-L552 HydrophobicContact CB-CG 4.18Å; R431-L552 HydrophobicContact CG-CD2 4.29Å
432	G	98.3	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.			trans	87.9	138.1	178.5	0	0	0	0	0	113.1	M428 E435 T436	M428-G432 CarbonylContact O-C 3.29Å; M428-G432 VanDerWaalsContact O-CA 3.29Å; M428-G432 WeakPolarHBondContact O-CA 3.48Å; M428-G432 PolarHBondContact O-N 3.47Å; M428-G432 VanDerWaalsContact O-N 3.1Å; G432-E435 WeakPolarHBondContact CA-OE2 3.38Å; G432-T436 WeakPolarHBondContact O-CB 3.22Å; G432-T436 PolarHBondContact O-N 2.72Å; G432-T436 VanDerWaalsContact O-N 3.15Å; G432-T436 PolarHBondContact O-OG1 3.31Å
433	S	98.4	Very high	98.1	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-72.2	-43.2	-179.1	57.8	0	0	0	0	112.4	T436 I437 V453	S433-T436 PolarHBondContact O-N 2.91Å; S433-I437 WeakPolarHBondContact O-CD1 3.37Å; S433-I437 WeakPolarHBondContact O-CG1 3.29Å; S433-I437 PolarHBondContact O-N 2.91Å; S433-V453 PolarHBondContact N-O 2.85Å; S433-V453 PolarHBondContact OG-N 3.2Å; S433-V453 PolarHBondContact OG-O 3.25Å
434	R	98.3	Very high	98	Very high	156 Å²	156	46.1 Å²	46.1	59%	0.589	25%	0.246	S	C	*	.	H	α-helix	trans	-64	-43.5	179.7	-177.5	-173.3	67.9	168.9	0.4	111.3	I437 Q438	R434-I437 PolarHBondContact O-N 3.14Å; R434-Q438 WeakPolarHBondContact O-CB 3.15Å; R434-Q438 PolarHBondContact O-N 2.97Å
435	E	98.5	Very high	98	Very high	55 Å²	55	47 Å²	47	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-44.1	176.6	-65.1	62.2	-137.9	0	0	110.2	R431 G432 Q438 A439 L552	R431-E435 WeakPolarHBondContact O-CB 3.47Å; G432-E435 WeakPolarHBondContact CA-OE2 3.38Å; E435-Q438 PolarHBondContact O-N 3.22Å; E435-A439 WeakPolarHBondContact O-CB 2.99Å; E435-A439 PolarHBondContact O-N 3.24Å; E435-L552 HydrophobicContact CB-CD1 3.76Å
436	T	98.6	Very high	97.9	Very high	1 Å²	1	48 Å²	48	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-66.5	-40.8	176.7	-57.1	0	0	0	0	112.3	L424 M428 G432 S433 A440 I447	L424-T436 HydrophobicContact CD1-CG2 4.09Å; M428-T436 HydrophobicContact CG-CG2 3.7Å; M428-T436 HydrophobicContact SD-CG2 4.04Å; G432-T436 WeakPolarHBondContact O-CB 3.22Å; G432-T436 PolarHBondContact O-N 2.72Å; G432-T436 VanDerWaalsContact O-N 3.15Å; G432-T436 PolarHBondContact O-OG1 3.31Å; S433-T436 PolarHBondContact O-N 2.91Å; T436-A440 WeakPolarHBondContact O-CB 3.45Å; T436-A440 PolarHBondContact O-N 2.75Å; T436-I447 HydrophobicContact CG2-CD1 3.95Å
437	I	98.4	Very high	97.9	Very high	58 Å²	58	46.7 Å²	46.7	30%	0.297	25%	0.248	S	C	.	.	H	α-helix	trans	-63.4	-44.2	175.3	-68.5	159.8	0	0	0	110.6	S433 R434 A440 K441 I447	S433-I437 WeakPolarHBondContact O-CD1 3.37Å; S433-I437 WeakPolarHBondContact O-CG1 3.29Å; S433-I437 PolarHBondContact O-N 2.91Å; R434-I437 PolarHBondContact O-N 3.14Å; I437-A440 PolarHBondContact O-N 2.94Å; I437-K441 PolarHBondContact O-N 3.19Å; I437-K441 VanDerWaalsContact O-N 3.14Å; I437-I447 HydrophobicContact CG1-CB 3.86Å; I437-I447 HydrophobicContact CG1-CG2 3.87Å
438	Q	98.3	Very high	97.8	Very high	121 Å²	121	51.2 Å²	51.2	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-65.9	-43.5	-179.7	179.8	57.5	27.4	0	0	112	R434 E435 K441	R434-Q438 WeakPolarHBondContact O-CB 3.15Å; R434-Q438 PolarHBondContact O-N 2.97Å; E435-Q438 PolarHBondContact O-N 3.22Å; Q438-K441 WeakPolarHBondContact O-CB 3.44Å; Q438-K441 PolarHBondContact O-N 3.43Å
439	A	98.4	Very high	97.6	Very high	9 Å²	9	52 Å²	52	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-44.2	173.8	0	0	0	0	0	112	E435 K441 T442 F443 L552 N553	E435-A439 WeakPolarHBondContact O-CB 2.99Å; E435-A439 PolarHBondContact O-N 3.24Å; A439-K441 PolarHBondContact O-N 3.36Å; A439-K441 VanDerWaalsContact O-N 3.16Å; A439-T442 PolarHBondContact O-N 2.91Å; A439-T442 PolarHBondContact O-OG1 3.35Å; A439-F443 VanDerWaalsContact O-CD1 3.3Å; A439-F443 WeakPolarHBondContact O-CD1 3.39Å; A439-F443 WeakPolarHBondContact O-CE1 3.22Å; A439-L552 HydrophobicContact CB-CB 3.51Å; A439-N553 HydrophobicContact CB-CB 4.18Å
440	A	98.3	Very high	97.5	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-57.8	-32.9	178.5	0	0	0	0	0	113.4	T436 I437 T442 F443 G444 K445 I447	T436-A440 WeakPolarHBondContact O-CB 3.45Å; T436-A440 PolarHBondContact O-N 2.75Å; I437-A440 PolarHBondContact O-N 2.94Å; A440-T442 VanDerWaalsContact C-N 3.3Å; A440-T442 PolarHBondContact O-N 3.38Å; A440-F443 VanDerWaalsContact CA-CZ 3.49Å; A440-F443 HydrophobicContact CB-CE2 4.24Å; A440-F443 HydrophobicContact CB-CZ 4.05Å; A440-F443 CarbonylContact O-C 3.52Å; A440-F443 PolarHBondContact O-N 2.71Å; A440-G444 PolarHBondContact O-N 3.3Å; A440-K445 CarbonylContact C-O 3.17Å; A440-K445 HydrophobicContact CB-CB 4.06Å; A440-K445 WeakPolarHBondContact O-CA 3.37Å; A440-K445 WeakPolarHBondContact O-CB 3.38Å; A440-K445 PolarHBondContact O-N 2.8Å; A440-I447 HydrophobicContact CB-CD1 3.38Å; A440-I447 HydrophobicContact CB-CG1 3.86Å
441	K	97.8	Very high	97.3	Very high	146 Å²	146	62.4 Å²	62.4	64%	0.635	34%	0.335	S	S	*	.	H	α-helix	trans	-62.5	-32.8	175.9	-166.3	176.5	178.5	-178.2	0	112.8	I437 Q438 A439 F443 G444 K445	I437-K441 PolarHBondContact O-N 3.19Å; I437-K441 VanDerWaalsContact O-N 3.14Å; Q438-K441 WeakPolarHBondContact O-CB 3.44Å; Q438-K441 PolarHBondContact O-N 3.43Å; A439-K441 PolarHBondContact O-N 3.36Å; A439-K441 VanDerWaalsContact O-N 3.16Å; K441-F443 VanDerWaalsContact C-N 3.34Å; K441-F443 PolarHBondContact O-N 3.15Å; K441-G444 PolarHBondContact O-N 2.83Å; K441-K445 PolarHBondContact N-O 3.13Å
442	T	97.9	Very high	97.3	Very high	85 Å²	85	67.4 Å²	67.4	52%	0.521	36%	0.359	S	S	.	.	H	α-helix	trans	-67.9	-34.5	-179.1	74.1	0	0	0	0	112.1	A439 A440 N553	A439-T442 PolarHBondContact O-N 2.91Å; A439-T442 PolarHBondContact O-OG1 3.35Å; A440-T442 VanDerWaalsContact C-N 3.3Å; A440-T442 PolarHBondContact O-N 3.38Å; T442-N553 PolarHBondContact OG1-OD1 2.89Å; T442-N553 VanDerWaalsContact OG1-OD1 3.06Å
443	F	95.3	Very high	97.2	Very high	34 Å²	34	69.4 Å²	69.4	15%	0.149	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	25.6	174.7	56.8	-98.9	0	0	0	113.6	E383 T386 C388 A439 A440 K441 K445 P554	E383-F443 HydrophobicContact CB-CD2 4.16Å; E383-F443 HydrophobicContact CB-CE1 4.37Å; E383-F443 HydrophobicContact CB-CE2 3.88Å; E383-F443 HydrophobicContact CB-CZ 3.95Å; T386-F443 WeakPolarHBondContact OG1-CE2 3.38Å; C388-F443 HydrophobicContact CB-CD2 4.33Å; A439-F443 VanDerWaalsContact O-CD1 3.3Å; A439-F443 WeakPolarHBondContact O-CD1 3.39Å; A439-F443 WeakPolarHBondContact O-CE1 3.22Å; A440-F443 VanDerWaalsContact CA-CZ 3.49Å; A440-F443 HydrophobicContact CB-CE2 4.24Å; A440-F443 HydrophobicContact CB-CZ 4.05Å; A440-F443 CarbonylContact O-C 3.52Å; A440-F443 PolarHBondContact O-N 2.71Å; K441-F443 VanDerWaalsContact C-N 3.34Å; K441-F443 PolarHBondContact O-N 3.15Å; F443-K445 HydrophobicContact CD2-CB 4.27Å; F443-K445 HydrophobicContact CD2-CG 3.72Å; F443-K445 HydrophobicContact CE2-CB 4.17Å; F443-K445 HydrophobicContact CE2-CG 3.83Å; F443-P554 HydrophobicContact CD1-CG 3.97Å; F443-P554 HydrophobicContact CE1-CG 4.32Å
444	G	95.7	Very high	97.2	Very high	68 Å²	68	73.5 Å²	73.5	70%	0.701	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	30.5	166.9	0	0	0	0	0	115.2	A440 K441	A440-G444 PolarHBondContact O-N 3.3Å; K441-G444 PolarHBondContact O-N 2.83Å
445	K	96.9	Very high	97.2	Very high	28 Å²	28	68.4 Å²	68.4	12%	0.122	39%	0.39	C	S	.	.			trans	-121.4	126.5	179.4	-61.3	-66.3	178	159.7	0	111.5	T386 K387 A440 K441 F443	T386-K445 WeakPolarHBondContact O-CD 3.36Å; T386-K445 WeakPolarHBondContact O-CE 3.28Å; T386-K445 PolarHBondContact O-NZ 3.48Å; K387-K445 VanDerWaalsContact C-NZ 3.25Å; K387-K445 PolarHBondContact O-NZ 2.96Å; A440-K445 CarbonylContact C-O 3.17Å; A440-K445 HydrophobicContact CB-CB 4.06Å; A440-K445 WeakPolarHBondContact O-CA 3.37Å; A440-K445 WeakPolarHBondContact O-CB 3.38Å; A440-K445 PolarHBondContact O-N 2.8Å; K441-K445 PolarHBondContact N-O 3.13Å; F443-K445 HydrophobicContact CD2-CB 4.27Å; F443-K445 HydrophobicContact CD2-CG 3.72Å; F443-K445 HydrophobicContact CE2-CB 4.17Å; F443-K445 HydrophobicContact CE2-CG 3.83Å
446	S	96.9	Very high	97.2	Very high	66 Å²	66	70 Å²	70	46%	0.462	40%	0.397	S	S	.	.			trans	-92.1	116.3	168.9	-171.4	0	0	0	0	108.8
447	I	97.6	Very high	97.1	Very high	23 Å²	23	73.4 Å²	73.4	12%	0.118	42%	0.415	C	S	.	.			trans	-104	142.4	169.8	-61.9	171.9	0	0	0	107.6	T386 L424 M428 T436 I437 A440	T386-I447 HydrophobicContact CG2-CD1 3.92Å; T386-I447 HydrophobicContact CG2-CG1 4.31Å; L424-I447 HydrophobicContact CD2-CD1 4.1Å; M428-I447 HydrophobicContact SD-CG2 4.2Å; T436-I447 HydrophobicContact CG2-CD1 3.95Å; I437-I447 HydrophobicContact CG1-CB 3.86Å; I437-I447 HydrophobicContact CG1-CG2 3.87Å; A440-I447 HydrophobicContact CB-CD1 3.38Å; A440-I447 HydrophobicContact CB-CG1 3.86Å
448	L	96.5	Very high	97.1	Very high	98 Å²	98	71.2 Å²	71.2	51%	0.513	40%	0.404	S	S	.	.			trans	-130.7	132.5	170.3	-179.6	66.6	0	0	0	108.7	T356	T356-L448 VanDerWaalsContact O-CD2 3.3Å; T356-L448 WeakPolarHBondContact O-CD2 3.36Å
449	C	95.3	Very high	97.1	Very high	36 Å²	36	68.4 Å²	68.4	24%	0.243	39%	0.388	C	S	.	.			trans	-116.8	134.3	174.7	-65.6	0	0	0	0	108.8	M428 K451	M428-C449 VanDerWaalsContact CE-SG 3.51Å; M428-C449 PolarHBondContact SD-SG 3.43Å; C449-K451 PolarHBondContact O-N 3.04Å
450	S	94.9	Very high	97	Very high	139 Å²	139	74.3 Å²	74.3	97%	0.972	41%	0.412	S	S	*	.	S	Bend	trans	-69.5	-16.6	177.7	53	0	0	0	0	113.6
451	K	95.1	Very high	96.9	Very high	162 Å²	162	75.6 Å²	75.6	70%	0.704	42%	0.419	S	S	*	.	S	Bend	trans	-139	133	174.9	179.7	174.4	179.1	179.9	0	109.2	C449	C449-K451 PolarHBondContact O-N 3.04Å
452	E	97.1	Very high	96.9	Very high	127 Å²	127	68.6 Å²	68.6	59%	0.593	39%	0.388	S	S	*	.			trans	-71.8	132.4	169.1	-170.4	170.8	-177.5	0	0	110
453	V	97.6	Very high	96.8	Very high	42 Å²	42	66.5 Å²	66.5	26%	0.255	37%	0.373	S	S	.	.			trans	-120.4	125	172.7	-172.8	0	0	0	0	107.5	S433	S433-V453 PolarHBondContact N-O 2.85Å; S433-V453 PolarHBondContact OG-N 3.2Å; S433-V453 PolarHBondContact OG-O 3.25Å
454	P	98.1	Very high	96.8	Very high	88 Å²	88	73.5 Å²	73.5	57%	0.571	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-74.3	157.4	179.3	31.5	-35.8	0	0	0	111.6
455	A	97.8	Very high	96.8	Very high	50 Å²	50	72.3 Å²	72.3	41%	0.413	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-64.3	146	170.5	0	0	0	0	0	111.6
456	Q	97.9	Very high	96.6	Very high	89 Å²	89	73 Å²	73	42%	0.416	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-91.6	144.9	172.7	-58.3	-63.2	-31.6	0	0	110.2	T429 I430 L458 L461	T429-Q456 WeakPolarHBondContact O-CG 2.93Å; I430-Q456 WeakPolarHBondContact O-CB 3.44Å; I430-Q456 PolarHBondContact O-N 2.97Å; Q456-L458 PolarHBondContact O-N 3.29Å; Q456-L461 HydrophobicContact CB-CD2 4.37Å
457	D	98.2	Very high	96.2	Very high	72 Å²	72	73 Å²	73	39%	0.385	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-66.8	117.1	164.4	178.5	-59.4	0	0	0	108.9	R459 K460 L461	D457-R459 VanDerWaalsContact C-N 3.32Å; D457-R459 PolarHBondContact O-N 3.23Å; D457-R459 WeakPolarHBondContact OD1-CB 3.37Å; D457-R459 PolarHBondContact OD1-N 3.28Å; D457-R459 VanDerWaalsContact OD1-N 3.12Å; D457-K460 HydrophobicContact CB-CB 4.22Å; D457-K460 HydrophobicContact CB-CD 4.01Å; D457-K460 HydrophobicContact CB-CG 4.35Å; D457-K460 WeakPolarHBondContact OD1-CG 3.32Å; D457-K460 PolarHBondContact OD1-N 3.2Å; D457-K460 IonicContact OD2-NZ 2.81Å; D457-K460 PolarHBondContact OD2-NZ 3.02Å; D457-L461 VanDerWaalsContact O-CB 3.24Å; D457-L461 WeakPolarHBondContact O-CB 3.44Å; D457-L461 PolarHBondContact O-N 3.29Å
458	L	97.8	Very high	94.9	Very high	12 Å²	12	74.8 Å²	74.8	6%	0.063	40%	0.396	C	S	.	.	H	α-helix	trans	-65.3	-33.8	-173.4	-70.1	178.1	0	0	0	112.8	I430 Q456 C462 Y543 L546 D547	I430-L458 HydrophobicContact CG2-CD2 4.14Å; Q456-L458 PolarHBondContact O-N 3.29Å; L458-C462 WeakPolarHBondContact O-CB 3.45Å; L458-C462 PolarHBondContact O-N 3.15Å; L458-C462 PolarHBondContact O-SG 3.1Å; L458-C462 VanDerWaalsContact O-SG 3.34Å; L458-Y543 HydrophobicContact CB-CD1 4.33Å; L458-L546 HydrophobicContact CB-CD2 4.25Å; L458-L546 HydrophobicContact CD1-CB 4.4Å; L458-L546 HydrophobicContact CD1-CD2 4Å; L458-L546 HydrophobicContact CD1-CG 4.02Å; L458-L546 HydrophobicContact CD2-CD2 4.37Å; L458-L546 HydrophobicContact CG-CD2 4.45Å; L458-D547 HydrophobicContact CD1-CB 3.97Å
459	R	97.3	Very high	93.3	Very high	61 Å²	61	72.9 Å²	72.9	23%	0.23	39%	0.386	C	S	.	.	H	α-helix	trans	-62.9	-59.8	177.1	174.7	-178.6	-78.6	-77.9	6.8	110	D457 L461 C462 E463 V538 D540 Y543	D457-R459 VanDerWaalsContact C-N 3.32Å; D457-R459 PolarHBondContact O-N 3.23Å; D457-R459 WeakPolarHBondContact OD1-CB 3.37Å; D457-R459 PolarHBondContact OD1-N 3.28Å; D457-R459 VanDerWaalsContact OD1-N 3.12Å; R459-L461 VanDerWaalsContact C-N 3.25Å; R459-L461 PolarHBondContact O-N 3.15Å; R459-C462 PolarHBondContact O-N 3.45Å; R459-C462 VanDerWaalsContact O-N 3.12Å; R459-E463 VanDerWaalsContact CG-CD 3.41Å; R459-E463 HydrophobicContact CG-CG 4.45Å; R459-E463 WeakPolarHBondContact CG-OE1 3.44Å; R459-E463 WeakPolarHBondContact CG-OE2 3.44Å; R459-E463 IonicContact CZ-OE1 3.71Å; R459-E463 IonicContact NH1-OE1 2.77Å; R459-E463 PolarHBondContact NH1-OE1 2.97Å; R459-E463 WeakPolarHBondContact O-CB 3.42Å; R459-E463 WeakPolarHBondContact O-CG 3.47Å; R459-E463 PolarHBondContact O-N 3.41Å; R459-V538 VanDerWaalsContact CZ-O 3.3Å; R459-V538 PolarHBondContact NH1-O 3.27Å; R459-V538 PolarHBondContact NH2-O 3.1Å; R459-D540 IonicContact CZ-OD1 3.76Å; R459-D540 IonicContact NE-OD1 2.79Å; R459-D540 PolarHBondContact NE-OD1 2.84Å; R459-D540 IonicContact NH2-OD1 2.75Å; R459-D540 PolarHBondContact NH2-OD1 2.83Å; R459-Y543 HydrophobicContact CB-CD1 4.24Å; R459-Y543 HydrophobicContact CB-CD2 3.82Å; R459-Y543 HydrophobicContact CB-CE1 4.33Å; R459-Y543 HydrophobicContact CB-CE2 3.89Å; R459-Y543 HydrophobicContact CB-CG 3.98Å; R459-Y543 HydrophobicContact CG-CD2 4.05Å; R459-Y543 HydrophobicContact CG-CE2 3.71Å
460	K	96.9	Very high	91.2	Very high	133 Å²	133	76.6 Å²	76.6	58%	0.578	41%	0.412	S	S	*	.	H	α-helix	trans	-58.7	-37.3	179.8	-66.5	171.2	-169.7	128.9	0	111.9	D457 R464	D457-K460 HydrophobicContact CB-CB 4.22Å; D457-K460 HydrophobicContact CB-CD 4.01Å; D457-K460 HydrophobicContact CB-CG 4.35Å; D457-K460 WeakPolarHBondContact OD1-CG 3.32Å; D457-K460 PolarHBondContact OD1-N 3.2Å; D457-K460 IonicContact OD2-NZ 2.81Å; D457-K460 PolarHBondContact OD2-NZ 3.02Å; K460-R464 WeakPolarHBondContact O-CB 3.37Å; K460-R464 PolarHBondContact O-N 3.47Å; K460-R464 VanDerWaalsContact O-N 3.12Å
461	L	97.4	Very high	89	Confident	28 Å²	28	77.5 Å²	77.5	15%	0.147	41%	0.406	C	S	.	.	H	α-helix	trans	-63	-49.8	175.6	176.6	66.3	0	0	0	112	F414 I430 Q456 D457 R459 L465	F414-L461 HydrophobicContact CZ-CD2 4.42Å; I430-L461 HydrophobicContact CD1-CD1 4.33Å; I430-L461 HydrophobicContact CD1-CD2 3.84Å; I430-L461 HydrophobicContact CG1-CD2 4.44Å; I430-L461 HydrophobicContact CG2-CD2 3.59Å; Q456-L461 HydrophobicContact CB-CD2 4.37Å; D457-L461 VanDerWaalsContact O-CB 3.24Å; D457-L461 WeakPolarHBondContact O-CB 3.44Å; D457-L461 PolarHBondContact O-N 3.29Å; R459-L461 VanDerWaalsContact C-N 3.25Å; R459-L461 PolarHBondContact O-N 3.15Å; L461-L465 HydrophobicContact CD1-CD1 3.71Å; L461-L465 HydrophobicContact CD1-CG 4.24Å; L461-L465 HydrophobicContact CG-CD1 4.01Å; L461-L465 WeakPolarHBondContact O-CB 3.38Å; L461-L465 WeakPolarHBondContact O-CG 3.46Å; L461-L465 PolarHBondContact O-N 3.02Å
462	C	97.6	Very high	86.4	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-68.2	-47.7	-177.5	-75.2	0	0	0	0	112.2	L408 L458 R459 R464 L465 R466 Y543	L408-C462 HydrophobicContact CB-CB 4.17Å; L458-C462 WeakPolarHBondContact O-CB 3.45Å; L458-C462 PolarHBondContact O-N 3.15Å; L458-C462 PolarHBondContact O-SG 3.1Å; L458-C462 VanDerWaalsContact O-SG 3.34Å; R459-C462 PolarHBondContact O-N 3.45Å; R459-C462 VanDerWaalsContact O-N 3.12Å; C462-R464 PolarHBondContact O-N 3.3Å; C462-L465 PolarHBondContact O-N 3.48Å; C462-R466 WeakPolarHBondContact O-CB 3.38Å; C462-R466 PolarHBondContact O-N 3.31Å; C462-Y543 HydrophobicContact CB-CE1 3.78Å
463	E	95.2	Very high	83.5	Confident	41 Å²	41	74.1 Å²	74.1	19%	0.192	41%	0.41	C	S	.	.	H	α-helix	trans	-60.8	-45.7	180	-71.3	167.6	-178.6	0	0	111	R459 L465 R466 G467 M468	R459-E463 VanDerWaalsContact CG-CD 3.41Å; R459-E463 HydrophobicContact CG-CG 4.45Å; R459-E463 WeakPolarHBondContact CG-OE1 3.44Å; R459-E463 WeakPolarHBondContact CG-OE2 3.44Å; R459-E463 IonicContact CZ-OE1 3.71Å; R459-E463 IonicContact NH1-OE1 2.77Å; R459-E463 PolarHBondContact NH1-OE1 2.97Å; R459-E463 WeakPolarHBondContact O-CB 3.42Å; R459-E463 WeakPolarHBondContact O-CG 3.47Å; R459-E463 PolarHBondContact O-N 3.41Å; E463-L465 PolarHBondContact O-N 3.12Å; E463-R466 PolarHBondContact O-N 3.02Å; E463-G467 PolarHBondContact O-N 3.39Å; E463-M468 HydrophobicContact CB-CB 4.33Å; E463-M468 PolarHBondContact O-N 3.19Å
464	R	95.6	Very high	80.7	Confident	181 Å²	181	81.3 Å²	81.3	68%	0.683	44%	0.438	S	S	*	.	H	α-helix	trans	-62.2	-41.3	174.5	-172.6	170.1	-179.7	-167.3	2.5	113.5	K460 C462 G467 D469	K460-R464 WeakPolarHBondContact O-CB 3.37Å; K460-R464 PolarHBondContact O-N 3.47Å; K460-R464 VanDerWaalsContact O-N 3.12Å; C462-R464 PolarHBondContact O-N 3.3Å; R464-G467 PolarHBondContact O-N 2.87Å; R464-D469 WeakPolarHBondContact CB-OD2 3.34Å; R464-D469 WeakPolarHBondContact CD-OD2 3.37Å; R464-D469 WeakPolarHBondContact CG-OD2 3.36Å
465	L	95.4	Very high	77.6	Confident	43 Å²	43	85.3 Å²	85.3	23%	0.225	45%	0.454	C	S	.	.	H	α-helix	trans	-71.4	-33	178.8	-74.2	174.8	0	0	0	112.2	S409 R411 F414 L461 C462 E463 G467	S409-L465 CarbonylContact O-C 3.54Å; S409-L465 VanDerWaalsContact O-C 3.29Å; R411-L465 HydrophobicContact CG-CB 4.09Å; R411-L465 HydrophobicContact CG-CD1 4.44Å; R411-L465 PolarHBondContact NE-O 2.67Å; R411-L465 PolarHBondContact NH2-O 3.01Å; F414-L465 HydrophobicContact CE2-CD1 3.68Å; F414-L465 HydrophobicContact CZ-CD1 4.06Å; L461-L465 HydrophobicContact CD1-CD1 3.71Å; L461-L465 HydrophobicContact CD1-CG 4.24Å; L461-L465 HydrophobicContact CG-CD1 4.01Å; L461-L465 WeakPolarHBondContact O-CB 3.38Å; L461-L465 WeakPolarHBondContact O-CG 3.46Å; L461-L465 PolarHBondContact O-N 3.02Å; C462-L465 PolarHBondContact O-N 3.48Å; E463-L465 PolarHBondContact O-N 3.12Å; L465-G467 VanDerWaalsContact C-N 3.28Å
466	R	92.6	Very high	74.5	Confident	43 Å²	43	88.2 Å²	88.2	16%	0.162	47%	0.466	C	S	.	.	H	α-helix	trans	-71.5	-23.5	172.7	-178	169.3	-70.7	-79.4	-7.6	112.8	L407 L408 S409 C462 E463 M468 W535	L407-R466 PolarHBondContact O-NH2 3.32Å; L408-R466 PolarHBondContact O-NE 2.87Å; L408-R466 PolarHBondContact O-NH2 3.04Å; L408-R466 VanDerWaalsContact O-NH2 3.12Å; S409-R466 WeakPolarHBondContact O-CA 3.3Å; S409-R466 PolarHBondContact O-N 3.14Å; S409-R466 VanDerWaalsContact O-N 3.17Å; C462-R466 WeakPolarHBondContact O-CB 3.38Å; C462-R466 PolarHBondContact O-N 3.31Å; E463-R466 PolarHBondContact O-N 3.02Å; R466-M468 HydrophobicContact CB-CG 4.11Å; R466-M468 WeakPolarHBondContact CD-SD 3.21Å; R466-M468 HydrophobicContact CG-CG 3.79Å; R466-M468 HydrophobicContact CG-SD 4.02Å; R466-W535 VanDerWaalsContact CZ-CH2 3.49Å; R466-W535 VanDerWaalsContact NE-CZ3 3.32Å; R466-W535 VanDerWaalsContact NH2-CH2 3.32Å
467	G	88	Confident	71.4	Confident	64 Å²	64	89 Å²	89	66%	0.66	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	28.4	-178.3	0	0	0	0	0	113.5	E463 R464 L465	E463-G467 PolarHBondContact O-N 3.39Å; R464-G467 PolarHBondContact O-N 2.87Å; L465-G467 VanDerWaalsContact C-N 3.28Å
468	M	71.4	Confident	68.3	Low	62 Å²	62	92 Å²	92	31%	0.305	50%	0.498	S	S	.	.			trans	-93.1	-10	-178.5	-59.1	-163.8	62.9	0	0	114	E463 R466 S470 W535	E463-M468 HydrophobicContact CB-CB 4.33Å; E463-M468 PolarHBondContact O-N 3.19Å; R466-M468 HydrophobicContact CB-CG 4.11Å; R466-M468 WeakPolarHBondContact CD-SD 3.21Å; R466-M468 HydrophobicContact CG-CG 3.79Å; R466-M468 HydrophobicContact CG-SD 4.02Å; M468-S470 PolarHBondContact O-N 3.34Å; M468-S470 VanDerWaalsContact O-N 3.07Å; M468-W535 VanDerWaalsContact CE-C 3.48Å; M468-W535 HydrophobicContact CE-CB 3.98Å; M468-W535 WeakPolarHBondContact CE-O 3.38Å; M468-W535 HydrophobicContact SD-CB 4.06Å
469	D	61.7	Low	65.3	Low	58 Å²	58	99.1 Å²	99.1	31%	0.31	53%	0.534	S	S	.	.			trans	-62.6	108.3	176.7	-79.4	1.8	0	0	0	111.7	R464 N471 T472	R464-D469 WeakPolarHBondContact CB-OD2 3.34Å; R464-D469 WeakPolarHBondContact CD-OD2 3.37Å; R464-D469 WeakPolarHBondContact CG-OD2 3.36Å; D469-N471 PolarHBondContact O-N 3.38Å; D469-N471 VanDerWaalsContact O-N 3.12Å; D469-T472 PolarHBondContact O-N 2.98Å; D469-T472 PolarHBondContact O-OG1 2.99Å
470	S	52.7	Low	62.2	Low	114 Å²	114	105 Å²	105	80%	0.797	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-9.1	178.4	50.8	0	0	0	0	114.9	M468 T472	M468-S470 PolarHBondContact O-N 3.34Å; M468-S470 VanDerWaalsContact O-N 3.07Å; S470-T472 VanDerWaalsContact C-N 3.34Å; S470-T472 PolarHBondContact O-N 3.47Å
471	N	47.2	Very low	58.9	Low	158 Å²	158	101.9 Å²	101.9	85%	0.845	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	9.1	-179.7	-77.7	-30.5	0	0	0	114.7	D469	D469-N471 PolarHBondContact O-N 3.38Å; D469-N471 VanDerWaalsContact O-N 3.12Å
472	T	41.3	Very low	55.8	Low	102 Å²	102	106.9 Å²	106.9	63%	0.626	60%	0.604	S	S	*	*	S	Bend	trans	-86.6	120.8	170.9	-31.4	0	0	0	0	109	D469 S470 K474	D469-T472 PolarHBondContact O-N 2.98Å; D469-T472 PolarHBondContact O-OG1 2.99Å; S470-T472 VanDerWaalsContact C-N 3.34Å; S470-T472 PolarHBondContact O-N 3.47Å; T472-K474 PolarHBondContact O-N 2.66Å
473	P	35.7	Very low	52.4	Low	115 Å²	115	111.7 Å²	111.7	75%	0.747	64%	0.644	S	S	*	*			trans	-62.1	116.3	179.3	-16.4	27.7	0	0	0	109.7	L475	P473-L475 PolarHBondContact O-N 3.25Å; P473-L475 VanDerWaalsContact O-N 3.08Å
474	K	38.8	Very low	49.3	Very low	194 Å²	194	114.7 Å²	114.7	84%	0.843	67%	0.67	S	S	*	*			trans	-62.9	113.2	166.1	-72.1	-178.1	179.1	178	0	106.8	T472 T476	T472-K474 PolarHBondContact O-N 2.66Å; K474-T476 VanDerWaalsContact C-N 3.34Å; K474-T476 PolarHBondContact O-N 3.08Å
475	L	32.9	Very low	46.2	Very low	172 Å²	172	114.9 Å²	114.9	90%	0.901	68%	0.678	S	S	*	*			trans	-66.6	96.9	173.7	-150.2	83.1	0	0	0	107.4	P473 S477	P473-L475 PolarHBondContact O-N 3.25Å; P473-L475 VanDerWaalsContact O-N 3.08Å; L475-S477 PolarHBondContact O-N 3.26Å; L475-S477 VanDerWaalsContact O-N 3.08Å
476	T	32.2	Very low	42.9	Very low	110 Å²	110	120.9 Å²	120.9	68%	0.675	71%	0.705	S	S	*	*			trans	-67.9	106.4	174.9	44.9	0	0	0	0	107.9	K474 D478	K474-T476 VanDerWaalsContact C-N 3.34Å; K474-T476 PolarHBondContact O-N 3.08Å; T476-D478 PolarHBondContact O-N 2.91Å
477	S	33.5	Very low	40.2	Very low	107 Å²	107	124.8 Å²	124.8	75%	0.748	74%	0.735	S	S	*	*			trans	-70.3	99.4	168.2	54.3	0	0	0	0	108.4	L475 I479	L475-S477 PolarHBondContact O-N 3.26Å; L475-S477 VanDerWaalsContact O-N 3.08Å; S477-I479 PolarHBondContact O-N 2.86Å
478	D	32.1	Very low	37.3	Very low	135 Å²	135	125.2 Å²	125.2	72%	0.722	73%	0.733	S	S	*	*			trans	-58.1	120	173.6	-68.5	-47.6	0	0	0	110.4	T476	T476-D478 PolarHBondContact O-N 2.91Å
479	I	36.4	Very low	35.2	Very low	161 Å²	161	128.4 Å²	128.4	83%	0.826	76%	0.756	S	S	*	*			trans	-118.5	103.7	156.9	-62.6	-177.5	0	0	0	106.4	S477 G481	S477-I479 PolarHBondContact O-N 2.86Å; I479-G481 PolarHBondContact O-N 2.98Å
480	Q	32.1	Very low	33.5	Very low	184 Å²	184	130.6 Å²	130.6	86%	0.86	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-71.9	120.3	175.8	-70.4	167.2	-17.9	0	0	109.8
481	G	26.1	Very low	32.3	Very low	67 Å²	67	131.8 Å²	131.8	69%	0.691	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-100.2	141.5	158.8	0	0	0	0	0	109.4	I479	I479-G481 PolarHBondContact O-N 2.98Å
482	P	32.4	Very low	31.3	Very low	133 Å²	133	131.3 Å²	131.3	86%	0.864	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-75.1	153.9	-167	30	-35.5	0	0	0	113.8
483	A	27.8	Very low	30.6	Very low	102 Å²	102	132 Å²	132	84%	0.843	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-75.7	156.3	-173.9	0	0	0	0	0	114.6
484	S	29	Very low	30.3	Very low	104 Å²	104	132.9 Å²	132.9	73%	0.727	76%	0.761	S	S	*	*			trans	-155.1	123.1	148.1	41.7	0	0	0	0	113.1
485	H	30.5	Very low	30	Very low	185 Å²	185	131.1 Å²	131.1	86%	0.856	76%	0.756	S	S	*	*			trans	57.5	97.6	151.9	-56.5	-59.6	0	0	0	122.2
486	Q	25.8	Very low	29.8	Very low	169 Å²	169	131.2 Å²	131.2	79%	0.79	75%	0.749	S	S	*	*				-72.2	170.5	128	-83.1	-155.8	17.3	0	0	110.2
487	P	37.2	Very low	29.7	Very low	124 Å²	124	130.3 Å²	130.3	81%	0.805	75%	0.752	S	S	*	*			cis	-137.3	-168	24.6	34.9	-11.5	0	0	0	114.4
488	A	27.1	Very low	29.5	Very low	74 Å²	74	129.5 Å²	129.5	61%	0.612	75%	0.747	S	S	*	*			cis	-171	-175.9	-41.4	0	0	0	0	0	108.6
489	V	25.9	Very low	29.4	Very low	129 Å²	129	133.7 Å²	133.7	78%	0.782	75%	0.752	S	S	*	*			trans	83.7	122.4	156.3	-165.5	0	0	0	0	120.2
490	S	26	Very low	28.9	Very low	104 Å²	104	132 Å²	132	73%	0.727	74%	0.744	S	S	*	*			trans	66.2	159.8	150.8	73.4	0	0	0	0	119.1
491	E	27.7	Very low	28.7	Very low	139 Å²	139	128.7 Å²	128.7	65%	0.65	74%	0.737	S	S	*	*			cis	-160.9	165.9	-17.4	-118.6	-168.8	157.4	0	0	108.4
492	K	26.9	Very low	28.7	Very low	147 Å²	147	133.8 Å²	133.8	64%	0.639	74%	0.743	S	S	*	*			trans	56.6	108	144.7	-73.8	170.5	-170.8	146.8	0	120.1
493	T	27.1	Very low	28.5	Very low	117 Å²	117	133.2 Å²	133.2	72%	0.718	74%	0.737	S	S	*	*				66.6	113	102.7	60.8	0	0	0	0	116.7
494	D	28.4	Very low	29.1	Very low	133 Å²	133	133.9 Å²	133.9	71%	0.711	73%	0.733	S	S	*	*				175	133.9	111.5	-93.1	-22.5	0	0	0	109.8
495	H	32.7	Very low	29.9	Very low	158 Å²	158	135 Å²	135	73%	0.731	74%	0.738	S	S	*	*				49.1	131.5	93.4	-66.1	-33.9	0	0	0	113.7
496	K	29.1	Very low	29.7	Very low	174 Å²	174	129.8 Å²	129.8	76%	0.757	73%	0.734	S	S	*	*			cis	-169.7	140.5	8.4	-126.6	174.3	-173.7	168.7	0	108.2
497	A	28.7	Very low	29.9	Very low	90 Å²	90	130.6 Å²	130.6	74%	0.744	74%	0.738	S	S	*	*			trans	53.3	164.4	146.7	0	0	0	0	0	118.6
498	S	29.5	Very low	29.4	Very low	90 Å²	90	135.9 Å²	135.9	63%	0.629	74%	0.743	S	S	*	*			cis	-165.7	155.9	14.5	-16.7	0	0	0	0	110.1
499	R	29.9	Very low	29.5	Very low	223 Å²	223	137.8 Å²	137.8	84%	0.842	75%	0.752	S	S	*	*			trans	67.7	152.9	144.5	-63.1	170.9	-171.3	-131.6	2.1	117.5
500	L	27.8	Very low	29.5	Very low	125 Å²	125	135.6 Å²	135.6	65%	0.654	76%	0.756	S	S	*	*			cis	-162	158.5	-13.8	-107.5	162.5	0	0	0	107.7
501	T	26.5	Very low	29.5	Very low	115 Å²	115	138.3 Å²	138.3	71%	0.706	76%	0.762	S	S	*	*			trans	52.2	113.5	150.7	52	0	0	0	0	118.7
502	Q	26.3	Very low	29.6	Very low	175 Å²	175	135.9 Å²	135.9	82%	0.818	76%	0.761	S	S	*	*				43.9	125.1	72.7	-60.6	-171	9.1	0	0	111.3
503	T	27.6	Very low	29.5	Very low	121 Å²	121	137.2 Å²	137.2	74%	0.742	77%	0.767	S	S	*	*			cis	168.7	-175.3	37.9	6.5	0	0	0	0	106.2
504	P	40.8	Very low	29.6	Very low	116 Å²	116	140.2 Å²	140.2	75%	0.753	77%	0.77	S	S	*	*			cis	-130	-129.9	-23.3	35.8	-11.4	0	0	0	110.6
505	P	46.3	Very low	29.5	Very low	127 Å²	127	143.4 Å²	143.4	83%	0.825	78%	0.777	S	S	*	*			trans	-124.1	177.8	-135.6	31.8	-6	0	0	0	115.8
506	G	26.7	Very low	29.1	Very low	76 Å²	76	138.8 Å²	138.8	78%	0.784	77%	0.772	S	S	*	*			trans	-146.3	114.7	170.7	0	0	0	0	0	112.3
507	Q	28.9	Very low	29	Very low	186 Å²	186	138 Å²	138	87%	0.869	78%	0.776	S	S	*	*			trans	-72.5	151.3	165.3	-62.6	168	-35.1	0	0	109.4
508	Y	27.8	Very low	29	Very low	235 Å²	235	139 Å²	139	92%	0.922	78%	0.779	S	S	*	*			trans	-163.2	144.2	133.8	-102.1	-65.3	0	0	0	112.3
509	S	28.2	Very low	29	Very low	113 Å²	113	142.9 Å²	142.9	79%	0.79	79%	0.792	S	S	*	*			trans	-89.6	152.1	176.7	51.5	0	0	0	0	112.6
510	G	25.8	Very low	28.8	Very low	84 Å²	84	137.9 Å²	137.9	87%	0.866	79%	0.791	S	S	*	*			trans	-174.9	95.7	173.6	0	0	0	0	0	117.1
511	N	27.1	Very low	28.9	Very low	160 Å²	160	137.4 Å²	137.4	86%	0.856	80%	0.797	S	S	*	*			trans	-46.3	152.2	174.2	-93.2	-14.1	0	0	0	119.6
512	S	29.1	Very low	28.8	Very low	89 Å²	89	135.2 Å²	135.2	62%	0.622	80%	0.798	S	S	*	*				101.6	114.9	125.2	-84.6	0	0	0	0	125
513	F	26	Very low	28.8	Very low	174 Å²	174	137.5 Å²	137.5	76%	0.763	80%	0.8	S	S	*	*				95.3	123	121.3	-87.4	-52.7	0	0	0	124.8
514	K	28.7	Very low	28.9	Very low	180 Å²	180	137.5 Å²	137.5	78%	0.783	80%	0.804	S	S	*	*			trans	75.7	149.1	150.6	-60.4	175.9	-174.1	177.2	0	115.9
515	K	27.1	Very low	28.2	Very low	200 Å²	200	140.5 Å²	140.5	87%	0.87	81%	0.805	S	S	*	*			cis	-163.4	149.7	15	-151.5	-177.4	178.3	-170.2	0	111
516	G	24.2	Very low	27.7	Very low	61 Å²	61	140.3 Å²	140.3	63%	0.629	80%	0.797	S	S	*	*			trans	55.1	153.5	153.4	0	0	0	0	0	120.5
517	D	27.1	Very low	28.2	Very low	157 Å²	157	144 Å²	144	84%	0.84	79%	0.794	S	S	*	*			cis	-159.7	166.8	-1.3	-87.8	-39	0	0	0	111.4
518	S	27.7	Very low	28.8	Very low	113 Å²	113	142.8 Å²	142.8	79%	0.79	78%	0.783	S	S	*	*			trans	76.1	114	152.3	69.1	0	0	0	0	122.5
519	N	28.5	Very low	29.6	Very low	170 Å²	170	136.5 Å²	136.5	91%	0.909	77%	0.769	S	S	*	*			trans	26.5	111.2	139.9	-70.2	-3.6	0	0	0	121.2
520	S	27	Very low	30.8	Very low	118 Å²	118	135.9 Å²	135.9	83%	0.825	76%	0.761	S	S	*	*				-150.1	134.7	119.5	-170.8	0	0	0	0	110.8	G522	S520-G522 PolarHBondContact O-N 3.08Å
521	C	29.1	Very low	32.5	Very low	115 Å²	115	134.6 Å²	134.6	78%	0.777	73%	0.734	S	S	*	*			trans	-80.3	82.5	-179.1	45.1	0	0	0	0	111.4	Y523	C521-Y523 PolarHBondContact O-N 3.07Å; C521-Y523 VanDerWaalsContact O-N 3.1Å
522	G	24.5	Very low	34.6	Very low	70 Å²	70	131.5 Å²	131.5	72%	0.722	72%	0.717	S	S	*	*			trans	-65.2	105.8	169.9	0	0	0	0	0	111.4	S520 C524	S520-G522 PolarHBondContact O-N 3.08Å; G522-C524 PolarHBondContact O-N 3.32Å; G522-C524 VanDerWaalsContact O-N 3.15Å
523	Y	27.6	Very low	37.1	Very low	223 Å²	223	133.8 Å²	133.8	88%	0.875	72%	0.718	S	S	*	*			trans	-58.8	114.4	160.1	-87.6	-102.5	0	0	0	108	C521 F525	C521-Y523 PolarHBondContact O-N 3.07Å; C521-Y523 VanDerWaalsContact O-N 3.1Å; Y523-F525 PolarHBondContact O-N 3.01Å
524	C	27.9	Very low	39.9	Very low	121 Å²	121	127.5 Å²	127.5	82%	0.818	70%	0.702	S	S	*	*			trans	-66.6	100.1	166.7	-97.8	0	0	0	0	108.3	G522 D526	G522-C524 PolarHBondContact O-N 3.32Å; G522-C524 VanDerWaalsContact O-N 3.15Å; C524-D526 PolarHBondContact O-N 3.43Å
525	F	27.7	Very low	42.9	Very low	178 Å²	178	119.2 Å²	119.2	78%	0.781	67%	0.666	S	S	*	*			trans	-79.7	96.9	166.2	-161.6	-93.1	0	0	0	106.2	Y523 E527	Y523-F525 PolarHBondContact O-N 3.01Å; F525-E527 VanDerWaalsContact C-N 3.28Å; F525-E527 PolarHBondContact O-N 3.1Å
526	D	34.8	Very low	45.8	Very low	123 Å²	123	116.6 Å²	116.6	66%	0.658	66%	0.661	S	S	*	*			trans	-63.1	94.6	172.9	-82	-24.2	0	0	0	108.1	C524 Y528	C524-D526 PolarHBondContact O-N 3.43Å; D526-Y528 PolarHBondContact O-N 3.38Å; D526-Y528 VanDerWaalsContact O-N 3.16Å
527	E	37.3	Very low	48.9	Very low	153 Å²	153	122 Å²	122	72%	0.715	67%	0.67	S	S	*	*			trans	-66	111.1	174.5	-171.8	169.3	-152.5	0	0	107.8	F525 T529	F525-E527 VanDerWaalsContact C-N 3.28Å; F525-E527 PolarHBondContact O-N 3.1Å; E527-T529 HydrophobicContact CG-CG2 4.48Å; E527-T529 PolarHBondContact O-N 2.7Å
528	Y	42	Very low	52.1	Low	161 Å²	161	114.7 Å²	114.7	63%	0.631	63%	0.631	S	S	*	*			trans	-66.4	72.4	173.1	-79.7	-91.3	0	0	0	110	D526 T530	D526-Y528 PolarHBondContact O-N 3.38Å; D526-Y528 VanDerWaalsContact O-N 3.16Å; Y528-T530 PolarHBondContact O-N 2.65Å
529	T	44.7	Very low	55.4	Low	104 Å²	104	111.3 Å²	111.3	64%	0.638	61%	0.606	S	S	*	*			trans	-54.6	126.8	170.2	39.2	0	0	0	0	108.4	E527 N531	E527-T529 HydrophobicContact CG-CG2 4.48Å; E527-T529 PolarHBondContact O-N 2.7Å; T529-N531 VanDerWaalsContact C-N 3.29Å; T529-N531 PolarHBondContact O-N 3.08Å
530	T	52.7	Low	58.7	Low	100 Å²	100	108.3 Å²	108.3	61%	0.613	59%	0.591	S	S	*	*			trans	-69.7	87.3	-178.5	47.6	0	0	0	0	109.4	Y528 L532	Y528-T530 PolarHBondContact O-N 2.65Å; T530-L532 VanDerWaalsContact C-N 3.27Å; T530-L532 PolarHBondContact O-N 2.64Å
531	N	61.2	Low	62	Low	57 Å²	57	105.1 Å²	105.1	31%	0.305	56%	0.563	S	S	.	*			trans	-73.3	84.1	179	-169.6	-8.3	0	0	0	110.3	L149 S150 T529 E533	L149-N531 CarbonylContact C-O 3.4Å; S150-N531 WeakPolarHBondContact CA-O 3.47Å; S150-N531 PolarHBondContact N-O 3.21Å; T529-N531 VanDerWaalsContact C-N 3.29Å; T529-N531 PolarHBondContact O-N 3.08Å; N531-E533 PolarHBondContact O-N 3.38Å; N531-E533 WeakPolarHBondContact OD1-CB 3.19Å; N531-E533 PolarHBondContact OD1-N 2.84Å; N531-E533 VanDerWaalsContact OD1-N 3.12Å
532	L	71.2	Confident	65.3	Low	95 Å²	95	99.7 Å²	99.7	50%	0.497	53%	0.526	S	S	.	.			trans	-86.1	16.7	176.7	-67.9	168.1	0	0	0	112.8	T530 W535	T530-L532 VanDerWaalsContact C-N 3.27Å; T530-L532 PolarHBondContact O-N 2.64Å; L532-W535 PolarHBondContact O-N 3.07Å
533	E	82.2	Confident	68.9	Low	137 Å²	137	97.1 Å²	97.1	64%	0.64	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	138.6	179.2	-172.8	175.3	-157.4	0	0	112.2	F151 N531 W535	F151-E533 PolarHBondContact N-O 2.97Å; N531-E533 PolarHBondContact O-N 3.38Å; N531-E533 WeakPolarHBondContact OD1-CB 3.19Å; N531-E533 PolarHBondContact OD1-N 2.84Å; N531-E533 VanDerWaalsContact OD1-N 3.12Å; E533-W535 PolarHBondContact O-N 2.73Å
534	G	85	Confident	72.3	Confident	41 Å²	41	90 Å²	90	42%	0.423	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	-7	179.5	0	0	0	0	0	116.1
535	W	92.1	Very high	75.6	Confident	6 Å²	6	84.2 Å²	84.2	2%	0.023	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-73.9	-27.3	179.8	-76.1	102.9	0	0	0	114.2	L149 F151 V154 L407 L408 R466 M468 L532 E533 E537 V538	L149-W535 PolarHBondContact O-NE1 3.36Å; F151-W535 HydrophobicContact CB-CD2 4.4Å; F151-W535 HydrophobicContact CD2-CD2 4.35Å; F151-W535 HydrophobicContact CD2-CE3 4.03Å; F151-W535 HydrophobicContact CD2-CH2 4.01Å; F151-W535 HydrophobicContact CD2-CZ2 4.37Å; F151-W535 AromaticContact CD2-CZ3 3.85Å; F151-W535 HydrophobicContact CD2-CZ3 3.85Å; F151-W535 HydrophobicContact CE2-CZ3 4.34Å; V154-W535 HydrophobicContact CG2-CH2 3.98Å; V154-W535 HydrophobicContact CG2-CZ2 3.72Å; L407-W535 WeakPolarHBondContact O-CH2 3.49Å; L408-W535 HydrophobicContact CD2-CH2 4.36Å; L408-W535 HydrophobicContact CD2-CZ3 4.1Å; R466-W535 VanDerWaalsContact CZ-CH2 3.49Å; R466-W535 VanDerWaalsContact NE-CZ3 3.32Å; R466-W535 VanDerWaalsContact NH2-CH2 3.32Å; M468-W535 VanDerWaalsContact CE-C 3.48Å; M468-W535 HydrophobicContact CE-CB 3.98Å; M468-W535 WeakPolarHBondContact CE-O 3.38Å; M468-W535 HydrophobicContact SD-CB 4.06Å; L532-W535 PolarHBondContact O-N 3.07Å; E533-W535 PolarHBondContact O-N 2.73Å; W535-E537 PolarHBondContact O-N 3.17Å; W535-V538 HydrophobicContact CE3-CG2 3.91Å; W535-V538 HydrophobicContact CZ3-CG2 4.28Å; W535-V538 WeakPolarHBondContact O-CG2 3.3Å
536	N	87.8	Confident	79	Confident	146 Å²	146	75.7 Å²	75.7	78%	0.781	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-65	-23	-177.5	-65.1	-23.7	0	0	0	113.4
537	E	88.9	Confident	82.1	Confident	173 Å²	173	73.1 Å²	73.1	81%	0.808	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-134.9	58	-173.8	-64.6	-177.4	178.4	0	0	110	W535 P539	W535-E537 PolarHBondContact O-N 3.17Å; E537-P539 WeakPolarHBondContact O-CD 3.46Å
538	V	94.8	Very high	85	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.03	36%	0.363	C	S	.	.			trans	-61.4	120.9	175.1	177.2	0	0	0	0	109.3	F151 L408 R459 W535 A542 Y543	F151-V538 HydrophobicContact CD2-CG2 3.99Å; F151-V538 HydrophobicContact CE2-CB 4.27Å; F151-V538 HydrophobicContact CE2-CG1 3.64Å; F151-V538 HydrophobicContact CE2-CG2 3.88Å; F151-V538 HydrophobicContact CZ-CB 4.47Å; F151-V538 HydrophobicContact CZ-CG1 3.74Å; F151-V538 HydrophobicContact CZ-CG2 4.5Å; L408-V538 HydrophobicContact CD2-CG1 4.43Å; R459-V538 VanDerWaalsContact CZ-O 3.3Å; R459-V538 PolarHBondContact NH1-O 3.27Å; R459-V538 PolarHBondContact NH2-O 3.1Å; W535-V538 HydrophobicContact CE3-CG2 3.91Å; W535-V538 HydrophobicContact CZ3-CG2 4.28Å; W535-V538 WeakPolarHBondContact O-CG2 3.3Å; V538-A542 HydrophobicContact CG1-CB 3.8Å; V538-Y543 HydrophobicContact CB-CE2 3.99Å; V538-Y543 HydrophobicContact CG1-CD2 4.18Å; V538-Y543 HydrophobicContact CG1-CE2 3.35Å
539	P	96	Very high	87.7	Confident	41 Å²	41	61.7 Å²	61.7	27%	0.266	33%	0.333	S	S	.	.			trans	-68.2	150.9	-178.1	27	-35.3	0	0	0	112.6	F151 E537 E541 A542	F151-P539 VanDerWaalsContact CE1-CD 3.41Å; F151-P539 HydrophobicContact CE1-CG 3.83Å; F151-P539 HydrophobicContact CZ-CG 4.09Å; E537-P539 WeakPolarHBondContact O-CD 3.46Å; P539-E541 WeakPolarHBondContact CB-OE2 3.48Å; P539-E541 PolarHBondContact O-N 2.65Å; P539-A542 HydrophobicContact CG-CB 4.49Å; P539-A542 VanDerWaalsContact O-CB 3.25Å; P539-A542 WeakPolarHBondContact O-CB 3.41Å; P539-A542 PolarHBondContact O-N 3.42Å; P539-A542 VanDerWaalsContact O-N 3.07Å
540	D	97.4	Very high	90.3	Very high	108 Å²	108	56.8 Å²	56.8	58%	0.578	30%	0.302	S	S	*	.	H	α-helix	trans	-60.6	-32	178.9	-76.3	-36.8	0	0	0	112.2	R459 A542 Y543 D544	R459-D540 IonicContact CZ-OD1 3.76Å; R459-D540 IonicContact NE-OD1 2.79Å; R459-D540 PolarHBondContact NE-OD1 2.84Å; R459-D540 IonicContact NH2-OD1 2.75Å; R459-D540 PolarHBondContact NH2-OD1 2.83Å; D540-A542 PolarHBondContact O-N 3.49Å; D540-A542 VanDerWaalsContact O-N 3.08Å; D540-Y543 PolarHBondContact O-N 2.85Å; D540-D544 PolarHBondContact O-N 3.41Å
541	E	98.3	Very high	92.5	Very high	51 Å²	51	53.9 Å²	53.9	24%	0.238	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-24.2	176.2	-59.4	97.4	121.4	0	0	113.2	P539 L545 H566 P567 F568 K570	P539-E541 WeakPolarHBondContact CB-OE2 3.48Å; P539-E541 PolarHBondContact O-N 2.65Å; E541-L545 WeakPolarHBondContact O-CB 3.39Å; E541-L545 PolarHBondContact O-N 2.95Å; E541-L545 VanDerWaalsContact O-N 3.08Å; E541-H566 PolarHBondContact O-CE1 3.48Å; E541-P567 HydrophobicContact CG-CB 4.04Å; E541-F568 HydrophobicContact CB-CB 4.12Å; E541-K570 IonicContact OE1-NZ 2.64Å; E541-K570 PolarHBondContact OE1-NZ 2.94Å
542	A	98.4	Very high	94.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.5	-44	174.2	0	0	0	0	0	111.7	F151 F404 V538 P539 D540 L546 F568	F151-A542 HydrophobicContact CZ-CB 3.98Å; F404-A542 WeakPolarHBondContact CE1-O 3.3Å; F404-A542 HydrophobicContact CZ-CB 4.23Å; V538-A542 HydrophobicContact CG1-CB 3.8Å; P539-A542 HydrophobicContact CG-CB 4.49Å; P539-A542 VanDerWaalsContact O-CB 3.25Å; P539-A542 WeakPolarHBondContact O-CB 3.41Å; P539-A542 PolarHBondContact O-N 3.42Å; P539-A542 VanDerWaalsContact O-N 3.07Å; D540-A542 PolarHBondContact O-N 3.49Å; D540-A542 VanDerWaalsContact O-N 3.08Å; A542-L546 WeakPolarHBondContact O-CB 3.36Å; A542-L546 PolarHBondContact O-N 3.02Å; A542-F568 HydrophobicContact CB-CD2 3.8Å; A542-F568 HydrophobicContact CB-CE2 3.47Å; A542-F568 VanDerWaalsContact CB-CE2 3.47Å; A542-F568 HydrophobicContact CB-CZ 4.29Å
543	Y	98.5	Very high	95.6	Very high	17 Å²	17	48.7 Å²	48.7	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-79.4	-31.5	-179.3	-62.1	-67.7	0	0	0	112	L408 L458 R459 C462 V538 D540 L546 D547	L408-Y543 HydrophobicContact CD1-CD1 4.32Å; L408-Y543 HydrophobicContact CD1-CE1 4.12Å; L458-Y543 HydrophobicContact CB-CD1 4.33Å; R459-Y543 HydrophobicContact CB-CD1 4.24Å; R459-Y543 HydrophobicContact CB-CD2 3.82Å; R459-Y543 HydrophobicContact CB-CE1 4.33Å; R459-Y543 HydrophobicContact CB-CE2 3.89Å; R459-Y543 HydrophobicContact CB-CG 3.98Å; R459-Y543 HydrophobicContact CG-CD2 4.05Å; R459-Y543 HydrophobicContact CG-CE2 3.71Å; C462-Y543 HydrophobicContact CB-CE1 3.78Å; V538-Y543 HydrophobicContact CB-CE2 3.99Å; V538-Y543 HydrophobicContact CG1-CD2 4.18Å; V538-Y543 HydrophobicContact CG1-CE2 3.35Å; D540-Y543 PolarHBondContact O-N 2.85Å; Y543-L546 HydrophobicContact CD1-CD2 4.42Å; Y543-L546 PolarHBondContact O-N 3.16Å; Y543-D547 WeakPolarHBondContact O-CB 3.23Å; Y543-D547 PolarHBondContact O-N 3.12Å
544	D	98.8	Very high	96.4	Very high	72 Å²	72	43.4 Å²	43.4	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-44.9	169.7	-174.3	52.5	0	0	0	111.5	D540 L546 D547 K548 H566	D540-D544 PolarHBondContact O-N 3.41Å; D544-L546 PolarHBondContact O-N 2.7Å; D544-D547 PolarHBondContact O-N 3.26Å; D544-K548 WeakPolarHBondContact O-CG 3.34Å; D544-K548 PolarHBondContact O-N 3.05Å; D544-K548 VanDerWaalsContact O-N 3.11Å; D544-K548 IonicContact OD1-NZ 3.93Å; D544-K548 PolarHBondContact OD1-NZ 2.87Å; D544-K548 WeakPolarHBondContact OD2-CE 3.38Å; D544-K548 IonicContact OD2-NZ 2.89Å; D544-K548 PolarHBondContact OD2-NZ 2.87Å; D544-H566 IonicContact OD2-CE1 3.8Å; D544-H566 PolarHBondContact OD2-CE1 3.12Å; D544-H566 IonicContact OD2-NE2 2.8Å; D544-H566 PolarHBondContact OD2-NE2 3.07Å
545	L	98.9	Very high	97	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-43.4	173.2	179.8	58.3	0	0	0	111.7	F162 F404 E541 D547 K548 L549 I558 A563 H566 F568 F569	F162-L545 HydrophobicContact CE2-CD2 4.22Å; F404-L545 HydrophobicContact CE1-CB 4.21Å; F404-L545 HydrophobicContact CE1-CD2 4.1Å; F404-L545 HydrophobicContact CE1-CG 4.15Å; E541-L545 WeakPolarHBondContact O-CB 3.39Å; E541-L545 PolarHBondContact O-N 2.95Å; E541-L545 VanDerWaalsContact O-N 3.08Å; L545-D547 VanDerWaalsContact C-N 3.29Å; L545-D547 PolarHBondContact O-N 2.89Å; L545-K548 PolarHBondContact O-N 2.88Å; L545-L549 HydrophobicContact CD1-CD1 4.1Å; L545-L549 HydrophobicContact CD1-CG 4.21Å; L545-L549 HydrophobicContact CG-CD1 3.85Å; L545-L549 HydrophobicContact CG-CG 4.44Å; L545-L549 WeakPolarHBondContact O-CD1 3.25Å; L545-L549 VanDerWaalsContact O-CG 3.26Å; L545-L549 WeakPolarHBondContact O-CG 3.41Å; L545-L549 PolarHBondContact O-N 3.46Å; L545-I558 HydrophobicContact CD1-CD1 4.11Å; L545-A563 HydrophobicContact CD1-CB 4.35Å; L545-H566 HydrophobicContact CD1-CB 4.17Å; L545-F568 HydrophobicContact CB-CB 4.39Å; L545-F568 HydrophobicContact CD2-CB 4Å; L545-F568 HydrophobicContact CD2-CD1 3.34Å; L545-F568 HydrophobicContact CD2-CE1 4.05Å; L545-F568 HydrophobicContact CD2-CG 3.92Å; L545-F569 HydrophobicContact CD2-CE2 3.84Å; L545-F569 HydrophobicContact CD2-CZ 3.98Å
546	L	98.9	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-40.8	177	-177.4	66.8	0	0	0	111.7	G401 F404 L405 L408 L458 A542 Y543 D544 L549 L550	G401-L546 WeakPolarHBondContact O-CD1 3.45Å; F404-L546 HydrophobicContact CB-CD1 3.98Å; F404-L546 HydrophobicContact CD1-CB 3.94Å; F404-L546 HydrophobicContact CD1-CD1 3.8Å; F404-L546 HydrophobicContact CD1-CG 4.47Å; F404-L546 HydrophobicContact CE1-CB 4.05Å; F404-L546 HydrophobicContact CG-CD1 4.13Å; L405-L546 HydrophobicContact CB-CD1 4.06Å; L405-L546 HydrophobicContact CD1-CD2 4.09Å; L408-L546 HydrophobicContact CD1-CB 4.35Å; L408-L546 HydrophobicContact CD1-CD2 3.87Å; L458-L546 HydrophobicContact CB-CD2 4.25Å; L458-L546 HydrophobicContact CD1-CB 4.4Å; L458-L546 HydrophobicContact CD1-CD2 4Å; L458-L546 HydrophobicContact CD1-CG 4.02Å; L458-L546 HydrophobicContact CD2-CD2 4.37Å; L458-L546 HydrophobicContact CG-CD2 4.45Å; A542-L546 WeakPolarHBondContact O-CB 3.36Å; A542-L546 PolarHBondContact O-N 3.02Å; Y543-L546 HydrophobicContact CD1-CD2 4.42Å; Y543-L546 PolarHBondContact O-N 3.16Å; D544-L546 PolarHBondContact O-N 2.7Å; L546-L549 PolarHBondContact O-N 3.06Å; L546-L550 HydrophobicContact CD1-CD1 3.83Å; L546-L550 HydrophobicContact CD1-CG 4.21Å; L546-L550 HydrophobicContact CG-CD1 4.04Å; L546-L550 WeakPolarHBondContact O-CB 3.42Å; L546-L550 WeakPolarHBondContact O-CG 3.36Å; L546-L550 PolarHBondContact O-N 3.25Å
547	D	98.8	Very high	97.8	Very high	69 Å²	69	42.5 Å²	42.5	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-62.1	-46.5	177.8	-164.9	78.4	0	0	0	111.6	R431 L458 Y543 D544 L545 L549 L550 D551	R431-D547 IonicContact CZ-OD1 3.5Å; R431-D547 IonicContact NH1-OD1 3.39Å; R431-D547 PolarHBondContact NH1-OD1 3.1Å; R431-D547 PolarHBondContact NH2-O 2.83Å; R431-D547 IonicContact NH2-OD1 3.66Å; R431-D547 PolarHBondContact NH2-OD1 3.17Å; R431-D547 IonicContact NH2-OD2 3.13Å; L458-D547 HydrophobicContact CD1-CB 3.97Å; Y543-D547 WeakPolarHBondContact O-CB 3.23Å; Y543-D547 PolarHBondContact O-N 3.12Å; D544-D547 PolarHBondContact O-N 3.26Å; L545-D547 VanDerWaalsContact C-N 3.29Å; L545-D547 PolarHBondContact O-N 2.89Å; D547-L549 PolarHBondContact O-N 3.28Å; D547-L550 CarbonylContact O-C 3.54Å; D547-L550 PolarHBondContact O-N 2.96Å; D547-D551 PolarHBondContact O-N 2.77Å
548	K	98.9	Very high	98.3	Very high	74 Å²	74	35 Å²	35	32%	0.322	20%	0.202	S	C	.	.	H	α-helix	trans	-67	-31.5	177.8	-62.9	-175.1	-138.9	-50.2	0	113.8	D544 L545 R557 I558 H566	D544-K548 WeakPolarHBondContact O-CG 3.34Å; D544-K548 PolarHBondContact O-N 3.05Å; D544-K548 VanDerWaalsContact O-N 3.11Å; D544-K548 IonicContact OD1-NZ 3.93Å; D544-K548 PolarHBondContact OD1-NZ 2.87Å; D544-K548 WeakPolarHBondContact OD2-CE 3.38Å; D544-K548 IonicContact OD2-NZ 2.89Å; D544-K548 PolarHBondContact OD2-NZ 2.87Å; L545-K548 PolarHBondContact O-N 2.88Å; K548-R557 WeakPolarHBondContact O-CG 3.29Å; K548-I558 HydrophobicContact CB-CB 4.01Å; K548-I558 HydrophobicContact CB-CD1 4.48Å; K548-I558 HydrophobicContact CB-CG2 3.92Å; K548-I558 HydrophobicContact CD-CD1 4.24Å; K548-I558 PolarHBondContact O-N 3.05Å; K548-H566 WeakPolarHBondContact CE-NE2 3.19Å
549	L	98.9	Very high	98.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-73	-37.9	173	-69.3	162.2	0	0	0	111.8	F162 M397 F404 L545 L546 D547 D551 R557 I558	F162-L549 HydrophobicContact CE1-CD2 3.71Å; F162-L549 HydrophobicContact CZ-CD1 3.73Å; F162-L549 HydrophobicContact CZ-CD2 3.68Å; F162-L549 HydrophobicContact CZ-CG 4.33Å; M397-L549 HydrophobicContact CE-CD2 3.66Å; F404-L549 HydrophobicContact CD1-CD1 3.9Å; L545-L549 HydrophobicContact CD1-CD1 4.1Å; L545-L549 HydrophobicContact CD1-CG 4.21Å; L545-L549 HydrophobicContact CG-CD1 3.85Å; L545-L549 HydrophobicContact CG-CG 4.44Å; L545-L549 WeakPolarHBondContact O-CD1 3.25Å; L545-L549 VanDerWaalsContact O-CG 3.26Å; L545-L549 WeakPolarHBondContact O-CG 3.41Å; L545-L549 PolarHBondContact O-N 3.46Å; L546-L549 PolarHBondContact O-N 3.06Å; D547-L549 PolarHBondContact O-N 3.28Å; L549-D551 VanDerWaalsContact C-N 3.26Å; L549-D551 PolarHBondContact O-N 2.91Å; L549-R557 WeakPolarHBondContact O-CD 3.4Å; L549-I558 HydrophobicContact CD2-CG2 3.66Å; L549-I558 HydrophobicContact CG-CG2 3.94Å
550	L	98.8	Very high	98.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	28.9	175.5	-60.9	-179.5	0	0	0	112.3	W398 V402 L405 R431 L546 D547 L552	W398-L550 HydrophobicContact CD2-CD2 4.18Å; W398-L550 HydrophobicContact CE3-CD2 4.22Å; W398-L550 HydrophobicContact CH2-CD2 4.24Å; W398-L550 HydrophobicContact CZ2-CD2 4.18Å; W398-L550 HydrophobicContact CZ3-CB 4.24Å; W398-L550 HydrophobicContact CZ3-CD2 4.26Å; V402-L550 HydrophobicContact CG2-CD2 4.28Å; L405-L550 HydrophobicContact CB-CD1 4.37Å; L405-L550 HydrophobicContact CD2-CD1 4.07Å; R431-L550 PolarHBondContact NE-O 2.69Å; R431-L550 PolarHBondContact NH2-O 3.24Å; R431-L550 VanDerWaalsContact NH2-O 3.14Å; L546-L550 HydrophobicContact CD1-CD1 3.83Å; L546-L550 HydrophobicContact CD1-CG 4.21Å; L546-L550 HydrophobicContact CG-CD1 4.04Å; L546-L550 WeakPolarHBondContact O-CB 3.42Å; L546-L550 WeakPolarHBondContact O-CG 3.36Å; L546-L550 PolarHBondContact O-N 3.25Å; D547-L550 CarbonylContact O-C 3.54Å; D547-L550 PolarHBondContact O-N 2.96Å; L550-L552 PolarHBondContact O-N 2.75Å
551	D	98.8	Very high	98.6	Very high	39 Å²	39	35.1 Å²	35.1	21%	0.209	20%	0.2	C	C	.	.			trans	-64.8	127.4	167.1	-175.7	-3.3	0	0	0	108.8	D547 L549 N553 S556 R557	D547-D551 PolarHBondContact O-N 2.77Å; L549-D551 VanDerWaalsContact C-N 3.26Å; L549-D551 PolarHBondContact O-N 2.91Å; D551-N553 VanDerWaalsContact C-N 3.25Å; D551-N553 PolarHBondContact O-N 3.41Å; D551-N553 PolarHBondContact OD1-N 3.27Å; D551-S556 VanDerWaalsContact OD2-CB 3.24Å; D551-S556 WeakPolarHBondContact OD2-CB 3.29Å; D551-S556 PolarHBondContact OD2-OG 3.12Å; D551-R557 HydrophobicContact CB-CB 3.96Å; D551-R557 HydrophobicContact CB-CG 4.14Å; D551-R557 VanDerWaalsContact O-CZ 3.26Å; D551-R557 PolarHBondContact O-NE 2.94Å; D551-R557 PolarHBondContact O-NH2 2.96Å; D551-R557 PolarHBondContact OD2-N 3.34Å
552	L	98.8	Very high	98.7	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.063	21%	0.212	C	C	.	.	S	Bend	trans	-72.6	-22	-178.8	-61.9	163.3	0	0	0	111.7	P382 W398 I427 R431 E435 A439 L550	P382-L552 HydrophobicContact CG-CD2 3.99Å; W398-L552 HydrophobicContact CH2-CD2 3.95Å; W398-L552 HydrophobicContact CZ3-CD2 4.06Å; I427-L552 HydrophobicContact CG2-CD2 3.89Å; R431-L552 HydrophobicContact CB-CD1 3.91Å; R431-L552 HydrophobicContact CB-CD2 3.89Å; R431-L552 HydrophobicContact CB-CG 4.18Å; R431-L552 HydrophobicContact CG-CD2 4.29Å; E435-L552 HydrophobicContact CB-CD1 3.76Å; A439-L552 HydrophobicContact CB-CB 3.51Å; L550-L552 PolarHBondContact O-N 2.75Å
553	N	98.6	Very high	98.7	Very high	32 Å²	32	37.7 Å²	37.7	17%	0.171	21%	0.212	C	C	.	.			trans	-95.1	111.4	176.5	178.5	24.3	0	0	0	110.8	A439 T442 D551 A555 S556 R557	A439-N553 HydrophobicContact CB-CB 4.18Å; T442-N553 PolarHBondContact OG1-OD1 2.89Å; T442-N553 VanDerWaalsContact OG1-OD1 3.06Å; D551-N553 VanDerWaalsContact C-N 3.25Å; D551-N553 PolarHBondContact O-N 3.41Å; D551-N553 PolarHBondContact OD1-N 3.27Å; N553-A555 PolarHBondContact O-N 3.12Å; N553-A555 PolarHBondContact OD1-N 3.42Å; N553-S556 WeakPolarHBondContact CB-OG 3.45Å; N553-S556 PolarHBondContact ND2-OG 3.01Å; N553-S556 PolarHBondContact O-N 2.9Å; N553-S556 PolarHBondContact O-OG 3.41Å; N553-R557 PolarHBondContact O-N 3.34Å; N553-R557 VanDerWaalsContact O-N 3.12Å
554	P	98.4	Very high	98.7	Very high	25 Å²	25	37.3 Å²	37.3	16%	0.162	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.2	-177.5	28	-36	0	0	0	114.7	E383 A394 F443	E383-P554 HydrophobicContact CB-CG 4.25Å; E383-P554 HydrophobicContact CG-CB 4.25Å; E383-P554 HydrophobicContact CG-CG 4.12Å; E383-P554 WeakPolarHBondContact OE1-CB 3.19Å; A394-P554 HydrophobicContact CB-CB 4.08Å; A394-P554 WeakPolarHBondContact CB-O 3.34Å; F443-P554 HydrophobicContact CD1-CG 3.97Å; F443-P554 HydrophobicContact CE1-CG 4.32Å
555	A	98.1	Very high	98.6	Very high	92 Å²	92	39.7 Å²	39.7	76%	0.76	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-21.5	177.2	0	0	0	0	0	113.9	N553	N553-A555 PolarHBondContact O-N 3.12Å; N553-A555 PolarHBondContact OD1-N 3.42Å
556	S	98.4	Very high	98.6	Very high	73 Å²	73	40.3 Å²	40.3	51%	0.51	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-10.9	177.2	45.6	0	0	0	0	113.5	D551 N553 I558	D551-S556 VanDerWaalsContact OD2-CB 3.24Å; D551-S556 WeakPolarHBondContact OD2-CB 3.29Å; D551-S556 PolarHBondContact OD2-OG 3.12Å; N553-S556 WeakPolarHBondContact CB-OG 3.45Å; N553-S556 PolarHBondContact ND2-OG 3.01Å; N553-S556 PolarHBondContact O-N 2.9Å; N553-S556 PolarHBondContact O-OG 3.41Å; S556-I558 PolarHBondContact O-N 3.47Å
557	R	98.8	Very high	98.5	Very high	10 Å²	10	43.9 Å²	43.9	4%	0.038	25%	0.249	C	C	.	.	S	Bend	trans	-57.8	130.8	174.2	-167.8	-177.7	-59.1	139.5	6.6	111.2	E383 A394 M397 K548 L549 D551 N553	E383-R557 IonicContact OE1-CZ 2.68Å; E383-R557 IonicContact OE1-NH1 2.86Å; E383-R557 PolarHBondContact OE1-NH1 3.12Å; E383-R557 IonicContact OE1-NH2 3.81Å; E383-R557 PolarHBondContact OE1-NH2 2.86Å; E383-R557 IonicContact OE2-CZ 2.68Å; E383-R557 IonicContact OE2-NH1 3.26Å; E383-R557 IonicContact OE2-NH2 2.86Å; E383-R557 PolarHBondContact OE2-NH2 2.8Å; A394-R557 VanDerWaalsContact C-NH1 3.34Å; A394-R557 WeakPolarHBondContact O-CD 3.26Å; A394-R557 PolarHBondContact O-NH1 3.26Å; M397-R557 HydrophobicContact CB-CG 4.47Å; K548-R557 WeakPolarHBondContact O-CG 3.29Å; L549-R557 WeakPolarHBondContact O-CD 3.4Å; D551-R557 HydrophobicContact CB-CB 3.96Å; D551-R557 HydrophobicContact CB-CG 4.14Å; D551-R557 VanDerWaalsContact O-CZ 3.26Å; D551-R557 PolarHBondContact O-NE 2.94Å; D551-R557 PolarHBondContact O-NH2 2.96Å; D551-R557 PolarHBondContact OD2-N 3.34Å; N553-R557 PolarHBondContact O-N 3.34Å; N553-R557 VanDerWaalsContact O-N 3.12Å
558	I	98.8	Very high	98.5	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.072	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-56.3	136.8	-176.2	-164.9	171.1	0	0	0	112.7	M397 L545 K548 L549 S556 E562 A563	M397-I558 WeakPolarHBondContact CB-O 3.36Å; M397-I558 WeakPolarHBondContact CE-O 3.34Å; M397-I558 WeakPolarHBondContact CG-O 3.38Å; L545-I558 HydrophobicContact CD1-CD1 4.11Å; K548-I558 HydrophobicContact CB-CB 4.01Å; K548-I558 HydrophobicContact CB-CD1 4.48Å; K548-I558 HydrophobicContact CB-CG2 3.92Å; K548-I558 HydrophobicContact CD-CD1 4.24Å; K548-I558 PolarHBondContact O-N 3.05Å; L549-I558 HydrophobicContact CD2-CG2 3.66Å; L549-I558 HydrophobicContact CG-CG2 3.94Å; S556-I558 PolarHBondContact O-N 3.47Å; I558-E562 HydrophobicContact CD1-CB 4.05Å; I558-E562 HydrophobicContact CG1-CB 3.53Å; I558-A563 HydrophobicContact CD1-CB 4.09Å; I558-A563 HydrophobicContact CG1-CB 4.3Å
559	T	98.9	Very high	98.4	Very high	61 Å²	61	37.7 Å²	37.7	37%	0.374	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-79.8	164.5	173.6	65.8	0	0	0	0	111.9	E561 E562 A563	T559-E561 PolarHBondContact O-N 3.23Å; T559-E562 VanDerWaalsContact CB-OE2 3.28Å; T559-E562 WeakPolarHBondContact CB-OE2 3.46Å; T559-E562 VanDerWaalsContact CG2-OE2 3.31Å; T559-E562 WeakPolarHBondContact CG2-OE2 3.39Å; T559-E562 PolarHBondContact N-OE2 3.23Å; T559-E562 PolarHBondContact O-N 2.75Å; T559-E562 WeakPolarHBondContact OG1-CG 3.37Å; T559-E562 PolarHBondContact OG1-N 2.83Å; T559-E562 PolarHBondContact OG1-OE2 2.79Å; T559-A563 VanDerWaalsContact O-CB 3.23Å; T559-A563 WeakPolarHBondContact O-CB 3.5Å; T559-A563 PolarHBondContact O-N 2.88Å
560	A	98.7	Very high	97.8	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-27.6	176.4	0	0	0	0	0	113.3	L165 K166 M397 L564	L165-A560 HydrophobicContact CB-CB 3.76Å; K166-A560 HydrophobicContact CB-CB 3.94Å; K166-A560 VanDerWaalsContact N-CB 3.3Å; M397-A560 HydrophobicContact CE-CB 4.16Å; M397-A560 HydrophobicContact SD-CB 3.7Å; M397-A560 PolarHBondContact SD-N 3.17Å; M397-A560 VanDerWaalsContact SD-N 3.43Å; A560-L564 WeakPolarHBondContact O-CG 3Å; A560-L564 PolarHBondContact O-N 3.33Å
561	E	98.2	Very high	97.3	Very high	95 Å²	95	50.4 Å²	50.4	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-75	-46.6	177.8	179.2	146.4	-117.9	0	0	112	K166 T559 A563 L564 L565	K166-E561 HydrophobicContact CD-CB 4.22Å; K166-E561 HydrophobicContact CD-CG 4.44Å; K166-E561 WeakPolarHBondContact CE-OE1 3.4Å; K166-E561 IonicContact NZ-OE1 3.79Å; K166-E561 PolarHBondContact NZ-OE1 3.3Å; T559-E561 PolarHBondContact O-N 3.23Å; E561-A563 VanDerWaalsContact C-N 3.32Å; E561-A563 PolarHBondContact O-N 3.48Å; E561-L564 PolarHBondContact O-N 3.38Å; E561-L565 PolarHBondContact O-N 2.88Å
562	E	98.6	Very high	96.8	Very high	104 Å²	104	50.5 Å²	50.5	49%	0.486	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-37.1	173.4	-66.2	158.2	144.9	0	0	111.6	I558 T559 L564 L565 H566	I558-E562 HydrophobicContact CD1-CB 4.05Å; I558-E562 HydrophobicContact CG1-CB 3.53Å; T559-E562 VanDerWaalsContact CB-OE2 3.28Å; T559-E562 WeakPolarHBondContact CB-OE2 3.46Å; T559-E562 VanDerWaalsContact CG2-OE2 3.31Å; T559-E562 WeakPolarHBondContact CG2-OE2 3.39Å; T559-E562 PolarHBondContact N-OE2 3.23Å; T559-E562 PolarHBondContact O-N 2.75Å; T559-E562 WeakPolarHBondContact OG1-CG 3.37Å; T559-E562 PolarHBondContact OG1-N 2.83Å; T559-E562 PolarHBondContact OG1-OE2 2.79Å; E562-L564 VanDerWaalsContact C-N 3.32Å; E562-L564 PolarHBondContact O-N 3.12Å; E562-L565 CarbonylContact O-C 3.54Å; E562-L565 PolarHBondContact O-N 3Å; E562-L565 VanDerWaalsContact O-N 3.08Å; E562-H566 PolarHBondContact O-N 3.35Å
563	A	98.6	Very high	95.8	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-38	177.7	0	0	0	0	0	112.2	F162 M397 L545 I558 T559 E561 L565 H566 F569	F162-A563 HydrophobicContact CD1-CB 4.03Å; F162-A563 HydrophobicContact CD2-CB 3.94Å; F162-A563 HydrophobicContact CE1-CB 4.19Å; F162-A563 HydrophobicContact CE2-CB 4.09Å; F162-A563 HydrophobicContact CG-CB 3.93Å; F162-A563 HydrophobicContact CZ-CB 4.23Å; M397-A563 HydrophobicContact CE-CB 4.17Å; L545-A563 HydrophobicContact CD1-CB 4.35Å; I558-A563 HydrophobicContact CD1-CB 4.09Å; I558-A563 HydrophobicContact CG1-CB 4.3Å; T559-A563 VanDerWaalsContact O-CB 3.23Å; T559-A563 WeakPolarHBondContact O-CB 3.5Å; T559-A563 PolarHBondContact O-N 2.88Å; E561-A563 VanDerWaalsContact C-N 3.32Å; E561-A563 PolarHBondContact O-N 3.48Å; A563-L565 VanDerWaalsContact C-N 3.27Å; A563-L565 PolarHBondContact O-N 3.33Å; A563-H566 WeakPolarHBondContact O-CB 3.15Å; A563-H566 PolarHBondContact O-N 3.13Å; A563-F569 WeakPolarHBondContact O-CD2 3.46Å; A563-F569 WeakPolarHBondContact O-CE2 3.48Å
564	L	98.3	Very high	93.8	Very high	9 Å²	9	59.5 Å²	59.5	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-68.9	-24.2	174.8	-72.9	164.7	0	0	0	113.4	F159 F162 K163 K166 A560 E561 E562 H566 L574	F159-L564 HydrophobicContact CD2-CD2 3.54Å; F159-L564 HydrophobicContact CE2-CD2 3.58Å; F159-L564 HydrophobicContact CG-CD2 4.21Å; F159-L564 HydrophobicContact CZ-CD2 4.28Å; F159-L564 WeakPolarHBondContact O-CD2 3.24Å; F162-L564 HydrophobicContact CB-CD1 4.4Å; F162-L564 HydrophobicContact CB-CD2 3.74Å; F162-L564 HydrophobicContact CB-CG 3.73Å; K163-L564 HydrophobicContact CG-CD1 4.36Å; K163-L564 HydrophobicContact CG-CD2 3.96Å; K166-L564 HydrophobicContact CB-CD1 4.04Å; K166-L564 HydrophobicContact CD-CD1 3.59Å; K166-L564 HydrophobicContact CG-CD1 4.45Å; A560-L564 WeakPolarHBondContact O-CG 3Å; A560-L564 PolarHBondContact O-N 3.33Å; E561-L564 PolarHBondContact O-N 3.38Å; E562-L564 VanDerWaalsContact C-N 3.32Å; E562-L564 PolarHBondContact O-N 3.12Å; L564-H566 VanDerWaalsContact C-N 3.33Å; L564-L574 HydrophobicContact CB-CD2 3.91Å; L564-L574 HydrophobicContact CD1-CD2 4.04Å; L564-L574 HydrophobicContact CG-CD2 4.39Å
565	L	97.8	Very high	93.5	Very high	122 Å²	122	61.3 Å²	61.3	64%	0.639	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-0.4	175.5	-64.1	170.8	0	0	0	112.7	E561 E562 A563 L574	E561-L565 PolarHBondContact O-N 2.88Å; E562-L565 CarbonylContact O-C 3.54Å; E562-L565 PolarHBondContact O-N 3Å; E562-L565 VanDerWaalsContact O-N 3.08Å; A563-L565 VanDerWaalsContact C-N 3.27Å; A563-L565 PolarHBondContact O-N 3.33Å; L565-L574 HydrophobicContact CD2-CD1 3.77Å
566	H	98.5	Very high	93.3	Very high	14 Å²	14	59.6 Å²	59.6	7%	0.065	32%	0.324	C	S	.	.	S	Bend	trans	-67.1	140.2	-176.3	-159.5	-96.5	0	0	0	111.8	E541 D544 L545 K548 E562 A563 L564 F568 F569	E541-H566 PolarHBondContact O-CE1 3.48Å; D544-H566 IonicContact OD2-CE1 3.8Å; D544-H566 PolarHBondContact OD2-CE1 3.12Å; D544-H566 IonicContact OD2-NE2 2.8Å; D544-H566 PolarHBondContact OD2-NE2 3.07Å; L545-H566 HydrophobicContact CD1-CB 4.17Å; K548-H566 WeakPolarHBondContact CE-NE2 3.19Å; E562-H566 PolarHBondContact O-N 3.35Å; A563-H566 WeakPolarHBondContact O-CB 3.15Å; A563-H566 PolarHBondContact O-N 3.13Å; L564-H566 VanDerWaalsContact C-N 3.33Å; H566-F568 WeakPolarHBondContact ND1-CB 3.06Å; H566-F568 PolarHBondContact ND1-N 3.17Å; H566-F568 PolarHBondContact O-N 3.23Å; H566-F569 HydrophobicContact CB-CD2 4.47Å; H566-F569 PolarHBondContact O-N 3.27Å
567	P	98	Very high	93	Very high	75 Å²	75	58.9 Å²	58.9	49%	0.487	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-53.8	-19.9	176.7	-30.7	37.9	0	0	0	115.5	E541 F569 K570	E541-P567 HydrophobicContact CG-CB 4.04Å; P567-F569 PolarHBondContact O-N 3.47Å; P567-K570 VanDerWaalsContact O-CB 3.29Å; P567-K570 WeakPolarHBondContact O-CB 3.32Å; P567-K570 WeakPolarHBondContact O-CD 3.42Å; P567-K570 VanDerWaalsContact O-CG 3.23Å; P567-K570 WeakPolarHBondContact O-CG 3.39Å; P567-K570 PolarHBondContact O-N 3.08Å
568	F	97.8	Very high	92.7	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.018	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-57.4	-29.8	170.9	-179.4	-117.3	0	0	0	113.6	F151 R155 F404 E541 A542 L545 H566	F151-F568 HydrophobicContact CE1-CE2 4.16Å; F151-F568 AromaticContact CZ-CE2 3.74Å; F151-F568 HydrophobicContact CZ-CE2 3.74Å; F151-F568 HydrophobicContact CZ-CZ 4.25Å; R155-F568 HydrophobicContact CB-CE1 4.46Å; R155-F568 HydrophobicContact CB-CZ 4.34Å; R155-F568 HydrophobicContact CG-CE1 4.04Å; R155-F568 HydrophobicContact CG-CE2 3.84Å; R155-F568 HydrophobicContact CG-CZ 3.5Å; R155-F568 PolarHBondContact NE-O 3.5Å; R155-F568 PolarHBondContact NH2-O 3.05Å; F404-F568 HydrophobicContact CE1-CE1 4.44Å; F404-F568 HydrophobicContact CE2-CE1 4.2Å; F404-F568 AromaticContact CE2-CZ 3.92Å; F404-F568 HydrophobicContact CE2-CZ 3.92Å; F404-F568 HydrophobicContact CZ-CD1 4.45Å; F404-F568 AromaticContact CZ-CE1 3.69Å; F404-F568 HydrophobicContact CZ-CE1 3.69Å; F404-F568 HydrophobicContact CZ-CE2 4.17Å; F404-F568 AromaticContact CZ-CZ 3.51Å; F404-F568 HydrophobicContact CZ-CZ 3.51Å; E541-F568 HydrophobicContact CB-CB 4.12Å; A542-F568 HydrophobicContact CB-CD2 3.8Å; A542-F568 HydrophobicContact CB-CE2 3.47Å; A542-F568 VanDerWaalsContact CB-CE2 3.47Å; A542-F568 HydrophobicContact CB-CZ 4.29Å; L545-F568 HydrophobicContact CB-CB 4.39Å; L545-F568 HydrophobicContact CD2-CB 4Å; L545-F568 HydrophobicContact CD2-CD1 3.34Å; L545-F568 HydrophobicContact CD2-CE1 4.05Å; L545-F568 HydrophobicContact CD2-CG 3.92Å; H566-F568 WeakPolarHBondContact ND1-CB 3.06Å; H566-F568 PolarHBondContact ND1-N 3.17Å; H566-F568 PolarHBondContact O-N 3.23Å
569	F	97.3	Very high	92.3	Very high	9 Å²	9	64.8 Å²	64.8	4%	0.039	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-100.6	21.6	176.3	-56.2	-59.5	0	0	0	112.9	R155 M158 F159 F162 L545 A563 H566 P567 D571 M572	R155-F569 WeakPolarHBondContact O-CE1 3.19Å; M158-F569 HydrophobicContact CB-CE1 4.19Å; M158-F569 HydrophobicContact CB-CZ 3.91Å; F159-F569 HydrophobicContact CB-CD1 3.87Å; F159-F569 HydrophobicContact CB-CE1 3.69Å; F159-F569 HydrophobicContact CB-CZ 4.24Å; F159-F569 HydrophobicContact CD2-CB 3.95Å; F159-F569 AromaticContact CD2-CD1 3.78Å; F159-F569 HydrophobicContact CD2-CD1 3.78Å; F159-F569 HydrophobicContact CD2-CD2 4.05Å; F159-F569 HydrophobicContact CD2-CE1 4.26Å; F159-F569 AromaticContact CD2-CG 3.66Å; F159-F569 HydrophobicContact CD2-CG 3.66Å; F159-F569 HydrophobicContact CE2-CB 4.19Å; F159-F569 HydrophobicContact CE2-CG 4.35Å; F159-F569 HydrophobicContact CG-CD1 4.26Å; F159-F569 HydrophobicContact CG-CE1 4.49Å; F162-F569 AromaticContact CD2-CE2 3.65Å; F162-F569 HydrophobicContact CD2-CE2 3.65Å; F162-F569 AromaticContact CD2-CZ 3.71Å; F162-F569 HydrophobicContact CD2-CZ 3.71Å; F162-F569 AromaticContact CE2-CE2 3.86Å; F162-F569 HydrophobicContact CE2-CE2 3.86Å; F162-F569 AromaticContact CE2-CZ 3.76Å; F162-F569 HydrophobicContact CE2-CZ 3.76Å; L545-F569 HydrophobicContact CD2-CE2 3.84Å; L545-F569 HydrophobicContact CD2-CZ 3.98Å; A563-F569 WeakPolarHBondContact O-CD2 3.46Å; A563-F569 WeakPolarHBondContact O-CE2 3.48Å; H566-F569 HydrophobicContact CB-CD2 4.47Å; H566-F569 PolarHBondContact O-N 3.27Å; P567-F569 PolarHBondContact O-N 3.47Å; F569-D571 PolarHBondContact O-N 3.23Å; F569-M572 HydrophobicContact CB-CB 4.38Å; F569-M572 HydrophobicContact CB-SD 4.32Å; F569-M572 HydrophobicContact CD1-SD 3.73Å; F569-M572 HydrophobicContact CG-SD 4.48Å; F569-M572 WeakPolarHBondContact O-CB 3.44Å; F569-M572 PolarHBondContact O-N 3.08Å
570	K	85.9	Confident	91.9	Very high	106 Å²	106	65 Å²	65	46%	0.461	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	138.7	167	65.9	-167.6	-179.4	-168.5	0	110.4	R155 E541 P567 M572	R155-K570 PolarHBondContact NH2-O 2.91Å; E541-K570 IonicContact OE1-NZ 2.64Å; E541-K570 PolarHBondContact OE1-NZ 2.94Å; P567-K570 VanDerWaalsContact O-CB 3.29Å; P567-K570 WeakPolarHBondContact O-CB 3.32Å; P567-K570 WeakPolarHBondContact O-CD 3.42Å; P567-K570 VanDerWaalsContact O-CG 3.23Å; P567-K570 WeakPolarHBondContact O-CG 3.39Å; P567-K570 PolarHBondContact O-N 3.08Å; K570-M572 PolarHBondContact O-N 3.07Å
571	D	87.8	Confident	91.4	Very high	160 Å²	160	69.5 Å²	69.5	86%	0.856	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	6.7	-176.9	-39.3	-53.5	0	0	0	116	F569	F569-D571 PolarHBondContact O-N 3.23Å
572	M	89.5	Confident	90.9	Very high	42 Å²	42	67.5 Å²	67.5	21%	0.207	36%	0.362	C	S	.	.			trans	-100.1	129.4	171.7	-58.3	-172.9	67.4	0	0	111.3	R155 E156 F159 F569 K570	R155-M572 HydrophobicContact CB-SD 4.18Å; E156-M572 HydrophobicContact CG-CE 4.19Å; F159-M572 HydrophobicContact CB-CE 3.68Å; F159-M572 HydrophobicContact CB-SD 4.3Å; F159-M572 HydrophobicContact CD1-CE 3.62Å; F159-M572 HydrophobicContact CD2-CB 4.45Å; F159-M572 HydrophobicContact CD2-CE 4.32Å; F159-M572 HydrophobicContact CD2-SD 4.47Å; F159-M572 HydrophobicContact CE1-CB 4.4Å; F159-M572 HydrophobicContact CE1-CE 4.26Å; F159-M572 HydrophobicContact CE2-CB 4.14Å; F159-M572 HydrophobicContact CG-CE 3.64Å; F159-M572 HydrophobicContact CG-SD 4.29Å; F159-M572 HydrophobicContact CZ-CB 4.11Å; F569-M572 HydrophobicContact CB-CB 4.38Å; F569-M572 HydrophobicContact CB-SD 4.32Å; F569-M572 HydrophobicContact CD1-SD 3.73Å; F569-M572 HydrophobicContact CG-SD 4.48Å; F569-M572 WeakPolarHBondContact O-CB 3.44Å; F569-M572 PolarHBondContact O-N 3.08Å; K570-M572 PolarHBondContact O-N 3.07Å
573	S	76.1	Confident	90.2	Very high	105 Å²	105	64.5 Å²	64.5	73%	0.734	35%	0.352	S	S	*	.			trans	-81.3	127.8	179.6	46.4	0	0	0	0	113	F159 K163	F159-S573 WeakPolarHBondContact CE1-O 3.48Å; F159-S573 VanDerWaalsContact CZ-O 3.24Å; F159-S573 WeakPolarHBondContact CZ-O 3.2Å; K163-S573 PolarHBondContact NZ-O 2.8Å
574	L	57	Low	89.4	Confident	128 Å²	128	70.4 Å²	70.4	67%	0.67	38%	0.384	S	S	*	.			trans	-60.8	0	173.6	-99.9	165.9	0	0	0	112.4	K163 L564 L565	K163-L574 WeakPolarHBondContact CE-OXT 3.04Å; K163-L574 PolarHBondContact NZ-OXT 3.43Å; L564-L574 HydrophobicContact CB-CD2 3.91Å; L564-L574 HydrophobicContact CD1-CD2 4.04Å; L564-L574 HydrophobicContact CG-CD2 4.39Å; L565-L574 HydrophobicContact CD2-CD1 3.77Å

Retrieved 574 of 574 residues in 185.1 ms (Link to these results)

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