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Nucleotidyltransferase MB21D2

Probable nucleotidyltransferase that catalyzes the formation of cyclic dinucleotide second messenger in response to some unknown stimulus.

AlphaFold DB (F7GLU3), UniProt , Accession A0A096MS86, Species PAPAN (Papio anubis, Olive baboon), Gene MB21D2, Length 491 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	38.2	Very low	34.4	Very low	245 Å²	245	148.3 Å²	148.3	100%	1.207	88%	0.882	S	S	*	*				0	105.9	0	-122.4	166.1	166.2	0	0	107.4
2	K	36.7	Very low	34.3	Very low	211 Å²	211	142.9 Å²	142.9	92%	0.917	87%	0.866	S	S	*	*			trans	-73.8	132.5	173.4	-78.8	176.9	172.6	178.1	0	107.9
3	M	32.5	Very low	34.6	Very low	192 Å²	192	141.1 Å²	141.1	95%	0.946	86%	0.864	S	S	*	*			trans	-125.8	137.2	161.2	-81.5	-150.9	-87.9	0	0	110.1
4	A	33.4	Very low	34.7	Very low	101 Å²	101	142 Å²	142	84%	0.835	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-84.7	156.5	-155.8	0	0	0	0	0	113.9
5	A	33.9	Very low	35.2	Very low	89 Å²	89	137.6 Å²	137.6	74%	0.736	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-69.3	149	167.7	0	0	0	0	0	111.4
6	P	35	Very low	35.2	Very low	130 Å²	130	134.8 Å²	134.8	84%	0.844	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-77.4	137.1	169	6.7	9.7	0	0	0	110.5
7	T	33.6	Very low	35.9	Very low	140 Å²	140	136.6 Å²	136.6	86%	0.859	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-64.9	134.8	179.2	30	0	0	0	0	112.9	S9	T7-S9 PolarHBondContact O-N 2.7Å
8	A	35	Very low	36.6	Very low	103 Å²	103	136.7 Å²	136.7	85%	0.851	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-64.8	119.9	170.6	0	0	0	0	0	111
9	S	30.4	Very low	37.7	Very low	113 Å²	113	139.6 Å²	139.6	79%	0.79	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-77.8	119.3	165.5	61.8	0	0	0	0	109.3	T7 A11	T7-S9 PolarHBondContact O-N 2.7Å; S9-A11 PolarHBondContact O-N 2.63Å
10	K	36.2	Very low	38.7	Very low	209 Å²	209	137.5 Å²	137.5	91%	0.909	83%	0.827	S	S	*	*			trans	-56.4	101.9	166.7	-76.9	175.5	172.4	177.8	0	109.5	A12	K10-A12 PolarHBondContact O-N 3.32Å
11	A	33.7	Very low	40.1	Very low	98 Å²	98	135.6 Å²	135.6	81%	0.81	83%	0.826	S	S	*	*			trans	-73.5	111.1	161.1	0	0	0	0	0	107.2	S9 S13	S9-A11 PolarHBondContact O-N 2.63Å; A11-S13 PolarHBondContact O-N 3.37Å
12	A	32.9	Very low	41.9	Very low	84 Å²	84	132 Å²	132	69%	0.694	80%	0.804	S	S	*	*			trans	-58.2	133	177.3	0	0	0	0	0	110.5	K10 L14	K10-A12 PolarHBondContact O-N 3.32Å; A12-L14 PolarHBondContact O-N 3.22Å
13	S	38.6	Very low	44.1	Very low	119 Å²	119	125 Å²	125	83%	0.832	78%	0.78	S	S	*	*			trans	-60.1	96.8	165.4	54.9	0	0	0	0	109.8	A11 G15	A11-S13 PolarHBondContact O-N 3.37Å; S13-G15 VanDerWaalsContact C-N 3.33Å; S13-G15 PolarHBondContact O-N 3.45Å
14	L	36.3	Very low	47.1	Very low	154 Å²	154	120.2 Å²	120.2	81%	0.806	76%	0.755	S	S	*	*			trans	-80.3	87.5	162.5	-84.7	152.2	0	0	0	107.9	A12 C16	A12-L14 PolarHBondContact O-N 3.22Å; L14-C16 VanDerWaalsContact C-N 3.27Å; L14-C16 PolarHBondContact O-N 3.34Å
15	G	41.4	Very low	50	Low	76 Å²	76	120.1 Å²	120.1	78%	0.784	74%	0.74	S	S	*	*			trans	-67.6	88.4	161	0	0	0	0	0	109.1	S13 N17	S13-G15 VanDerWaalsContact C-N 3.33Å; S13-G15 PolarHBondContact O-N 3.45Å; G15-N17 PolarHBondContact O-N 3.46Å
16	C	36	Very low	53	Low	92 Å²	92	117 Å²	117	62%	0.622	71%	0.711	S	S	*	*			trans	-84.4	83.5	168.1	-81.2	0	0	0	0	109.4	L14 N18	L14-C16 VanDerWaalsContact C-N 3.27Å; L14-C16 PolarHBondContact O-N 3.34Å; C16-N18 PolarHBondContact O-N 3.48Å
17	N	46.1	Very low	55.8	Low	166 Å²	166	120.6 Å²	120.6	89%	0.888	71%	0.714	S	S	*	*			trans	-74.3	56.6	157.4	-94.6	-9.4	0	0	0	110	G15 K19	G15-N17 PolarHBondContact O-N 3.46Å; N17-K19 PolarHBondContact O-N 3.23Å
18	N	48.2	Very low	58.7	Low	139 Å²	139	119.2 Å²	119.2	74%	0.743	69%	0.693	S	S	*	*			trans	-85.3	87.8	167.7	-87.1	-3.9	0	0	0	107.6	C16	C16-N18 PolarHBondContact O-N 3.48Å
19	K	58	Low	61.7	Low	192 Å²	192	115.7 Å²	115.7	84%	0.835	66%	0.662	S	S	*	*			trans	-58.5	128.2	161.4	-77.6	-174.7	174.6	-175.7	0	107.5	N17	N17-K19 PolarHBondContact O-N 3.23Å
20	P	57.2	Low	64.8	Low	97 Å²	97	112.7 Å²	112.7	63%	0.63	65%	0.649	S	S	*	*			trans	-57.9	144	-179.4	21.4	-29.7	0	0	0	110.3	F22	P20-F22 PolarHBondContact O-N 3Å; P20-F22 VanDerWaalsContact O-N 3.08Å
21	A	69	Low	67.7	Low	98 Å²	98	103.5 Å²	103.5	81%	0.81	61%	0.612	S	S	*	*	S	Bend	trans	-66.8	-6.8	179.6	0	0	0	0	0	113.6
22	F	75.4	Confident	70.7	Confident	170 Å²	170	104.5 Å²	104.5	75%	0.746	60%	0.595	S	S	*	*	S	Bend	trans	-122	144.7	179.9	-61.2	-78.6	0	0	0	109.4	P20 E24	P20-F22 PolarHBondContact O-N 3Å; P20-F22 VanDerWaalsContact O-N 3.08Å; F22-E24 PolarHBondContact O-N 2.78Å
23	P	84.1	Confident	73.8	Confident	64 Å²	64	100.7 Å²	100.7	42%	0.416	56%	0.563	S	S	.	*			trans	-60	137.1	177.9	26.2	-33.7	0	0	0	109.9	L25 R32	P23-L25 PolarHBondContact O-N 3.18Å; P23-R32 HydrophobicContact CB-CG 4.29Å
24	E	93.7	Very high	76.5	Confident	90 Å²	90	99.6 Å²	99.6	42%	0.421	54%	0.544	S	S	.	.			trans	-69.9	125.8	175.3	-168.5	-176.7	172.7	0	0	109.5	F22 R32 V33 H356	F22-E24 PolarHBondContact O-N 2.78Å; E24-R32 WeakPolarHBondContact O-CA 3.5Å; E24-V33 HydrophobicContact CB-CB 4.16Å; E24-V33 HydrophobicContact CB-CG2 4.14Å; E24-V33 HydrophobicContact CG-CB 4.27Å; E24-V33 HydrophobicContact CG-CG2 3.79Å; E24-V33 PolarHBondContact O-N 2.71Å; E24-H356 IonicContact OE1-CD2 3.92Å; E24-H356 IonicContact OE1-CE1 3.95Å; E24-H356 PolarHBondContact OE1-CE1 2.88Å; E24-H356 IonicContact OE1-NE2 3.96Å; E24-H356 PolarHBondContact OE1-NE2 3.31Å; E24-H356 IonicContact OE2-CE1 3.89Å; E24-H356 IonicContact OE2-NE2 2.93Å
25	L	95.6	Very high	79.4	Confident	99 Å²	99	94.6 Å²	94.6	52%	0.518	52%	0.517	S	S	.	.	B	Isolated β-bridge	trans	-114.6	138.9	-177.8	-60.2	178.7	0	0	0	110.5	P23 F27 A31 R32	P23-L25 PolarHBondContact O-N 3.18Å; L25-F27 PolarHBondContact O-N 3.09Å; L25-A31 WeakPolarHBondContact CA-O 3.42Å; L25-R32 HydrophobicContact CD2-CB 4.26Å; L25-R32 HydrophobicContact CD2-CG 3.48Å; L25-R32 VanDerWaalsContact CD2-CG 3.48Å
26	D	96.2	Very high	82.1	Confident	23 Å²	23	91 Å²	91	12%	0.123	48%	0.48	C	S	.	.			trans	-69.7	122.6	162	171.2	47.4	0	0	0	109.1	R28 S29 G30 A31 L359 R404	D26-R28 PolarHBondContact O-N 3.12Å; D26-S29 WeakPolarHBondContact OD2-CB 3.37Å; D26-S29 PolarHBondContact OD2-N 3.42Å; D26-S29 PolarHBondContact OD2-OG 2.61Å; D26-G30 VanDerWaalsContact O-CA 3.26Å; D26-G30 WeakPolarHBondContact O-CA 3.32Å; D26-G30 PolarHBondContact O-N 3.1Å; D26-A31 PolarHBondContact N-O 2.76Å; D26-L359 HydrophobicContact CB-CD1 3.77Å; D26-R404 IonicContact OD1-NH1 3.07Å; D26-R404 IonicContact OD2-NH1 2.84Å; D26-R404 PolarHBondContact OD2-NH1 3.27Å
27	F	94.5	Very high	85	Confident	207 Å²	207	87.4 Å²	87.4	91%	0.908	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-34.9	-177.2	-177	-95.1	0	0	0	112.8	L25	L25-F27 PolarHBondContact O-N 3.09Å
28	R	94.8	Very high	87.5	Confident	111 Å²	111	86.4 Å²	86.4	42%	0.419	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-41.2	-172.4	-175.1	170.1	178.8	-171.6	0.1	113.1	D26 D363 R404	D26-R28 PolarHBondContact O-N 3.12Å; R28-D363 IonicContact NH1-OD1 3.53Å; R28-D363 PolarHBondContact NH1-OD1 2.71Å; R28-R404 VanDerWaalsContact CZ-CB 3.45Å
29	S	96.6	Very high	89.9	Confident	29 Å²	29	80.5 Å²	80.5	20%	0.203	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-19.8	-178.8	59.1	0	0	0	0	114.3	D26 A31 R404 S405	D26-S29 WeakPolarHBondContact OD2-CB 3.37Å; D26-S29 PolarHBondContact OD2-N 3.42Å; D26-S29 PolarHBondContact OD2-OG 2.61Å; S29-A31 PolarHBondContact O-N 3Å; S29-A31 VanDerWaalsContact OG-CB 3.29Å; S29-A31 WeakPolarHBondContact OG-CB 3.44Å; S29-A31 PolarHBondContact OG-N 2.95Å; S29-R404 WeakPolarHBondContact CB-O 3.23Å; S29-S405 WeakPolarHBondContact CB-O 3.48Å
30	G	96.5	Very high	91.8	Very high	49 Å²	49	71.4 Å²	71.4	51%	0.505	37%	0.371	S	S	.	.			trans	71	6.3	-167.7	0	0	0	0	0	113.8	D26	D26-G30 VanDerWaalsContact O-CA 3.26Å; D26-G30 WeakPolarHBondContact O-CA 3.32Å; D26-G30 PolarHBondContact O-N 3.1Å
31	A	97	Very high	93.6	Very high	16 Å²	16	71.2 Å²	71.2	13%	0.132	36%	0.362	C	S	.	.			trans	-70.7	142.5	178.6	0	0	0	0	0	111.3	L25 D26 S29 V33 L36 P407	L25-A31 WeakPolarHBondContact CA-O 3.42Å; D26-A31 PolarHBondContact N-O 2.76Å; S29-A31 PolarHBondContact O-N 3Å; S29-A31 VanDerWaalsContact OG-CB 3.29Å; S29-A31 WeakPolarHBondContact OG-CB 3.44Å; S29-A31 PolarHBondContact OG-N 2.95Å; A31-V33 PolarHBondContact O-N 3.28Å; A31-L36 HydrophobicContact CB-CD1 4Å; A31-L36 HydrophobicContact CB-CD2 4.16Å; A31-L36 HydrophobicContact CB-CG 4.13Å; A31-P407 HydrophobicContact CB-CG 4.25Å
32	R	96.7	Very high	94.9	Very high	120 Å²	120	70 Å²	70	45%	0.453	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-72.4	126.2	171.8	-67.8	178.2	-62.8	179.1	-0.2	109.9	P23 E24 L25 E34 E35 L36	P23-R32 HydrophobicContact CB-CG 4.29Å; E24-R32 WeakPolarHBondContact O-CA 3.5Å; L25-R32 HydrophobicContact CD2-CB 4.26Å; L25-R32 HydrophobicContact CD2-CG 3.48Å; L25-R32 VanDerWaalsContact CD2-CG 3.48Å; R32-E34 PolarHBondContact O-N 3.26Å; R32-E35 HydrophobicContact CB-CB 4.01Å; R32-E35 IonicContact CZ-OE2 3.14Å; R32-E35 IonicContact NE-OE2 2.83Å; R32-E35 PolarHBondContact NE-OE2 2.87Å; R32-E35 IonicContact NH2-OE2 2.78Å; R32-E35 PolarHBondContact NH2-OE2 2.61Å; R32-E35 WeakPolarHBondContact O-CB 3.5Å; R32-E35 PolarHBondContact O-N 3.18Å; R32-L36 PolarHBondContact O-N 2.68Å; R32-L36 VanDerWaalsContact O-N 3.1Å
33	V	96.9	Very high	95.9	Very high	4 Å²	4	62 Å²	62	2%	0.024	30%	0.304	C	S	.	.	H	α-helix	trans	-56.7	-40.3	178.2	173.5	0	0	0	0	110.9	E24 A31 E35 L36 N37 A355 H356	E24-V33 HydrophobicContact CB-CB 4.16Å; E24-V33 HydrophobicContact CB-CG2 4.14Å; E24-V33 HydrophobicContact CG-CB 4.27Å; E24-V33 HydrophobicContact CG-CG2 3.79Å; E24-V33 PolarHBondContact O-N 2.71Å; A31-V33 PolarHBondContact O-N 3.28Å; V33-E35 VanDerWaalsContact C-N 3.3Å; V33-E35 PolarHBondContact O-N 2.86Å; V33-L36 PolarHBondContact O-N 3.45Å; V33-N37 PolarHBondContact O-N 2.92Å; V33-N37 PolarHBondContact O-ND2 2.79Å; V33-A355 HydrophobicContact CG1-CB 3.91Å; V33-H356 VanDerWaalsContact CG1-CE1 3.42Å; V33-H356 WeakPolarHBondContact CG1-CE1 3.36Å
34	E	95.9	Very high	96.4	Very high	95 Å²	95	59.5 Å²	59.5	44%	0.444	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-34.5	177.4	-60.2	134.5	178.3	0	0	113	R32 K38	R32-E34 PolarHBondContact O-N 3.26Å; E34-K38 WeakPolarHBondContact O-CG 3.45Å; E34-K38 PolarHBondContact O-N 2.86Å
35	E	97.2	Very high	96.3	Very high	50 Å²	50	62.4 Å²	62.4	23%	0.234	30%	0.299	C	S	.	.	H	α-helix	trans	-71.2	-44.1	176.7	-180	173.9	170	0	0	110.9	R32 V33 N37 K38 L39 R412	R32-E35 HydrophobicContact CB-CB 4.01Å; R32-E35 IonicContact CZ-OE2 3.14Å; R32-E35 IonicContact NE-OE2 2.83Å; R32-E35 PolarHBondContact NE-OE2 2.87Å; R32-E35 IonicContact NH2-OE2 2.78Å; R32-E35 PolarHBondContact NH2-OE2 2.61Å; R32-E35 WeakPolarHBondContact O-CB 3.5Å; R32-E35 PolarHBondContact O-N 3.18Å; V33-E35 VanDerWaalsContact C-N 3.3Å; V33-E35 PolarHBondContact O-N 2.86Å; E35-N37 VanDerWaalsContact C-N 3.34Å; E35-N37 PolarHBondContact O-N 3.41Å; E35-K38 WeakPolarHBondContact O-CB 3.38Å; E35-K38 PolarHBondContact O-N 2.95Å; E35-L39 HydrophobicContact CG-CD1 4.31Å; E35-L39 WeakPolarHBondContact O-CG 3.48Å; E35-L39 PolarHBondContact O-N 3.06Å; E35-R412 IonicContact OE1-CZ 3.95Å; E35-R412 IonicContact OE1-NH2 2.72Å; E35-R412 PolarHBondContact OE1-NH2 3.14Å
36	L	98.2	Very high	95.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-44.5	175.8	-63.4	-179.8	0	0	0	111.4	A31 R32 V33 K38 L39 I40 A355 L359 P407 A408 L411	A31-L36 HydrophobicContact CB-CD1 4Å; A31-L36 HydrophobicContact CB-CD2 4.16Å; A31-L36 HydrophobicContact CB-CG 4.13Å; R32-L36 PolarHBondContact O-N 2.68Å; R32-L36 VanDerWaalsContact O-N 3.1Å; V33-L36 PolarHBondContact O-N 3.45Å; L36-K38 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 3.46Å; L36-L39 PolarHBondContact O-N 3.45Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.37Å; L36-I40 PolarHBondContact O-N 3.26Å; L36-A355 HydrophobicContact CB-CB 3.66Å; L36-A355 HydrophobicContact CD1-CB 4.41Å; L36-L359 HydrophobicContact CD1-CD1 4.11Å; L36-L359 HydrophobicContact CD1-CD2 4.27Å; L36-L359 HydrophobicContact CD1-CG 4.4Å; L36-P407 HydrophobicContact CD1-CG 4.12Å; L36-P407 HydrophobicContact CD2-CB 4.18Å; L36-P407 HydrophobicContact CD2-CG 4.04Å; L36-A408 HydrophobicContact CD2-CB 3.85Å; L36-L411 HydrophobicContact CD2-CD1 3.91Å
37	N	97.9	Very high	95.4	Very high	17 Å²	17	60.8 Å²	60.8	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-42.4	175.3	-83.2	-38.8	0	0	0	112.3	V33 E35 I40 Q41 D352 A354 A355	V33-N37 PolarHBondContact O-N 2.92Å; V33-N37 PolarHBondContact O-ND2 2.79Å; E35-N37 VanDerWaalsContact C-N 3.34Å; E35-N37 PolarHBondContact O-N 3.41Å; N37-I40 PolarHBondContact O-N 3.21Å; N37-Q41 VanDerWaalsContact O-CG 3.3Å; N37-Q41 WeakPolarHBondContact O-CG 3.45Å; N37-Q41 PolarHBondContact O-N 3.14Å; N37-D352 PolarHBondContact ND2-O 2.91Å; N37-D352 PolarHBondContact OD1-O 2.9Å; N37-A354 PolarHBondContact OD1-N 3.01Å; N37-A355 WeakPolarHBondContact OD1-CB 3.46Å; N37-A355 PolarHBondContact OD1-N 3.36Å
38	K	97.5	Very high	94.4	Very high	145 Å²	145	55.1 Å²	55.1	63%	0.63	27%	0.265	S	S	*	.	H	α-helix	trans	-63	-43.7	176.1	-74.8	171.9	-176.4	176.4	0	112.2	E34 E35 L36 Q41 E42	E34-K38 WeakPolarHBondContact O-CG 3.45Å; E34-K38 PolarHBondContact O-N 2.86Å; E35-K38 WeakPolarHBondContact O-CB 3.38Å; E35-K38 PolarHBondContact O-N 2.95Å; L36-K38 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 3.46Å; K38-Q41 PolarHBondContact O-N 3.27Å; K38-E42 PolarHBondContact O-N 3.37Å
39	L	98.4	Very high	93.1	Very high	15 Å²	15	51.5 Å²	51.5	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-41.4	177.5	-71	171.7	0	0	0	111.4	E35 L36 E42 F43 A408 L411 R412 I415	E35-L39 HydrophobicContact CG-CD1 4.31Å; E35-L39 WeakPolarHBondContact O-CG 3.48Å; E35-L39 PolarHBondContact O-N 3.06Å; L36-L39 PolarHBondContact O-N 3.45Å; L39-E42 PolarHBondContact O-N 3.31Å; L39-F43 WeakPolarHBondContact O-CB 3.49Å; L39-F43 PolarHBondContact O-N 3.39Å; L39-A408 HydrophobicContact CD1-CB 3.94Å; L39-L411 HydrophobicContact CB-CB 4.05Å; L39-L411 HydrophobicContact CB-CD1 3.92Å; L39-L411 HydrophobicContact CD1-CB 4.16Å; L39-L411 HydrophobicContact CD1-CD1 4.33Å; L39-R412 HydrophobicContact CD1-CG 4.28Å; L39-R412 HydrophobicContact CD2-CG 3.78Å; L39-I415 HydrophobicContact CB-CD1 4.32Å; L39-I415 HydrophobicContact CD2-CD1 3.91Å; L39-I415 WeakPolarHBondContact O-CD1 3.34Å
40	I	97.9	Very high	91.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.1	-44.8	175	-66.9	164.2	0	0	0	110.4	L36 N37 E42 F43 T44 Q308 A312 A354 A355 L358 L411	L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.37Å; L36-I40 PolarHBondContact O-N 3.26Å; N37-I40 PolarHBondContact O-N 3.21Å; I40-E42 PolarHBondContact O-N 2.97Å; I40-F43 WeakPolarHBondContact O-CB 2.86Å; I40-F43 PolarHBondContact O-N 3.41Å; I40-T44 WeakPolarHBondContact O-CB 3.48Å; I40-T44 PolarHBondContact O-N 2.85Å; I40-T44 PolarHBondContact O-OG1 2.96Å; I40-Q308 HydrophobicContact CG2-CB 3.85Å; I40-A312 HydrophobicContact CG1-CB 4.36Å; I40-A354 HydrophobicContact CD1-CB 4.1Å; I40-A354 HydrophobicContact CG2-CB 4.08Å; I40-A355 HydrophobicContact CD1-CB 4.45Å; I40-L358 HydrophobicContact CD1-CB 4.07Å; I40-L358 HydrophobicContact CD1-CD2 3.8Å; I40-L358 HydrophobicContact CG1-CD2 4.11Å; I40-L411 HydrophobicContact CG1-CD1 4.04Å; I40-L411 HydrophobicContact CG1-CD2 3.99Å
41	Q	96.1	Very high	90.1	Very high	94 Å²	94	57.7 Å²	57.7	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-62.6	-40.1	176.1	-72.4	174.4	5.1	0	0	112.7	N37 K38 T44 K45	N37-Q41 VanDerWaalsContact O-CG 3.3Å; N37-Q41 WeakPolarHBondContact O-CG 3.45Å; N37-Q41 PolarHBondContact O-N 3.14Å; K38-Q41 PolarHBondContact O-N 3.27Å; Q41-T44 PolarHBondContact O-N 3.18Å; Q41-K45 WeakPolarHBondContact O-CG 3.39Å; Q41-K45 PolarHBondContact O-N 2.97Å
42	E	96.4	Very high	89.1	Confident	71 Å²	71	61.3 Å²	61.3	33%	0.332	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-46.2	173.7	-178.1	-179.4	167.1	0	0	111.2	K38 L39 I40 T44 K45 H46 I415 K419	K38-E42 PolarHBondContact O-N 3.37Å; L39-E42 PolarHBondContact O-N 3.31Å; I40-E42 PolarHBondContact O-N 2.97Å; E42-T44 VanDerWaalsContact C-N 3.35Å; E42-T44 PolarHBondContact O-N 3.4Å; E42-K45 PolarHBondContact O-N 3.38Å; E42-H46 PolarHBondContact O-CD2 3.07Å; E42-H46 VanDerWaalsContact O-CD2 3.28Å; E42-H46 PolarHBondContact O-N 3.48Å; E42-I415 HydrophobicContact CB-CD1 4.14Å; E42-I415 HydrophobicContact CG-CD1 4.13Å; E42-I415 HydrophobicContact CG-CG2 4.21Å; E42-I415 WeakPolarHBondContact OE1-CG2 3.26Å; E42-K419 WeakPolarHBondContact OE1-CE 3.41Å; E42-K419 IonicContact OE1-NZ 2.91Å; E42-K419 PolarHBondContact OE1-NZ 3.22Å
43	F	96.4	Very high	88.1	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-55.6	-51	174.3	173.1	-91.2	0	0	0	110.9	L39 I40 K45 H46 D47 Q311 A312 A315 A414 I415 V418	L39-F43 WeakPolarHBondContact O-CB 3.49Å; L39-F43 PolarHBondContact O-N 3.39Å; I40-F43 WeakPolarHBondContact O-CB 2.86Å; I40-F43 PolarHBondContact O-N 3.41Å; F43-K45 VanDerWaalsContact C-N 3.32Å; F43-K45 PolarHBondContact O-N 3.27Å; F43-H46 PolarHBondContact O-N 2.74Å; F43-H46 VanDerWaalsContact O-N 3.08Å; F43-D47 HydrophobicContact CD1-CB 4.47Å; F43-D47 HydrophobicContact CE1-CB 3.96Å; F43-D47 HydrophobicContact CZ-CB 4.04Å; F43-D47 WeakPolarHBondContact O-CB 3.35Å; F43-D47 PolarHBondContact O-N 3.12Å; F43-Q311 HydrophobicContact CE1-CB 3.97Å; F43-A312 HydrophobicContact CD1-CB 4.02Å; F43-A312 HydrophobicContact CE1-CB 4.3Å; F43-A315 HydrophobicContact CE2-CB 3.62Å; F43-A315 HydrophobicContact CZ-CB 3.52Å; F43-A414 HydrophobicContact CD2-CB 4.19Å; F43-A414 HydrophobicContact CE2-CB 4.19Å; F43-I415 HydrophobicContact CB-CD1 4.38Å; F43-I415 HydrophobicContact CB-CG1 3.73Å; F43-I415 HydrophobicContact CD2-CG1 4.27Å; F43-V418 HydrophobicContact CD2-CG2 4.2Å; F43-V418 HydrophobicContact CE2-CG2 3.56Å; F43-V418 HydrophobicContact CZ-CG2 4.27Å
44	T	93.2	Very high	87.4	Confident	13 Å²	13	63.6 Å²	63.6	8%	0.08	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-42.5	179.4	-63.1	0	0	0	0	111.8	I40 Q41 E42 H46 D47 Q48 Q308	I40-T44 WeakPolarHBondContact O-CB 3.48Å; I40-T44 PolarHBondContact O-N 2.85Å; I40-T44 PolarHBondContact O-OG1 2.96Å; Q41-T44 PolarHBondContact O-N 3.18Å; E42-T44 VanDerWaalsContact C-N 3.35Å; E42-T44 PolarHBondContact O-N 3.4Å; T44-H46 VanDerWaalsContact C-N 3.27Å; T44-H46 PolarHBondContact O-N 2.93Å; T44-D47 PolarHBondContact O-N 3.47Å; T44-Q48 HydrophobicContact CG2-CG 3.86Å; T44-Q48 VanDerWaalsContact CG2-NE2 3.31Å; T44-Q48 WeakPolarHBondContact O-CB 3.45Å; T44-Q48 WeakPolarHBondContact O-CG 3.33Å; T44-Q48 PolarHBondContact O-N 2.89Å; T44-Q308 HydrophobicContact CG2-CG 3.93Å; T44-Q308 WeakPolarHBondContact OG1-CG 3.31Å
45	K	91.6	Very high	86.7	Confident	150 Å²	150	61.6 Å²	61.6	65%	0.652	29%	0.286	S	S	*	.	H	α-helix	trans	-60.7	-35.5	177.3	-75.2	171	-178.2	177.1	0	113.1	Q41 E42 F43	Q41-K45 WeakPolarHBondContact O-CG 3.39Å; Q41-K45 PolarHBondContact O-N 2.97Å; E42-K45 PolarHBondContact O-N 3.38Å; F43-K45 VanDerWaalsContact C-N 3.32Å; F43-K45 PolarHBondContact O-N 3.27Å
46	H	88.8	Confident	86	Confident	63 Å²	63	59.8 Å²	59.8	29%	0.292	28%	0.28	S	S	.	.	H	α-helix	trans	-83.8	-31.2	179.1	-74.2	-60.1	0	0	0	113	E42 F43 T44 V418 K419 N422	E42-H46 PolarHBondContact O-CD2 3.07Å; E42-H46 VanDerWaalsContact O-CD2 3.28Å; E42-H46 PolarHBondContact O-N 3.48Å; F43-H46 PolarHBondContact O-N 2.74Å; F43-H46 VanDerWaalsContact O-N 3.08Å; T44-H46 VanDerWaalsContact C-N 3.27Å; T44-H46 PolarHBondContact O-N 2.93Å; H46-V418 VanDerWaalsContact C-CG1 3.45Å; H46-V418 HydrophobicContact CB-CB 4.45Å; H46-V418 HydrophobicContact CB-CG1 3.77Å; H46-V418 VanDerWaalsContact O-CG1 3.29Å; H46-V418 WeakPolarHBondContact O-CG1 3.36Å; H46-K419 WeakPolarHBondContact NE2-CE 3.27Å; H46-N422 PolarHBondContact O-ND2 3.28Å
47	D	84.6	Confident	85.3	Confident	26 Å²	26	61.3 Å²	61.3	14%	0.139	29%	0.288	C	S	.	.	H	α-helix	trans	-80.5	-34.6	179.7	-169.3	40.7	0	0	0	112.2	F43 T44 R49 R110 V418	F43-D47 HydrophobicContact CD1-CB 4.47Å; F43-D47 HydrophobicContact CE1-CB 3.96Å; F43-D47 HydrophobicContact CZ-CB 4.04Å; F43-D47 WeakPolarHBondContact O-CB 3.35Å; F43-D47 PolarHBondContact O-N 3.12Å; T44-D47 PolarHBondContact O-N 3.47Å; D47-R49 PolarHBondContact O-N 3.02Å; D47-R110 PolarHBondContact O-NH2 3.12Å; D47-R110 IonicContact OD1-CZ 3.01Å; D47-R110 IonicContact OD1-NH1 2.76Å; D47-R110 PolarHBondContact OD1-NH1 3.13Å; D47-V418 HydrophobicContact CB-CG1 4.23Å
48	Q	74.7	Confident	84.8	Confident	87 Å²	87	61 Å²	61	41%	0.407	29%	0.286	S	S	.	.	S	Bend	trans	-54.4	128.4	175.6	-85	179.7	-6.4	0	0	110.6	T44	T44-Q48 HydrophobicContact CG2-CG 3.86Å; T44-Q48 VanDerWaalsContact CG2-NE2 3.31Å; T44-Q48 WeakPolarHBondContact O-CB 3.45Å; T44-Q48 WeakPolarHBondContact O-CG 3.33Å; T44-Q48 PolarHBondContact O-N 2.89Å
49	R	67.3	Low	84.4	Confident	36 Å²	36	54.2 Å²	54.2	14%	0.136	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-82.4	117.9	175.6	-63	172.4	-174.8	-178.1	1.1	107.2	D47 Y51 D117	D47-R49 PolarHBondContact O-N 3.02Å; R49-Y51 HydrophobicContact CB-CD2 4.17Å; R49-Y51 HydrophobicContact CB-CE1 4.47Å; R49-Y51 HydrophobicContact CB-CE2 3.51Å; R49-Y51 VanDerWaalsContact CD-OH 3.31Å; R49-Y51 WeakPolarHBondContact CD-OH 3.28Å; R49-Y51 WeakPolarHBondContact O-CD2 3.45Å; R49-Y51 WeakPolarHBondContact O-CE2 3.48Å; R49-Y51 PolarHBondContact O-N 2.76Å; R49-D117 IonicContact CZ-OD1 3.25Å; R49-D117 IonicContact NH1-OD1 3.5Å; R49-D117 IonicContact NH2-OD1 3.2Å; R49-D117 PolarHBondContact NH2-OD1 3.11Å
50	E	62.8	Low	83.8	Confident	168 Å²	168	53.9 Å²	53.9	79%	0.785	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-66	123.9	163.7	-71.9	-173.4	165.1	0	0	108.1	R55	E50-R55 WeakPolarHBondContact O-CD 3.48Å; E50-R55 PolarHBondContact O-NH1 2.86Å
51	Y	67.2	Low	83.4	Confident	40 Å²	40	55.8 Å²	55.8	16%	0.157	27%	0.267	C	S	.	.			trans	-107.7	88	174.3	-68.2	-82.4	0	0	0	107.4	R49 R55 I59 M116 I474 N475 P476	R49-Y51 HydrophobicContact CB-CD2 4.17Å; R49-Y51 HydrophobicContact CB-CE1 4.47Å; R49-Y51 HydrophobicContact CB-CE2 3.51Å; R49-Y51 VanDerWaalsContact CD-OH 3.31Å; R49-Y51 WeakPolarHBondContact CD-OH 3.28Å; R49-Y51 WeakPolarHBondContact O-CD2 3.45Å; R49-Y51 WeakPolarHBondContact O-CE2 3.48Å; R49-Y51 PolarHBondContact O-N 2.76Å; Y51-R55 HydrophobicContact CD1-CG 4.31Å; Y51-I59 HydrophobicContact CD1-CD1 3.84Å; Y51-I59 HydrophobicContact CE1-CD1 3.68Å; Y51-M116 HydrophobicContact CD1-CE 4.42Å; Y51-M116 HydrophobicContact CE1-CE 3.38Å; Y51-I474 HydrophobicContact CD1-CG2 3.07Å; Y51-I474 HydrophobicContact CD2-CG2 4.18Å; Y51-I474 HydrophobicContact CE1-CG2 3.32Å; Y51-I474 VanDerWaalsContact CE1-O 3.29Å; Y51-I474 WeakPolarHBondContact CE1-O 3.35Å; Y51-I474 HydrophobicContact CE2-CG2 4.43Å; Y51-I474 WeakPolarHBondContact CE2-O 3.48Å; Y51-I474 HydrophobicContact CG-CG2 3.52Å; Y51-I474 PolarHBondContact OH-O 3.08Å; Y51-N475 HydrophobicContact CD2-CB 4.06Å; Y51-N475 HydrophobicContact CE2-CB 3.91Å; Y51-P476 WeakPolarHBondContact OH-CD 3.4Å
52	D	74.8	Confident	83.2	Confident	92 Å²	92	51.3 Å²	51.3	49%	0.492	25%	0.246	S	C	.	.			trans	-73.9	166.3	165.8	61.3	21.8	0	0	0	110.4	Q54 R55 A56	D52-Q54 PolarHBondContact O-N 3.01Å; D52-Q54 PolarHBondContact OD1-N 2.67Å; D52-R55 PolarHBondContact O-N 3.39Å; D52-R55 WeakPolarHBondContact OD1-CB 3.27Å; D52-R55 PolarHBondContact OD1-N 2.93Å; D52-A56 PolarHBondContact O-N 3.25Å
53	D	76.8	Confident	82.9	Confident	87 Å²	87	49.2 Å²	49.2	47%	0.465	24%	0.235	S	C	.	.	H	α-helix	trans	-58.7	-32.1	-178.6	-70.6	-21.7	0	0	0	112	L57 L454 L458	D53-L57 PolarHBondContact O-N 2.92Å; D53-L454 HydrophobicContact CB-CD2 3.78Å; D53-L454 HydrophobicContact CB-CG 4.39Å; D53-L458 HydrophobicContact CB-CD1 3.95Å
54	Q	81.6	Confident	82.6	Confident	84 Å²	84	51.7 Å²	51.7	39%	0.393	25%	0.249	S	C	.	.	H	α-helix	trans	-66.7	-48.2	177.4	179.3	56.9	37.5	0	0	111.3	D52 A56 L57 E58	D52-Q54 PolarHBondContact O-N 3.01Å; D52-Q54 PolarHBondContact OD1-N 2.67Å; Q54-A56 VanDerWaalsContact C-N 3.33Å; Q54-A56 PolarHBondContact O-N 2.61Å; Q54-L57 WeakPolarHBondContact O-CB 3.33Å; Q54-L57 PolarHBondContact O-N 3.12Å; Q54-E58 PolarHBondContact NE2-OE1 3.33Å; Q54-E58 WeakPolarHBondContact O-CG 3.41Å; Q54-E58 PolarHBondContact O-N 3.29Å
55	R	81.5	Confident	82.6	Confident	53 Å²	53	51.8 Å²	51.8	20%	0.2	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-38.2	177.1	-173.3	174.7	-71.4	-177.9	-5.5	111.2	E50 Y51 D52 L57 E58 I59 M116	E50-R55 WeakPolarHBondContact O-CD 3.48Å; E50-R55 PolarHBondContact O-NH1 2.86Å; Y51-R55 HydrophobicContact CD1-CG 4.31Å; D52-R55 PolarHBondContact O-N 3.39Å; D52-R55 WeakPolarHBondContact OD1-CB 3.27Å; D52-R55 PolarHBondContact OD1-N 2.93Å; R55-L57 VanDerWaalsContact C-N 3.32Å; R55-L57 PolarHBondContact O-N 2.66Å; R55-E58 PolarHBondContact O-N 2.99Å; R55-I59 HydrophobicContact CG-CD1 4.12Å; R55-I59 WeakPolarHBondContact O-CD1 3.32Å; R55-I59 WeakPolarHBondContact O-CG1 3.45Å; R55-I59 PolarHBondContact O-N 3.18Å; R55-M116 HydrophobicContact CG-SD 4.04Å
56	A	82.3	Confident	82.8	Confident	13 Å²	13	44.7 Å²	44.7	11%	0.107	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-42.5	173.5	0	0	0	0	0	112	D52 Q54 I59 H60 I474	D52-A56 PolarHBondContact O-N 3.25Å; Q54-A56 VanDerWaalsContact C-N 3.33Å; Q54-A56 PolarHBondContact O-N 2.61Å; A56-I59 PolarHBondContact O-N 2.8Å; A56-H60 PolarHBondContact O-N 3.06Å; A56-I474 HydrophobicContact CB-CD1 4.03Å
57	L	82.8	Confident	82.9	Confident	31 Å²	31	43.4 Å²	43.4	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-42	175.1	-178.3	65.7	0	0	0	112.4	D53 Q54 R55 I59 H60 T61 L454 L458 L461	D53-L57 PolarHBondContact O-N 2.92Å; Q54-L57 WeakPolarHBondContact O-CB 3.33Å; Q54-L57 PolarHBondContact O-N 3.12Å; R55-L57 VanDerWaalsContact C-N 3.32Å; R55-L57 PolarHBondContact O-N 2.66Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-I59 PolarHBondContact O-N 2.83Å; L57-H60 PolarHBondContact O-N 3.09Å; L57-T61 WeakPolarHBondContact O-CB 3.04Å; L57-T61 PolarHBondContact O-N 3.18Å; L57-T61 PolarHBondContact O-OG1 3.41Å; L57-L454 HydrophobicContact CD2-CD1 3.56Å; L57-L458 HydrophobicContact CB-CD2 4.2Å; L57-L458 HydrophobicContact CD1-CD2 4.17Å; L57-L461 HydrophobicContact CD1-CD1 3.68Å
58	E	88.6	Confident	83.2	Confident	10 Å²	10	45.6 Å²	45.6	5%	0.047	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-42.5	177.2	-70.8	174.6	168.2	0	0	111	Q54 R55 T61 A62 V226 S228 S229 M231	Q54-E58 PolarHBondContact NE2-OE1 3.33Å; Q54-E58 WeakPolarHBondContact O-CG 3.41Å; Q54-E58 PolarHBondContact O-N 3.29Å; R55-E58 PolarHBondContact O-N 2.99Å; E58-T61 PolarHBondContact O-N 2.93Å; E58-A62 PolarHBondContact O-N 2.87Å; E58-V226 HydrophobicContact CB-CB 4.33Å; E58-V226 HydrophobicContact CB-CG1 3.98Å; E58-V226 VanDerWaalsContact CD-O 3.28Å; E58-V226 HydrophobicContact CG-CG1 4.13Å; E58-S228 PolarHBondContact OE1-N 3.01Å; E58-S228 VanDerWaalsContact OE1-N 3.12Å; E58-S229 WeakPolarHBondContact OE2-CB 3.21Å; E58-S229 PolarHBondContact OE2-OG 2.92Å; E58-M231 HydrophobicContact CB-CE 3.76Å
59	I	87.8	Confident	84.2	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-44.3	177.7	-66.6	159.9	0	0	0	110.3	Y51 R55 A56 L57 T61 A62 K63 M116 F118 M231 I474	Y51-I59 HydrophobicContact CD1-CD1 3.84Å; Y51-I59 HydrophobicContact CE1-CD1 3.68Å; R55-I59 HydrophobicContact CG-CD1 4.12Å; R55-I59 WeakPolarHBondContact O-CD1 3.32Å; R55-I59 WeakPolarHBondContact O-CG1 3.45Å; R55-I59 PolarHBondContact O-N 3.18Å; A56-I59 PolarHBondContact O-N 2.8Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-I59 PolarHBondContact O-N 2.83Å; I59-T61 VanDerWaalsContact C-N 3.31Å; I59-T61 PolarHBondContact O-N 3.33Å; I59-A62 PolarHBondContact O-N 3.17Å; I59-K63 WeakPolarHBondContact O-CB 3.5Å; I59-K63 PolarHBondContact O-N 3.44Å; I59-M116 HydrophobicContact CD1-CE 3.45Å; I59-M116 VanDerWaalsContact CD1-CE 3.45Å; I59-M116 HydrophobicContact CD1-SD 3.69Å; I59-M116 HydrophobicContact CG1-CE 3.9Å; I59-M116 HydrophobicContact CG1-SD 3.65Å; I59-F118 HydrophobicContact CG1-CZ 4.32Å; I59-F118 HydrophobicContact CG2-CE1 4.46Å; I59-F118 HydrophobicContact CG2-CZ 3.9Å; I59-M231 HydrophobicContact CB-CE 4.32Å; I59-M231 HydrophobicContact CG1-CE 3.71Å; I59-M231 HydrophobicContact CG1-SD 4.18Å; I59-I474 HydrophobicContact CD1-CG2 3.88Å
60	H	86.8	Confident	85.5	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-45.9	177.1	-171.1	-80.7	0	0	0	111.3	A56 L57 A62 K63 D64 F484	A56-H60 PolarHBondContact O-N 3.06Å; L57-H60 PolarHBondContact O-N 3.09Å; H60-A62 PolarHBondContact O-N 3.1Å; H60-K63 PolarHBondContact NE2-NZ 2.93Å; H60-K63 PolarHBondContact O-N 2.97Å; H60-D64 VanDerWaalsContact CE1-CG 3.49Å; H60-D64 IonicContact CE1-OD1 3.58Å; H60-D64 IonicContact CE1-OD2 2.69Å; H60-D64 PolarHBondContact CE1-OD2 3.01Å; H60-D64 IonicContact ND1-OD1 2.7Å; H60-D64 IonicContact ND1-OD2 3.31Å; H60-D64 PolarHBondContact ND1-OD2 3.07Å; H60-D64 IonicContact NE2-OD1 3.81Å; H60-D64 IonicContact NE2-OD2 3.18Å; H60-D64 PolarHBondContact O-N 3.34Å; H60-F484 HydrophobicContact CB-CZ 4.28Å; H60-F484 AromaticContact CD2-CE1 3.96Å; H60-F484 AromaticContact CD2-CZ 3.76Å
61	T	89.1	Confident	86.9	Confident	41 Å²	41	33 Å²	33	25%	0.252	18%	0.178	S	C	.	.	H	α-helix	trans	-62.4	-42.3	179.5	-55.3	0	0	0	0	111.7	L57 E58 I59 F65 P208 V226	L57-T61 WeakPolarHBondContact O-CB 3.04Å; L57-T61 PolarHBondContact O-N 3.18Å; L57-T61 PolarHBondContact O-OG1 3.41Å; E58-T61 PolarHBondContact O-N 2.93Å; I59-T61 VanDerWaalsContact C-N 3.31Å; I59-T61 PolarHBondContact O-N 3.33Å; T61-F65 WeakPolarHBondContact O-CB 3.47Å; T61-F65 PolarHBondContact O-N 3.43Å; T61-F65 VanDerWaalsContact O-N 3.11Å; T61-P208 HydrophobicContact CG2-CG 4Å; T61-V226 HydrophobicContact CG2-CG1 3.99Å
62	A	92.4	Very high	88.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-44.9	175.9	0	0	0	0	0	112.4	E58 I59 H60 F65 I66 L224 V226 M231 Y233	E58-A62 PolarHBondContact O-N 2.87Å; I59-A62 PolarHBondContact O-N 3.17Å; H60-A62 PolarHBondContact O-N 3.1Å; A62-F65 WeakPolarHBondContact O-CB 3.12Å; A62-F65 PolarHBondContact O-N 3.25Å; A62-I66 WeakPolarHBondContact O-CG1 3.24Å; A62-I66 PolarHBondContact O-N 3.09Å; A62-L224 HydrophobicContact CB-CD1 4.13Å; A62-V226 HydrophobicContact CB-CG2 3.89Å; A62-M231 HydrophobicContact CB-SD 3.37Å; A62-M231 WeakPolarHBondContact CB-SD 3.23Å; A62-Y233 HydrophobicContact CB-CE2 3.99Å; A62-Y233 WeakPolarHBondContact CB-OH 3.35Å
63	K	90.4	Very high	89.2	Confident	26 Å²	26	29.8 Å²	29.8	11%	0.113	16%	0.162	C	C	.	.	H	α-helix	trans	-58.4	-49.5	176.8	178.9	-152.9	68	170.7	0	111.4	I59 H60 F65 I66 F67 L88 Y233 V472	I59-K63 WeakPolarHBondContact O-CB 3.5Å; I59-K63 PolarHBondContact O-N 3.44Å; H60-K63 PolarHBondContact NE2-NZ 2.93Å; H60-K63 PolarHBondContact O-N 2.97Å; K63-F65 VanDerWaalsContact C-N 3.3Å; K63-F65 PolarHBondContact O-N 2.88Å; K63-I66 PolarHBondContact O-N 3.22Å; K63-F67 HydrophobicContact CD-CE2 4.22Å; K63-F67 HydrophobicContact CG-CD2 4.38Å; K63-F67 HydrophobicContact CG-CE1 4.43Å; K63-F67 HydrophobicContact CG-CE2 4.03Å; K63-F67 HydrophobicContact CG-CZ 4.07Å; K63-F67 PolarHBondContact O-N 2.69Å; K63-L88 HydrophobicContact CD-CD2 4.47Å; K63-L88 HydrophobicContact CG-CD2 3.95Å; K63-Y233 PolarHBondContact N-OH 3.26Å; K63-V472 HydrophobicContact CD-CG2 4.05Å
64	D	88.8	Confident	90	Very high	54 Å²	54	27.1 Å²	27.1	29%	0.289	15%	0.147	S	C	.	.	H	α-helix	trans	-62.8	-38.8	-179.7	-73.4	-4.6	0	0	0	111.9	H60 F67 S68	H60-D64 VanDerWaalsContact CE1-CG 3.49Å; H60-D64 IonicContact CE1-OD1 3.58Å; H60-D64 IonicContact CE1-OD2 2.69Å; H60-D64 PolarHBondContact CE1-OD2 3.01Å; H60-D64 IonicContact ND1-OD1 2.7Å; H60-D64 IonicContact ND1-OD2 3.31Å; H60-D64 PolarHBondContact ND1-OD2 3.07Å; H60-D64 IonicContact NE2-OD1 3.81Å; H60-D64 IonicContact NE2-OD2 3.18Å; H60-D64 PolarHBondContact O-N 3.34Å; D64-F67 PolarHBondContact O-N 2.81Å; D64-S68 VanDerWaalsContact O-CB 3.26Å; D64-S68 WeakPolarHBondContact O-CB 3.16Å; D64-S68 PolarHBondContact O-N 2.9Å
65	F	93.8	Very high	90.7	Very high	16 Å²	16	30.6 Å²	30.6	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-47	173.9	176.5	-93.3	0	0	0	112	T61 A62 K63 F67 S68 M69 L196 I199 M207 P208 V210 L224	T61-F65 WeakPolarHBondContact O-CB 3.47Å; T61-F65 PolarHBondContact O-N 3.43Å; T61-F65 VanDerWaalsContact O-N 3.11Å; A62-F65 WeakPolarHBondContact O-CB 3.12Å; A62-F65 PolarHBondContact O-N 3.25Å; K63-F65 VanDerWaalsContact C-N 3.3Å; K63-F65 PolarHBondContact O-N 2.88Å; F65-F67 PolarHBondContact O-N 2.79Å; F65-S68 PolarHBondContact O-N 2.91Å; F65-M69 WeakPolarHBondContact O-CB 3.01Å; F65-M69 PolarHBondContact O-N 3.39Å; F65-L196 HydrophobicContact CE1-CD2 4.11Å; F65-L196 HydrophobicContact CZ-CD2 4Å; F65-I199 HydrophobicContact CE2-CD1 4.34Å; F65-I199 HydrophobicContact CE2-CG2 4.01Å; F65-I199 HydrophobicContact CZ-CD1 4.28Å; F65-I199 HydrophobicContact CZ-CG2 4.31Å; F65-M207 HydrophobicContact CD2-CG 3.66Å; F65-M207 HydrophobicContact CD2-SD 4.32Å; F65-M207 HydrophobicContact CE2-CE 4.34Å; F65-M207 HydrophobicContact CE2-CG 3.63Å; F65-M207 HydrophobicContact CE2-SD 3.87Å; F65-P208 HydrophobicContact CB-CB 4.3Å; F65-P208 HydrophobicContact CB-CG 3.62Å; F65-P208 HydrophobicContact CD1-CB 4.26Å; F65-P208 HydrophobicContact CD1-CG 4.49Å; F65-P208 HydrophobicContact CD2-CB 4.29Å; F65-P208 HydrophobicContact CD2-CG 4.16Å; F65-P208 HydrophobicContact CG-CB 4.02Å; F65-P208 HydrophobicContact CG-CG 3.84Å; F65-V210 HydrophobicContact CE1-CG2 3.75Å; F65-V210 HydrophobicContact CZ-CG2 3.6Å; F65-L224 HydrophobicContact CD1-CD1 3.83Å; F65-L224 HydrophobicContact CD1-CD2 4.04Å; F65-L224 HydrophobicContact CE1-CD1 4.43Å; F65-L224 HydrophobicContact CE1-CD2 3.81Å
66	I	95.3	Very high	91.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-43	177.8	-68.1	-75.3	0	0	0	110.9	A62 K63 M69 L70 L120 I222 L224 Y233 I235	A62-I66 WeakPolarHBondContact O-CG1 3.24Å; A62-I66 PolarHBondContact O-N 3.09Å; K63-I66 PolarHBondContact O-N 3.22Å; I66-M69 HydrophobicContact CD1-CE 4.43Å; I66-M69 WeakPolarHBondContact O-CB 3.37Å; I66-M69 PolarHBondContact O-N 3.38Å; I66-L70 HydrophobicContact CG2-CD1 4.23Å; I66-L70 WeakPolarHBondContact O-CG 3.36Å; I66-L70 PolarHBondContact O-N 2.76Å; I66-L120 HydrophobicContact CG2-CD2 3.48Å; I66-L120 VanDerWaalsContact CG2-CD2 3.48Å; I66-I222 HydrophobicContact CD1-CD1 4.13Å; I66-L224 HydrophobicContact CD1-CD1 3.93Å; I66-L224 HydrophobicContact CG1-CD1 3.78Å; I66-Y233 HydrophobicContact CD1-CD2 4.49Å; I66-Y233 HydrophobicContact CD1-CG 4.33Å; I66-Y233 HydrophobicContact CG1-CD1 4.25Å; I66-Y233 HydrophobicContact CG1-CD2 4.27Å; I66-Y233 HydrophobicContact CG1-CE1 4.32Å; I66-Y233 HydrophobicContact CG1-CE2 4.35Å; I66-Y233 HydrophobicContact CG1-CG 4.22Å; I66-I235 HydrophobicContact CD1-CD1 4.12Å; I66-I235 HydrophobicContact CG2-CD1 4.27Å
67	F	92.1	Very high	91.9	Very high	36 Å²	36	34.6 Å²	34.6	16%	0.158	18%	0.184	C	C	.	.	H	α-helix	trans	-69.6	-37.4	-180	-71.9	4.4	0	0	0	112.5	K63 D64 F65 L70 G71 Y86 L120 S469	K63-F67 HydrophobicContact CD-CE2 4.22Å; K63-F67 HydrophobicContact CG-CD2 4.38Å; K63-F67 HydrophobicContact CG-CE1 4.43Å; K63-F67 HydrophobicContact CG-CE2 4.03Å; K63-F67 HydrophobicContact CG-CZ 4.07Å; K63-F67 PolarHBondContact O-N 2.69Å; D64-F67 PolarHBondContact O-N 2.81Å; F65-F67 PolarHBondContact O-N 2.79Å; F67-L70 HydrophobicContact CD1-CD1 4.49Å; F67-L70 PolarHBondContact O-N 2.83Å; F67-G71 PolarHBondContact O-N 2.96Å; F67-Y86 AromaticContact CD1-CD2 3.93Å; F67-Y86 HydrophobicContact CD1-CD2 3.93Å; F67-Y86 HydrophobicContact CD1-CE2 4.28Å; F67-Y86 AromaticContact CE1-CD2 3.82Å; F67-Y86 HydrophobicContact CE1-CD2 3.82Å; F67-Y86 HydrophobicContact CE1-CG 4.41Å; F67-Y86 HydrophobicContact CE2-CD2 4.41Å; F67-Y86 HydrophobicContact CG-CD2 4.28Å; F67-Y86 HydrophobicContact CG-CE2 4.46Å; F67-Y86 HydrophobicContact CZ-CD2 4.07Å; F67-L120 HydrophobicContact CE1-CD1 3.99Å; F67-L120 HydrophobicContact CE1-CD2 4.08Å; F67-S469 VanDerWaalsContact CE2-OG 3.27Å; F67-S469 WeakPolarHBondContact CE2-OG 3.43Å
68	S	90.8	Very high	92.4	Very high	71 Å²	71	39.2 Å²	39.2	50%	0.497	20%	0.204	S	C	.	.	H	α-helix	trans	-62.3	-43.9	172.1	-177	0	0	0	0	111.4	D64 F65 L70 G71 M72	D64-S68 VanDerWaalsContact O-CB 3.26Å; D64-S68 WeakPolarHBondContact O-CB 3.16Å; D64-S68 PolarHBondContact O-N 2.9Å; F65-S68 PolarHBondContact O-N 2.91Å; S68-L70 PolarHBondContact O-N 2.9Å; S68-G71 PolarHBondContact O-N 3.42Å; S68-M72 PolarHBondContact O-N 3.26Å
69	M	94.9	Very high	92.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.5	-48.5	173.9	179.5	-76	-70	0	0	111.3	F65 I66 G71 M72 V73 I192 V195 L196 I199 I222 I235	F65-M69 WeakPolarHBondContact O-CB 3.01Å; F65-M69 PolarHBondContact O-N 3.39Å; I66-M69 HydrophobicContact CD1-CE 4.43Å; I66-M69 WeakPolarHBondContact O-CB 3.37Å; I66-M69 PolarHBondContact O-N 3.38Å; M69-G71 VanDerWaalsContact C-N 3.29Å; M69-G71 PolarHBondContact O-N 3.34Å; M69-M72 WeakPolarHBondContact O-CA 3.08Å; M69-M72 WeakPolarHBondContact O-CB 3.21Å; M69-M72 PolarHBondContact O-N 2.98Å; M69-V73 PolarHBondContact O-N 3.18Å; M69-V73 HydrophobicContact SD-CG2 3.63Å; M69-I192 HydrophobicContact CE-CD1 4.29Å; M69-I192 HydrophobicContact CE-CG1 4.11Å; M69-I192 HydrophobicContact CE-CG2 4.29Å; M69-I192 HydrophobicContact SD-CB 4.37Å; M69-I192 HydrophobicContact SD-CG1 3.85Å; M69-I192 HydrophobicContact SD-CG2 4.18Å; M69-V195 HydrophobicContact CG-CG1 3.83Å; M69-L196 HydrophobicContact CG-CD2 3.73Å; M69-L196 HydrophobicContact CG-CG 4.26Å; M69-I199 HydrophobicContact CB-CD1 4.41Å; M69-I199 HydrophobicContact CG-CD1 4.44Å; M69-I222 HydrophobicContact CE-CD1 4.29Å; M69-I235 HydrophobicContact CE-CD1 4.05Å
70	L	94.7	Very high	92.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-34.6	176.9	-67.5	174.6	0	0	0	112.5	I66 F67 S68 M72 V73 Q74 Y86 L120 V122 F188	I66-L70 HydrophobicContact CG2-CD1 4.23Å; I66-L70 WeakPolarHBondContact O-CG 3.36Å; I66-L70 PolarHBondContact O-N 2.76Å; F67-L70 HydrophobicContact CD1-CD1 4.49Å; F67-L70 PolarHBondContact O-N 2.83Å; S68-L70 PolarHBondContact O-N 2.9Å; L70-M72 VanDerWaalsContact C-N 3.29Å; L70-M72 PolarHBondContact O-N 3.15Å; L70-V73 PolarHBondContact O-N 3.14Å; L70-Q74 WeakPolarHBondContact O-CB 3.48Å; L70-Q74 PolarHBondContact O-N 2.86Å; L70-Y86 HydrophobicContact CB-CE2 4.47Å; L70-Y86 HydrophobicContact CD1-CD1 4.43Å; L70-Y86 HydrophobicContact CD1-CD2 4.42Å; L70-Y86 HydrophobicContact CD1-CE1 4.02Å; L70-Y86 HydrophobicContact CD1-CE2 4Å; L70-L120 HydrophobicContact CD1-CD2 3.79Å; L70-V122 HydrophobicContact CD1-CG2 3.93Å; L70-V122 HydrophobicContact CD2-CG1 4.39Å; L70-V122 HydrophobicContact CD2-CG2 4.4Å; L70-F188 HydrophobicContact CD2-CE2 3.8Å; L70-F188 HydrophobicContact CD2-CZ 3.56Å
71	G	91.5	Very high	93	Very high	27 Å²	27	41 Å²	41	28%	0.278	22%	0.215	S	C	.	.	H	α-helix	trans	-63.8	-32.5	171.6	0	0	0	0	0	113.2	F67 S68 M69 K75	F67-G71 PolarHBondContact O-N 2.96Å; S68-G71 PolarHBondContact O-N 3.42Å; M69-G71 VanDerWaalsContact C-N 3.29Å; M69-G71 PolarHBondContact O-N 3.34Å; G71-K75 WeakPolarHBondContact O-CG 3.2Å; G71-K75 PolarHBondContact O-N 2.91Å
72	M	94.6	Very high	92.6	Very high	64 Å²	64	45.2 Å²	45.2	32%	0.315	24%	0.241	S	C	.	.	H	α-helix	trans	-75.5	-38.7	171.5	-73.2	-178.3	-76	0	0	112.1	S68 M69 L70 Q74 K75 L76 V195 I199	S68-M72 PolarHBondContact O-N 3.26Å; M69-M72 WeakPolarHBondContact O-CA 3.08Å; M69-M72 WeakPolarHBondContact O-CB 3.21Å; M69-M72 PolarHBondContact O-N 2.98Å; L70-M72 VanDerWaalsContact C-N 3.29Å; L70-M72 PolarHBondContact O-N 3.15Å; M72-Q74 VanDerWaalsContact C-N 3.29Å; M72-Q74 PolarHBondContact O-N 2.85Å; M72-K75 WeakPolarHBondContact O-CB 3.42Å; M72-K75 PolarHBondContact O-N 3.04Å; M72-L76 PolarHBondContact O-N 3.37Å; M72-L76 VanDerWaalsContact O-N 3.14Å; M72-V195 HydrophobicContact CB-CG1 3.63Å; M72-V195 HydrophobicContact CB-CG2 4.03Å; M72-V195 HydrophobicContact CE-CG1 3.95Å; M72-V195 HydrophobicContact SD-CG1 4.28Å; M72-I199 HydrophobicContact CE-CD1 3.34Å; M72-I199 HydrophobicContact CE-CG1 3.65Å; M72-I199 HydrophobicContact SD-CG1 4.28Å
73	V	96.4	Very high	92.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-44.6	173.1	170.2	0	0	0	0	110.3	M69 L70 K75 L76 L80 F188 I192 V195	M69-V73 PolarHBondContact O-N 3.18Å; M69-V73 HydrophobicContact SD-CG2 3.63Å; L70-V73 PolarHBondContact O-N 3.14Å; V73-K75 PolarHBondContact O-N 2.7Å; V73-L76 WeakPolarHBondContact O-CB 3.44Å; V73-L76 PolarHBondContact O-N 2.89Å; V73-L76 VanDerWaalsContact O-N 3.15Å; V73-L80 HydrophobicContact CB-CD1 4.34Å; V73-L80 HydrophobicContact CG1-CD1 3.83Å; V73-L80 HydrophobicContact CG1-CG 4.39Å; V73-F188 HydrophobicContact CG1-CD2 4.26Å; V73-F188 HydrophobicContact CG1-CE2 4.12Å; V73-I192 HydrophobicContact CG2-CG1 4.08Å; V73-V195 HydrophobicContact CB-CG2 4.4Å; V73-V195 HydrophobicContact CG2-CB 4.17Å; V73-V195 HydrophobicContact CG2-CG2 3.63Å
74	Q	94.5	Very high	91.7	Very high	32 Å²	32	48 Å²	48	15%	0.15	27%	0.265	C	S	.	.	H	α-helix	trans	-57.3	-36.5	174.9	-174.7	-78	-35.7	0	0	112.3	L70 M72 Q78 L80	L70-Q74 WeakPolarHBondContact O-CB 3.48Å; L70-Q74 PolarHBondContact O-N 2.86Å; M72-Q74 VanDerWaalsContact C-N 3.29Å; M72-Q74 PolarHBondContact O-N 2.85Å; Q74-Q78 WeakPolarHBondContact O-CA 3.32Å; Q74-Q78 PolarHBondContact O-N 3.02Å; Q74-L80 HydrophobicContact CB-CB 4.08Å; Q74-L80 HydrophobicContact CG-CB 4.1Å
75	K	94.7	Very high	91.5	Very high	157 Å²	157	48.5 Å²	48.5	68%	0.683	27%	0.266	S	S	*	.	H	α-helix	trans	-77.2	-19.9	-179.8	-71.1	171	-175	176.2	0	114	G71 M72 V73	G71-K75 WeakPolarHBondContact O-CG 3.2Å; G71-K75 PolarHBondContact O-N 2.91Å; M72-K75 WeakPolarHBondContact O-CB 3.42Å; M72-K75 PolarHBondContact O-N 3.04Å; V73-K75 PolarHBondContact O-N 2.7Å
76	L	95.5	Very high	91.2	Very high	88 Å²	88	49.3 Å²	49.3	46%	0.461	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-49.7	-178	-76.1	-177.1	0	0	0	112.1	M72 V73 I194 V195	M72-L76 PolarHBondContact O-N 3.37Å; M72-L76 VanDerWaalsContact O-N 3.14Å; V73-L76 WeakPolarHBondContact O-CB 3.44Å; V73-L76 PolarHBondContact O-N 2.89Å; V73-L76 VanDerWaalsContact O-N 3.15Å; L76-I194 HydrophobicContact CD1-CB 4.28Å; L76-I194 HydrophobicContact CD1-CG2 4.04Å; L76-I194 HydrophobicContact CD2-CG2 4.38Å; L76-V195 HydrophobicContact CD1-CG2 3.44Å; L76-V195 VanDerWaalsContact CD1-CG2 3.44Å; L76-V195 HydrophobicContact CD2-CG2 4.5Å; L76-V195 HydrophobicContact CG-CG2 3.91Å
77	D	93.6	Very high	90.9	Very high	61 Å²	61	49.5 Å²	49.5	33%	0.326	27%	0.269	S	S	.	.	H	α-helix	trans	-140.5	2.9	-173.7	69.5	3.9	0	0	0	114.2	K79 W187	D77-K79 PolarHBondContact O-N 3.03Å; D77-K79 WeakPolarHBondContact OD1-CB 3.49Å; D77-K79 PolarHBondContact OD1-N 3.47Å; D77-W187 PolarHBondContact OD2-NE1 2.89Å
78	Q	93.7	Very high	90.9	Very high	128 Å²	128	48.3 Å²	48.3	60%	0.598	27%	0.265	S	S	*	.	S	Bend	trans	59.5	24.1	178	-50.7	177.4	10.7	0	0	114.3	Q74 K160	Q74-Q78 WeakPolarHBondContact O-CA 3.32Å; Q74-Q78 PolarHBondContact O-N 3.02Å; Q78-K160 WeakPolarHBondContact O-CE 3.37Å; Q78-K160 PolarHBondContact O-NZ 3.29Å
79	K	94.9	Very high	90.8	Very high	26 Å²	26	45.6 Å²	45.6	11%	0.113	25%	0.245	C	C	.	.			trans	-72	-46.3	173.9	-74.4	-162	-163.4	171.8	0	112.9	D77 K160 W161 W187	D77-K79 PolarHBondContact O-N 3.03Å; D77-K79 WeakPolarHBondContact OD1-CB 3.49Å; D77-K79 PolarHBondContact OD1-N 3.47Å; K79-K160 VanDerWaalsContact CE-O 3.29Å; K79-K160 WeakPolarHBondContact CE-O 3.4Å; K79-K160 HydrophobicContact CG-CD 4.42Å; K79-K160 HydrophobicContact CG-CG 3.84Å; K79-W161 HydrophobicContact CB-CH2 3.9Å; K79-W161 HydrophobicContact CB-CZ2 3.79Å; K79-W161 HydrophobicContact CD-CD2 4.31Å; K79-W161 HydrophobicContact CD-CE3 3.96Å; K79-W161 HydrophobicContact CD-CH2 4.11Å; K79-W161 HydrophobicContact CD-CZ2 4.42Å; K79-W161 HydrophobicContact CD-CZ3 3.87Å; K79-W161 HydrophobicContact CG-CZ2 4.49Å; K79-W161 WeakPolarHBondContact O-CZ2 3.33Å; K79-W187 HydrophobicContact CB-CH2 3.77Å; K79-W187 HydrophobicContact CB-CZ2 3.47Å; K79-W187 VanDerWaalsContact CB-CZ2 3.47Å; K79-W187 HydrophobicContact CD-CD2 4.02Å; K79-W187 HydrophobicContact CD-CG 4.4Å; K79-W187 HydrophobicContact CD-CZ2 3.87Å; K79-W187 HydrophobicContact CG-CZ2 4.1Å; K79-W187 VanDerWaalsContact NZ-CD1 3.28Å
80	L	92.9	Very high	90.4	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	25%	0.252	C	S	.	.	S	Bend	trans	-63.9	146.6	175.8	-64.8	-175.4	0	0	0	111.5	V73 Q74 V82 V122 W187 F188	V73-L80 HydrophobicContact CB-CD1 4.34Å; V73-L80 HydrophobicContact CG1-CD1 3.83Å; V73-L80 HydrophobicContact CG1-CG 4.39Å; Q74-L80 HydrophobicContact CB-CB 4.08Å; Q74-L80 HydrophobicContact CG-CB 4.1Å; L80-V82 PolarHBondContact O-N 2.99Å; L80-V122 HydrophobicContact CD1-CG1 4.4Å; L80-V122 HydrophobicContact CD2-CG1 4.28Å; L80-W187 HydrophobicContact CD2-CH2 3.78Å; L80-W187 HydrophobicContact CD2-CZ3 4.14Å; L80-W187 HydrophobicContact CG-CH2 3.92Å; L80-F188 HydrophobicContact CD1-CE2 4.21Å
81	P	87.6	Confident	90.1	Very high	30 Å²	30	47 Å²	47	20%	0.195	26%	0.256	C	S	.	.			trans	-53.9	137.4	169.9	-24.9	32.9	0	0	0	112.3	N84 P123 K126	P81-N84 HydrophobicContact CB-CB 4.3Å; P81-P123 VanDerWaalsContact CD-O 3.23Å; P81-P123 WeakPolarHBondContact CD-O 3.45Å; P81-K126 HydrophobicContact CG-CB 4.17Å
82	V	82.4	Confident	90	Very high	129 Å²	129	45.8 Å²	45.8	78%	0.782	24%	0.243	S	C	*	.	S	Bend	trans	-62.2	-46.5	176.3	179.6	0	0	0	0	110.8	L80	L80-V82 PolarHBondContact O-N 2.99Å
83	A	82.1	Confident	89.8	Confident	61 Å²	61	42.7 Å²	42.7	50%	0.504	23%	0.228	S	C	.	.	S	Bend	trans	-102.7	94.2	171.5	0	0	0	0	0	108.5
84	N	80.2	Confident	89.5	Confident	22 Å²	22	44.3 Å²	44.3	12%	0.118	23%	0.234	C	C	.	.			trans	-102	140.4	-178	-149.3	-18.2	0	0	0	111.6	P81 Y86 P123	P81-N84 HydrophobicContact CB-CB 4.3Å; N84-Y86 HydrophobicContact CB-CD1 4.29Å; N84-Y86 HydrophobicContact CB-CE1 3.58Å; N84-Y86 WeakPolarHBondContact ND2-CE1 3.41Å; N84-P123 PolarHBondContact ND2-O 2.93Å; N84-P123 WeakPolarHBondContact OD1-CB 3.39Å; N84-P123 WeakPolarHBondContact OD1-CD 3.27Å; N84-P123 VanDerWaalsContact OD1-CG 3.24Å; N84-P123 WeakPolarHBondContact OD1-CG 3.28Å
85	E	84.8	Confident	89.2	Confident	66 Å²	66	45.5 Å²	45.5	31%	0.308	24%	0.239	S	C	.	.			trans	-108.8	94.5	178.2	-76.5	170.8	-157	0	0	108.7	P123 K126 H128 R293	E85-P123 WeakPolarHBondContact O-CG 3.39Å; E85-K126 VanDerWaalsContact CD-NZ 3.27Å; E85-K126 IonicContact OE1-NZ 3.74Å; E85-K126 PolarHBondContact OE1-NZ 2.9Å; E85-K126 IonicContact OE2-NZ 2.79Å; E85-H128 IonicContact OE2-CE1 3.61Å; E85-H128 IonicContact OE2-ND1 2.73Å; E85-R293 IonicContact OE2-NH2 3.59Å
86	Y	88.6	Confident	89	Confident	32 Å²	32	38.1 Å²	38.1	13%	0.125	21%	0.207	C	C	.	.			trans	-78.4	141.7	178.2	-51	-49	0	0	0	111.3	F67 L70 N84 L120 V122	F67-Y86 AromaticContact CD1-CD2 3.93Å; F67-Y86 HydrophobicContact CD1-CD2 3.93Å; F67-Y86 HydrophobicContact CD1-CE2 4.28Å; F67-Y86 AromaticContact CE1-CD2 3.82Å; F67-Y86 HydrophobicContact CE1-CD2 3.82Å; F67-Y86 HydrophobicContact CE1-CG 4.41Å; F67-Y86 HydrophobicContact CE2-CD2 4.41Å; F67-Y86 HydrophobicContact CG-CD2 4.28Å; F67-Y86 HydrophobicContact CG-CE2 4.46Å; F67-Y86 HydrophobicContact CZ-CD2 4.07Å; L70-Y86 HydrophobicContact CB-CE2 4.47Å; L70-Y86 HydrophobicContact CD1-CD1 4.43Å; L70-Y86 HydrophobicContact CD1-CD2 4.42Å; L70-Y86 HydrophobicContact CD1-CE1 4.02Å; L70-Y86 HydrophobicContact CD1-CE2 4Å; N84-Y86 HydrophobicContact CB-CD1 4.29Å; N84-Y86 HydrophobicContact CB-CE1 3.58Å; N84-Y86 WeakPolarHBondContact ND2-CE1 3.41Å; Y86-L120 HydrophobicContact CG-CD1 4.49Å; Y86-V122 HydrophobicContact CD1-CB 4.44Å; Y86-V122 HydrophobicContact CD1-CG1 4.2Å; Y86-V122 HydrophobicContact CD1-CG2 4.3Å; Y86-V122 HydrophobicContact CE1-CG1 3.79Å
87	L	88.8	Confident	88.8	Confident	5 Å²	5	34.6 Å²	34.6	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	106.8	167.7	-179.2	63.3	0	0	0	108.7	L89 L121 Y272 A292 I470	L87-L89 HydrophobicContact CD1-CD2 4.02Å; L87-L89 HydrophobicContact CD2-CD2 4.04Å; L87-L89 HydrophobicContact CD2-CG 4.43Å; L87-L89 HydrophobicContact CG-CD2 3.81Å; L87-L89 HydrophobicContact CG-CG 4.12Å; L87-L121 HydrophobicContact CB-CB 4.24Å; L87-L121 HydrophobicContact CD2-CD1 4.11Å; L87-L121 PolarHBondContact N-O 3.37Å; L87-L121 PolarHBondContact O-N 3.31Å; L87-Y272 HydrophobicContact CD2-CE2 3.8Å; L87-A292 HydrophobicContact CD2-CB 3.95Å; L87-I470 HydrophobicContact CD1-CG2 3.91Å
88	L	91.6	Very high	88.7	Confident	11 Å²	11	31.8 Å²	31.8	6%	0.058	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118	174.8	-177.7	62.5	0	0	0	109.7	K63 F118 L120 Y233 V472	K63-L88 HydrophobicContact CD-CD2 4.47Å; K63-L88 HydrophobicContact CG-CD2 3.95Å; L88-F118 HydrophobicContact CD1-CB 3.81Å; L88-F118 HydrophobicContact CD1-CD1 4.42Å; L88-F118 HydrophobicContact CD1-CG 4.36Å; L88-L120 HydrophobicContact CB-CD1 3.94Å; L88-L120 HydrophobicContact CD1-CB 4.15Å; L88-L120 HydrophobicContact CD1-CD1 4.04Å; L88-Y233 HydrophobicContact CD1-CD1 4.24Å; L88-Y233 HydrophobicContact CD1-CE1 3.9Å; L88-V472 HydrophobicContact CD2-CG1 4.33Å; L88-V472 HydrophobicContact CD2-CG2 3.78Å
89	L	88.8	Confident	88.7	Confident	15 Å²	15	26.7 Å²	26.7	8%	0.079	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.2	-179.6	-57.1	173.9	0	0	0	109.7	L87 V97 V98 F118 T119 A292 V296	L87-L89 HydrophobicContact CD1-CD2 4.02Å; L87-L89 HydrophobicContact CD2-CD2 4.04Å; L87-L89 HydrophobicContact CD2-CG 4.43Å; L87-L89 HydrophobicContact CG-CD2 3.81Å; L87-L89 HydrophobicContact CG-CG 4.12Å; L89-V97 HydrophobicContact CD1-CG2 4.46Å; L89-V98 HydrophobicContact CD1-CG2 3.5Å; L89-V98 VanDerWaalsContact CD1-CG2 3.5Å; L89-F118 VanDerWaalsContact O-CA 3.26Å; L89-F118 WeakPolarHBondContact O-CA 3.34Å; L89-T119 PolarHBondContact N-O 3.26Å; L89-T119 PolarHBondContact O-N 2.85Å; L89-A292 HydrophobicContact CD1-CB 4.35Å; L89-V296 HydrophobicContact CD2-CG2 3.39Å
90	S	87.4	Confident	88.6	Confident	23 Å²	23	25.8 Å²	25.8	16%	0.161	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	128.6	168.8	-176.6	0	0	0	0	109.8
91	G	88.2	Confident	88.2	Confident	7 Å²	7	28.8 Å²	28.8	7%	0.072	16%	0.164	C	C	.	.	S	Bend	trans	100.6	142.6	-169	0	0	0	0	0	112.6	V97 D117 F118 T119	G91-V97 WeakPolarHBondContact O-CG2 3.45Å; G91-D117 CarbonylContact C-O 3.51Å; G91-D117 WeakPolarHBondContact CA-O 3.24Å; G91-D117 PolarHBondContact N-O 3.39Å; G91-F118 CarbonylContact O-C 3.52Å; G91-F118 VanDerWaalsContact O-C 3.32Å; G91-F118 WeakPolarHBondContact O-CA 3.29Å; G91-T119 PolarHBondContact O-N 2.81Å; G91-T119 PolarHBondContact O-OG1 3.38Å
92	G	88.4	Confident	88	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.159	C	C	.	.			trans	-82.1	168.4	176.1	0	0	0	0	0	112.2	R94 E95 V97 D117 T119	G92-R94 PolarHBondContact O-N 2.98Å; G92-R94 VanDerWaalsContact O-N 3.11Å; G92-E95 WeakPolarHBondContact O-CB 3.19Å; G92-E95 PolarHBondContact O-N 3.3Å; G92-V97 WeakPolarHBondContact O-CG2 3.41Å; G92-D117 WeakPolarHBondContact CA-OD2 3.45Å; G92-D117 PolarHBondContact N-OD2 3.24Å; G92-T119 VanDerWaalsContact C-OG1 3.23Å; G92-T119 WeakPolarHBondContact CA-OG1 3.49Å
93	V	91.3	Very high	87.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-59.5	-28.6	178.8	-58.1	0	0	0	0	111.7	E95 G96 L100 L102 L105 T119 I219 D234 V236	V93-E95 PolarHBondContact O-N 3.43Å; V93-G96 PolarHBondContact O-N 3.08Å; V93-L100 HydrophobicContact CB-CD1 4.22Å; V93-L100 HydrophobicContact CG1-CD1 3.6Å; V93-L102 HydrophobicContact CB-CD2 4.47Å; V93-L102 HydrophobicContact CG2-CD2 4.28Å; V93-L102 WeakPolarHBondContact O-CD2 3.39Å; V93-L105 HydrophobicContact CG2-CD1 3.4Å; V93-L105 VanDerWaalsContact CG2-CD1 3.4Å; V93-L105 HydrophobicContact CG2-CD2 4.42Å; V93-T119 HydrophobicContact CG1-CG2 3.68Å; V93-T119 PolarHBondContact N-OG1 3.4Å; V93-T119 VanDerWaalsContact N-OG1 3.12Å; V93-I219 HydrophobicContact CG1-CD1 4.48Å; V93-I219 HydrophobicContact CG2-CD1 4.17Å; V93-D234 HydrophobicContact CG1-CB 3.74Å; V93-D234 HydrophobicContact CG2-CB 4.31Å; V93-D234 WeakPolarHBondContact CG2-OD2 3.38Å; V93-D234 PolarHBondContact N-OD2 2.73Å; V93-V236 HydrophobicContact CG1-CG2 4.4Å
94	R	89.4	Confident	87.7	Confident	34 Å²	34	30.3 Å²	30.3	13%	0.128	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-63.6	-22.4	176.7	-65.4	168.8	-177.7	72.7	1.1	112.9	G92 G96 L105 N106 D234 P329	G92-R94 PolarHBondContact O-N 2.98Å; G92-R94 VanDerWaalsContact O-N 3.11Å; R94-G96 VanDerWaalsContact C-N 3.33Å; R94-L105 HydrophobicContact CG-CD1 3.99Å; R94-N106 PolarHBondContact NE-O 3.2Å; R94-N106 VanDerWaalsContact NE-O 3.09Å; R94-N106 PolarHBondContact NH2-O 3.39Å; R94-D234 IonicContact NH1-OD1 2.87Å; R94-D234 PolarHBondContact NH1-OD1 3.28Å; R94-D234 IonicContact NH1-OD2 2.83Å; R94-D234 PolarHBondContact NH1-OD2 3.03Å; R94-D234 VanDerWaalsContact NH1-OD2 3.09Å; R94-P329 VanDerWaalsContact O-CG 3.23Å; R94-P329 WeakPolarHBondContact O-CG 3.42Å
95	E	88.8	Confident	88	Confident	56 Å²	56	30.4 Å²	30.4	26%	0.262	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-90.5	3.6	176.6	-61.7	-61.2	134.9	0	0	112.8	G92 V93 V97 K314 P329	G92-E95 WeakPolarHBondContact O-CB 3.19Å; G92-E95 PolarHBondContact O-N 3.3Å; V93-E95 PolarHBondContact O-N 3.43Å; E95-V97 HydrophobicContact CB-CG1 4.37Å; E95-K314 WeakPolarHBondContact OE2-CE 3.45Å; E95-K314 IonicContact OE2-NZ 3.9Å; E95-K314 PolarHBondContact OE2-NZ 2.94Å; E95-P329 WeakPolarHBondContact O-CB 3.38Å
96	G	90.4	Very high	88	Confident	2 Å²	2	30.3 Å²	30.3	2%	0.021	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	34.5	178.5	0	0	0	0	0	113.3	V93 R94 V98 Y330 R333	V93-G96 PolarHBondContact O-N 3.08Å; R94-G96 VanDerWaalsContact C-N 3.33Å; G96-V98 VanDerWaalsContact C-N 3.27Å; G96-Y330 WeakPolarHBondContact O-CD2 3.35Å; G96-R333 WeakPolarHBondContact O-CD 3.27Å
97	V	90.1	Very high	87.8	Confident	15 Å²	15	35.5 Å²	35.5	9%	0.091	19%	0.191	C	C	.	.	S	Bend	trans	-72.5	-22.6	174	-60.9	0	0	0	0	112.9	L89 G91 G92 E95 T119	L89-V97 HydrophobicContact CD1-CG2 4.46Å; G91-V97 WeakPolarHBondContact O-CG2 3.45Å; G92-V97 WeakPolarHBondContact O-CG2 3.41Å; E95-V97 HydrophobicContact CB-CG1 4.37Å; V97-T119 HydrophobicContact CG2-CG2 4.31Å; V97-T119 WeakPolarHBondContact CG2-OG1 3.34Å
98	V	93.1	Very high	87.9	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.012	19%	0.193	C	C	.	.	S	Bend	trans	-139.7	141.4	172.5	-177.6	0	0	0	0	107.1	L89 G96 L100 T119 L121 V274 A292	L89-V98 HydrophobicContact CD1-CG2 3.5Å; L89-V98 VanDerWaalsContact CD1-CG2 3.5Å; G96-V98 VanDerWaalsContact C-N 3.27Å; V98-L100 HydrophobicContact CB-CD1 4.23Å; V98-L100 HydrophobicContact CB-CG 4.39Å; V98-L100 HydrophobicContact CG1-CD1 4.15Å; V98-L100 HydrophobicContact CG1-CG 3.99Å; V98-L100 PolarHBondContact O-N 3.49Å; V98-T119 HydrophobicContact CG2-CG2 4.18Å; V98-L121 HydrophobicContact CG2-CD2 4.33Å; V98-V274 HydrophobicContact CG1-CG1 4.1Å; V98-A292 HydrophobicContact CG2-CB 4.26Å
99	D	92.9	Very high	87.6	Confident	20 Å²	20	37.8 Å²	37.8	11%	0.107	21%	0.209	C	C	.	.			trans	-72.1	94.2	175.5	-169.4	25	0	0	0	111.3	R288 Y330	D99-R288 IonicContact OD1-NH1 3.48Å; D99-R288 PolarHBondContact OD1-NH1 3.37Å; D99-R288 WeakPolarHBondContact OD2-CD 3.39Å; D99-R288 IonicContact OD2-CZ 2.7Å; D99-R288 IonicContact OD2-NE 2.82Å; D99-R288 IonicContact OD2-NH1 3.59Å; D99-R288 PolarHBondContact OD2-NH1 2.96Å; D99-Y330 HydrophobicContact CB-CD1 3.55Å; D99-Y330 HydrophobicContact CB-CD2 3.89Å; D99-Y330 HydrophobicContact CB-CE1 3.52Å; D99-Y330 HydrophobicContact CB-CE2 3.86Å; D99-Y330 HydrophobicContact CB-CG 3.74Å
100	L	91.9	Very high	87.5	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.042	22%	0.216	C	C	.	.			trans	-131	155.1	-179.1	-74.6	169.3	0	0	0	110.3	V93 V98 L102 I219 V236 V274 A276	V93-L100 HydrophobicContact CB-CD1 4.22Å; V93-L100 HydrophobicContact CG1-CD1 3.6Å; V98-L100 HydrophobicContact CB-CD1 4.23Å; V98-L100 HydrophobicContact CB-CG 4.39Å; V98-L100 HydrophobicContact CG1-CD1 4.15Å; V98-L100 HydrophobicContact CG1-CG 3.99Å; V98-L100 PolarHBondContact O-N 3.49Å; L100-L102 PolarHBondContact O-N 2.89Å; L100-I219 HydrophobicContact CB-CD1 4.32Å; L100-I219 HydrophobicContact CD1-CD1 4.06Å; L100-I219 HydrophobicContact CD1-CG1 4.47Å; L100-V236 HydrophobicContact CD1-CG1 4.27Å; L100-V236 HydrophobicContact CD1-CG2 3.93Å; L100-V274 HydrophobicContact CD2-CB 3.85Å; L100-V274 HydrophobicContact CD2-CG2 3.87Å; L100-A276 HydrophobicContact CD2-CB 4.11Å
101	D	85.6	Confident	87.4	Confident	66 Å²	66	39 Å²	39	35%	0.353	21%	0.209	S	C	.	.			trans	-72.3	123.9	177.9	-58.4	-34	0	0	0	110	A276 C277 R288	D101-A276 WeakPolarHBondContact OD2-CA 3.46Å; D101-C277 PolarHBondContact OD2-N 3.01Å; D101-R288 IonicContact OD1-CZ 2.68Å; D101-R288 IonicContact OD1-NH1 3.76Å; D101-R288 IonicContact OD1-NH2 3.63Å; D101-R288 PolarHBondContact OD1-NH2 3.05Å; D101-R288 IonicContact OD2-NH2 3.5Å
102	L	83.6	Confident	87.4	Confident	17 Å²	17	41.9 Å²	41.9	9%	0.089	23%	0.225	C	C	.	.			trans	-103.1	4.2	-171.7	-54.9	-179.9	0	0	0	113.7	V93 L100 L105 K325	V93-L102 HydrophobicContact CB-CD2 4.47Å; V93-L102 HydrophobicContact CG2-CD2 4.28Å; V93-L102 WeakPolarHBondContact O-CD2 3.39Å; L100-L102 PolarHBondContact O-N 2.89Å; L102-L105 HydrophobicContact CB-CD1 4.22Å; L102-L105 HydrophobicContact CD2-CD1 3.53Å; L102-L105 HydrophobicContact CG-CD1 4.5Å; L102-K325 PolarHBondContact O-NZ 3.08Å
103	D	80.2	Confident	87.5	Confident	135 Å²	135	44.4 Å²	44.4	72%	0.722	24%	0.238	S	C	*	.	S	Bend	trans	-79	-28.6	-170.7	-65.9	-26.1	0	0	0	112.9
104	E	77.9	Confident	87.6	Confident	101 Å²	101	44.7 Å²	44.7	47%	0.472	24%	0.24	S	C	.	.	S	Bend	trans	-92.5	1.8	-179.5	-61.6	-179.1	-172.5	0	0	112.5	N216 G217 K283	E104-N216 WeakPolarHBondContact O-CB 3.47Å; E104-G217 WeakPolarHBondContact OE2-CA 3.41Å; E104-K283 IonicContact OE1-NZ 2.61Å; E104-K283 PolarHBondContact OE1-NZ 3.46Å
105	L	85.3	Confident	87.5	Confident	23 Å²	23	43.6 Å²	43.6	12%	0.12	24%	0.236	C	C	.	.			trans	-82.1	130.8	-176.6	-69.9	-179.4	0	0	0	112.5	V93 R94 L102 N216 I219	V93-L105 HydrophobicContact CG2-CD1 3.4Å; V93-L105 VanDerWaalsContact CG2-CD1 3.4Å; V93-L105 HydrophobicContact CG2-CD2 4.42Å; R94-L105 HydrophobicContact CG-CD1 3.99Å; L102-L105 HydrophobicContact CB-CD1 4.22Å; L102-L105 HydrophobicContact CD2-CD1 3.53Å; L102-L105 HydrophobicContact CG-CD1 4.5Å; L105-N216 HydrophobicContact CD2-CB 3.59Å; L105-I219 HydrophobicContact CD1-CD1 4.46Å; L105-I219 HydrophobicContact CD2-CB 4.2Å; L105-I219 HydrophobicContact CD2-CD1 3.79Å; L105-I219 HydrophobicContact CD2-CG2 4.32Å; L105-I219 HydrophobicContact CG-CD1 4.45Å
106	N	85.1	Confident	87.5	Confident	64 Å²	64	41 Å²	41	34%	0.342	22%	0.224	S	C	.	.			trans	-56.2	143.9	167.2	-75.6	-21.8	0	0	0	112.1	R94 Y108 E214 N216	R94-N106 PolarHBondContact NE-O 3.2Å; R94-N106 VanDerWaalsContact NE-O 3.09Å; R94-N106 PolarHBondContact NH2-O 3.39Å; N106-Y108 HydrophobicContact CB-CE2 4.13Å; N106-Y108 PolarHBondContact O-N 3.37Å; N106-E214 PolarHBondContact ND2-OE2 3.47Å; N106-N216 PolarHBondContact N-OD1 3.01Å; N106-N216 PolarHBondContact ND2-OD1 3.4Å; N106-N216 VanDerWaalsContact ND2-OD1 3.12Å
107	V	85.7	Confident	87.6	Confident	141 Å²	141	41 Å²	41	86%	0.855	22%	0.223	S	C	*	.			trans	-78.8	106.2	178.3	-175.9	0	0	0	0	108.3
108	Y	90.1	Very high	87.8	Confident	19 Å²	19	40.3 Å²	40.3	8%	0.075	22%	0.219	C	C	.	.			trans	-110.4	136.1	169.4	-66.3	-56	0	0	0	109.5	N106 D113 K212 E214 I223 L232	N106-Y108 HydrophobicContact CB-CE2 4.13Å; N106-Y108 PolarHBondContact O-N 3.37Å; Y108-D113 WeakPolarHBondContact CA-OD2 3.42Å; Y108-D113 HydrophobicContact CD1-CB 3.81Å; Y108-D113 HydrophobicContact CG-CB 4.4Å; Y108-K212 HydrophobicContact CE1-CD 4.23Å; Y108-K212 WeakPolarHBondContact OH-CD 3.34Å; Y108-K212 PolarHBondContact OH-NZ 3.3Å; Y108-E214 PolarHBondContact OH-OE2 3.3Å; Y108-I223 HydrophobicContact CD1-CD1 4.3Å; Y108-I223 HydrophobicContact CE1-CD1 3.9Å; Y108-L232 HydrophobicContact CD2-CD1 4.34Å; Y108-L232 HydrophobicContact CD2-CD2 4.05Å; Y108-L232 HydrophobicContact CE2-CD1 4.36Å
109	A	86.4	Confident	88	Confident	46 Å²	46	40.2 Å²	40.2	38%	0.38	22%	0.219	S	C	.	.			trans	-111.2	127.1	178.5	0	0	0	0	0	110.4	G111 T112 D113	A109-G111 PolarHBondContact O-N 3.22Å; A109-T112 PolarHBondContact O-N 3.44Å; A109-T112 VanDerWaalsContact O-N 3.09Å; A109-D113 PolarHBondContact N-OD2 2.93Å; A109-D113 PolarHBondContact O-N 3.14Å
110	R	86.8	Confident	88.2	Confident	63 Å²	63	39.2 Å²	39.2	24%	0.238	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-52.9	138.5	170	-177.7	178.2	172.5	-171.8	-4.1	110.4	D47 T112 Y114	D47-R110 PolarHBondContact O-NH2 3.12Å; D47-R110 IonicContact OD1-CZ 3.01Å; D47-R110 IonicContact OD1-NH1 2.76Å; D47-R110 PolarHBondContact OD1-NH1 3.13Å; R110-T112 PolarHBondContact O-N 3.17Å; R110-T112 VanDerWaalsContact O-N 3.15Å; R110-Y114 CarbonylContact C-O 3.32Å; R110-Y114 WeakPolarHBondContact CA-O 3.31Å; R110-Y114 HydrophobicContact CB-CE2 4.16Å; R110-Y114 HydrophobicContact CG-CE2 4.49Å
111	G	84.7	Confident	88.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-28.9	-175.9	0	0	0	0	0	114.5	A109 Y114 R230 T425 L428	A109-G111 PolarHBondContact O-N 3.22Å; G111-Y114 PolarHBondContact N-O 3.38Å; G111-R230 PolarHBondContact O-NH2 2.84Å; G111-T425 WeakPolarHBondContact CA-OG1 3.34Å; G111-L428 WeakPolarHBondContact O-CD1 3.17Å
112	T	87.6	Confident	89	Confident	68 Å²	68	35.7 Å²	35.7	42%	0.417	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-50.6	175.3	-55	0	0	0	0	111.6	A109 R110 R230	A109-T112 PolarHBondContact O-N 3.44Å; A109-T112 VanDerWaalsContact O-N 3.09Å; R110-T112 PolarHBondContact O-N 3.17Å; R110-T112 VanDerWaalsContact O-N 3.15Å; T112-R230 PolarHBondContact O-NH1 2.79Å
113	D	91	Very high	89.6	Confident	52 Å²	52	35 Å²	35	28%	0.278	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-39.6	-174.9	-60.2	-69.8	0	0	0	112.3	Y108 A109	Y108-D113 WeakPolarHBondContact CA-OD2 3.42Å; Y108-D113 HydrophobicContact CD1-CB 3.81Å; Y108-D113 HydrophobicContact CG-CB 4.4Å; A109-D113 PolarHBondContact N-OD2 2.93Å; A109-D113 PolarHBondContact O-N 3.14Å
114	Y	92.3	Very high	90.3	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.027	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-144.5	154.6	-178.2	66.8	-87.6	0	0	0	111	R110 G111 M116 D117 L232	R110-Y114 CarbonylContact C-O 3.32Å; R110-Y114 WeakPolarHBondContact CA-O 3.31Å; R110-Y114 HydrophobicContact CB-CE2 4.16Å; R110-Y114 HydrophobicContact CG-CE2 4.49Å; G111-Y114 PolarHBondContact N-O 3.38Å; Y114-M116 WeakPolarHBondContact CD2-O 3.43Å; Y114-D117 HydrophobicContact CD2-CB 3.91Å; Y114-D117 HydrophobicContact CE2-CB 3.58Å; Y114-L232 HydrophobicContact CD1-CB 4.19Å; Y114-L232 HydrophobicContact CD1-CD2 3.76Å; Y114-L232 HydrophobicContact CD2-CB 4.21Å; Y114-L232 HydrophobicContact CE1-CD2 3.81Å; Y114-L232 HydrophobicContact CG-CB 3.81Å; Y114-L232 HydrophobicContact CG-CD2 4.19Å
115	D	88.6	Confident	91.1	Very high	11 Å²	11	24.4 Å²	24.4	6%	0.059	14%	0.138	C	C	.	.	S	Bend	trans	-100.9	-29.8	176.2	-51.1	-53.1	0	0	0	110.6	R230 T425	D115-R230 PolarHBondContact N-O 3.21Å; D115-R230 IonicContact OD1-CZ 2.67Å; D115-R230 IonicContact OD1-NE 3.05Å; D115-R230 IonicContact OD1-NH2 3.81Å; D115-R230 PolarHBondContact OD1-NH2 3.27Å; D115-R230 IonicContact OD2-CZ 2.71Å; D115-R230 PolarHBondContact OD2-N 2.96Å; D115-R230 IonicContact OD2-NE 3.09Å; D115-R230 PolarHBondContact OD2-NE 3.01Å; D115-R230 IonicContact OD2-NH2 3.68Å; D115-T425 WeakPolarHBondContact OD1-CG2 3.47Å
116	M	88.3	Confident	91.4	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.4	-179.4	-60.2	-167.8	73.6	0	0	111	Y51 R55 I59 Y114 F118 R230 M231 L232	Y51-M116 HydrophobicContact CD1-CE 4.42Å; Y51-M116 HydrophobicContact CE1-CE 3.38Å; R55-M116 HydrophobicContact CG-SD 4.04Å; I59-M116 HydrophobicContact CD1-CE 3.45Å; I59-M116 VanDerWaalsContact CD1-CE 3.45Å; I59-M116 HydrophobicContact CD1-SD 3.69Å; I59-M116 HydrophobicContact CG1-CE 3.9Å; I59-M116 HydrophobicContact CG1-SD 3.65Å; Y114-M116 WeakPolarHBondContact CD2-O 3.43Å; M116-F118 HydrophobicContact CB-CE2 4.04Å; M116-F118 HydrophobicContact CB-CZ 4.5Å; M116-F118 HydrophobicContact CE-CE2 4.37Å; M116-F118 HydrophobicContact CE-CZ 3.78Å; M116-R230 PolarHBondContact N-O 3.19Å; M116-R230 VanDerWaalsContact N-O 3.13Å; M116-M231 HydrophobicContact CB-CG 4.31Å; M116-M231 CarbonylContact O-C 3.59Å; M116-M231 WeakPolarHBondContact O-CA 3.45Å; M116-M231 HydrophobicContact SD-CE 4.23Å; M116-L232 PolarHBondContact O-N 3.25Å
117	D	92.8	Very high	91.6	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.5	179.1	58.6	-19.5	0	0	0	112.1	R49 G91 G92 Y114 L232	R49-D117 IonicContact CZ-OD1 3.25Å; R49-D117 IonicContact NH1-OD1 3.5Å; R49-D117 IonicContact NH2-OD1 3.2Å; R49-D117 PolarHBondContact NH2-OD1 3.11Å; G91-D117 CarbonylContact C-O 3.51Å; G91-D117 WeakPolarHBondContact CA-O 3.24Å; G91-D117 PolarHBondContact N-O 3.39Å; G92-D117 WeakPolarHBondContact CA-OD2 3.45Å; G92-D117 PolarHBondContact N-OD2 3.24Å; Y114-D117 HydrophobicContact CD2-CB 3.91Å; Y114-D117 HydrophobicContact CE2-CB 3.58Å; D117-L232 CarbonylContact C-O 3.59Å; D117-L232 WeakPolarHBondContact CA-O 3.45Å; D117-L232 HydrophobicContact CB-CB 4.14Å; D117-L232 HydrophobicContact CB-CD2 4.39Å; D117-L232 HydrophobicContact CB-CG 4.48Å
118	F	94.8	Very high	91.5	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.6	-178.4	-58.1	-85.1	0	0	0	110.4	I59 L88 L89 G91 M116 M231 L232 Y233 D234	I59-F118 HydrophobicContact CG1-CZ 4.32Å; I59-F118 HydrophobicContact CG2-CE1 4.46Å; I59-F118 HydrophobicContact CG2-CZ 3.9Å; L88-F118 HydrophobicContact CD1-CB 3.81Å; L88-F118 HydrophobicContact CD1-CD1 4.42Å; L88-F118 HydrophobicContact CD1-CG 4.36Å; L89-F118 VanDerWaalsContact O-CA 3.26Å; L89-F118 WeakPolarHBondContact O-CA 3.34Å; G91-F118 CarbonylContact O-C 3.52Å; G91-F118 VanDerWaalsContact O-C 3.32Å; G91-F118 WeakPolarHBondContact O-CA 3.29Å; M116-F118 HydrophobicContact CB-CE2 4.04Å; M116-F118 HydrophobicContact CB-CZ 4.5Å; M116-F118 HydrophobicContact CE-CE2 4.37Å; M116-F118 HydrophobicContact CE-CZ 3.78Å; F118-M231 HydrophobicContact CE2-CB 4.44Å; F118-M231 HydrophobicContact CE2-SD 4.28Å; F118-L232 PolarHBondContact N-O 2.71Å; F118-Y233 HydrophobicContact CB-CD1 3.9Å; F118-Y233 HydrophobicContact CB-CE1 3.92Å; F118-Y233 HydrophobicContact CD2-CD1 4.48Å; F118-Y233 AromaticContact CD2-CE1 4Å; F118-Y233 HydrophobicContact CD2-CE1 4Å; F118-Y233 HydrophobicContact CD2-CE2 4.08Å; F118-Y233 AromaticContact CD2-CZ 3.77Å; F118-Y233 HydrophobicContact CG-CE1 4.09Å; F118-Y233 WeakPolarHBondContact O-CA 3.47Å; F118-D234 PolarHBondContact O-N 2.81Å
119	T	95.8	Very high	90.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.2	170.5	-57.3	0	0	0	0	109	L89 G91 G92 V93 V97 V98 L121 D234 V236	L89-T119 PolarHBondContact N-O 3.26Å; L89-T119 PolarHBondContact O-N 2.85Å; G91-T119 PolarHBondContact O-N 2.81Å; G91-T119 PolarHBondContact O-OG1 3.38Å; G92-T119 VanDerWaalsContact C-OG1 3.23Å; G92-T119 WeakPolarHBondContact CA-OG1 3.49Å; V93-T119 HydrophobicContact CG1-CG2 3.68Å; V93-T119 PolarHBondContact N-OG1 3.4Å; V93-T119 VanDerWaalsContact N-OG1 3.12Å; V97-T119 HydrophobicContact CG2-CG2 4.31Å; V97-T119 WeakPolarHBondContact CG2-OG1 3.34Å; V98-T119 HydrophobicContact CG2-CG2 4.18Å; T119-L121 HydrophobicContact CG2-CD2 4.2Å; T119-D234 CarbonylContact C-O 3.55Å; T119-D234 WeakPolarHBondContact CA-O 3.26Å; T119-V236 HydrophobicContact CG2-CG2 4.23Å
120	L	97	Very high	90.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	112.4	-179	-177.8	61.1	0	0	0	110.3	I66 F67 L70 Y86 L88 V122 D234 I235 V236	I66-L120 HydrophobicContact CG2-CD2 3.48Å; I66-L120 VanDerWaalsContact CG2-CD2 3.48Å; F67-L120 HydrophobicContact CE1-CD1 3.99Å; F67-L120 HydrophobicContact CE1-CD2 4.08Å; L70-L120 HydrophobicContact CD1-CD2 3.79Å; Y86-L120 HydrophobicContact CG-CD1 4.49Å; L88-L120 HydrophobicContact CB-CD1 3.94Å; L88-L120 HydrophobicContact CD1-CB 4.15Å; L88-L120 HydrophobicContact CD1-CD1 4.04Å; L120-V122 HydrophobicContact CD2-CG2 4.08Å; L120-V122 HydrophobicContact CG-CG2 3.87Å; L120-D234 PolarHBondContact N-O 2.8Å; L120-I235 HydrophobicContact CB-CG1 4.5Å; L120-I235 HydrophobicContact CD2-CG2 4.45Å; L120-V236 PolarHBondContact O-N 2.84Å
121	L	97.3	Very high	89.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.5	172	-52.7	-170.1	0	0	0	109.6	L87 V98 T119 V236 V238 Y272 A292	L87-L121 HydrophobicContact CB-CB 4.24Å; L87-L121 HydrophobicContact CD2-CD1 4.11Å; L87-L121 PolarHBondContact N-O 3.37Å; L87-L121 PolarHBondContact O-N 3.31Å; V98-L121 HydrophobicContact CG2-CD2 4.33Å; T119-L121 HydrophobicContact CG2-CD2 4.2Å; L121-V236 HydrophobicContact CD2-CB 3.87Å; L121-V236 HydrophobicContact CD2-CG1 4.35Å; L121-V236 HydrophobicContact CD2-CG2 4.34Å; L121-V238 HydrophobicContact CB-CG1 4.02Å; L121-V238 HydrophobicContact CB-CG2 4.02Å; L121-V238 HydrophobicContact CD1-CG1 4.42Å; L121-V238 HydrophobicContact CD2-CG1 3.96Å; L121-V238 HydrophobicContact CG-CG1 4.36Å; L121-Y272 HydrophobicContact CD1-CD2 3.99Å; L121-Y272 HydrophobicContact CD1-CE2 4.15Å; L121-Y272 HydrophobicContact CD1-CG 4.24Å; L121-A292 HydrophobicContact CD1-CB 4.1Å
122	V	97.1	Very high	89.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	105.4	-177.2	-178	0	0	0	0	109.2	L70 L80 Y86 L120 A124 F188 I235 V236 P237 V238	L70-V122 HydrophobicContact CD1-CG2 3.93Å; L70-V122 HydrophobicContact CD2-CG1 4.39Å; L70-V122 HydrophobicContact CD2-CG2 4.4Å; L80-V122 HydrophobicContact CD1-CG1 4.4Å; L80-V122 HydrophobicContact CD2-CG1 4.28Å; Y86-V122 HydrophobicContact CD1-CB 4.44Å; Y86-V122 HydrophobicContact CD1-CG1 4.2Å; Y86-V122 HydrophobicContact CD1-CG2 4.3Å; Y86-V122 HydrophobicContact CE1-CG1 3.79Å; L120-V122 HydrophobicContact CD2-CG2 4.08Å; L120-V122 HydrophobicContact CG-CG2 3.87Å; V122-A124 PolarHBondContact O-N 3.13Å; V122-F188 HydrophobicContact CB-CE1 4.15Å; V122-F188 HydrophobicContact CB-CZ 4.02Å; V122-F188 HydrophobicContact CG1-CE1 4.3Å; V122-F188 HydrophobicContact CG1-CE2 4.42Å; V122-F188 HydrophobicContact CG1-CZ 3.74Å; V122-F188 HydrophobicContact CG2-CE1 4.33Å; V122-F188 HydrophobicContact CG2-CZ 4.1Å; V122-I235 HydrophobicContact CG2-CG2 3.52Å; V122-V236 PolarHBondContact N-O 2.81Å; V122-P237 CarbonylContact O-C 3.47Å; V122-P237 WeakPolarHBondContact O-CA 3.39Å; V122-V238 PolarHBondContact O-N 2.96Å
123	P	96.1	Very high	88.6	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	109.9	176	-23.8	32.3	0	0	0	111.7	P81 N84 E85 V238	P81-P123 VanDerWaalsContact CD-O 3.23Å; P81-P123 WeakPolarHBondContact CD-O 3.45Å; N84-P123 PolarHBondContact ND2-O 2.93Å; N84-P123 WeakPolarHBondContact OD1-CB 3.39Å; N84-P123 WeakPolarHBondContact OD1-CD 3.27Å; N84-P123 VanDerWaalsContact OD1-CG 3.24Å; N84-P123 WeakPolarHBondContact OD1-CG 3.28Å; E85-P123 WeakPolarHBondContact O-CG 3.39Å; P123-V238 CarbonylContact C-O 3.55Å; P123-V238 WeakPolarHBondContact CA-O 3.4Å; P123-V238 HydrophobicContact CB-CG2 4.46Å; P123-V238 HydrophobicContact CG-CG2 4.2Å
124	A	96.8	Very high	88.3	Confident	2 Å²	2	35.9 Å²	35.9	2%	0.017	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-36.8	166.3	0	0	0	0	0	110.1	V122 W161 F179 V184 V238	V122-A124 PolarHBondContact O-N 3.13Å; A124-W161 HydrophobicContact CB-CH2 3.81Å; A124-W161 HydrophobicContact CB-CZ2 4.24Å; A124-W161 VanDerWaalsContact O-CZ2 3.23Å; A124-W161 WeakPolarHBondContact O-CZ2 3.48Å; A124-F179 HydrophobicContact CB-CZ 4.23Å; A124-V184 HydrophobicContact CB-CG1 3.89Å; A124-V238 PolarHBondContact N-O 2.95Å
125	L	94.5	Very high	87.8	Confident	13 Å²	13	37.2 Å²	37.2	7%	0.068	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.9	170	-72.3	177.7	0	0	0	109.8	L127 L148 L150 F153 T157 W161 F179 V239 S240	L125-L127 HydrophobicContact CB-CD2 4.28Å; L125-L148 HydrophobicContact CD1-CD2 4.27Å; L125-L150 HydrophobicContact CD1-CD2 4.23Å; L125-F153 HydrophobicContact CD1-CE1 4.44Å; L125-T157 HydrophobicContact CD2-CG2 4.21Å; L125-W161 HydrophobicContact CD2-CZ2 4.5Å; L125-F179 HydrophobicContact CD1-CD1 3.87Å; L125-F179 HydrophobicContact CD1-CD2 4.07Å; L125-F179 HydrophobicContact CD1-CE1 3.68Å; L125-F179 HydrophobicContact CD1-CE2 3.88Å; L125-F179 HydrophobicContact CD1-CG 4.05Å; L125-F179 HydrophobicContact CD1-CZ 3.67Å; L125-F179 HydrophobicContact CG-CE1 4.03Å; L125-F179 HydrophobicContact CG-CE2 4.29Å; L125-F179 HydrophobicContact CG-CZ 3.79Å; L125-V239 HydrophobicContact CB-CB 4.49Å; L125-V239 HydrophobicContact CB-CG1 3.87Å; L125-V239 HydrophobicContact CB-CG2 4.25Å; L125-V239 WeakPolarHBondContact O-CA 3.49Å; L125-S240 PolarHBondContact O-N 2.93Å
126	K	91	Very high	87.9	Confident	55 Å²	55	38.8 Å²	38.8	24%	0.239	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.3	171.9	-172.8	-176.1	-174.6	-175.7	0	108.5	P81 E85 H128	P81-K126 HydrophobicContact CG-CB 4.17Å; E85-K126 VanDerWaalsContact CD-NZ 3.27Å; E85-K126 IonicContact OE1-NZ 3.74Å; E85-K126 PolarHBondContact OE1-NZ 2.9Å; E85-K126 IonicContact OE2-NZ 2.79Å; K126-H128 WeakPolarHBondContact CE-ND1 3.32Å; K126-H128 HydrophobicContact CG-CB 4.41Å
127	L	89.8	Confident	87.9	Confident	14 Å²	14	39.2 Å²	39.2	7%	0.073	21%	0.205	C	C	.	.			trans	-111.1	22.2	-171.4	-53.4	-177.1	0	0	0	113	L125 V134 F153 V239 S240 F241	L125-L127 HydrophobicContact CB-CD2 4.28Å; L127-V134 HydrophobicContact CB-CG2 4.26Å; L127-V134 HydrophobicContact CD1-CG1 3.97Å; L127-V134 HydrophobicContact CD1-CG2 3.83Å; L127-F153 HydrophobicContact CD1-CZ 3.98Å; L127-F153 HydrophobicContact CD2-CE1 3.47Å; L127-F153 VanDerWaalsContact CD2-CE1 3.47Å; L127-F153 HydrophobicContact CD2-CZ 3.67Å; L127-V239 HydrophobicContact CD1-CG1 3.57Å; L127-V239 HydrophobicContact CG-CG1 3.95Å; L127-S240 PolarHBondContact N-O 3.47Å; L127-F241 HydrophobicContact CB-CD1 4.42Å; L127-F241 HydrophobicContact CD1-CD1 4.31Å; L127-F241 HydrophobicContact CD1-CE1 3.66Å; L127-F241 HydrophobicContact CD1-CE2 4.35Å; L127-F241 HydrophobicContact CD1-CZ 3.66Å
128	H	82.4	Confident	87.8	Confident	27 Å²	27	42 Å²	42	13%	0.125	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-39.4	-170.6	-61.7	-179.2	0	0	0	114.2	E85 K126 S240 F241 K242	E85-H128 IonicContact OE2-CE1 3.61Å; E85-H128 IonicContact OE2-ND1 2.73Å; K126-H128 WeakPolarHBondContact CE-ND1 3.32Å; K126-H128 HydrophobicContact CG-CB 4.41Å; H128-S240 PolarHBondContact CD2-O 2.99Å; H128-S240 PolarHBondContact CE1-OG 3.41Å; H128-S240 PolarHBondContact NE2-OG 3.21Å; H128-F241 PolarHBondContact NE2-O 3.47Å; H128-K242 HydrophobicContact CB-CB 3.96Å; H128-K242 PolarHBondContact CD2-N 2.87Å
129	D	73.9	Confident	87.4	Confident	133 Å²	133	50.9 Å²	50.9	71%	0.711	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	25.1	-169.6	-54.6	-51.8	0	0	0	112.3
130	R	77.8	Confident	86.8	Confident	67 Å²	67	56.9 Å²	56.9	25%	0.253	28%	0.28	S	S	.	.			trans	-89.1	124.4	-179.7	-66.5	179.7	68.1	100.6	2	110	Q132 L152 F153	R130-Q132 PolarHBondContact O-N 2.93Å; R130-L152 PolarHBondContact NH2-O 2.84Å; R130-F153 VanDerWaalsContact NH1-CE1 3.32Å
131	N	71.8	Confident	86.4	Confident	173 Å²	173	57.9 Å²	57.9	93%	0.925	29%	0.287	S	S	*	.	S	Bend	trans	-77.8	-1.4	169.9	-65.7	-17.2	0	0	0	113
132	Q	75.4	Confident	86.1	Confident	112 Å²	112	59.9 Å²	59.9	52%	0.523	30%	0.304	S	S	.	.	S	Bend	trans	-110	140.8	-179.7	-68.1	-177.1	3.4	0	0	110.6	R130 L152	R130-Q132 PolarHBondContact O-N 2.93Å; Q132-L152 PolarHBondContact OE1-O 2.77Å
133	P	76.2	Confident	85.8	Confident	98 Å²	98	64.2 Å²	64.2	64%	0.636	33%	0.327	S	S	*	.			trans	-65.1	142.6	179.9	28	-34.5	0	0	0	111.1	L152	P133-L152 HydrophobicContact CG-CD1 4.33Å; P133-L152 WeakPolarHBondContact O-CD1 3.29Å
134	V	84.1	Confident	85.7	Confident	38 Å²	38	64.4 Å²	64.4	23%	0.23	33%	0.328	C	S	.	.			trans	-92.5	129	171.1	-177.3	0	0	0	0	108.4	L127 L136 L148 F241	L127-V134 HydrophobicContact CB-CG2 4.26Å; L127-V134 HydrophobicContact CD1-CG1 3.97Å; L127-V134 HydrophobicContact CD1-CG2 3.83Å; V134-L136 HydrophobicContact CG1-CD2 4.42Å; V134-L136 PolarHBondContact O-N 3.11Å; V134-L148 HydrophobicContact CG1-CD1 3.42Å; V134-L148 VanDerWaalsContact CG1-CD1 3.42Å; V134-F241 HydrophobicContact CB-CE1 4.05Å; V134-F241 HydrophobicContact CG1-CE1 3.78Å; V134-F241 HydrophobicContact CG1-CZ 4.26Å; V134-F241 HydrophobicContact CG2-CE1 4.25Å
135	T	83.2	Confident	85.7	Confident	34 Å²	34	64.9 Å²	64.9	21%	0.209	33%	0.33	C	S	.	.			trans	-88.4	104.7	176.2	-54.5	0	0	0	0	109.7	S149 R151	T135-S149 PolarHBondContact O-N 3.09Å; T135-R151 PolarHBondContact OG1-NH2 2.82Å
136	L	89.9	Confident	85.7	Confident	44 Å²	44	64.3 Å²	64.3	23%	0.23	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	108.8	163.4	-64.5	-170.2	0	0	0	108.4	V134 M138 S146 L148 F241 F271 L273	V134-L136 HydrophobicContact CG1-CD2 4.42Å; V134-L136 PolarHBondContact O-N 3.11Å; L136-M138 PolarHBondContact O-N 3.41Å; L136-S146 VanDerWaalsContact C-OG 3.22Å; L136-S146 VanDerWaalsContact CA-OG 3.27Å; L136-S146 WeakPolarHBondContact CA-OG 3.49Å; L136-S146 VanDerWaalsContact CB-OG 3.26Å; L136-S146 WeakPolarHBondContact CB-OG 3.28Å; L136-L148 HydrophobicContact CD2-CD1 4.03Å; L136-F241 HydrophobicContact CD2-CE1 4.28Å; L136-F241 HydrophobicContact CD2-CZ 3.94Å; L136-F271 HydrophobicContact CD1-CE2 4.27Å; L136-F271 HydrophobicContact CD1-CZ 4.18Å; L136-L273 HydrophobicContact CD2-CD1 3.81Å
137	D	88.9	Confident	85.9	Confident	11 Å²	11	62.4 Å²	62.4	6%	0.059	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	97.7	179.6	-169.7	-2.5	0	0	0	110.9	R139 S146 W147 F178	D137-R139 WeakPolarHBondContact OD1-CB 3.44Å; D137-R139 WeakPolarHBondContact OD1-CG 3.25Å; D137-R139 IonicContact OD1-CZ 3.73Å; D137-R139 PolarHBondContact OD1-N 2.8Å; D137-R139 VanDerWaalsContact OD1-N 3.16Å; D137-R139 IonicContact OD1-NE 2.99Å; D137-R139 PolarHBondContact OD1-NE 2.83Å; D137-R139 IonicContact OD1-NH2 3.23Å; D137-R139 IonicContact OD2-CZ 3.76Å; D137-R139 IonicContact OD2-NE 3.81Å; D137-R139 PolarHBondContact OD2-NE 3.04Å; D137-R139 IonicContact OD2-NH2 2.88Å; D137-R139 PolarHBondContact OD2-NH2 3.08Å; D137-S146 PolarHBondContact N-OG 2.68Å; D137-S146 VanDerWaalsContact N-OG 3.1Å; D137-W147 HydrophobicContact CB-CB 4.28Å; D137-W147 PolarHBondContact N-O 3.31Å; D137-W147 PolarHBondContact O-N 3.29Å; D137-F178 HydrophobicContact CB-CE1 4.45Å
138	M	90.1	Very high	86.2	Confident	60 Å²	60	61.7 Å²	61.7	30%	0.296	32%	0.315	S	S	.	.			trans	-94	-2.1	180	-55	-176.7	111.5	0	0	112.8	L136 H140 S141 H145 V247 L289	L136-M138 PolarHBondContact O-N 3.41Å; M138-H140 PolarHBondContact O-N 3.14Å; M138-H140 VanDerWaalsContact O-N 3.12Å; M138-S141 PolarHBondContact O-N 2.89Å; M138-S141 VanDerWaalsContact O-N 3.1Å; M138-H145 VanDerWaalsContact CE-O 3.26Å; M138-H145 WeakPolarHBondContact CE-O 3.39Å; M138-V247 HydrophobicContact CE-CB 4.34Å; M138-V247 HydrophobicContact CE-CG1 4.11Å; M138-V247 HydrophobicContact CE-CG2 4.3Å; M138-V247 HydrophobicContact SD-CB 4.35Å; M138-V247 HydrophobicContact SD-CG2 4.49Å; M138-L289 HydrophobicContact CE-CD1 3.82Å
139	R	87.4	Confident	86.7	Confident	187 Å²	187	60.7 Å²	60.7	71%	0.706	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.4	-173.3	-65.3	174	-68	174.7	2.2	113.6	D137	D137-R139 WeakPolarHBondContact OD1-CB 3.44Å; D137-R139 WeakPolarHBondContact OD1-CG 3.25Å; D137-R139 IonicContact OD1-CZ 3.73Å; D137-R139 PolarHBondContact OD1-N 2.8Å; D137-R139 VanDerWaalsContact OD1-N 3.16Å; D137-R139 IonicContact OD1-NE 2.99Å; D137-R139 PolarHBondContact OD1-NE 2.83Å; D137-R139 IonicContact OD1-NH2 3.23Å; D137-R139 IonicContact OD2-CZ 3.76Å; D137-R139 IonicContact OD2-NE 3.81Å; D137-R139 PolarHBondContact OD2-NE 3.04Å; D137-R139 IonicContact OD2-NH2 2.88Å; D137-R139 PolarHBondContact OD2-NH2 3.08Å
140	H	81.3	Confident	87.5	Confident	125 Å²	125	54.3 Å²	54.3	58%	0.579	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	9.2	-178.7	-59	-61.6	0	0	0	112.8	M138 W147	M138-H140 PolarHBondContact O-N 3.14Å; M138-H140 VanDerWaalsContact O-N 3.12Å; H140-W147 HydrophobicContact CB-CZ2 4.12Å
141	S	90.2	Very high	87.9	Confident	21 Å²	21	57.2 Å²	57.2	15%	0.147	29%	0.287	C	S	.	.	S	Bend	trans	-116.1	151	-175	-56.9	0	0	0	0	110.6	M138 H145 W147 E286	M138-S141 PolarHBondContact O-N 2.89Å; M138-S141 VanDerWaalsContact O-N 3.1Å; S141-H145 VanDerWaalsContact CB-C 3.49Å; S141-H145 VanDerWaalsContact CB-O 3.26Å; S141-H145 WeakPolarHBondContact CB-O 3.4Å; S141-W147 VanDerWaalsContact OG-CD1 3.3Å; S141-E286 WeakPolarHBondContact CA-OE1 3.44Å
142	A	91.3	Very high	88.6	Confident	43 Å²	43	52 Å²	52	36%	0.355	26%	0.259	S	S	.	.			trans	-62.4	165.3	166.3	0	0	0	0	0	111	H145	A142-H145 WeakPolarHBondContact O-CB 3.47Å; A142-H145 PolarHBondContact O-N 2.75Å
143	L	90.2	Very high	89.3	Confident	90 Å²	90	47.4 Å²	47.4	47%	0.471	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	149.7	169.5	-69.2	173.1	0	0	0	110.3	H145 Q381 C382	L143-H145 PolarHBondContact O-N 2.97Å; L143-H145 VanDerWaalsContact O-N 3.15Å; L143-H145 PolarHBondContact O-ND1 2.69Å; L143-Q381 HydrophobicContact CD1-CB 3.97Å; L143-Q381 VanDerWaalsContact CD1-O 3.32Å; L143-Q381 WeakPolarHBondContact CD1-O 3.24Å; L143-C382 HydrophobicContact CB-CB 4.03Å
144	C	93.7	Very high	90	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.034	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	-0.3	-168.6	-61.7	0	0	0	0	116.5	R288 L289 I379 C382	C144-R288 HydrophobicContact CB-CG 4.48Å; C144-R288 CarbonylContact O-C 3.57Å; C144-R288 WeakPolarHBondContact O-CA 3.36Å; C144-L289 WeakPolarHBondContact O-CD1 3.5Å; C144-L289 PolarHBondContact O-N 3.27Å; C144-I379 HydrophobicContact CB-CD1 4.22Å; C144-I379 WeakPolarHBondContact SG-CB 3.42Å; C144-I379 WeakPolarHBondContact SG-CD1 3.49Å; C144-C382 HydrophobicContact CB-CB 4.43Å; C144-C382 WeakPolarHBondContact SG-CB 3.44Å; C144-C382 PolarHBondContact SG-SG 2.7Å
145	H	95.9	Very high	90.3	Very high	13 Å²	13	53 Å²	53	6%	0.06	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	154.1	179.7	-60.8	75.8	0	0	0	111.3	M138 S141 A142 L143 S278 W287 R288	M138-H145 VanDerWaalsContact CE-O 3.26Å; M138-H145 WeakPolarHBondContact CE-O 3.39Å; S141-H145 VanDerWaalsContact CB-C 3.49Å; S141-H145 VanDerWaalsContact CB-O 3.26Å; S141-H145 WeakPolarHBondContact CB-O 3.4Å; A142-H145 WeakPolarHBondContact O-CB 3.47Å; A142-H145 PolarHBondContact O-N 2.75Å; L143-H145 PolarHBondContact O-N 2.97Å; L143-H145 VanDerWaalsContact O-N 3.15Å; L143-H145 PolarHBondContact O-ND1 2.69Å; H145-S278 PolarHBondContact CD2-N 2.62Å; H145-S278 PolarHBondContact NE2-N 3.25Å; H145-W287 CarbonylContact C-O 3.49Å; H145-W287 WeakPolarHBondContact CA-O 3.41Å; H145-R288 PolarHBondContact CE1-NE 2.85Å; H145-R288 PolarHBondContact NE2-NE 3.2Å
146	S	95.8	Very high	90.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	152.4	178.6	-174.1	0	0	0	0	111.4	L136 D137 W287	L136-S146 VanDerWaalsContact C-OG 3.22Å; L136-S146 VanDerWaalsContact CA-OG 3.27Å; L136-S146 WeakPolarHBondContact CA-OG 3.49Å; L136-S146 VanDerWaalsContact CB-OG 3.26Å; L136-S146 WeakPolarHBondContact CB-OG 3.28Å; D137-S146 PolarHBondContact N-OG 2.68Å; D137-S146 VanDerWaalsContact N-OG 3.1Å; S146-W287 PolarHBondContact N-O 3.24Å; S146-W287 PolarHBondContact O-N 3.33Å
147	W	95.6	Very high	90.7	Very high	15 Å²	15	52.6 Å²	52.6	6%	0.057	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	149.6	160.2	-58	8.3	0	0	0	109.2	D137 H140 S141 V168 F178 K282 N285	D137-W147 HydrophobicContact CB-CB 4.28Å; D137-W147 PolarHBondContact N-O 3.31Å; D137-W147 PolarHBondContact O-N 3.29Å; H140-W147 HydrophobicContact CB-CZ2 4.12Å; S141-W147 VanDerWaalsContact OG-CD1 3.3Å; W147-V168 HydrophobicContact CZ3-CG2 4.47Å; W147-F178 HydrophobicContact CB-CD1 3.8Å; W147-F178 HydrophobicContact CB-CE1 4.13Å; W147-F178 AromaticContact CE3-CD1 3.88Å; W147-F178 HydrophobicContact CE3-CD1 3.88Å; W147-F178 HydrophobicContact CE3-CD2 4.37Å; W147-F178 AromaticContact CE3-CE1 3.86Å; W147-F178 HydrophobicContact CE3-CE1 3.86Å; W147-F178 HydrophobicContact CE3-CE2 4.37Å; W147-F178 HydrophobicContact CE3-CG 4.11Å; W147-F178 HydrophobicContact CE3-CZ 4.11Å; W147-K282 HydrophobicContact CH2-CD 4.03Å; W147-K282 HydrophobicContact CZ2-CB 4.36Å; W147-K282 HydrophobicContact CZ2-CD 3.76Å; W147-K282 HydrophobicContact CZ2-CG 4.29Å; W147-N285 WeakPolarHBondContact CA-O 3.43Å; W147-N285 HydrophobicContact CD2-CB 3.61Å; W147-N285 VanDerWaalsContact CE2-CB 3.45Å; W147-N285 HydrophobicContact CE3-CB 4.16Å; W147-N285 HydrophobicContact CG-CB 3.88Å; W147-N285 HydrophobicContact CH2-CB 4.41Å; W147-N285 HydrophobicContact CZ2-CB 3.91Å
148	L	95.1	Very high	90.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	106	176.8	177.7	62.1	0	0	0	110	L125 V134 L136 L150 F178 F179 V239 F241 L273	L125-L148 HydrophobicContact CD1-CD2 4.27Å; V134-L148 HydrophobicContact CG1-CD1 3.42Å; V134-L148 VanDerWaalsContact CG1-CD1 3.42Å; L136-L148 HydrophobicContact CD2-CD1 4.03Å; L148-L150 HydrophobicContact CG-CD2 4.39Å; L148-F178 WeakPolarHBondContact O-CA 3.38Å; L148-F179 HydrophobicContact CB-CB 4.12Å; L148-F179 HydrophobicContact CD2-CB 3.98Å; L148-F179 HydrophobicContact CD2-CD1 3.9Å; L148-F179 HydrophobicContact CD2-CG 4.25Å; L148-F179 HydrophobicContact CG-CB 4.14Å; L148-F179 PolarHBondContact O-N 3.33Å; L148-V239 HydrophobicContact CD2-CB 4.36Å; L148-V239 HydrophobicContact CD2-CG1 3.98Å; L148-V239 HydrophobicContact CD2-CG2 3.81Å; L148-F241 HydrophobicContact CD1-CZ 4.44Å; L148-L273 HydrophobicContact CB-CD1 4.42Å
149	S	92.5	Very high	91	Very high	5 Å²	5	54.2 Å²	54.2	4%	0.035	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-81.5	129.1	177.5	-177	0	0	0	0	111.1	T135 R151	T135-S149 PolarHBondContact O-N 3.09Å; S149-R151 VanDerWaalsContact C-N 3.32Å; S149-R151 WeakPolarHBondContact OG-CB 3.43Å; S149-R151 WeakPolarHBondContact OG-CD 3.33Å; S149-R151 WeakPolarHBondContact OG-CG 3.37Å; S149-R151 PolarHBondContact OG-N 3.22Å
150	L	91.4	Very high	91.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.			trans	-89.5	7.3	174.8	-58.5	-169.6	0	0	0	113.5	L125 L148 L152 F153 I158 W161 C165 Y177 F179	L125-L150 HydrophobicContact CD1-CD2 4.23Å; L148-L150 HydrophobicContact CG-CD2 4.39Å; L150-L152 PolarHBondContact O-N 3.05Å; L150-L152 VanDerWaalsContact O-N 3.11Å; L150-F153 VanDerWaalsContact CA-CD2 3.47Å; L150-F153 HydrophobicContact CB-CB 4.44Å; L150-F153 HydrophobicContact CB-CD2 4.13Å; L150-F153 HydrophobicContact CB-CG 4.35Å; L150-F153 HydrophobicContact CD2-CD1 4.2Å; L150-F153 HydrophobicContact CD2-CD2 3.85Å; L150-F153 HydrophobicContact CD2-CE1 4.06Å; L150-F153 HydrophobicContact CD2-CE2 3.69Å; L150-F153 HydrophobicContact CD2-CG 4.09Å; L150-F153 HydrophobicContact CD2-CZ 3.8Å; L150-F153 VanDerWaalsContact O-CB 3.28Å; L150-F153 WeakPolarHBondContact O-CB 3.38Å; L150-F153 PolarHBondContact O-N 2.86Å; L150-I158 HydrophobicContact CB-CG1 4.36Å; L150-W161 HydrophobicContact CD1-CB 4.28Å; L150-C165 VanDerWaalsContact CD1-SG 3.51Å; L150-Y177 PolarHBondContact N-O 2.81Å; L150-F179 HydrophobicContact CD1-CB 4.4Å; L150-F179 HydrophobicContact CD1-CD2 4.1Å; L150-F179 HydrophobicContact CD2-CB 4.08Å; L150-F179 HydrophobicContact CG-CB 4.19Å
151	R	86.4	Confident	92	Very high	128 Å²	128	43.7 Å²	43.7	48%	0.483	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.3	-175	75.6	-172.3	177.6	162.4	-0.1	115	T135 S149 N176	T135-R151 PolarHBondContact OG1-NH2 2.82Å; S149-R151 VanDerWaalsContact C-N 3.32Å; S149-R151 WeakPolarHBondContact OG-CB 3.43Å; S149-R151 WeakPolarHBondContact OG-CD 3.33Å; S149-R151 WeakPolarHBondContact OG-CG 3.37Å; S149-R151 PolarHBondContact OG-N 3.22Å; R151-N176 WeakPolarHBondContact CB-OD1 3.32Å
152	L	86.9	Confident	92.2	Very high	64 Å²	64	47.5 Å²	47.5	34%	0.335	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	16	178.7	-58.2	-178.4	0	0	0	111.8	R130 Q132 P133 L150	R130-L152 PolarHBondContact NH2-O 2.84Å; Q132-L152 PolarHBondContact OE1-O 2.77Å; P133-L152 HydrophobicContact CG-CD1 4.33Å; P133-L152 WeakPolarHBondContact O-CD1 3.29Å; L150-L152 PolarHBondContact O-N 3.05Å; L150-L152 VanDerWaalsContact O-N 3.11Å
153	F	90.3	Very high	92.4	Very high	15 Å²	15	50.8 Å²	50.8	7%	0.066	26%	0.262	C	S	.	.	S	Bend	trans	-93.4	155.3	175.7	-72	-116.7	0	0	0	110.3	L125 L127 R130 L150 T157 I158	L125-F153 HydrophobicContact CD1-CE1 4.44Å; L127-F153 HydrophobicContact CD1-CZ 3.98Å; L127-F153 HydrophobicContact CD2-CE1 3.47Å; L127-F153 VanDerWaalsContact CD2-CE1 3.47Å; L127-F153 HydrophobicContact CD2-CZ 3.67Å; R130-F153 VanDerWaalsContact NH1-CE1 3.32Å; L150-F153 VanDerWaalsContact CA-CD2 3.47Å; L150-F153 HydrophobicContact CB-CB 4.44Å; L150-F153 HydrophobicContact CB-CD2 4.13Å; L150-F153 HydrophobicContact CB-CG 4.35Å; L150-F153 HydrophobicContact CD2-CD1 4.2Å; L150-F153 HydrophobicContact CD2-CD2 3.85Å; L150-F153 HydrophobicContact CD2-CE1 4.06Å; L150-F153 HydrophobicContact CD2-CE2 3.69Å; L150-F153 HydrophobicContact CD2-CG 4.09Å; L150-F153 HydrophobicContact CD2-CZ 3.8Å; L150-F153 VanDerWaalsContact O-CB 3.28Å; L150-F153 WeakPolarHBondContact O-CB 3.38Å; L150-F153 PolarHBondContact O-N 2.86Å; F153-T157 HydrophobicContact CB-CG2 4.42Å; F153-T157 HydrophobicContact CD1-CG2 3.67Å; F153-T157 HydrophobicContact CE1-CG2 4.41Å; F153-T157 HydrophobicContact CG-CG2 4.47Å; F153-I158 HydrophobicContact CB-CG1 4.12Å; F153-I158 WeakPolarHBondContact O-CD1 3.38Å
154	D	89.9	Confident	92.7	Very high	83 Å²	83	46.7 Å²	46.7	44%	0.444	24%	0.24	S	C	.	.			trans	-64.8	152	173.8	63.1	99.4	0	0	0	110.6	G156 T157 I158	D154-G156 PolarHBondContact O-N 3.49Å; D154-G156 VanDerWaalsContact O-N 3.14Å; D154-G156 WeakPolarHBondContact OD1-CA 3.23Å; D154-G156 PolarHBondContact OD1-N 2.83Å; D154-T157 PolarHBondContact O-N 3.15Å; D154-T157 VanDerWaalsContact O-N 3.08Å; D154-T157 PolarHBondContact OD1-N 3.45Å; D154-T157 PolarHBondContact OD1-OG1 2.78Å; D154-T157 WeakPolarHBondContact OD2-CB 3.47Å; D154-T157 PolarHBondContact OD2-OG1 2.85Å; D154-I158 PolarHBondContact O-N 2.79Å
155	E	89.7	Confident	92.8	Very high	171 Å²	171	46.6 Å²	46.6	80%	0.799	24%	0.24	S	C	*	.	H	α-helix	trans	-57	-30.8	-179.3	-67.9	-173.8	163.5	0	0	112.7	I158 S159	E155-I158 PolarHBondContact O-N 3.09Å; E155-S159 WeakPolarHBondContact O-CB 3.44Å; E155-S159 PolarHBondContact O-N 2.93Å
156	G	91.9	Very high	92.8	Very high	44 Å²	44	46.9 Å²	46.9	45%	0.454	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-48.2	176.1	0	0	0	0	0	111.9	D154 K160	D154-G156 PolarHBondContact O-N 3.49Å; D154-G156 VanDerWaalsContact O-N 3.14Å; D154-G156 WeakPolarHBondContact OD1-CA 3.23Å; D154-G156 PolarHBondContact OD1-N 2.83Å; G156-K160 WeakPolarHBondContact O-CB 3.37Å; G156-K160 PolarHBondContact O-N 3.49Å
157	T	91.1	Very high	92.5	Very high	25 Å²	25	51.5 Å²	51.5	15%	0.153	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-42.7	175.3	-58.4	0	0	0	0	111.8	L125 F153 D154 K160 W161	L125-T157 HydrophobicContact CD2-CG2 4.21Å; F153-T157 HydrophobicContact CB-CG2 4.42Å; F153-T157 HydrophobicContact CD1-CG2 3.67Å; F153-T157 HydrophobicContact CE1-CG2 4.41Å; F153-T157 HydrophobicContact CG-CG2 4.47Å; D154-T157 PolarHBondContact O-N 3.15Å; D154-T157 VanDerWaalsContact O-N 3.08Å; D154-T157 PolarHBondContact OD1-N 3.45Å; D154-T157 PolarHBondContact OD1-OG1 2.78Å; D154-T157 WeakPolarHBondContact OD2-CB 3.47Å; D154-T157 PolarHBondContact OD2-OG1 2.85Å; T157-K160 PolarHBondContact O-N 2.91Å; T157-W161 PolarHBondContact O-N 3.48Å; T157-W161 VanDerWaalsContact O-N 3.07Å
158	I	91.6	Very high	91.9	Very high	33 Å²	33	53.4 Å²	53.4	17%	0.169	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-50.2	177.7	-64.1	171.2	0	0	0	110.3	L150 F153 D154 E155 K160 W161 K162 Y177	L150-I158 HydrophobicContact CB-CG1 4.36Å; F153-I158 HydrophobicContact CB-CG1 4.12Å; F153-I158 WeakPolarHBondContact O-CD1 3.38Å; D154-I158 PolarHBondContact O-N 2.79Å; E155-I158 PolarHBondContact O-N 3.09Å; I158-K160 VanDerWaalsContact C-N 3.28Å; I158-K160 PolarHBondContact O-N 2.78Å; I158-W161 CarbonylContact O-C 3.56Å; I158-W161 PolarHBondContact O-N 3.36Å; I158-W161 VanDerWaalsContact O-N 3.17Å; I158-K162 WeakPolarHBondContact O-CA 3.17Å; I158-K162 WeakPolarHBondContact O-CB 3.09Å; I158-K162 PolarHBondContact O-N 3.37Å; I158-Y177 HydrophobicContact CG2-CD2 3.8Å; I158-Y177 HydrophobicContact CG2-CE2 3.99Å; I158-Y177 HydrophobicContact CG2-CG 4.23Å
159	S	92.8	Very high	91	Very high	72 Å²	72	58.9 Å²	58.9	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-59.3	-40.1	179.9	-175.1	0	0	0	0	112.1	E155 K162	E155-S159 WeakPolarHBondContact O-CB 3.44Å; E155-S159 PolarHBondContact O-N 2.93Å; S159-K162 WeakPolarHBondContact O-CD 3.43Å; S159-K162 WeakPolarHBondContact O-CG 3.4Å
160	K	94.6	Very high	89.7	Confident	87 Å²	87	62.5 Å²	62.5	38%	0.378	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-38.4	176.8	175.6	-177.4	-74.3	-161	0	113.3	Q78 K79 G156 T157 I158	Q78-K160 WeakPolarHBondContact O-CE 3.37Å; Q78-K160 PolarHBondContact O-NZ 3.29Å; K79-K160 VanDerWaalsContact CE-O 3.29Å; K79-K160 WeakPolarHBondContact CE-O 3.4Å; K79-K160 HydrophobicContact CG-CD 4.42Å; K79-K160 HydrophobicContact CG-CG 3.84Å; G156-K160 WeakPolarHBondContact O-CB 3.37Å; G156-K160 PolarHBondContact O-N 3.49Å; T157-K160 PolarHBondContact O-N 2.91Å; I158-K160 VanDerWaalsContact C-N 3.28Å; I158-K160 PolarHBondContact O-N 2.78Å
161	W	95.7	Very high	88.3	Confident	3 Å²	3	71.5 Å²	71.5	1%	0.011	37%	0.371	C	S	.	.	H	α-helix	trans	-107.2	3.8	-174	-70.5	104.7	0	0	0	114.4	K79 A124 L125 L150 T157 I158 D163 C164 C165 F179 V184 W187	K79-W161 HydrophobicContact CB-CH2 3.9Å; K79-W161 HydrophobicContact CB-CZ2 3.79Å; K79-W161 HydrophobicContact CD-CD2 4.31Å; K79-W161 HydrophobicContact CD-CE3 3.96Å; K79-W161 HydrophobicContact CD-CH2 4.11Å; K79-W161 HydrophobicContact CD-CZ2 4.42Å; K79-W161 HydrophobicContact CD-CZ3 3.87Å; K79-W161 HydrophobicContact CG-CZ2 4.49Å; K79-W161 WeakPolarHBondContact O-CZ2 3.33Å; A124-W161 HydrophobicContact CB-CH2 3.81Å; A124-W161 HydrophobicContact CB-CZ2 4.24Å; A124-W161 VanDerWaalsContact O-CZ2 3.23Å; A124-W161 WeakPolarHBondContact O-CZ2 3.48Å; L125-W161 HydrophobicContact CD2-CZ2 4.5Å; L150-W161 HydrophobicContact CD1-CB 4.28Å; T157-W161 PolarHBondContact O-N 3.48Å; T157-W161 VanDerWaalsContact O-N 3.07Å; I158-W161 CarbonylContact O-C 3.56Å; I158-W161 PolarHBondContact O-N 3.36Å; I158-W161 VanDerWaalsContact O-N 3.17Å; W161-D163 PolarHBondContact O-N 3.33Å; W161-C164 HydrophobicContact CE3-CB 3.84Å; W161-C164 HydrophobicContact CZ3-CB 4.43Å; W161-C164 CarbonylContact O-C 3.54Å; W161-C164 WeakPolarHBondContact O-CA 3.34Å; W161-C164 WeakPolarHBondContact O-CB 3.47Å; W161-C164 PolarHBondContact O-N 3.17Å; W161-C165 PolarHBondContact O-N 3.27Å; W161-C165 PolarHBondContact O-SG 3.47Å; W161-F179 HydrophobicContact CB-CD2 4.37Å; W161-F179 HydrophobicContact CB-CE2 4.04Å; W161-F179 AromaticContact CD2-CE2 3.55Å; W161-F179 HydrophobicContact CD2-CE2 3.55Å; W161-F179 HydrophobicContact CD2-CZ 4.08Å; W161-F179 AromaticContact CE3-CE2 3.44Å; W161-F179 HydrophobicContact CE3-CE2 3.44Å; W161-F179 VanDerWaalsContact CE3-CE2 3.44Å; W161-F179 AromaticContact CE3-CZ 3.88Å; W161-F179 HydrophobicContact CE3-CZ 3.88Å; W161-F179 AromaticContact CG-CE2 3.84Å; W161-F179 HydrophobicContact CG-CE2 3.84Å; W161-F179 HydrophobicContact CH2-CZ 4.32Å; W161-F179 HydrophobicContact CZ3-CE2 4.03Å; W161-F179 AromaticContact CZ3-CZ 4Å; W161-F179 HydrophobicContact CZ3-CZ 4Å; W161-V184 HydrophobicContact CE3-CG2 4.39Å; W161-V184 HydrophobicContact CZ3-CG1 4.31Å; W161-V184 HydrophobicContact CZ3-CG2 4.13Å; W161-W187 HydrophobicContact CH2-CE3 4.02Å; W161-W187 HydrophobicContact CH2-CH2 4.1Å; W161-W187 AromaticContact CH2-CZ3 3.68Å; W161-W187 HydrophobicContact CH2-CZ3 3.68Å; W161-W187 HydrophobicContact CZ3-CD2 4.37Å; W161-W187 AromaticContact CZ3-CE3 3.86Å; W161-W187 HydrophobicContact CZ3-CE3 3.86Å; W161-W187 HydrophobicContact CZ3-CZ3 4.01Å
162	K	93.4	Very high	87.5	Confident	101 Å²	101	71.6 Å²	71.6	44%	0.439	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-52.9	-40.8	-176.5	71.7	-173.5	-177.2	175.3	0	113	I158 S159 C164 C165	I158-K162 WeakPolarHBondContact O-CA 3.17Å; I158-K162 WeakPolarHBondContact O-CB 3.09Å; I158-K162 PolarHBondContact O-N 3.37Å; S159-K162 WeakPolarHBondContact O-CD 3.43Å; S159-K162 WeakPolarHBondContact O-CG 3.4Å; K162-C164 PolarHBondContact O-N 2.97Å; K162-C165 WeakPolarHBondContact O-CB 3.42Å; K162-C165 PolarHBondContact O-N 2.96Å; K162-C165 VanDerWaalsContact O-N 3.1Å
163	D	95.3	Very high	86.5	Confident	113 Å²	113	71.7 Å²	71.7	60%	0.604	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-72.3	-19.6	-178.2	-56.3	-39.1	0	0	0	111.7	W161	W161-D163 PolarHBondContact O-N 3.33Å
164	C	97.5	Very high	85.6	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.02	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-98.3	16.6	174.5	-56.6	0	0	0	0	112.5	W161 K162 S180 K183 V184	W161-C164 HydrophobicContact CE3-CB 3.84Å; W161-C164 HydrophobicContact CZ3-CB 4.43Å; W161-C164 CarbonylContact O-C 3.54Å; W161-C164 WeakPolarHBondContact O-CA 3.34Å; W161-C164 WeakPolarHBondContact O-CB 3.47Å; W161-C164 PolarHBondContact O-N 3.17Å; K162-C164 PolarHBondContact O-N 2.97Å; C164-S180 WeakPolarHBondContact O-CB 3.47Å; C164-S180 PolarHBondContact O-N 3.11Å; C164-K183 HydrophobicContact CB-CB 4.28Å; C164-V184 HydrophobicContact CB-CG2 3.85Å
165	C	96.4	Very high	85.1	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.02	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	151.4	177	-66.8	0	0	0	0	112	L150 W161 K162 Y177 F178 K183	L150-C165 VanDerWaalsContact CD1-SG 3.51Å; W161-C165 PolarHBondContact O-N 3.27Å; W161-C165 PolarHBondContact O-SG 3.47Å; K162-C165 WeakPolarHBondContact O-CB 3.42Å; K162-C165 PolarHBondContact O-N 2.96Å; K162-C165 VanDerWaalsContact O-N 3.1Å; C165-Y177 HydrophobicContact CB-CD1 3.96Å; C165-F178 CarbonylContact C-O 3.42Å; C165-F178 WeakPolarHBondContact CA-O 3.34Å; C165-F178 WeakPolarHBondContact CB-O 3.48Å; C165-K183 PolarHBondContact O-NZ 2.86Å
166	T	94.7	Very high	84.9	Confident	19 Å²	19	65 Å²	65	12%	0.117	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	155.1	156.8	57.1	0	0	0	0	109	F178 D284 N285	T166-F178 PolarHBondContact N-O 3.05Å; T166-F178 PolarHBondContact O-N 2.87Å; T166-D284 HydrophobicContact CG2-CB 3.85Å; T166-N285 PolarHBondContact OG1-ND2 2.64Å
167	I	89.9	Confident	84.9	Confident	97 Å²	97	66.4 Å²	66.4	50%	0.497	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.4	-174.3	-59.7	176.1	0	0	0	108.9	T175 Y177	I167-T175 HydrophobicContact CG2-CG2 3.31Å; I167-Y177 HydrophobicContact CD1-CE1 4.12Å; I167-Y177 HydrophobicContact CG1-CD1 4.14Å; I167-Y177 HydrophobicContact CG1-CE1 4.11Å
168	V	81.9	Confident	85	Confident	55 Å²	55	65.6 Å²	65.6	33%	0.333	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	116.3	169.3	-177	0	0	0	0	108.2	W147 N176 F178	W147-V168 HydrophobicContact CZ3-CG2 4.47Å; V168-N176 PolarHBondContact N-O 3.17Å; V168-N176 VanDerWaalsContact N-O 3.08Å; V168-N176 PolarHBondContact O-N 2.84Å; V168-F178 HydrophobicContact CB-CD2 4.42Å; V168-F178 HydrophobicContact CB-CE2 4.02Å; V168-F178 HydrophobicContact CG2-CD2 3.96Å; V168-F178 HydrophobicContact CG2-CE2 3.87Å
169	D	76.2	Confident	85.3	Confident	115 Å²	115	64 Å²	64	62%	0.615	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.1	175.8	-64.1	-45.4	0	0	0	110.3	T175	D169-T175 PolarHBondContact OD1-OG1 2.98Å
170	H	65.3	Low	85.5	Confident	82 Å²	82	60.6 Å²	60.6	38%	0.38	33%	0.331	S	S	.	.			trans	-90.2	154.8	173.1	-76	-70.8	0	0	0	112	N172 G173 A174 N176	H170-N172 WeakPolarHBondContact CB-OD1 3.21Å; H170-N172 PolarHBondContact O-N 3.33Å; H170-G173 PolarHBondContact O-N 2.88Å; H170-A174 WeakPolarHBondContact CB-O 3.44Å; H170-A174 PolarHBondContact N-O 3.33Å; H170-N176 PolarHBondContact CD2-ND2 3.43Å; H170-N176 PolarHBondContact NE2-ND2 3.44Å
171	I	63.3	Low	85.7	Confident	188 Å²	188	56.5 Å²	56.5	96%	0.964	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.5	177.4	-57.9	168.3	0	0	0	111.9	G173	I171-G173 VanDerWaalsContact C-N 3.29Å; I171-G173 PolarHBondContact O-N 3.02Å
172	N	68.7	Low	85.7	Confident	130 Å²	130	57.7 Å²	57.7	70%	0.695	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	5.2	176.6	66.1	0.9	0	0	0	114.2	H170 A174	H170-N172 WeakPolarHBondContact CB-OD1 3.21Å; H170-N172 PolarHBondContact O-N 3.33Å; N172-A174 WeakPolarHBondContact OD1-CB 3.44Å; N172-A174 PolarHBondContact OD1-N 3.23Å; N172-A174 VanDerWaalsContact OD1-N 3.13Å
173	G	65.6	Low	85.9	Confident	67 Å²	67	56.5 Å²	56.5	69%	0.691	32%	0.316	S	S	*	.	S	Bend	trans	82.4	3	179.8	0	0	0	0	0	115.3	H170 I171	H170-G173 PolarHBondContact O-N 2.88Å; I171-G173 VanDerWaalsContact C-N 3.29Å; I171-G173 PolarHBondContact O-N 3.02Å
174	A	72.6	Confident	86.1	Confident	46 Å²	46	51.1 Å²	51.1	38%	0.38	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-85.2	125.1	175.7	0	0	0	0	0	111.4	H170 N172	H170-A174 WeakPolarHBondContact CB-O 3.44Å; H170-A174 PolarHBondContact N-O 3.33Å; N172-A174 WeakPolarHBondContact OD1-CB 3.44Å; N172-A174 PolarHBondContact OD1-N 3.23Å; N172-A174 VanDerWaalsContact OD1-N 3.13Å
175	T	78.3	Confident	86.1	Confident	60 Å²	60	51 Å²	51	37%	0.368	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.9	176	-59.2	0	0	0	0	110.4	I167 D169 Y177	I167-T175 HydrophobicContact CG2-CG2 3.31Å; D169-T175 PolarHBondContact OD1-OG1 2.98Å; T175-Y177 HydrophobicContact CG2-CE2 4.31Å
176	N	85.5	Confident	86.2	Confident	22 Å²	22	53.9 Å²	53.9	12%	0.118	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.2	175.2	-88.3	-31.9	0	0	0	111.5	R151 V168 H170 F178	R151-N176 WeakPolarHBondContact CB-OD1 3.32Å; V168-N176 PolarHBondContact N-O 3.17Å; V168-N176 VanDerWaalsContact N-O 3.08Å; V168-N176 PolarHBondContact O-N 2.84Å; H170-N176 PolarHBondContact CD2-ND2 3.43Å; H170-N176 PolarHBondContact NE2-ND2 3.44Å; N176-F178 HydrophobicContact CB-CD2 4.43Å; N176-F178 HydrophobicContact CB-CE2 3.81Å; N176-F178 HydrophobicContact CB-CZ 4.41Å
177	Y	91.9	Very high	86.3	Confident	73 Å²	73	54.3 Å²	54.3	29%	0.286	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.3	173.1	-63.5	-85.1	0	0	0	110.2	L150 I158 C165 I167 T175	L150-Y177 PolarHBondContact N-O 2.81Å; I158-Y177 HydrophobicContact CG2-CD2 3.8Å; I158-Y177 HydrophobicContact CG2-CE2 3.99Å; I158-Y177 HydrophobicContact CG2-CG 4.23Å; C165-Y177 HydrophobicContact CB-CD1 3.96Å; I167-Y177 HydrophobicContact CD1-CE1 4.12Å; I167-Y177 HydrophobicContact CG1-CD1 4.14Å; I167-Y177 HydrophobicContact CG1-CE1 4.11Å; T175-Y177 HydrophobicContact CG2-CE2 4.31Å
178	F	94.8	Very high	86.7	Confident	9 Å²	9	49.7 Å²	49.7	4%	0.039	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.5	174.1	-70.2	-86.3	0	0	0	110.2	D137 W147 L148 C165 T166 V168 N176 S180	D137-F178 HydrophobicContact CB-CE1 4.45Å; W147-F178 HydrophobicContact CB-CD1 3.8Å; W147-F178 HydrophobicContact CB-CE1 4.13Å; W147-F178 AromaticContact CE3-CD1 3.88Å; W147-F178 HydrophobicContact CE3-CD1 3.88Å; W147-F178 HydrophobicContact CE3-CD2 4.37Å; W147-F178 AromaticContact CE3-CE1 3.86Å; W147-F178 HydrophobicContact CE3-CE1 3.86Å; W147-F178 HydrophobicContact CE3-CE2 4.37Å; W147-F178 HydrophobicContact CE3-CG 4.11Å; W147-F178 HydrophobicContact CE3-CZ 4.11Å; L148-F178 WeakPolarHBondContact O-CA 3.38Å; C165-F178 CarbonylContact C-O 3.42Å; C165-F178 WeakPolarHBondContact CA-O 3.34Å; C165-F178 WeakPolarHBondContact CB-O 3.48Å; T166-F178 PolarHBondContact N-O 3.05Å; T166-F178 PolarHBondContact O-N 2.87Å; V168-F178 HydrophobicContact CB-CD2 4.42Å; V168-F178 HydrophobicContact CB-CE2 4.02Å; V168-F178 HydrophobicContact CG2-CD2 3.96Å; V168-F178 HydrophobicContact CG2-CE2 3.87Å; N176-F178 HydrophobicContact CB-CD2 4.43Å; N176-F178 HydrophobicContact CB-CE2 3.81Å; N176-F178 HydrophobicContact CB-CZ 4.41Å; F178-S180 PolarHBondContact O-N 3.2Å
179	F	96.8	Very high	87.5	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	117.7	-177	-164.9	-122.6	0	0	0	110.4	A124 L125 L148 L150 W161 V184 V239 W287	A124-F179 HydrophobicContact CB-CZ 4.23Å; L125-F179 HydrophobicContact CD1-CD1 3.87Å; L125-F179 HydrophobicContact CD1-CD2 4.07Å; L125-F179 HydrophobicContact CD1-CE1 3.68Å; L125-F179 HydrophobicContact CD1-CE2 3.88Å; L125-F179 HydrophobicContact CD1-CG 4.05Å; L125-F179 HydrophobicContact CD1-CZ 3.67Å; L125-F179 HydrophobicContact CG-CE1 4.03Å; L125-F179 HydrophobicContact CG-CE2 4.29Å; L125-F179 HydrophobicContact CG-CZ 3.79Å; L148-F179 HydrophobicContact CB-CB 4.12Å; L148-F179 HydrophobicContact CD2-CB 3.98Å; L148-F179 HydrophobicContact CD2-CD1 3.9Å; L148-F179 HydrophobicContact CD2-CG 4.25Å; L148-F179 HydrophobicContact CG-CB 4.14Å; L148-F179 PolarHBondContact O-N 3.33Å; L150-F179 HydrophobicContact CD1-CB 4.4Å; L150-F179 HydrophobicContact CD1-CD2 4.1Å; L150-F179 HydrophobicContact CD2-CB 4.08Å; L150-F179 HydrophobicContact CG-CB 4.19Å; W161-F179 HydrophobicContact CB-CD2 4.37Å; W161-F179 HydrophobicContact CB-CE2 4.04Å; W161-F179 AromaticContact CD2-CE2 3.55Å; W161-F179 HydrophobicContact CD2-CE2 3.55Å; W161-F179 HydrophobicContact CD2-CZ 4.08Å; W161-F179 AromaticContact CE3-CE2 3.44Å; W161-F179 HydrophobicContact CE3-CE2 3.44Å; W161-F179 VanDerWaalsContact CE3-CE2 3.44Å; W161-F179 AromaticContact CE3-CZ 3.88Å; W161-F179 HydrophobicContact CE3-CZ 3.88Å; W161-F179 AromaticContact CG-CE2 3.84Å; W161-F179 HydrophobicContact CG-CE2 3.84Å; W161-F179 HydrophobicContact CH2-CZ 4.32Å; W161-F179 HydrophobicContact CZ3-CE2 4.03Å; W161-F179 AromaticContact CZ3-CZ 4Å; W161-F179 HydrophobicContact CZ3-CZ 4Å; F179-V184 HydrophobicContact CD1-CG2 4.3Å; F179-V184 HydrophobicContact CD2-CG2 4.14Å; F179-V184 HydrophobicContact CE1-CG2 3.69Å; F179-V184 HydrophobicContact CE2-CG2 3.51Å; F179-V184 HydrophobicContact CZ-CB 4.43Å; F179-V184 HydrophobicContact CZ-CG1 4.3Å; F179-V184 HydrophobicContact CZ-CG2 3.27Å; F179-V239 HydrophobicContact CD1-CG2 3.78Å; F179-V239 HydrophobicContact CE1-CG2 3.64Å; F179-W287 AromaticContact CD1-CE2 3.98Å; F179-W287 HydrophobicContact CD1-CH2 4.2Å; F179-W287 AromaticContact CD1-CZ2 3.39Å; F179-W287 HydrophobicContact CD1-CZ2 3.39Å; F179-W287 HydrophobicContact CE1-CH2 4.03Å; F179-W287 AromaticContact CE1-CZ2 3.67Å; F179-W287 HydrophobicContact CE1-CZ2 3.67Å; F179-W287 HydrophobicContact CG-CZ2 4.38Å; F179-W287 PolarHBondContact O-NE1 2.8Å
180	S	97.7	Very high	88.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.			trans	-97.2	119	-168.4	-179.7	0	0	0	0	111.7	C164 F178 T182 K183 V184 D284	C164-S180 WeakPolarHBondContact O-CB 3.47Å; C164-S180 PolarHBondContact O-N 3.11Å; F178-S180 PolarHBondContact O-N 3.2Å; S180-T182 VanDerWaalsContact C-N 3.34Å; S180-T182 PolarHBondContact O-N 2.9Å; S180-T182 PolarHBondContact OG-OG1 3.41Å; S180-K183 WeakPolarHBondContact OG-CG 3.36Å; S180-V184 WeakPolarHBondContact O-CB 3.26Å; S180-V184 WeakPolarHBondContact O-CG2 3.34Å; S180-V184 PolarHBondContact O-N 3.41Å; S180-D284 VanDerWaalsContact CA-O 3.24Å; S180-D284 WeakPolarHBondContact CA-O 3.37Å; S180-D284 WeakPolarHBondContact CB-O 3.5Å; S180-D284 PolarHBondContact OG-O 3.38Å
181	P	97.3	Very high	90.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-63.6	-38.1	-178.8	24.6	-32.1	0	0	0	113	A185 P275 K283 D284 E286 W287	P181-A185 WeakPolarHBondContact O-CB 3.49Å; P181-A185 PolarHBondContact O-N 3.12Å; P181-P275 HydrophobicContact CB-CB 3.5Å; P181-P275 VanDerWaalsContact CB-CB 3.5Å; P181-K283 VanDerWaalsContact CG-O 3.32Å; P181-K283 WeakPolarHBondContact CG-O 3.33Å; P181-D284 WeakPolarHBondContact CD-O 3.41Å; P181-E286 WeakPolarHBondContact CG-O 3.45Å; P181-W287 HydrophobicContact CB-CD2 3.92Å; P181-W287 HydrophobicContact CB-CE3 4.06Å; P181-W287 HydrophobicContact CB-CH2 3.77Å; P181-W287 HydrophobicContact CB-CZ2 3.61Å; P181-W287 HydrophobicContact CB-CZ3 3.99Å; P181-W287 HydrophobicContact CG-CD2 4.39Å; P181-W287 HydrophobicContact CG-CZ2 4.4Å
182	T	97.1	Very high	91.8	Very high	28 Å²	28	36.2 Å²	36.2	17%	0.172	21%	0.205	C	C	.	.	H	α-helix	trans	-66.7	-50.6	178.9	52.3	0	0	0	0	111.2	S180 V184 A185 D186 T218 K283 D284	S180-T182 VanDerWaalsContact C-N 3.34Å; S180-T182 PolarHBondContact O-N 2.9Å; S180-T182 PolarHBondContact OG-OG1 3.41Å; T182-V184 VanDerWaalsContact C-N 3.29Å; T182-V184 PolarHBondContact O-N 3.09Å; T182-A185 WeakPolarHBondContact O-CB 3.32Å; T182-A185 PolarHBondContact O-N 3.12Å; T182-A185 VanDerWaalsContact O-N 3.1Å; T182-D186 VanDerWaalsContact O-CG 3.29Å; T182-D186 PolarHBondContact O-N 3.12Å; T182-T218 HydrophobicContact CG2-CG2 4.08Å; T182-K283 HydrophobicContact CG2-CB 4.44Å; T182-D284 WeakPolarHBondContact CB-OD1 3.21Å; T182-D284 WeakPolarHBondContact CG2-OD1 3.47Å; T182-D284 PolarHBondContact OG1-OD1 2.8Å
183	K	98.2	Very high	93.2	Very high	76 Å²	76	31.8 Å²	31.8	33%	0.33	18%	0.184	S	C	.	.	H	α-helix	trans	-65.6	-31.7	178.3	-58.9	-176.8	175.4	-167.3	0	113.2	C164 C165 S180 W187	C164-K183 HydrophobicContact CB-CB 4.28Å; C165-K183 PolarHBondContact O-NZ 2.86Å; S180-K183 WeakPolarHBondContact OG-CG 3.36Å; K183-W187 WeakPolarHBondContact O-CB 3.3Å; K183-W187 PolarHBondContact O-N 2.81Å; K183-W187 VanDerWaalsContact O-N 3.09Å
184	V	98.3	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-44	172.3	172	0	0	0	0	110.1	A124 W161 C164 F179 S180 T182 F188 P237	A124-V184 HydrophobicContact CB-CG1 3.89Å; W161-V184 HydrophobicContact CE3-CG2 4.39Å; W161-V184 HydrophobicContact CZ3-CG1 4.31Å; W161-V184 HydrophobicContact CZ3-CG2 4.13Å; C164-V184 HydrophobicContact CB-CG2 3.85Å; F179-V184 HydrophobicContact CD1-CG2 4.3Å; F179-V184 HydrophobicContact CD2-CG2 4.14Å; F179-V184 HydrophobicContact CE1-CG2 3.69Å; F179-V184 HydrophobicContact CE2-CG2 3.51Å; F179-V184 HydrophobicContact CZ-CB 4.43Å; F179-V184 HydrophobicContact CZ-CG1 4.3Å; F179-V184 HydrophobicContact CZ-CG2 3.27Å; S180-V184 WeakPolarHBondContact O-CB 3.26Å; S180-V184 WeakPolarHBondContact O-CG2 3.34Å; S180-V184 PolarHBondContact O-N 3.41Å; T182-V184 VanDerWaalsContact C-N 3.29Å; T182-V184 PolarHBondContact O-N 3.09Å; V184-F188 VanDerWaalsContact O-CB 3.24Å; V184-F188 WeakPolarHBondContact O-CB 3.43Å; V184-F188 PolarHBondContact O-N 3.01Å; V184-P237 HydrophobicContact CG1-CB 3.86Å; V184-P237 HydrophobicContact CG1-CG 4.3Å
185	A	97.6	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-38.5	176.2	0	0	0	0	0	112.7	P181 T182 F188 Y189 T218 P237	P181-A185 WeakPolarHBondContact O-CB 3.49Å; P181-A185 PolarHBondContact O-N 3.12Å; T182-A185 WeakPolarHBondContact O-CB 3.32Å; T182-A185 PolarHBondContact O-N 3.12Å; T182-A185 VanDerWaalsContact O-N 3.1Å; A185-F188 PolarHBondContact O-N 3.16Å; A185-Y189 WeakPolarHBondContact O-CB 3.46Å; A185-Y189 PolarHBondContact O-N 3.48Å; A185-T218 HydrophobicContact CB-CG2 4.22Å; A185-P237 HydrophobicContact CB-CG 4.13Å
186	D	98.1	Very high	96.7	Very high	64 Å²	64	28.4 Å²	28.4	34%	0.342	14%	0.141	S	C	.	.	H	α-helix	trans	-58.7	-56.4	174.2	-68.4	-19.6	0	0	0	111.1	T182 F188 Y189 D190 K215	T182-D186 VanDerWaalsContact O-CG 3.29Å; T182-D186 PolarHBondContact O-N 3.12Å; D186-F188 PolarHBondContact O-N 3.2Å; D186-Y189 PolarHBondContact O-N 3.27Å; D186-D190 PolarHBondContact O-N 2.82Å; D186-K215 IonicContact OD1-NZ 3.37Å; D186-K215 PolarHBondContact OD1-NZ 3.23Å
187	W	98.2	Very high	97.1	Very high	27 Å²	27	29.6 Å²	29.6	10%	0.102	15%	0.151	C	C	.	.	H	α-helix	trans	-55.3	-42.6	176.7	160.6	75.2	0	0	0	111.9	D77 K79 L80 W161 K183 D190 S191	D77-W187 PolarHBondContact OD2-NE1 2.89Å; K79-W187 HydrophobicContact CB-CH2 3.77Å; K79-W187 HydrophobicContact CB-CZ2 3.47Å; K79-W187 VanDerWaalsContact CB-CZ2 3.47Å; K79-W187 HydrophobicContact CD-CD2 4.02Å; K79-W187 HydrophobicContact CD-CG 4.4Å; K79-W187 HydrophobicContact CD-CZ2 3.87Å; K79-W187 HydrophobicContact CG-CZ2 4.1Å; K79-W187 VanDerWaalsContact NZ-CD1 3.28Å; L80-W187 HydrophobicContact CD2-CH2 3.78Å; L80-W187 HydrophobicContact CD2-CZ3 4.14Å; L80-W187 HydrophobicContact CG-CH2 3.92Å; W161-W187 HydrophobicContact CH2-CE3 4.02Å; W161-W187 HydrophobicContact CH2-CH2 4.1Å; W161-W187 AromaticContact CH2-CZ3 3.68Å; W161-W187 HydrophobicContact CH2-CZ3 3.68Å; W161-W187 HydrophobicContact CZ3-CD2 4.37Å; W161-W187 AromaticContact CZ3-CE3 3.86Å; W161-W187 HydrophobicContact CZ3-CE3 3.86Å; W161-W187 HydrophobicContact CZ3-CZ3 4.01Å; K183-W187 WeakPolarHBondContact O-CB 3.3Å; K183-W187 PolarHBondContact O-N 2.81Å; K183-W187 VanDerWaalsContact O-N 3.09Å; W187-D190 PolarHBondContact O-N 3.33Å; W187-S191 PolarHBondContact NE1-OG 2.74Å; W187-S191 WeakPolarHBondContact O-CB 3.31Å; W187-S191 PolarHBondContact O-N 2.99Å; W187-S191 PolarHBondContact O-OG 3.12Å
188	F	98.4	Very high	97.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-69.6	-40.9	-175.4	-171.2	-144.6	0	0	0	111.5	L70 V73 L80 V122 V184 A185 D186 S191 I192 I220 I235 P237	L70-F188 HydrophobicContact CD2-CE2 3.8Å; L70-F188 HydrophobicContact CD2-CZ 3.56Å; V73-F188 HydrophobicContact CG1-CD2 4.26Å; V73-F188 HydrophobicContact CG1-CE2 4.12Å; L80-F188 HydrophobicContact CD1-CE2 4.21Å; V122-F188 HydrophobicContact CB-CE1 4.15Å; V122-F188 HydrophobicContact CB-CZ 4.02Å; V122-F188 HydrophobicContact CG1-CE1 4.3Å; V122-F188 HydrophobicContact CG1-CE2 4.42Å; V122-F188 HydrophobicContact CG1-CZ 3.74Å; V122-F188 HydrophobicContact CG2-CE1 4.33Å; V122-F188 HydrophobicContact CG2-CZ 4.1Å; V184-F188 VanDerWaalsContact O-CB 3.24Å; V184-F188 WeakPolarHBondContact O-CB 3.43Å; V184-F188 PolarHBondContact O-N 3.01Å; A185-F188 PolarHBondContact O-N 3.16Å; D186-F188 PolarHBondContact O-N 3.2Å; F188-S191 PolarHBondContact O-N 3.1Å; F188-I192 HydrophobicContact CD1-CD1 4.17Å; F188-I192 HydrophobicContact CD2-CD1 4.07Å; F188-I192 HydrophobicContact CD2-CG1 4.18Å; F188-I192 HydrophobicContact CE1-CD1 3.94Å; F188-I192 HydrophobicContact CE2-CD1 3.8Å; F188-I192 HydrophobicContact CE2-CG1 4Å; F188-I192 HydrophobicContact CG-CD1 4.23Å; F188-I192 HydrophobicContact CZ-CD1 3.74Å; F188-I192 HydrophobicContact CZ-CG1 4.41Å; F188-I192 WeakPolarHBondContact O-CB 3.26Å; F188-I192 VanDerWaalsContact O-CG1 3.27Å; F188-I192 WeakPolarHBondContact O-CG1 3.46Å; F188-I192 PolarHBondContact O-N 2.7Å; F188-I220 HydrophobicContact CD1-CD1 3.73Å; F188-I220 HydrophobicContact CE1-CD1 4.38Å; F188-I235 HydrophobicContact CE1-CG2 3.66Å; F188-I235 HydrophobicContact CZ-CG2 3.97Å; F188-P237 HydrophobicContact CD1-CB 3.82Å; F188-P237 HydrophobicContact CD1-CG 4.02Å; F188-P237 HydrophobicContact CE1-CB 4.31Å
189	Y	98.5	Very high	97	Very high	61 Å²	61	31.3 Å²	31.3	24%	0.239	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-45.8	173	174.4	-104.9	0	0	0	112.2	A185 D186 S191 I192 S193 V213 K215 I220	A185-Y189 WeakPolarHBondContact O-CB 3.46Å; A185-Y189 PolarHBondContact O-N 3.48Å; D186-Y189 PolarHBondContact O-N 3.27Å; Y189-S191 VanDerWaalsContact C-N 3.32Å; Y189-S191 PolarHBondContact O-N 2.9Å; Y189-I192 PolarHBondContact O-N 3Å; Y189-S193 WeakPolarHBondContact O-CB 3.21Å; Y189-S193 PolarHBondContact O-N 3.13Å; Y189-S193 PolarHBondContact O-OG 2.89Å; Y189-V213 HydrophobicContact CE2-CG1 4.07Å; Y189-K215 HydrophobicContact CD1-CB 4.26Å; Y189-K215 HydrophobicContact CD1-CD 4.35Å; Y189-K215 HydrophobicContact CD2-CB 3.64Å; Y189-K215 HydrophobicContact CD2-CG 4.44Å; Y189-K215 HydrophobicContact CE2-CB 3.91Å; Y189-K215 HydrophobicContact CG-CB 3.81Å; Y189-K215 HydrophobicContact CG-CD 4.04Å; Y189-K215 HydrophobicContact CG-CG 4.29Å; Y189-I220 HydrophobicContact CD2-CG1 4.17Å; Y189-I220 HydrophobicContact CD2-CG2 4.09Å
190	D	98.3	Very high	96.5	Very high	89 Å²	89	36.5 Å²	36.5	48%	0.476	19%	0.186	S	C	.	.	H	α-helix	trans	-61.2	-43.9	178.1	-68.1	-17.4	0	0	0	110.8	D186 W187 S193 I194	D186-D190 PolarHBondContact O-N 2.82Å; W187-D190 PolarHBondContact O-N 3.33Å; D190-S193 PolarHBondContact O-N 3.44Å; D190-I194 WeakPolarHBondContact O-CG1 3.26Å; D190-I194 PolarHBondContact O-N 3.41Å
191	S	98.3	Very high	96.1	Very high	7 Å²	7	42.9 Å²	42.9	5%	0.049	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-46	177.8	-55.6	0	0	0	0	112.3	W187 F188 Y189 S193 I194 V195	W187-S191 PolarHBondContact NE1-OG 2.74Å; W187-S191 WeakPolarHBondContact O-CB 3.31Å; W187-S191 PolarHBondContact O-N 2.99Å; W187-S191 PolarHBondContact O-OG 3.12Å; F188-S191 PolarHBondContact O-N 3.1Å; Y189-S191 VanDerWaalsContact C-N 3.32Å; Y189-S191 PolarHBondContact O-N 2.9Å; S191-S193 VanDerWaalsContact C-N 3.3Å; S191-S193 PolarHBondContact O-N 3.48Å; S191-I194 PolarHBondContact O-N 2.98Å; S191-V195 WeakPolarHBondContact O-CG2 3.48Å; S191-V195 PolarHBondContact O-N 3.49Å
192	I	98.2	Very high	95.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59	-45.4	174.4	-73.1	172.5	0	0	0	109.9	M69 V73 F188 Y189 I194 V195 L196 V213 I220 I222	M69-I192 HydrophobicContact CE-CD1 4.29Å; M69-I192 HydrophobicContact CE-CG1 4.11Å; M69-I192 HydrophobicContact CE-CG2 4.29Å; M69-I192 HydrophobicContact SD-CB 4.37Å; M69-I192 HydrophobicContact SD-CG1 3.85Å; M69-I192 HydrophobicContact SD-CG2 4.18Å; V73-I192 HydrophobicContact CG2-CG1 4.08Å; F188-I192 HydrophobicContact CD1-CD1 4.17Å; F188-I192 HydrophobicContact CD2-CD1 4.07Å; F188-I192 HydrophobicContact CD2-CG1 4.18Å; F188-I192 HydrophobicContact CE1-CD1 3.94Å; F188-I192 HydrophobicContact CE2-CD1 3.8Å; F188-I192 HydrophobicContact CE2-CG1 4Å; F188-I192 HydrophobicContact CG-CD1 4.23Å; F188-I192 HydrophobicContact CZ-CD1 3.74Å; F188-I192 HydrophobicContact CZ-CG1 4.41Å; F188-I192 WeakPolarHBondContact O-CB 3.26Å; F188-I192 VanDerWaalsContact O-CG1 3.27Å; F188-I192 WeakPolarHBondContact O-CG1 3.46Å; F188-I192 PolarHBondContact O-N 2.7Å; Y189-I192 PolarHBondContact O-N 3Å; I192-I194 PolarHBondContact O-N 3.36Å; I192-V195 PolarHBondContact O-N 3.14Å; I192-L196 HydrophobicContact CG2-CD1 3.57Å; I192-L196 HydrophobicContact CG2-CG 4.06Å; I192-L196 WeakPolarHBondContact O-CB 3.3Å; I192-L196 VanDerWaalsContact O-CG 3.28Å; I192-L196 WeakPolarHBondContact O-CG 3.16Å; I192-L196 PolarHBondContact O-N 2.92Å; I192-V213 HydrophobicContact CG2-CG1 4.41Å; I192-I220 HydrophobicContact CD1-CG2 4.18Å; I192-I222 HydrophobicContact CG2-CD1 4.1Å
193	S	97.8	Very high	94.7	Very high	38 Å²	38	54.6 Å²	54.6	27%	0.266	27%	0.273	S	S	.	.	H	α-helix	trans	-62.4	-42.7	-178.1	-61.4	0	0	0	0	111.9	Y189 D190 S191 S197	Y189-S193 WeakPolarHBondContact O-CB 3.21Å; Y189-S193 PolarHBondContact O-N 3.13Å; Y189-S193 PolarHBondContact O-OG 2.89Å; D190-S193 PolarHBondContact O-N 3.44Å; S191-S193 VanDerWaalsContact C-N 3.3Å; S191-S193 PolarHBondContact O-N 3.48Å; S193-S197 WeakPolarHBondContact O-CB 3.47Å; S193-S197 PolarHBondContact O-N 3.05Å
194	I	97.1	Very high	93.8	Very high	89 Å²	89	58.3 Å²	58.3	46%	0.456	29%	0.291	S	S	.	.	H	α-helix	trans	-59.2	-53.4	173.7	-69.2	164.4	0	0	0	110.1	L76 D190 S191 I192 L196 S197 E198	L76-I194 HydrophobicContact CD1-CB 4.28Å; L76-I194 HydrophobicContact CD1-CG2 4.04Å; L76-I194 HydrophobicContact CD2-CG2 4.38Å; D190-I194 WeakPolarHBondContact O-CG1 3.26Å; D190-I194 PolarHBondContact O-N 3.41Å; S191-I194 PolarHBondContact O-N 2.98Å; I192-I194 PolarHBondContact O-N 3.36Å; I194-L196 PolarHBondContact O-N 3.1Å; I194-S197 PolarHBondContact O-N 3.05Å; I194-S197 PolarHBondContact O-OG 3.17Å; I194-E198 PolarHBondContact O-N 3.06Å; I194-E198 VanDerWaalsContact O-N 3.12Å
195	V	96.8	Very high	92.8	Very high	6 Å²	6	70.6 Å²	70.6	4%	0.036	34%	0.338	C	S	.	.	H	α-helix	trans	-58.4	-48.1	-179.3	170.5	0	0	0	0	111.6	M69 M72 V73 L76 S191 I192 S197 E198 I199	M69-V195 HydrophobicContact CG-CG1 3.83Å; M72-V195 HydrophobicContact CB-CG1 3.63Å; M72-V195 HydrophobicContact CB-CG2 4.03Å; M72-V195 HydrophobicContact CE-CG1 3.95Å; M72-V195 HydrophobicContact SD-CG1 4.28Å; V73-V195 HydrophobicContact CB-CG2 4.4Å; V73-V195 HydrophobicContact CG2-CB 4.17Å; V73-V195 HydrophobicContact CG2-CG2 3.63Å; L76-V195 HydrophobicContact CD1-CG2 3.44Å; L76-V195 VanDerWaalsContact CD1-CG2 3.44Å; L76-V195 HydrophobicContact CD2-CG2 4.5Å; L76-V195 HydrophobicContact CG-CG2 3.91Å; S191-V195 WeakPolarHBondContact O-CG2 3.48Å; S191-V195 PolarHBondContact O-N 3.49Å; I192-V195 PolarHBondContact O-N 3.14Å; V195-S197 VanDerWaalsContact C-N 3.29Å; V195-S197 PolarHBondContact O-N 3.34Å; V195-E198 PolarHBondContact O-N 3.41Å; V195-E198 VanDerWaalsContact O-N 3.14Å; V195-I199 HydrophobicContact CG1-CD1 3.81Å; V195-I199 HydrophobicContact CG1-CG1 4.27Å; V195-I199 WeakPolarHBondContact O-CG1 3.27Å; V195-I199 PolarHBondContact O-N 2.95Å
196	L	95.8	Very high	91.8	Very high	6 Å²	6	73.9 Å²	73.9	3%	0.031	37%	0.371	C	S	.	.	H	α-helix	trans	-63.5	-36.9	-179.1	-69.5	-180	0	0	0	111.7	F65 M69 I192 I194 E198 I199 Q200 V210 V213 I222	F65-L196 HydrophobicContact CE1-CD2 4.11Å; F65-L196 HydrophobicContact CZ-CD2 4Å; M69-L196 HydrophobicContact CG-CD2 3.73Å; M69-L196 HydrophobicContact CG-CG 4.26Å; I192-L196 HydrophobicContact CG2-CD1 3.57Å; I192-L196 HydrophobicContact CG2-CG 4.06Å; I192-L196 WeakPolarHBondContact O-CB 3.3Å; I192-L196 VanDerWaalsContact O-CG 3.28Å; I192-L196 WeakPolarHBondContact O-CG 3.16Å; I192-L196 PolarHBondContact O-N 2.92Å; I194-L196 PolarHBondContact O-N 3.1Å; L196-E198 VanDerWaalsContact C-N 3.32Å; L196-E198 PolarHBondContact O-N 3.07Å; L196-I199 HydrophobicContact CD2-CD1 4.08Å; L196-I199 PolarHBondContact O-N 2.79Å; L196-Q200 WeakPolarHBondContact O-CB 3.33Å; L196-Q200 VanDerWaalsContact O-CG 3.27Å; L196-Q200 WeakPolarHBondContact O-CG 3.45Å; L196-Q200 PolarHBondContact O-N 2.9Å; L196-V210 HydrophobicContact CD1-CG1 4.32Å; L196-V210 HydrophobicContact CD2-CG2 4.11Å; L196-V213 HydrophobicContact CD1-CB 4.45Å; L196-V213 HydrophobicContact CD1-CG1 4.11Å; L196-V213 HydrophobicContact CD1-CG2 3.48Å; L196-V213 VanDerWaalsContact CD1-CG2 3.48Å; L196-I222 HydrophobicContact CD1-CD1 4.19Å
197	S	94.3	Very high	91.3	Very high	47 Å²	47	73.7 Å²	73.7	33%	0.329	37%	0.369	S	S	.	.	H	α-helix	trans	-62.8	-37.7	174.7	80.3	0	0	0	0	112.3	S193 I194 V195 Q200 K201	S193-S197 WeakPolarHBondContact O-CB 3.47Å; S193-S197 PolarHBondContact O-N 3.05Å; I194-S197 PolarHBondContact O-N 3.05Å; I194-S197 PolarHBondContact O-OG 3.17Å; V195-S197 VanDerWaalsContact C-N 3.29Å; V195-S197 PolarHBondContact O-N 3.34Å; S197-Q200 PolarHBondContact O-N 2.97Å; S197-K201 WeakPolarHBondContact O-CG 3.41Å; S197-K201 PolarHBondContact O-N 2.88Å
198	E	92.6	Very high	91	Very high	99 Å²	99	72.9 Å²	72.9	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-70.9	-41.6	176.4	-67.3	-53.4	136.7	0	0	112.2	I194 V195 L196 Q200 K201	I194-E198 PolarHBondContact O-N 3.06Å; I194-E198 VanDerWaalsContact O-N 3.12Å; V195-E198 PolarHBondContact O-N 3.41Å; V195-E198 VanDerWaalsContact O-N 3.14Å; L196-E198 VanDerWaalsContact C-N 3.32Å; L196-E198 PolarHBondContact O-N 3.07Å; E198-Q200 VanDerWaalsContact C-N 3.27Å; E198-Q200 PolarHBondContact O-N 3.35Å; E198-K201 VanDerWaalsContact CD-NZ 3.35Å; E198-K201 PolarHBondContact O-N 3.41Å; E198-K201 IonicContact OE1-NZ 3.68Å; E198-K201 PolarHBondContact OE1-NZ 3.03Å; E198-K201 IonicContact OE2-NZ 2.63Å; E198-K201 PolarHBondContact OE2-NZ 3.19Å
199	I	91.4	Very high	90.8	Very high	20 Å²	20	79.6 Å²	79.6	10%	0.103	40%	0.396	C	S	.	.	H	α-helix	trans	-58	-43.6	174.2	-68.7	172.9	0	0	0	110.4	F65 M69 M72 V195 L196 K201 K202 M207	F65-I199 HydrophobicContact CE2-CD1 4.34Å; F65-I199 HydrophobicContact CE2-CG2 4.01Å; F65-I199 HydrophobicContact CZ-CD1 4.28Å; F65-I199 HydrophobicContact CZ-CG2 4.31Å; M69-I199 HydrophobicContact CB-CD1 4.41Å; M69-I199 HydrophobicContact CG-CD1 4.44Å; M72-I199 HydrophobicContact CE-CD1 3.34Å; M72-I199 HydrophobicContact CE-CG1 3.65Å; M72-I199 HydrophobicContact SD-CG1 4.28Å; V195-I199 HydrophobicContact CG1-CD1 3.81Å; V195-I199 HydrophobicContact CG1-CG1 4.27Å; V195-I199 WeakPolarHBondContact O-CG1 3.27Å; V195-I199 PolarHBondContact O-N 2.95Å; L196-I199 HydrophobicContact CD2-CD1 4.08Å; L196-I199 PolarHBondContact O-N 2.79Å; I199-K201 VanDerWaalsContact C-N 3.28Å; I199-K201 PolarHBondContact O-N 3.37Å; I199-K202 CarbonylContact O-C 3.56Å; I199-K202 PolarHBondContact O-N 2.86Å; I199-M207 HydrophobicContact CG2-CE 3.24Å; I199-M207 HydrophobicContact CG2-SD 3.53Å; I199-M207 VanDerWaalsContact CG2-SD 3.53Å
200	Q	87.5	Confident	90.6	Very high	109 Å²	109	77.7 Å²	77.7	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-67.7	-23.1	-178.8	-75.6	177.7	-7.4	0	0	113.7	L196 S197 E198 K202 P203	L196-Q200 WeakPolarHBondContact O-CB 3.33Å; L196-Q200 VanDerWaalsContact O-CG 3.27Å; L196-Q200 WeakPolarHBondContact O-CG 3.45Å; L196-Q200 PolarHBondContact O-N 2.9Å; S197-Q200 PolarHBondContact O-N 2.97Å; E198-Q200 VanDerWaalsContact C-N 3.27Å; E198-Q200 PolarHBondContact O-N 3.35Å; Q200-K202 VanDerWaalsContact C-N 3.29Å; Q200-K202 PolarHBondContact O-N 2.87Å; Q200-P203 WeakPolarHBondContact O-CD 3.45Å
201	K	89.3	Confident	90.4	Very high	133 Å²	133	77.8 Å²	77.8	58%	0.578	39%	0.389	S	S	*	.	H	α-helix	trans	-69.5	-25.3	175.1	-71.2	170.6	-170.2	173.7	0	113	S197 E198 I199	S197-K201 WeakPolarHBondContact O-CG 3.41Å; S197-K201 PolarHBondContact O-N 2.88Å; E198-K201 VanDerWaalsContact CD-NZ 3.35Å; E198-K201 PolarHBondContact O-N 3.41Å; E198-K201 IonicContact OE1-NZ 3.68Å; E198-K201 PolarHBondContact OE1-NZ 3.03Å; E198-K201 IonicContact OE2-NZ 2.63Å; E198-K201 PolarHBondContact OE2-NZ 3.19Å; I199-K201 VanDerWaalsContact C-N 3.28Å; I199-K201 PolarHBondContact O-N 3.37Å
202	K	84.7	Confident	90.3	Very high	175 Å²	175	80.7 Å²	80.7	76%	0.761	40%	0.4	S	S	*	.	S	Bend	trans	-131.6	66.7	-178.6	-65.6	-177.5	-177.7	176	0	110.8	I199 Q200 Q204	I199-K202 CarbonylContact O-C 3.56Å; I199-K202 PolarHBondContact O-N 2.86Å; Q200-K202 VanDerWaalsContact C-N 3.29Å; Q200-K202 PolarHBondContact O-N 2.87Å; K202-Q204 PolarHBondContact O-N 3.41Å
203	P	79.1	Confident	90.2	Very high	101 Å²	101	82.4 Å²	82.4	66%	0.656	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-65.3	125.7	-177	27.4	-32.3	0	0	0	110.2	Q200	Q200-P203 WeakPolarHBondContact O-CD 3.45Å
204	Q	79.8	Confident	90.1	Very high	153 Å²	153	82.9 Å²	82.9	72%	0.715	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-92.9	146.5	172.8	-66	-174.5	-15.4	0	0	110.3	K202 G206 M207	K202-Q204 PolarHBondContact O-N 3.41Å; Q204-G206 PolarHBondContact O-N 3.17Å; Q204-M207 VanDerWaalsContact O-CB 3.28Å; Q204-M207 WeakPolarHBondContact O-CB 3.34Å; Q204-M207 PolarHBondContact O-N 2.91Å
205	R	77.1	Confident	90	Very high	259 Å²	259	82.2 Å²	82.2	98%	0.977	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	130.5	177.3	-170.6	177.7	-177.9	178.8	1.1	109.7
206	G	77.4	Confident	89.7	Confident	68 Å²	68	82.5 Å²	82.5	70%	0.701	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-1.8	-179.2	0	0	0	0	0	114.7	Q204	Q204-G206 PolarHBondContact O-N 3.17Å
207	M	85.9	Confident	89.5	Confident	61 Å²	61	83.4 Å²	83.4	30%	0.3	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-75.3	138.9	174.9	-162.1	173.9	71.9	0	0	110.8	F65 I199 Q204	F65-M207 HydrophobicContact CD2-CG 3.66Å; F65-M207 HydrophobicContact CD2-SD 4.32Å; F65-M207 HydrophobicContact CE2-CE 4.34Å; F65-M207 HydrophobicContact CE2-CG 3.63Å; F65-M207 HydrophobicContact CE2-SD 3.87Å; I199-M207 HydrophobicContact CG2-CE 3.24Å; I199-M207 HydrophobicContact CG2-SD 3.53Å; I199-M207 VanDerWaalsContact CG2-SD 3.53Å; Q204-M207 VanDerWaalsContact O-CB 3.28Å; Q204-M207 WeakPolarHBondContact O-CB 3.34Å; Q204-M207 PolarHBondContact O-N 2.91Å
208	P	93.5	Very high	89.5	Confident	9 Å²	9	82.2 Å²	82.2	6%	0.058	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-50.4	138.6	172.6	-34.4	41.3	0	0	0	113.2	T61 F65 L224 V226	T61-P208 HydrophobicContact CG2-CG 4Å; F65-P208 HydrophobicContact CB-CB 4.3Å; F65-P208 HydrophobicContact CB-CG 3.62Å; F65-P208 HydrophobicContact CD1-CB 4.26Å; F65-P208 HydrophobicContact CD1-CG 4.49Å; F65-P208 HydrophobicContact CD2-CB 4.29Å; F65-P208 HydrophobicContact CD2-CG 4.16Å; F65-P208 HydrophobicContact CG-CB 4.02Å; F65-P208 HydrophobicContact CG-CG 3.84Å; P208-L224 HydrophobicContact CB-CD1 4.47Å; P208-V226 HydrophobicContact CB-CG2 3.67Å; P208-V226 HydrophobicContact CG-CG2 3.68Å
209	K	93.1	Very high	89.7	Confident	141 Å²	141	77.7 Å²	77.7	61%	0.613	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.1	172.1	-176.4	-174	175.6	-166.1	0	108.5	E211 L224 G225	K209-E211 HydrophobicContact CD-CG 4.26Å; K209-E211 HydrophobicContact CG-CG 4.32Å; K209-E211 PolarHBondContact O-N 3.06Å; K209-L224 CarbonylContact O-C 3.53Å; K209-L224 WeakPolarHBondContact O-CA 3.38Å; K209-G225 PolarHBondContact N-O 3.11Å; K209-G225 PolarHBondContact O-N 2.93Å
210	V	95.6	Very high	90	Very high	22 Å²	22	76.7 Å²	76.7	13%	0.133	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	103.7	170.1	-176.2	0	0	0	0	108	F65 L196 V213 I222 L224	F65-V210 HydrophobicContact CE1-CG2 3.75Å; F65-V210 HydrophobicContact CZ-CG2 3.6Å; L196-V210 HydrophobicContact CD1-CG1 4.32Å; L196-V210 HydrophobicContact CD2-CG2 4.11Å; V210-V213 HydrophobicContact CG1-CG2 3.34Å; V210-I222 HydrophobicContact CG1-CG2 4.33Å; V210-L224 HydrophobicContact CB-CD2 4.37Å; V210-L224 HydrophobicContact CG2-CD2 3.86Å
211	E	94.4	Very high	90.4	Very high	91 Å²	91	71.5 Å²	71.5	43%	0.425	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-36.2	-179.3	-59.3	-163.7	155.7	0	0	111.6	K209 I223	K209-E211 HydrophobicContact CD-CG 4.26Å; K209-E211 HydrophobicContact CG-CG 4.32Å; K209-E211 PolarHBondContact O-N 3.06Å; E211-I223 HydrophobicContact CB-CB 4.41Å; E211-I223 HydrophobicContact CB-CG2 4.2Å; E211-I223 PolarHBondContact N-O 3.22Å
212	K	94.8	Very high	90.8	Very high	68 Å²	68	65.2 Å²	65.2	30%	0.296	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	144	-176.4	-154	168.4	-170.1	-141	0	111.8	Y108 E214 I222 I223	Y108-K212 HydrophobicContact CE1-CD 4.23Å; Y108-K212 WeakPolarHBondContact OH-CD 3.34Å; Y108-K212 PolarHBondContact OH-NZ 3.3Å; K212-E214 WeakPolarHBondContact CE-OE1 3.27Å; K212-E214 WeakPolarHBondContact CE-OE2 3.27Å; K212-E214 HydrophobicContact CG-CG 4.2Å; K212-E214 IonicContact NZ-OE1 3.96Å; K212-E214 PolarHBondContact NZ-OE1 2.97Å; K212-E214 IonicContact NZ-OE2 3.94Å; K212-E214 PolarHBondContact NZ-OE2 3.05Å; K212-I222 CarbonylContact O-C 3.56Å; K212-I222 VanDerWaalsContact O-CA 3.31Å; K212-I222 WeakPolarHBondContact O-CA 3.4Å; K212-I223 HydrophobicContact CB-CB 3.94Å; K212-I223 HydrophobicContact CB-CD1 4.16Å; K212-I223 HydrophobicContact CB-CG1 4.14Å; K212-I223 HydrophobicContact CD-CD1 4.18Å; K212-I223 PolarHBondContact N-O 2.84Å; K212-I223 PolarHBondContact O-N 2.82Å
213	V	96.4	Very high	91.4	Very high	35 Å²	35	57.2 Å²	57.2	21%	0.212	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	117.1	172.8	-173.3	0	0	0	0	107.5	Y189 I192 L196 V210 I220 S221 I222	Y189-V213 HydrophobicContact CE2-CG1 4.07Å; I192-V213 HydrophobicContact CG2-CG1 4.41Å; L196-V213 HydrophobicContact CD1-CB 4.45Å; L196-V213 HydrophobicContact CD1-CG1 4.11Å; L196-V213 HydrophobicContact CD1-CG2 3.48Å; L196-V213 VanDerWaalsContact CD1-CG2 3.48Å; V210-V213 HydrophobicContact CG1-CG2 3.34Å; V213-I220 HydrophobicContact CG1-CG2 4.47Å; V213-S221 WeakPolarHBondContact CA-O 3.34Å; V213-I222 HydrophobicContact CG1-CG1 4.3Å; V213-I222 HydrophobicContact CG2-CG2 4.42Å
214	E	95.3	Very high	92.2	Very high	49 Å²	49	52.4 Å²	52.4	23%	0.229	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.8	-178.1	-72.1	-177.3	158.8	0	0	111.2	N106 Y108 K212 I220 S221	N106-E214 PolarHBondContact ND2-OE2 3.47Å; Y108-E214 PolarHBondContact OH-OE2 3.3Å; K212-E214 WeakPolarHBondContact CE-OE1 3.27Å; K212-E214 WeakPolarHBondContact CE-OE2 3.27Å; K212-E214 HydrophobicContact CG-CG 4.2Å; K212-E214 IonicContact NZ-OE1 3.96Å; K212-E214 PolarHBondContact NZ-OE1 2.97Å; K212-E214 IonicContact NZ-OE2 3.94Å; K212-E214 PolarHBondContact NZ-OE2 3.05Å; E214-I220 CarbonylContact O-C 3.55Å; E214-I220 WeakPolarHBondContact O-CA 3.47Å; E214-S221 PolarHBondContact N-O 2.94Å; E214-S221 PolarHBondContact O-N 2.94Å
215	K	94.6	Very high	92.9	Very high	75 Å²	75	45.7 Å²	45.7	33%	0.326	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.3	169.8	-170	-174.8	71.4	-172.3	0	109.3	D186 Y189 G217 I219	D186-K215 IonicContact OD1-NZ 3.37Å; D186-K215 PolarHBondContact OD1-NZ 3.23Å; Y189-K215 HydrophobicContact CD1-CB 4.26Å; Y189-K215 HydrophobicContact CD1-CD 4.35Å; Y189-K215 HydrophobicContact CD2-CB 3.64Å; Y189-K215 HydrophobicContact CD2-CG 4.44Å; Y189-K215 HydrophobicContact CE2-CB 3.91Å; Y189-K215 HydrophobicContact CG-CB 3.81Å; Y189-K215 HydrophobicContact CG-CD 4.04Å; Y189-K215 HydrophobicContact CG-CG 4.29Å; K215-G217 WeakPolarHBondContact CG-O 3.4Å; K215-I219 WeakPolarHBondContact CA-O 3.43Å
216	N	91.2	Very high	93.6	Very high	11 Å²	11	34 Å²	34	6%	0.059	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	94.9	177.1	-64.9	-73.1	0	0	0	108	E104 L105 N106 T218 I219 S221	E104-N216 WeakPolarHBondContact O-CB 3.47Å; L105-N216 HydrophobicContact CD2-CB 3.59Å; N106-N216 PolarHBondContact N-OD1 3.01Å; N106-N216 PolarHBondContact ND2-OD1 3.4Å; N106-N216 VanDerWaalsContact ND2-OD1 3.12Å; N216-T218 PolarHBondContact O-N 2.8Å; N216-T218 VanDerWaalsContact O-N 3.09Å; N216-I219 PolarHBondContact N-O 2.89Å; N216-I219 PolarHBondContact O-N 2.88Å; N216-S221 PolarHBondContact ND2-OG 3.04Å
217	G	91.6	Very high	94.2	Very high	25 Å²	25	34.4 Å²	34.4	26%	0.258	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	-113.3	-169.1	0	0	0	0	0	111.1	E104 K215	E104-G217 WeakPolarHBondContact OE2-CA 3.41Å; K215-G217 WeakPolarHBondContact CG-O 3.4Å
218	T	94.6	Very high	94.2	Very high	23 Å²	23	34.6 Å²	34.6	14%	0.141	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	2.5	-179.5	58.3	0	0	0	0	114.1	T182 A185 N216 P275	T182-T218 HydrophobicContact CG2-CG2 4.08Å; A185-T218 HydrophobicContact CB-CG2 4.22Å; N216-T218 PolarHBondContact O-N 2.8Å; N216-T218 VanDerWaalsContact O-N 3.09Å; T218-P275 HydrophobicContact CG2-CB 3.93Å; T218-P275 WeakPolarHBondContact OG1-CG 3.44Å; T218-P275 PolarHBondContact OG1-O 3.15Å
219	I	96.4	Very high	94	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130	-176.3	-60.5	165	0	0	0	109.1	V93 L100 L105 K215 N216 D234 V236	V93-I219 HydrophobicContact CG1-CD1 4.48Å; V93-I219 HydrophobicContact CG2-CD1 4.17Å; L100-I219 HydrophobicContact CB-CD1 4.32Å; L100-I219 HydrophobicContact CD1-CD1 4.06Å; L100-I219 HydrophobicContact CD1-CG1 4.47Å; L105-I219 HydrophobicContact CD1-CD1 4.46Å; L105-I219 HydrophobicContact CD2-CB 4.2Å; L105-I219 HydrophobicContact CD2-CD1 3.79Å; L105-I219 HydrophobicContact CD2-CG2 4.32Å; L105-I219 HydrophobicContact CG-CD1 4.45Å; K215-I219 WeakPolarHBondContact CA-O 3.43Å; N216-I219 PolarHBondContact N-O 2.89Å; N216-I219 PolarHBondContact O-N 2.88Å; I219-D234 HydrophobicContact CG2-CB 3.93Å; I219-V236 HydrophobicContact CG1-CG2 4.29Å; I219-V236 HydrophobicContact CG2-CG2 4.38Å
220	I	97.5	Very high	94	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	111.1	174.9	-58.5	89.1	0	0	0	108.4	F188 Y189 I192 V213 E214 I222 I235	F188-I220 HydrophobicContact CD1-CD1 3.73Å; F188-I220 HydrophobicContact CE1-CD1 4.38Å; Y189-I220 HydrophobicContact CD2-CG1 4.17Å; Y189-I220 HydrophobicContact CD2-CG2 4.09Å; I192-I220 HydrophobicContact CD1-CG2 4.18Å; V213-I220 HydrophobicContact CG1-CG2 4.47Å; E214-I220 CarbonylContact O-C 3.55Å; E214-I220 WeakPolarHBondContact O-CA 3.47Å; I220-I222 HydrophobicContact CG2-CG1 4.26Å; I220-I235 HydrophobicContact CB-CB 4.42Å; I220-I235 PolarHBondContact N-O 2.9Å; I220-I235 PolarHBondContact O-N 3.34Å
221	S	97.2	Very high	93.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.5	177.4	-61.1	0	0	0	0	110.4	V213 E214 N216 Y233 D234	V213-S221 WeakPolarHBondContact CA-O 3.34Å; E214-S221 PolarHBondContact N-O 2.94Å; E214-S221 PolarHBondContact O-N 2.94Å; N216-S221 PolarHBondContact ND2-OG 3.04Å; S221-Y233 CarbonylContact C-O 3.5Å; S221-Y233 WeakPolarHBondContact CA-O 3.38Å; S221-D234 PolarHBondContact OG-OD1 3.19Å
222	I	97.5	Very high	94	Very high	1 Å²	1	24 Å²	24	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128	175.8	-54.6	-173.7	0	0	0	109.4	I66 M69 I192 L196 V210 K212 V213 I220 L224 L232 Y233 I235	I66-I222 HydrophobicContact CD1-CD1 4.13Å; M69-I222 HydrophobicContact CE-CD1 4.29Å; I192-I222 HydrophobicContact CG2-CD1 4.1Å; L196-I222 HydrophobicContact CD1-CD1 4.19Å; V210-I222 HydrophobicContact CG1-CG2 4.33Å; K212-I222 CarbonylContact O-C 3.56Å; K212-I222 VanDerWaalsContact O-CA 3.31Å; K212-I222 WeakPolarHBondContact O-CA 3.4Å; V213-I222 HydrophobicContact CG1-CG1 4.3Å; V213-I222 HydrophobicContact CG2-CG2 4.42Å; I220-I222 HydrophobicContact CG2-CG1 4.26Å; I222-L224 HydrophobicContact CG2-CD2 3.63Å; I222-L224 HydrophobicContact CG2-CG 4.01Å; I222-L232 CarbonylContact O-C 3.56Å; I222-L232 WeakPolarHBondContact O-CA 3.33Å; I222-Y233 PolarHBondContact N-O 3.05Å; I222-Y233 PolarHBondContact O-N 3.32Å; I222-I235 HydrophobicContact CD1-CD1 3.56Å; I222-I235 HydrophobicContact CG1-CD1 4.18Å
223	I	97.1	Very high	94.1	Very high	7 Å²	7	20.8 Å²	20.8	4%	0.036	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.8	170.1	-58.4	178	0	0	0	108.6	Y108 E211 K212 R230 M231 L232	Y108-I223 HydrophobicContact CD1-CD1 4.3Å; Y108-I223 HydrophobicContact CE1-CD1 3.9Å; E211-I223 HydrophobicContact CB-CB 4.41Å; E211-I223 HydrophobicContact CB-CG2 4.2Å; E211-I223 PolarHBondContact N-O 3.22Å; K212-I223 HydrophobicContact CB-CB 3.94Å; K212-I223 HydrophobicContact CB-CD1 4.16Å; K212-I223 HydrophobicContact CB-CG1 4.14Å; K212-I223 HydrophobicContact CD-CD1 4.18Å; K212-I223 PolarHBondContact N-O 2.84Å; K212-I223 PolarHBondContact O-N 2.82Å; I223-R230 HydrophobicContact CG2-CB 4.46Å; I223-M231 WeakPolarHBondContact CA-O 3.17Å; I223-L232 HydrophobicContact CG1-CD1 3.9Å
224	L	96.3	Very high	94.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.9	177.4	-61.1	-176.6	0	0	0	110.8	A62 F65 I66 P208 K209 V210 I222 V226 R230 M231 Y233	A62-L224 HydrophobicContact CB-CD1 4.13Å; F65-L224 HydrophobicContact CD1-CD1 3.83Å; F65-L224 HydrophobicContact CD1-CD2 4.04Å; F65-L224 HydrophobicContact CE1-CD1 4.43Å; F65-L224 HydrophobicContact CE1-CD2 3.81Å; I66-L224 HydrophobicContact CD1-CD1 3.93Å; I66-L224 HydrophobicContact CG1-CD1 3.78Å; P208-L224 HydrophobicContact CB-CD1 4.47Å; K209-L224 CarbonylContact O-C 3.53Å; K209-L224 WeakPolarHBondContact O-CA 3.38Å; V210-L224 HydrophobicContact CB-CD2 4.37Å; V210-L224 HydrophobicContact CG2-CD2 3.86Å; I222-L224 HydrophobicContact CG2-CD2 3.63Å; I222-L224 HydrophobicContact CG2-CG 4.01Å; L224-V226 HydrophobicContact CB-CG2 4.49Å; L224-R230 CarbonylContact O-C 3.56Å; L224-R230 WeakPolarHBondContact O-CA 3.24Å; L224-M231 PolarHBondContact N-O 3.25Å; L224-M231 PolarHBondContact O-N 2.91Å; L224-Y233 HydrophobicContact CD1-CD2 4.12Å; L224-Y233 HydrophobicContact CD1-CE2 4.02Å; L224-Y233 HydrophobicContact CG-CD2 4.46Å
225	G	94.6	Very high	94.3	Very high	12 Å²	12	16.8 Å²	16.8	12%	0.124	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.7	165.3	0	0	0	0	0	110.6	K209	K209-G225 PolarHBondContact N-O 3.11Å; K209-G225 PolarHBondContact O-N 2.93Å
226	V	91.6	Very high	94.5	Very high	12 Å²	12	13.2 Å²	13.2	7%	0.073	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	111.3	175.9	-171.5	0	0	0	0	109.1	E58 T61 A62 P208 L224 S228 S229	E58-V226 HydrophobicContact CB-CB 4.33Å; E58-V226 HydrophobicContact CB-CG1 3.98Å; E58-V226 VanDerWaalsContact CD-O 3.28Å; E58-V226 HydrophobicContact CG-CG1 4.13Å; T61-V226 HydrophobicContact CG2-CG1 3.99Å; A62-V226 HydrophobicContact CB-CG2 3.89Å; P208-V226 HydrophobicContact CB-CG2 3.67Å; P208-V226 HydrophobicContact CG-CG2 3.68Å; L224-V226 HydrophobicContact CB-CG2 4.49Å; V226-S228 PolarHBondContact O-N 3.12Å; V226-S228 VanDerWaalsContact O-N 3.12Å; V226-S229 PolarHBondContact N-O 2.88Å; V226-S229 PolarHBondContact O-N 2.92Å
227	G	88.9	Confident	94.8	Very high	78 Å²	78	12.8 Å²	12.8	80%	0.804	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	-116	-174.3	0	0	0	0	0	110.8
228	S	86.1	Confident	95.1	Very high	64 Å²	64	11.6 Å²	11.6	45%	0.448	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-2.7	178.1	67.9	0	0	0	0	114.4	E58 V226	E58-S228 PolarHBondContact OE1-N 3.01Å; E58-S228 VanDerWaalsContact OE1-N 3.12Å; V226-S228 PolarHBondContact O-N 3.12Å; V226-S228 VanDerWaalsContact O-N 3.12Å
229	S	89.3	Confident	95.2	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.007	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.7	-174.9	-65.7	0	0	0	0	112.2	E58 V226	E58-S229 WeakPolarHBondContact OE2-CB 3.21Å; E58-S229 PolarHBondContact OE2-OG 2.92Å; V226-S229 PolarHBondContact N-O 2.88Å; V226-S229 PolarHBondContact O-N 2.92Å
230	R	93.1	Very high	95.2	Very high	39 Å²	39	10.4 Å²	10.4	15%	0.147	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.9	169.9	-63.9	163.6	-63.2	165.2	7.1	110.2	G111 T112 D115 M116 I223 L224	G111-R230 PolarHBondContact O-NH2 2.84Å; T112-R230 PolarHBondContact O-NH1 2.79Å; D115-R230 PolarHBondContact N-O 3.21Å; D115-R230 IonicContact OD1-CZ 2.67Å; D115-R230 IonicContact OD1-NE 3.05Å; D115-R230 IonicContact OD1-NH2 3.81Å; D115-R230 PolarHBondContact OD1-NH2 3.27Å; D115-R230 IonicContact OD2-CZ 2.71Å; D115-R230 PolarHBondContact OD2-N 2.96Å; D115-R230 IonicContact OD2-NE 3.09Å; D115-R230 PolarHBondContact OD2-NE 3.01Å; D115-R230 IonicContact OD2-NH2 3.68Å; M116-R230 PolarHBondContact N-O 3.19Å; M116-R230 VanDerWaalsContact N-O 3.13Å; I223-R230 HydrophobicContact CG2-CB 4.46Å; L224-R230 CarbonylContact O-C 3.56Å; L224-R230 WeakPolarHBondContact O-CA 3.24Å
231	M	94	Very high	94.9	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.7	-173.4	-55	-171.9	-175.4	0	0	110.2	E58 I59 A62 M116 F118 I223 L224 Y233	E58-M231 HydrophobicContact CB-CE 3.76Å; I59-M231 HydrophobicContact CB-CE 4.32Å; I59-M231 HydrophobicContact CG1-CE 3.71Å; I59-M231 HydrophobicContact CG1-SD 4.18Å; A62-M231 HydrophobicContact CB-SD 3.37Å; A62-M231 WeakPolarHBondContact CB-SD 3.23Å; M116-M231 HydrophobicContact CB-CG 4.31Å; M116-M231 CarbonylContact O-C 3.59Å; M116-M231 WeakPolarHBondContact O-CA 3.45Å; M116-M231 HydrophobicContact SD-CE 4.23Å; F118-M231 HydrophobicContact CE2-CB 4.44Å; F118-M231 HydrophobicContact CE2-SD 4.28Å; I223-M231 WeakPolarHBondContact CA-O 3.17Å; L224-M231 PolarHBondContact N-O 3.25Å; L224-M231 PolarHBondContact O-N 2.91Å; M231-Y233 HydrophobicContact CB-CD2 4.28Å; M231-Y233 HydrophobicContact CB-CE2 3.79Å
232	L	96.5	Very high	94.5	Very high	1 Å²	1	18 Å²	18	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	120.2	172.4	173.5	61.5	0	0	0	109.5	Y108 Y114 M116 D117 F118 I222 I223	Y108-L232 HydrophobicContact CD2-CD1 4.34Å; Y108-L232 HydrophobicContact CD2-CD2 4.05Å; Y108-L232 HydrophobicContact CE2-CD1 4.36Å; Y114-L232 HydrophobicContact CD1-CB 4.19Å; Y114-L232 HydrophobicContact CD1-CD2 3.76Å; Y114-L232 HydrophobicContact CD2-CB 4.21Å; Y114-L232 HydrophobicContact CE1-CD2 3.81Å; Y114-L232 HydrophobicContact CG-CB 3.81Å; Y114-L232 HydrophobicContact CG-CD2 4.19Å; M116-L232 PolarHBondContact O-N 3.25Å; D117-L232 CarbonylContact C-O 3.59Å; D117-L232 WeakPolarHBondContact CA-O 3.45Å; D117-L232 HydrophobicContact CB-CB 4.14Å; D117-L232 HydrophobicContact CB-CD2 4.39Å; D117-L232 HydrophobicContact CB-CG 4.48Å; F118-L232 PolarHBondContact N-O 2.71Å; I222-L232 CarbonylContact O-C 3.56Å; I222-L232 WeakPolarHBondContact O-CA 3.33Å; I223-L232 HydrophobicContact CG1-CD1 3.9Å
233	Y	97.3	Very high	93.9	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.1	170	-75.7	-96.7	0	0	0	109.2	A62 K63 I66 L88 F118 S221 I222 L224 M231	A62-Y233 HydrophobicContact CB-CE2 3.99Å; A62-Y233 WeakPolarHBondContact CB-OH 3.35Å; K63-Y233 PolarHBondContact N-OH 3.26Å; I66-Y233 HydrophobicContact CD1-CD2 4.49Å; I66-Y233 HydrophobicContact CD1-CG 4.33Å; I66-Y233 HydrophobicContact CG1-CD1 4.25Å; I66-Y233 HydrophobicContact CG1-CD2 4.27Å; I66-Y233 HydrophobicContact CG1-CE1 4.32Å; I66-Y233 HydrophobicContact CG1-CE2 4.35Å; I66-Y233 HydrophobicContact CG1-CG 4.22Å; L88-Y233 HydrophobicContact CD1-CD1 4.24Å; L88-Y233 HydrophobicContact CD1-CE1 3.9Å; F118-Y233 HydrophobicContact CB-CD1 3.9Å; F118-Y233 HydrophobicContact CB-CE1 3.92Å; F118-Y233 HydrophobicContact CD2-CD1 4.48Å; F118-Y233 AromaticContact CD2-CE1 4Å; F118-Y233 HydrophobicContact CD2-CE1 4Å; F118-Y233 HydrophobicContact CD2-CE2 4.08Å; F118-Y233 AromaticContact CD2-CZ 3.77Å; F118-Y233 HydrophobicContact CG-CE1 4.09Å; F118-Y233 WeakPolarHBondContact O-CA 3.47Å; S221-Y233 CarbonylContact C-O 3.5Å; S221-Y233 WeakPolarHBondContact CA-O 3.38Å; I222-Y233 PolarHBondContact N-O 3.05Å; I222-Y233 PolarHBondContact O-N 3.32Å; L224-Y233 HydrophobicContact CD1-CD2 4.12Å; L224-Y233 HydrophobicContact CD1-CE2 4.02Å; L224-Y233 HydrophobicContact CG-CD2 4.46Å; M231-Y233 HydrophobicContact CB-CD2 4.28Å; M231-Y233 HydrophobicContact CB-CE2 3.79Å
234	D	97.4	Very high	93.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	102.6	164.8	-68.2	-46.1	0	0	0	108.2	V93 R94 F118 T119 L120 I219 S221	V93-D234 HydrophobicContact CG1-CB 3.74Å; V93-D234 HydrophobicContact CG2-CB 4.31Å; V93-D234 WeakPolarHBondContact CG2-OD2 3.38Å; V93-D234 PolarHBondContact N-OD2 2.73Å; R94-D234 IonicContact NH1-OD1 2.87Å; R94-D234 PolarHBondContact NH1-OD1 3.28Å; R94-D234 IonicContact NH1-OD2 2.83Å; R94-D234 PolarHBondContact NH1-OD2 3.03Å; R94-D234 VanDerWaalsContact NH1-OD2 3.09Å; F118-D234 PolarHBondContact O-N 2.81Å; T119-D234 CarbonylContact C-O 3.55Å; T119-D234 WeakPolarHBondContact CA-O 3.26Å; L120-D234 PolarHBondContact N-O 2.8Å; I219-D234 HydrophobicContact CG2-CB 3.93Å; S221-D234 PolarHBondContact OG-OD1 3.19Å
235	I	97.9	Very high	93.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.9	-179.2	-48.8	-176.5	0	0	0	109	I66 M69 L120 V122 F188 I220 I222	I66-I235 HydrophobicContact CD1-CD1 4.12Å; I66-I235 HydrophobicContact CG2-CD1 4.27Å; M69-I235 HydrophobicContact CE-CD1 4.05Å; L120-I235 HydrophobicContact CB-CG1 4.5Å; L120-I235 HydrophobicContact CD2-CG2 4.45Å; V122-I235 HydrophobicContact CG2-CG2 3.52Å; F188-I235 HydrophobicContact CE1-CG2 3.66Å; F188-I235 HydrophobicContact CZ-CG2 3.97Å; I220-I235 HydrophobicContact CB-CB 4.42Å; I220-I235 PolarHBondContact N-O 2.9Å; I220-I235 PolarHBondContact O-N 3.34Å; I222-I235 HydrophobicContact CD1-CD1 3.56Å; I222-I235 HydrophobicContact CG1-CD1 4.18Å
236	V	97.8	Very high	93.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116.9	-172.1	-172.5	0	0	0	0	109.6	V93 L100 T119 L120 L121 V122 I219 V238 P275	V93-V236 HydrophobicContact CG1-CG2 4.4Å; L100-V236 HydrophobicContact CD1-CG1 4.27Å; L100-V236 HydrophobicContact CD1-CG2 3.93Å; T119-V236 HydrophobicContact CG2-CG2 4.23Å; L120-V236 PolarHBondContact O-N 2.84Å; L121-V236 HydrophobicContact CD2-CB 3.87Å; L121-V236 HydrophobicContact CD2-CG1 4.35Å; L121-V236 HydrophobicContact CD2-CG2 4.34Å; V122-V236 PolarHBondContact N-O 2.81Å; I219-V236 HydrophobicContact CG1-CG2 4.29Å; I219-V236 HydrophobicContact CG2-CG2 4.38Å; V236-V238 HydrophobicContact CG1-CG1 4.14Å; V236-P275 VanDerWaalsContact CG1-CD 3.43Å; V236-P275 HydrophobicContact CG1-CG 3.64Å
237	P	97.9	Very high	93.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131	172	29	-31.3	0	0	0	109.9	V122 V184 A185 F188 P275	V122-P237 CarbonylContact O-C 3.47Å; V122-P237 WeakPolarHBondContact O-CA 3.39Å; V184-P237 HydrophobicContact CG1-CB 3.86Å; V184-P237 HydrophobicContact CG1-CG 4.3Å; A185-P237 HydrophobicContact CB-CG 4.13Å; F188-P237 HydrophobicContact CD1-CB 3.82Å; F188-P237 HydrophobicContact CD1-CG 4.02Å; F188-P237 HydrophobicContact CE1-CB 4.31Å; P237-P275 WeakPolarHBondContact O-CD 3.26Å
238	V	98.2	Very high	93.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	167.6	-177.2	-58.9	0	0	0	0	112.1	L121 V122 P123 A124 V236 Y272 L273 V274	L121-V238 HydrophobicContact CB-CG1 4.02Å; L121-V238 HydrophobicContact CB-CG2 4.02Å; L121-V238 HydrophobicContact CD1-CG1 4.42Å; L121-V238 HydrophobicContact CD2-CG1 3.96Å; L121-V238 HydrophobicContact CG-CG1 4.36Å; V122-V238 PolarHBondContact O-N 2.96Å; P123-V238 CarbonylContact C-O 3.55Å; P123-V238 WeakPolarHBondContact CA-O 3.4Å; P123-V238 HydrophobicContact CB-CG2 4.46Å; P123-V238 HydrophobicContact CG-CG2 4.2Å; A124-V238 PolarHBondContact N-O 2.95Å; V236-V238 HydrophobicContact CG1-CG1 4.14Å; V238-Y272 HydrophobicContact CB-CD1 4.39Å; V238-Y272 HydrophobicContact CG2-CD1 3.76Å; V238-Y272 HydrophobicContact CG2-CE1 4.32Å; V238-L273 WeakPolarHBondContact CA-O 3.34Å; V238-L273 WeakPolarHBondContact CB-O 3.45Å; V238-V274 HydrophobicContact CG1-CG1 3.87Å
239	V	97.4	Very high	93.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.7	161.9	-175.6	0	0	0	0	108.4	L125 L127 L148 F179 F241 Y272 L273 W287	L125-V239 HydrophobicContact CB-CB 4.49Å; L125-V239 HydrophobicContact CB-CG1 3.87Å; L125-V239 HydrophobicContact CB-CG2 4.25Å; L125-V239 WeakPolarHBondContact O-CA 3.49Å; L127-V239 HydrophobicContact CD1-CG1 3.57Å; L127-V239 HydrophobicContact CG-CG1 3.95Å; L148-V239 HydrophobicContact CD2-CB 4.36Å; L148-V239 HydrophobicContact CD2-CG1 3.98Å; L148-V239 HydrophobicContact CD2-CG2 3.81Å; F179-V239 HydrophobicContact CD1-CG2 3.78Å; F179-V239 HydrophobicContact CE1-CG2 3.64Å; V239-F241 HydrophobicContact CB-CE2 3.91Å; V239-F241 HydrophobicContact CG1-CD2 4.21Å; V239-F241 HydrophobicContact CG1-CE2 3.43Å; V239-F241 VanDerWaalsContact CG1-CE2 3.43Å; V239-F241 HydrophobicContact CG1-CZ 3.82Å; V239-Y272 CarbonylContact O-C 3.26Å; V239-Y272 VanDerWaalsContact O-CA 3.24Å; V239-Y272 WeakPolarHBondContact O-CA 2.72Å; V239-L273 HydrophobicContact CB-CB 4.08Å; V239-L273 HydrophobicContact CB-CD1 4.49Å; V239-L273 PolarHBondContact N-O 3.27Å; V239-L273 PolarHBondContact O-N 3.03Å; V239-W287 HydrophobicContact CG2-CH2 4.26Å; V239-W287 HydrophobicContact CG2-CZ2 4.34Å; V239-W287 HydrophobicContact CG2-CZ3 4.4Å
240	S	94.7	Very high	93.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132.5	-175.5	-172.5	0	0	0	0	111.7	L125 L127 H128 Y272	L125-S240 PolarHBondContact O-N 2.93Å; L127-S240 PolarHBondContact N-O 3.47Å; H128-S240 PolarHBondContact CD2-O 2.99Å; H128-S240 PolarHBondContact CE1-OG 3.41Å; H128-S240 PolarHBondContact NE2-OG 3.21Å; S240-Y272 WeakPolarHBondContact OG-CE1 3.27Å
241	F	92.9	Very high	93.8	Very high	13 Å²	13	24.6 Å²	24.6	6%	0.057	15%	0.145	C	C	.	.			trans	-120.4	152.8	-179.2	-65.1	-102.5	0	0	0	110.7	L127 H128 V134 L136 L148 V239 G270 F271 L273	L127-F241 HydrophobicContact CB-CD1 4.42Å; L127-F241 HydrophobicContact CD1-CD1 4.31Å; L127-F241 HydrophobicContact CD1-CE1 3.66Å; L127-F241 HydrophobicContact CD1-CE2 4.35Å; L127-F241 HydrophobicContact CD1-CZ 3.66Å; H128-F241 PolarHBondContact NE2-O 3.47Å; V134-F241 HydrophobicContact CB-CE1 4.05Å; V134-F241 HydrophobicContact CG1-CE1 3.78Å; V134-F241 HydrophobicContact CG1-CZ 4.26Å; V134-F241 HydrophobicContact CG2-CE1 4.25Å; L136-F241 HydrophobicContact CD2-CE1 4.28Å; L136-F241 HydrophobicContact CD2-CZ 3.94Å; L148-F241 HydrophobicContact CD1-CZ 4.44Å; V239-F241 HydrophobicContact CB-CE2 3.91Å; V239-F241 HydrophobicContact CG1-CD2 4.21Å; V239-F241 HydrophobicContact CG1-CE2 3.43Å; V239-F241 VanDerWaalsContact CG1-CE2 3.43Å; V239-F241 HydrophobicContact CG1-CZ 3.82Å; F241-G270 VanDerWaalsContact O-CA 3.27Å; F241-G270 WeakPolarHBondContact O-CA 3.33Å; F241-F271 HydrophobicContact CB-CD1 3.67Å; F241-F271 HydrophobicContact CB-CD2 4.36Å; F241-F271 HydrophobicContact CB-CE1 3.35Å; F241-F271 HydrophobicContact CB-CE2 4.09Å; F241-F271 HydrophobicContact CB-CG 4.17Å; F241-F271 HydrophobicContact CB-CZ 3.58Å; F241-F271 HydrophobicContact CD1-CE1 4.11Å; F241-F271 HydrophobicContact CD1-CE2 4.27Å; F241-F271 AromaticContact CD1-CZ 3.61Å; F241-F271 HydrophobicContact CD1-CZ 3.61Å; F241-F271 HydrophobicContact CD2-CD2 4.13Å; F241-F271 HydrophobicContact CD2-CE1 4.43Å; F241-F271 AromaticContact CD2-CE2 3.62Å; F241-F271 HydrophobicContact CD2-CE2 3.62Å; F241-F271 AromaticContact CD2-CZ 3.79Å; F241-F271 HydrophobicContact CD2-CZ 3.79Å; F241-F271 HydrophobicContact CE1-CZ 4.19Å; F241-F271 HydrophobicContact CE2-CE2 4.1Å; F241-F271 HydrophobicContact CE2-CZ 4.39Å; F241-F271 HydrophobicContact CG-CD1 4.36Å; F241-F271 HydrophobicContact CG-CD2 4.37Å; F241-F271 AromaticContact CG-CE1 3.74Å; F241-F271 HydrophobicContact CG-CE1 3.74Å; F241-F271 AromaticContact CG-CE2 3.74Å; F241-F271 HydrophobicContact CG-CE2 3.74Å; F241-F271 AromaticContact CG-CZ 3.37Å; F241-F271 HydrophobicContact CG-CZ 3.37Å; F241-F271 PolarHBondContact N-O 2.8Å; F241-F271 PolarHBondContact O-N 3.26Å; F241-L273 HydrophobicContact CD2-CG 4.43Å; F241-L273 HydrophobicContact CE2-CB 4.29Å; F241-L273 HydrophobicContact CE2-CD1 3.63Å; F241-L273 HydrophobicContact CE2-CG 3.57Å; F241-L273 HydrophobicContact CZ-CD1 3.76Å; F241-L273 HydrophobicContact CZ-CG 4.17Å
242	K	88.3	Confident	93.6	Very high	147 Å²	147	26.1 Å²	26.1	64%	0.639	15%	0.153	S	C	*	.	S	Bend	trans	-102.9	144.7	167.7	-174.6	177.7	179.9	-179.6	0	108.7	H128	H128-K242 HydrophobicContact CB-CB 3.96Å; H128-K242 PolarHBondContact CD2-N 2.87Å
243	G	85.7	Confident	93.1	Very high	28 Å²	28	33.1 Å²	33.1	29%	0.289	19%	0.187	S	C	.	.	S	Bend	trans	84.1	-169.5	-179.7	0	0	0	0	0	113.7	I268 S269 G270 F271	G243-I268 CarbonylContact C-O 3.57Å; G243-S269 PolarHBondContact N-O 3.45Å; G243-S269 VanDerWaalsContact N-O 3.11Å; G243-G270 WeakPolarHBondContact O-CA 3.27Å; G243-F271 WeakPolarHBondContact O-CD1 3.38Å
244	W	90.9	Very high	92.5	Very high	34 Å²	34	38.7 Å²	38.7	13%	0.129	21%	0.213	C	C	.	.			trans	-109.3	135.6	-172.6	-158.6	-112.7	0	0	0	111.9	A248 W251 L252 I268 F291 F378	W244-A248 HydrophobicContact CZ2-CB 3.96Å; W244-A248 VanDerWaalsContact NE1-C 3.26Å; W244-A248 VanDerWaalsContact NE1-CB 3.3Å; W244-A248 PolarHBondContact NE1-O 3.18Å; W244-W251 HydrophobicContact CH2-CE3 4.15Å; W244-W251 HydrophobicContact CH2-CZ3 4.38Å; W244-W251 HydrophobicContact CZ2-CD2 4.17Å; W244-W251 AromaticContact CZ2-CE3 3.65Å; W244-W251 HydrophobicContact CZ2-CE3 3.65Å; W244-W251 HydrophobicContact CZ2-CZ3 4.3Å; W244-L252 HydrophobicContact CB-CD1 4.41Å; W244-L252 HydrophobicContact CG-CD1 3.98Å; W244-I268 HydrophobicContact CD2-CB 4.18Å; W244-I268 HydrophobicContact CD2-CG2 4.24Å; W244-I268 HydrophobicContact CE3-CB 3.68Å; W244-I268 HydrophobicContact CE3-CG2 3.94Å; W244-I268 HydrophobicContact CZ3-CB 4.2Å; W244-I268 HydrophobicContact CZ3-CG2 4.13Å; W244-F291 HydrophobicContact CD2-CE1 4.35Å; W244-F291 HydrophobicContact CE3-CD1 4.25Å; W244-F291 HydrophobicContact CE3-CE1 4.15Å; W244-F291 AromaticContact CH2-CD1 3.25Å; W244-F291 HydrophobicContact CH2-CD1 3.25Å; W244-F291 AromaticContact CH2-CE1 3.47Å; W244-F291 HydrophobicContact CH2-CE1 3.47Å; W244-F291 VanDerWaalsContact CH2-CE1 3.47Å; W244-F291 HydrophobicContact CH2-CG 4.2Å; W244-F291 AromaticContact CZ2-CD1 3.94Å; W244-F291 HydrophobicContact CZ2-CD1 3.94Å; W244-F291 AromaticContact CZ2-CE1 3.67Å; W244-F291 HydrophobicContact CZ2-CE1 3.67Å; W244-F291 HydrophobicContact CZ2-CZ 4.48Å; W244-F291 AromaticContact CZ3-CD1 3.44Å; W244-F291 HydrophobicContact CZ3-CD1 3.44Å; W244-F291 VanDerWaalsContact CZ3-CD1 3.44Å; W244-F291 AromaticContact CZ3-CE1 3.73Å; W244-F291 HydrophobicContact CZ3-CE1 3.73Å; W244-F378 AromaticContact CH2-CD1 3.55Å; W244-F378 HydrophobicContact CH2-CD1 3.55Å; W244-F378 HydrophobicContact CH2-CE1 4.06Å; W244-F378 HydrophobicContact CH2-CG 4.35Å; W244-F378 HydrophobicContact CZ2-CB 4.45Å; W244-F378 AromaticContact CZ2-CD1 3.95Å; W244-F378 HydrophobicContact CZ2-CD1 3.95Å
245	P	91.6	Very high	91.9	Very high	11 Å²	11	44.5 Å²	44.5	7%	0.071	24%	0.244	C	C	.	.			trans	-76.9	139.6	-179.4	30.5	-30.1	0	0	0	110.7	V247 A248 F271 L289 F291	P245-V247 HydrophobicContact CB-CG1 4.24Å; P245-V247 HydrophobicContact CG-CG1 4.48Å; P245-V247 PolarHBondContact O-N 2.96Å; P245-V247 VanDerWaalsContact O-N 3.09Å; P245-A248 HydrophobicContact CG-CB 3.99Å; P245-A248 PolarHBondContact O-N 3.33Å; P245-F271 HydrophobicContact CB-CD1 4.22Å; P245-F271 HydrophobicContact CB-CE1 3.83Å; P245-F271 HydrophobicContact CB-CE2 4.26Å; P245-F271 HydrophobicContact CB-CZ 3.87Å; P245-F271 HydrophobicContact CG-CD1 3.98Å; P245-F271 HydrophobicContact CG-CD2 4.34Å; P245-F271 HydrophobicContact CG-CE1 4.12Å; P245-F271 HydrophobicContact CG-CE2 4.49Å; P245-F271 HydrophobicContact CG-CG 4.1Å; P245-F271 HydrophobicContact CG-CZ 4.38Å; P245-L289 HydrophobicContact CB-CD2 3.95Å; P245-L289 HydrophobicContact CG-CD2 3.82Å; P245-F291 HydrophobicContact CG-CE1 3.74Å; P245-F291 HydrophobicContact CG-CZ 3.77Å
246	A	89.7	Confident	91.3	Very high	92 Å²	92	44.6 Å²	44.6	76%	0.76	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-56.1	-32.8	-176.3	0	0	0	0	0	113.9	A248 Q249	A246-A248 PolarHBondContact O-N 3.1Å; A246-Q249 VanDerWaalsContact O-CB 3.24Å; A246-Q249 WeakPolarHBondContact O-CB 3.41Å; A246-Q249 PolarHBondContact O-N 3.25Å; A246-Q249 VanDerWaalsContact O-N 3.12Å
247	V	91.2	Very high	90.6	Very high	44 Å²	44	46.6 Å²	46.6	27%	0.267	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-62.8	-24.1	176.9	68.9	0	0	0	0	113.2	M138 P245 L289 I379	M138-V247 HydrophobicContact CE-CB 4.34Å; M138-V247 HydrophobicContact CE-CG1 4.11Å; M138-V247 HydrophobicContact CE-CG2 4.3Å; M138-V247 HydrophobicContact SD-CB 4.35Å; M138-V247 HydrophobicContact SD-CG2 4.49Å; P245-V247 HydrophobicContact CB-CG1 4.24Å; P245-V247 HydrophobicContact CG-CG1 4.48Å; P245-V247 PolarHBondContact O-N 2.96Å; P245-V247 VanDerWaalsContact O-N 3.09Å; V247-L289 HydrophobicContact CG1-CD2 3.65Å; V247-I379 HydrophobicContact CG1-CD1 3.88Å; V247-I379 HydrophobicContact CG2-CG2 4.31Å
248	A	93.5	Very high	89.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-101.4	6.2	178.7	0	0	0	0	0	112.3	W244 P245 A246 S250 W251 F291 F378 I379	W244-A248 HydrophobicContact CZ2-CB 3.96Å; W244-A248 VanDerWaalsContact NE1-C 3.26Å; W244-A248 VanDerWaalsContact NE1-CB 3.3Å; W244-A248 PolarHBondContact NE1-O 3.18Å; P245-A248 HydrophobicContact CG-CB 3.99Å; P245-A248 PolarHBondContact O-N 3.33Å; A246-A248 PolarHBondContact O-N 3.1Å; A248-S250 PolarHBondContact O-N 3.39Å; A248-W251 VanDerWaalsContact O-CB 3.23Å; A248-W251 WeakPolarHBondContact O-CB 3.36Å; A248-W251 PolarHBondContact O-N 3.22Å; A248-F291 HydrophobicContact CB-CE1 4.11Å; A248-F291 HydrophobicContact CB-CZ 3.74Å; A248-F378 WeakPolarHBondContact CB-O 3.35Å; A248-I379 HydrophobicContact CB-CG1 3.98Å
249	Q	91.6	Very high	88.7	Confident	86 Å²	86	50.9 Å²	50.9	40%	0.402	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-61.2	-31.3	-175.1	-169.1	64.8	32.6	0	0	112.8	A246 W251 L252	A246-Q249 VanDerWaalsContact O-CB 3.24Å; A246-Q249 WeakPolarHBondContact O-CB 3.41Å; A246-Q249 PolarHBondContact O-N 3.25Å; A246-Q249 VanDerWaalsContact O-N 3.12Å; Q249-W251 PolarHBondContact O-N 3.08Å; Q249-L252 PolarHBondContact O-N 2.94Å; Q249-L252 VanDerWaalsContact O-N 3.14Å
250	S	90.9	Very high	87.6	Confident	56 Å²	56	54 Å²	54	39%	0.392	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-62.7	-27.2	177.6	57.9	0	0	0	0	113	A248 L252 M253	A248-S250 PolarHBondContact O-N 3.39Å; S250-L252 PolarHBondContact O-N 3.34Å; S250-M253 WeakPolarHBondContact O-CB 3.37Å; S250-M253 PolarHBondContact O-N 2.95Å; S250-M253 VanDerWaalsContact O-N 3.12Å
251	W	93.9	Very high	86.8	Confident	2 Å²	2	62 Å²	62	1%	0.008	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-62.4	-32.8	176.3	-172.1	79.8	0	0	0	111.3	W244 A248 Q249 M253 E254 H256 V267 I268 L298 Y377 F378	W244-W251 HydrophobicContact CH2-CE3 4.15Å; W244-W251 HydrophobicContact CH2-CZ3 4.38Å; W244-W251 HydrophobicContact CZ2-CD2 4.17Å; W244-W251 AromaticContact CZ2-CE3 3.65Å; W244-W251 HydrophobicContact CZ2-CE3 3.65Å; W244-W251 HydrophobicContact CZ2-CZ3 4.3Å; A248-W251 VanDerWaalsContact O-CB 3.23Å; A248-W251 WeakPolarHBondContact O-CB 3.36Å; A248-W251 PolarHBondContact O-N 3.22Å; Q249-W251 PolarHBondContact O-N 3.08Å; W251-M253 PolarHBondContact O-N 3.31Å; W251-M253 VanDerWaalsContact O-N 3.16Å; W251-E254 PolarHBondContact O-N 3.13Å; W251-H256 AromaticContact CD1-CD2 3.91Å; W251-H256 AromaticContact CD1-CE1 3.82Å; W251-H256 AromaticContact CD1-NE2 3.38Å; W251-H256 AromaticContact CD2-CD2 3.55Å; W251-H256 AromaticContact CD2-NE2 3.83Å; W251-H256 AromaticContact CE2-CD2 3.23Å; W251-H256 AromaticContact CE2-CE1 3.99Å; W251-H256 AromaticContact CE2-CG 3.48Å; W251-H256 VanDerWaalsContact CE2-CG 3.48Å; W251-H256 AromaticContact CE2-ND1 3.93Å; W251-H256 AromaticContact CE2-NE2 3.56Å; W251-H256 AromaticContact CG-CD2 3.98Å; W251-H256 AromaticContact CG-NE2 3.73Å; W251-H256 HydrophobicContact CH2-CB 3.59Å; W251-H256 AromaticContact CH2-CD2 3.94Å; W251-H256 AromaticContact CH2-CG 3.92Å; W251-H256 HydrophobicContact CZ2-CB 3.32Å; W251-H256 AromaticContact CZ2-CD2 3.45Å; W251-H256 VanDerWaalsContact CZ2-CD2 3.45Å; W251-H256 WeakPolarHBondContact CZ2-CD2 3.41Å; W251-H256 AromaticContact CZ2-CG 3.29Å; W251-H256 AromaticContact CZ2-ND1 3.99Å; W251-H256 AromaticContact NE1-CD2 3.5Å; W251-H256 AromaticContact NE1-CE1 3.46Å; W251-H256 PolarHBondContact NE1-CE1 3.34Å; W251-H256 AromaticContact NE1-CG 3.74Å; W251-H256 AromaticContact NE1-ND1 3.7Å; W251-H256 AromaticContact NE1-NE2 3.3Å; W251-H256 PolarHBondContact NE1-NE2 3.45Å; W251-H256 PolarHBondContact O-CD2 3.37Å; W251-H256 PolarHBondContact O-NE2 3.05Å; W251-V267 HydrophobicContact CH2-CG1 3.94Å; W251-V267 HydrophobicContact CZ3-CG1 4.23Å; W251-I268 HydrophobicContact CZ3-CG2 4.35Å; W251-L298 HydrophobicContact CH2-CD1 4.48Å; W251-L298 HydrophobicContact CZ2-CD1 4.29Å; W251-Y377 AromaticContact CE2-CE1 3.72Å; W251-Y377 HydrophobicContact CZ2-CD1 4.33Å; W251-Y377 AromaticContact CZ2-CE1 3.44Å; W251-Y377 HydrophobicContact CZ2-CE1 3.44Å; W251-Y377 VanDerWaalsContact CZ2-CE1 3.44Å; W251-Y377 AromaticContact CZ2-CZ 3.89Å; W251-Y377 AromaticContact NE1-CD1 3.77Å; W251-Y377 AromaticContact NE1-CE1 3.5Å; W251-Y377 AromaticContact NE1-CZ 3.78Å; W251-Y377 PolarHBondContact NE1-O 3.35Å; W251-F378 HydrophobicContact CD2-CD1 4.05Å; W251-F378 AromaticContact CE2-CD1 3.83Å; W251-F378 HydrophobicContact CE3-CD1 4.43Å; W251-F378 HydrophobicContact CH2-CE1 4.24Å; W251-F378 HydrophobicContact CZ2-CD1 4.09Å; W251-F378 AromaticContact CZ2-CE1 3.95Å; W251-F378 HydrophobicContact CZ2-CE1 3.95Å
252	L	89.3	Confident	86.2	Confident	32 Å²	32	62 Å²	62	17%	0.168	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-73.8	-5.2	177.7	-56.4	177.3	0	0	0	114.1	W244 Q249 S250 E254 E264 I268	W244-L252 HydrophobicContact CB-CD1 4.41Å; W244-L252 HydrophobicContact CG-CD1 3.98Å; Q249-L252 PolarHBondContact O-N 2.94Å; Q249-L252 VanDerWaalsContact O-N 3.14Å; S250-L252 PolarHBondContact O-N 3.34Å; L252-E254 VanDerWaalsContact C-N 3.34Å; L252-E264 HydrophobicContact CD2-CG 4.5Å; L252-I268 HydrophobicContact CD1-CD1 4.19Å; L252-I268 HydrophobicContact CD2-CG2 3.47Å; L252-I268 VanDerWaalsContact CD2-CG2 3.47Å
253	M	86.1	Confident	85.9	Confident	148 Å²	148	58 Å²	58	73%	0.729	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-88.1	-6.4	179.7	-57.4	-65.9	176	0	0	112.7	S250 W251	S250-M253 WeakPolarHBondContact O-CB 3.37Å; S250-M253 PolarHBondContact O-N 2.95Å; S250-M253 VanDerWaalsContact O-N 3.12Å; W251-M253 PolarHBondContact O-N 3.31Å; W251-M253 VanDerWaalsContact O-N 3.16Å
254	E	85.8	Confident	85.8	Confident	117 Å²	117	60.4 Å²	60.4	55%	0.547	33%	0.332	S	S	.	.	S	Bend	trans	-114.6	168.6	-179.1	-67	-177.5	-163.3	0	0	111.3	W251 L252 H256	W251-E254 PolarHBondContact O-N 3.13Å; L252-E254 VanDerWaalsContact C-N 3.34Å; E254-H256 WeakPolarHBondContact CB-NE2 3.15Å; E254-H256 IonicContact OE2-CE1 3.97Å
255	N	83.6	Confident	85.5	Confident	123 Å²	123	65 Å²	65	66%	0.658	36%	0.355	S	S	*	.			trans	-94.2	101.7	-178.4	-177.4	27.7	0	0	0	111.4
256	H	85.6	Confident	85	Confident	1 Å²	1	69 Å²	69	1%	0.005	37%	0.373	C	S	.	.			trans	-109.4	10.3	-178.3	-61.1	-62.3	0	0	0	114.2	W251 E254 W258 D341 Y377	W251-H256 AromaticContact CD1-CD2 3.91Å; W251-H256 AromaticContact CD1-CE1 3.82Å; W251-H256 AromaticContact CD1-NE2 3.38Å; W251-H256 AromaticContact CD2-CD2 3.55Å; W251-H256 AromaticContact CD2-NE2 3.83Å; W251-H256 AromaticContact CE2-CD2 3.23Å; W251-H256 AromaticContact CE2-CE1 3.99Å; W251-H256 AromaticContact CE2-CG 3.48Å; W251-H256 VanDerWaalsContact CE2-CG 3.48Å; W251-H256 AromaticContact CE2-ND1 3.93Å; W251-H256 AromaticContact CE2-NE2 3.56Å; W251-H256 AromaticContact CG-CD2 3.98Å; W251-H256 AromaticContact CG-NE2 3.73Å; W251-H256 HydrophobicContact CH2-CB 3.59Å; W251-H256 AromaticContact CH2-CD2 3.94Å; W251-H256 AromaticContact CH2-CG 3.92Å; W251-H256 HydrophobicContact CZ2-CB 3.32Å; W251-H256 AromaticContact CZ2-CD2 3.45Å; W251-H256 VanDerWaalsContact CZ2-CD2 3.45Å; W251-H256 WeakPolarHBondContact CZ2-CD2 3.41Å; W251-H256 AromaticContact CZ2-CG 3.29Å; W251-H256 AromaticContact CZ2-ND1 3.99Å; W251-H256 AromaticContact NE1-CD2 3.5Å; W251-H256 AromaticContact NE1-CE1 3.46Å; W251-H256 PolarHBondContact NE1-CE1 3.34Å; W251-H256 AromaticContact NE1-CG 3.74Å; W251-H256 AromaticContact NE1-ND1 3.7Å; W251-H256 AromaticContact NE1-NE2 3.3Å; W251-H256 PolarHBondContact NE1-NE2 3.45Å; W251-H256 PolarHBondContact O-CD2 3.37Å; W251-H256 PolarHBondContact O-NE2 3.05Å; E254-H256 WeakPolarHBondContact CB-NE2 3.15Å; E254-H256 IonicContact OE2-CE1 3.97Å; H256-W258 PolarHBondContact O-NE1 2.54Å; H256-D341 IonicContact CE1-OD2 2.89Å; H256-D341 PolarHBondContact CE1-OD2 2.94Å; H256-D341 IonicContact CG-OD1 2.61Å; H256-D341 IonicContact ND1-OD1 3.82Å; H256-D341 PolarHBondContact ND1-OD1 3.4Å; H256-D341 IonicContact ND1-OD2 3.88Å; H256-D341 PolarHBondContact ND1-OD2 3.34Å; H256-Y377 AromaticContact ND1-CZ 3.92Å; H256-Y377 PolarHBondContact ND1-OH 3.19Å
257	F	83.6	Confident	84.7	Confident	43 Å²	43	64.7 Å²	64.7	19%	0.189	34%	0.337	C	S	.	.			trans	-106.7	75.2	-173.7	-57.7	-77.2	0	0	0	110.2	D259 G260 I262 E264 V267	F257-D259 PolarHBondContact O-N 3.46Å; F257-G260 PolarHBondContact O-N 2.97Å; F257-I262 HydrophobicContact CD1-CG2 3.7Å; F257-I262 WeakPolarHBondContact CD1-O 3.46Å; F257-I262 HydrophobicContact CE1-CG2 4.4Å; F257-E264 HydrophobicContact CE1-CB 4.3Å; F257-E264 HydrophobicContact CE2-CB 4.15Å; F257-E264 HydrophobicContact CE2-CG 4.34Å; F257-E264 VanDerWaalsContact CZ-CA 3.43Å; F257-E264 HydrophobicContact CZ-CB 3.68Å; F257-E264 HydrophobicContact CZ-CG 3.87Å; F257-V267 HydrophobicContact CD1-CG2 4.44Å; F257-V267 HydrophobicContact CE1-CB 4.06Å; F257-V267 HydrophobicContact CE1-CG2 3.73Å
258	W	81.9	Confident	84.5	Confident	32 Å²	32	64.2 Å²	64.2	12%	0.121	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.6	-163.6	-35.5	-55.9	0	0	0	114.9	H256 L298 C301 I302 L337 C340 D341 Y377	H256-W258 PolarHBondContact O-NE1 2.54Å; W258-L298 HydrophobicContact CH2-CB 4.01Å; W258-L298 HydrophobicContact CH2-CD2 4.45Å; W258-L298 HydrophobicContact CZ3-CB 4.34Å; W258-L298 WeakPolarHBondContact CZ3-O 3.47Å; W258-C301 HydrophobicContact CE3-CB 3.83Å; W258-C301 HydrophobicContact CZ3-CB 4.19Å; W258-I302 HydrophobicContact CH2-CG1 4.25Å; W258-I302 HydrophobicContact CZ3-CD1 4.4Å; W258-I302 HydrophobicContact CZ3-CG1 3.62Å; W258-L337 HydrophobicContact CH2-CD2 3.63Å; W258-L337 HydrophobicContact CZ2-CD2 4.25Å; W258-C340 HydrophobicContact CD2-CB 3.32Å; W258-C340 HydrophobicContact CE3-CB 3.65Å; W258-C340 HydrophobicContact CG-CB 3.87Å; W258-C340 HydrophobicContact CH2-CB 3.66Å; W258-C340 HydrophobicContact CZ2-CB 3.32Å; W258-C340 HydrophobicContact CZ3-CB 3.83Å; W258-D341 PolarHBondContact NE1-OD1 3.32Å; W258-Y377 WeakPolarHBondContact CZ2-OH 3.2Å
259	D	75	Confident	84.1	Confident	59 Å²	59	66.2 Å²	66.2	32%	0.316	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-6.5	-179.4	76.2	-8.4	0	0	0	113.7	F257 K261 I262 C301	F257-D259 PolarHBondContact O-N 3.46Å; D259-K261 PolarHBondContact O-N 3.21Å; D259-K261 VanDerWaalsContact O-N 3.13Å; D259-K261 PolarHBondContact OD1-N 3.24Å; D259-I262 PolarHBondContact OD1-N 3.47Å; D259-C301 HydrophobicContact CB-CB 4.26Å; D259-C301 PolarHBondContact OD1-SG 3.31Å; D259-C301 VanDerWaalsContact OD1-SG 3.39Å; D259-C301 PolarHBondContact OD2-SG 2.79Å
260	G	74.1	Confident	84.1	Confident	65 Å²	65	62.1 Å²	62.1	67%	0.67	33%	0.328	S	S	*	.	S	Bend	trans	62.4	8.7	-176.5	0	0	0	0	0	115.4	F257	F257-G260 PolarHBondContact O-N 2.97Å
261	K	77	Confident	84.2	Confident	170 Å²	170	59.9 Å²	59.9	74%	0.739	31%	0.311	S	S	*	.			trans	-95.2	-32.7	-178.5	-64.1	177.7	-175.8	169	0	112.4	D259	D259-K261 PolarHBondContact O-N 3.21Å; D259-K261 VanDerWaalsContact O-N 3.13Å; D259-K261 PolarHBondContact OD1-N 3.24Å
262	I	80.2	Confident	84.4	Confident	13 Å²	13	59.8 Å²	59.8	7%	0.067	31%	0.311	C	S	.	.	S	Bend	trans	-87.5	130.6	-178.9	-154	166.3	0	0	0	110	F257 D259 E266 V267 Q297	F257-I262 HydrophobicContact CD1-CG2 3.7Å; F257-I262 WeakPolarHBondContact CD1-O 3.46Å; F257-I262 HydrophobicContact CE1-CG2 4.4Å; D259-I262 PolarHBondContact OD1-N 3.47Å; I262-E266 HydrophobicContact CG1-CB 4.32Å; I262-E266 VanDerWaalsContact CG1-OE2 3.32Å; I262-E266 WeakPolarHBondContact CG1-OE2 3.26Å; I262-V267 HydrophobicContact CD1-CG2 3.96Å; I262-V267 HydrophobicContact CG1-CG2 4.03Å; I262-V267 HydrophobicContact CG2-CG2 4.18Å; I262-Q297 HydrophobicContact CD1-CB 3.47Å; I262-Q297 VanDerWaalsContact CD1-CB 3.47Å; I262-Q297 WeakPolarHBondContact CD1-O 3.47Å
263	T	82.8	Confident	84.8	Confident	62 Å²	62	58.3 Å²	58.3	38%	0.38	30%	0.303	S	S	.	.			trans	-84.8	156.9	-178.3	86	0	0	0	0	110.9	E265 E266 V267	T263-E265 VanDerWaalsContact C-N 3.26Å; T263-E265 WeakPolarHBondContact CB-OE2 3.09Å; T263-E265 PolarHBondContact O-N 3.44Å; T263-E265 PolarHBondContact OG1-N 2.96Å; T263-E265 PolarHBondContact OG1-OE2 3.3Å; T263-E266 PolarHBondContact O-N 3.27Å; T263-E266 PolarHBondContact OG1-N 2.81Å; T263-V267 PolarHBondContact O-N 2.95Å
264	E	84.1	Confident	85.4	Confident	78 Å²	78	51.2 Å²	51.2	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-56.4	-44.9	175.2	-176.5	178.7	166.1	0	0	110.8	L252 F257 E266 V267 I268	L252-E264 HydrophobicContact CD2-CG 4.5Å; F257-E264 HydrophobicContact CE1-CB 4.3Å; F257-E264 HydrophobicContact CE2-CB 4.15Å; F257-E264 HydrophobicContact CE2-CG 4.34Å; F257-E264 VanDerWaalsContact CZ-CA 3.43Å; F257-E264 HydrophobicContact CZ-CB 3.68Å; F257-E264 HydrophobicContact CZ-CG 3.87Å; E264-E266 VanDerWaalsContact C-N 3.28Å; E264-E266 PolarHBondContact O-N 2.97Å; E264-V267 PolarHBondContact O-N 3.49Å; E264-I268 HydrophobicContact CG-CD1 3.91Å; E264-I268 HydrophobicContact CG-CG1 4.25Å; E264-I268 HydrophobicContact CG-CG2 4.14Å; E264-I268 WeakPolarHBondContact O-CG1 2.91Å; E264-I268 PolarHBondContact O-N 2.84Å
265	E	84.9	Confident	85.9	Confident	130 Å²	130	46 Å²	46	61%	0.607	24%	0.244	S	C	*	.	H	α-helix	trans	-59.5	-36.3	-178.3	-59.2	77.9	-169.6	0	0	113	T263 S269	T263-E265 VanDerWaalsContact C-N 3.26Å; T263-E265 WeakPolarHBondContact CB-OE2 3.09Å; T263-E265 PolarHBondContact O-N 3.44Å; T263-E265 PolarHBondContact OG1-N 2.96Å; T263-E265 PolarHBondContact OG1-OE2 3.3Å; E265-S269 PolarHBondContact O-N 3.07Å
266	E	81.1	Confident	86.4	Confident	97 Å²	97	40.2 Å²	40.2	45%	0.453	21%	0.213	S	C	.	.	H	α-helix	trans	-65.5	-43.6	176.2	-71	-175	149	0	0	111.2	I262 T263 E264 S269	I262-E266 HydrophobicContact CG1-CB 4.32Å; I262-E266 VanDerWaalsContact CG1-OE2 3.32Å; I262-E266 WeakPolarHBondContact CG1-OE2 3.26Å; T263-E266 PolarHBondContact O-N 3.27Å; T263-E266 PolarHBondContact OG1-N 2.81Å; E264-E266 VanDerWaalsContact C-N 3.28Å; E264-E266 PolarHBondContact O-N 2.97Å; E266-S269 PolarHBondContact O-OG 3.01Å
267	V	82.8	Confident	86.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-73.2	-40.6	-177.6	179.2	0	0	0	0	111.5	W251 F257 I262 T263 E264 S269 S294 Q297 L298	W251-V267 HydrophobicContact CH2-CG1 3.94Å; W251-V267 HydrophobicContact CZ3-CG1 4.23Å; F257-V267 HydrophobicContact CD1-CG2 4.44Å; F257-V267 HydrophobicContact CE1-CB 4.06Å; F257-V267 HydrophobicContact CE1-CG2 3.73Å; I262-V267 HydrophobicContact CD1-CG2 3.96Å; I262-V267 HydrophobicContact CG1-CG2 4.03Å; I262-V267 HydrophobicContact CG2-CG2 4.18Å; T263-V267 PolarHBondContact O-N 2.95Å; E264-V267 PolarHBondContact O-N 3.49Å; V267-S269 PolarHBondContact O-N 3.22Å; V267-S294 WeakPolarHBondContact O-CA 3.41Å; V267-S294 WeakPolarHBondContact O-CB 3.47Å; V267-S294 PolarHBondContact O-OG 3.49Å; V267-Q297 HydrophobicContact CG2-CB 4.03Å; V267-L298 HydrophobicContact CG1-CD1 4.44Å; V267-L298 HydrophobicContact CG1-CD2 4.32Å; V267-L298 HydrophobicContact CG1-CG 4.2Å; V267-L298 HydrophobicContact CG2-CD2 4.13Å; V267-L298 HydrophobicContact CG2-CG 4.46Å
268	I	87.3	Confident	87.1	Confident	34 Å²	34	39.6 Å²	39.6	17%	0.174	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	14.3	-171.7	76	168.5	0	0	0	113.9	G243 W244 W251 L252 E264 G270	G243-I268 CarbonylContact C-O 3.57Å; W244-I268 HydrophobicContact CD2-CB 4.18Å; W244-I268 HydrophobicContact CD2-CG2 4.24Å; W244-I268 HydrophobicContact CE3-CB 3.68Å; W244-I268 HydrophobicContact CE3-CG2 3.94Å; W244-I268 HydrophobicContact CZ3-CB 4.2Å; W244-I268 HydrophobicContact CZ3-CG2 4.13Å; W251-I268 HydrophobicContact CZ3-CG2 4.35Å; L252-I268 HydrophobicContact CD1-CD1 4.19Å; L252-I268 HydrophobicContact CD2-CG2 3.47Å; L252-I268 VanDerWaalsContact CD2-CG2 3.47Å; E264-I268 HydrophobicContact CG-CD1 3.91Å; E264-I268 HydrophobicContact CG-CG1 4.25Å; E264-I268 HydrophobicContact CG-CG2 4.14Å; E264-I268 WeakPolarHBondContact O-CG1 2.91Å; E264-I268 PolarHBondContact O-N 2.84Å; I268-G270 PolarHBondContact O-N 2.87Å; I268-G270 VanDerWaalsContact O-N 3.12Å
269	S	85.1	Confident	87.4	Confident	42 Å²	42	46.8 Å²	46.8	29%	0.294	24%	0.243	S	C	.	.	S	Bend	trans	-59.8	-24.8	-173.2	57.9	0	0	0	0	115	G243 E265 E266 V267 R293	G243-S269 PolarHBondContact N-O 3.45Å; G243-S269 VanDerWaalsContact N-O 3.11Å; E265-S269 PolarHBondContact O-N 3.07Å; E266-S269 PolarHBondContact O-OG 3.01Å; V267-S269 PolarHBondContact O-N 3.22Å; S269-R293 VanDerWaalsContact OG-CD 3.24Å; S269-R293 WeakPolarHBondContact OG-CD 3.24Å
270	G	90.3	Very high	88.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.			trans	176.7	167.3	177.7	0	0	0	0	0	113.5	F241 G243 I268	F241-G270 VanDerWaalsContact O-CA 3.27Å; F241-G270 WeakPolarHBondContact O-CA 3.33Å; G243-G270 WeakPolarHBondContact O-CA 3.27Å; I268-G270 PolarHBondContact O-N 2.87Å; I268-G270 VanDerWaalsContact O-N 3.12Å
271	F	94.2	Very high	88.9	Confident	10 Å²	10	51.2 Å²	51.2	4%	0.044	25%	0.248	C	C	.	.			trans	-134.8	170.3	175.8	71.7	-81.5	0	0	0	110.5	L136 F241 G243 P245 L289 F291	L136-F271 HydrophobicContact CD1-CE2 4.27Å; L136-F271 HydrophobicContact CD1-CZ 4.18Å; F241-F271 HydrophobicContact CB-CD1 3.67Å; F241-F271 HydrophobicContact CB-CD2 4.36Å; F241-F271 HydrophobicContact CB-CE1 3.35Å; F241-F271 HydrophobicContact CB-CE2 4.09Å; F241-F271 HydrophobicContact CB-CG 4.17Å; F241-F271 HydrophobicContact CB-CZ 3.58Å; F241-F271 HydrophobicContact CD1-CE1 4.11Å; F241-F271 HydrophobicContact CD1-CE2 4.27Å; F241-F271 AromaticContact CD1-CZ 3.61Å; F241-F271 HydrophobicContact CD1-CZ 3.61Å; F241-F271 HydrophobicContact CD2-CD2 4.13Å; F241-F271 HydrophobicContact CD2-CE1 4.43Å; F241-F271 AromaticContact CD2-CE2 3.62Å; F241-F271 HydrophobicContact CD2-CE2 3.62Å; F241-F271 AromaticContact CD2-CZ 3.79Å; F241-F271 HydrophobicContact CD2-CZ 3.79Å; F241-F271 HydrophobicContact CE1-CZ 4.19Å; F241-F271 HydrophobicContact CE2-CE2 4.1Å; F241-F271 HydrophobicContact CE2-CZ 4.39Å; F241-F271 HydrophobicContact CG-CD1 4.36Å; F241-F271 HydrophobicContact CG-CD2 4.37Å; F241-F271 AromaticContact CG-CE1 3.74Å; F241-F271 HydrophobicContact CG-CE1 3.74Å; F241-F271 AromaticContact CG-CE2 3.74Å; F241-F271 HydrophobicContact CG-CE2 3.74Å; F241-F271 AromaticContact CG-CZ 3.37Å; F241-F271 HydrophobicContact CG-CZ 3.37Å; F241-F271 PolarHBondContact N-O 2.8Å; F241-F271 PolarHBondContact O-N 3.26Å; G243-F271 WeakPolarHBondContact O-CD1 3.38Å; P245-F271 HydrophobicContact CB-CD1 4.22Å; P245-F271 HydrophobicContact CB-CE1 3.83Å; P245-F271 HydrophobicContact CB-CE2 4.26Å; P245-F271 HydrophobicContact CB-CZ 3.87Å; P245-F271 HydrophobicContact CG-CD1 3.98Å; P245-F271 HydrophobicContact CG-CD2 4.34Å; P245-F271 HydrophobicContact CG-CE1 4.12Å; P245-F271 HydrophobicContact CG-CE2 4.49Å; P245-F271 HydrophobicContact CG-CG 4.1Å; P245-F271 HydrophobicContact CG-CZ 4.38Å; F271-L289 HydrophobicContact CD2-CG 4.44Å; F271-L289 HydrophobicContact CE2-CD2 4.46Å; F271-L289 HydrophobicContact CE2-CG 4.45Å; F271-F291 HydrophobicContact CB-CD1 4.09Å; F271-F291 HydrophobicContact CB-CE1 4.14Å
272	Y	97.1	Very high	89.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	157.3	176.6	-56.8	-84.1	0	0	0	111.1	L87 L121 V238 V239 S240 L289 S290 R293	L87-Y272 HydrophobicContact CD2-CE2 3.8Å; L121-Y272 HydrophobicContact CD1-CD2 3.99Å; L121-Y272 HydrophobicContact CD1-CE2 4.15Å; L121-Y272 HydrophobicContact CD1-CG 4.24Å; V238-Y272 HydrophobicContact CB-CD1 4.39Å; V238-Y272 HydrophobicContact CG2-CD1 3.76Å; V238-Y272 HydrophobicContact CG2-CE1 4.32Å; V239-Y272 CarbonylContact O-C 3.26Å; V239-Y272 VanDerWaalsContact O-CA 3.24Å; V239-Y272 WeakPolarHBondContact O-CA 2.72Å; S240-Y272 WeakPolarHBondContact OG-CE1 3.27Å; Y272-L289 CarbonylContact O-C 3.52Å; Y272-L289 WeakPolarHBondContact O-CA 3.45Å; Y272-S290 PolarHBondContact N-O 2.83Å; Y272-S290 PolarHBondContact O-N 3.46Å; Y272-R293 HydrophobicContact CE2-CB 4.04Å; Y272-R293 PolarHBondContact OH-NE 3.25Å; Y272-R293 PolarHBondContact OH-NH2 2.95Å
273	L	98	Very high	90.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.7	155.4	-69	179.8	0	0	0	108.1	L136 L148 V238 V239 F241 W287 R288 L289	L136-L273 HydrophobicContact CD2-CD1 3.81Å; L148-L273 HydrophobicContact CB-CD1 4.42Å; V238-L273 WeakPolarHBondContact CA-O 3.34Å; V238-L273 WeakPolarHBondContact CB-O 3.45Å; V239-L273 HydrophobicContact CB-CB 4.08Å; V239-L273 HydrophobicContact CB-CD1 4.49Å; V239-L273 PolarHBondContact N-O 3.27Å; V239-L273 PolarHBondContact O-N 3.03Å; F241-L273 HydrophobicContact CD2-CG 4.43Å; F241-L273 HydrophobicContact CE2-CB 4.29Å; F241-L273 HydrophobicContact CE2-CD1 3.63Å; F241-L273 HydrophobicContact CE2-CG 3.57Å; F241-L273 HydrophobicContact CZ-CD1 3.76Å; F241-L273 HydrophobicContact CZ-CG 4.17Å; L273-W287 HydrophobicContact CB-CB 3.75Å; L273-W287 HydrophobicContact CB-CD2 4.16Å; L273-W287 HydrophobicContact CB-CE3 3.98Å; L273-W287 HydrophobicContact CB-CG 4.1Å; L273-W287 HydrophobicContact CD1-CB 4.11Å; L273-W287 HydrophobicContact CD1-CG 4.28Å; L273-W287 HydrophobicContact CD2-CB 4.08Å; L273-W287 HydrophobicContact CG-CB 4.19Å; L273-R288 CarbonylContact C-O 3.39Å; L273-R288 WeakPolarHBondContact CA-O 3.23Å; L273-L289 HydrophobicContact CD2-CD1 3.85Å; L273-L289 HydrophobicContact CD2-CG 3.94Å
274	V	97.9	Very high	90.8	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	151.8	178.3	-62.8	0	0	0	0	110.5	V98 L100 V238 A276 R288 S290	V98-V274 HydrophobicContact CG1-CG1 4.1Å; L100-V274 HydrophobicContact CD2-CB 3.85Å; L100-V274 HydrophobicContact CD2-CG2 3.87Å; V238-V274 HydrophobicContact CG1-CG1 3.87Å; V274-A276 HydrophobicContact CG2-CB 4.5Å; V274-A276 PolarHBondContact O-N 2.93Å; V274-R288 HydrophobicContact CG2-CB 4Å; V274-R288 WeakPolarHBondContact CG2-O 3.45Å; V274-R288 PolarHBondContact N-O 2.88Å; V274-R288 PolarHBondContact O-N 2.85Å; V274-S290 VanDerWaalsContact CG1-CB 3.49Å
275	P	96.4	Very high	91.3	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.039	25%	0.248	C	C	.	.	S	Bend	trans	-82.6	68.8	-172	35.7	-37.5	0	0	0	111.2	P181 T218 V236 P237 W287	P181-P275 HydrophobicContact CB-CB 3.5Å; P181-P275 VanDerWaalsContact CB-CB 3.5Å; T218-P275 HydrophobicContact CG2-CB 3.93Å; T218-P275 WeakPolarHBondContact OG1-CG 3.44Å; T218-P275 PolarHBondContact OG1-O 3.15Å; V236-P275 VanDerWaalsContact CG1-CD 3.43Å; V236-P275 HydrophobicContact CG1-CG 3.64Å; P237-P275 WeakPolarHBondContact O-CD 3.26Å; P275-W287 HydrophobicContact CB-CE3 4.37Å; P275-W287 HydrophobicContact CB-CZ3 4.03Å
276	A	94.5	Very high	91.8	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	22%	0.22	C	C	.	.			trans	-127.8	142.5	175.6	0	0	0	0	0	110	L100 D101 V274 R288	L100-A276 HydrophobicContact CD2-CB 4.11Å; D101-A276 WeakPolarHBondContact OD2-CA 3.46Å; V274-A276 HydrophobicContact CG2-CB 4.5Å; V274-A276 PolarHBondContact O-N 2.93Å; A276-R288 HydrophobicContact CB-CB 3.95Å; A276-R288 PolarHBondContact O-N 3.35Å
277	C	92.8	Very high	92.5	Very high	14 Å²	14	41.1 Å²	41.1	10%	0.095	20%	0.198	C	C	.	.			trans	-111.4	150.1	-172.7	-174.2	0	0	0	0	110.6	D101 G281 K282 K283 E286 R288	D101-C277 PolarHBondContact OD2-N 3.01Å; C277-G281 VanDerWaalsContact SG-C 3.54Å; C277-K282 VanDerWaalsContact SG-C 3.54Å; C277-K283 HydrophobicContact CB-CB 4.43Å; C277-K283 HydrophobicContact CB-CG 3.89Å; C277-K283 VanDerWaalsContact SG-CA 3.57Å; C277-K283 PolarHBondContact SG-N 2.98Å; C277-K283 VanDerWaalsContact SG-N 3.39Å; C277-E286 PolarHBondContact SG-OE2 3.3Å; C277-R288 PolarHBondContact O-NH2 3.23Å; C277-R288 VanDerWaalsContact O-NH2 3.13Å
278	S	91.9	Very high	93.2	Very high	17 Å²	17	42.4 Å²	42.4	12%	0.119	20%	0.203	C	C	.	.			trans	-73.4	157.2	171.1	71.4	0	0	0	0	110.7	H145 K280 G281 E286	H145-S278 PolarHBondContact CD2-N 2.62Å; H145-S278 PolarHBondContact NE2-N 3.25Å; S278-K280 PolarHBondContact O-N 3.42Å; S278-K280 VanDerWaalsContact O-N 3.11Å; S278-G281 PolarHBondContact O-N 3.36Å; S278-G281 VanDerWaalsContact OG-CA 3.25Å; S278-G281 WeakPolarHBondContact OG-CA 3.32Å; S278-G281 PolarHBondContact OG-N 3.1Å; S278-E286 VanDerWaalsContact CB-OE2 3.32Å; S278-E286 WeakPolarHBondContact CB-OE2 3.31Å; S278-E286 PolarHBondContact N-OE2 3.19Å; S278-E286 PolarHBondContact OG-OE1 3.14Å; S278-E286 PolarHBondContact OG-OE2 3.42Å
279	Y	88	Confident	93.7	Very high	183 Å²	183	41.2 Å²	41.2	72%	0.718	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.8	-176.4	178	-112.7	0	0	0	114.3	H387	Y279-H387 HydrophobicContact CD1-CB 4.06Å; Y279-H387 HydrophobicContact CD2-CB 4.27Å; Y279-H387 HydrophobicContact CG-CB 3.76Å
280	K	88.9	Confident	94.3	Very high	192 Å²	192	39.4 Å²	39.4	84%	0.835	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.2	7.6	178	-63.2	-178.6	-179	171.4	0	113	S278	S278-K280 PolarHBondContact O-N 3.42Å; S278-K280 VanDerWaalsContact O-N 3.11Å
281	G	90.9	Very high	94.6	Very high	25 Å²	25	39.5 Å²	39.5	26%	0.258	18%	0.184	S	C	.	.	S	Bend	trans	-81	178.9	-171.9	0	0	0	0	0	114.5	C277 S278 E286	C277-G281 VanDerWaalsContact SG-C 3.54Å; S278-G281 PolarHBondContact O-N 3.36Å; S278-G281 VanDerWaalsContact OG-CA 3.25Å; S278-G281 WeakPolarHBondContact OG-CA 3.32Å; S278-G281 PolarHBondContact OG-N 3.1Å; G281-E286 VanDerWaalsContact CA-CD 3.43Å; G281-E286 VanDerWaalsContact CA-OE1 3.29Å; G281-E286 WeakPolarHBondContact CA-OE1 3.49Å; G281-E286 VanDerWaalsContact CA-OE2 3.27Å; G281-E286 WeakPolarHBondContact CA-OE2 3.27Å
282	K	92.9	Very high	94.5	Very high	126 Å²	126	39.1 Å²	39.1	55%	0.548	18%	0.183	S	C	.	.			trans	-101.6	107.6	171.7	-63.8	-169.9	-171.6	178.3	0	109.7	W147 C277 D284 N285 E286	W147-K282 HydrophobicContact CH2-CD 4.03Å; W147-K282 HydrophobicContact CZ2-CB 4.36Å; W147-K282 HydrophobicContact CZ2-CD 3.76Å; W147-K282 HydrophobicContact CZ2-CG 4.29Å; C277-K282 VanDerWaalsContact SG-C 3.54Å; K282-D284 PolarHBondContact O-N 2.83Å; K282-D284 VanDerWaalsContact O-N 3.12Å; K282-N285 HydrophobicContact CB-CB 4.18Å; K282-N285 PolarHBondContact O-N 3.42Å; K282-E286 PolarHBondContact O-N 3.13Å
283	K	92.1	Very high	94.1	Very high	119 Å²	119	40.7 Å²	40.7	52%	0.517	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-38.2	-178.1	-70.7	-171.8	173.2	-173.1	0	113.3	E104 P181 T182 C277 N285	E104-K283 IonicContact OE1-NZ 2.61Å; E104-K283 PolarHBondContact OE1-NZ 3.46Å; P181-K283 VanDerWaalsContact CG-O 3.32Å; P181-K283 WeakPolarHBondContact CG-O 3.33Å; T182-K283 HydrophobicContact CG2-CB 4.44Å; C277-K283 HydrophobicContact CB-CB 4.43Å; C277-K283 HydrophobicContact CB-CG 3.89Å; C277-K283 VanDerWaalsContact SG-CA 3.57Å; C277-K283 PolarHBondContact SG-N 2.98Å; C277-K283 VanDerWaalsContact SG-N 3.39Å; K283-N285 PolarHBondContact O-N 2.88Å
284	D	94.8	Very high	93.7	Very high	79 Å²	79	40.7 Å²	40.7	42%	0.422	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-6	-178.8	-65.3	-27.5	0	0	0	114.7	T166 S180 P181 T182 K282	T166-D284 HydrophobicContact CG2-CB 3.85Å; S180-D284 VanDerWaalsContact CA-O 3.24Å; S180-D284 WeakPolarHBondContact CA-O 3.37Å; S180-D284 WeakPolarHBondContact CB-O 3.5Å; S180-D284 PolarHBondContact OG-O 3.38Å; P181-D284 WeakPolarHBondContact CD-O 3.41Å; T182-D284 WeakPolarHBondContact CB-OD1 3.21Å; T182-D284 WeakPolarHBondContact CG2-OD1 3.47Å; T182-D284 PolarHBondContact OG1-OD1 2.8Å; K282-D284 PolarHBondContact O-N 2.83Å; K282-D284 VanDerWaalsContact O-N 3.12Å
285	N	94.9	Very high	93.4	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.07	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-31.3	-174.5	-73.3	82.7	0	0	0	113.5	W147 T166 K282 K283	W147-N285 WeakPolarHBondContact CA-O 3.43Å; W147-N285 HydrophobicContact CD2-CB 3.61Å; W147-N285 VanDerWaalsContact CE2-CB 3.45Å; W147-N285 HydrophobicContact CE3-CB 4.16Å; W147-N285 HydrophobicContact CG-CB 3.88Å; W147-N285 HydrophobicContact CH2-CB 4.41Å; W147-N285 HydrophobicContact CZ2-CB 3.91Å; T166-N285 PolarHBondContact OG1-ND2 2.64Å; K282-N285 HydrophobicContact CB-CB 4.18Å; K282-N285 PolarHBondContact O-N 3.42Å; K283-N285 PolarHBondContact O-N 2.88Å
286	E	95.2	Very high	93	Very high	2 Å²	2	42 Å²	42	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.7	-172	-76	-168.6	171.1	0	0	112.8	S141 P181 C277 S278 G281 K282	S141-E286 WeakPolarHBondContact CA-OE1 3.44Å; P181-E286 WeakPolarHBondContact CG-O 3.45Å; C277-E286 PolarHBondContact SG-OE2 3.3Å; S278-E286 VanDerWaalsContact CB-OE2 3.32Å; S278-E286 WeakPolarHBondContact CB-OE2 3.31Å; S278-E286 PolarHBondContact N-OE2 3.19Å; S278-E286 PolarHBondContact OG-OE1 3.14Å; S278-E286 PolarHBondContact OG-OE2 3.42Å; G281-E286 VanDerWaalsContact CA-CD 3.43Å; G281-E286 VanDerWaalsContact CA-OE1 3.29Å; G281-E286 WeakPolarHBondContact CA-OE1 3.49Å; G281-E286 VanDerWaalsContact CA-OE2 3.27Å; G281-E286 WeakPolarHBondContact CA-OE2 3.27Å; K282-E286 PolarHBondContact O-N 3.13Å
287	W	97.3	Very high	92.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	149	163.3	-60.4	78.5	0	0	0	109.9	H145 S146 F179 P181 V239 L273 P275	H145-W287 CarbonylContact C-O 3.49Å; H145-W287 WeakPolarHBondContact CA-O 3.41Å; S146-W287 PolarHBondContact N-O 3.24Å; S146-W287 PolarHBondContact O-N 3.33Å; F179-W287 AromaticContact CD1-CE2 3.98Å; F179-W287 HydrophobicContact CD1-CH2 4.2Å; F179-W287 AromaticContact CD1-CZ2 3.39Å; F179-W287 HydrophobicContact CD1-CZ2 3.39Å; F179-W287 HydrophobicContact CE1-CH2 4.03Å; F179-W287 AromaticContact CE1-CZ2 3.67Å; F179-W287 HydrophobicContact CE1-CZ2 3.67Å; F179-W287 HydrophobicContact CG-CZ2 4.38Å; F179-W287 PolarHBondContact O-NE1 2.8Å; P181-W287 HydrophobicContact CB-CD2 3.92Å; P181-W287 HydrophobicContact CB-CE3 4.06Å; P181-W287 HydrophobicContact CB-CH2 3.77Å; P181-W287 HydrophobicContact CB-CZ2 3.61Å; P181-W287 HydrophobicContact CB-CZ3 3.99Å; P181-W287 HydrophobicContact CG-CD2 4.39Å; P181-W287 HydrophobicContact CG-CZ2 4.4Å; V239-W287 HydrophobicContact CG2-CH2 4.26Å; V239-W287 HydrophobicContact CG2-CZ2 4.34Å; V239-W287 HydrophobicContact CG2-CZ3 4.4Å; L273-W287 HydrophobicContact CB-CB 3.75Å; L273-W287 HydrophobicContact CB-CD2 4.16Å; L273-W287 HydrophobicContact CB-CE3 3.98Å; L273-W287 HydrophobicContact CB-CG 4.1Å; L273-W287 HydrophobicContact CD1-CB 4.11Å; L273-W287 HydrophobicContact CD1-CG 4.28Å; L273-W287 HydrophobicContact CD2-CB 4.08Å; L273-W287 HydrophobicContact CG-CB 4.19Å; P275-W287 HydrophobicContact CB-CE3 4.37Å; P275-W287 HydrophobicContact CB-CZ3 4.03Å
288	R	97.2	Very high	92.4	Very high	26 Å²	26	43 Å²	43	10%	0.098	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	140.2	170.7	-168.7	178.4	-62.5	167.1	10.4	110.3	D99 D101 C144 H145 L273 V274 A276 C277	D99-R288 IonicContact OD1-NH1 3.48Å; D99-R288 PolarHBondContact OD1-NH1 3.37Å; D99-R288 WeakPolarHBondContact OD2-CD 3.39Å; D99-R288 IonicContact OD2-CZ 2.7Å; D99-R288 IonicContact OD2-NE 2.82Å; D99-R288 IonicContact OD2-NH1 3.59Å; D99-R288 PolarHBondContact OD2-NH1 2.96Å; D101-R288 IonicContact OD1-CZ 2.68Å; D101-R288 IonicContact OD1-NH1 3.76Å; D101-R288 IonicContact OD1-NH2 3.63Å; D101-R288 PolarHBondContact OD1-NH2 3.05Å; D101-R288 IonicContact OD2-NH2 3.5Å; C144-R288 HydrophobicContact CB-CG 4.48Å; C144-R288 CarbonylContact O-C 3.57Å; C144-R288 WeakPolarHBondContact O-CA 3.36Å; H145-R288 PolarHBondContact CE1-NE 2.85Å; H145-R288 PolarHBondContact NE2-NE 3.2Å; L273-R288 CarbonylContact C-O 3.39Å; L273-R288 WeakPolarHBondContact CA-O 3.23Å; V274-R288 HydrophobicContact CG2-CB 4Å; V274-R288 WeakPolarHBondContact CG2-O 3.45Å; V274-R288 PolarHBondContact N-O 2.88Å; V274-R288 PolarHBondContact O-N 2.85Å; A276-R288 HydrophobicContact CB-CB 3.95Å; A276-R288 PolarHBondContact O-N 3.35Å; C277-R288 PolarHBondContact O-NH2 3.23Å; C277-R288 VanDerWaalsContact O-NH2 3.13Å
289	L	97.6	Very high	92.2	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.047	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	136	171.2	-79.7	77.6	0	0	0	109.9	M138 C144 P245 V247 F271 Y272 L273 F291 I379	M138-L289 HydrophobicContact CE-CD1 3.82Å; C144-L289 WeakPolarHBondContact O-CD1 3.5Å; C144-L289 PolarHBondContact O-N 3.27Å; P245-L289 HydrophobicContact CB-CD2 3.95Å; P245-L289 HydrophobicContact CG-CD2 3.82Å; V247-L289 HydrophobicContact CG1-CD2 3.65Å; F271-L289 HydrophobicContact CD2-CG 4.44Å; F271-L289 HydrophobicContact CE2-CD2 4.46Å; F271-L289 HydrophobicContact CE2-CG 4.45Å; Y272-L289 CarbonylContact O-C 3.52Å; Y272-L289 WeakPolarHBondContact O-CA 3.45Å; L273-L289 HydrophobicContact CD2-CD1 3.85Å; L273-L289 HydrophobicContact CD2-CG 3.94Å; L289-F291 HydrophobicContact CB-CE2 4.25Å; L289-F291 HydrophobicContact CD2-CZ 4.38Å; L289-I379 HydrophobicContact CB-CD1 4.37Å; L289-I379 HydrophobicContact CD2-CD1 4.06Å
290	S	97.3	Very high	92	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.028	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.8	178.9	171.4	0	0	0	0	110.8	Y272 V274 A292	Y272-S290 PolarHBondContact N-O 2.83Å; Y272-S290 PolarHBondContact O-N 3.46Å; V274-S290 VanDerWaalsContact CG1-CB 3.49Å; S290-A292 PolarHBondContact OG-N 2.92Å
291	F	96.3	Very high	91.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.009	15%	0.153	C	C	.	.			trans	-107.9	28.7	-179.6	-59.9	-86.8	0	0	0	111.2	W244 P245 A248 F271 L289 R293 S294 E295 F378 I379	W244-F291 HydrophobicContact CD2-CE1 4.35Å; W244-F291 HydrophobicContact CE3-CD1 4.25Å; W244-F291 HydrophobicContact CE3-CE1 4.15Å; W244-F291 AromaticContact CH2-CD1 3.25Å; W244-F291 HydrophobicContact CH2-CD1 3.25Å; W244-F291 AromaticContact CH2-CE1 3.47Å; W244-F291 HydrophobicContact CH2-CE1 3.47Å; W244-F291 VanDerWaalsContact CH2-CE1 3.47Å; W244-F291 HydrophobicContact CH2-CG 4.2Å; W244-F291 AromaticContact CZ2-CD1 3.94Å; W244-F291 HydrophobicContact CZ2-CD1 3.94Å; W244-F291 AromaticContact CZ2-CE1 3.67Å; W244-F291 HydrophobicContact CZ2-CE1 3.67Å; W244-F291 HydrophobicContact CZ2-CZ 4.48Å; W244-F291 AromaticContact CZ3-CD1 3.44Å; W244-F291 HydrophobicContact CZ3-CD1 3.44Å; W244-F291 VanDerWaalsContact CZ3-CD1 3.44Å; W244-F291 AromaticContact CZ3-CE1 3.73Å; W244-F291 HydrophobicContact CZ3-CE1 3.73Å; P245-F291 HydrophobicContact CG-CE1 3.74Å; P245-F291 HydrophobicContact CG-CZ 3.77Å; A248-F291 HydrophobicContact CB-CE1 4.11Å; A248-F291 HydrophobicContact CB-CZ 3.74Å; F271-F291 HydrophobicContact CB-CD1 4.09Å; F271-F291 HydrophobicContact CB-CE1 4.14Å; L289-F291 HydrophobicContact CB-CE2 4.25Å; L289-F291 HydrophobicContact CD2-CZ 4.38Å; F291-R293 PolarHBondContact O-N 3.43Å; F291-S294 WeakPolarHBondContact O-CA 3.44Å; F291-S294 VanDerWaalsContact O-CB 3.31Å; F291-S294 WeakPolarHBondContact O-CB 3.26Å; F291-S294 PolarHBondContact O-N 2.88Å; F291-E295 PolarHBondContact O-N 3.38Å; F291-F378 HydrophobicContact CB-CB 4.47Å; F291-F378 HydrophobicContact CB-CD1 4.11Å; F291-F378 HydrophobicContact CB-CD2 3.44Å; F291-F378 VanDerWaalsContact CB-CD2 3.44Å; F291-F378 HydrophobicContact CB-CE1 4.15Å; F291-F378 HydrophobicContact CB-CE2 3.5Å; F291-F378 HydrophobicContact CB-CG 3.74Å; F291-F378 HydrophobicContact CB-CZ 3.85Å; F291-F378 HydrophobicContact CD1-CB 4.21Å; F291-F378 HydrophobicContact CD1-CD1 4.33Å; F291-F378 HydrophobicContact CD1-CG 4.15Å; F291-F378 HydrophobicContact CD2-CB 3.41Å; F291-F378 VanDerWaalsContact CD2-CB 3.41Å; F291-F378 AromaticContact CD2-CD2 3.64Å; F291-F378 HydrophobicContact CD2-CD2 3.64Å; F291-F378 AromaticContact CD2-CG 3.62Å; F291-F378 HydrophobicContact CD2-CG 3.62Å; F291-F378 HydrophobicContact CE1-CB 4.29Å; F291-F378 HydrophobicContact CE2-CB 3.53Å; F291-F378 HydrophobicContact CE2-CG 4.24Å; F291-F378 HydrophobicContact CG-CB 3.77Å; F291-F378 HydrophobicContact CG-CD1 4.09Å; F291-F378 AromaticContact CG-CD2 3.67Å; F291-F378 HydrophobicContact CG-CD2 3.67Å; F291-F378 HydrophobicContact CG-CE2 4.25Å; F291-F378 AromaticContact CG-CG 3.56Å; F291-F378 HydrophobicContact CG-CG 3.56Å; F291-F378 HydrophobicContact CZ-CB 3.97Å; F291-I379 HydrophobicContact CE2-CD1 3.82Å; F291-I379 HydrophobicContact CE2-CG1 4.01Å; F291-I379 HydrophobicContact CZ-CD1 4.03Å; F291-I379 HydrophobicContact CZ-CG1 4.19Å
292	A	91.7	Very high	91.9	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-52.9	-31.8	-175.4	0	0	0	0	0	113.6	L87 L89 V98 L121 S290 V296	L87-A292 HydrophobicContact CD2-CB 3.95Å; L89-A292 HydrophobicContact CD1-CB 4.35Å; V98-A292 HydrophobicContact CG2-CB 4.26Å; L121-A292 HydrophobicContact CD1-CB 4.1Å; S290-A292 PolarHBondContact OG-N 2.92Å; A292-V296 VanDerWaalsContact O-CG2 3.31Å; A292-V296 WeakPolarHBondContact O-CG2 3.46Å; A292-V296 PolarHBondContact O-N 3.03Å; A292-V296 VanDerWaalsContact O-N 3.13Å
293	R	88.9	Confident	91.8	Very high	34 Å²	34	26 Å²	26	13%	0.128	13%	0.127	C	C	.	.	H	α-helix	trans	-66	-48.7	174.4	-172.2	175.6	-67.2	-168	-4.7	111.4	E85 S269 Y272 F291 E295 V296 Q297	E85-R293 IonicContact OE2-NH2 3.59Å; S269-R293 VanDerWaalsContact OG-CD 3.24Å; S269-R293 WeakPolarHBondContact OG-CD 3.24Å; Y272-R293 HydrophobicContact CE2-CB 4.04Å; Y272-R293 PolarHBondContact OH-NE 3.25Å; Y272-R293 PolarHBondContact OH-NH2 2.95Å; F291-R293 PolarHBondContact O-N 3.43Å; R293-E295 VanDerWaalsContact C-N 3.34Å; R293-V296 PolarHBondContact O-N 2.96Å; R293-Q297 WeakPolarHBondContact O-CG 3.37Å; R293-Q297 PolarHBondContact O-N 3.1Å
294	S	90.3	Very high	91.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-41.8	175.9	-47.3	0	0	0	0	111.6	V267 F291 V296 Q297 L298	V267-S294 WeakPolarHBondContact O-CA 3.41Å; V267-S294 WeakPolarHBondContact O-CB 3.47Å; V267-S294 PolarHBondContact O-OG 3.49Å; F291-S294 WeakPolarHBondContact O-CA 3.44Å; F291-S294 VanDerWaalsContact O-CB 3.31Å; F291-S294 WeakPolarHBondContact O-CB 3.26Å; F291-S294 PolarHBondContact O-N 2.88Å; S294-V296 VanDerWaalsContact C-N 3.33Å; S294-V296 PolarHBondContact O-N 2.92Å; S294-Q297 WeakPolarHBondContact O-CB 3.45Å; S294-Q297 PolarHBondContact O-N 3.45Å; S294-Q297 VanDerWaalsContact O-N 3.12Å; S294-L298 WeakPolarHBondContact O-CG 2.98Å; S294-L298 PolarHBondContact O-N 3.09Å
295	E	92.1	Very high	91.8	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-62.3	-38.1	176.5	-68.8	-178.7	-159.3	0	0	113.1	F291 R293 Q297 K299 Y330 R333 F378	F291-E295 PolarHBondContact O-N 3.38Å; R293-E295 VanDerWaalsContact C-N 3.34Å; E295-Q297 VanDerWaalsContact C-N 3.26Å; E295-Q297 PolarHBondContact O-N 3.35Å; E295-K299 VanDerWaalsContact O-CB 3.23Å; E295-K299 WeakPolarHBondContact O-CB 3.46Å; E295-K299 PolarHBondContact O-N 2.96Å; E295-Y330 VanDerWaalsContact OE1-CE2 3.26Å; E295-Y330 WeakPolarHBondContact OE1-CE2 3.26Å; E295-Y330 VanDerWaalsContact OE1-CZ 3.31Å; E295-Y330 PolarHBondContact OE1-OH 3.41Å; E295-R333 IonicContact OE2-CZ 3.65Å; E295-R333 IonicContact OE2-NE 3.06Å; E295-R333 PolarHBondContact OE2-NE 2.86Å; E295-R333 IonicContact OE2-NH2 3.46Å; E295-F378 HydrophobicContact CG-CE2 3.5Å; E295-F378 HydrophobicContact CG-CZ 3.77Å
296	V	87.8	Confident	91.9	Very high	31 Å²	31	19.3 Å²	19.3	19%	0.188	10%	0.102	C	C	.	.	H	α-helix	trans	-62.9	-37.7	175	166.9	0	0	0	0	111	L89 A292 R293 S294	L89-V296 HydrophobicContact CD2-CG2 3.39Å; A292-V296 VanDerWaalsContact O-CG2 3.31Å; A292-V296 WeakPolarHBondContact O-CG2 3.46Å; A292-V296 PolarHBondContact O-N 3.03Å; A292-V296 VanDerWaalsContact O-N 3.13Å; R293-V296 PolarHBondContact O-N 2.96Å; S294-V296 VanDerWaalsContact C-N 3.33Å; S294-V296 PolarHBondContact O-N 2.92Å
297	Q	85.8	Confident	91.9	Very high	37 Å²	37	19.9 Å²	19.9	17%	0.173	11%	0.105	C	C	.	.	H	α-helix	trans	-66.9	-54.9	176.4	-64.3	-45	-30.1	0	0	110.5	I262 V267 R293 S294 E295 K299 K300	I262-Q297 HydrophobicContact CD1-CB 3.47Å; I262-Q297 VanDerWaalsContact CD1-CB 3.47Å; I262-Q297 WeakPolarHBondContact CD1-O 3.47Å; V267-Q297 HydrophobicContact CG2-CB 4.03Å; R293-Q297 WeakPolarHBondContact O-CG 3.37Å; R293-Q297 PolarHBondContact O-N 3.1Å; S294-Q297 WeakPolarHBondContact O-CB 3.45Å; S294-Q297 PolarHBondContact O-N 3.45Å; S294-Q297 VanDerWaalsContact O-N 3.12Å; E295-Q297 VanDerWaalsContact C-N 3.26Å; E295-Q297 PolarHBondContact O-N 3.35Å; Q297-K299 VanDerWaalsContact C-N 3.26Å; Q297-K299 PolarHBondContact O-N 3.33Å; Q297-K300 VanDerWaalsContact O-CB 3.3Å; Q297-K300 WeakPolarHBondContact O-CB 3.49Å; Q297-K300 PolarHBondContact O-N 3.46Å
298	L	88.6	Confident	91.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.7	-34.8	-179.9	-67.8	173.9	0	0	0	113.2	W251 W258 V267 S294 K300 C301 L337 Y377 F378	W251-L298 HydrophobicContact CH2-CD1 4.48Å; W251-L298 HydrophobicContact CZ2-CD1 4.29Å; W258-L298 HydrophobicContact CH2-CB 4.01Å; W258-L298 HydrophobicContact CH2-CD2 4.45Å; W258-L298 HydrophobicContact CZ3-CB 4.34Å; W258-L298 WeakPolarHBondContact CZ3-O 3.47Å; V267-L298 HydrophobicContact CG1-CD1 4.44Å; V267-L298 HydrophobicContact CG1-CD2 4.32Å; V267-L298 HydrophobicContact CG1-CG 4.2Å; V267-L298 HydrophobicContact CG2-CD2 4.13Å; V267-L298 HydrophobicContact CG2-CG 4.46Å; S294-L298 WeakPolarHBondContact O-CG 2.98Å; S294-L298 PolarHBondContact O-N 3.09Å; L298-K300 PolarHBondContact O-N 3.43Å; L298-K300 VanDerWaalsContact O-N 3.1Å; L298-C301 WeakPolarHBondContact O-CB 3.35Å; L298-C301 PolarHBondContact O-N 2.7Å; L298-L337 HydrophobicContact CB-CD2 4.49Å; L298-Y377 HydrophobicContact CD1-CE1 3.64Å; L298-F378 HydrophobicContact CD1-CE1 4.01Å; L298-F378 HydrophobicContact CD1-CZ 3.91Å
299	K	88	Confident	91.8	Very high	33 Å²	33	20.7 Å²	20.7	14%	0.143	11%	0.11	C	C	.	.	H	α-helix	trans	-56.7	-28.5	177.5	-174.3	178.6	177.1	-171.9	0	112.8	E295 Q297 C301 I302 P476	E295-K299 VanDerWaalsContact O-CB 3.23Å; E295-K299 WeakPolarHBondContact O-CB 3.46Å; E295-K299 PolarHBondContact O-N 2.96Å; Q297-K299 VanDerWaalsContact C-N 3.26Å; Q297-K299 PolarHBondContact O-N 3.33Å; K299-C301 PolarHBondContact O-N 2.98Å; K299-I302 PolarHBondContact O-N 3.4Å; K299-P476 WeakPolarHBondContact CE-O 3.05Å; K299-P476 PolarHBondContact NZ-O 3.01Å
300	K	84.3	Confident	91.8	Very high	86 Å²	86	20.5 Å²	20.5	37%	0.374	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.5	177.2	-62.1	172	-179.7	173.6	0	113.6	Q297 L298 V479	Q297-K300 VanDerWaalsContact O-CB 3.3Å; Q297-K300 WeakPolarHBondContact O-CB 3.49Å; Q297-K300 PolarHBondContact O-N 3.46Å; L298-K300 PolarHBondContact O-N 3.43Å; L298-K300 VanDerWaalsContact O-N 3.1Å; K300-V479 HydrophobicContact CB-CG2 4.34Å; K300-V479 HydrophobicContact CG-CB 4.3Å; K300-V479 HydrophobicContact CG-CG2 4.25Å
301	C	86.2	Confident	91.7	Very high	24 Å²	24	21.3 Å²	21.3	16%	0.162	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-7.2	-176.9	-53.7	0	0	0	0	112.4	W258 D259 L298 K299	W258-C301 HydrophobicContact CE3-CB 3.83Å; W258-C301 HydrophobicContact CZ3-CB 4.19Å; D259-C301 HydrophobicContact CB-CB 4.26Å; D259-C301 PolarHBondContact OD1-SG 3.31Å; D259-C301 VanDerWaalsContact OD1-SG 3.39Å; D259-C301 PolarHBondContact OD2-SG 2.79Å; L298-C301 WeakPolarHBondContact O-CB 3.35Å; L298-C301 PolarHBondContact O-N 2.7Å; K299-C301 PolarHBondContact O-N 2.98Å
302	I	89.9	Confident	91.7	Very high	18 Å²	18	21.2 Å²	21.2	9%	0.092	11%	0.111	C	C	.	.	S	Bend	trans	-78.4	128.9	-179.5	-54.2	-179.6	0	0	0	109.1	W258 K299 L306 M307 M336 L337	W258-I302 HydrophobicContact CH2-CG1 4.25Å; W258-I302 HydrophobicContact CZ3-CD1 4.4Å; W258-I302 HydrophobicContact CZ3-CG1 3.62Å; K299-I302 PolarHBondContact O-N 3.4Å; I302-L306 HydrophobicContact CG2-CB 4.07Å; I302-L306 HydrophobicContact CG2-CD2 3.89Å; I302-L306 HydrophobicContact CG2-CG 3.93Å; I302-M307 HydrophobicContact CB-CG 4.07Å; I302-M307 HydrophobicContact CB-SD 4.15Å; I302-M307 HydrophobicContact CD1-SD 4.16Å; I302-M307 HydrophobicContact CG2-CG 3.62Å; I302-M307 HydrophobicContact CG2-SD 3.79Å; I302-M336 HydrophobicContact CD1-CE 3.54Å; I302-M336 HydrophobicContact CD1-SD 4.11Å; I302-M336 HydrophobicContact CG2-SD 4.22Å; I302-L337 HydrophobicContact CD1-CD2 4.25Å
303	S	91.8	Very high	92	Very high	25 Å²	25	21.2 Å²	21.2	18%	0.175	11%	0.111	C	C	.	.			trans	-64.4	151.7	178.5	67.1	0	0	0	0	112.2	S305 L306 M307 L348	S303-S305 VanDerWaalsContact C-N 3.3Å; S303-S305 PolarHBondContact O-N 3.01Å; S303-S305 PolarHBondContact OG-OG 2.72Å; S303-L306 PolarHBondContact O-N 3.25Å; S303-L306 WeakPolarHBondContact OG-CB 3.1Å; S303-L306 PolarHBondContact OG-N 2.91Å; S303-M307 PolarHBondContact O-N 3.12Å; S303-L348 WeakPolarHBondContact CB-O 3.35Å; S303-L348 PolarHBondContact OG-O 3.44Å
304	S	91.9	Very high	92.3	Very high	67 Å²	67	20.6 Å²	20.6	47%	0.469	11%	0.109	S	C	.	.	H	α-helix	trans	-59.2	-40.8	179	56.2	0	0	0	0	112	M307 Q308	S304-M307 PolarHBondContact O-N 3.2Å; S304-Q308 WeakPolarHBondContact O-CB 3.29Å; S304-Q308 WeakPolarHBondContact O-CG 3.42Å; S304-Q308 PolarHBondContact O-N 2.83Å
305	S	95.2	Very high	92.5	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-41.5	178.5	50.8	0	0	0	0	112.6	S303 Q308 A309 Q350 E351 F357	S303-S305 VanDerWaalsContact C-N 3.3Å; S303-S305 PolarHBondContact O-N 3.01Å; S303-S305 PolarHBondContact OG-OG 2.72Å; S305-Q308 PolarHBondContact O-N 3.48Å; S305-A309 WeakPolarHBondContact O-CB 3.39Å; S305-A309 PolarHBondContact O-N 2.89Å; S305-Q350 WeakPolarHBondContact CB-O 3.25Å; S305-Q350 PolarHBondContact OG-O 3.18Å; S305-E351 WeakPolarHBondContact CB-O 3.48Å; S305-F357 WeakPolarHBondContact OG-CE2 3.43Å
306	L	96.4	Very high	92.7	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-68.1	-40.6	174.4	178.2	55.8	0	0	0	111.6	I302 S303 Q308 A309 Y310 M336 C340 L348 F357 L361	I302-L306 HydrophobicContact CG2-CB 4.07Å; I302-L306 HydrophobicContact CG2-CD2 3.89Å; I302-L306 HydrophobicContact CG2-CG 3.93Å; S303-L306 PolarHBondContact O-N 3.25Å; S303-L306 WeakPolarHBondContact OG-CB 3.1Å; S303-L306 PolarHBondContact OG-N 2.91Å; L306-Q308 PolarHBondContact O-N 3.37Å; L306-A309 WeakPolarHBondContact O-CB 3.41Å; L306-A309 PolarHBondContact O-N 3.14Å; L306-Y310 WeakPolarHBondContact O-CB 3.17Å; L306-Y310 PolarHBondContact O-N 2.92Å; L306-M336 HydrophobicContact CD1-CG 4.26Å; L306-M336 HydrophobicContact CD2-CG 4.17Å; L306-M336 HydrophobicContact CG-CG 4.09Å; L306-M336 HydrophobicContact CG-SD 4.37Å; L306-C340 VanDerWaalsContact CD2-SG 3.5Å; L306-L348 HydrophobicContact CD2-CD2 3.81Å; L306-F357 HydrophobicContact CB-CD2 4.02Å; L306-F357 HydrophobicContact CB-CE2 4.29Å; L306-F357 HydrophobicContact CB-CG 4.31Å; L306-F357 HydrophobicContact CD1-CB 3.77Å; L306-F357 HydrophobicContact CD1-CD1 4.1Å; L306-F357 HydrophobicContact CD1-CD2 4.4Å; L306-F357 HydrophobicContact CD1-CG 3.85Å; L306-L361 HydrophobicContact CD1-CD1 4.29Å
307	M	94.7	Very high	93	Very high	14 Å²	14	20.9 Å²	20.9	7%	0.069	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-44.5	174.2	-78.9	-59.1	-55.8	0	0	112	I302 S303 S304 A309 Y310 Q311 M336	I302-M307 HydrophobicContact CB-CG 4.07Å; I302-M307 HydrophobicContact CB-SD 4.15Å; I302-M307 HydrophobicContact CD1-SD 4.16Å; I302-M307 HydrophobicContact CG2-CG 3.62Å; I302-M307 HydrophobicContact CG2-SD 3.79Å; S303-M307 PolarHBondContact O-N 3.12Å; S304-M307 PolarHBondContact O-N 3.2Å; M307-A309 VanDerWaalsContact C-N 3.34Å; M307-A309 PolarHBondContact O-N 2.78Å; M307-Y310 HydrophobicContact CE-CD1 4.39Å; M307-Y310 PolarHBondContact O-N 3.22Å; M307-Q311 WeakPolarHBondContact O-CG 3.41Å; M307-Q311 PolarHBondContact O-N 2.81Å; M307-M336 HydrophobicContact SD-CE 4.06Å; M307-M336 HydrophobicContact SD-SD 3.96Å
308	Q	95.9	Very high	93.2	Very high	44 Å²	44	22 Å²	22	21%	0.206	12%	0.121	C	C	.	.	H	α-helix	trans	-59.5	-45.9	175.8	-72.3	172.6	2.9	0	0	111.6	I40 T44 S304 S305 L306 Y310 Q311 A312	I40-Q308 HydrophobicContact CG2-CB 3.85Å; T44-Q308 HydrophobicContact CG2-CG 3.93Å; T44-Q308 WeakPolarHBondContact OG1-CG 3.31Å; S304-Q308 WeakPolarHBondContact O-CB 3.29Å; S304-Q308 WeakPolarHBondContact O-CG 3.42Å; S304-Q308 PolarHBondContact O-N 2.83Å; S305-Q308 PolarHBondContact O-N 3.48Å; L306-Q308 PolarHBondContact O-N 3.37Å; Q308-Y310 VanDerWaalsContact C-N 3.34Å; Q308-Y310 PolarHBondContact O-N 3.32Å; Q308-Q311 PolarHBondContact O-N 2.64Å; Q308-A312 WeakPolarHBondContact O-CB 3.27Å; Q308-A312 PolarHBondContact O-N 2.78Å
309	A	97.7	Very high	93.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.7	-42.5	175.8	0	0	0	0	0	112.3	S305 L306 M307 A312 C313 A354 F357 L358	S305-A309 WeakPolarHBondContact O-CB 3.39Å; S305-A309 PolarHBondContact O-N 2.89Å; L306-A309 WeakPolarHBondContact O-CB 3.41Å; L306-A309 PolarHBondContact O-N 3.14Å; M307-A309 VanDerWaalsContact C-N 3.34Å; M307-A309 PolarHBondContact O-N 2.78Å; A309-A312 PolarHBondContact O-N 3.34Å; A309-C313 VanDerWaalsContact O-CB 3.24Å; A309-C313 WeakPolarHBondContact O-CB 3.3Å; A309-C313 PolarHBondContact O-N 2.76Å; A309-A354 VanDerWaalsContact CB-O 3.24Å; A309-A354 WeakPolarHBondContact CB-O 3.21Å; A309-F357 HydrophobicContact CB-CB 3.54Å; A309-L358 HydrophobicContact CB-CB 4.14Å
310	Y	96.7	Very high	93.3	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-62.3	-46.2	176.3	167	-99.2	0	0	0	112.3	L306 M307 Q308 A312 C313 K314 L332 R333 M336	L306-Y310 WeakPolarHBondContact O-CB 3.17Å; L306-Y310 PolarHBondContact O-N 2.92Å; M307-Y310 HydrophobicContact CE-CD1 4.39Å; M307-Y310 PolarHBondContact O-N 3.22Å; Q308-Y310 VanDerWaalsContact C-N 3.34Å; Q308-Y310 PolarHBondContact O-N 3.32Å; Y310-A312 VanDerWaalsContact C-N 3.35Å; Y310-A312 PolarHBondContact O-N 2.99Å; Y310-C313 WeakPolarHBondContact O-CB 3.43Å; Y310-C313 PolarHBondContact O-N 3.17Å; Y310-K314 HydrophobicContact CE1-CD 4.41Å; Y310-K314 VanDerWaalsContact O-CB 3.25Å; Y310-K314 WeakPolarHBondContact O-CB 3.29Å; Y310-K314 PolarHBondContact O-N 3.05Å; Y310-L332 HydrophobicContact CD2-CB 4.49Å; Y310-L332 HydrophobicContact CE2-CB 3.84Å; Y310-R333 HydrophobicContact CE2-CB 4.27Å; Y310-M336 WeakPolarHBondContact CB-SD 3.4Å; Y310-M336 HydrophobicContact CD1-CE 4.25Å; Y310-M336 HydrophobicContact CD1-SD 4.08Å; Y310-M336 HydrophobicContact CD2-CB 4.08Å; Y310-M336 HydrophobicContact CD2-CE 4.18Å; Y310-M336 HydrophobicContact CD2-CG 4.47Å; Y310-M336 HydrophobicContact CD2-SD 3.8Å; Y310-M336 HydrophobicContact CE2-CE 4.44Å; Y310-M336 HydrophobicContact CG-CE 4.07Å; Y310-M336 HydrophobicContact CG-SD 3.48Å
311	Q	95.5	Very high	93.6	Very high	22 Å²	22	23.9 Å²	23.9	10%	0.103	13%	0.131	C	C	.	.	H	α-helix	trans	-63.1	-42.8	178.8	-62.8	-66.2	3.8	0	0	111.3	F43 M307 Q308 K314 A315 D477	F43-Q311 HydrophobicContact CE1-CB 3.97Å; M307-Q311 WeakPolarHBondContact O-CG 3.41Å; M307-Q311 PolarHBondContact O-N 2.81Å; Q308-Q311 PolarHBondContact O-N 2.64Å; Q311-K314 PolarHBondContact O-N 3.28Å; Q311-A315 WeakPolarHBondContact O-CB 3.48Å; Q311-A315 PolarHBondContact O-N 3.33Å; Q311-D477 PolarHBondContact NE2-OD1 3.26Å; Q311-D477 VanDerWaalsContact NE2-OD1 3.14Å
312	A	96.9	Very high	93.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63	-45.4	175.2	0	0	0	0	0	111.8	I40 F43 Q308 A309 Y310 K314 A315 I316 L358 L411	I40-A312 HydrophobicContact CG1-CB 4.36Å; F43-A312 HydrophobicContact CD1-CB 4.02Å; F43-A312 HydrophobicContact CE1-CB 4.3Å; Q308-A312 WeakPolarHBondContact O-CB 3.27Å; Q308-A312 PolarHBondContact O-N 2.78Å; A309-A312 PolarHBondContact O-N 3.34Å; Y310-A312 VanDerWaalsContact C-N 3.35Å; Y310-A312 PolarHBondContact O-N 2.99Å; A312-K314 PolarHBondContact O-N 3.45Å; A312-A315 PolarHBondContact O-N 2.99Å; A312-I316 WeakPolarHBondContact O-CG1 3.4Å; A312-I316 PolarHBondContact O-N 3.43Å; A312-I316 VanDerWaalsContact O-N 3.09Å; A312-L358 HydrophobicContact CB-CD1 4.49Å; A312-L411 HydrophobicContact CB-CD2 3.83Å
313	C	97.4	Very high	93.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-57.1	-52.2	175.3	-173.3	0	0	0	0	110.5	A309 Y310 A315 I316 I317 L358 L361	A309-C313 VanDerWaalsContact O-CB 3.24Å; A309-C313 WeakPolarHBondContact O-CB 3.3Å; A309-C313 PolarHBondContact O-N 2.76Å; Y310-C313 WeakPolarHBondContact O-CB 3.43Å; Y310-C313 PolarHBondContact O-N 3.17Å; C313-A315 VanDerWaalsContact C-N 3.34Å; C313-A315 PolarHBondContact O-N 3.44Å; C313-I316 PolarHBondContact O-N 3.2Å; C313-I317 WeakPolarHBondContact O-CB 3.49Å; C313-I317 WeakPolarHBondContact O-CG1 3.3Å; C313-I317 PolarHBondContact O-N 3.13Å; C313-L358 HydrophobicContact CB-CD1 3.54Å; C313-L361 HydrophobicContact CB-CD1 4.38Å
314	K	95.6	Very high	93	Very high	21 Å²	21	36.2 Å²	36.2	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-54.3	-47.8	177.9	-176	-173.6	62.7	166.6	0	111.9	E95 Y310 Q311 A312 I316 I317 I318 P329 L332	E95-K314 WeakPolarHBondContact OE2-CE 3.45Å; E95-K314 IonicContact OE2-NZ 3.9Å; E95-K314 PolarHBondContact OE2-NZ 2.94Å; Y310-K314 HydrophobicContact CE1-CD 4.41Å; Y310-K314 VanDerWaalsContact O-CB 3.25Å; Y310-K314 WeakPolarHBondContact O-CB 3.29Å; Y310-K314 PolarHBondContact O-N 3.05Å; Q311-K314 PolarHBondContact O-N 3.28Å; A312-K314 PolarHBondContact O-N 3.45Å; K314-I316 VanDerWaalsContact C-N 3.34Å; K314-I316 PolarHBondContact O-N 2.74Å; K314-I317 PolarHBondContact O-N 3.38Å; K314-I318 HydrophobicContact CD-CD1 3.96Å; K314-I318 HydrophobicContact CG-CD1 3.33Å; K314-I318 HydrophobicContact CG-CG1 4.04Å; K314-I318 WeakPolarHBondContact O-CB 3.48Å; K314-I318 VanDerWaalsContact O-CG1 3.27Å; K314-I318 WeakPolarHBondContact O-CG1 3.47Å; K314-I318 PolarHBondContact O-N 3.04Å; K314-P329 HydrophobicContact CD-CB 4.11Å; K314-P329 HydrophobicContact CG-CB 4.27Å; K314-L332 HydrophobicContact CB-CD1 4.13Å; K314-L332 HydrophobicContact CG-CD1 4.34Å
315	A	94.6	Very high	92.7	Very high	32 Å²	32	38.3 Å²	38.3	26%	0.264	19%	0.188	S	C	.	.	H	α-helix	trans	-62.1	-39.2	-180	0	0	0	0	0	113.1	F43 Q311 A312 C313 A414	F43-A315 HydrophobicContact CE2-CB 3.62Å; F43-A315 HydrophobicContact CZ-CB 3.52Å; Q311-A315 WeakPolarHBondContact O-CB 3.48Å; Q311-A315 PolarHBondContact O-N 3.33Å; A312-A315 PolarHBondContact O-N 2.99Å; C313-A315 VanDerWaalsContact C-N 3.34Å; C313-A315 PolarHBondContact O-N 3.44Å; A315-A414 HydrophobicContact CB-CB 4.32Å
316	I	95.7	Very high	92.2	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-67.7	-52.8	175.3	-66.1	165.2	0	0	0	110.2	A312 C313 K314 L320 V403 H410 L411 A414	A312-I316 WeakPolarHBondContact O-CG1 3.4Å; A312-I316 PolarHBondContact O-N 3.43Å; A312-I316 VanDerWaalsContact O-N 3.09Å; C313-I316 PolarHBondContact O-N 3.2Å; K314-I316 VanDerWaalsContact C-N 3.34Å; K314-I316 PolarHBondContact O-N 2.74Å; I316-L320 VanDerWaalsContact O-CB 3.31Å; I316-L320 WeakPolarHBondContact O-CB 3.27Å; I316-L320 PolarHBondContact O-N 3.26Å; I316-V403 HydrophobicContact CG2-CG1 3.78Å; I316-V403 HydrophobicContact CG2-CG2 4.02Å; I316-H410 HydrophobicContact CD1-CB 4.18Å; I316-H410 HydrophobicContact CG1-CB 4.22Å; I316-H410 HydrophobicContact CG2-CB 3.92Å; I316-L411 HydrophobicContact CD1-CD2 3.95Å; I316-L411 HydrophobicContact CD1-CG 4.05Å; I316-A414 HydrophobicContact CG1-CB 4.15Å
317	I	94.1	Very high	92	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-47.4	-168.8	-64.3	-52.6	0	0	0	112.4	C313 K314 K319 L320 L321 I327 L332 L365 L400	C313-I317 WeakPolarHBondContact O-CB 3.49Å; C313-I317 WeakPolarHBondContact O-CG1 3.3Å; C313-I317 PolarHBondContact O-N 3.13Å; K314-I317 PolarHBondContact O-N 3.38Å; I317-K319 PolarHBondContact O-N 2.8Å; I317-L320 PolarHBondContact O-N 3.13Å; I317-L321 HydrophobicContact CG2-CD1 3.67Å; I317-L321 HydrophobicContact CG2-CG 4.14Å; I317-L321 VanDerWaalsContact O-CB 3.3Å; I317-L321 WeakPolarHBondContact O-CB 3.18Å; I317-L321 PolarHBondContact O-N 3.11Å; I317-I327 HydrophobicContact CG2-CG2 4.25Å; I317-L332 HydrophobicContact CB-CD1 3.97Å; I317-L332 HydrophobicContact CG1-CD1 4.44Å; I317-L332 HydrophobicContact CG2-CD1 4.06Å; I317-L332 HydrophobicContact CG2-CD2 4.25Å; I317-L365 HydrophobicContact CD1-CD2 3.99Å; I317-L365 HydrophobicContact CG1-CD2 4.07Å; I317-L365 HydrophobicContact CG2-CD2 3.69Å; I317-L400 HydrophobicContact CD1-CD1 3.18Å
318	I	89.8	Confident	91.8	Very high	59 Å²	59	39.3 Å²	39.3	30%	0.303	20%	0.196	S	C	.	.	H	α-helix	trans	-57.6	-40.6	-178.2	-68.2	173.1	0	0	0	110.4	K314 S322 P329	K314-I318 HydrophobicContact CD-CD1 3.96Å; K314-I318 HydrophobicContact CG-CD1 3.33Å; K314-I318 HydrophobicContact CG-CG1 4.04Å; K314-I318 WeakPolarHBondContact O-CB 3.48Å; K314-I318 VanDerWaalsContact O-CG1 3.27Å; K314-I318 WeakPolarHBondContact O-CG1 3.47Å; K314-I318 PolarHBondContact O-N 3.04Å; I318-S322 WeakPolarHBondContact O-CA 3.33Å; I318-S322 WeakPolarHBondContact O-CB 3.23Å; I318-S322 PolarHBondContact O-N 3.38Å; I318-P329 HydrophobicContact CD1-CB 3.89Å; I318-P329 HydrophobicContact CD1-CG 3.62Å; I318-P329 HydrophobicContact CG1-CB 4.47Å; I318-P329 HydrophobicContact CG1-CG 4.2Å
319	K	88.3	Confident	91.6	Very high	111 Å²	111	37.5 Å²	37.5	48%	0.483	19%	0.188	S	C	.	.	H	α-helix	trans	-72.2	-49.3	-179.5	-172.5	165	-175.5	153.5	0	111.7	I317 L321 S322 H417	I317-K319 PolarHBondContact O-N 2.8Å; K319-L321 VanDerWaalsContact C-N 3.31Å; K319-L321 PolarHBondContact O-N 3.47Å; K319-S322 WeakPolarHBondContact O-CB 3.32Å; K319-S322 PolarHBondContact O-N 3.49Å; K319-S322 PolarHBondContact O-OG 3.05Å; K319-H417 VanDerWaalsContact CD-CE1 3.43Å; K319-H417 WeakPolarHBondContact CD-CE1 3.28Å; K319-H417 WeakPolarHBondContact CD-ND1 3.22Å; K319-H417 WeakPolarHBondContact CE-CE1 3.45Å; K319-H417 PolarHBondContact NZ-CD2 3.44Å; K319-H417 PolarHBondContact NZ-CE1 3.25Å; K319-H417 PolarHBondContact NZ-ND1 2.96Å; K319-H417 VanDerWaalsContact NZ-ND1 3.19Å; K319-H417 PolarHBondContact NZ-NE2 3.16Å
320	L	90.8	Very high	91.5	Very high	46 Å²	46	37.8 Å²	37.8	24%	0.241	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-40	-178.2	-176.5	72.3	0	0	0	112.4	I316 I317 K399 V403	I316-L320 VanDerWaalsContact O-CB 3.31Å; I316-L320 WeakPolarHBondContact O-CB 3.27Å; I316-L320 PolarHBondContact O-N 3.26Å; I317-L320 PolarHBondContact O-N 3.13Å; L320-K399 HydrophobicContact CD2-CB 4.47Å; L320-K399 HydrophobicContact CG-CB 4.44Å; L320-V403 HydrophobicContact CD2-CG2 3.17Å
321	L	89.4	Confident	91.4	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	20	-175.5	-55.8	-171.1	0	0	0	112.6	I317 K319 R323 I327 L365 H396 K399	I317-L321 HydrophobicContact CG2-CD1 3.67Å; I317-L321 HydrophobicContact CG2-CG 4.14Å; I317-L321 VanDerWaalsContact O-CB 3.3Å; I317-L321 WeakPolarHBondContact O-CB 3.18Å; I317-L321 PolarHBondContact O-N 3.11Å; K319-L321 VanDerWaalsContact C-N 3.31Å; K319-L321 PolarHBondContact O-N 3.47Å; L321-R323 PolarHBondContact O-N 3.24Å; L321-I327 HydrophobicContact CD1-CB 4.22Å; L321-I327 HydrophobicContact CD1-CG1 3.89Å; L321-L365 HydrophobicContact CD1-CD2 4.2Å; L321-H396 HydrophobicContact CD2-CB 4.42Å; L321-K399 HydrophobicContact CD2-CB 3.72Å; L321-K399 HydrophobicContact CD2-CD 4.04Å
322	S	85.6	Confident	91.5	Very high	61 Å²	61	37.4 Å²	37.4	43%	0.427	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.1	-179.3	56.5	0	0	0	0	114.1	I318 K319	I318-S322 WeakPolarHBondContact O-CA 3.33Å; I318-S322 WeakPolarHBondContact O-CB 3.23Å; I318-S322 PolarHBondContact O-N 3.38Å; K319-S322 WeakPolarHBondContact O-CB 3.32Å; K319-S322 PolarHBondContact O-N 3.49Å; K319-S322 PolarHBondContact O-OG 3.05Å
323	R	85.8	Confident	91.4	Very high	199 Å²	199	38.5 Å²	38.5	75%	0.751	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-142.7	119.8	-174.7	-63.8	-172.6	-178	-175.8	0.2	112.9	L321 K399	L321-R323 PolarHBondContact O-N 3.24Å; R323-K399 PolarHBondContact O-NZ 2.85Å
324	P	86	Confident	91.3	Very high	66 Å²	66	38.5 Å²	38.5	43%	0.429	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	cis	-63.6	149.8	-16	26.8	-27.7	0	0	0	110	A326 L395 H396	P324-A326 PolarHBondContact O-N 2.96Å; P324-L395 HydrophobicContact CG-CD2 4.29Å; P324-H396 PolarHBondContact O-CE1 3.12Å; P324-H396 PolarHBondContact O-NE2 3.46Å
325	K	84.2	Confident	91.3	Very high	110 Å²	110	37.7 Å²	37.7	48%	0.478	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	117.8	179.2	-171.7	179.7	-176.4	178.4	0	108.8	L102	L102-K325 PolarHBondContact O-NZ 3.08Å
326	A	85.9	Confident	91.4	Very high	9 Å²	9	36.3 Å²	36.3	7%	0.074	18%	0.176	C	C	.	.			trans	-135.7	-31.3	178.1	0	0	0	0	0	112.8	P324 L388 T392 H396	P324-A326 PolarHBondContact O-N 2.96Å; A326-L388 HydrophobicContact CB-CD1 3.96Å; A326-L388 HydrophobicContact CB-CD2 3.76Å; A326-T392 HydrophobicContact CB-CG2 3.71Å; A326-H396 VanDerWaalsContact CB-CE1 3.48Å; A326-H396 WeakPolarHBondContact CB-CE1 3.44Å; A326-H396 WeakPolarHBondContact CB-NE2 3.28Å
327	I	91.3	Very high	91.5	Very high	10 Å²	10	36.1 Å²	36.1	5%	0.051	18%	0.175	C	C	.	.			trans	-104	116.1	-179.1	-55.7	-56.3	0	0	0	109.1	I317 L321 H331 L332 L365 L369 L385	I317-I327 HydrophobicContact CG2-CG2 4.25Å; L321-I327 HydrophobicContact CD1-CB 4.22Å; L321-I327 HydrophobicContact CD1-CG1 3.89Å; I327-H331 HydrophobicContact CG2-CB 4.31Å; I327-L332 HydrophobicContact CG2-CD2 4.48Å; I327-L365 HydrophobicContact CD1-CD1 4.41Å; I327-L365 HydrophobicContact CG2-CD1 4.09Å; I327-L369 HydrophobicContact CD1-CD2 3.82Å; I327-L369 HydrophobicContact CG1-CD2 4.36Å; I327-L385 HydrophobicContact CD1-CD2 3.77Å
328	S	90.8	Very high	91.6	Very high	19 Å²	19	38.3 Å²	38.3	13%	0.133	18%	0.183	C	C	.	.			trans	-83.9	155.5	172.2	78.3	0	0	0	0	110.3	Y330 H331	S328-Y330 PolarHBondContact O-N 3.42Å; S328-Y330 PolarHBondContact OG-N 2.89Å; S328-H331 PolarHBondContact N-ND1 3.05Å; S328-H331 VanDerWaalsContact N-ND1 3.17Å; S328-H331 WeakPolarHBondContact O-CB 3.44Å; S328-H331 PolarHBondContact O-N 3.37Å; S328-H331 PolarHBondContact OG-N 3.33Å
329	P	92.3	Very high	91.9	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.039	17%	0.171	C	C	.	.	H	α-helix	trans	-59.5	-27.1	170.4	-5.9	11.1	0	0	0	112.8	R94 E95 K314 I318 H331 L332 R333	R94-P329 VanDerWaalsContact O-CG 3.23Å; R94-P329 WeakPolarHBondContact O-CG 3.42Å; E95-P329 WeakPolarHBondContact O-CB 3.38Å; K314-P329 HydrophobicContact CD-CB 4.11Å; K314-P329 HydrophobicContact CG-CB 4.27Å; I318-P329 HydrophobicContact CD1-CB 3.89Å; I318-P329 HydrophobicContact CD1-CG 3.62Å; I318-P329 HydrophobicContact CG1-CB 4.47Å; I318-P329 HydrophobicContact CG1-CG 4.2Å; P329-H331 VanDerWaalsContact C-N 3.3Å; P329-H331 PolarHBondContact O-N 2.86Å; P329-L332 WeakPolarHBondContact O-CB 3.49Å; P329-L332 PolarHBondContact O-N 2.96Å; P329-R333 PolarHBondContact O-N 2.86Å
330	Y	94.9	Very high	92.2	Very high	6 Å²	6	30.6 Å²	30.6	2%	0.024	15%	0.149	C	C	.	.	H	α-helix	trans	-65.9	-31.7	178	-169.1	-92.5	0	0	0	112.5	G96 D99 E295 S328 L332 R333 S334 M384	G96-Y330 WeakPolarHBondContact O-CD2 3.35Å; D99-Y330 HydrophobicContact CB-CD1 3.55Å; D99-Y330 HydrophobicContact CB-CD2 3.89Å; D99-Y330 HydrophobicContact CB-CE1 3.52Å; D99-Y330 HydrophobicContact CB-CE2 3.86Å; D99-Y330 HydrophobicContact CB-CG 3.74Å; E295-Y330 VanDerWaalsContact OE1-CE2 3.26Å; E295-Y330 WeakPolarHBondContact OE1-CE2 3.26Å; E295-Y330 VanDerWaalsContact OE1-CZ 3.31Å; E295-Y330 PolarHBondContact OE1-OH 3.41Å; S328-Y330 PolarHBondContact O-N 3.42Å; S328-Y330 PolarHBondContact OG-N 2.89Å; Y330-L332 VanDerWaalsContact C-N 3.34Å; Y330-L332 PolarHBondContact O-N 2.88Å; Y330-R333 WeakPolarHBondContact O-CB 3.46Å; Y330-R333 PolarHBondContact O-N 2.85Å; Y330-S334 WeakPolarHBondContact CE1-OG 3.17Å; Y330-S334 PolarHBondContact O-N 3.45Å; Y330-S334 PolarHBondContact O-OG 2.89Å; Y330-M384 HydrophobicContact CD1-SD 4.11Å; Y330-M384 HydrophobicContact CE1-SD 4.14Å
331	H	95.4	Very high	92.4	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.056	15%	0.148	C	C	.	.	H	α-helix	trans	-59.5	-45.8	171.5	-58.8	152.8	0	0	0	111.2	I327 S328 P329 R333 S334 M335	I327-H331 HydrophobicContact CG2-CB 4.31Å; S328-H331 PolarHBondContact N-ND1 3.05Å; S328-H331 VanDerWaalsContact N-ND1 3.17Å; S328-H331 WeakPolarHBondContact O-CB 3.44Å; S328-H331 PolarHBondContact O-N 3.37Å; S328-H331 PolarHBondContact OG-N 3.33Å; P329-H331 VanDerWaalsContact C-N 3.3Å; P329-H331 PolarHBondContact O-N 2.86Å; H331-R333 VanDerWaalsContact C-N 3.29Å; H331-R333 PolarHBondContact O-N 3.35Å; H331-S334 PolarHBondContact O-N 3.43Å; H331-M335 VanDerWaalsContact O-CG 3.26Å; H331-M335 WeakPolarHBondContact O-CG 3.39Å; H331-M335 PolarHBondContact O-N 3.16Å
332	L	95.9	Very high	92.6	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-37.4	177.8	-55.1	179.4	0	0	0	111.6	Y310 K314 I317 I327 P329 Y330 M335 M336 L365	Y310-L332 HydrophobicContact CD2-CB 4.49Å; Y310-L332 HydrophobicContact CE2-CB 3.84Å; K314-L332 HydrophobicContact CB-CD1 4.13Å; K314-L332 HydrophobicContact CG-CD1 4.34Å; I317-L332 HydrophobicContact CB-CD1 3.97Å; I317-L332 HydrophobicContact CG1-CD1 4.44Å; I317-L332 HydrophobicContact CG2-CD1 4.06Å; I317-L332 HydrophobicContact CG2-CD2 4.25Å; I327-L332 HydrophobicContact CG2-CD2 4.48Å; P329-L332 WeakPolarHBondContact O-CB 3.49Å; P329-L332 PolarHBondContact O-N 2.96Å; Y330-L332 VanDerWaalsContact C-N 3.34Å; Y330-L332 PolarHBondContact O-N 2.88Å; L332-M335 HydrophobicContact CD2-SD 4.26Å; L332-M335 PolarHBondContact O-N 3.02Å; L332-M336 PolarHBondContact O-N 3.29Å; L332-L365 HydrophobicContact CD2-CD1 4.17Å; L332-L365 HydrophobicContact CD2-CD2 3.88Å; L332-L365 HydrophobicContact CD2-CG 4.46Å
333	R	95.5	Very high	93	Very high	24 Å²	24	35.9 Å²	35.9	9%	0.091	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-47.9	177.2	-170.3	-176.5	-176.1	86.2	3.2	110.9	G96 E295 Y310 P329 Y330 H331 M335 M336 L337	G96-R333 WeakPolarHBondContact O-CD 3.27Å; E295-R333 IonicContact OE2-CZ 3.65Å; E295-R333 IonicContact OE2-NE 3.06Å; E295-R333 PolarHBondContact OE2-NE 2.86Å; E295-R333 IonicContact OE2-NH2 3.46Å; Y310-R333 HydrophobicContact CE2-CB 4.27Å; P329-R333 PolarHBondContact O-N 2.86Å; Y330-R333 WeakPolarHBondContact O-CB 3.46Å; Y330-R333 PolarHBondContact O-N 2.85Å; H331-R333 VanDerWaalsContact C-N 3.29Å; H331-R333 PolarHBondContact O-N 3.35Å; R333-M335 VanDerWaalsContact C-N 3.29Å; R333-M335 PolarHBondContact O-N 3.11Å; R333-M336 WeakPolarHBondContact O-CB 3.3Å; R333-M336 PolarHBondContact O-N 3.49Å; R333-M336 VanDerWaalsContact O-N 3.16Å; R333-L337 WeakPolarHBondContact O-CG 3.22Å; R333-L337 PolarHBondContact O-N 3.12Å; R333-L337 VanDerWaalsContact O-N 3.09Å
334	S	95.9	Very high	93.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.5	-40.9	176.5	-69.8	0	0	0	0	111.6	Y330 H331 L337 W338	Y330-S334 WeakPolarHBondContact CE1-OG 3.17Å; Y330-S334 PolarHBondContact O-N 3.45Å; Y330-S334 PolarHBondContact O-OG 2.89Å; H331-S334 PolarHBondContact O-N 3.43Å; S334-L337 PolarHBondContact O-N 3.13Å; S334-W338 PolarHBondContact O-N 3.43Å
335	M	96	Very high	93.5	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-66.1	-37.2	175.7	-64.6	163.7	50.1	0	0	113.3	H331 L332 R333 L337 W338 A339 L361 D364 L365	H331-M335 VanDerWaalsContact O-CG 3.26Å; H331-M335 WeakPolarHBondContact O-CG 3.39Å; H331-M335 PolarHBondContact O-N 3.16Å; L332-M335 HydrophobicContact CD2-SD 4.26Å; L332-M335 PolarHBondContact O-N 3.02Å; R333-M335 VanDerWaalsContact C-N 3.29Å; R333-M335 PolarHBondContact O-N 3.11Å; M335-L337 VanDerWaalsContact C-N 3.3Å; M335-L337 PolarHBondContact O-N 3.05Å; M335-W338 PolarHBondContact O-N 3.09Å; M335-A339 WeakPolarHBondContact O-CB 3.39Å; M335-A339 PolarHBondContact O-N 3.28Å; M335-L361 WeakPolarHBondContact CE-O 3.39Å; M335-D364 VanDerWaalsContact CE-C 3.42Å; M335-D364 HydrophobicContact CE-CB 3.4Å; M335-L365 VanDerWaalsContact CE-CA 3.43Å; M335-L365 HydrophobicContact CE-CB 3.66Å; M335-L365 HydrophobicContact SD-CB 4.13Å; M335-L365 HydrophobicContact SD-CD1 3.92Å
336	M	96.6	Very high	93.8	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-41.5	173.7	179.9	-177.6	59.8	0	0	111.2	I302 L306 M307 Y310 L332 R333 A339 C340 L361	I302-M336 HydrophobicContact CD1-CE 3.54Å; I302-M336 HydrophobicContact CD1-SD 4.11Å; I302-M336 HydrophobicContact CG2-SD 4.22Å; L306-M336 HydrophobicContact CD1-CG 4.26Å; L306-M336 HydrophobicContact CD2-CG 4.17Å; L306-M336 HydrophobicContact CG-CG 4.09Å; L306-M336 HydrophobicContact CG-SD 4.37Å; M307-M336 HydrophobicContact SD-CE 4.06Å; M307-M336 HydrophobicContact SD-SD 3.96Å; Y310-M336 WeakPolarHBondContact CB-SD 3.4Å; Y310-M336 HydrophobicContact CD1-CE 4.25Å; Y310-M336 HydrophobicContact CD1-SD 4.08Å; Y310-M336 HydrophobicContact CD2-CB 4.08Å; Y310-M336 HydrophobicContact CD2-CE 4.18Å; Y310-M336 HydrophobicContact CD2-CG 4.47Å; Y310-M336 HydrophobicContact CD2-SD 3.8Å; Y310-M336 HydrophobicContact CE2-CE 4.44Å; Y310-M336 HydrophobicContact CG-CE 4.07Å; Y310-M336 HydrophobicContact CG-SD 3.48Å; L332-M336 PolarHBondContact O-N 3.29Å; R333-M336 WeakPolarHBondContact O-CB 3.3Å; R333-M336 PolarHBondContact O-N 3.49Å; R333-M336 VanDerWaalsContact O-N 3.16Å; M336-A339 WeakPolarHBondContact O-CB 3.49Å; M336-A339 PolarHBondContact O-N 3.39Å; M336-C340 PolarHBondContact O-N 3.17Å; M336-C340 VanDerWaalsContact O-N 3.13Å; M336-C340 PolarHBondContact O-SG 3.43Å; M336-C340 VanDerWaalsContact O-SG 3.35Å; M336-L361 HydrophobicContact CB-CD2 4.25Å
337	L	96.3	Very high	94.2	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-44.2	175.3	-59.5	173.9	0	0	0	111.2	W258 L298 I302 R333 S334 M335 A339 C340 D341 Y377	W258-L337 HydrophobicContact CH2-CD2 3.63Å; W258-L337 HydrophobicContact CZ2-CD2 4.25Å; L298-L337 HydrophobicContact CB-CD2 4.49Å; I302-L337 HydrophobicContact CD1-CD2 4.25Å; R333-L337 WeakPolarHBondContact O-CG 3.22Å; R333-L337 PolarHBondContact O-N 3.12Å; R333-L337 VanDerWaalsContact O-N 3.09Å; S334-L337 PolarHBondContact O-N 3.13Å; M335-L337 VanDerWaalsContact C-N 3.3Å; M335-L337 PolarHBondContact O-N 3.05Å; L337-A339 VanDerWaalsContact C-N 3.29Å; L337-A339 PolarHBondContact O-N 3.36Å; L337-C340 WeakPolarHBondContact O-CB 3.26Å; L337-C340 PolarHBondContact O-N 3.38Å; L337-C340 VanDerWaalsContact O-N 3.1Å; L337-D341 PolarHBondContact O-N 3.48Å; L337-Y377 HydrophobicContact CB-CD1 3.98Å; L337-Y377 HydrophobicContact CB-CD2 3.38Å; L337-Y377 HydrophobicContact CB-CE1 4.04Å; L337-Y377 HydrophobicContact CB-CE2 3.47Å; L337-Y377 VanDerWaalsContact CB-CE2 3.47Å; L337-Y377 HydrophobicContact CB-CG 3.64Å; L337-Y377 HydrophobicContact CD1-CD1 3.6Å; L337-Y377 HydrophobicContact CD1-CD2 4.41Å; L337-Y377 HydrophobicContact CD1-CE1 4.1Å; L337-Y377 HydrophobicContact CD1-CG 3.76Å; L337-Y377 HydrophobicContact CG-CD1 4.38Å; L337-Y377 HydrophobicContact CG-CG 4.35Å
338	W	96.9	Very high	94.3	Very high	47 Å²	47	33.1 Å²	33.1	18%	0.178	17%	0.17	C	C	.	.	H	α-helix	trans	-61.7	-34.1	173.4	-76.1	122.1	0	0	0	113.6	S334 M335 C340 D341 R342 P375 Y377 P380	S334-W338 PolarHBondContact O-N 3.43Å; M335-W338 PolarHBondContact O-N 3.09Å; W338-C340 VanDerWaalsContact C-N 3.3Å; W338-D341 PolarHBondContact O-N 3.04Å; W338-R342 WeakPolarHBondContact O-CB 3.24Å; W338-R342 PolarHBondContact O-N 3.18Å; W338-R342 VanDerWaalsContact O-N 3.08Å; W338-P375 HydrophobicContact CZ2-CB 4.43Å; W338-P375 HydrophobicContact CZ2-CG 4.41Å; W338-P375 PolarHBondContact NE1-O 2.83Å; W338-Y377 AromaticContact CD2-CD2 3.8Å; W338-Y377 HydrophobicContact CD2-CD2 3.8Å; W338-Y377 HydrophobicContact CD2-CE2 4.32Å; W338-Y377 AromaticContact CE2-CD2 3.9Å; W338-Y377 HydrophobicContact CE3-CD2 4.15Å; W338-Y377 HydrophobicContact CE3-CE2 4.25Å; W338-Y377 HydrophobicContact CG-CD2 4.08Å; W338-Y377 HydrophobicContact CZ2-CD2 4.36Å; W338-P380 HydrophobicContact CH2-CB 4.08Å; W338-P380 HydrophobicContact CH2-CG 3.7Å; W338-P380 HydrophobicContact CZ2-CB 3.99Å; W338-P380 HydrophobicContact CZ2-CG 3.85Å
339	A	95.9	Very high	94.3	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-36.7	174.7	0	0	0	0	0	111.3	M335 M336 L337 R342 L343	M335-A339 WeakPolarHBondContact O-CB 3.39Å; M335-A339 PolarHBondContact O-N 3.28Å; M336-A339 WeakPolarHBondContact O-CB 3.49Å; M336-A339 PolarHBondContact O-N 3.39Å; L337-A339 VanDerWaalsContact C-N 3.29Å; L337-A339 PolarHBondContact O-N 3.36Å; A339-R342 PolarHBondContact O-N 2.95Å; A339-L343 HydrophobicContact CB-CD1 4.41Å; A339-L343 VanDerWaalsContact O-CB 3.28Å; A339-L343 WeakPolarHBondContact O-CB 3.31Å; A339-L343 VanDerWaalsContact O-CG 3.22Å; A339-L343 WeakPolarHBondContact O-CG 3.43Å; A339-L343 PolarHBondContact O-N 3.18Å
340	C	95.3	Very high	94.3	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.027	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-37	175	-63.4	0	0	0	0	112.9	W258 L306 M336 L337 W338 L348	W258-C340 HydrophobicContact CD2-CB 3.32Å; W258-C340 HydrophobicContact CE3-CB 3.65Å; W258-C340 HydrophobicContact CG-CB 3.87Å; W258-C340 HydrophobicContact CH2-CB 3.66Å; W258-C340 HydrophobicContact CZ2-CB 3.32Å; W258-C340 HydrophobicContact CZ3-CB 3.83Å; L306-C340 VanDerWaalsContact CD2-SG 3.5Å; M336-C340 PolarHBondContact O-N 3.17Å; M336-C340 VanDerWaalsContact O-N 3.13Å; M336-C340 PolarHBondContact O-SG 3.43Å; M336-C340 VanDerWaalsContact O-SG 3.35Å; L337-C340 WeakPolarHBondContact O-CB 3.26Å; L337-C340 PolarHBondContact O-N 3.38Å; L337-C340 VanDerWaalsContact O-N 3.1Å; W338-C340 VanDerWaalsContact C-N 3.3Å; C340-L348 HydrophobicContact CB-CD1 4.4Å
341	D	93.8	Very high	94.1	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.214	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-40.4	173.5	-74.4	-13.3	0	0	0	112.2	H256 W258 L337 W338 Y377	H256-D341 IonicContact CE1-OD2 2.89Å; H256-D341 PolarHBondContact CE1-OD2 2.94Å; H256-D341 IonicContact CG-OD1 2.61Å; H256-D341 IonicContact ND1-OD1 3.82Å; H256-D341 PolarHBondContact ND1-OD1 3.4Å; H256-D341 IonicContact ND1-OD2 3.88Å; H256-D341 PolarHBondContact ND1-OD2 3.34Å; W258-D341 PolarHBondContact NE1-OD1 3.32Å; L337-D341 PolarHBondContact O-N 3.48Å; W338-D341 PolarHBondContact O-N 3.04Å; D341-Y377 PolarHBondContact OD1-OH 3.45Å; D341-Y377 VanDerWaalsContact OD1-OH 3.14Å; D341-Y377 VanDerWaalsContact OD2-CE2 3.23Å; D341-Y377 WeakPolarHBondContact OD2-CE2 3.44Å
342	R	94.2	Very high	94	Very high	134 Å²	134	49.3 Å²	49.3	51%	0.506	26%	0.258	S	S	.	.	H	α-helix	trans	-78.7	-33.5	-172.4	-172.6	177.4	65.7	-128.3	0.9	113.1	W338 A339 D364	W338-R342 WeakPolarHBondContact O-CB 3.24Å; W338-R342 PolarHBondContact O-N 3.18Å; W338-R342 VanDerWaalsContact O-N 3.08Å; A339-R342 PolarHBondContact O-N 2.95Å; R342-D364 IonicContact CZ-OD1 3.53Å; R342-D364 IonicContact CZ-OD2 3.02Å; R342-D364 VanDerWaalsContact CZ-OD2 3.31Å; R342-D364 IonicContact NH1-OD1 2.83Å; R342-D364 PolarHBondContact NH1-OD1 3.47Å; R342-D364 IonicContact NH1-OD2 3.86Å; R342-D364 PolarHBondContact NH1-OD2 2.86Å; R342-D364 IonicContact NH2-OD1 3.34Å; R342-D364 PolarHBondContact NH2-OD1 3.45Å; R342-D364 IonicContact NH2-OD2 2.78Å; R342-D364 PolarHBondContact NH2-OD2 2.83Å
343	L	93.9	Very high	94	Very high	47 Å²	47	52.3 Å²	52.3	25%	0.246	27%	0.269	C	S	.	.	S	Bend	trans	-92.4	140.7	-171.3	-65.7	174.8	0	0	0	112.1	A339 Y347 L348 F357	A339-L343 HydrophobicContact CB-CD1 4.41Å; A339-L343 VanDerWaalsContact O-CB 3.28Å; A339-L343 WeakPolarHBondContact O-CB 3.31Å; A339-L343 VanDerWaalsContact O-CG 3.22Å; A339-L343 WeakPolarHBondContact O-CG 3.43Å; A339-L343 PolarHBondContact O-N 3.18Å; L343-Y347 HydrophobicContact CD1-CD1 4.33Å; L343-Y347 HydrophobicContact CD1-CE1 4.44Å; L343-Y347 HydrophobicContact CD2-CD1 4.47Å; L343-L348 HydrophobicContact CB-CD1 4.34Å; L343-L348 HydrophobicContact CB-CD2 3.96Å; L343-L348 HydrophobicContact CB-CG 3.96Å; L343-L348 HydrophobicContact CD1-CD2 4Å; L343-F357 HydrophobicContact CD1-CD1 4.16Å; L343-F357 HydrophobicContact CD1-CE1 3.97Å
344	P	92.3	Very high	94.1	Very high	74 Å²	74	51.2 Å²	51.2	48%	0.481	27%	0.266	S	S	.	.			trans	-59.5	140.2	175.6	-26.3	36.3	0	0	0	113.1	N346 Y347 L348	P344-N346 VanDerWaalsContact C-N 3.26Å; P344-N346 WeakPolarHBondContact CB-OD1 3.27Å; P344-N346 PolarHBondContact O-N 2.57Å; P344-Y347 WeakPolarHBondContact O-CA 3.43Å; P344-Y347 VanDerWaalsContact O-CB 3.29Å; P344-Y347 WeakPolarHBondContact O-CB 3.37Å; P344-Y347 PolarHBondContact O-N 3.49Å; P344-L348 PolarHBondContact O-N 3.25Å
345	A	90.3	Very high	94.2	Very high	59 Å²	59	51.2 Å²	51.2	49%	0.488	27%	0.266	S	S	.	.	H	α-helix	trans	-56.4	-36.6	-178.6	0	0	0	0	0	113.6	Y347 L348 A349	A345-Y347 VanDerWaalsContact C-N 3.3Å; A345-Y347 PolarHBondContact O-N 3.08Å; A345-L348 PolarHBondContact O-N 3.37Å; A345-A349 WeakPolarHBondContact O-CB 3.49Å; A345-A349 PolarHBondContact O-N 3.22Å
346	N	91.3	Very high	94.3	Very high	116 Å²	116	52.9 Å²	52.9	62%	0.62	27%	0.273	S	S	*	.	H	α-helix	trans	-67.8	-29	176	65.3	-37.4	0	0	0	113.1	P344 Q350	P344-N346 VanDerWaalsContact C-N 3.26Å; P344-N346 WeakPolarHBondContact CB-OD1 3.27Å; P344-N346 PolarHBondContact O-N 2.57Å; N346-Q350 PolarHBondContact O-NE2 2.95Å
347	Y	93.6	Very high	94.4	Very high	74 Å²	74	53.1 Å²	53.1	29%	0.29	27%	0.274	S	S	.	.	H	α-helix	trans	-74.7	-45.9	174	-170.9	-86.1	0	0	0	110.3	L343 P344 A345 A349 Q350 Y353 H356 F357	L343-Y347 HydrophobicContact CD1-CD1 4.33Å; L343-Y347 HydrophobicContact CD1-CE1 4.44Å; L343-Y347 HydrophobicContact CD2-CD1 4.47Å; P344-Y347 WeakPolarHBondContact O-CA 3.43Å; P344-Y347 VanDerWaalsContact O-CB 3.29Å; P344-Y347 WeakPolarHBondContact O-CB 3.37Å; P344-Y347 PolarHBondContact O-N 3.49Å; A345-Y347 VanDerWaalsContact C-N 3.3Å; A345-Y347 PolarHBondContact O-N 3.08Å; Y347-A349 PolarHBondContact O-N 3.25Å; Y347-Q350 WeakPolarHBondContact O-CG 3.5Å; Y347-Q350 PolarHBondContact O-N 3.36Å; Y347-Y353 HydrophobicContact CD1-CD2 4.15Å; Y347-Y353 AromaticContact CD2-CD2 3.88Å; Y347-Y353 HydrophobicContact CD2-CD2 3.88Å; Y347-Y353 AromaticContact CD2-CE2 3.55Å; Y347-Y353 HydrophobicContact CD2-CE2 3.55Å; Y347-Y353 AromaticContact CE1-CD2 3.83Å; Y347-Y353 HydrophobicContact CE1-CD2 3.83Å; Y347-Y353 HydrophobicContact CE1-CE2 4.43Å; Y347-Y353 AromaticContact CE2-CD2 3.55Å; Y347-Y353 HydrophobicContact CE2-CD2 3.55Å; Y347-Y353 AromaticContact CE2-CE2 3.31Å; Y347-Y353 HydrophobicContact CE2-CE2 3.31Å; Y347-Y353 HydrophobicContact CG-CD2 4.16Å; Y347-Y353 HydrophobicContact CG-CE2 4.21Å; Y347-Y353 AromaticContact CZ-CD2 3.5Å; Y347-Y353 AromaticContact CZ-CE2 3.79Å; Y347-H356 WeakPolarHBondContact OH-CB 3.3Å; Y347-F357 AromaticContact CD1-CE1 3.62Å; Y347-F357 HydrophobicContact CD1-CE1 3.62Å; Y347-F357 HydrophobicContact CD1-CZ 4.02Å; Y347-F357 HydrophobicContact CE1-CD1 4.16Å; Y347-F357 AromaticContact CE1-CE1 3.44Å; Y347-F357 HydrophobicContact CE1-CE1 3.44Å; Y347-F357 VanDerWaalsContact CE1-CE1 3.44Å; Y347-F357 HydrophobicContact CE1-CZ 4.03Å
348	L	93.1	Very high	94.5	Very high	13 Å²	13	53 Å²	53	7%	0.068	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-33.4	175.5	-69.8	170	0	0	0	112.7	S303 L306 C340 L343 P344 A345 Q350 F357	S303-L348 WeakPolarHBondContact CB-O 3.35Å; S303-L348 PolarHBondContact OG-O 3.44Å; L306-L348 HydrophobicContact CD2-CD2 3.81Å; C340-L348 HydrophobicContact CB-CD1 4.4Å; L343-L348 HydrophobicContact CB-CD1 4.34Å; L343-L348 HydrophobicContact CB-CD2 3.96Å; L343-L348 HydrophobicContact CB-CG 3.96Å; L343-L348 HydrophobicContact CD1-CD2 4Å; P344-L348 PolarHBondContact O-N 3.25Å; A345-L348 PolarHBondContact O-N 3.37Å; L348-Q350 VanDerWaalsContact C-N 3.28Å; L348-Q350 PolarHBondContact O-N 3.34Å; L348-F357 HydrophobicContact CD2-CE1 4.09Å; L348-F357 HydrophobicContact CD2-CZ 4.42Å
349	A	91.2	Very high	94.6	Very high	66 Å²	66	51.1 Å²	51.1	55%	0.545	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.3	-179.5	0	0	0	0	0	115.1	A345 Y347 E351	A345-A349 WeakPolarHBondContact O-CB 3.49Å; A345-A349 PolarHBondContact O-N 3.22Å; Y347-A349 PolarHBondContact O-N 3.25Å; A349-E351 PolarHBondContact O-N 2.86Å
350	Q	93.2	Very high	94.7	Very high	75 Å²	75	52.2 Å²	52.2	35%	0.35	28%	0.278	S	S	.	.			trans	-75.9	124.5	-179.2	-59	-55.1	-53.2	0	0	111.5	S305 N346 Y347 L348 Y353	S305-Q350 WeakPolarHBondContact CB-O 3.25Å; S305-Q350 PolarHBondContact OG-O 3.18Å; N346-Q350 PolarHBondContact O-NE2 2.95Å; Y347-Q350 WeakPolarHBondContact O-CG 3.5Å; Y347-Q350 PolarHBondContact O-N 3.36Å; L348-Q350 VanDerWaalsContact C-N 3.28Å; L348-Q350 PolarHBondContact O-N 3.34Å; Q350-Y353 HydrophobicContact CB-CD1 3.66Å; Q350-Y353 HydrophobicContact CB-CD2 3.57Å; Q350-Y353 HydrophobicContact CB-CE1 4.02Å; Q350-Y353 HydrophobicContact CB-CE2 3.94Å; Q350-Y353 HydrophobicContact CB-CG 3.43Å; Q350-Y353 VanDerWaalsContact CB-CG 3.43Å; Q350-Y353 HydrophobicContact CG-CD1 4.26Å; Q350-Y353 HydrophobicContact CG-CD2 3.72Å; Q350-Y353 HydrophobicContact CG-CE1 4.14Å; Q350-Y353 HydrophobicContact CG-CE2 3.59Å; Q350-Y353 HydrophobicContact CG-CG 4.07Å
351	E	90.5	Very high	94.8	Very high	152 Å²	152	52.3 Å²	52.3	71%	0.71	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-25.1	-176.6	-64.5	-171.8	163.8	0	0	113.2	S305 A349	S305-E351 WeakPolarHBondContact CB-O 3.48Å; A349-E351 PolarHBondContact O-N 2.86Å
352	D	91.8	Very high	95	Very high	91 Å²	91	50.4 Å²	50.4	49%	0.487	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	11	-178.3	61.3	-23.6	0	0	0	113.6	N37	N37-D352 PolarHBondContact ND2-O 2.91Å; N37-D352 PolarHBondContact OD1-O 2.9Å
353	Y	96.3	Very high	95.2	Very high	67 Å²	67	46.6 Å²	46.6	26%	0.263	26%	0.258	S	S	.	.			trans	-98.5	10	-176.5	-78.2	21.4	0	0	0	113.7	Y347 Q350 A355 H356 F357	Y347-Y353 HydrophobicContact CD1-CD2 4.15Å; Y347-Y353 AromaticContact CD2-CD2 3.88Å; Y347-Y353 HydrophobicContact CD2-CD2 3.88Å; Y347-Y353 AromaticContact CD2-CE2 3.55Å; Y347-Y353 HydrophobicContact CD2-CE2 3.55Å; Y347-Y353 AromaticContact CE1-CD2 3.83Å; Y347-Y353 HydrophobicContact CE1-CD2 3.83Å; Y347-Y353 HydrophobicContact CE1-CE2 4.43Å; Y347-Y353 AromaticContact CE2-CD2 3.55Å; Y347-Y353 HydrophobicContact CE2-CD2 3.55Å; Y347-Y353 AromaticContact CE2-CE2 3.31Å; Y347-Y353 HydrophobicContact CE2-CE2 3.31Å; Y347-Y353 HydrophobicContact CG-CD2 4.16Å; Y347-Y353 HydrophobicContact CG-CE2 4.21Å; Y347-Y353 AromaticContact CZ-CD2 3.5Å; Y347-Y353 AromaticContact CZ-CE2 3.79Å; Q350-Y353 HydrophobicContact CB-CD1 3.66Å; Q350-Y353 HydrophobicContact CB-CD2 3.57Å; Q350-Y353 HydrophobicContact CB-CE1 4.02Å; Q350-Y353 HydrophobicContact CB-CE2 3.94Å; Q350-Y353 HydrophobicContact CB-CG 3.43Å; Q350-Y353 VanDerWaalsContact CB-CG 3.43Å; Q350-Y353 HydrophobicContact CG-CD1 4.26Å; Q350-Y353 HydrophobicContact CG-CD2 3.72Å; Q350-Y353 HydrophobicContact CG-CE1 4.14Å; Q350-Y353 HydrophobicContact CG-CE2 3.59Å; Q350-Y353 HydrophobicContact CG-CG 4.07Å; Y353-A355 PolarHBondContact O-N 3.39Å; Y353-H356 PolarHBondContact O-N 2.93Å; Y353-F357 WeakPolarHBondContact O-CD2 3.24Å; Y353-F357 WeakPolarHBondContact O-CG 3.31Å; Y353-F357 PolarHBondContact O-N 3Å
354	A	97.8	Very high	95.3	Very high	2 Å²	2	46 Å²	46	2%	0.017	26%	0.255	C	S	.	.	H	α-helix	trans	-55	-38.8	179.9	0	0	0	0	0	112.5	N37 I40 A309 F357 L358	N37-A354 PolarHBondContact OD1-N 3.01Å; I40-A354 HydrophobicContact CD1-CB 4.1Å; I40-A354 HydrophobicContact CG2-CB 4.08Å; A309-A354 VanDerWaalsContact CB-O 3.24Å; A309-A354 WeakPolarHBondContact CB-O 3.21Å; A354-F357 PolarHBondContact O-N 3.31Å; A354-L358 WeakPolarHBondContact O-CB 3.39Å; A354-L358 PolarHBondContact O-N 3.5Å
355	A	98.3	Very high	95.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-49	173.8	0	0	0	0	0	112.5	V33 L36 N37 I40 Y353 F357 L358 L359	V33-A355 HydrophobicContact CG1-CB 3.91Å; L36-A355 HydrophobicContact CB-CB 3.66Å; L36-A355 HydrophobicContact CD1-CB 4.41Å; N37-A355 WeakPolarHBondContact OD1-CB 3.46Å; N37-A355 PolarHBondContact OD1-N 3.36Å; I40-A355 HydrophobicContact CD1-CB 4.45Å; Y353-A355 PolarHBondContact O-N 3.39Å; A355-F357 VanDerWaalsContact C-N 3.33Å; A355-F357 PolarHBondContact O-N 3.05Å; A355-L358 PolarHBondContact O-N 3.42Å; A355-L359 VanDerWaalsContact O-CG 3.27Å; A355-L359 WeakPolarHBondContact O-CG 3.12Å; A355-L359 PolarHBondContact O-N 3.3Å
356	H	98.1	Very high	95.9	Very high	40 Å²	40	41 Å²	41	19%	0.185	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-41	178.1	-56.6	88	0	0	0	111.8	E24 V33 Y347 Y353 L359 G360	E24-H356 IonicContact OE1-CD2 3.92Å; E24-H356 IonicContact OE1-CE1 3.95Å; E24-H356 PolarHBondContact OE1-CE1 2.88Å; E24-H356 IonicContact OE1-NE2 3.96Å; E24-H356 PolarHBondContact OE1-NE2 3.31Å; E24-H356 IonicContact OE2-CE1 3.89Å; E24-H356 IonicContact OE2-NE2 2.93Å; V33-H356 VanDerWaalsContact CG1-CE1 3.42Å; V33-H356 WeakPolarHBondContact CG1-CE1 3.36Å; Y347-H356 WeakPolarHBondContact OH-CB 3.3Å; Y353-H356 PolarHBondContact O-N 2.93Å; H356-L359 PolarHBondContact O-N 2.85Å; H356-G360 PolarHBondContact O-N 3.47Å
357	F	98.5	Very high	96.1	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-44.6	175.5	-63.9	-45.8	0	0	0	112.1	S305 L306 A309 L343 Y347 L348 Y353 A354 A355 L359 G360 L361	S305-F357 WeakPolarHBondContact OG-CE2 3.43Å; L306-F357 HydrophobicContact CB-CD2 4.02Å; L306-F357 HydrophobicContact CB-CE2 4.29Å; L306-F357 HydrophobicContact CB-CG 4.31Å; L306-F357 HydrophobicContact CD1-CB 3.77Å; L306-F357 HydrophobicContact CD1-CD1 4.1Å; L306-F357 HydrophobicContact CD1-CD2 4.4Å; L306-F357 HydrophobicContact CD1-CG 3.85Å; A309-F357 HydrophobicContact CB-CB 3.54Å; L343-F357 HydrophobicContact CD1-CD1 4.16Å; L343-F357 HydrophobicContact CD1-CE1 3.97Å; Y347-F357 AromaticContact CD1-CE1 3.62Å; Y347-F357 HydrophobicContact CD1-CE1 3.62Å; Y347-F357 HydrophobicContact CD1-CZ 4.02Å; Y347-F357 HydrophobicContact CE1-CD1 4.16Å; Y347-F357 AromaticContact CE1-CE1 3.44Å; Y347-F357 HydrophobicContact CE1-CE1 3.44Å; Y347-F357 VanDerWaalsContact CE1-CE1 3.44Å; Y347-F357 HydrophobicContact CE1-CZ 4.03Å; L348-F357 HydrophobicContact CD2-CE1 4.09Å; L348-F357 HydrophobicContact CD2-CZ 4.42Å; Y353-F357 WeakPolarHBondContact O-CD2 3.24Å; Y353-F357 WeakPolarHBondContact O-CG 3.31Å; Y353-F357 PolarHBondContact O-N 3Å; A354-F357 PolarHBondContact O-N 3.31Å; A355-F357 VanDerWaalsContact C-N 3.33Å; A355-F357 PolarHBondContact O-N 3.05Å; F357-L359 PolarHBondContact O-N 3.47Å; F357-G360 PolarHBondContact O-N 3.06Å; F357-L361 WeakPolarHBondContact O-CB 3.48Å; F357-L361 VanDerWaalsContact O-CG 3.29Å; F357-L361 WeakPolarHBondContact O-CG 3.47Å; F357-L361 PolarHBondContact O-N 3.37Å
358	L	98.4	Very high	96.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.9	-49.5	177.7	171.8	63.1	0	0	0	110.6	I40 A309 A312 C313 A354 A355 G360 L361 I362 L411	I40-L358 HydrophobicContact CD1-CB 4.07Å; I40-L358 HydrophobicContact CD1-CD2 3.8Å; I40-L358 HydrophobicContact CG1-CD2 4.11Å; A309-L358 HydrophobicContact CB-CB 4.14Å; A312-L358 HydrophobicContact CB-CD1 4.49Å; C313-L358 HydrophobicContact CB-CD1 3.54Å; A354-L358 WeakPolarHBondContact O-CB 3.39Å; A354-L358 PolarHBondContact O-N 3.5Å; A355-L358 PolarHBondContact O-N 3.42Å; L358-G360 VanDerWaalsContact C-N 3.34Å; L358-G360 PolarHBondContact O-N 2.82Å; L358-L361 PolarHBondContact O-N 2.95Å; L358-I362 HydrophobicContact CD1-CD1 3.85Å; L358-I362 HydrophobicContact CD1-CG1 4.31Å; L358-I362 HydrophobicContact CG-CD1 3.96Å; L358-I362 WeakPolarHBondContact O-CD1 3.17Å; L358-I362 VanDerWaalsContact O-CG1 3.26Å; L358-I362 WeakPolarHBondContact O-CG1 3.19Å; L358-I362 PolarHBondContact O-N 3.13Å; L358-I362 VanDerWaalsContact O-N 3.09Å; L358-L411 HydrophobicContact CD2-CD1 3.79Å; L358-L411 HydrophobicContact CD2-CD2 3.94Å; L358-L411 HydrophobicContact CD2-CG 4.08Å
359	L	98.3	Very high	96.5	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.047	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-42.5	179.7	-64.9	175.3	0	0	0	111.8	D26 L36 A355 H356 F357 I362 D363 R404 P407	D26-L359 HydrophobicContact CB-CD1 3.77Å; L36-L359 HydrophobicContact CD1-CD1 4.11Å; L36-L359 HydrophobicContact CD1-CD2 4.27Å; L36-L359 HydrophobicContact CD1-CG 4.4Å; A355-L359 VanDerWaalsContact O-CG 3.27Å; A355-L359 WeakPolarHBondContact O-CG 3.12Å; A355-L359 PolarHBondContact O-N 3.3Å; H356-L359 PolarHBondContact O-N 2.85Å; F357-L359 PolarHBondContact O-N 3.47Å; L359-I362 PolarHBondContact O-N 3.14Å; L359-D363 PolarHBondContact O-N 3.08Å; L359-R404 PolarHBondContact O-NE 3.46Å; L359-P407 HydrophobicContact CD2-CB 3.98Å; L359-P407 HydrophobicContact CD2-CG 3.82Å
360	G	98	Very high	96.7	Very high	26 Å²	26	37.9 Å²	37.9	27%	0.268	19%	0.194	S	C	.	.	H	α-helix	trans	-64.5	-42.8	176.8	0	0	0	0	0	113.1	H356 F357 L358 I362 D363 D364	H356-G360 PolarHBondContact O-N 3.47Å; F357-G360 PolarHBondContact O-N 3.06Å; L358-G360 VanDerWaalsContact C-N 3.34Å; L358-G360 PolarHBondContact O-N 2.82Å; G360-I362 VanDerWaalsContact C-N 3.31Å; G360-I362 PolarHBondContact O-N 2.66Å; G360-D363 PolarHBondContact O-N 3.23Å; G360-D364 PolarHBondContact O-N 3.02Å
361	L	98.2	Very high	96.8	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-38.6	176.1	-72.3	172.2	0	0	0	111.9	L306 C313 M335 M336 F357 L358 L365	L306-L361 HydrophobicContact CD1-CD1 4.29Å; C313-L361 HydrophobicContact CB-CD1 4.38Å; M335-L361 WeakPolarHBondContact CE-O 3.39Å; M336-L361 HydrophobicContact CB-CD2 4.25Å; F357-L361 WeakPolarHBondContact O-CB 3.48Å; F357-L361 VanDerWaalsContact O-CG 3.29Å; F357-L361 WeakPolarHBondContact O-CG 3.47Å; F357-L361 PolarHBondContact O-N 3.37Å; L358-L361 PolarHBondContact O-N 2.95Å; L361-L365 PolarHBondContact O-N 3.33Å
362	I	97.7	Very high	97.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68	-38.8	176.1	-62.7	160.7	0	0	0	110.7	L358 L359 G360 L365 Q366 L400 V403 R404	L358-I362 HydrophobicContact CD1-CD1 3.85Å; L358-I362 HydrophobicContact CD1-CG1 4.31Å; L358-I362 HydrophobicContact CG-CD1 3.96Å; L358-I362 WeakPolarHBondContact O-CD1 3.17Å; L358-I362 VanDerWaalsContact O-CG1 3.26Å; L358-I362 WeakPolarHBondContact O-CG1 3.19Å; L358-I362 PolarHBondContact O-N 3.13Å; L358-I362 VanDerWaalsContact O-N 3.09Å; L359-I362 PolarHBondContact O-N 3.14Å; G360-I362 VanDerWaalsContact C-N 3.31Å; G360-I362 PolarHBondContact O-N 2.66Å; I362-L365 PolarHBondContact O-N 3.28Å; I362-Q366 WeakPolarHBondContact O-CB 3.41Å; I362-Q366 PolarHBondContact O-N 3.32Å; I362-L400 HydrophobicContact CG2-CD1 3.73Å; I362-L400 HydrophobicContact CG2-CG 4.04Å; I362-V403 HydrophobicContact CD1-CG1 3.82Å; I362-R404 HydrophobicContact CB-CG 4.24Å; I362-R404 VanDerWaalsContact CG2-CD 3.42Å; I362-R404 HydrophobicContact CG2-CG 3.36Å
363	D	97.7	Very high	97.3	Very high	54 Å²	54	33.1 Å²	33.1	29%	0.289	17%	0.173	S	C	.	.	H	α-helix	trans	-64.9	-43.2	174.4	-77	-22.2	0	0	0	112.7	R28 L359 G360 L365 Q366 H367 R404	R28-D363 IonicContact NH1-OD1 3.53Å; R28-D363 PolarHBondContact NH1-OD1 2.71Å; L359-D363 PolarHBondContact O-N 3.08Å; G360-D363 PolarHBondContact O-N 3.23Å; D363-L365 PolarHBondContact O-N 3.32Å; D363-Q366 WeakPolarHBondContact O-CB 3.29Å; D363-Q366 PolarHBondContact O-N 3.47Å; D363-Q366 VanDerWaalsContact O-N 3.16Å; D363-H367 WeakPolarHBondContact O-CB 3.43Å; D363-H367 PolarHBondContact O-N 3.34Å; D363-R404 VanDerWaalsContact CG-NE 3.33Å; D363-R404 IonicContact OD1-CZ 3.94Å; D363-R404 VanDerWaalsContact OD1-CZ 3.25Å; D363-R404 IonicContact OD1-NE 3.81Å; D363-R404 PolarHBondContact OD1-NE 3.12Å; D363-R404 IonicContact OD1-NH2 3.1Å; D363-R404 PolarHBondContact OD1-NH2 3.28Å; D363-R404 IonicContact OD2-CZ 3.93Å; D363-R404 IonicContact OD2-NE 2.7Å; D363-R404 IonicContact OD2-NH2 3.91Å; D363-R404 PolarHBondContact OD2-NH2 3.23Å
364	D	97.8	Very high	97.4	Very high	33 Å²	33	30 Å²	30	18%	0.176	16%	0.16	C	C	.	.	H	α-helix	trans	-60.5	-38	175.9	-76	-9.7	0	0	0	110.2	M335 R342 G360 H367 C368	M335-D364 VanDerWaalsContact CE-C 3.42Å; M335-D364 HydrophobicContact CE-CB 3.4Å; R342-D364 IonicContact CZ-OD1 3.53Å; R342-D364 IonicContact CZ-OD2 3.02Å; R342-D364 VanDerWaalsContact CZ-OD2 3.31Å; R342-D364 IonicContact NH1-OD1 2.83Å; R342-D364 PolarHBondContact NH1-OD1 3.47Å; R342-D364 IonicContact NH1-OD2 3.86Å; R342-D364 PolarHBondContact NH1-OD2 2.86Å; R342-D364 IonicContact NH2-OD1 3.34Å; R342-D364 PolarHBondContact NH2-OD1 3.45Å; R342-D364 IonicContact NH2-OD2 2.78Å; R342-D364 PolarHBondContact NH2-OD2 2.83Å; G360-D364 PolarHBondContact O-N 3.02Å; D364-H367 PolarHBondContact O-N 3.2Å; D364-C368 WeakPolarHBondContact O-CB 3.36Å; D364-C368 PolarHBondContact O-N 3.37Å; D364-C368 PolarHBondContact O-SG 2.91Å
365	L	97.2	Very high	97.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-68.2	-42.3	177.6	-177.9	62.4	0	0	0	110.1	I317 L321 I327 L332 M335 L361 I362 D363 H367 C368 L369 L400	I317-L365 HydrophobicContact CD1-CD2 3.99Å; I317-L365 HydrophobicContact CG1-CD2 4.07Å; I317-L365 HydrophobicContact CG2-CD2 3.69Å; L321-L365 HydrophobicContact CD1-CD2 4.2Å; I327-L365 HydrophobicContact CD1-CD1 4.41Å; I327-L365 HydrophobicContact CG2-CD1 4.09Å; L332-L365 HydrophobicContact CD2-CD1 4.17Å; L332-L365 HydrophobicContact CD2-CD2 3.88Å; L332-L365 HydrophobicContact CD2-CG 4.46Å; M335-L365 VanDerWaalsContact CE-CA 3.43Å; M335-L365 HydrophobicContact CE-CB 3.66Å; M335-L365 HydrophobicContact SD-CB 4.13Å; M335-L365 HydrophobicContact SD-CD1 3.92Å; L361-L365 PolarHBondContact O-N 3.33Å; I362-L365 PolarHBondContact O-N 3.28Å; D363-L365 PolarHBondContact O-N 3.32Å; L365-H367 VanDerWaalsContact C-N 3.29Å; L365-H367 PolarHBondContact O-N 2.93Å; L365-C368 PolarHBondContact O-N 3.06Å; L365-L369 HydrophobicContact CD1-CD1 4.43Å; L365-L369 HydrophobicContact CD1-CG 4.45Å; L365-L369 HydrophobicContact CG-CD1 4.04Å; L365-L369 WeakPolarHBondContact O-CB 3.06Å; L365-L369 WeakPolarHBondContact O-CG 3.01Å; L365-L369 PolarHBondContact O-N 3.11Å; L365-L400 HydrophobicContact CB-CD2 3.78Å; L365-L400 HydrophobicContact CD2-CD1 4.05Å; L365-L400 HydrophobicContact CD2-CD2 3.7Å; L365-L400 HydrophobicContact CG-CD2 3.59Å
366	Q	96.3	Very high	97.2	Very high	28 Å²	28	31.6 Å²	31.6	13%	0.131	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-44	175.6	-173.8	74	42.7	0	0	110.7	I362 D363 L369 V370 A397 L400	I362-Q366 WeakPolarHBondContact O-CB 3.41Å; I362-Q366 PolarHBondContact O-N 3.32Å; D363-Q366 WeakPolarHBondContact O-CB 3.29Å; D363-Q366 PolarHBondContact O-N 3.47Å; D363-Q366 VanDerWaalsContact O-N 3.16Å; Q366-L369 PolarHBondContact O-N 3.39Å; Q366-V370 WeakPolarHBondContact O-CB 3.25Å; Q366-V370 VanDerWaalsContact O-CG2 3.3Å; Q366-V370 WeakPolarHBondContact O-CG2 3.5Å; Q366-V370 PolarHBondContact O-N 3.16Å; Q366-A397 PolarHBondContact NE2-O 3.37Å; Q366-A397 PolarHBondContact OE1-O 2.88Å; Q366-A397 VanDerWaalsContact OE1-O 3.13Å; Q366-L400 HydrophobicContact CB-CD2 3.86Å; Q366-L400 VanDerWaalsContact N-CD2 3.34Å
367	H	96.8	Very high	97.2	Very high	105 Å²	105	29.7 Å²	29.7	49%	0.486	16%	0.162	S	C	.	.	H	α-helix	trans	-63.7	-46	176.6	-178.3	-86.1	0	0	0	111.5	D363 D364 L365 L369 V370 N371	D363-H367 WeakPolarHBondContact O-CB 3.43Å; D363-H367 PolarHBondContact O-N 3.34Å; D364-H367 PolarHBondContact O-N 3.2Å; L365-H367 VanDerWaalsContact C-N 3.29Å; L365-H367 PolarHBondContact O-N 2.93Å; H367-L369 VanDerWaalsContact C-N 3.31Å; H367-L369 PolarHBondContact O-N 3.42Å; H367-V370 PolarHBondContact O-N 3.12Å; H367-N371 PolarHBondContact CD2-ND2 3.37Å; H367-N371 PolarHBondContact CE1-ND2 3.01Å; H367-N371 VanDerWaalsContact CE1-ND2 3.29Å; H367-N371 PolarHBondContact NE2-ND2 2.68Å; H367-N371 VanDerWaalsContact NE2-ND2 3.15Å; H367-N371 WeakPolarHBondContact O-CB 3.43Å; H367-N371 PolarHBondContact O-N 3.28Å; H367-N371 PolarHBondContact O-ND2 3.31Å
368	C	97.3	Very high	97.1	Very high	12 Å²	12	29.4 Å²	29.4	8%	0.081	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-41.9	177.4	-69.3	0	0	0	0	111.7	D364 L365 K372 M373 C374 L385	D364-C368 WeakPolarHBondContact O-CB 3.36Å; D364-C368 PolarHBondContact O-N 3.37Å; D364-C368 PolarHBondContact O-SG 2.91Å; L365-C368 PolarHBondContact O-N 3.06Å; C368-K372 CarbonylContact O-C 3.56Å; C368-K372 VanDerWaalsContact O-CA 3.27Å; C368-K372 WeakPolarHBondContact O-CA 3.34Å; C368-K372 PolarHBondContact O-N 3.15Å; C368-M373 WeakPolarHBondContact CA-O 3.31Å; C368-M373 VanDerWaalsContact CB-O 3.27Å; C368-M373 WeakPolarHBondContact CB-O 3.39Å; C368-M373 PolarHBondContact O-N 3.44Å; C368-M373 PolarHBondContact SG-O 3.25Å; C368-M373 VanDerWaalsContact SG-O 3.37Å; C368-C374 HydrophobicContact CB-CB 4.15Å; C368-L385 HydrophobicContact CB-CD1 4.18Å
369	L	96.3	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-57.7	175.4	-74.5	167.2	0	0	0	110.5	I327 L365 Q366 H367 N371 K372 V393 H396 A397 L400	I327-L369 HydrophobicContact CD1-CD2 3.82Å; I327-L369 HydrophobicContact CG1-CD2 4.36Å; L365-L369 HydrophobicContact CD1-CD1 4.43Å; L365-L369 HydrophobicContact CD1-CG 4.45Å; L365-L369 HydrophobicContact CG-CD1 4.04Å; L365-L369 WeakPolarHBondContact O-CB 3.06Å; L365-L369 WeakPolarHBondContact O-CG 3.01Å; L365-L369 PolarHBondContact O-N 3.11Å; Q366-L369 PolarHBondContact O-N 3.39Å; H367-L369 VanDerWaalsContact C-N 3.31Å; H367-L369 PolarHBondContact O-N 3.42Å; L369-N371 PolarHBondContact O-N 2.92Å; L369-N371 VanDerWaalsContact O-N 3.08Å; L369-K372 PolarHBondContact O-N 3.29Å; L369-V393 VanDerWaalsContact C-CG1 3.48Å; L369-V393 HydrophobicContact CB-CG1 4.24Å; L369-V393 HydrophobicContact CD2-CG1 4.22Å; L369-V393 WeakPolarHBondContact O-CG1 3.44Å; L369-H396 HydrophobicContact CD1-CB 3.97Å; L369-H396 HydrophobicContact CD2-CB 3.77Å; L369-A397 HydrophobicContact CB-CB 4.08Å; L369-L400 HydrophobicContact CD1-CB 4.5Å; L369-L400 HydrophobicContact CD1-CD2 3.79Å
370	V	95.6	Very high	96.8	Very high	86 Å²	86	30.9 Å²	30.9	52%	0.521	17%	0.17	S	C	.	.	H	α-helix	trans	-56.7	-34.6	-175.7	170.6	0	0	0	0	112.7	Q366 H367 A397	Q366-V370 WeakPolarHBondContact O-CB 3.25Å; Q366-V370 VanDerWaalsContact O-CG2 3.3Å; Q366-V370 WeakPolarHBondContact O-CG2 3.5Å; Q366-V370 PolarHBondContact O-N 3.16Å; H367-V370 PolarHBondContact O-N 3.12Å; V370-A397 HydrophobicContact CG2-CB 4.2Å
371	N	96.5	Very high	96.6	Very high	89 Å²	89	36.7 Å²	36.7	48%	0.476	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-2	177.7	-64.7	-77.1	0	0	0	114	H367 L369 M373	H367-N371 PolarHBondContact CD2-ND2 3.37Å; H367-N371 PolarHBondContact CE1-ND2 3.01Å; H367-N371 VanDerWaalsContact CE1-ND2 3.29Å; H367-N371 PolarHBondContact NE2-ND2 2.68Å; H367-N371 VanDerWaalsContact NE2-ND2 3.15Å; H367-N371 WeakPolarHBondContact O-CB 3.43Å; H367-N371 PolarHBondContact O-N 3.28Å; H367-N371 PolarHBondContact O-ND2 3.31Å; L369-N371 PolarHBondContact O-N 2.92Å; L369-N371 VanDerWaalsContact O-N 3.08Å; N371-M373 HydrophobicContact CB-CB 4.27Å; N371-M373 PolarHBondContact O-N 2.86Å
372	K	96.9	Very high	96.4	Very high	49 Å²	49	37.1 Å²	37.1	21%	0.213	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	46.4	-171.9	-169.7	-179	166.1	179.9	0	112.1	C368 L369 N383 L388 E390 V393	C368-K372 CarbonylContact O-C 3.56Å; C368-K372 VanDerWaalsContact O-CA 3.27Å; C368-K372 WeakPolarHBondContact O-CA 3.34Å; C368-K372 PolarHBondContact O-N 3.15Å; L369-K372 PolarHBondContact O-N 3.29Å; K372-N383 PolarHBondContact O-ND2 3.37Å; K372-L388 WeakPolarHBondContact CE-O 3.31Å; K372-L388 PolarHBondContact NZ-O 3Å; K372-E390 WeakPolarHBondContact CD-OE1 3.43Å; K372-E390 IonicContact NZ-OE1 3.94Å; K372-E390 PolarHBondContact NZ-OE1 3.12Å; K372-V393 HydrophobicContact CB-CG1 4.39Å; K372-V393 HydrophobicContact CD-CG2 4.43Å; K372-V393 HydrophobicContact CG-CG2 4.09Å
373	M	96.3	Very high	96.3	Very high	81 Å²	81	39 Å²	39	40%	0.399	20%	0.204	S	C	.	.			trans	-143.5	108.8	-173.3	-170.1	-85.5	-67	0	0	109.3	C368 N371 P375 N383	C368-M373 WeakPolarHBondContact CA-O 3.31Å; C368-M373 VanDerWaalsContact CB-O 3.27Å; C368-M373 WeakPolarHBondContact CB-O 3.39Å; C368-M373 PolarHBondContact O-N 3.44Å; C368-M373 PolarHBondContact SG-O 3.25Å; C368-M373 VanDerWaalsContact SG-O 3.37Å; N371-M373 HydrophobicContact CB-CB 4.27Å; N371-M373 PolarHBondContact O-N 2.86Å; M373-P375 HydrophobicContact SD-CB 4.42Å; M373-P375 VanDerWaalsContact SD-CD 3.58Å; M373-P375 HydrophobicContact SD-CG 3.99Å; M373-N383 WeakPolarHBondContact CA-OD1 3.43Å
374	C	96.8	Very high	96.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	20%	0.195	C	C	.	.			trans	-128.3	100.1	171	-168.3	0	0	0	0	107.7	C368 N383 M384 L385	C368-C374 HydrophobicContact CB-CB 4.15Å; C374-N383 PolarHBondContact N-OD1 3.18Å; C374-M384 HydrophobicContact CB-CE 4.37Å; C374-M384 PolarHBondContact O-N 3.19Å; C374-M384 VanDerWaalsContact SG-CE 3.56Å; C374-L385 HydrophobicContact CB-CD1 3.7Å; C374-L385 HydrophobicContact CB-CD2 4.35Å; C374-L385 HydrophobicContact CB-CG 3.54Å
375	P	96.2	Very high	96.1	Very high	28 Å²	28	35.9 Å²	35.9	18%	0.182	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-74.2	134.8	-175.6	28.2	-26.6	0	0	0	109.6	W338 M373 P380	W338-P375 HydrophobicContact CZ2-CB 4.43Å; W338-P375 HydrophobicContact CZ2-CG 4.41Å; W338-P375 PolarHBondContact NE1-O 2.83Å; M373-P375 HydrophobicContact SD-CB 4.42Å; M373-P375 VanDerWaalsContact SD-CD 3.58Å; M373-P375 HydrophobicContact SD-CG 3.99Å; P375-P380 WeakPolarHBondContact CB-O 3.44Å
376	N	96.9	Very high	95.9	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.043	22%	0.218	C	C	.	.			trans	-61.3	137.8	169.7	-178.9	-80.8	0	0	0	109.6	F378 I379 P380 C382 M384	N376-F378 PolarHBondContact O-N 3.35Å; N376-F378 PolarHBondContact OD1-N 2.81Å; N376-I379 CarbonylContact O-C 3.32Å; N376-I379 VanDerWaalsContact O-C 3.26Å; N376-I379 PolarHBondContact OD1-N 3.05Å; N376-I379 VanDerWaalsContact OD1-N 3.11Å; N376-P380 VanDerWaalsContact O-CA 3.24Å; N376-P380 WeakPolarHBondContact O-CA 3.24Å; N376-C382 HydrophobicContact CB-CB 4.1Å; N376-C382 PolarHBondContact N-O 3.2Å; N376-M384 HydrophobicContact CB-CG 4.17Å; N376-M384 HydrophobicContact CB-SD 4.15Å
377	Y	96.9	Very high	95.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-61.6	-45.3	-173.9	-177.1	-106.7	0	0	0	113.4	W251 H256 W258 L298 L337 W338 D341	W251-Y377 AromaticContact CE2-CE1 3.72Å; W251-Y377 HydrophobicContact CZ2-CD1 4.33Å; W251-Y377 AromaticContact CZ2-CE1 3.44Å; W251-Y377 HydrophobicContact CZ2-CE1 3.44Å; W251-Y377 VanDerWaalsContact CZ2-CE1 3.44Å; W251-Y377 AromaticContact CZ2-CZ 3.89Å; W251-Y377 AromaticContact NE1-CD1 3.77Å; W251-Y377 AromaticContact NE1-CE1 3.5Å; W251-Y377 AromaticContact NE1-CZ 3.78Å; W251-Y377 PolarHBondContact NE1-O 3.35Å; H256-Y377 AromaticContact ND1-CZ 3.92Å; H256-Y377 PolarHBondContact ND1-OH 3.19Å; W258-Y377 WeakPolarHBondContact CZ2-OH 3.2Å; L298-Y377 HydrophobicContact CD1-CE1 3.64Å; L337-Y377 HydrophobicContact CB-CD1 3.98Å; L337-Y377 HydrophobicContact CB-CD2 3.38Å; L337-Y377 HydrophobicContact CB-CE1 4.04Å; L337-Y377 HydrophobicContact CB-CE2 3.47Å; L337-Y377 VanDerWaalsContact CB-CE2 3.47Å; L337-Y377 HydrophobicContact CB-CG 3.64Å; L337-Y377 HydrophobicContact CD1-CD1 3.6Å; L337-Y377 HydrophobicContact CD1-CD2 4.41Å; L337-Y377 HydrophobicContact CD1-CE1 4.1Å; L337-Y377 HydrophobicContact CD1-CG 3.76Å; L337-Y377 HydrophobicContact CG-CD1 4.38Å; L337-Y377 HydrophobicContact CG-CG 4.35Å; W338-Y377 AromaticContact CD2-CD2 3.8Å; W338-Y377 HydrophobicContact CD2-CD2 3.8Å; W338-Y377 HydrophobicContact CD2-CE2 4.32Å; W338-Y377 AromaticContact CE2-CD2 3.9Å; W338-Y377 HydrophobicContact CE3-CD2 4.15Å; W338-Y377 HydrophobicContact CE3-CE2 4.25Å; W338-Y377 HydrophobicContact CG-CD2 4.08Å; W338-Y377 HydrophobicContact CZ2-CD2 4.36Å; D341-Y377 PolarHBondContact OD1-OH 3.45Å; D341-Y377 VanDerWaalsContact OD1-OH 3.14Å; D341-Y377 VanDerWaalsContact OD2-CE2 3.23Å; D341-Y377 WeakPolarHBondContact OD2-CE2 3.44Å
378	F	96.5	Very high	95.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-88.5	-18.6	-176.5	-61.3	-78.8	0	0	0	113.7	W244 A248 W251 F291 E295 L298 N376	W244-F378 AromaticContact CH2-CD1 3.55Å; W244-F378 HydrophobicContact CH2-CD1 3.55Å; W244-F378 HydrophobicContact CH2-CE1 4.06Å; W244-F378 HydrophobicContact CH2-CG 4.35Å; W244-F378 HydrophobicContact CZ2-CB 4.45Å; W244-F378 AromaticContact CZ2-CD1 3.95Å; W244-F378 HydrophobicContact CZ2-CD1 3.95Å; A248-F378 WeakPolarHBondContact CB-O 3.35Å; W251-F378 HydrophobicContact CD2-CD1 4.05Å; W251-F378 AromaticContact CE2-CD1 3.83Å; W251-F378 HydrophobicContact CE3-CD1 4.43Å; W251-F378 HydrophobicContact CH2-CE1 4.24Å; W251-F378 HydrophobicContact CZ2-CD1 4.09Å; W251-F378 AromaticContact CZ2-CE1 3.95Å; W251-F378 HydrophobicContact CZ2-CE1 3.95Å; F291-F378 HydrophobicContact CB-CB 4.47Å; F291-F378 HydrophobicContact CB-CD1 4.11Å; F291-F378 HydrophobicContact CB-CD2 3.44Å; F291-F378 VanDerWaalsContact CB-CD2 3.44Å; F291-F378 HydrophobicContact CB-CE1 4.15Å; F291-F378 HydrophobicContact CB-CE2 3.5Å; F291-F378 HydrophobicContact CB-CG 3.74Å; F291-F378 HydrophobicContact CB-CZ 3.85Å; F291-F378 HydrophobicContact CD1-CB 4.21Å; F291-F378 HydrophobicContact CD1-CD1 4.33Å; F291-F378 HydrophobicContact CD1-CG 4.15Å; F291-F378 HydrophobicContact CD2-CB 3.41Å; F291-F378 VanDerWaalsContact CD2-CB 3.41Å; F291-F378 AromaticContact CD2-CD2 3.64Å; F291-F378 HydrophobicContact CD2-CD2 3.64Å; F291-F378 AromaticContact CD2-CG 3.62Å; F291-F378 HydrophobicContact CD2-CG 3.62Å; F291-F378 HydrophobicContact CE1-CB 4.29Å; F291-F378 HydrophobicContact CE2-CB 3.53Å; F291-F378 HydrophobicContact CE2-CG 4.24Å; F291-F378 HydrophobicContact CG-CB 3.77Å; F291-F378 HydrophobicContact CG-CD1 4.09Å; F291-F378 AromaticContact CG-CD2 3.67Å; F291-F378 HydrophobicContact CG-CD2 3.67Å; F291-F378 HydrophobicContact CG-CE2 4.25Å; F291-F378 AromaticContact CG-CG 3.56Å; F291-F378 HydrophobicContact CG-CG 3.56Å; F291-F378 HydrophobicContact CZ-CB 3.97Å; E295-F378 HydrophobicContact CG-CE2 3.5Å; E295-F378 HydrophobicContact CG-CZ 3.77Å; L298-F378 HydrophobicContact CD1-CE1 4.01Å; L298-F378 HydrophobicContact CD1-CZ 3.91Å; N376-F378 PolarHBondContact O-N 3.35Å; N376-F378 PolarHBondContact OD1-N 2.81Å
379	I	96	Very high	95.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.227	C	C	.	.	S	Bend	trans	-131.3	78.2	176.1	-56.3	173.5	0	0	0	107.5	C144 V247 A248 L289 F291 N376 Q381 C382	C144-I379 HydrophobicContact CB-CD1 4.22Å; C144-I379 WeakPolarHBondContact SG-CB 3.42Å; C144-I379 WeakPolarHBondContact SG-CD1 3.49Å; V247-I379 HydrophobicContact CG1-CD1 3.88Å; V247-I379 HydrophobicContact CG2-CG2 4.31Å; A248-I379 HydrophobicContact CB-CG1 3.98Å; L289-I379 HydrophobicContact CB-CD1 4.37Å; L289-I379 HydrophobicContact CD2-CD1 4.06Å; F291-I379 HydrophobicContact CE2-CD1 3.82Å; F291-I379 HydrophobicContact CE2-CG1 4.01Å; F291-I379 HydrophobicContact CZ-CD1 4.03Å; F291-I379 HydrophobicContact CZ-CG1 4.19Å; N376-I379 CarbonylContact O-C 3.32Å; N376-I379 VanDerWaalsContact O-C 3.26Å; N376-I379 PolarHBondContact OD1-N 3.05Å; N376-I379 VanDerWaalsContact OD1-N 3.11Å; I379-Q381 PolarHBondContact O-N 3.2Å; I379-C382 HydrophobicContact CB-CB 4.39Å; I379-C382 HydrophobicContact CG2-CB 4.07Å; I379-C382 WeakPolarHBondContact O-CB 3.23Å; I379-C382 PolarHBondContact O-N 2.83Å
380	P	94.8	Very high	95.4	Very high	40 Å²	40	48.5 Å²	48.5	26%	0.26	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.6	-171.3	-26.9	36.3	0	0	0	114.6	W338 P375 N376 C382	W338-P380 HydrophobicContact CH2-CB 4.08Å; W338-P380 HydrophobicContact CH2-CG 3.7Å; W338-P380 HydrophobicContact CZ2-CB 3.99Å; W338-P380 HydrophobicContact CZ2-CG 3.85Å; P375-P380 WeakPolarHBondContact CB-O 3.44Å; N376-P380 VanDerWaalsContact O-CA 3.24Å; N376-P380 WeakPolarHBondContact O-CA 3.24Å; P380-C382 PolarHBondContact O-N 2.9Å
381	Q	93.6	Very high	95.4	Very high	147 Å²	147	52.1 Å²	52.1	69%	0.687	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.7	175.4	-50	-70.9	13.3	0	0	113	L143 I379	L143-Q381 HydrophobicContact CD1-CB 3.97Å; L143-Q381 VanDerWaalsContact CD1-O 3.32Å; L143-Q381 WeakPolarHBondContact CD1-O 3.24Å; I379-Q381 PolarHBondContact O-N 3.2Å
382	C	95.1	Very high	95.3	Very high	17 Å²	17	49.4 Å²	49.4	12%	0.115	25%	0.249	C	C	.	.			trans	-89.5	109.1	-179.7	-180	0	0	0	0	110.7	L143 C144 N376 I379 P380 M384	L143-C382 HydrophobicContact CB-CB 4.03Å; C144-C382 HydrophobicContact CB-CB 4.43Å; C144-C382 WeakPolarHBondContact SG-CB 3.44Å; C144-C382 PolarHBondContact SG-SG 2.7Å; N376-C382 HydrophobicContact CB-CB 4.1Å; N376-C382 PolarHBondContact N-O 3.2Å; I379-C382 HydrophobicContact CB-CB 4.39Å; I379-C382 HydrophobicContact CG2-CB 4.07Å; I379-C382 WeakPolarHBondContact O-CB 3.23Å; I379-C382 PolarHBondContact O-N 2.83Å; P380-C382 PolarHBondContact O-N 2.9Å; C382-M384 PolarHBondContact O-N 3.34Å
383	N	95.5	Very high	95.2	Very high	40 Å²	40	47.2 Å²	47.2	21%	0.214	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-83.5	110.1	173.9	178.9	11.5	0	0	0	111.3	K372 M373 C374 L385 E386	K372-N383 PolarHBondContact O-ND2 3.37Å; M373-N383 WeakPolarHBondContact CA-OD1 3.43Å; C374-N383 PolarHBondContact N-OD1 3.18Å; N383-L385 PolarHBondContact O-N 3.38Å; N383-L385 PolarHBondContact OD1-N 3.01Å; N383-E386 HydrophobicContact CB-CB 4.26Å; N383-E386 WeakPolarHBondContact O-CB 3.41Å; N383-E386 PolarHBondContact O-N 3.38Å
384	M	95.3	Very high	95.1	Very high	19 Å²	19	47.2 Å²	47.2	9%	0.094	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-19.6	-178.4	-59.5	-175.9	-67.6	0	0	113.3	Y330 C374 N376 C382 H387	Y330-M384 HydrophobicContact CD1-SD 4.11Å; Y330-M384 HydrophobicContact CE1-SD 4.14Å; C374-M384 HydrophobicContact CB-CE 4.37Å; C374-M384 PolarHBondContact O-N 3.19Å; C374-M384 VanDerWaalsContact SG-CE 3.56Å; N376-M384 HydrophobicContact CB-CG 4.17Å; N376-M384 HydrophobicContact CB-SD 4.15Å; C382-M384 PolarHBondContact O-N 3.34Å; M384-H387 PolarHBondContact O-CE1 3.06Å; M384-H387 PolarHBondContact O-ND1 3.42Å
385	L	95.1	Very high	95	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	3.1	178	-57.1	-178.1	0	0	0	113.8	I327 C368 C374 N383 H387 L388	I327-L385 HydrophobicContact CD1-CD2 3.77Å; C368-L385 HydrophobicContact CB-CD1 4.18Å; C374-L385 HydrophobicContact CB-CD1 3.7Å; C374-L385 HydrophobicContact CB-CD2 4.35Å; C374-L385 HydrophobicContact CB-CG 3.54Å; N383-L385 PolarHBondContact O-N 3.38Å; N383-L385 PolarHBondContact OD1-N 3.01Å; L385-H387 PolarHBondContact O-N 3.09Å; L385-H387 VanDerWaalsContact O-N 3.14Å; L385-L388 HydrophobicContact CB-CD1 4.23Å; L385-L388 HydrophobicContact CD2-CD1 3.74Å; L385-L388 HydrophobicContact CG-CD1 4.46Å; L385-L388 PolarHBondContact O-N 2.69Å
386	E	93.3	Very high	95	Very high	138 Å²	138	49 Å²	49	65%	0.645	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-37.3	-174	-175.1	179.1	176.6	0	0	112.8	N383 L388	N383-E386 HydrophobicContact CB-CB 4.26Å; N383-E386 WeakPolarHBondContact O-CB 3.41Å; N383-E386 PolarHBondContact O-N 3.38Å; E386-L388 VanDerWaalsContact C-N 3.29Å; E386-L388 PolarHBondContact O-N 3.01Å
387	H	91.9	Very high	94.9	Very high	89 Å²	89	48.9 Å²	48.9	41%	0.412	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.5	-177.3	67.5	-78.7	0	0	0	114.4	Y279 M384 L385	Y279-H387 HydrophobicContact CD1-CB 4.06Å; Y279-H387 HydrophobicContact CD2-CB 4.27Å; Y279-H387 HydrophobicContact CG-CB 3.76Å; M384-H387 PolarHBondContact O-CE1 3.06Å; M384-H387 PolarHBondContact O-ND1 3.42Å; L385-H387 PolarHBondContact O-N 3.09Å; L385-H387 VanDerWaalsContact O-N 3.14Å
388	L	93.9	Very high	94.7	Very high	16 Å²	16	57 Å²	57	8%	0.084	28%	0.278	C	S	.	.	S	Bend	trans	-76.3	149	-177.3	-60.3	-179.1	0	0	0	111.9	A326 K372 L385 E386 T392 V393	A326-L388 HydrophobicContact CB-CD1 3.96Å; A326-L388 HydrophobicContact CB-CD2 3.76Å; K372-L388 WeakPolarHBondContact CE-O 3.31Å; K372-L388 PolarHBondContact NZ-O 3Å; L385-L388 HydrophobicContact CB-CD1 4.23Å; L385-L388 HydrophobicContact CD2-CD1 3.74Å; L385-L388 HydrophobicContact CG-CD1 4.46Å; L385-L388 PolarHBondContact O-N 2.69Å; E386-L388 VanDerWaalsContact C-N 3.29Å; E386-L388 PolarHBondContact O-N 3.01Å; L388-T392 HydrophobicContact CD2-CG2 4.31Å; L388-V393 HydrophobicContact CB-CG2 3.55Å; L388-V393 HydrophobicContact CD1-CG2 3.95Å; L388-V393 HydrophobicContact CG-CG2 4.43Å
389	S	94.6	Very high	94.6	Very high	56 Å²	56	60 Å²	60	39%	0.392	29%	0.291	S	S	.	.			trans	-79.3	153.1	171.2	66.3	0	0	0	0	111.3	E391 T392 V393	S389-E391 PolarHBondContact O-N 2.85Å; S389-T392 PolarHBondContact O-N 3.37Å; S389-T392 VanDerWaalsContact O-N 3.13Å; S389-T392 WeakPolarHBondContact OG-CB 3.23Å; S389-T392 PolarHBondContact OG-N 2.85Å; S389-T392 PolarHBondContact OG-OG1 3.28Å; S389-V393 VanDerWaalsContact O-CG2 3.31Å; S389-V393 WeakPolarHBondContact O-CG2 3.49Å; S389-V393 PolarHBondContact O-N 3.3Å
390	E	95.3	Very high	94.6	Very high	112 Å²	112	60 Å²	60	52%	0.523	29%	0.291	S	S	.	.	H	α-helix	trans	-55.6	-39.5	175	-61.6	-51.7	137.5	0	0	112	K372 V393 M394	K372-E390 WeakPolarHBondContact CD-OE1 3.43Å; K372-E390 IonicContact NZ-OE1 3.94Å; K372-E390 PolarHBondContact NZ-OE1 3.12Å; E390-V393 PolarHBondContact O-N 2.88Å; E390-M394 VanDerWaalsContact O-CB 3.3Å; E390-M394 WeakPolarHBondContact O-CB 3.29Å; E390-M394 VanDerWaalsContact O-CG 3.26Å; E390-M394 WeakPolarHBondContact O-CG 3.43Å; E390-M394 PolarHBondContact O-N 3.36Å
391	E	95.4	Very high	94.6	Very high	162 Å²	162	60.3 Å²	60.3	76%	0.757	29%	0.294	S	S	*	.	H	α-helix	trans	-61.6	-47.3	176.7	-175.3	-177.9	-177	0	0	112	S389 V393 M394 L395	S389-E391 PolarHBondContact O-N 2.85Å; E391-V393 VanDerWaalsContact C-N 3.34Å; E391-V393 PolarHBondContact O-N 3.48Å; E391-M394 PolarHBondContact O-N 3.29Å; E391-L395 VanDerWaalsContact O-CB 3.32Å; E391-L395 WeakPolarHBondContact O-CB 3.29Å; E391-L395 PolarHBondContact O-N 3.04Å
392	T	94.2	Very high	94.6	Very high	32 Å²	32	55.7 Å²	55.7	20%	0.196	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-47	178.2	-66.7	0	0	0	0	110.4	A326 L388 S389 L395 H396	A326-T392 HydrophobicContact CB-CG2 3.71Å; L388-T392 HydrophobicContact CD2-CG2 4.31Å; S389-T392 PolarHBondContact O-N 3.37Å; S389-T392 VanDerWaalsContact O-N 3.13Å; S389-T392 WeakPolarHBondContact OG-CB 3.23Å; S389-T392 PolarHBondContact OG-N 2.85Å; S389-T392 PolarHBondContact OG-OG1 3.28Å; T392-L395 WeakPolarHBondContact O-CB 3.48Å; T392-L395 PolarHBondContact O-N 3.47Å; T392-H396 PolarHBondContact O-N 3.39Å; T392-H396 PolarHBondContact O-ND1 3.03Å
393	V	95.1	Very high	94.6	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-45	-178.4	172.8	0	0	0	0	111.3	L369 K372 L388 S389 E390 E391 L395 H396 A397	L369-V393 VanDerWaalsContact C-CG1 3.48Å; L369-V393 HydrophobicContact CB-CG1 4.24Å; L369-V393 HydrophobicContact CD2-CG1 4.22Å; L369-V393 WeakPolarHBondContact O-CG1 3.44Å; K372-V393 HydrophobicContact CB-CG1 4.39Å; K372-V393 HydrophobicContact CD-CG2 4.43Å; K372-V393 HydrophobicContact CG-CG2 4.09Å; L388-V393 HydrophobicContact CB-CG2 3.55Å; L388-V393 HydrophobicContact CD1-CG2 3.95Å; L388-V393 HydrophobicContact CG-CG2 4.43Å; S389-V393 VanDerWaalsContact O-CG2 3.31Å; S389-V393 WeakPolarHBondContact O-CG2 3.49Å; S389-V393 PolarHBondContact O-N 3.3Å; E390-V393 PolarHBondContact O-N 2.88Å; E391-V393 VanDerWaalsContact C-N 3.34Å; E391-V393 PolarHBondContact O-N 3.48Å; V393-L395 PolarHBondContact O-N 3.46Å; V393-H396 PolarHBondContact O-N 3.46Å; V393-A397 WeakPolarHBondContact O-CB 3.42Å; V393-A397 PolarHBondContact O-N 3.2Å
394	M	94.8	Very high	94.6	Very high	82 Å²	82	53.4 Å²	53.4	40%	0.404	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-38.7	176.3	-75.4	-60.9	-62.9	0	0	112.8	E390 E391 H396 A397 R398	E390-M394 VanDerWaalsContact O-CB 3.3Å; E390-M394 WeakPolarHBondContact O-CB 3.29Å; E390-M394 VanDerWaalsContact O-CG 3.26Å; E390-M394 WeakPolarHBondContact O-CG 3.43Å; E390-M394 PolarHBondContact O-N 3.36Å; E391-M394 PolarHBondContact O-N 3.29Å; M394-H396 VanDerWaalsContact C-N 3.35Å; M394-A397 PolarHBondContact O-N 3.34Å; M394-R398 WeakPolarHBondContact O-CG 3.48Å; M394-R398 PolarHBondContact O-N 3.44Å
395	L	95	Very high	94.7	Very high	67 Å²	67	56.2 Å²	56.2	35%	0.351	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-46.5	173.7	174.4	64.2	0	0	0	111	P324 E391 T392 V393 R398 K399	P324-L395 HydrophobicContact CG-CD2 4.29Å; E391-L395 VanDerWaalsContact O-CB 3.32Å; E391-L395 WeakPolarHBondContact O-CB 3.29Å; E391-L395 PolarHBondContact O-N 3.04Å; T392-L395 WeakPolarHBondContact O-CB 3.48Å; T392-L395 PolarHBondContact O-N 3.47Å; V393-L395 PolarHBondContact O-N 3.46Å; L395-R398 PolarHBondContact O-N 3.16Å; L395-K399 WeakPolarHBondContact O-CG 3.21Å; L395-K399 PolarHBondContact O-N 3.09Å
396	H	94.9	Very high	94.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-42.6	179.1	-76.2	73.2	0	0	0	111.8	L321 P324 A326 L369 T392 V393 M394 R398 K399 L400	L321-H396 HydrophobicContact CD2-CB 4.42Å; P324-H396 PolarHBondContact O-CE1 3.12Å; P324-H396 PolarHBondContact O-NE2 3.46Å; A326-H396 VanDerWaalsContact CB-CE1 3.48Å; A326-H396 WeakPolarHBondContact CB-CE1 3.44Å; A326-H396 WeakPolarHBondContact CB-NE2 3.28Å; L369-H396 HydrophobicContact CD1-CB 3.97Å; L369-H396 HydrophobicContact CD2-CB 3.77Å; T392-H396 PolarHBondContact O-N 3.39Å; T392-H396 PolarHBondContact O-ND1 3.03Å; V393-H396 PolarHBondContact O-N 3.46Å; M394-H396 VanDerWaalsContact C-N 3.35Å; H396-R398 VanDerWaalsContact C-N 3.28Å; H396-R398 PolarHBondContact O-N 2.76Å; H396-K399 PolarHBondContact O-N 3.04Å; H396-L400 VanDerWaalsContact O-CB 3.32Å; H396-L400 WeakPolarHBondContact O-CB 3.48Å; H396-L400 PolarHBondContact O-N 2.6Å
397	A	95.3	Very high	95	Very high	4 Å²	4	53 Å²	53	3%	0.033	27%	0.273	C	S	.	.	H	α-helix	trans	-58.7	-39.2	175.2	0	0	0	0	0	112	Q366 L369 V370 V393 M394 S401	Q366-A397 PolarHBondContact NE2-O 3.37Å; Q366-A397 PolarHBondContact OE1-O 2.88Å; Q366-A397 VanDerWaalsContact OE1-O 3.13Å; L369-A397 HydrophobicContact CB-CB 4.08Å; V370-A397 HydrophobicContact CG2-CB 4.2Å; V393-A397 WeakPolarHBondContact O-CB 3.42Å; V393-A397 PolarHBondContact O-N 3.2Å; M394-A397 PolarHBondContact O-N 3.34Å; A397-S401 PolarHBondContact O-N 3.11Å; A397-S401 VanDerWaalsContact O-N 3.1Å
398	R	94.1	Very high	95.3	Very high	170 Å²	170	49 Å²	49	64%	0.642	26%	0.255	S	S	*	.	H	α-helix	trans	-67.8	-45.8	175.3	-73.1	173.6	-175	166.1	3.2	111.9	M394 L395 H396 L400 S401	M394-R398 WeakPolarHBondContact O-CG 3.48Å; M394-R398 PolarHBondContact O-N 3.44Å; L395-R398 PolarHBondContact O-N 3.16Å; H396-R398 VanDerWaalsContact C-N 3.28Å; H396-R398 PolarHBondContact O-N 2.76Å; R398-L400 VanDerWaalsContact C-N 3.3Å; R398-L400 PolarHBondContact O-N 3.48Å; R398-S401 WeakPolarHBondContact O-CB 3.24Å; R398-S401 PolarHBondContact O-N 3.24Å; R398-S401 PolarHBondContact O-OG 2.85Å
399	K	94.3	Very high	95.5	Very high	65 Å²	65	52.5 Å²	52.5	28%	0.283	27%	0.271	S	S	.	.	H	α-helix	trans	-58.4	-46.2	176.2	-72.9	-178.5	175.5	-166.5	0	111.1	L320 L321 R323 L395 H396 S401 S402	L320-K399 HydrophobicContact CD2-CB 4.47Å; L320-K399 HydrophobicContact CG-CB 4.44Å; L321-K399 HydrophobicContact CD2-CB 3.72Å; L321-K399 HydrophobicContact CD2-CD 4.04Å; R323-K399 PolarHBondContact O-NZ 2.85Å; L395-K399 WeakPolarHBondContact O-CG 3.21Å; L395-K399 PolarHBondContact O-N 3.09Å; H396-K399 PolarHBondContact O-N 3.04Å; K399-S401 VanDerWaalsContact C-N 3.28Å; K399-S401 PolarHBondContact O-N 3.31Å; K399-S402 WeakPolarHBondContact O-CB 3.41Å; K399-S402 PolarHBondContact O-N 3.47Å; K399-S402 VanDerWaalsContact O-N 3.14Å; K399-S402 PolarHBondContact O-OG 2.91Å
400	L	95	Very high	95.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-33.9	-179.8	-172.4	62.2	0	0	0	113	I317 I362 L365 Q366 L369 H396 R398 S402 V403 R404	I317-L400 HydrophobicContact CD1-CD1 3.18Å; I362-L400 HydrophobicContact CG2-CD1 3.73Å; I362-L400 HydrophobicContact CG2-CG 4.04Å; L365-L400 HydrophobicContact CB-CD2 3.78Å; L365-L400 HydrophobicContact CD2-CD1 4.05Å; L365-L400 HydrophobicContact CD2-CD2 3.7Å; L365-L400 HydrophobicContact CG-CD2 3.59Å; Q366-L400 HydrophobicContact CB-CD2 3.86Å; Q366-L400 VanDerWaalsContact N-CD2 3.34Å; L369-L400 HydrophobicContact CD1-CB 4.5Å; L369-L400 HydrophobicContact CD1-CD2 3.79Å; H396-L400 VanDerWaalsContact O-CB 3.32Å; H396-L400 WeakPolarHBondContact O-CB 3.48Å; H396-L400 PolarHBondContact O-N 2.6Å; R398-L400 VanDerWaalsContact C-N 3.3Å; R398-L400 PolarHBondContact O-N 3.48Å; L400-S402 PolarHBondContact O-N 3.34Å; L400-V403 HydrophobicContact CD1-CB 4.46Å; L400-V403 HydrophobicContact CD1-CG2 4.28Å; L400-V403 WeakPolarHBondContact O-CB 3.43Å; L400-V403 PolarHBondContact O-N 3.23Å; L400-R404 PolarHBondContact O-N 3.41Å
401	S	94.4	Very high	95.7	Very high	46 Å²	46	46.5 Å²	46.5	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-57	-33.5	175.8	77.1	0	0	0	0	113	A397 R398 K399 V403 R404 S405	A397-S401 PolarHBondContact O-N 3.11Å; A397-S401 VanDerWaalsContact O-N 3.1Å; R398-S401 WeakPolarHBondContact O-CB 3.24Å; R398-S401 PolarHBondContact O-N 3.24Å; R398-S401 PolarHBondContact O-OG 2.85Å; K399-S401 VanDerWaalsContact C-N 3.28Å; K399-S401 PolarHBondContact O-N 3.31Å; S401-V403 VanDerWaalsContact C-N 3.26Å; S401-V403 PolarHBondContact O-N 2.92Å; S401-R404 PolarHBondContact O-N 3.28Å; S401-S405 PolarHBondContact O-N 3.31Å; S401-S405 VanDerWaalsContact O-N 3.12Å; S401-S405 PolarHBondContact O-OG 2.98Å
402	S	94.1	Very high	95.9	Very high	50 Å²	50	43 Å²	43	35%	0.35	22%	0.217	S	C	.	.	H	α-helix	trans	-66.1	-28.4	176.4	73.6	0	0	0	0	113.1	K399 L400 S405 D406 H410	K399-S402 WeakPolarHBondContact O-CB 3.41Å; K399-S402 PolarHBondContact O-N 3.47Å; K399-S402 VanDerWaalsContact O-N 3.14Å; K399-S402 PolarHBondContact O-OG 2.91Å; L400-S402 PolarHBondContact O-N 3.34Å; S402-S405 PolarHBondContact O-N 2.85Å; S402-D406 PolarHBondContact O-N 2.95Å; S402-H410 PolarHBondContact O-NE2 3.49Å
403	V	95	Very high	96	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.5	-41.5	174.2	-172.5	0	0	0	0	110.6	I316 L320 I362 L400 S401 S405 D406 P407 H410	I316-V403 HydrophobicContact CG2-CG1 3.78Å; I316-V403 HydrophobicContact CG2-CG2 4.02Å; L320-V403 HydrophobicContact CD2-CG2 3.17Å; I362-V403 HydrophobicContact CD1-CG1 3.82Å; L400-V403 HydrophobicContact CD1-CB 4.46Å; L400-V403 HydrophobicContact CD1-CG2 4.28Å; L400-V403 WeakPolarHBondContact O-CB 3.43Å; L400-V403 PolarHBondContact O-N 3.23Å; S401-V403 VanDerWaalsContact C-N 3.26Å; S401-V403 PolarHBondContact O-N 2.92Å; V403-S405 VanDerWaalsContact C-N 3.27Å; V403-S405 PolarHBondContact O-N 3.22Å; V403-D406 CarbonylContact O-C 3.5Å; V403-D406 VanDerWaalsContact O-C 3.32Å; V403-D406 PolarHBondContact O-N 3.39Å; V403-P407 VanDerWaalsContact O-CA 3.3Å; V403-P407 WeakPolarHBondContact O-CA 3.45Å; V403-P407 WeakPolarHBondContact O-CD 3.37Å; V403-H410 HydrophobicContact CG1-CB 4.27Å
404	R	96	Very high	96	Very high	10 Å²	10	44.4 Å²	44.4	4%	0.038	23%	0.225	C	C	.	.	H	α-helix	trans	-73.6	-19.5	178.9	-72.6	-64.7	-92.9	112.1	-14.5	114.1	D26 R28 S29 L359 I362 D363 L400 S401	D26-R404 IonicContact OD1-NH1 3.07Å; D26-R404 IonicContact OD2-NH1 2.84Å; D26-R404 PolarHBondContact OD2-NH1 3.27Å; R28-R404 VanDerWaalsContact CZ-CB 3.45Å; S29-R404 WeakPolarHBondContact CB-O 3.23Å; L359-R404 PolarHBondContact O-NE 3.46Å; I362-R404 HydrophobicContact CB-CG 4.24Å; I362-R404 VanDerWaalsContact CG2-CD 3.42Å; I362-R404 HydrophobicContact CG2-CG 3.36Å; D363-R404 VanDerWaalsContact CG-NE 3.33Å; D363-R404 IonicContact OD1-CZ 3.94Å; D363-R404 VanDerWaalsContact OD1-CZ 3.25Å; D363-R404 IonicContact OD1-NE 3.81Å; D363-R404 PolarHBondContact OD1-NE 3.12Å; D363-R404 IonicContact OD1-NH2 3.1Å; D363-R404 PolarHBondContact OD1-NH2 3.28Å; D363-R404 IonicContact OD2-CZ 3.93Å; D363-R404 IonicContact OD2-NE 2.7Å; D363-R404 IonicContact OD2-NH2 3.91Å; D363-R404 PolarHBondContact OD2-NH2 3.23Å; L400-R404 PolarHBondContact O-N 3.41Å; S401-R404 PolarHBondContact O-N 3.28Å
405	S	96.6	Very high	96.1	Very high	77 Å²	77	40.6 Å²	40.6	54%	0.538	21%	0.207	S	C	.	.	H	α-helix	trans	-75.3	-33.4	172.4	-64.6	0	0	0	0	112.6	S29 S401 S402 V403	S29-S405 WeakPolarHBondContact CB-O 3.48Å; S401-S405 PolarHBondContact O-N 3.31Å; S401-S405 VanDerWaalsContact O-N 3.12Å; S401-S405 PolarHBondContact O-OG 2.98Å; S402-S405 PolarHBondContact O-N 2.85Å; V403-S405 VanDerWaalsContact C-N 3.27Å; V403-S405 PolarHBondContact O-N 3.22Å
406	D	97.4	Very high	96.1	Very high	74 Å²	74	41.9 Å²	41.9	40%	0.396	21%	0.211	S	C	.	.			trans	-146.8	72.6	178.8	-169	-11	0	0	0	112.5	S402 V403 A408 E409 H410	S402-D406 PolarHBondContact O-N 2.95Å; V403-D406 CarbonylContact O-C 3.5Å; V403-D406 VanDerWaalsContact O-C 3.32Å; V403-D406 PolarHBondContact O-N 3.39Å; D406-A408 PolarHBondContact O-N 2.88Å; D406-A408 PolarHBondContact OD1-N 2.95Å; D406-E409 HydrophobicContact CB-CB 4.41Å; D406-E409 VanDerWaalsContact CG-CB 3.5Å; D406-E409 PolarHBondContact O-N 3.2Å; D406-E409 PolarHBondContact OD1-N 3.34Å; D406-E409 VanDerWaalsContact OD1-N 3.08Å; D406-E409 WeakPolarHBondContact OD2-CB 3.4Å; D406-H410 PolarHBondContact O-CD2 3.46Å
407	P	97.5	Very high	96	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.7	-26.4	-177.4	24.8	-32.6	0	0	0	112.7	A31 L36 L359 V403 L411	A31-P407 HydrophobicContact CB-CG 4.25Å; L36-P407 HydrophobicContact CD1-CG 4.12Å; L36-P407 HydrophobicContact CD2-CB 4.18Å; L36-P407 HydrophobicContact CD2-CG 4.04Å; L359-P407 HydrophobicContact CD2-CB 3.98Å; L359-P407 HydrophobicContact CD2-CG 3.82Å; V403-P407 VanDerWaalsContact O-CA 3.3Å; V403-P407 WeakPolarHBondContact O-CA 3.45Å; V403-P407 WeakPolarHBondContact O-CD 3.37Å; P407-L411 WeakPolarHBondContact O-CB 3.21Å; P407-L411 WeakPolarHBondContact O-CG 3.49Å; P407-L411 PolarHBondContact O-N 2.9Å
408	A	98.1	Very high	95.7	Very high	5 Å²	5	46 Å²	46	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-43.7	179.8	0	0	0	0	0	111.4	L36 L39 D406 L411 R412	L36-A408 HydrophobicContact CD2-CB 3.85Å; L39-A408 HydrophobicContact CD1-CB 3.94Å; D406-A408 PolarHBondContact O-N 2.88Å; D406-A408 PolarHBondContact OD1-N 2.95Å; A408-L411 PolarHBondContact O-N 3.46Å; A408-R412 WeakPolarHBondContact O-CG 3.49Å; A408-R412 PolarHBondContact O-N 2.83Å
409	E	97.5	Very high	95.6	Very high	88 Å²	88	39.8 Å²	39.8	41%	0.411	21%	0.208	S	C	.	.	H	α-helix	trans	-66.7	-39.2	179.4	-175.2	55.8	-159.8	0	0	112.8	D406 L411 R412 T413	D406-E409 HydrophobicContact CB-CB 4.41Å; D406-E409 VanDerWaalsContact CG-CB 3.5Å; D406-E409 PolarHBondContact O-N 3.2Å; D406-E409 PolarHBondContact OD1-N 3.34Å; D406-E409 VanDerWaalsContact OD1-N 3.08Å; D406-E409 WeakPolarHBondContact OD2-CB 3.4Å; E409-L411 VanDerWaalsContact C-N 3.34Å; E409-L411 PolarHBondContact O-N 3.27Å; E409-R412 PolarHBondContact O-N 3.02Å; E409-R412 IonicContact OE2-NH1 3.79Å; E409-R412 PolarHBondContact OE2-NH1 2.87Å; E409-T413 WeakPolarHBondContact O-CB 3.47Å; E409-T413 PolarHBondContact O-N 3.4Å; E409-T413 PolarHBondContact O-OG1 3.46Å
410	H	97.6	Very high	95.4	Very high	42 Å²	42	38.2 Å²	38.2	19%	0.194	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-36.1	175.1	-72.8	-80.1	0	0	0	112.2	I316 S402 V403 D406 T413 A414	I316-H410 HydrophobicContact CD1-CB 4.18Å; I316-H410 HydrophobicContact CG1-CB 4.22Å; I316-H410 HydrophobicContact CG2-CB 3.92Å; S402-H410 PolarHBondContact O-NE2 3.49Å; V403-H410 HydrophobicContact CG1-CB 4.27Å; D406-H410 PolarHBondContact O-CD2 3.46Å; H410-T413 PolarHBondContact O-N 2.89Å; H410-A414 WeakPolarHBondContact O-CB 3.44Å; H410-A414 PolarHBondContact O-N 3.16Å
411	L	98	Very high	94.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-47.7	172.1	-80.1	168	0	0	0	112	L36 L39 I40 A312 I316 L358 P407 A408 E409 T413 A414 I415	L36-L411 HydrophobicContact CD2-CD1 3.91Å; L39-L411 HydrophobicContact CB-CB 4.05Å; L39-L411 HydrophobicContact CB-CD1 3.92Å; L39-L411 HydrophobicContact CD1-CB 4.16Å; L39-L411 HydrophobicContact CD1-CD1 4.33Å; I40-L411 HydrophobicContact CG1-CD1 4.04Å; I40-L411 HydrophobicContact CG1-CD2 3.99Å; A312-L411 HydrophobicContact CB-CD2 3.83Å; I316-L411 HydrophobicContact CD1-CD2 3.95Å; I316-L411 HydrophobicContact CD1-CG 4.05Å; L358-L411 HydrophobicContact CD2-CD1 3.79Å; L358-L411 HydrophobicContact CD2-CD2 3.94Å; L358-L411 HydrophobicContact CD2-CG 4.08Å; P407-L411 WeakPolarHBondContact O-CB 3.21Å; P407-L411 WeakPolarHBondContact O-CG 3.49Å; P407-L411 PolarHBondContact O-N 2.9Å; A408-L411 PolarHBondContact O-N 3.46Å; E409-L411 VanDerWaalsContact C-N 3.34Å; E409-L411 PolarHBondContact O-N 3.27Å; L411-T413 VanDerWaalsContact C-N 3.28Å; L411-T413 PolarHBondContact O-N 3.25Å; L411-A414 WeakPolarHBondContact O-CB 3.35Å; L411-A414 PolarHBondContact O-N 3.12Å; L411-A414 VanDerWaalsContact O-N 3.1Å; L411-I415 VanDerWaalsContact O-CG1 3.3Å; L411-I415 WeakPolarHBondContact O-CG1 3.35Å; L411-I415 PolarHBondContact O-N 3.14Å
412	R	98.1	Very high	94.6	Very high	90 Å²	90	39.3 Å²	39.3	34%	0.34	21%	0.212	S	C	.	.	H	α-helix	trans	-57.4	-44.2	176	-68.8	-177.7	-155.5	109	4	111.3	E35 L39 A408 E409 A414 I415 E416	E35-R412 IonicContact OE1-CZ 3.95Å; E35-R412 IonicContact OE1-NH2 2.72Å; E35-R412 PolarHBondContact OE1-NH2 3.14Å; L39-R412 HydrophobicContact CD1-CG 4.28Å; L39-R412 HydrophobicContact CD2-CG 3.78Å; A408-R412 WeakPolarHBondContact O-CG 3.49Å; A408-R412 PolarHBondContact O-N 2.83Å; E409-R412 PolarHBondContact O-N 3.02Å; E409-R412 IonicContact OE2-NH1 3.79Å; E409-R412 PolarHBondContact OE2-NH1 2.87Å; R412-A414 VanDerWaalsContact C-N 3.35Å; R412-A414 PolarHBondContact O-N 3.37Å; R412-I415 WeakPolarHBondContact O-CB 3.33Å; R412-I415 PolarHBondContact O-N 3.41Å; R412-E416 PolarHBondContact O-N 3.01Å
413	T	96.8	Very high	94.3	Very high	56 Å²	56	43 Å²	43	34%	0.344	22%	0.219	S	C	.	.	H	α-helix	trans	-59.8	-43.5	175.2	-66.7	0	0	0	0	111.9	E409 H410 L411 E416 H417	E409-T413 WeakPolarHBondContact O-CB 3.47Å; E409-T413 PolarHBondContact O-N 3.4Å; E409-T413 PolarHBondContact O-OG1 3.46Å; H410-T413 PolarHBondContact O-N 2.89Å; L411-T413 VanDerWaalsContact C-N 3.28Å; L411-T413 PolarHBondContact O-N 3.25Å; T413-E416 PolarHBondContact O-N 3.28Å; T413-H417 WeakPolarHBondContact CG2-CE1 3.39Å; T413-H417 PolarHBondContact O-CE1 3.36Å; T413-H417 VanDerWaalsContact O-CG 3.32Å; T413-H417 PolarHBondContact O-N 2.83Å; T413-H417 PolarHBondContact O-ND1 3.34Å
414	A	96.1	Very high	93.8	Very high	6 Å²	6	46.5 Å²	46.5	5%	0.05	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-42.5	176	0	0	0	0	0	112.2	F43 A315 I316 H410 L411 R412 E416 H417 V418	F43-A414 HydrophobicContact CD2-CB 4.19Å; F43-A414 HydrophobicContact CE2-CB 4.19Å; A315-A414 HydrophobicContact CB-CB 4.32Å; I316-A414 HydrophobicContact CG1-CB 4.15Å; H410-A414 WeakPolarHBondContact O-CB 3.44Å; H410-A414 PolarHBondContact O-N 3.16Å; L411-A414 WeakPolarHBondContact O-CB 3.35Å; L411-A414 PolarHBondContact O-N 3.12Å; L411-A414 VanDerWaalsContact O-N 3.1Å; R412-A414 VanDerWaalsContact C-N 3.35Å; R412-A414 PolarHBondContact O-N 3.37Å; A414-E416 PolarHBondContact O-N 2.96Å; A414-H417 PolarHBondContact O-N 2.64Å; A414-V418 PolarHBondContact O-N 3.1Å; A414-V418 VanDerWaalsContact O-N 3.12Å
415	I	96.8	Very high	93.2	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-47.6	176.2	-69	163.5	0	0	0	111	L39 E42 F43 L411 R412 H417 V418 K419	L39-I415 HydrophobicContact CB-CD1 4.32Å; L39-I415 HydrophobicContact CD2-CD1 3.91Å; L39-I415 WeakPolarHBondContact O-CD1 3.34Å; E42-I415 HydrophobicContact CB-CD1 4.14Å; E42-I415 HydrophobicContact CG-CD1 4.13Å; E42-I415 HydrophobicContact CG-CG2 4.21Å; E42-I415 WeakPolarHBondContact OE1-CG2 3.26Å; F43-I415 HydrophobicContact CB-CD1 4.38Å; F43-I415 HydrophobicContact CB-CG1 3.73Å; F43-I415 HydrophobicContact CD2-CG1 4.27Å; L411-I415 VanDerWaalsContact O-CG1 3.3Å; L411-I415 WeakPolarHBondContact O-CG1 3.35Å; L411-I415 PolarHBondContact O-N 3.14Å; R412-I415 WeakPolarHBondContact O-CB 3.33Å; R412-I415 PolarHBondContact O-N 3.41Å; I415-H417 VanDerWaalsContact C-N 3.26Å; I415-H417 PolarHBondContact O-N 2.61Å; I415-V418 PolarHBondContact O-N 2.78Å; I415-K419 HydrophobicContact CG2-CD 3.95Å; I415-K419 HydrophobicContact CG2-CG 4.37Å; I415-K419 WeakPolarHBondContact O-CG 3.45Å; I415-K419 PolarHBondContact O-N 2.95Å
416	E	95.4	Very high	92.5	Very high	94 Å²	94	47.6 Å²	47.6	44%	0.439	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-34.3	-179.6	-71.8	-51.1	122.4	0	0	112.7	R412 T413 A414 K419 A420	R412-E416 PolarHBondContact O-N 3.01Å; T413-E416 PolarHBondContact O-N 3.28Å; A414-E416 PolarHBondContact O-N 2.96Å; E416-K419 IonicContact OE1-NZ 3.25Å; E416-K419 PolarHBondContact OE1-NZ 3.42Å; E416-K419 VanDerWaalsContact OE1-NZ 3.14Å; E416-A420 WeakPolarHBondContact O-CB 3.45Å; E416-A420 PolarHBondContact O-N 3.25Å
417	H	91	Very high	91.9	Very high	73 Å²	73	48.9 Å²	48.9	34%	0.338	24%	0.241	S	C	.	.	H	α-helix	trans	-67.3	-44.2	174.1	-62.8	143	0	0	0	112.8	K319 T413 A414 I415 K419 A420 A421	K319-H417 VanDerWaalsContact CD-CE1 3.43Å; K319-H417 WeakPolarHBondContact CD-CE1 3.28Å; K319-H417 WeakPolarHBondContact CD-ND1 3.22Å; K319-H417 WeakPolarHBondContact CE-CE1 3.45Å; K319-H417 PolarHBondContact NZ-CD2 3.44Å; K319-H417 PolarHBondContact NZ-CE1 3.25Å; K319-H417 PolarHBondContact NZ-ND1 2.96Å; K319-H417 VanDerWaalsContact NZ-ND1 3.19Å; K319-H417 PolarHBondContact NZ-NE2 3.16Å; T413-H417 WeakPolarHBondContact CG2-CE1 3.39Å; T413-H417 PolarHBondContact O-CE1 3.36Å; T413-H417 VanDerWaalsContact O-CG 3.32Å; T413-H417 PolarHBondContact O-N 2.83Å; T413-H417 PolarHBondContact O-ND1 3.34Å; A414-H417 PolarHBondContact O-N 2.64Å; I415-H417 VanDerWaalsContact C-N 3.26Å; I415-H417 PolarHBondContact O-N 2.61Å; H417-K419 VanDerWaalsContact C-N 3.34Å; H417-A420 PolarHBondContact O-N 3.08Å; H417-A421 PolarHBondContact O-N 3.02Å
418	V	90.1	Very high	91	Very high	17 Å²	17	52 Å²	52	10%	0.103	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-42.2	177.4	177.4	0	0	0	0	110.4	F43 H46 D47 A414 I415 A420 A421 N422	F43-V418 HydrophobicContact CD2-CG2 4.2Å; F43-V418 HydrophobicContact CE2-CG2 3.56Å; F43-V418 HydrophobicContact CZ-CG2 4.27Å; H46-V418 VanDerWaalsContact C-CG1 3.45Å; H46-V418 HydrophobicContact CB-CB 4.45Å; H46-V418 HydrophobicContact CB-CG1 3.77Å; H46-V418 VanDerWaalsContact O-CG1 3.29Å; H46-V418 WeakPolarHBondContact O-CG1 3.36Å; D47-V418 HydrophobicContact CB-CG1 4.23Å; A414-V418 PolarHBondContact O-N 3.1Å; A414-V418 VanDerWaalsContact O-N 3.12Å; I415-V418 PolarHBondContact O-N 2.78Å; V418-A420 VanDerWaalsContact C-N 3.31Å; V418-A420 PolarHBondContact O-N 3.1Å; V418-A421 PolarHBondContact O-N 2.72Å; V418-N422 PolarHBondContact O-N 3.27Å
419	K	92.1	Very high	90	Very high	41 Å²	41	53.7 Å²	53.7	18%	0.178	27%	0.265	C	S	.	.	H	α-helix	trans	-58.1	-42.8	172.9	-72.8	174.5	-177.1	163.8	0	111.8	E42 H46 I415 E416 H417 N422 R423	E42-K419 WeakPolarHBondContact OE1-CE 3.41Å; E42-K419 IonicContact OE1-NZ 2.91Å; E42-K419 PolarHBondContact OE1-NZ 3.22Å; H46-K419 WeakPolarHBondContact NE2-CE 3.27Å; I415-K419 HydrophobicContact CG2-CD 3.95Å; I415-K419 HydrophobicContact CG2-CG 4.37Å; I415-K419 WeakPolarHBondContact O-CG 3.45Å; I415-K419 PolarHBondContact O-N 2.95Å; E416-K419 IonicContact OE1-NZ 3.25Å; E416-K419 PolarHBondContact OE1-NZ 3.42Å; E416-K419 VanDerWaalsContact OE1-NZ 3.14Å; H417-K419 VanDerWaalsContact C-N 3.34Å; K419-N422 PolarHBondContact O-N 2.93Å; K419-R423 WeakPolarHBondContact O-CG 3.37Å; K419-R423 PolarHBondContact O-N 3.36Å; K419-R423 VanDerWaalsContact O-N 3.08Å
420	A	89.3	Confident	88.9	Confident	32 Å²	32	58.3 Å²	58.3	26%	0.264	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-43.2	177.2	0	0	0	0	0	112.6	E416 H417 V418 R423 L424	E416-A420 WeakPolarHBondContact O-CB 3.45Å; E416-A420 PolarHBondContact O-N 3.25Å; H417-A420 PolarHBondContact O-N 3.08Å; V418-A420 VanDerWaalsContact C-N 3.31Å; V418-A420 PolarHBondContact O-N 3.1Å; A420-R423 PolarHBondContact O-N 3.14Å; A420-L424 PolarHBondContact O-N 3.36Å
421	A	85.6	Confident	87.5	Confident	22 Å²	22	64.6 Å²	64.6	18%	0.182	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-45	176.4	0	0	0	0	0	111.8	H417 V418 R423 L424 T425	H417-A421 PolarHBondContact O-N 3.02Å; V418-A421 PolarHBondContact O-N 2.72Å; A421-R423 VanDerWaalsContact C-N 3.33Å; A421-R423 PolarHBondContact O-N 2.88Å; A421-L424 PolarHBondContact O-N 3.47Å; A421-T425 PolarHBondContact O-N 2.93Å; A421-T425 VanDerWaalsContact O-N 3.1Å; A421-T425 PolarHBondContact O-OG1 3.32Å
422	N	87.4	Confident	85.5	Confident	46 Å²	46	66.7 Å²	66.7	25%	0.246	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-37	178.1	-70.1	-13.8	0	0	0	112.6	H46 V418 K419 T425 L426	H46-N422 PolarHBondContact O-ND2 3.28Å; V418-N422 PolarHBondContact O-N 3.27Å; K419-N422 PolarHBondContact O-N 2.93Å; N422-T425 PolarHBondContact O-N 3.35Å; N422-L426 WeakPolarHBondContact O-CG 3.46Å; N422-L426 PolarHBondContact O-N 3.05Å; N422-L426 VanDerWaalsContact O-N 3.17Å
423	R	87.9	Confident	83.3	Confident	128 Å²	128	66.1 Å²	66.1	48%	0.483	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-43.8	174.2	-73.7	-172.7	-61.3	-102.5	4.5	111.9	K419 A420 A421 L426 E427	K419-R423 WeakPolarHBondContact O-CG 3.37Å; K419-R423 PolarHBondContact O-N 3.36Å; K419-R423 VanDerWaalsContact O-N 3.08Å; A420-R423 PolarHBondContact O-N 3.14Å; A421-R423 VanDerWaalsContact C-N 3.33Å; A421-R423 PolarHBondContact O-N 2.88Å; R423-L426 PolarHBondContact O-N 3.43Å; R423-E427 WeakPolarHBondContact O-CG 3.32Å; R423-E427 PolarHBondContact O-N 3.44Å
424	L	84.7	Confident	80.7	Confident	74 Å²	74	69 Å²	69	39%	0.387	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-42.1	178.2	-71.6	167	0	0	0	112.2	A420 A421 L426 E427 L428	A420-L424 PolarHBondContact O-N 3.36Å; A421-L424 PolarHBondContact O-N 3.47Å; L424-L426 PolarHBondContact O-N 3.26Å; L424-E427 PolarHBondContact O-N 2.96Å; L424-L428 PolarHBondContact O-N 3.13Å
425	T	82.4	Confident	78	Confident	17 Å²	17	74.5 Å²	74.5	10%	0.104	38%	0.383	C	S	.	.	H	α-helix	trans	-55	-51.1	173.1	-66.3	0	0	0	0	111.1	G111 D115 A421 N422 E427 L428 Q429	G111-T425 WeakPolarHBondContact CA-OG1 3.34Å; D115-T425 WeakPolarHBondContact OD1-CG2 3.47Å; A421-T425 PolarHBondContact O-N 2.93Å; A421-T425 VanDerWaalsContact O-N 3.1Å; A421-T425 PolarHBondContact O-OG1 3.32Å; N422-T425 PolarHBondContact O-N 3.35Å; T425-E427 VanDerWaalsContact C-N 3.35Å; T425-E427 PolarHBondContact O-N 3.37Å; T425-L428 PolarHBondContact O-N 3.47Å; T425-Q429 HydrophobicContact CG2-CG 4.49Å; T425-Q429 VanDerWaalsContact O-CG 3.32Å; T425-Q429 WeakPolarHBondContact O-CG 3.41Å; T425-Q429 PolarHBondContact O-N 3.38Å
426	L	83.8	Confident	75.1	Confident	93 Å²	93	78.4 Å²	78.4	49%	0.487	41%	0.41	S	S	.	.	H	α-helix	trans	-64	-38.5	-178.6	-69.6	169.7	0	0	0	112.5	N422 R423 L424 R430	N422-L426 WeakPolarHBondContact O-CG 3.46Å; N422-L426 PolarHBondContact O-N 3.05Å; N422-L426 VanDerWaalsContact O-N 3.17Å; R423-L426 PolarHBondContact O-N 3.43Å; L424-L426 PolarHBondContact O-N 3.26Å; L426-R430 WeakPolarHBondContact O-CG 3.45Å; L426-R430 PolarHBondContact O-N 3.1Å; L426-R430 VanDerWaalsContact O-N 3.09Å
427	E	84.2	Confident	72.1	Confident	100 Å²	100	81.2 Å²	81.2	47%	0.467	43%	0.427	S	S	.	.	H	α-helix	trans	-64.8	-42.9	176.6	-76.4	-179.6	-167.6	0	0	112.4	R423 L424 T425 R430 R431	R423-E427 WeakPolarHBondContact O-CG 3.32Å; R423-E427 PolarHBondContact O-N 3.44Å; L424-E427 PolarHBondContact O-N 2.96Å; T425-E427 VanDerWaalsContact C-N 3.35Å; T425-E427 PolarHBondContact O-N 3.37Å; E427-R430 PolarHBondContact O-N 3.34Å; E427-R431 WeakPolarHBondContact O-CG 3.4Å; E427-R431 PolarHBondContact O-N 2.88Å; E427-R431 VanDerWaalsContact O-N 3.08Å
428	L	78.7	Confident	69.2	Low	66 Å²	66	83.4 Å²	83.4	35%	0.346	45%	0.447	S	S	.	.	H	α-helix	trans	-69.4	-38.4	178.8	-75.9	167.1	0	0	0	112.1	G111 L424 T425 R430 R431 G432	G111-L428 WeakPolarHBondContact O-CD1 3.17Å; L424-L428 PolarHBondContact O-N 3.13Å; T425-L428 PolarHBondContact O-N 3.47Å; L428-R430 PolarHBondContact O-N 3.01Å; L428-R431 PolarHBondContact O-N 2.95Å; L428-G432 PolarHBondContact O-N 3.04Å
429	Q	76.4	Confident	66.4	Low	40 Å²	40	87.8 Å²	87.8	19%	0.187	48%	0.479	C	S	.	.	H	α-helix	trans	-58.9	-46.4	172.6	-75.1	176.8	-18.4	0	0	111.5	T425 R431 G432 S433	T425-Q429 HydrophobicContact CG2-CG 4.49Å; T425-Q429 VanDerWaalsContact O-CG 3.32Å; T425-Q429 WeakPolarHBondContact O-CG 3.41Å; T425-Q429 PolarHBondContact O-N 3.38Å; Q429-R431 PolarHBondContact O-N 3.36Å; Q429-G432 PolarHBondContact O-N 3.21Å; Q429-S433 PolarHBondContact O-N 2.87Å; Q429-S433 VanDerWaalsContact O-N 3.12Å; Q429-S433 PolarHBondContact O-OG 3.26Å; Q429-S433 VanDerWaalsContact O-OG 3.12Å
430	R	74.3	Confident	63.7	Low	186 Å²	186	91.7 Å²	91.7	70%	0.702	51%	0.509	S	S	*	.	H	α-helix	trans	-60.9	-41.8	176.6	-74	175.8	-178.3	-176.4	1.4	112.7	L426 E427 L428 S433 T434	L426-R430 WeakPolarHBondContact O-CG 3.45Å; L426-R430 PolarHBondContact O-N 3.1Å; L426-R430 VanDerWaalsContact O-N 3.09Å; E427-R430 PolarHBondContact O-N 3.34Å; L428-R430 PolarHBondContact O-N 3.01Å; R430-S433 PolarHBondContact O-N 3.28Å; R430-T434 PolarHBondContact O-N 3.29Å
431	R	67.7	Low	61.1	Low	173 Å²	173	99.6 Å²	99.6	65%	0.653	54%	0.54	S	S	*	.	H	α-helix	trans	-64.8	-41.4	177.5	-72.2	-179.1	-176.5	-162	3.6	111.7	E427 L428 Q429 S433 T434	E427-R431 WeakPolarHBondContact O-CG 3.4Å; E427-R431 PolarHBondContact O-N 2.88Å; E427-R431 VanDerWaalsContact O-N 3.08Å; L428-R431 PolarHBondContact O-N 2.95Å; Q429-R431 PolarHBondContact O-N 3.36Å; R431-S433 VanDerWaalsContact C-N 3.31Å; R431-S433 PolarHBondContact O-N 3.37Å; R431-T434 PolarHBondContact O-N 3.39Å; R431-T434 PolarHBondContact O-OG1 2.73Å
432	G	56.9	Low	58.8	Low	44 Å²	44	104.1 Å²	104.1	45%	0.454	57%	0.571	S	S	.	*	H	α-helix	trans	-61.3	-35.8	175.8	0	0	0	0	0	113.7	L428 Q429 T434 T435	L428-G432 PolarHBondContact O-N 3.04Å; Q429-G432 PolarHBondContact O-N 3.21Å; G432-T434 VanDerWaalsContact C-N 3.34Å; G432-T434 PolarHBondContact O-N 3.48Å; G432-T435 PolarHBondContact O-N 3.35Å; G432-T435 PolarHBondContact O-OG1 3.3Å
433	S	52.4	Low	56.2	Low	78 Å²	78	109.6 Å²	109.6	55%	0.545	60%	0.6	S	S	.	*	H	α-helix	trans	-71.3	-22.2	176.4	-53.7	0	0	0	0	114.3	Q429 R430 R431 T435 S436	Q429-S433 PolarHBondContact O-N 2.87Å; Q429-S433 VanDerWaalsContact O-N 3.12Å; Q429-S433 PolarHBondContact O-OG 3.26Å; Q429-S433 VanDerWaalsContact O-OG 3.12Å; R430-S433 PolarHBondContact O-N 3.28Å; R431-S433 VanDerWaalsContact C-N 3.31Å; R431-S433 PolarHBondContact O-N 3.37Å; S433-T435 VanDerWaalsContact C-N 3.31Å; S433-S436 PolarHBondContact O-OG 3.45Å
434	T	41.8	Very low	54	Low	118 Å²	118	107.5 Å²	107.5	72%	0.724	62%	0.618	S	S	*	*	H	α-helix	trans	-78.2	-14.2	177.8	57.8	0	0	0	0	114.1	R430 R431 G432	R430-T434 PolarHBondContact O-N 3.29Å; R431-T434 PolarHBondContact O-N 3.39Å; R431-T434 PolarHBondContact O-OG1 2.73Å; G432-T434 VanDerWaalsContact C-N 3.34Å; G432-T434 PolarHBondContact O-N 3.48Å
435	T	38.1	Very low	51.6	Low	121 Å²	121	107.3 Å²	107.3	74%	0.742	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-1	176.3	37.4	0	0	0	0	114.3	G432 S433	G432-T435 PolarHBondContact O-N 3.35Å; G432-T435 PolarHBondContact O-OG1 3.3Å; S433-T435 VanDerWaalsContact C-N 3.31Å
436	S	36.8	Very low	49.5	Very low	84 Å²	84	111.6 Å²	111.6	59%	0.587	66%	0.656	S	S	*	*	S	Bend	trans	-85.9	119.2	168	41.1	0	0	0	0	110.9	S433	S433-S436 PolarHBondContact O-OG 3.45Å
437	I	32.3	Very low	47.6	Very low	152 Å²	152	112.3 Å²	112.3	78%	0.779	67%	0.666	S	S	*	*			trans	-39.8	143.7	171.3	-62.9	166.6	0	0	0	111.2	S439	I437-S439 PolarHBondContact O-N 3.2Å
438	P	31.1	Very low	45.5	Very low	119 Å²	119	114 Å²	114	77%	0.773	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-60	128.9	-173.8	-13.7	26.6	0	0	0	110.9
439	S	31.4	Very low	43.8	Very low	110 Å²	110	117.8 Å²	117.8	77%	0.769	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-55	139.2	166.5	-55.4	0	0	0	0	109.6	I437 Q441	I437-S439 PolarHBondContact O-N 3.2Å; S439-Q441 PolarHBondContact O-N 2.97Å
440	P	34.3	Very low	42.2	Very low	123 Å²	123	119.9 Å²	119.9	80%	0.799	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-62	138.7	171.3	11.2	-4.3	0	0	0	108.5	S442	P440-S442 PolarHBondContact O-N 3.39Å; P440-S442 VanDerWaalsContact O-N 3.17Å
441	Q	35.1	Very low	41	Very low	197 Å²	197	116.4 Å²	116.4	92%	0.921	71%	0.707	S	S	*	*			trans	-40.5	119.8	179	-75.2	169.5	-36.1	0	0	111.2	S439 D443	S439-Q441 PolarHBondContact O-N 2.97Å; Q441-D443 PolarHBondContact O-N 3.3Å
442	S	36.8	Very low	40.2	Very low	118 Å²	118	112.3 Å²	112.3	83%	0.825	70%	0.698	S	S	*	*			trans	-71.3	105.5	170.5	51.3	0	0	0	0	108.7	P440	P440-S442 PolarHBondContact O-N 3.39Å; P440-S442 VanDerWaalsContact O-N 3.17Å
443	D	34	Very low	40	Very low	160 Å²	160	118.9 Å²	118.9	86%	0.856	71%	0.709	S	S	*	*			trans	-61.5	142.6	159.8	-119.7	-19	0	0	0	109.2	Q441 G445	Q441-D443 PolarHBondContact O-N 3.3Å; D443-G445 PolarHBondContact O-N 3.1Å
444	G	41.1	Very low	39.8	Very low	85 Å²	85	116.5 Å²	116.5	88%	0.876	69%	0.69	S	S	*	*			trans	-50.6	117.6	-167.4	0	0	0	0	0	114.3
445	G	34.2	Very low	40.2	Very low	69 Å²	69	112.6 Å²	112.6	71%	0.711	67%	0.67	S	S	*	*			trans	-140.8	137.1	173.4	0	0	0	0	0	111	D443	D443-G445 PolarHBondContact O-N 3.1Å
446	D	39	Very low	40.9	Very low	108 Å²	108	112.3 Å²	112.3	58%	0.578	66%	0.658	S	S	*	*			trans	-48.9	126.7	-174.3	-162.4	-7.1	0	0	0	114	N448	D446-N448 PolarHBondContact O-N 3.06Å
447	P	42.4	Very low	41.6	Very low	108 Å²	108	113.5 Å²	113.5	70%	0.701	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-5.8	-172.1	22.4	-32.7	0	0	0	116.4	P450	P447-P450 WeakPolarHBondContact O-CD 3.11Å
448	N	40.2	Very low	42.2	Very low	136 Å²	136	107.4 Å²	107.4	73%	0.727	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-0.5	-176.9	-81.7	-13.6	0	0	0	115.8	D446	D446-N448 PolarHBondContact O-N 3.06Å
449	Q	43.3	Very low	43.1	Very low	144 Å²	144	108.1 Å²	108.1	67%	0.673	62%	0.615	S	S	*	*	H	α-helix	trans	-86.1	-26.2	-179.3	-76.1	-173.3	7.4	0	0	118.6	R453	Q449-R453 PolarHBondContact O-N 3.4Å
450	P	43.6	Very low	44.1	Very low	85 Å²	85	107.9 Å²	107.9	55%	0.552	60%	0.601	S	S	*	*	H	α-helix	trans	-70	-36.7	-174.3	22.5	-27	0	0	0	113.2	P447 R453 L454	P447-P450 WeakPolarHBondContact O-CD 3.11Å; P450-R453 PolarHBondContact O-N 2.83Å; P450-L454 PolarHBondContact O-N 3.18Å; P450-L454 VanDerWaalsContact O-N 3.13Å
451	D	48.1	Very low	44.9	Very low	112 Å²	112	104.1 Å²	104.1	60%	0.599	57%	0.574	S	S	*	*	H	α-helix	trans	-67.8	-38.9	180	-76.7	-16.1	0	0	0	112.6	R453 L454 A455	D451-R453 VanDerWaalsContact C-N 3.29Å; D451-R453 PolarHBondContact O-N 3.38Å; D451-L454 PolarHBondContact O-N 3.37Å; D451-A455 VanDerWaalsContact O-CB 3.31Å; D451-A455 WeakPolarHBondContact O-CB 3.12Å; D451-A455 PolarHBondContact O-N 2.9Å
452	D	51.2	Low	45.4	Very low	87 Å²	87	98 Å²	98	47%	0.465	55%	0.551	S	S	.	*	H	α-helix	trans	-66.9	-32	178.4	-171.3	45.7	0	0	0	111.8	K456	D452-K456 VanDerWaalsContact O-CB 3.31Å; D452-K456 WeakPolarHBondContact O-CB 3.32Å; D452-K456 WeakPolarHBondContact O-CD 3.39Å; D452-K456 WeakPolarHBondContact O-CG 3.41Å; D452-K456 PolarHBondContact O-N 2.61Å; D452-K456 IonicContact OD1-NZ 2.64Å; D452-K456 WeakPolarHBondContact OD2-CE 3.43Å; D452-K456 IonicContact OD2-NZ 3.9Å; D452-K456 PolarHBondContact OD2-NZ 3.29Å
453	R	53.4	Low	45.9	Very low	183 Å²	183	97.4 Å²	97.4	69%	0.691	54%	0.542	S	S	*	.	H	α-helix	trans	-74.6	-35.7	175.6	-164.8	178.3	-176.6	-176.6	2.3	112.3	Q449 P450 D451 K457	Q449-R453 PolarHBondContact O-N 3.4Å; P450-R453 PolarHBondContact O-N 2.83Å; D451-R453 VanDerWaalsContact C-N 3.29Å; D451-R453 PolarHBondContact O-N 3.38Å; R453-K457 WeakPolarHBondContact O-CG 3.33Å; R453-K457 PolarHBondContact O-N 2.88Å; R453-K457 VanDerWaalsContact O-N 3.11Å
454	L	46.7	Very low	46.3	Very low	28 Å²	28	95.4 Å²	95.4	15%	0.147	53%	0.527	C	S	.	.	H	α-helix	trans	-68.7	-47	175.1	-177.4	63	0	0	0	110.7	D53 L57 P450 D451 K456 K457 L458	D53-L454 HydrophobicContact CB-CD2 3.78Å; D53-L454 HydrophobicContact CB-CG 4.39Å; L57-L454 HydrophobicContact CD2-CD1 3.56Å; P450-L454 PolarHBondContact O-N 3.18Å; P450-L454 VanDerWaalsContact O-N 3.13Å; D451-L454 PolarHBondContact O-N 3.37Å; L454-K456 PolarHBondContact O-N 2.57Å; L454-K457 WeakPolarHBondContact O-CB 3.3Å; L454-K457 PolarHBondContact O-N 3.42Å; L454-K457 VanDerWaalsContact O-N 3.16Å; L454-L458 HydrophobicContact CG-CD1 4.5Å; L454-L458 PolarHBondContact O-N 2.78Å
455	A	50.6	Low	46.2	Very low	35 Å²	35	95.1 Å²	95.1	29%	0.289	51%	0.506	S	S	.	.	H	α-helix	trans	-59	-43.5	175.1	0	0	0	0	0	112.1	D451 K457 L458 Q459	D451-A455 VanDerWaalsContact O-CB 3.31Å; D451-A455 WeakPolarHBondContact O-CB 3.12Å; D451-A455 PolarHBondContact O-N 2.9Å; A455-K457 PolarHBondContact O-N 3.26Å; A455-L458 PolarHBondContact O-N 3.27Å; A455-Q459 WeakPolarHBondContact O-CG 3.3Å; A455-Q459 PolarHBondContact O-N 2.81Å
456	K	52.8	Low	46.4	Very low	115 Å²	115	96.6 Å²	96.6	50%	0.5	50%	0.503	S	S	.	.	H	α-helix	trans	-63.3	-38	174.5	-78.5	169.6	-179.2	162.1	0	113.1	D452 L454 Q459 Q460	D452-K456 VanDerWaalsContact O-CB 3.31Å; D452-K456 WeakPolarHBondContact O-CB 3.32Å; D452-K456 WeakPolarHBondContact O-CD 3.39Å; D452-K456 WeakPolarHBondContact O-CG 3.41Å; D452-K456 PolarHBondContact O-N 2.61Å; D452-K456 IonicContact OD1-NZ 2.64Å; D452-K456 WeakPolarHBondContact OD2-CE 3.43Å; D452-K456 IonicContact OD2-NZ 3.9Å; D452-K456 PolarHBondContact OD2-NZ 3.29Å; L454-K456 PolarHBondContact O-N 2.57Å; K456-Q459 PolarHBondContact O-N 3.45Å; K456-Q460 WeakPolarHBondContact O-CB 3.49Å; K456-Q460 PolarHBondContact O-N 2.75Å
457	K	52.6	Low	46.3	Very low	109 Å²	109	93.7 Å²	93.7	47%	0.474	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-42.4	173.7	-83.6	-179.3	172.9	-175.7	0	112	R453 L454 A455 Q459 Q460 L461	R453-K457 WeakPolarHBondContact O-CG 3.33Å; R453-K457 PolarHBondContact O-N 2.88Å; R453-K457 VanDerWaalsContact O-N 3.11Å; L454-K457 WeakPolarHBondContact O-CB 3.3Å; L454-K457 PolarHBondContact O-N 3.42Å; L454-K457 VanDerWaalsContact O-N 3.16Å; A455-K457 PolarHBondContact O-N 3.26Å; K457-Q459 VanDerWaalsContact C-N 3.35Å; K457-Q460 PolarHBondContact O-N 3.41Å; K457-L461 VanDerWaalsContact O-CG 3.3Å; K457-L461 WeakPolarHBondContact O-CG 3.46Å; K457-L461 PolarHBondContact O-N 3.49Å
458	L	44.7	Very low	46	Very low	25 Å²	25	97.5 Å²	97.5	13%	0.131	50%	0.504	C	S	.	.	H	α-helix	trans	-61.6	-43.7	175	-72.9	169.8	0	0	0	111	D53 L57 L454 A455 L461 V462	D53-L458 HydrophobicContact CB-CD1 3.95Å; L57-L458 HydrophobicContact CB-CD2 4.2Å; L57-L458 HydrophobicContact CD1-CD2 4.17Å; L454-L458 HydrophobicContact CG-CD1 4.5Å; L454-L458 PolarHBondContact O-N 2.78Å; A455-L458 PolarHBondContact O-N 3.27Å; L458-L461 PolarHBondContact O-N 3.26Å; L458-V462 VanDerWaalsContact O-CG2 3.25Å; L458-V462 WeakPolarHBondContact O-CG2 3.33Å; L458-V462 PolarHBondContact O-N 3.31Å; L458-V462 VanDerWaalsContact O-N 3.11Å
459	Q	50.6	Low	45.9	Very low	133 Å²	133	93.9 Å²	93.9	62%	0.621	49%	0.489	S	S	*	.	H	α-helix	trans	-61.9	-43.3	174.5	-74.9	177.3	-3.2	0	0	112.7	A455 K456 K457 V462 T463	A455-Q459 WeakPolarHBondContact O-CG 3.3Å; A455-Q459 PolarHBondContact O-N 2.81Å; K456-Q459 PolarHBondContact O-N 3.45Å; K457-Q459 VanDerWaalsContact C-N 3.35Å; Q459-V462 WeakPolarHBondContact O-CB 3.43Å; Q459-V462 PolarHBondContact O-N 3.01Å; Q459-T463 PolarHBondContact O-N 3.4Å; Q459-T463 VanDerWaalsContact O-N 3.12Å; Q459-T463 PolarHBondContact O-OG1 3.48Å
460	Q	52.1	Low	45.7	Very low	105 Å²	105	89.9 Å²	89.9	49%	0.491	47%	0.471	S	S	.	.	H	α-helix	trans	-62.6	-44.1	178	-175.1	175.6	2.3	0	0	112	K456 K457 V462 T463 E464	K456-Q460 WeakPolarHBondContact O-CB 3.49Å; K456-Q460 PolarHBondContact O-N 2.75Å; K457-Q460 PolarHBondContact O-N 3.41Å; Q460-V462 VanDerWaalsContact C-N 3.29Å; Q460-V462 PolarHBondContact O-N 3.34Å; Q460-T463 WeakPolarHBondContact CA-OG1 3.44Å; Q460-T463 PolarHBondContact O-N 2.71Å; Q460-T463 VanDerWaalsContact O-N 3.13Å; Q460-T463 PolarHBondContact O-OG1 3.18Å; Q460-E464 HydrophobicContact CG-CG 4.39Å; Q460-E464 VanDerWaalsContact CG-OE1 3.29Å; Q460-E464 WeakPolarHBondContact CG-OE1 3.42Å; Q460-E464 PolarHBondContact NE2-OE1 2.87Å; Q460-E464 WeakPolarHBondContact O-CG 3.32Å; Q460-E464 PolarHBondContact O-N 3.35Å
461	L	50.8	Low	45.4	Very low	44 Å²	44	88.9 Å²	88.9	23%	0.23	47%	0.467	C	S	.	.	H	α-helix	trans	-62.3	-34.9	176.5	-72.7	169.1	0	0	0	112.8	L57 K457 L458	L57-L461 HydrophobicContact CD1-CD1 3.68Å; K457-L461 VanDerWaalsContact O-CG 3.3Å; K457-L461 WeakPolarHBondContact O-CG 3.46Å; K457-L461 PolarHBondContact O-N 3.49Å; L458-L461 PolarHBondContact O-N 3.26Å
462	V	45.8	Very low	45	Very low	70 Å²	70	84.3 Å²	84.3	42%	0.424	44%	0.443	S	S	.	.	H	α-helix	trans	-66.9	-37.6	174.6	169.6	0	0	0	0	111.2	L458 Q459 Q460 F484	L458-V462 VanDerWaalsContact O-CG2 3.25Å; L458-V462 WeakPolarHBondContact O-CG2 3.33Å; L458-V462 PolarHBondContact O-N 3.31Å; L458-V462 VanDerWaalsContact O-N 3.11Å; Q459-V462 WeakPolarHBondContact O-CB 3.43Å; Q459-V462 PolarHBondContact O-N 3.01Å; Q460-V462 VanDerWaalsContact C-N 3.29Å; Q460-V462 PolarHBondContact O-N 3.34Å; V462-F484 HydrophobicContact CG2-CD1 4.07Å; V462-F484 HydrophobicContact CG2-CE1 4.15Å
463	T	45.9	Very low	44.7	Very low	105 Å²	105	81.8 Å²	81.8	64%	0.644	43%	0.428	S	S	*	.	H	α-helix	trans	-77.9	-26.8	179.6	45.2	0	0	0	0	114.9	Q459 Q460	Q459-T463 PolarHBondContact O-N 3.4Å; Q459-T463 VanDerWaalsContact O-N 3.12Å; Q459-T463 PolarHBondContact O-OG1 3.48Å; Q460-T463 WeakPolarHBondContact CA-OG1 3.44Å; Q460-T463 PolarHBondContact O-N 2.71Å; Q460-T463 VanDerWaalsContact O-N 3.13Å; Q460-T463 PolarHBondContact O-OG1 3.18Å
464	E	44	Very low	44.2	Very low	118 Å²	118	73.2 Å²	73.2	55%	0.551	40%	0.395	S	S	*	.	H	α-helix	trans	-84.7	-9.5	-175.2	-73.3	176.3	-178.7	0	0	114.2	Q460 P466	Q460-E464 HydrophobicContact CG-CG 4.39Å; Q460-E464 VanDerWaalsContact CG-OE1 3.29Å; Q460-E464 WeakPolarHBondContact CG-OE1 3.42Å; Q460-E464 PolarHBondContact NE2-OE1 2.87Å; Q460-E464 WeakPolarHBondContact O-CG 3.32Å; Q460-E464 PolarHBondContact O-N 3.35Å; E464-P466 VanDerWaalsContact O-CD 3.27Å; E464-P466 WeakPolarHBondContact O-CD 3.2Å
465	N	38.9	Very low	44.1	Very low	78 Å²	78	73 Å²	73	42%	0.417	40%	0.395	S	S	.	.			trans	-117.6	69	179.9	-85.3	-60.2	0	0	0	113.6	G467 I486	N465-G467 VanDerWaalsContact C-N 3.28Å; N465-G467 PolarHBondContact O-N 3.13Å; N465-I486 WeakPolarHBondContact O-CD1 3.37Å
466	P	36.9	Very low	43.8	Very low	101 Å²	101	72.3 Å²	72.3	66%	0.656	39%	0.387	S	S	*	.			trans	-80.4	30.2	-175	32.2	-35.4	0	0	0	115.9	E464	E464-P466 VanDerWaalsContact O-CD 3.27Å; E464-P466 WeakPolarHBondContact O-CD 3.2Å
467	G	37	Very low	43.3	Very low	46 Å²	46	69.1 Å²	69.1	47%	0.474	38%	0.376	S	S	.	.	S	Bend	trans	169.4	153.4	168.4	0	0	0	0	0	119.8	N465	N465-G467 VanDerWaalsContact C-N 3.28Å; N465-G467 PolarHBondContact O-N 3.13Å
468	K	37	Very low	42.9	Very low	189 Å²	189	66 Å²	66	82%	0.822	36%	0.364	S	S	*	.			trans	89.2	1.6	162.4	-55.7	-172.1	-179.3	-178.4	0	120.7
469	S	36.9	Very low	42.9	Very low	60 Å²	60	66.2 Å²	66.2	42%	0.42	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-101.9	123.8	169.4	-79.2	0	0	0	0	111.7	F67	F67-S469 VanDerWaalsContact CE2-OG 3.27Å; F67-S469 WeakPolarHBondContact CE2-OG 3.43Å
470	I	40.1	Very low	42.4	Very low	59 Å²	59	65.3 Å²	65.3	30%	0.303	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-56	138.2	173.5	-67.9	173.5	0	0	0	109.2	L87 V472	L87-I470 HydrophobicContact CD1-CG2 3.91Å; I470-V472 PolarHBondContact O-N 3.49Å
471	S	38.1	Very low	41.7	Very low	65 Å²	65	68.8 Å²	68.8	46%	0.455	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-48.6	124.7	-170.8	-33.7	0	0	0	0	113.2
472	V	38.6	Very low	41.1	Very low	15 Å²	15	69 Å²	69	9%	0.091	38%	0.383	C	S	.	.			trans	-91.7	105	169.1	-174.5	0	0	0	0	107.8	K63 L88 I470 I474	K63-V472 HydrophobicContact CD-CG2 4.05Å; L88-V472 HydrophobicContact CD2-CG1 4.33Å; L88-V472 HydrophobicContact CD2-CG2 3.78Å; I470-V472 PolarHBondContact O-N 3.49Å; V472-I474 PolarHBondContact O-N 2.9Å
473	F	44.8	Very low	40.8	Very low	34 Å²	34	69 Å²	69	15%	0.149	38%	0.378	C	S	.	.			trans	-74	105.6	165.3	-65.8	-82.8	0	0	0	107.3	N475 V479	F473-N475 VanDerWaalsContact C-N 3.3Å; F473-V479 HydrophobicContact CD1-CB 4.15Å; F473-V479 HydrophobicContact CD1-CG1 4.17Å; F473-V479 HydrophobicContact CE1-CB 4.16Å; F473-V479 WeakPolarHBondContact CE1-O 3.45Å; F473-V479 HydrophobicContact CG-CG1 4.18Å
474	I	42.9	Very low	40.5	Very low	3 Å²	3	66.1 Å²	66.1	2%	0.015	36%	0.357	C	S	.	.	S	Bend	trans	-61.9	-44.6	-179.6	-66.9	176.8	0	0	0	108.8	Y51 A56 I59 V472 P476 H483 F484	Y51-I474 HydrophobicContact CD1-CG2 3.07Å; Y51-I474 HydrophobicContact CD2-CG2 4.18Å; Y51-I474 HydrophobicContact CE1-CG2 3.32Å; Y51-I474 VanDerWaalsContact CE1-O 3.29Å; Y51-I474 WeakPolarHBondContact CE1-O 3.35Å; Y51-I474 HydrophobicContact CE2-CG2 4.43Å; Y51-I474 WeakPolarHBondContact CE2-O 3.48Å; Y51-I474 HydrophobicContact CG-CG2 3.52Å; Y51-I474 PolarHBondContact OH-O 3.08Å; A56-I474 HydrophobicContact CB-CD1 4.03Å; I59-I474 HydrophobicContact CD1-CG2 3.88Å; V472-I474 PolarHBondContact O-N 2.9Å; I474-P476 WeakPolarHBondContact O-CD 3.29Å; I474-H483 HydrophobicContact CB-CB 3.58Å; I474-H483 HydrophobicContact CD1-CB 3.33Å; I474-H483 HydrophobicContact CG1-CB 3.5Å; I474-F484 HydrophobicContact CD1-CD2 3.67Å; I474-F484 HydrophobicContact CD1-CE2 3.25Å; I474-F484 HydrophobicContact CD1-CZ 4.11Å; I474-F484 HydrophobicContact CG1-CD2 4.08Å; I474-F484 HydrophobicContact CG1-CE2 4Å
475	N	44.9	Very low	40	Very low	24 Å²	24	67.4 Å²	67.4	13%	0.128	36%	0.356	C	S	.	.	S	Bend	trans	-91.1	114	170.7	-170	-10.1	0	0	0	111.7	Y51 F473 D477 D478	Y51-N475 HydrophobicContact CD2-CB 4.06Å; Y51-N475 HydrophobicContact CE2-CB 3.91Å; F473-N475 VanDerWaalsContact C-N 3.3Å; N475-D477 PolarHBondContact O-N 3.08Å; N475-D477 PolarHBondContact OD1-N 2.86Å; N475-D478 HydrophobicContact CB-CB 4.04Å; N475-D478 CarbonylContact O-C 3.59Å; N475-D478 PolarHBondContact O-N 3.44Å; N475-D478 VanDerWaalsContact O-O 3.1Å; N475-D478 PolarHBondContact OD1-N 3.19Å
476	P	44.4	Very low	39.7	Very low	21 Å²	21	67.3 Å²	67.3	14%	0.136	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.7	176.4	25	-30.7	0	0	0	113.5	Y51 K299 I474	Y51-P476 WeakPolarHBondContact OH-CD 3.4Å; K299-P476 WeakPolarHBondContact CE-O 3.05Å; K299-P476 PolarHBondContact NZ-O 3.01Å; I474-P476 WeakPolarHBondContact O-CD 3.29Å
477	D	42.4	Very low	39.4	Very low	48 Å²	48	69 Å²	69	26%	0.257	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-8.1	-178.9	-56	-47.3	0	0	0	112.7	Q311 N475	Q311-D477 PolarHBondContact NE2-OD1 3.26Å; Q311-D477 VanDerWaalsContact NE2-OD1 3.14Å; N475-D477 PolarHBondContact O-N 3.08Å; N475-D477 PolarHBondContact OD1-N 2.86Å
478	D	45.1	Very low	39.2	Very low	42 Å²	42	71.8 Å²	71.8	23%	0.225	36%	0.363	C	S	.	.			trans	-124.2	91.7	171	-177.1	6.4	0	0	0	110.5	N475 T480 R481	N475-D478 HydrophobicContact CB-CB 4.04Å; N475-D478 CarbonylContact O-C 3.59Å; N475-D478 PolarHBondContact O-N 3.44Å; N475-D478 VanDerWaalsContact O-O 3.1Å; N475-D478 PolarHBondContact OD1-N 3.19Å; D478-T480 VanDerWaalsContact C-N 3.34Å; D478-T480 WeakPolarHBondContact OD1-CA 3.44Å; D478-T480 WeakPolarHBondContact OD1-CB 3.09Å; D478-T480 PolarHBondContact OD1-N 2.97Å; D478-T480 PolarHBondContact OD1-OG1 3Å; D478-R481 PolarHBondContact OD1-N 3.24Å
479	V	44.7	Very low	38.5	Very low	30 Å²	30	71.7 Å²	71.7	18%	0.182	36%	0.362	C	S	.	.			trans	-90.2	-0.4	172.2	-66.8	0	0	0	0	112.5	K300 F473 R481	K300-V479 HydrophobicContact CB-CG2 4.34Å; K300-V479 HydrophobicContact CG-CB 4.3Å; K300-V479 HydrophobicContact CG-CG2 4.25Å; F473-V479 HydrophobicContact CD1-CB 4.15Å; F473-V479 HydrophobicContact CD1-CG1 4.17Å; F473-V479 HydrophobicContact CE1-CB 4.16Å; F473-V479 WeakPolarHBondContact CE1-O 3.45Å; F473-V479 HydrophobicContact CG-CG1 4.18Å; V479-R481 VanDerWaalsContact C-N 3.34Å
480	T	39.7	Very low	37.8	Very low	115 Å²	115	77.2 Å²	77.2	71%	0.706	38%	0.379	S	S	*	.	S	Bend	trans	-78	-22.8	-178.9	74.3	0	0	0	0	112.1	D478	D478-T480 VanDerWaalsContact C-N 3.34Å; D478-T480 WeakPolarHBondContact OD1-CA 3.44Å; D478-T480 WeakPolarHBondContact OD1-CB 3.09Å; D478-T480 PolarHBondContact OD1-N 2.97Å; D478-T480 PolarHBondContact OD1-OG1 3Å
481	R	37.8	Very low	37.1	Very low	177 Å²	177	87.4 Å²	87.4	67%	0.668	42%	0.422	S	S	*	.	S	Bend	trans	-119.8	113.2	175	-64.7	-177	-177.6	-172.2	2.1	110.5	D478 V479 H483	D478-R481 PolarHBondContact OD1-N 3.24Å; V479-R481 VanDerWaalsContact C-N 3.34Å; R481-H483 PolarHBondContact O-N 3Å; R481-H483 VanDerWaalsContact O-N 3.14Å; R481-H483 PolarHBondContact O-ND1 3.18Å
482	P	37.5	Very low	37	Very low	48 Å²	48	88.6 Å²	88.6	31%	0.312	42%	0.42	S	S	.	.			trans	-66.6	115.8	168.9	26.4	-29.7	0	0	0	107.7	F484 R485	P482-F484 PolarHBondContact O-N 3.3Å; P482-R485 HydrophobicContact CB-CB 4.19Å; P482-R485 HydrophobicContact CB-CG 4.5Å; P482-R485 HydrophobicContact CG-CB 4.03Å; P482-R485 HydrophobicContact CG-CG 4.12Å
483	H	39.9	Very low	37	Very low	72 Å²	72	92.4 Å²	92.4	33%	0.333	44%	0.438	S	S	.	.	S	Bend	trans	-77.2	-7.8	176.2	-65.4	62.1	0	0	0	111.6	I474 R481	I474-H483 HydrophobicContact CB-CB 3.58Å; I474-H483 HydrophobicContact CD1-CB 3.33Å; I474-H483 HydrophobicContact CG1-CB 3.5Å; R481-H483 PolarHBondContact O-N 3Å; R481-H483 VanDerWaalsContact O-N 3.14Å; R481-H483 PolarHBondContact O-ND1 3.18Å
484	F	40	Very low	36.5	Very low	43 Å²	43	95.7 Å²	95.7	19%	0.189	45%	0.454	C	S	.	.	S	Bend	trans	-143	121.4	159.1	-69.1	-73.7	0	0	0	110	H60 V462 I474 P482	H60-F484 HydrophobicContact CB-CZ 4.28Å; H60-F484 AromaticContact CD2-CE1 3.96Å; H60-F484 AromaticContact CD2-CZ 3.76Å; V462-F484 HydrophobicContact CG2-CD1 4.07Å; V462-F484 HydrophobicContact CG2-CE1 4.15Å; I474-F484 HydrophobicContact CD1-CD2 3.67Å; I474-F484 HydrophobicContact CD1-CE2 3.25Å; I474-F484 HydrophobicContact CD1-CZ 4.11Å; I474-F484 HydrophobicContact CG1-CD2 4.08Å; I474-F484 HydrophobicContact CG1-CE2 4Å; P482-F484 PolarHBondContact O-N 3.3Å
485	R	32.3	Very low	36.1	Very low	145 Å²	145	101.1 Å²	101.1	55%	0.547	48%	0.479	S	S	.	.			trans	-120.8	133.9	175.6	-157.1	-178.8	-175.1	144	2.5	109.2	P482 D488	P482-R485 HydrophobicContact CB-CB 4.19Å; P482-R485 HydrophobicContact CB-CG 4.5Å; P482-R485 HydrophobicContact CG-CB 4.03Å; P482-R485 HydrophobicContact CG-CG 4.12Å; R485-D488 IonicContact CZ-OD1 3.69Å; R485-D488 IonicContact CZ-OD2 2.86Å; R485-D488 IonicContact NE-OD1 2.78Å; R485-D488 PolarHBondContact NE-OD1 3.48Å; R485-D488 IonicContact NE-OD2 2.88Å; R485-D488 IonicContact NH1-OD1 3.73Å; R485-D488 IonicContact NH2-OD1 3.49Å; R485-D488 PolarHBondContact NH2-OD1 2.99Å
486	I	33.5	Very low	35.6	Very low	77 Å²	77	105.9 Å²	105.9	40%	0.395	50%	0.501	S	S	.	.			trans	-122.3	116.4	167.7	-63.7	159.5	0	0	0	106.4	N465	N465-I486 WeakPolarHBondContact O-CD1 3.37Å
487	D	30.6	Very low	35	Very low	137 Å²	137	111.6 Å²	111.6	73%	0.733	53%	0.526	S	S	*	.			trans	55.1	113	173.3	-67.6	-14.3	0	0	0	121.8	K489	D487-K489 PolarHBondContact O-N 3.38Å
488	D	32.6	Very low	34.5	Very low	104 Å²	104	116.1 Å²	116.1	56%	0.556	55%	0.545	S	S	*	.			trans	-76.2	85.1	163.9	-79.7	-38.9	0	0	0	112.4	R485	R485-D488 IonicContact CZ-OD1 3.69Å; R485-D488 IonicContact CZ-OD2 2.86Å; R485-D488 IonicContact NE-OD1 2.78Å; R485-D488 PolarHBondContact NE-OD1 3.48Å; R485-D488 IonicContact NE-OD2 2.88Å; R485-D488 IonicContact NH1-OD1 3.73Å; R485-D488 IonicContact NH2-OD1 3.49Å; R485-D488 PolarHBondContact NH2-OD1 2.99Å
489	K	21.4	Very low	33.7	Very low	187 Å²	187	121.8 Å²	121.8	81%	0.813	57%	0.569	S	S	*	*			trans	-131.8	100.6	156.3	-71.1	-170.1	-179.1	176.9	0	110.9	D487	D487-K489 PolarHBondContact O-N 3.38Å
490	F	23.4	Very low	32.8	Very low	176 Å²	176	129.5 Å²	129.5	77%	0.772	60%	0.602	S	S	*	*			trans	-59.1	133	155.8	-74.2	-93.6	0	0	0	109.1
491	F	24.4	Very low	32.1	Very low	273 Å²	273	130.8 Å²	130.8	100%	1.197	59%	0.592	S	S	*	*				-115	0	128.1	-76.9	-72	0	0	0	107.4

Retrieved 491 of 491 residues in 3735.8 ms (Link to these results)

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