A0A093I7F7_STRCA Loading...

ornithine carbamoyltransferase

AlphaFold DB , UniProt , Accession A0A093I7F7, Species STRCA (Struthio camelus australis), Gene n/a, Length 354 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	30.9	Very low	243 Å²	243	170.6 Å²	170.6	100%	1.197	86%	0.858	S	S	*	*				0	122.2	0	-84.2	173.2	-175.4	0	0	107.6
2	L	33.7	Very low	30.7	Very low	160 Å²	160	167.3 Å²	167.3	84%	0.838	85%	0.854	S	S	*	*			trans	-53.9	143.7	173.4	-70.9	111	0	0	0	110.2
3	F	27.5	Very low	30.7	Very low	215 Å²	215	167.8 Å²	167.8	94%	0.943	86%	0.86	S	S	*	*			trans	-153.8	128.7	135.6	-98.2	-71.9	0	0	0	110.1
4	N	31.1	Very low	30.9	Very low	144 Å²	144	164.8 Å²	164.8	77%	0.77	85%	0.852	S	S	*	*			trans	-139	139	171.8	-152.3	1.7	0	0	0	106.2
5	L	33.8	Very low	31	Very low	160 Å²	160	164.8 Å²	164.8	84%	0.838	85%	0.853	S	S	*	*			trans	146.3	101.2	162.5	-83.8	150.5	0	0	0	108
6	R	32	Very low	31	Very low	215 Å²	215	166.5 Å²	166.5	81%	0.811	85%	0.852	S	S	*	*				48.4	127.9	81.2	-82.9	-170.7	170.6	171.4	-2.7	112.3
7	N	31.6	Very low	31.3	Very low	130 Å²	130	165.1 Å²	165.1	70%	0.695	85%	0.847	S	S	*	*			cis	-156	164.3	21.1	-85.6	-33.8	0	0	0	107.5
8	F	29.4	Very low	31.2	Very low	201 Å²	201	161.8 Å²	161.8	88%	0.882	84%	0.841	S	S	*	*				-172.4	155.7	130	-116.8	-89.8	0	0	0	112.4
9	F	30.9	Very low	31.2	Very low	197 Å²	197	163.4 Å²	163.4	86%	0.864	84%	0.841	S	S	*	*			trans	-56.6	158	-169.1	-79.7	-106.9	0	0	0	118.1
10	G	27	Very low	31.2	Very low	73 Å²	73	163.9 Å²	163.9	75%	0.753	84%	0.839	S	S	*	*			trans	169.5	96.2	157.9	0	0	0	0	0	116.2
11	T	29.7	Very low	31.1	Very low	139 Å²	139	162.9 Å²	162.9	85%	0.853	84%	0.835	S	S	*	*			trans	-41.6	142.6	154.2	38	0	0	0	0	112.1
12	T	28.6	Very low	31	Very low	131 Å²	131	157.3 Å²	157.3	80%	0.804	81%	0.814	S	S	*	*			cis	-162.1	129.3	26.2	19.5	0	0	0	0	106.6
13	N	30.2	Very low	30.8	Very low	174 Å²	174	159 Å²	159	93%	0.93	81%	0.809	S	S	*	*			trans	-85.2	116.4	-179	-95.1	-21	0	0	0	112.5
14	V	34	Very low	30.9	Very low	125 Å²	125	156.1 Å²	156.1	76%	0.758	80%	0.798	S	S	*	*			trans	-68.1	125.5	150.8	175	0	0	0	0	107.3
15	L	31.8	Very low	30.8	Very low	165 Å²	165	158.3 Å²	158.3	86%	0.864	80%	0.802	S	S	*	*			trans	176.1	114.4	130.9	-92	156.9	0	0	0	109.7
16	K	31.2	Very low	30.5	Very low	192 Å²	192	161.2 Å²	161.2	84%	0.835	80%	0.801	S	S	*	*			trans	-68.1	150.4	167.9	-85.7	173.8	171	173.6	0	110.4
17	N	35.3	Very low	30.8	Very low	142 Å²	142	156.7 Å²	156.7	76%	0.759	80%	0.802	S	S	*	*			trans	85.4	88.7	157.6	-69	-9.4	0	0	0	118.6
18	S	30.3	Very low	30.8	Very low	107 Å²	107	153.1 Å²	153.1	75%	0.748	80%	0.795	S	S	*	*			trans	-147.3	102.8	134.8	-21.6	0	0	0	0	108.1	H20	S18-H20 PolarHBondContact O-N 3.1Å; S18-H20 VanDerWaalsContact O-N 3.08Å
19	K	31.5	Very low	31.1	Very low	191 Å²	191	151.9 Å²	151.9	83%	0.83	79%	0.792	S	S	*	*			trans	-68.9	101.6	173.4	-73.5	179.6	176.8	179.6	0	108.3	L21	K19-L21 PolarHBondContact O-N 3.08Å; K19-L21 VanDerWaalsContact O-N 3.1Å
20	H	30.4	Very low	31.7	Very low	173 Å²	173	148.2 Å²	148.2	80%	0.801	79%	0.788	S	S	*	*			trans	-71.5	97.5	162.5	-80.4	-66.5	0	0	0	108.8	S18 V22	S18-H20 PolarHBondContact O-N 3.1Å; S18-H20 VanDerWaalsContact O-N 3.08Å; H20-V22 PolarHBondContact O-N 3.24Å
21	L	29.6	Very low	32.5	Very low	144 Å²	144	149.3 Å²	149.3	75%	0.754	79%	0.79	S	S	*	*			trans	-76.4	98.3	163.8	-125.8	104.1	0	0	0	107.2	K19 R23	K19-L21 PolarHBondContact O-N 3.08Å; K19-L21 VanDerWaalsContact O-N 3.1Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 2.95Å
22	V	30.8	Very low	33.5	Very low	125 Å²	125	151 Å²	151	76%	0.758	79%	0.788	S	S	*	*			trans	-65.2	99.4	162.8	178.8	0	0	0	0	106.1	H20 Q24	H20-V22 PolarHBondContact O-N 3.24Å; V22-Q24 VanDerWaalsContact C-N 3.28Å; V22-Q24 PolarHBondContact O-N 2.98Å
23	R	30.3	Very low	35.1	Very low	197 Å²	197	146.9 Å²	146.9	74%	0.743	76%	0.76	S	S	*	*			trans	-68.8	93.1	167.8	-80.3	-174.8	175	-161.5	-0.7	107.2	L21 F25	L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 2.95Å; R23-F25 PolarHBondContact O-N 3.05Å
24	Q	29.1	Very low	37.3	Very low	153 Å²	153	145 Å²	145	72%	0.715	75%	0.75	S	S	*	*			trans	-59.1	106.9	157.6	-79.6	179.1	-25.3	0	0	106.9	V22 W26	V22-Q24 VanDerWaalsContact C-N 3.28Å; V22-Q24 PolarHBondContact O-N 2.98Å; Q24-W26 VanDerWaalsContact C-N 3.26Å; Q24-W26 PolarHBondContact O-N 3.02Å
25	F	29.4	Very low	40.1	Very low	191 Å²	191	140.1 Å²	140.1	84%	0.838	72%	0.721	S	S	*	*			trans	-67	94.3	163.6	-82.4	-91.2	0	0	0	106.9	R23 C27	R23-F25 PolarHBondContact O-N 3.05Å; F25-C27 VanDerWaalsContact C-N 3.31Å; F25-C27 PolarHBondContact O-N 2.95Å
26	W	28	Very low	43.1	Very low	220 Å²	220	139.3 Å²	139.3	83%	0.833	71%	0.712	S	S	*	*			trans	-64.9	99.2	159.9	-98.5	72.7	0	0	0	106.8	Q24 G28	Q24-W26 VanDerWaalsContact C-N 3.26Å; Q24-W26 PolarHBondContact O-N 3.02Å; W26-G28 VanDerWaalsContact C-N 3.3Å; W26-G28 PolarHBondContact O-N 3.05Å
27	C	37.4	Very low	46.3	Very low	121 Å²	121	130.4 Å²	130.4	82%	0.818	67%	0.674	S	S	*	*			trans	-63.4	101.6	159.6	-160.3	0	0	0	0	105.3	F25 Q29	F25-C27 VanDerWaalsContact C-N 3.31Å; F25-C27 PolarHBondContact O-N 2.95Å; C27-Q29 PolarHBondContact O-N 3.11Å
28	G	31.6	Very low	49.3	Very low	54 Å²	54	129 Å²	129	56%	0.557	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-52.6	135.6	174.7	0	0	0	0	0	108.8	W26	W26-G28 VanDerWaalsContact C-N 3.3Å; W26-G28 PolarHBondContact O-N 3.05Å
29	Q	35.8	Very low	52.5	Low	176 Å²	176	126.3 Å²	126.3	82%	0.822	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-52.5	132.8	170.2	-71.7	-170.5	-38	0	0	108	C27 A31	C27-Q29 PolarHBondContact O-N 3.11Å; Q29-A31 PolarHBondContact O-N 3Å; Q29-A31 VanDerWaalsContact O-N 3.11Å
30	P	43.7	Very low	55.7	Low	120 Å²	120	120.8 Å²	120.8	78%	0.779	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-56.4	126	175	20.3	-26.6	0	0	0	107	Q32	P30-Q32 PolarHBondContact O-N 3Å
31	A	42.9	Very low	58.9	Low	96 Å²	96	114.8 Å²	114.8	79%	0.793	60%	0.598	S	S	*	*			trans	-48.6	109.3	177.4	0	0	0	0	0	107.7	Q29 M33	Q29-A31 PolarHBondContact O-N 3Å; Q29-A31 VanDerWaalsContact O-N 3.11Å; A31-M33 PolarHBondContact O-N 3.37Å
32	Q	51.7	Low	62.2	Low	175 Å²	175	108 Å²	108	82%	0.818	56%	0.563	S	S	*	*			trans	-66.9	108	-175.7	-156.4	169.8	7.2	0	0	105.6	P30 N34	P30-Q32 PolarHBondContact O-N 3Å; Q32-N34 PolarHBondContact O-N 3.17Å; Q32-N34 VanDerWaalsContact O-N 3.11Å
33	M	62.5	Low	65.5	Low	43 Å²	43	102.6 Å²	102.6	21%	0.212	53%	0.529	C	S	.	.			trans	-67.1	114.4	177.3	-64	178.4	68.2	0	0	107	A31 V35 D51 K351	A31-M33 PolarHBondContact O-N 3.37Å; M33-V35 HydrophobicContact CB-CG2 4Å; M33-V35 HydrophobicContact CE-CG2 3.99Å; M33-V35 PolarHBondContact O-N 3.39Å; M33-D51 HydrophobicContact CE-CB 3.11Å; M33-D51 WeakPolarHBondContact CE-O 3.22Å; M33-D51 WeakPolarHBondContact CE-OD1 3.3Å; M33-K351 HydrophobicContact SD-CD 4.24Å; M33-K351 PolarHBondContact SD-NZ 2.68Å
34	N	75.9	Confident	68.7	Low	134 Å²	134	93.5 Å²	93.5	72%	0.717	50%	0.496	S	S	*	.			trans	-74.5	68	171.9	-72.8	-21.6	0	0	0	109	Q32	Q32-N34 PolarHBondContact O-N 3.17Å; Q32-N34 VanDerWaalsContact O-N 3.11Å
35	V	92.8	Very high	72	Confident	24 Å²	24	86.2 Å²	86.2	15%	0.145	46%	0.462	C	S	.	.			trans	-96.1	116	176.2	167.2	0	0	0	0	108.5	M33 L37 D51 E52 Y55	M33-V35 HydrophobicContact CB-CG2 4Å; M33-V35 HydrophobicContact CE-CG2 3.99Å; M33-V35 PolarHBondContact O-N 3.39Å; V35-L37 HydrophobicContact CG1-CD1 3.94Å; V35-L37 HydrophobicContact CG1-CD2 4.14Å; V35-L37 HydrophobicContact CG1-CG 3.61Å; V35-D51 HydrophobicContact CG2-CB 4.46Å; V35-E52 HydrophobicContact CG1-CG 3.99Å; V35-E52 HydrophobicContact CG2-CG 4.26Å; V35-Y55 HydrophobicContact CB-CD2 4.23Å; V35-Y55 HydrophobicContact CB-CG 4.17Å; V35-Y55 HydrophobicContact CG1-CD1 3.84Å; V35-Y55 HydrophobicContact CG1-CD2 4.21Å; V35-Y55 HydrophobicContact CG1-CE1 4.48Å; V35-Y55 HydrophobicContact CG1-CG 3.68Å
36	H	94.2	Very high	75.2	Confident	148 Å²	148	79.3 Å²	79.3	69%	0.685	43%	0.433	S	S	*	.			trans	-115.4	94.9	-179.9	-63	-72	0	0	0	110
37	L	98.2	Very high	78.5	Confident	5 Å²	5	73.1 Å²	73.1	3%	0.026	42%	0.417	C	S	.	.			trans	-101.9	-14.6	-178.2	-62.5	-177.5	0	0	0	114.1	V35 G39 R40 Y48 E52 Y55 L56 S340 L341	V35-L37 HydrophobicContact CG1-CD1 3.94Å; V35-L37 HydrophobicContact CG1-CD2 4.14Å; V35-L37 HydrophobicContact CG1-CG 3.61Å; L37-G39 PolarHBondContact O-N 3.2Å; L37-R40 WeakPolarHBondContact O-CB 3.27Å; L37-R40 WeakPolarHBondContact O-CG 3.41Å; L37-R40 PolarHBondContact O-N 3.23Å; L37-Y48 HydrophobicContact CD1-CE1 4.44Å; L37-Y48 HydrophobicContact CD2-CD1 4.24Å; L37-Y48 HydrophobicContact CD2-CE1 3.79Å; L37-E52 HydrophobicContact CD2-CB 4.12Å; L37-E52 HydrophobicContact CD2-CG 3.86Å; L37-Y55 HydrophobicContact CD1-CD1 3.75Å; L37-Y55 HydrophobicContact CD1-CE1 4.3Å; L37-L56 HydrophobicContact CD1-CD2 3.74Å; L37-L56 HydrophobicContact CD1-CG 3.91Å; L37-S340 CarbonylContact C-O 3.57Å; L37-L341 HydrophobicContact CB-CD2 4.14Å; L37-L341 WeakPolarHBondContact O-CD2 3.14Å
38	K	98.4	Very high	81.4	Confident	111 Å²	111	67.5 Å²	67.5	48%	0.483	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	128	-177.3	-173.4	177.7	176.6	-172.3	0	110.9	R40 S340 L341 D344	K38-R40 VanDerWaalsContact C-N 3.3Å; K38-R40 PolarHBondContact O-N 3.14Å; K38-S340 WeakPolarHBondContact CA-O 3.41Å; K38-S340 PolarHBondContact N-O 2.73Å; K38-L341 CarbonylContact C-O 3.56Å; K38-L341 WeakPolarHBondContact CA-O 3.27Å; K38-D344 WeakPolarHBondContact CD-OD1 3.49Å; K38-D344 VanDerWaalsContact NZ-CG 3.29Å; K38-D344 IonicContact NZ-OD1 2.87Å; K38-D344 PolarHBondContact NZ-OD1 3.17Å; K38-D344 VanDerWaalsContact NZ-OD1 3.17Å; K38-D344 IonicContact NZ-OD2 3.54Å; K38-D344 PolarHBondContact NZ-OD2 3.01Å
39	G	98.2	Very high	84.6	Confident	52 Å²	52	68.3 Å²	68.3	54%	0.536	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-2.2	-178.5	0	0	0	0	0	115.3	L37 L341	L37-G39 PolarHBondContact O-N 3.2Å; G39-L341 PolarHBondContact N-O 3.09Å
40	R	98.6	Very high	87.6	Confident	74 Å²	74	60.4 Å²	60.4	28%	0.279	34%	0.337	S	S	.	.			trans	-79.2	158.5	175.2	-62.6	-168.9	65.2	-166.9	-7.5	111.8	L37 K38 N47 E52 P158 L341	L37-R40 WeakPolarHBondContact O-CB 3.27Å; L37-R40 WeakPolarHBondContact O-CG 3.41Å; L37-R40 PolarHBondContact O-N 3.23Å; K38-R40 VanDerWaalsContact C-N 3.3Å; K38-R40 PolarHBondContact O-N 3.14Å; R40-N47 PolarHBondContact NH2-O 2.87Å; R40-E52 IonicContact CZ-OE1 3.2Å; R40-E52 IonicContact NH1-OE1 3.33Å; R40-E52 PolarHBondContact NH1-OE1 3.44Å; R40-E52 IonicContact NH1-OE2 2.79Å; R40-E52 PolarHBondContact NH1-OE2 3Å; R40-P158 WeakPolarHBondContact O-CB 3.29Å; R40-L341 HydrophobicContact CB-CD2 4.13Å; R40-L341 WeakPolarHBondContact O-CD1 3.1Å; R40-L341 WeakPolarHBondContact O-CD2 3.43Å
41	D	98.8	Very high	90.1	Very high	48 Å²	48	58.1 Å²	58.1	26%	0.257	32%	0.318	S	S	.	.			trans	-90.5	153.9	168.8	-50	-70.1	0	0	0	111.9	L43 Y48 T152 I159	D41-L43 HydrophobicContact CB-CD2 4.18Å; D41-L43 HydrophobicContact CB-CG 4.14Å; D41-Y48 WeakPolarHBondContact O-CE2 3.48Å; D41-Y48 PolarHBondContact O-OH 2.89Å; D41-T152 HydrophobicContact CB-CG2 4.28Å; D41-T152 WeakPolarHBondContact OD2-CG2 3.29Å; D41-I159 CarbonylContact C-O 3.58Å; D41-I159 WeakPolarHBondContact CA-O 3.49Å; D41-I159 HydrophobicContact CB-CB 4.47Å; D41-I159 WeakPolarHBondContact CB-O 3.47Å; D41-I159 PolarHBondContact OD1-N 3.11Å
42	L	98.8	Very high	92.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-117.4	77	170.5	-176	67.4	0	0	0	110.1	L45 Y48 I159 N161 P169 L170 L173 V337 L341	L42-L45 HydrophobicContact CD1-CD2 4.02Å; L42-Y48 HydrophobicContact CB-CE2 4.47Å; L42-Y48 HydrophobicContact CD1-CD2 3.83Å; L42-Y48 HydrophobicContact CD1-CE1 4.1Å; L42-Y48 HydrophobicContact CD1-CE2 3.32Å; L42-Y48 HydrophobicContact CD1-CG 4.44Å; L42-Y48 VanDerWaalsContact CD1-CZ 3.48Å; L42-Y48 HydrophobicContact CG-CE2 4.47Å; L42-I159 PolarHBondContact N-O 2.57Å; L42-N161 WeakPolarHBondContact O-CB 3.23Å; L42-N161 PolarHBondContact O-N 3.21Å; L42-P169 HydrophobicContact CD1-CB 4.45Å; L42-P169 HydrophobicContact CG-CB 4.39Å; L42-P169 HydrophobicContact CG-CG 4.35Å; L42-L170 HydrophobicContact CD2-CD2 3.76Å; L42-L170 HydrophobicContact CD2-CG 4.5Å; L42-L173 HydrophobicContact CD2-CD1 4.26Å; L42-V337 HydrophobicContact CB-CG1 4.43Å; L42-V337 HydrophobicContact CD2-CB 4.27Å; L42-V337 HydrophobicContact CD2-CG1 3.62Å; L42-V337 HydrophobicContact CD2-CG2 3.59Å; L42-L341 HydrophobicContact CB-CD1 4.38Å
43	L	98.5	Very high	95	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.063	25%	0.247	C	C	.	.	S	Bend	trans	-86.2	-41.2	177.3	-52.8	-168.6	0	0	0	112.5	D41 L148 T152 I159 N161	D41-L43 HydrophobicContact CB-CD2 4.18Å; D41-L43 HydrophobicContact CB-CG 4.14Å; L43-L148 HydrophobicContact CD2-CB 4.15Å; L43-T152 HydrophobicContact CD1-CG2 4.44Å; L43-T152 WeakPolarHBondContact CD1-OG1 3.41Å; L43-I159 HydrophobicContact CD2-CB 4.07Å; L43-I159 HydrophobicContact CD2-CG2 3.8Å; L43-N161 WeakPolarHBondContact O-CB 3.22Å; L43-N161 PolarHBondContact O-ND2 2.97Å
44	T	98.5	Very high	96.7	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.037	25%	0.247	C	C	.	.			trans	-154.8	149.9	-178.6	173.2	0	0	0	0	110.2	L46 N47	T44-L46 HydrophobicContact CG2-CB 3.8Å; T44-L46 PolarHBondContact O-N 3.05Å; T44-L46 PolarHBondContact OG1-N 2.86Å; T44-N47 PolarHBondContact O-N 3.35Å
45	L	98.4	Very high	97.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-71.3	-8.7	175.2	-56.9	-174.2	0	0	0	112.6	L42 N47 Y48 L53 P169 I172 L173 K210	L42-L45 HydrophobicContact CD1-CD2 4.02Å; L45-N47 PolarHBondContact O-N 2.86Å; L45-Y48 PolarHBondContact O-N 3.46Å; L45-L53 HydrophobicContact CB-CD2 4.35Å; L45-L53 HydrophobicContact CD1-CD2 4.39Å; L45-L53 HydrophobicContact CD2-CD2 3.8Å; L45-L53 HydrophobicContact CG-CD2 4.39Å; L45-P169 HydrophobicContact CD2-CB 3.63Å; L45-P169 HydrophobicContact CG-CB 3.71Å; L45-I172 HydrophobicContact CD1-CB 3.87Å; L45-I172 HydrophobicContact CD1-CG2 3.88Å; L45-L173 HydrophobicContact CD2-CD2 4.35Å; L45-L173 HydrophobicContact CD2-CG 4.44Å; L45-K210 PolarHBondContact O-NZ 3.24Å
46	L	96.9	Very high	98.1	Very high	45 Å²	45	41.1 Å²	41.1	24%	0.236	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-55	-41.6	170.1	-175.5	67.6	0	0	0	111.5	T44 Y48 T206 K210 I232 Y236	T44-L46 HydrophobicContact CG2-CB 3.8Å; T44-L46 PolarHBondContact O-N 3.05Å; T44-L46 PolarHBondContact OG1-N 2.86Å; L46-Y48 PolarHBondContact O-N 3.45Å; L46-T206 HydrophobicContact CB-CG2 4.42Å; L46-T206 HydrophobicContact CD1-CG2 4.23Å; L46-K210 PolarHBondContact O-NZ 3.33Å; L46-I232 HydrophobicContact CD1-CD1 4.06Å; L46-I232 HydrophobicContact CD1-CG2 3.6Å; L46-I232 HydrophobicContact CD2-CD1 4.26Å; L46-Y236 HydrophobicContact CD1-CE2 3.98Å; L46-Y236 WeakPolarHBondContact CD1-OH 3.44Å
47	N	97.5	Very high	98.3	Very high	90 Å²	90	34.1 Å²	34.1	48%	0.481	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-82.3	4.3	-174.1	-61.7	-15.8	0	0	0	113.7	R40 T44 L45	R40-N47 PolarHBondContact NH2-O 2.87Å; T44-N47 PolarHBondContact O-N 3.35Å; L45-N47 PolarHBondContact O-N 2.86Å
48	Y	98.4	Very high	98.3	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.012	19%	0.187	C	C	.	.	S	Bend	trans	-114.8	133.4	-177.4	-76.6	-107.3	0	0	0	110.1	L37 D41 L42 L45 L46 E52 L56 K210	L37-Y48 HydrophobicContact CD1-CE1 4.44Å; L37-Y48 HydrophobicContact CD2-CD1 4.24Å; L37-Y48 HydrophobicContact CD2-CE1 3.79Å; D41-Y48 WeakPolarHBondContact O-CE2 3.48Å; D41-Y48 PolarHBondContact O-OH 2.89Å; L42-Y48 HydrophobicContact CB-CE2 4.47Å; L42-Y48 HydrophobicContact CD1-CD2 3.83Å; L42-Y48 HydrophobicContact CD1-CE1 4.1Å; L42-Y48 HydrophobicContact CD1-CE2 3.32Å; L42-Y48 HydrophobicContact CD1-CG 4.44Å; L42-Y48 VanDerWaalsContact CD1-CZ 3.48Å; L42-Y48 HydrophobicContact CG-CE2 4.47Å; L45-Y48 PolarHBondContact O-N 3.46Å; L46-Y48 PolarHBondContact O-N 3.45Å; Y48-E52 WeakPolarHBondContact CA-OE2 3.22Å; Y48-E52 HydrophobicContact CD1-CB 3.94Å; Y48-L56 HydrophobicContact CD1-CD1 4.01Å; Y48-L56 HydrophobicContact CE1-CD1 4.01Å; Y48-K210 WeakPolarHBondContact O-CD 3.33Å; Y48-K210 PolarHBondContact O-NZ 2.96Å
49	T	98.1	Very high	98.3	Very high	71 Å²	71	30.8 Å²	30.8	44%	0.436	16%	0.164	S	C	.	.			trans	-75.7	165.2	176.3	68	0	0	0	0	111.4	D51 E52 L53	T49-D51 PolarHBondContact O-N 3.48Å; T49-E52 PolarHBondContact N-OE2 3.47Å; T49-E52 PolarHBondContact O-N 3.38Å; T49-E52 VanDerWaalsContact OG1-CG 3.27Å; T49-E52 WeakPolarHBondContact OG1-CG 3.49Å; T49-E52 PolarHBondContact OG1-N 2.99Å; T49-E52 PolarHBondContact OG1-OE2 3.05Å; T49-L53 WeakPolarHBondContact O-CG 3.45Å; T49-L53 PolarHBondContact O-N 2.98Å
50	S	97.7	Very high	98.4	Very high	10 Å²	10	28.3 Å²	28.3	7%	0.07	14%	0.139	C	C	.	.	H	α-helix	trans	-49.8	-43.2	172.4	179.6	0	0	0	0	112.4	L53 R54 K210	S50-L53 PolarHBondContact O-N 2.81Å; S50-R54 VanDerWaalsContact O-CG 3.32Å; S50-R54 WeakPolarHBondContact O-CG 3.37Å; S50-R54 PolarHBondContact O-N 2.89Å; S50-R54 PolarHBondContact OG-NH1 2.86Å; S50-R54 VanDerWaalsContact OG-NH1 3.12Å; S50-R54 PolarHBondContact OG-NH2 3.35Å; S50-K210 WeakPolarHBondContact CB-O 3.46Å; S50-K210 PolarHBondContact OG-O 3.27Å
51	D	97.7	Very high	98.4	Very high	72 Å²	72	25.7 Å²	25.7	39%	0.385	13%	0.131	S	C	.	.	H	α-helix	trans	-71	-37.2	-176.7	-86	-6.9	0	0	0	112.9	M33 V35 T49 R54 Y55	M33-D51 HydrophobicContact CE-CB 3.11Å; M33-D51 WeakPolarHBondContact CE-O 3.22Å; M33-D51 WeakPolarHBondContact CE-OD1 3.3Å; V35-D51 HydrophobicContact CG2-CB 4.46Å; T49-D51 PolarHBondContact O-N 3.48Å; D51-R54 PolarHBondContact O-N 3.16Å; D51-R54 IonicContact OD1-NH1 2.72Å; D51-R54 PolarHBondContact OD1-NH1 2.92Å; D51-Y55 WeakPolarHBondContact O-CB 3.3Å; D51-Y55 PolarHBondContact O-N 3.02Å
52	E	98.6	Very high	98.4	Very high	23 Å²	23	23.4 Å²	23.4	11%	0.107	12%	0.119	C	C	.	.	H	α-helix	trans	-68.7	-38.7	173.9	-67.3	173.5	142.9	0	0	112.1	V35 L37 R40 Y48 T49 Y55 L56	V35-E52 HydrophobicContact CG1-CG 3.99Å; V35-E52 HydrophobicContact CG2-CG 4.26Å; L37-E52 HydrophobicContact CD2-CB 4.12Å; L37-E52 HydrophobicContact CD2-CG 3.86Å; R40-E52 IonicContact CZ-OE1 3.2Å; R40-E52 IonicContact NH1-OE1 3.33Å; R40-E52 PolarHBondContact NH1-OE1 3.44Å; R40-E52 IonicContact NH1-OE2 2.79Å; R40-E52 PolarHBondContact NH1-OE2 3Å; Y48-E52 WeakPolarHBondContact CA-OE2 3.22Å; Y48-E52 HydrophobicContact CD1-CB 3.94Å; T49-E52 PolarHBondContact N-OE2 3.47Å; T49-E52 PolarHBondContact O-N 3.38Å; T49-E52 VanDerWaalsContact OG1-CG 3.27Å; T49-E52 WeakPolarHBondContact OG1-CG 3.49Å; T49-E52 PolarHBondContact OG1-N 2.99Å; T49-E52 PolarHBondContact OG1-OE2 3.05Å; E52-Y55 WeakPolarHBondContact O-CB 3.18Å; E52-Y55 PolarHBondContact O-N 2.79Å; E52-L56 WeakPolarHBondContact O-CG 3.28Å; E52-L56 PolarHBondContact O-N 3.44Å
53	L	98.6	Very high	98.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-62.3	-47.2	173.7	-66	178.4	0	0	0	111.1	L45 T49 S50 Y55 L56 L57 L173 K210 L211	L45-L53 HydrophobicContact CB-CD2 4.35Å; L45-L53 HydrophobicContact CD1-CD2 4.39Å; L45-L53 HydrophobicContact CD2-CD2 3.8Å; L45-L53 HydrophobicContact CG-CD2 4.39Å; T49-L53 WeakPolarHBondContact O-CG 3.45Å; T49-L53 PolarHBondContact O-N 2.98Å; S50-L53 PolarHBondContact O-N 2.81Å; L53-Y55 VanDerWaalsContact C-N 3.27Å; L53-Y55 PolarHBondContact O-N 3.48Å; L53-L56 PolarHBondContact O-N 2.76Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 3.11Å; L53-L173 HydrophobicContact CD2-CD2 4.34Å; L53-K210 HydrophobicContact CD1-CB 4.07Å; L53-K210 HydrophobicContact CD1-CD 3.94Å; L53-L211 HydrophobicContact CB-CD2 4.22Å
54	R	98.5	Very high	98.4	Very high	61 Å²	61	23.6 Å²	23.6	23%	0.23	12%	0.119	C	C	.	.	H	α-helix	trans	-60.5	-36.7	175.2	-70.4	172.3	-178.7	142.9	0.2	112	S50 D51 L57 W58 L211 F354	S50-R54 VanDerWaalsContact O-CG 3.32Å; S50-R54 WeakPolarHBondContact O-CG 3.37Å; S50-R54 PolarHBondContact O-N 2.89Å; S50-R54 PolarHBondContact OG-NH1 2.86Å; S50-R54 VanDerWaalsContact OG-NH1 3.12Å; S50-R54 PolarHBondContact OG-NH2 3.35Å; D51-R54 PolarHBondContact O-N 3.16Å; D51-R54 IonicContact OD1-NH1 2.72Å; D51-R54 PolarHBondContact OD1-NH1 2.92Å; R54-L57 PolarHBondContact O-N 2.86Å; R54-W58 VanDerWaalsContact O-CB 3.29Å; R54-W58 WeakPolarHBondContact O-CB 3.39Å; R54-W58 PolarHBondContact O-N 2.85Å; R54-L211 HydrophobicContact CG-CD2 3.76Å; R54-F354 HydrophobicContact CB-CD2 4Å; R54-F354 HydrophobicContact CB-CE2 4.13Å; R54-F354 HydrophobicContact CB-CG 4.43Å; R54-F354 HydrophobicContact CG-CB 4.06Å; R54-F354 HydrophobicContact CG-CD2 3.89Å; R54-F354 HydrophobicContact CG-CE2 4.47Å; R54-F354 HydrophobicContact CG-CG 3.9Å
55	Y	98.6	Very high	98.4	Very high	27 Å²	27	26.7 Å²	26.7	11%	0.106	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-45.4	175.6	-177.5	-92.8	0	0	0	112	V35 L37 D51 E52 L53 L57 W58 M59 Y345 P347	V35-Y55 HydrophobicContact CB-CD2 4.23Å; V35-Y55 HydrophobicContact CB-CG 4.17Å; V35-Y55 HydrophobicContact CG1-CD1 3.84Å; V35-Y55 HydrophobicContact CG1-CD2 4.21Å; V35-Y55 HydrophobicContact CG1-CE1 4.48Å; V35-Y55 HydrophobicContact CG1-CG 3.68Å; L37-Y55 HydrophobicContact CD1-CD1 3.75Å; L37-Y55 HydrophobicContact CD1-CE1 4.3Å; D51-Y55 WeakPolarHBondContact O-CB 3.3Å; D51-Y55 PolarHBondContact O-N 3.02Å; E52-Y55 WeakPolarHBondContact O-CB 3.18Å; E52-Y55 PolarHBondContact O-N 2.79Å; L53-Y55 VanDerWaalsContact C-N 3.27Å; L53-Y55 PolarHBondContact O-N 3.48Å; Y55-L57 VanDerWaalsContact C-N 3.33Å; Y55-L57 PolarHBondContact O-N 2.97Å; Y55-W58 HydrophobicContact CD2-CE3 4.08Å; Y55-W58 HydrophobicContact CD2-CZ3 4.36Å; Y55-W58 HydrophobicContact CE2-CE3 4.45Å; Y55-W58 HydrophobicContact CE2-CZ3 4.48Å; Y55-W58 PolarHBondContact O-N 3.04Å; Y55-M59 HydrophobicContact CE1-CE 4.34Å; Y55-M59 WeakPolarHBondContact O-CB 3.39Å; Y55-M59 PolarHBondContact O-N 2.88Å; Y55-Y345 PolarHBondContact OH-O 3.11Å; Y55-P347 HydrophobicContact CE2-CG 4.23Å
56	L	98.8	Very high	98.4	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-41.5	176.5	-71	172.4	0	0	0	112.1	L37 Y48 E52 L53 A60 L173 V337	L37-L56 HydrophobicContact CD1-CD2 3.74Å; L37-L56 HydrophobicContact CD1-CG 3.91Å; Y48-L56 HydrophobicContact CD1-CD1 4.01Å; Y48-L56 HydrophobicContact CE1-CD1 4.01Å; E52-L56 WeakPolarHBondContact O-CG 3.28Å; E52-L56 PolarHBondContact O-N 3.44Å; L53-L56 PolarHBondContact O-N 2.76Å; L56-A60 PolarHBondContact O-N 3.25Å; L56-L173 HydrophobicContact CB-CD2 4.34Å; L56-L173 HydrophobicContact CD1-CD1 4.2Å; L56-L173 HydrophobicContact CD1-CD2 4.28Å; L56-V337 HydrophobicContact CD2-CG2 4.14Å
57	L	98.8	Very high	98.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-68.7	-39.4	176.5	-63.1	177.3	0	0	0	112.2	L53 R54 Y55 A60 S61 L173 L177 L186 L211 F354	L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 3.11Å; R54-L57 PolarHBondContact O-N 2.86Å; Y55-L57 VanDerWaalsContact C-N 3.33Å; Y55-L57 PolarHBondContact O-N 2.97Å; L57-A60 PolarHBondContact O-N 3.33Å; L57-S61 PolarHBondContact O-N 3.04Å; L57-L173 HydrophobicContact CD2-CD2 4.35Å; L57-L173 VanDerWaalsContact CD2-O 3.23Å; L57-L173 WeakPolarHBondContact CD2-O 3.44Å; L57-L177 HydrophobicContact CD2-CB 4.12Å; L57-L186 HydrophobicContact CD1-CD1 4.12Å; L57-L211 HydrophobicContact CD1-CD1 4.23Å; L57-F354 HydrophobicContact CB-CE1 3.49Å; L57-F354 VanDerWaalsContact CB-CE1 3.49Å; L57-F354 HydrophobicContact CB-CZ 3.62Å; L57-F354 HydrophobicContact CD1-CD1 4.11Å; L57-F354 HydrophobicContact CD1-CE1 3.67Å; L57-F354 HydrophobicContact CG-CE1 4.24Å
58	W	98.7	Very high	98.6	Very high	46 Å²	46	26.9 Å²	26.9	17%	0.174	13%	0.128	C	C	.	.	H	α-helix	trans	-62.2	-45.9	174.3	176.9	21.9	0	0	0	111.5	R54 Y55 A60 S61 D62 P347 L349 K351 F354	R54-W58 VanDerWaalsContact O-CB 3.29Å; R54-W58 WeakPolarHBondContact O-CB 3.39Å; R54-W58 PolarHBondContact O-N 2.85Å; Y55-W58 HydrophobicContact CD2-CE3 4.08Å; Y55-W58 HydrophobicContact CD2-CZ3 4.36Å; Y55-W58 HydrophobicContact CE2-CE3 4.45Å; Y55-W58 HydrophobicContact CE2-CZ3 4.48Å; Y55-W58 PolarHBondContact O-N 3.04Å; W58-A60 VanDerWaalsContact C-N 3.29Å; W58-A60 PolarHBondContact O-N 2.63Å; W58-S61 PolarHBondContact O-N 3.46Å; W58-D62 WeakPolarHBondContact O-CB 3.31Å; W58-D62 PolarHBondContact O-N 3.04Å; W58-P347 HydrophobicContact CD2-CB 4.02Å; W58-P347 HydrophobicContact CD2-CG 3.43Å; W58-P347 VanDerWaalsContact CD2-CG 3.43Å; W58-P347 VanDerWaalsContact CE2-CG 3.43Å; W58-P347 HydrophobicContact CE3-CG 3.58Å; W58-P347 HydrophobicContact CG-CB 4.31Å; W58-P347 HydrophobicContact CG-CG 4.06Å; W58-P347 HydrophobicContact CH2-CG 3.76Å; W58-P347 HydrophobicContact CZ2-CB 4Å; W58-P347 HydrophobicContact CZ2-CG 3.62Å; W58-P347 HydrophobicContact CZ3-CG 3.74Å; W58-L349 VanDerWaalsContact CE2-O 3.31Å; W58-L349 VanDerWaalsContact CZ2-O 3.3Å; W58-L349 WeakPolarHBondContact CZ2-O 3.29Å; W58-L349 PolarHBondContact NE1-O 3.09Å; W58-K351 HydrophobicContact CD2-CB 4.07Å; W58-K351 HydrophobicContact CD2-CG 4.03Å; W58-K351 HydrophobicContact CE3-CB 4.45Å; W58-K351 HydrophobicContact CE3-CG 4.23Å; W58-K351 HydrophobicContact CG-CB 4.47Å; W58-K351 HydrophobicContact CG-CG 4.22Å; W58-K351 HydrophobicContact CZ2-CB 4.26Å; W58-F354 HydrophobicContact CB-CE2 4.46Å; W58-F354 HydrophobicContact CB-CZ 4.47Å
59	M	98.8	Very high	98.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.6	-42.3	174.5	-177.9	57.4	46.2	0	0	111.8	Y55 D62 L63 A336 V339 Y345 P347	Y55-M59 HydrophobicContact CE1-CE 4.34Å; Y55-M59 WeakPolarHBondContact O-CB 3.39Å; Y55-M59 PolarHBondContact O-N 2.88Å; M59-D62 PolarHBondContact O-N 3.48Å; M59-L63 HydrophobicContact CG-CD1 4.29Å; M59-L63 WeakPolarHBondContact O-CG 3.43Å; M59-L63 PolarHBondContact O-N 2.72Å; M59-L63 HydrophobicContact SD-CD1 4.33Å; M59-L63 HydrophobicContact SD-CG 4.26Å; M59-A336 HydrophobicContact CB-CB 3.83Å; M59-A336 HydrophobicContact CG-CB 3.58Å; M59-V339 HydrophobicContact CG-CG1 4.49Å; M59-V339 HydrophobicContact SD-CB 4.39Å; M59-V339 HydrophobicContact SD-CG1 3.77Å; M59-Y345 HydrophobicContact CE-CD1 3.67Å; M59-Y345 HydrophobicContact CE-CE1 3.87Å; M59-Y345 HydrophobicContact SD-CD1 3.47Å; M59-Y345 WeakPolarHBondContact SD-CD1 3.42Å; M59-Y345 HydrophobicContact SD-CE1 3.53Å; M59-Y345 VanDerWaalsContact SD-CE1 3.53Å; M59-P347 HydrophobicContact CE-CB 3.67Å; M59-P347 HydrophobicContact CE-CG 3.47Å; M59-P347 VanDerWaalsContact CE-CG 3.47Å
60	A	98.8	Very high	98.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-43.7	177.3	0	0	0	0	0	112.5	L56 L57 W58 L63 K64 L177 W332 T333 A336	L56-A60 PolarHBondContact O-N 3.25Å; L57-A60 PolarHBondContact O-N 3.33Å; W58-A60 VanDerWaalsContact C-N 3.29Å; W58-A60 PolarHBondContact O-N 2.63Å; A60-L63 PolarHBondContact O-N 3.01Å; A60-K64 VanDerWaalsContact O-CB 3.3Å; A60-K64 WeakPolarHBondContact O-CB 3.47Å; A60-K64 PolarHBondContact O-N 2.7Å; A60-L177 HydrophobicContact CB-CD2 3.81Å; A60-W332 HydrophobicContact CB-CB 4.5Å; A60-T333 HydrophobicContact CB-CG2 3.83Å; A60-A336 HydrophobicContact CB-CB 3.69Å
61	S	98.8	Very high	98.6	Very high	18 Å²	18	37.4 Å²	37.4	13%	0.126	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-43.2	175.4	-173.7	0	0	0	0	111.9	L57 W58 K64 Q65 L349	L57-S61 PolarHBondContact O-N 3.04Å; W58-S61 PolarHBondContact O-N 3.46Å; S61-K64 PolarHBondContact O-N 3.24Å; S61-Q65 WeakPolarHBondContact O-CB 3.33Å; S61-Q65 PolarHBondContact O-N 3.2Å; S61-L349 WeakPolarHBondContact OG-CD2 3.42Å
62	D	98.8	Very high	98.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-51.7	176	177.2	82	0	0	0	112	W58 M59 K64 Q65 R66 Y345 P347 Q348 L349	W58-D62 WeakPolarHBondContact O-CB 3.31Å; W58-D62 PolarHBondContact O-N 3.04Å; M59-D62 PolarHBondContact O-N 3.48Å; D62-K64 VanDerWaalsContact C-N 3.35Å; D62-K64 PolarHBondContact O-N 3.33Å; D62-Q65 PolarHBondContact O-N 3.25Å; D62-R66 WeakPolarHBondContact O-CG 3.29Å; D62-R66 PolarHBondContact O-N 2.98Å; D62-Y345 WeakPolarHBondContact OD2-CE1 3.31Å; D62-Y345 PolarHBondContact OD2-OH 3.28Å; D62-P347 HydrophobicContact CB-CB 3.73Å; D62-Q348 PolarHBondContact OD1-N 3.5Å; D62-L349 HydrophobicContact CB-CB 4Å; D62-L349 PolarHBondContact OD1-N 3.27Å
63	L	98.9	Very high	98.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-43.2	178.9	-68.6	175.2	0	0	0	111.8	M59 A60 I67 L74 L76 L104 M335 A336 V339	M59-L63 HydrophobicContact CG-CD1 4.29Å; M59-L63 WeakPolarHBondContact O-CG 3.43Å; M59-L63 PolarHBondContact O-N 2.72Å; M59-L63 HydrophobicContact SD-CD1 4.33Å; M59-L63 HydrophobicContact SD-CG 4.26Å; A60-L63 PolarHBondContact O-N 3.01Å; L63-I67 HydrophobicContact CB-CD1 4.49Å; L63-I67 HydrophobicContact CD2-CD1 4.39Å; L63-I67 VanDerWaalsContact O-CB 3.3Å; L63-I67 WeakPolarHBondContact O-CB 3.24Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 3.05Å; L63-L74 HydrophobicContact CD2-CD1 4.22Å; L63-L76 HydrophobicContact CD2-CD1 4Å; L63-L104 HydrophobicContact CD2-CD2 4.4Å; L63-M335 HydrophobicContact CD1-CB 3.95Å; L63-A336 HydrophobicContact CD1-CB 4.31Å; L63-V339 HydrophobicContact CD1-CB 4.44Å; L63-V339 HydrophobicContact CD1-CG2 3.97Å
64	K	98.8	Very high	98.7	Very high	15 Å²	15	43.2 Å²	43.2	7%	0.065	21%	0.206	C	C	.	.	I	π-helix	trans	-60.9	-46.8	176	-174.2	175.2	-176.6	179.5	0	110.9	A60 S61 D62 K68 H69 E181 N329 W332	A60-K64 VanDerWaalsContact O-CB 3.3Å; A60-K64 WeakPolarHBondContact O-CB 3.47Å; A60-K64 PolarHBondContact O-N 2.7Å; S61-K64 PolarHBondContact O-N 3.24Å; D62-K64 VanDerWaalsContact C-N 3.35Å; D62-K64 PolarHBondContact O-N 3.33Å; K64-K68 HydrophobicContact CG-CB 4.37Å; K64-K68 HydrophobicContact CG-CD 4.35Å; K64-K68 WeakPolarHBondContact O-CA 3.2Å; K64-K68 WeakPolarHBondContact O-CB 3.08Å; K64-K68 PolarHBondContact O-N 3.48Å; K64-H69 PolarHBondContact O-N 3.48Å; K64-E181 VanDerWaalsContact CD-OE1 3.3Å; K64-E181 WeakPolarHBondContact CD-OE1 3.46Å; K64-E181 WeakPolarHBondContact CE-OE1 3.14Å; K64-E181 IonicContact NZ-OE1 2.67Å; K64-E181 PolarHBondContact NZ-OE1 3.23Å; K64-E181 IonicContact NZ-OE2 3.17Å; K64-E181 PolarHBondContact NZ-OE2 3.45Å; K64-N329 PolarHBondContact NZ-OD1 3.1Å; K64-W332 HydrophobicContact CB-CB 4.22Å; K64-W332 HydrophobicContact CB-CD2 3.71Å; K64-W332 HydrophobicContact CB-CE3 4.06Å; K64-W332 HydrophobicContact CB-CG 3.76Å; K64-W332 HydrophobicContact CD-CD2 4.45Å; K64-W332 HydrophobicContact CD-CG 3.97Å; K64-W332 HydrophobicContact CG-CD2 3.87Å; K64-W332 HydrophobicContact CG-CG 3.9Å; K64-W332 HydrophobicContact CG-CZ2 4.39Å
65	Q	98.7	Very high	98.7	Very high	71 Å²	71	42.7 Å²	42.7	33%	0.332	21%	0.21	S	C	.	.	I	π-helix	trans	-63	-47	179.7	-174.6	60.3	18.7	0	0	112.5	S61 D62 H69 K70 L349	S61-Q65 WeakPolarHBondContact O-CB 3.33Å; S61-Q65 PolarHBondContact O-N 3.2Å; D62-Q65 PolarHBondContact O-N 3.25Å; Q65-H69 WeakPolarHBondContact O-CB 3.37Å; Q65-H69 PolarHBondContact O-N 3.3Å; Q65-H69 PolarHBondContact OE1-CD2 3.22Å; Q65-H69 VanDerWaalsContact OE1-CD2 3.25Å; Q65-K70 PolarHBondContact O-N 2.72Å; Q65-L349 HydrophobicContact CB-CD2 4.32Å; Q65-L349 HydrophobicContact CG-CD1 4.14Å
66	R	98.6	Very high	98.7	Very high	26 Å²	26	43.5 Å²	43.5	10%	0.098	22%	0.216	C	C	.	.	I	π-helix	trans	-69.1	-45.7	-178	-66.6	-174.5	69.1	-176.7	4.1	112.2	D62 K70 G71 E72 L74 Y345 Q348	D62-R66 WeakPolarHBondContact O-CG 3.29Å; D62-R66 PolarHBondContact O-N 2.98Å; R66-K70 CarbonylContact O-C 3.52Å; R66-K70 WeakPolarHBondContact O-CB 3.32Å; R66-K70 PolarHBondContact O-N 2.85Å; R66-G71 PolarHBondContact O-N 3.47Å; R66-E72 HydrophobicContact CB-CB 4.49Å; R66-E72 IonicContact CZ-OE2 3.75Å; R66-E72 IonicContact NE-OE1 3.61Å; R66-E72 IonicContact NE-OE2 2.79Å; R66-E72 PolarHBondContact NE-OE2 3.31Å; R66-E72 IonicContact NH2-OE2 3.9Å; R66-E72 PolarHBondContact NH2-OE2 3.4Å; R66-E72 WeakPolarHBondContact O-CB 3.46Å; R66-E72 PolarHBondContact O-N 2.93Å; R66-L74 HydrophobicContact CB-CD1 3.92Å; R66-L74 VanDerWaalsContact NH2-CD2 3.33Å; R66-Y345 PolarHBondContact NH1-OH 3.26Å; R66-Q348 VanDerWaalsContact CZ-OE1 3.24Å
67	I	98.8	Very high	98.7	Very high	20 Å²	20	43.3 Å²	43.3	10%	0.103	22%	0.215	C	C	.	.	I	π-helix	trans	-84.6	-53	-172.7	-59.2	168.1	0	0	0	111	L63 G71 L74 L103 L104 W332 M335	L63-I67 HydrophobicContact CB-CD1 4.49Å; L63-I67 HydrophobicContact CD2-CD1 4.39Å; L63-I67 VanDerWaalsContact O-CB 3.3Å; L63-I67 WeakPolarHBondContact O-CB 3.24Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 3.05Å; I67-G71 VanDerWaalsContact O-CA 3.3Å; I67-G71 WeakPolarHBondContact O-CA 3.27Å; I67-G71 PolarHBondContact O-N 2.9Å; I67-L74 HydrophobicContact CD1-CD1 4.2Å; I67-L74 HydrophobicContact CG1-CD1 3.93Å; I67-L74 HydrophobicContact CG1-CG 4.15Å; I67-L103 HydrophobicContact CG2-CD1 4.37Å; I67-L103 HydrophobicContact CG2-CD2 3.89Å; I67-L103 HydrophobicContact CG2-CG 4.28Å; I67-L104 HydrophobicContact CD1-CD2 4.12Å; I67-W332 HydrophobicContact CB-CH2 4.14Å; I67-W332 HydrophobicContact CB-CZ3 3.94Å; I67-W332 HydrophobicContact CD1-CZ3 4.28Å; I67-W332 HydrophobicContact CG2-CH2 4.09Å; I67-W332 HydrophobicContact CG2-CZ3 4.18Å; I67-M335 HydrophobicContact CD1-CE 3.56Å
68	K	98.6	Very high	98.7	Very high	95 Å²	95	50.3 Å²	50.3	41%	0.413	25%	0.248	S	C	.	.	I	π-helix	trans	-72.5	-44.6	-175.4	-165.8	-176	178	-176	0	112.3	K64 E328 W332	K64-K68 HydrophobicContact CG-CB 4.37Å; K64-K68 HydrophobicContact CG-CD 4.35Å; K64-K68 WeakPolarHBondContact O-CA 3.2Å; K64-K68 WeakPolarHBondContact O-CB 3.08Å; K64-K68 PolarHBondContact O-N 3.48Å; K68-E328 WeakPolarHBondContact CD-OE1 3.08Å; K68-E328 WeakPolarHBondContact CE-OE1 3.43Å; K68-E328 IonicContact NZ-OE1 3.9Å; K68-E328 PolarHBondContact NZ-OE1 3.19Å; K68-E328 IonicContact NZ-OE2 2.85Å; K68-E328 PolarHBondContact NZ-OE2 2.8Å; K68-W332 HydrophobicContact CB-CH2 3.84Å; K68-W332 HydrophobicContact CB-CZ2 3.63Å; K68-W332 HydrophobicContact CD-CZ2 3.99Å; K68-W332 HydrophobicContact CG-CZ2 4.04Å
69	H	98.3	Very high	98.6	Very high	113 Å²	113	51.9 Å²	51.9	52%	0.523	28%	0.278	S	S	.	.	I	π-helix	trans	-96	-35.6	-169.4	-63.4	-63.5	0	0	0	113.3	K64 Q65	K64-H69 PolarHBondContact O-N 3.48Å; Q65-H69 WeakPolarHBondContact O-CB 3.37Å; Q65-H69 PolarHBondContact O-N 3.3Å; Q65-H69 PolarHBondContact OE1-CD2 3.22Å; Q65-H69 VanDerWaalsContact OE1-CD2 3.25Å
70	K	98.5	Very high	98.6	Very high	128 Å²	128	54.4 Å²	54.4	56%	0.557	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-11.5	175.9	-61.1	178.4	176.2	-179.9	0	114.1	Q65 R66 E72	Q65-K70 PolarHBondContact O-N 2.72Å; R66-K70 CarbonylContact O-C 3.52Å; R66-K70 WeakPolarHBondContact O-CB 3.32Å; R66-K70 PolarHBondContact O-N 2.85Å; K70-E72 VanDerWaalsContact C-N 3.29Å; K70-E72 HydrophobicContact CB-CG 4.04Å; K70-E72 WeakPolarHBondContact CD-OE1 3.3Å; K70-E72 PolarHBondContact O-N 2.85Å
71	G	98.3	Very high	98.6	Very high	63 Å²	63	55.7 Å²	55.7	65%	0.649	30%	0.298	S	S	*	.			trans	71.4	21.9	179.1	0	0	0	0	0	114	R66 I67	R66-G71 PolarHBondContact O-N 3.47Å; I67-G71 VanDerWaalsContact O-CA 3.3Å; I67-G71 WeakPolarHBondContact O-CA 3.27Å; I67-G71 PolarHBondContact O-N 2.9Å
72	E	98.7	Very high	98.7	Very high	58 Å²	58	54.8 Å²	54.8	27%	0.271	29%	0.292	S	S	.	.			trans	-74	142.9	179.5	-61.8	177.1	-135.5	0	0	111.5	R66 K70 L74	R66-E72 HydrophobicContact CB-CB 4.49Å; R66-E72 IonicContact CZ-OE2 3.75Å; R66-E72 IonicContact NE-OE1 3.61Å; R66-E72 IonicContact NE-OE2 2.79Å; R66-E72 PolarHBondContact NE-OE2 3.31Å; R66-E72 IonicContact NH2-OE2 3.9Å; R66-E72 PolarHBondContact NH2-OE2 3.4Å; R66-E72 WeakPolarHBondContact O-CB 3.46Å; R66-E72 PolarHBondContact O-N 2.93Å; K70-E72 VanDerWaalsContact C-N 3.29Å; K70-E72 HydrophobicContact CB-CG 4.04Å; K70-E72 WeakPolarHBondContact CD-OE1 3.3Å; K70-E72 PolarHBondContact O-N 2.85Å; E72-L74 HydrophobicContact CB-CD2 4.2Å; E72-L74 HydrophobicContact CB-CG 4.41Å
73	Y	98.4	Very high	98.7	Very high	146 Å²	146	54.8 Å²	54.8	57%	0.573	29%	0.292	S	S	*	.			trans	-97.8	120.1	167.5	179.1	-118.7	0	0	0	110.1	P75 L103	Y73-P75 HydrophobicContact CD1-CG 4.41Å; Y73-P75 HydrophobicContact CE1-CB 3.78Å; Y73-P75 HydrophobicContact CE1-CG 4.03Å; Y73-P75 WeakPolarHBondContact O-CD 3.27Å; Y73-L103 WeakPolarHBondContact CE2-O 3.35Å
74	L	98.6	Very high	98.6	Very high	14 Å²	14	54.8 Å²	54.8	7%	0.073	29%	0.292	C	S	.	.			trans	-119.7	90.4	-175.2	-56.7	-178.1	0	0	0	110.3	L63 R66 I67 E72 L76 L104	L63-L74 HydrophobicContact CD2-CD1 4.22Å; R66-L74 HydrophobicContact CB-CD1 3.92Å; R66-L74 VanDerWaalsContact NH2-CD2 3.33Å; I67-L74 HydrophobicContact CD1-CD1 4.2Å; I67-L74 HydrophobicContact CG1-CD1 3.93Å; I67-L74 HydrophobicContact CG1-CG 4.15Å; E72-L74 HydrophobicContact CB-CD2 4.2Å; E72-L74 HydrophobicContact CB-CG 4.41Å; L74-L76 HydrophobicContact CB-CD1 4.41Å; L74-L76 HydrophobicContact CB-CG 4.11Å; L74-L76 PolarHBondContact O-N 2.79Å; L74-L104 WeakPolarHBondContact O-CA 3.35Å
75	P	98.6	Very high	98.6	Very high	50 Å²	50	54.1 Å²	54.1	33%	0.325	29%	0.289	S	S	.	.			trans	-77	48.3	-176.7	32.9	-36.7	0	0	0	113.1	Y73 M77 Q78 L104	Y73-P75 HydrophobicContact CD1-CG 4.41Å; Y73-P75 HydrophobicContact CE1-CB 3.78Å; Y73-P75 HydrophobicContact CE1-CG 4.03Å; Y73-P75 WeakPolarHBondContact O-CD 3.27Å; P75-M77 PolarHBondContact O-N 3.39Å; P75-Q78 HydrophobicContact CB-CB 4.22Å; P75-Q78 WeakPolarHBondContact O-CB 3.43Å; P75-Q78 PolarHBondContact O-N 3.47Å; P75-Q78 VanDerWaalsContact O-N 3.11Å; P75-L104 CarbonylContact C-O 3.58Å; P75-L104 WeakPolarHBondContact CA-O 3.42Å
76	L	98.8	Very high	98.6	Very high	44 Å²	44	51.1 Å²	51.1	23%	0.23	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.1	-174.7	-58.2	178.2	0	0	0	113.8	L63 L74 L104 V339 T343 Y345	L63-L76 HydrophobicContact CD2-CD1 4Å; L74-L76 HydrophobicContact CB-CD1 4.41Å; L74-L76 HydrophobicContact CB-CG 4.11Å; L74-L76 PolarHBondContact O-N 2.79Å; L76-L104 HydrophobicContact CD1-CD2 4.33Å; L76-L104 PolarHBondContact N-O 3.23Å; L76-L104 VanDerWaalsContact N-O 3.1Å; L76-V339 HydrophobicContact CB-CG2 4.46Å; L76-V339 HydrophobicContact CD1-CG1 4.07Å; L76-V339 HydrophobicContact CD1-CG2 3.95Å; L76-T343 WeakPolarHBondContact O-CG2 3.34Å; L76-Y345 HydrophobicContact CD1-CD1 4.12Å; L76-Y345 HydrophobicContact CD1-CD2 3.97Å; L76-Y345 HydrophobicContact CD1-CE1 4.42Å; L76-Y345 HydrophobicContact CD1-CE2 4.28Å; L76-Y345 HydrophobicContact CD1-CG 3.88Å; L76-Y345 HydrophobicContact CD2-CD2 3.76Å; L76-Y345 HydrophobicContact CD2-CE2 4.32Å; L76-Y345 HydrophobicContact CD2-CG 4.27Å
77	M	98.7	Very high	98.4	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	14.2	178.4	-62.5	-65.2	145.2	0	0	112.7	P75 G79 K80 F101 L104 G106 M338 V339 L342 T343	P75-M77 PolarHBondContact O-N 3.39Å; M77-G79 PolarHBondContact O-N 3.33Å; M77-K80 WeakPolarHBondContact O-CB 3.41Å; M77-K80 PolarHBondContact O-N 3.44Å; M77-K80 HydrophobicContact SD-CD 3.61Å; M77-F101 HydrophobicContact CB-CE2 4.37Å; M77-F101 HydrophobicContact CB-CZ 4.33Å; M77-F101 HydrophobicContact CG-CD2 4.29Å; M77-F101 HydrophobicContact CG-CE2 3.99Å; M77-F101 HydrophobicContact CG-CZ 4.42Å; M77-F101 HydrophobicContact SD-CE2 3.88Å; M77-F101 HydrophobicContact SD-CZ 4.35Å; M77-L104 WeakPolarHBondContact CA-O 3.42Å; M77-L104 HydrophobicContact CB-CB 3.85Å; M77-L104 WeakPolarHBondContact CB-O 3.1Å; M77-L104 HydrophobicContact CG-CB 3.6Å; M77-L104 HydrophobicContact CG-CD1 3.98Å; M77-L104 HydrophobicContact CG-CG 4.46Å; M77-L104 PolarHBondContact N-O 2.67Å; M77-G106 VanDerWaalsContact O-CA 3.28Å; M77-G106 WeakPolarHBondContact O-CA 3.42Å; M77-G106 PolarHBondContact O-N 2.92Å; M77-M338 HydrophobicContact CE-CB 4.41Å; M77-M338 WeakPolarHBondContact CE-O 3.23Å; M77-V339 HydrophobicContact CE-CB 4.11Å; M77-V339 HydrophobicContact CE-CG2 3.68Å; M77-L342 HydrophobicContact CE-CB 4.16Å; M77-L342 HydrophobicContact SD-CB 4.18Å; M77-L342 HydrophobicContact SD-CD1 3.95Å; M77-T343 HydrophobicContact CE-CG2 3.49Å; M77-T343 VanDerWaalsContact CE-CG2 3.49Å; M77-T343 HydrophobicContact SD-CG2 4.4Å
78	Q	98.8	Very high	98	Very high	149 Å²	149	52.2 Å²	52.2	70%	0.696	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	127.9	179.9	-170.6	173	35	0	0	111.5	P75 K80 G105	P75-Q78 HydrophobicContact CB-CB 4.22Å; P75-Q78 WeakPolarHBondContact O-CB 3.43Å; P75-Q78 PolarHBondContact O-N 3.47Å; P75-Q78 VanDerWaalsContact O-N 3.11Å; Q78-K80 VanDerWaalsContact C-N 3.27Å; Q78-K80 PolarHBondContact O-N 2.91Å; Q78-G105 WeakPolarHBondContact CA-O 3.45Å
79	G	98.5	Very high	97.5	Very high	78 Å²	78	58.4 Å²	58.4	80%	0.804	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	6.7	-178.3	0	0	0	0	0	114.9	M77	M77-G79 PolarHBondContact O-N 3.33Å
80	K	98.8	Very high	97.2	Very high	54 Å²	54	53.9 Å²	53.9	24%	0.235	28%	0.282	C	S	.	.			trans	-101.4	151.5	174.9	-59.7	177.6	-172.3	-100.1	0	112	M77 Q78 F101 G106 H107 N136 L342	M77-K80 WeakPolarHBondContact O-CB 3.41Å; M77-K80 PolarHBondContact O-N 3.44Å; M77-K80 HydrophobicContact SD-CD 3.61Å; Q78-K80 VanDerWaalsContact C-N 3.27Å; Q78-K80 PolarHBondContact O-N 2.91Å; K80-F101 HydrophobicContact CB-CZ 4.06Å; K80-F101 WeakPolarHBondContact O-CE1 3.43Å; K80-G106 CarbonylContact O-C 3.52Å; K80-G106 WeakPolarHBondContact O-CA 3.38Å; K80-H107 PolarHBondContact O-N 2.85Å; K80-N136 WeakPolarHBondContact CA-OD1 3.18Å; K80-N136 HydrophobicContact CB-CB 4.19Å; K80-N136 WeakPolarHBondContact CB-OD1 3.36Å; K80-N136 HydrophobicContact CG-CB 4.46Å; K80-L342 HydrophobicContact CD-CB 4.33Å; K80-L342 PolarHBondContact NZ-O 3.49Å
81	S	98.9	Very high	97.1	Very high	26 Å²	26	52.1 Å²	52.1	18%	0.182	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.2	174.2	55.3	0	0	0	0	112	H107 M134 T135 N136	S81-H107 VanDerWaalsContact CA-O 3.24Å; S81-H107 WeakPolarHBondContact CA-O 3.2Å; S81-M134 PolarHBondContact OG-O 3.33Å; S81-T135 WeakPolarHBondContact OG-CA 3.36Å; S81-N136 PolarHBondContact N-OD1 2.83Å; S81-N136 PolarHBondContact O-N 2.9Å
82	L	98.9	Very high	97.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.7	178.1	173	69.6	0	0	0	109.3	M84 F101 H107 C109 A137 L139 M338	L82-M84 HydrophobicContact CD2-CG 3.75Å; L82-M84 HydrophobicContact CD2-SD 4.06Å; L82-M84 HydrophobicContact CG-CG 3.83Å; L82-F101 HydrophobicContact CB-CD1 3.86Å; L82-F101 HydrophobicContact CB-CD2 4.09Å; L82-F101 HydrophobicContact CB-CE1 3.68Å; L82-F101 HydrophobicContact CB-CE2 3.94Å; L82-F101 HydrophobicContact CB-CG 4.05Å; L82-F101 HydrophobicContact CB-CZ 3.74Å; L82-F101 HydrophobicContact CD2-CB 4.31Å; L82-F101 HydrophobicContact CD2-CD2 4.07Å; L82-F101 HydrophobicContact CD2-CG 4.11Å; L82-H107 PolarHBondContact N-O 2.7Å; L82-C109 PolarHBondContact O-N 2.7Å; L82-A137 HydrophobicContact CD1-CB 3.77Å; L82-L139 HydrophobicContact CD1-CB 4.15Å; L82-M338 HydrophobicContact CD1-CE 3.77Å; L82-M338 HydrophobicContact CD1-SD 3.97Å; L82-M338 HydrophobicContact CD2-CE 3.57Å; L82-M338 HydrophobicContact CD2-SD 4.21Å; L82-M338 HydrophobicContact CG-CE 4.35Å
83	A	98.8	Very high	97.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.4	166.4	0	0	0	0	0	109.6	L111 L131 T135 A137 I138 L139	A83-L111 HydrophobicContact CB-CD1 4.3Å; A83-L131 HydrophobicContact CB-CD1 4.31Å; A83-L131 HydrophobicContact CB-CD2 4.03Å; A83-T135 HydrophobicContact CB-CG2 3.93Å; A83-A137 PolarHBondContact N-O 2.87Å; A83-I138 HydrophobicContact CB-CG1 4.25Å; A83-I138 HydrophobicContact CB-CG2 4.39Å; A83-I138 CarbonylContact O-C 3.54Å; A83-I138 WeakPolarHBondContact O-CA 3.44Å; A83-L139 PolarHBondContact O-N 2.88Å
84	M	98.7	Very high	97.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	94.1	-179.2	-70.1	-169.2	-53.9	0	0	109.7	L82 F86 A97 E98 P108 C109 F110 L111 L139	L82-M84 HydrophobicContact CD2-CG 3.75Å; L82-M84 HydrophobicContact CD2-SD 4.06Å; L82-M84 HydrophobicContact CG-CG 3.83Å; M84-F86 HydrophobicContact CB-CD2 4.31Å; M84-F86 HydrophobicContact CB-CE2 3.93Å; M84-A97 HydrophobicContact SD-CB 3.65Å; M84-E98 HydrophobicContact CE-CB 3.98Å; M84-E98 HydrophobicContact CE-CG 4.07Å; M84-E98 HydrophobicContact SD-CB 4.44Å; M84-P108 HydrophobicContact CE-CB 3.72Å; M84-P108 HydrophobicContact SD-CB 4.22Å; M84-C109 WeakPolarHBondContact CB-O 3.42Å; M84-C109 PolarHBondContact N-O 3.1Å; M84-F110 HydrophobicContact CB-CD2 4.4Å; M84-F110 HydrophobicContact CE-CB 3.9Å; M84-F110 HydrophobicContact CE-CD2 4.21Å; M84-L111 PolarHBondContact O-N 3.4Å; M84-L139 CarbonylContact C-O 3.54Å; M84-L139 WeakPolarHBondContact CA-O 3.3Å
85	I	98.3	Very high	97.1	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.3	-179.3	-53	175.9	0	0	0	110	L111 I116 L118 L131 I138 L139 A140 R141	I85-L111 WeakPolarHBondContact CA-O 3.3Å; I85-L111 HydrophobicContact CG1-CD1 4.48Å; I85-I116 HydrophobicContact CG2-CD1 4.2Å; I85-L118 HydrophobicContact CG2-CD2 4.29Å; I85-L131 HydrophobicContact CD1-CD1 3.64Å; I85-L131 HydrophobicContact CG1-CD1 4.36Å; I85-I138 HydrophobicContact CD1-CG2 3.99Å; I85-I138 HydrophobicContact CG1-CG2 4.35Å; I85-L139 PolarHBondContact N-O 2.96Å; I85-A140 HydrophobicContact CB-CB 4.33Å; I85-A140 WeakPolarHBondContact O-CA 3.4Å; I85-R141 PolarHBondContact O-N 2.78Å
86	F	97.7	Very high	97.1	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	106.3	179.7	-78.6	-108.1	0	0	0	111.8	M84 K88 T93 R94 F110 L111 L139 R141	M84-F86 HydrophobicContact CB-CD2 4.31Å; M84-F86 HydrophobicContact CB-CE2 3.93Å; F86-K88 VanDerWaalsContact C-N 3.34Å; F86-T93 HydrophobicContact CE1-CG2 4.26Å; F86-T93 HydrophobicContact CZ-CG2 3.99Å; F86-R94 HydrophobicContact CE1-CB 4.39Å; F86-R94 HydrophobicContact CZ-CB 4.38Å; F86-F110 HydrophobicContact CB-CE2 3.98Å; F86-F110 HydrophobicContact CB-CZ 4.23Å; F86-F110 HydrophobicContact CD1-CE2 4.32Å; F86-F110 AromaticContact CD2-CD2 3.96Å; F86-F110 HydrophobicContact CD2-CD2 3.96Å; F86-F110 AromaticContact CD2-CE2 3.47Å; F86-F110 HydrophobicContact CD2-CE2 3.47Å; F86-F110 VanDerWaalsContact CD2-CE2 3.47Å; F86-F110 HydrophobicContact CE2-CD2 4.31Å; F86-F110 HydrophobicContact CE2-CE2 4.04Å; F86-F110 AromaticContact CG-CE2 3.66Å; F86-F110 HydrophobicContact CG-CE2 3.66Å; F86-F110 HydrophobicContact CG-CZ 4.34Å; F86-L111 PolarHBondContact N-O 3.01Å; F86-L139 HydrophobicContact CE2-CD2 3.6Å; F86-L139 HydrophobicContact CZ-CD2 3.73Å; F86-R141 HydrophobicContact CD1-CB 3.91Å; F86-R141 HydrophobicContact CD1-CG 4.3Å; F86-R141 HydrophobicContact CE1-CB 4.03Å; F86-R141 HydrophobicContact CG-CB 4.3Å
87	E	94.9	Very high	97.1	Very high	44 Å²	44	45.7 Å²	45.7	21%	0.206	23%	0.232	C	C	.	.	S	Bend	trans	-82.4	-18.5	169.5	-58.5	-176.1	156.6	0	0	112.3	T113 R141 V142 Y143	E87-T113 HydrophobicContact CB-CG2 4.33Å; E87-T113 HydrophobicContact CG-CG2 4.11Å; E87-R141 PolarHBondContact N-O 3.11Å; E87-V142 WeakPolarHBondContact OE2-CA 3.44Å; E87-V142 WeakPolarHBondContact OE2-CB 3.44Å; E87-Y143 HydrophobicContact CB-CD2 3.98Å; E87-Y143 HydrophobicContact CB-CE2 3.91Å; E87-Y143 WeakPolarHBondContact OE2-CD2 3.2Å; E87-Y143 PolarHBondContact OE2-N 3.43Å
88	K	89.9	Confident	97.1	Very high	26 Å²	26	48.2 Å²	48.2	11%	0.113	24%	0.244	C	C	.	.	S	Bend	trans	-127	138.8	-177.8	-62.4	-178.4	91.5	163.5	0	109.7	F86 R141 Y143 M268	F86-K88 VanDerWaalsContact C-N 3.34Å; K88-R141 HydrophobicContact CB-CG 4.34Å; K88-Y143 HydrophobicContact CD-CD1 3.77Å; K88-Y143 HydrophobicContact CD-CD2 4.29Å; K88-Y143 HydrophobicContact CD-CE1 3.53Å; K88-Y143 HydrophobicContact CD-CE2 4.07Å; K88-Y143 HydrophobicContact CD-CG 4.15Å; K88-Y143 HydrophobicContact CG-CD1 4.39Å; K88-Y143 HydrophobicContact CG-CD2 4.18Å; K88-Y143 HydrophobicContact CG-CE1 3.86Å; K88-Y143 HydrophobicContact CG-CE2 3.61Å; K88-Y143 VanDerWaalsContact CG-CZ 3.43Å; K88-M268 HydrophobicContact CB-CE 3.72Å; K88-M268 WeakPolarHBondContact CE-O 3.33Å; K88-M268 HydrophobicContact CG-CE 4.29Å; K88-M268 PolarHBondContact NZ-O 2.98Å
89	R	88.9	Confident	97.1	Very high	224 Å²	224	43.8 Å²	43.8	85%	0.845	23%	0.227	S	C	*	.			trans	-52.8	141.8	173.1	-66.2	-176.4	179.1	-176.9	0.2	111.3	R141 M268	R89-R141 PolarHBondContact O-NH2 2.88Å; R89-M268 HydrophobicContact CB-CE 4.26Å
90	S	92.6	Very high	97.1	Very high	18 Å²	18	40.1 Å²	40.1	13%	0.126	19%	0.189	C	C	.	.			trans	-157.2	128.9	172.3	-172.4	0	0	0	0	110.5	T93 R94 R141	S90-T93 VanDerWaalsContact OG-CB 3.26Å; S90-T93 WeakPolarHBondContact OG-CB 3.31Å; S90-T93 PolarHBondContact OG-N 3Å; S90-T93 PolarHBondContact OG-OG1 2.92Å; S90-R94 WeakPolarHBondContact O-CB 3.5Å; S90-R141 PolarHBondContact OG-NH1 3.2Å
91	T	95.9	Very high	97.1	Very high	91 Å²	91	37.7 Å²	37.7	56%	0.558	18%	0.179	S	C	*	.	S	Bend	trans	-86.8	-51.1	170	-53.6	0	0	0	0	110.5	L95	T91-L95 HydrophobicContact CG2-CD1 3.9Å; T91-L95 WeakPolarHBondContact O-CB 3.4Å; T91-L95 WeakPolarHBondContact O-CG 3.2Å; T91-L95 PolarHBondContact O-N 3.44Å
92	R	98.2	Very high	97.1	Very high	60 Å²	60	38.7 Å²	38.7	23%	0.226	19%	0.188	C	C	.	.	H	α-helix	trans	-69.4	-53	-171.7	-71.1	158	-67.9	-84.8	-10.3	112.5	R94 L95 S96 L304 P305	R92-R94 VanDerWaalsContact C-N 3.29Å; R92-R94 PolarHBondContact O-N 3.4Å; R92-L95 PolarHBondContact O-N 2.82Å; R92-S96 WeakPolarHBondContact O-CB 3.46Å; R92-S96 PolarHBondContact O-N 3.07Å; R92-S96 PolarHBondContact O-OG 3.29Å; R92-L304 PolarHBondContact NE-O 2.84Å; R92-L304 VanDerWaalsContact NE-O 3.16Å; R92-L304 PolarHBondContact NH2-O 2.98Å; R92-P305 VanDerWaalsContact NH2-N 3.12Å
93	T	97.9	Very high	97.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-40.5	178.9	-46.8	0	0	0	0	111	F86 S90 S96 A97 L139 R141 R330	F86-T93 HydrophobicContact CE1-CG2 4.26Å; F86-T93 HydrophobicContact CZ-CG2 3.99Å; S90-T93 VanDerWaalsContact OG-CB 3.26Å; S90-T93 WeakPolarHBondContact OG-CB 3.31Å; S90-T93 PolarHBondContact OG-N 3Å; S90-T93 PolarHBondContact OG-OG1 2.92Å; T93-S96 PolarHBondContact O-OG 2.87Å; T93-A97 WeakPolarHBondContact O-CB 3.42Å; T93-A97 PolarHBondContact O-N 2.82Å; T93-L139 HydrophobicContact CG2-CD2 4.38Å; T93-R141 PolarHBondContact OG1-NH1 3.28Å; T93-R330 PolarHBondContact OG1-NH2 2.93Å
94	R	98.4	Very high	97.1	Very high	84 Å²	84	41.1 Å²	41.1	32%	0.317	20%	0.201	S	C	.	.	H	α-helix	trans	-62.6	-57	178.1	-179.1	-179.7	174	-99.1	-23.2	111.1	F86 S90 R92 S96 A97 E98 F110	F86-R94 HydrophobicContact CE1-CB 4.39Å; F86-R94 HydrophobicContact CZ-CB 4.38Å; S90-R94 WeakPolarHBondContact O-CB 3.5Å; R92-R94 VanDerWaalsContact C-N 3.29Å; R92-R94 PolarHBondContact O-N 3.4Å; R94-S96 PolarHBondContact O-N 2.86Å; R94-A97 PolarHBondContact O-N 3.13Å; R94-E98 IonicContact CZ-OE2 2.67Å; R94-E98 IonicContact NE-OE2 3.32Å; R94-E98 PolarHBondContact NE-OE2 3.43Å; R94-E98 IonicContact NH2-OE1 2.82Å; R94-E98 PolarHBondContact NH2-OE1 3.41Å; R94-E98 IonicContact NH2-OE2 3.01Å; R94-E98 PolarHBondContact NH2-OE2 3.39Å; R94-E98 WeakPolarHBondContact O-CB 3.3Å; R94-E98 PolarHBondContact O-N 3.21Å; R94-F110 HydrophobicContact CG-CD2 4.14Å; R94-F110 HydrophobicContact CG-CE2 3.91Å
95	L	98.8	Very high	97.1	Very high	85 Å²	85	42.2 Å²	42.2	45%	0.445	21%	0.212	S	C	.	.	H	α-helix	trans	-63.2	-40.3	-178.2	-79.1	175.6	0	0	0	112.5	T91 R92 T99	T91-L95 HydrophobicContact CG2-CD1 3.9Å; T91-L95 WeakPolarHBondContact O-CB 3.4Å; T91-L95 WeakPolarHBondContact O-CG 3.2Å; T91-L95 PolarHBondContact O-N 3.44Å; R92-L95 PolarHBondContact O-N 2.82Å; L95-T99 HydrophobicContact CD2-CG2 4.44Å; L95-T99 WeakPolarHBondContact O-CB 3.45Å; L95-T99 WeakPolarHBondContact O-CG2 3.14Å; L95-T99 PolarHBondContact O-N 2.83Å; L95-T99 PolarHBondContact O-OG1 3.12Å
96	S	98.8	Very high	97.2	Very high	9 Å²	9	42.6 Å²	42.6	6%	0.063	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-43	-179.1	73.5	0	0	0	0	111.6	R92 T93 R94 G100	R92-S96 WeakPolarHBondContact O-CB 3.46Å; R92-S96 PolarHBondContact O-N 3.07Å; R92-S96 PolarHBondContact O-OG 3.29Å; T93-S96 PolarHBondContact O-OG 2.87Å; R94-S96 PolarHBondContact O-N 2.86Å; S96-G100 WeakPolarHBondContact O-CA 3.34Å; S96-G100 PolarHBondContact O-N 3.2Å
97	A	98.8	Very high	97.2	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-52.5	176.5	0	0	0	0	0	112	M84 T93 R94 G100 F101 L139 I334	M84-A97 HydrophobicContact SD-CB 3.65Å; T93-A97 WeakPolarHBondContact O-CB 3.42Å; T93-A97 PolarHBondContact O-N 2.82Å; R94-A97 PolarHBondContact O-N 3.13Å; A97-G100 PolarHBondContact O-N 3.41Å; A97-F101 VanDerWaalsContact O-CB 3.25Å; A97-F101 WeakPolarHBondContact O-CB 3.23Å; A97-F101 PolarHBondContact O-N 2.53Å; A97-L139 HydrophobicContact CB-CD1 4.22Å; A97-I334 HydrophobicContact CB-CD1 3.52Å
98	E	98.9	Very high	97.4	Very high	52 Å²	52	47.2 Å²	47.2	24%	0.243	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-53.3	-174	-166.7	174.4	130.8	0	0	110.5	M84 R94 G100 A102 P108	M84-E98 HydrophobicContact CE-CB 3.98Å; M84-E98 HydrophobicContact CE-CG 4.07Å; M84-E98 HydrophobicContact SD-CB 4.44Å; R94-E98 IonicContact CZ-OE2 2.67Å; R94-E98 IonicContact NE-OE2 3.32Å; R94-E98 PolarHBondContact NE-OE2 3.43Å; R94-E98 IonicContact NH2-OE1 2.82Å; R94-E98 PolarHBondContact NH2-OE1 3.41Å; R94-E98 IonicContact NH2-OE2 3.01Å; R94-E98 PolarHBondContact NH2-OE2 3.39Å; R94-E98 WeakPolarHBondContact O-CB 3.3Å; R94-E98 PolarHBondContact O-N 3.21Å; E98-G100 PolarHBondContact O-N 2.93Å; E98-A102 VanDerWaalsContact O-CB 3.32Å; E98-A102 WeakPolarHBondContact O-CB 3.44Å; E98-A102 PolarHBondContact O-N 3.4Å; E98-A102 VanDerWaalsContact O-N 3.15Å; E98-P108 HydrophobicContact CB-CB 4.45Å; E98-P108 HydrophobicContact CB-CG 4.47Å; E98-P108 HydrophobicContact CG-CB 4.09Å; E98-P108 HydrophobicContact CG-CG 3.78Å; E98-P108 WeakPolarHBondContact O-CG 3.35Å
99	T	98.9	Very high	97.8	Very high	57 Å²	57	48.2 Å²	48.2	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-73	-29.1	-179.7	70	0	0	0	0	112.7	L95 L103 K331	L95-T99 HydrophobicContact CD2-CG2 4.44Å; L95-T99 WeakPolarHBondContact O-CB 3.45Å; L95-T99 WeakPolarHBondContact O-CG2 3.14Å; L95-T99 PolarHBondContact O-N 2.83Å; L95-T99 PolarHBondContact O-OG1 3.12Å; T99-L103 WeakPolarHBondContact O-CB 3.3Å; T99-L103 PolarHBondContact O-N 2.89Å; T99-L103 VanDerWaalsContact O-N 3.07Å; T99-K331 WeakPolarHBondContact OG1-CE 3.26Å
100	G	98.9	Very high	98.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-70.9	-46.4	177.9	0	0	0	0	0	112.5	S96 A97 E98 L103 L104 M335	S96-G100 WeakPolarHBondContact O-CA 3.34Å; S96-G100 PolarHBondContact O-N 3.2Å; A97-G100 PolarHBondContact O-N 3.41Å; E98-G100 PolarHBondContact O-N 2.93Å; G100-L103 PolarHBondContact O-N 2.86Å; G100-L104 PolarHBondContact O-N 3.5Å; G100-M335 VanDerWaalsContact CA-CG 3.48Å
101	F	98.9	Very high	98.5	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.013	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-42.1	179.5	-162.2	-99.9	0	0	0	111.7	M77 K80 L82 A97 L103 L104 G106 P108 M338 L342	M77-F101 HydrophobicContact CB-CE2 4.37Å; M77-F101 HydrophobicContact CB-CZ 4.33Å; M77-F101 HydrophobicContact CG-CD2 4.29Å; M77-F101 HydrophobicContact CG-CE2 3.99Å; M77-F101 HydrophobicContact CG-CZ 4.42Å; M77-F101 HydrophobicContact SD-CE2 3.88Å; M77-F101 HydrophobicContact SD-CZ 4.35Å; K80-F101 HydrophobicContact CB-CZ 4.06Å; K80-F101 WeakPolarHBondContact O-CE1 3.43Å; L82-F101 HydrophobicContact CB-CD1 3.86Å; L82-F101 HydrophobicContact CB-CD2 4.09Å; L82-F101 HydrophobicContact CB-CE1 3.68Å; L82-F101 HydrophobicContact CB-CE2 3.94Å; L82-F101 HydrophobicContact CB-CG 4.05Å; L82-F101 HydrophobicContact CB-CZ 3.74Å; L82-F101 HydrophobicContact CD2-CB 4.31Å; L82-F101 HydrophobicContact CD2-CD2 4.07Å; L82-F101 HydrophobicContact CD2-CG 4.11Å; A97-F101 VanDerWaalsContact O-CB 3.25Å; A97-F101 WeakPolarHBondContact O-CB 3.23Å; A97-F101 PolarHBondContact O-N 2.53Å; F101-L103 PolarHBondContact O-N 3.04Å; F101-L104 PolarHBondContact O-N 2.99Å; F101-G106 PolarHBondContact O-N 2.89Å; F101-G106 VanDerWaalsContact O-N 3.08Å; F101-P108 HydrophobicContact CB-CB 4.43Å; F101-P108 HydrophobicContact CD1-CB 4.42Å; F101-M338 HydrophobicContact CD2-CB 4.28Å; F101-M338 HydrophobicContact CD2-CG 4.08Å; F101-M338 HydrophobicContact CD2-SD 4.27Å; F101-M338 HydrophobicContact CE2-CB 4.46Å; F101-M338 HydrophobicContact CE2-SD 4.37Å; F101-L342 HydrophobicContact CE2-CD1 4.16Å
102	A	98.9	Very high	98.5	Very high	47 Å²	47	38.4 Å²	38.4	39%	0.388	21%	0.208	S	C	.	.	H	α-helix	trans	-63.5	-38.8	174.6	0	0	0	0	0	113	E98 L104 G105 G106 P108	E98-A102 VanDerWaalsContact O-CB 3.32Å; E98-A102 WeakPolarHBondContact O-CB 3.44Å; E98-A102 PolarHBondContact O-N 3.4Å; E98-A102 VanDerWaalsContact O-N 3.15Å; A102-L104 PolarHBondContact O-N 3.23Å; A102-G105 WeakPolarHBondContact O-CA 3.39Å; A102-G105 PolarHBondContact O-N 2.85Å; A102-G106 WeakPolarHBondContact CA-O 3.27Å; A102-P108 HydrophobicContact CB-CG 4.24Å
103	L	98.9	Very high	98.2	Very high	51 Å²	51	38.7 Å²	38.7	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-28.3	177.5	-178.1	59	0	0	0	112.7	I67 Y73 T99 G100 F101 G105 M335	I67-L103 HydrophobicContact CG2-CD1 4.37Å; I67-L103 HydrophobicContact CG2-CD2 3.89Å; I67-L103 HydrophobicContact CG2-CG 4.28Å; Y73-L103 WeakPolarHBondContact CE2-O 3.35Å; T99-L103 WeakPolarHBondContact O-CB 3.3Å; T99-L103 PolarHBondContact O-N 2.89Å; T99-L103 VanDerWaalsContact O-N 3.07Å; G100-L103 PolarHBondContact O-N 2.86Å; F101-L103 PolarHBondContact O-N 3.04Å; L103-G105 VanDerWaalsContact C-N 3.26Å; L103-G105 PolarHBondContact O-N 2.94Å; L103-M335 HydrophobicContact CD2-CE 4.14Å; L103-M335 HydrophobicContact CD2-SD 4.37Å
104	L	98.9	Very high	97.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	6.3	173	-62.6	171.5	0	0	0	113.1	L63 I67 L74 P75 L76 M77 G100 F101 A102 M335 V339	L63-L104 HydrophobicContact CD2-CD2 4.4Å; I67-L104 HydrophobicContact CD1-CD2 4.12Å; L74-L104 WeakPolarHBondContact O-CA 3.35Å; P75-L104 CarbonylContact C-O 3.58Å; P75-L104 WeakPolarHBondContact CA-O 3.42Å; L76-L104 HydrophobicContact CD1-CD2 4.33Å; L76-L104 PolarHBondContact N-O 3.23Å; L76-L104 VanDerWaalsContact N-O 3.1Å; M77-L104 WeakPolarHBondContact CA-O 3.42Å; M77-L104 HydrophobicContact CB-CB 3.85Å; M77-L104 WeakPolarHBondContact CB-O 3.1Å; M77-L104 HydrophobicContact CG-CB 3.6Å; M77-L104 HydrophobicContact CG-CD1 3.98Å; M77-L104 HydrophobicContact CG-CG 4.46Å; M77-L104 PolarHBondContact N-O 2.67Å; G100-L104 PolarHBondContact O-N 3.5Å; F101-L104 PolarHBondContact O-N 2.99Å; A102-L104 PolarHBondContact O-N 3.23Å; L104-M335 HydrophobicContact CD1-CB 4.03Å; L104-M335 HydrophobicContact CD1-CE 4.29Å; L104-M335 HydrophobicContact CD1-CG 4.1Å; L104-M335 HydrophobicContact CD2-CE 3.84Å; L104-M335 HydrophobicContact CG-CE 3.93Å; L104-V339 HydrophobicContact CD1-CG2 3.58Å; L104-V339 HydrophobicContact CD2-CG2 4.46Å
105	G	98.8	Very high	97.7	Very high	23 Å²	23	47.8 Å²	47.8	24%	0.237	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	87	7.4	178.6	0	0	0	0	0	115.5	Q78 A102 L103	Q78-G105 WeakPolarHBondContact CA-O 3.45Å; A102-G105 WeakPolarHBondContact O-CA 3.39Å; A102-G105 PolarHBondContact O-N 2.85Å; L103-G105 VanDerWaalsContact C-N 3.26Å; L103-G105 PolarHBondContact O-N 2.94Å
106	G	98.8	Very high	97.5	Very high	11 Å²	11	45.3 Å²	45.3	11%	0.113	25%	0.252	C	S	.	.			trans	-89.3	169.2	176.9	0	0	0	0	0	113.7	M77 K80 F101 A102 P108	M77-G106 VanDerWaalsContact O-CA 3.28Å; M77-G106 WeakPolarHBondContact O-CA 3.42Å; M77-G106 PolarHBondContact O-N 2.92Å; K80-G106 CarbonylContact O-C 3.52Å; K80-G106 WeakPolarHBondContact O-CA 3.38Å; F101-G106 PolarHBondContact O-N 2.89Å; F101-G106 VanDerWaalsContact O-N 3.08Å; A102-G106 WeakPolarHBondContact CA-O 3.27Å; G106-P108 WeakPolarHBondContact O-CD 3.28Å
107	H	98.9	Very high	97.2	Very high	124 Å²	124	49.9 Å²	49.9	57%	0.574	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	106.2	175.4	-176.1	74.4	0	0	0	111.8	K80 S81 L82	K80-H107 PolarHBondContact O-N 2.85Å; S81-H107 VanDerWaalsContact CA-O 3.24Å; S81-H107 WeakPolarHBondContact CA-O 3.2Å; L82-H107 PolarHBondContact N-O 2.7Å
108	P	98.8	Very high	96.8	Very high	24 Å²	24	50.7 Å²	50.7	16%	0.156	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.5	173.6	33	-34.7	0	0	0	111	M84 E98 F101 A102 G106	M84-P108 HydrophobicContact CE-CB 3.72Å; M84-P108 HydrophobicContact SD-CB 4.22Å; E98-P108 HydrophobicContact CB-CB 4.45Å; E98-P108 HydrophobicContact CB-CG 4.47Å; E98-P108 HydrophobicContact CG-CB 4.09Å; E98-P108 HydrophobicContact CG-CG 3.78Å; E98-P108 WeakPolarHBondContact O-CG 3.35Å; F101-P108 HydrophobicContact CB-CB 4.43Å; F101-P108 HydrophobicContact CD1-CB 4.42Å; A102-P108 HydrophobicContact CB-CG 4.24Å; G106-P108 WeakPolarHBondContact O-CD 3.28Å
109	C	98.6	Very high	96	Very high	47 Å²	47	51.7 Å²	51.7	32%	0.318	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	108.6	178.7	-176.4	0	0	0	0	110	L82 M84	L82-C109 PolarHBondContact O-N 2.7Å; M84-C109 WeakPolarHBondContact CB-O 3.42Å; M84-C109 PolarHBondContact N-O 3.1Å
110	F	98.4	Very high	95.5	Very high	70 Å²	70	54 Å²	54	31%	0.307	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.9	-177.2	-175.8	-109.6	0	0	0	111.6	M84 F86 R94 T112	M84-F110 HydrophobicContact CB-CD2 4.4Å; M84-F110 HydrophobicContact CE-CB 3.9Å; M84-F110 HydrophobicContact CE-CD2 4.21Å; F86-F110 HydrophobicContact CB-CE2 3.98Å; F86-F110 HydrophobicContact CB-CZ 4.23Å; F86-F110 HydrophobicContact CD1-CE2 4.32Å; F86-F110 AromaticContact CD2-CD2 3.96Å; F86-F110 HydrophobicContact CD2-CD2 3.96Å; F86-F110 AromaticContact CD2-CE2 3.47Å; F86-F110 HydrophobicContact CD2-CE2 3.47Å; F86-F110 VanDerWaalsContact CD2-CE2 3.47Å; F86-F110 HydrophobicContact CE2-CD2 4.31Å; F86-F110 HydrophobicContact CE2-CE2 4.04Å; F86-F110 AromaticContact CG-CE2 3.66Å; F86-F110 HydrophobicContact CG-CE2 3.66Å; F86-F110 HydrophobicContact CG-CZ 4.34Å; R94-F110 HydrophobicContact CG-CD2 4.14Å; R94-F110 HydrophobicContact CG-CE2 3.91Å; F110-T112 HydrophobicContact CD1-CG2 4.14Å; F110-T112 HydrophobicContact CE1-CG2 3.33Å; F110-T112 HydrophobicContact CZ-CG2 3.68Å
111	L	97.8	Very high	95.2	Very high	27 Å²	27	60.4 Å²	60.4	14%	0.141	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.9	-174.1	-57	174	0	0	0	110	A83 M84 I85 F86 I116 L131	A83-L111 HydrophobicContact CB-CD1 4.3Å; M84-L111 PolarHBondContact O-N 3.4Å; I85-L111 WeakPolarHBondContact CA-O 3.3Å; I85-L111 HydrophobicContact CG1-CD1 4.48Å; F86-L111 PolarHBondContact N-O 3.01Å; L111-I116 HydrophobicContact CB-CG2 3.96Å; L111-I116 HydrophobicContact CD1-CG2 4.24Å; L111-I116 HydrophobicContact CD2-CG2 3.9Å; L111-I116 HydrophobicContact CG-CG2 4.25Å; L111-L131 HydrophobicContact CD1-CD2 4.21Å
112	T	95.9	Very high	95.1	Very high	30 Å²	30	63.3 Å²	63.3	18%	0.184	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	168	172.7	76.5	0	0	0	0	111.3	F110 H114 D115 I116	F110-T112 HydrophobicContact CD1-CG2 4.14Å; F110-T112 HydrophobicContact CE1-CG2 3.33Å; F110-T112 HydrophobicContact CZ-CG2 3.68Å; T112-H114 PolarHBondContact O-N 2.67Å; T112-H114 PolarHBondContact OG1-N 3Å; T112-D115 WeakPolarHBondContact CA-OD2 3.38Å; T112-D115 VanDerWaalsContact CB-OD2 3.26Å; T112-D115 WeakPolarHBondContact CB-OD2 3.42Å; T112-D115 WeakPolarHBondContact CG2-OD2 3.4Å; T112-D115 PolarHBondContact N-OD2 3.14Å; T112-D115 PolarHBondContact O-N 2.7Å; T112-D115 PolarHBondContact OG1-OD2 2.78Å; T112-I116 PolarHBondContact O-N 2.79Å
113	T	91	Very high	94.9	Very high	65 Å²	65	63.4 Å²	63.4	40%	0.399	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.1	172.9	54.8	0	0	0	0	114.2	E87	E87-T113 HydrophobicContact CB-CG2 4.33Å; E87-T113 HydrophobicContact CG-CG2 4.11Å
114	H	92.8	Very high	94.8	Very high	173 Å²	173	62.1 Å²	62.1	80%	0.801	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-15.5	175	-58.3	76.8	0	0	0	112.3	T112	T112-H114 PolarHBondContact O-N 2.67Å; T112-H114 PolarHBondContact OG1-N 3Å
115	D	93.4	Very high	94.7	Very high	103 Å²	103	63.8 Å²	63.8	55%	0.551	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-35	-176.9	-52.9	-54.5	0	0	0	112.1	T112	T112-D115 WeakPolarHBondContact CA-OD2 3.38Å; T112-D115 VanDerWaalsContact CB-OD2 3.26Å; T112-D115 WeakPolarHBondContact CB-OD2 3.42Å; T112-D115 WeakPolarHBondContact CG2-OD2 3.4Å; T112-D115 PolarHBondContact N-OD2 3.14Å; T112-D115 PolarHBondContact O-N 2.7Å; T112-D115 PolarHBondContact OG1-OD2 2.78Å
116	I	93.6	Very high	94.6	Very high	34 Å²	34	66.3 Å²	66.3	17%	0.174	37%	0.372	C	S	.	.	S	Bend	trans	-112.8	161.6	-172.7	68.2	175.5	0	0	0	112.8	I85 L111 T112 L118	I85-I116 HydrophobicContact CG2-CD1 4.2Å; L111-I116 HydrophobicContact CB-CG2 3.96Å; L111-I116 HydrophobicContact CD1-CG2 4.24Å; L111-I116 HydrophobicContact CD2-CG2 3.9Å; L111-I116 HydrophobicContact CG-CG2 4.25Å; T112-I116 PolarHBondContact O-N 2.79Å; I116-L118 VanDerWaalsContact C-N 3.29Å; I116-L118 HydrophobicContact CD1-CB 3.66Å; I116-L118 HydrophobicContact CD1-CD2 4.17Å; I116-L118 HydrophobicContact CG1-CB 3.89Å; I116-L118 PolarHBondContact O-N 2.54Å
117	H	94.5	Very high	94.6	Very high	104 Å²	104	66.2 Å²	66.2	48%	0.481	37%	0.369	S	S	.	.			trans	-79.3	-4.6	-177.9	-69.3	-47.2	0	0	0	115.2	G119 T120 N121 E122	H117-G119 PolarHBondContact O-N 2.84Å; H117-T120 PolarHBondContact O-N 2.83Å; H117-T120 VanDerWaalsContact O-N 3.11Å; H117-T120 PolarHBondContact O-OG1 3.46Å; H117-T120 VanDerWaalsContact O-OG1 3.09Å; H117-N121 HydrophobicContact CB-CB 3.97Å; H117-N121 PolarHBondContact ND1-ND2 3.43Å; H117-N121 PolarHBondContact O-N 3.25Å; H117-E122 HydrophobicContact CB-CB 3.58Å; H117-E122 PolarHBondContact O-N 2.94Å
118	L	90.2	Very high	94.6	Very high	20 Å²	20	60.4 Å²	60.4	11%	0.105	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-53.8	125.3	-175.7	179.5	62.1	0	0	0	112	I85 I116 T120 L124 T127	I85-L118 HydrophobicContact CG2-CD2 4.29Å; I116-L118 VanDerWaalsContact C-N 3.29Å; I116-L118 HydrophobicContact CD1-CB 3.66Å; I116-L118 HydrophobicContact CD1-CD2 4.17Å; I116-L118 HydrophobicContact CG1-CB 3.89Å; I116-L118 PolarHBondContact O-N 2.54Å; L118-T120 PolarHBondContact O-N 2.88Å; L118-L124 HydrophobicContact CD1-CB 3.92Å; L118-L124 HydrophobicContact CD1-CD1 3.52Å; L118-L124 HydrophobicContact CD1-CG 4.31Å; L118-L124 HydrophobicContact CD2-CD1 4.15Å; L118-T127 HydrophobicContact CD1-CG2 4.47Å
119	G	81.8	Confident	94.5	Very high	72 Å²	72	65.8 Å²	65.8	74%	0.742	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-5.8	175.8	0	0	0	0	0	115	H117 E122	H117-G119 PolarHBondContact O-N 2.84Å; G119-E122 PolarHBondContact N-O 3.47Å
120	T	87.8	Confident	94.5	Very high	106 Å²	106	66.4 Å²	66.4	65%	0.65	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-64.9	175.5	52.3	0	0	0	0	111.2	H117 L118	H117-T120 PolarHBondContact O-N 2.83Å; H117-T120 VanDerWaalsContact O-N 3.11Å; H117-T120 PolarHBondContact O-OG1 3.46Å; H117-T120 VanDerWaalsContact O-OG1 3.09Å; L118-T120 PolarHBondContact O-N 2.88Å
121	N	93.2	Very high	94.5	Very high	134 Å²	134	64.2 Å²	64.2	72%	0.717	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-6.9	-175.3	-63.2	-22.1	0	0	0	113.2	H117	H117-N121 HydrophobicContact CB-CB 3.97Å; H117-N121 PolarHBondContact ND1-ND2 3.43Å; H117-N121 PolarHBondContact O-N 3.25Å
122	E	95.6	Very high	94.6	Very high	64 Å²	64	63.5 Å²	63.5	30%	0.299	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-141.8	144	-175.2	-167.5	168.3	-153.3	0	0	112	H117 G119 D126	H117-E122 HydrophobicContact CB-CB 3.58Å; H117-E122 PolarHBondContact O-N 2.94Å; G119-E122 PolarHBondContact N-O 3.47Å; E122-D126 HydrophobicContact CG-CB 3.99Å
123	S	96.3	Very high	94.7	Very high	50 Å²	50	66.6 Å²	66.6	35%	0.35	37%	0.373	S	S	.	.			trans	-76.1	155.9	176.8	82.2	0	0	0	0	111.2	T125 D126 T127	S123-T125 VanDerWaalsContact C-N 3.26Å; S123-T125 PolarHBondContact O-N 3.41Å; S123-D126 PolarHBondContact O-N 2.9Å; S123-D126 PolarHBondContact OG-N 2.76Å; S123-D126 VanDerWaalsContact OG-N 3.09Å; S123-D126 PolarHBondContact OG-OD2 3Å; S123-T127 WeakPolarHBondContact O-CB 3.11Å; S123-T127 PolarHBondContact O-N 2.88Å; S123-T127 PolarHBondContact O-OG1 3.12Å
124	L	95.4	Very high	95.1	Very high	23 Å²	23	69.9 Å²	69.9	12%	0.12	39%	0.386	C	S	.	.	H	α-helix	trans	-65.9	-32.6	175.8	-175.1	57.7	0	0	0	112.2	L118 A128 D147 L150 M151	L118-L124 HydrophobicContact CD1-CB 3.92Å; L118-L124 HydrophobicContact CD1-CD1 3.52Å; L118-L124 HydrophobicContact CD1-CG 4.31Å; L118-L124 HydrophobicContact CD2-CD1 4.15Å; L124-A128 WeakPolarHBondContact O-CB 3.44Å; L124-A128 PolarHBondContact O-N 2.68Å; L124-D147 HydrophobicContact CD2-CB 3.65Å; L124-D147 WeakPolarHBondContact CD2-O 3.4Å; L124-L150 HydrophobicContact CB-CD2 4.18Å; L124-L150 HydrophobicContact CD2-CB 4.33Å; L124-L150 HydrophobicContact CD2-CD2 4.13Å; L124-L150 HydrophobicContact CD2-CG 4.43Å; L124-L150 HydrophobicContact CG-CD2 4.38Å; L124-M151 HydrophobicContact CD1-CE 3.61Å; L124-M151 HydrophobicContact CD1-CG 3.64Å; L124-M151 HydrophobicContact CD1-SD 4.13Å; L124-M151 HydrophobicContact CD2-CE 4.08Å; L124-M151 HydrophobicContact CD2-CG 4.05Å; L124-M151 HydrophobicContact CG-CE 4.43Å; L124-M151 HydrophobicContact CG-CG 3.93Å
125	T	97	Very high	95.3	Very high	36 Å²	36	62.4 Å²	62.4	22%	0.221	35%	0.352	C	S	.	.	H	α-helix	trans	-61.4	-49.1	175.5	-61.4	0	0	0	0	111.8	S123 A128 R129 E154	S123-T125 VanDerWaalsContact C-N 3.26Å; S123-T125 PolarHBondContact O-N 3.41Å; T125-A128 PolarHBondContact O-N 2.82Å; T125-R129 WeakPolarHBondContact O-CG 3.3Å; T125-R129 PolarHBondContact O-N 3.07Å; T125-E154 HydrophobicContact CG2-CB 4.32Å; T125-E154 HydrophobicContact CG2-CG 3.71Å; T125-E154 WeakPolarHBondContact CG2-OE2 3.45Å
126	D	97.9	Very high	95.6	Very high	76 Å²	76	60.2 Å²	60.2	41%	0.406	34%	0.341	S	S	.	.	H	α-helix	trans	-66.9	-43.7	179.7	-59.5	-39.4	0	0	0	110.5	E122 S123 A128 R129 V130	E122-D126 HydrophobicContact CG-CB 3.99Å; S123-D126 PolarHBondContact O-N 2.9Å; S123-D126 PolarHBondContact OG-N 2.76Å; S123-D126 VanDerWaalsContact OG-N 3.09Å; S123-D126 PolarHBondContact OG-OD2 3Å; D126-A128 VanDerWaalsContact C-N 3.34Å; D126-A128 PolarHBondContact O-N 2.91Å; D126-R129 PolarHBondContact O-N 2.71Å; D126-V130 WeakPolarHBondContact O-CG2 3.38Å; D126-V130 PolarHBondContact O-N 3.25Å
127	T	97.9	Very high	95.8	Very high	9 Å²	9	58.6 Å²	58.6	6%	0.055	33%	0.332	C	S	.	.	H	α-helix	trans	-54.2	-49	175	-58.2	0	0	0	0	111.4	L118 S123 R129 V130 L131	L118-T127 HydrophobicContact CD1-CG2 4.47Å; S123-T127 WeakPolarHBondContact O-CB 3.11Å; S123-T127 PolarHBondContact O-N 2.88Å; S123-T127 PolarHBondContact O-OG1 3.12Å; T127-R129 PolarHBondContact O-N 2.94Å; T127-V130 PolarHBondContact O-N 2.97Å; T127-L131 HydrophobicContact CG2-CD1 3.89Å; T127-L131 HydrophobicContact CG2-CG 4.37Å; T127-L131 WeakPolarHBondContact O-CB 3.43Å; T127-L131 VanDerWaalsContact O-CG 3.29Å; T127-L131 WeakPolarHBondContact O-CG 3.41Å; T127-L131 PolarHBondContact O-N 3.39Å
128	A	97.8	Very high	96.1	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-40.9	-179.1	0	0	0	0	0	112.4	L124 T125 D126 S132 M151 E154 A155	L124-A128 WeakPolarHBondContact O-CB 3.44Å; L124-A128 PolarHBondContact O-N 2.68Å; T125-A128 PolarHBondContact O-N 2.82Å; D126-A128 VanDerWaalsContact C-N 3.34Å; D126-A128 PolarHBondContact O-N 2.91Å; A128-S132 WeakPolarHBondContact O-CB 3.5Å; A128-S132 PolarHBondContact O-N 2.86Å; A128-S132 PolarHBondContact O-OG 3.47Å; A128-M151 HydrophobicContact CB-CG 4.48Å; A128-E154 HydrophobicContact CB-CB 3.98Å; A128-A155 HydrophobicContact CB-CB 4.36Å
129	R	98.4	Very high	96.5	Very high	138 Å²	138	52.8 Å²	52.8	52%	0.521	31%	0.305	S	S	.	.	H	α-helix	trans	-68.2	-43.9	177.6	-69.4	174.6	-177.6	-171.5	1.5	112.3	T125 D126 T127 S132 S133 E154	T125-R129 WeakPolarHBondContact O-CG 3.3Å; T125-R129 PolarHBondContact O-N 3.07Å; D126-R129 PolarHBondContact O-N 2.71Å; T127-R129 PolarHBondContact O-N 2.94Å; R129-S132 PolarHBondContact O-N 3.11Å; R129-S133 PolarHBondContact O-N 3.43Å; R129-E154 IonicContact CZ-OE2 3.33Å; R129-E154 IonicContact NE-OE2 3.09Å; R129-E154 PolarHBondContact NE-OE2 2.8Å; R129-E154 VanDerWaalsContact NE-OE2 3.09Å; R129-E154 IonicContact NH2-OE2 2.73Å; R129-E154 PolarHBondContact NH2-OE2 3.17Å
130	V	98.6	Very high	97.3	Very high	60 Å²	60	49.3 Å²	49.3	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-50.5	176.9	171	0	0	0	0	109.9	D126 T127 S132 S133 M134	D126-V130 WeakPolarHBondContact O-CG2 3.38Å; D126-V130 PolarHBondContact O-N 3.25Å; T127-V130 PolarHBondContact O-N 2.97Å; V130-S132 VanDerWaalsContact C-N 3.28Å; V130-S132 PolarHBondContact O-N 2.97Å; V130-S133 PolarHBondContact O-N 3Å; V130-S133 VanDerWaalsContact O-N 3.07Å; V130-S133 PolarHBondContact O-OG 3.49Å; V130-M134 HydrophobicContact CG1-CE 3.81Å; V130-M134 HydrophobicContact CG1-SD 4.01Å; V130-M134 PolarHBondContact O-N 2.92Å
131	L	98.3	Very high	97.8	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.12	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-35.6	-179.7	-70.9	177.9	0	0	0	112.9	A83 I85 L111 T127 S133 M134 T135 I138	A83-L131 HydrophobicContact CB-CD1 4.31Å; A83-L131 HydrophobicContact CB-CD2 4.03Å; I85-L131 HydrophobicContact CD1-CD1 3.64Å; I85-L131 HydrophobicContact CG1-CD1 4.36Å; L111-L131 HydrophobicContact CD1-CD2 4.21Å; T127-L131 HydrophobicContact CG2-CD1 3.89Å; T127-L131 HydrophobicContact CG2-CG 4.37Å; T127-L131 WeakPolarHBondContact O-CB 3.43Å; T127-L131 VanDerWaalsContact O-CG 3.29Å; T127-L131 WeakPolarHBondContact O-CG 3.41Å; T127-L131 PolarHBondContact O-N 3.39Å; L131-S133 PolarHBondContact O-N 3.29Å; L131-M134 PolarHBondContact O-N 3.01Å; L131-M134 VanDerWaalsContact O-N 3.17Å; L131-T135 PolarHBondContact O-N 2.98Å; L131-T135 PolarHBondContact O-OG1 3.47Å; L131-I138 HydrophobicContact CB-CD1 3.56Å; L131-I138 HydrophobicContact CB-CG1 4.19Å; L131-I138 HydrophobicContact CD1-CD1 3.97Å; L131-I138 HydrophobicContact CD1-CG1 4.47Å; L131-I138 HydrophobicContact CG-CD1 4.44Å
132	S	98.4	Very high	97.9	Very high	13 Å²	13	39 Å²	39	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-30.1	176	-61.6	0	0	0	0	113.5	A128 R129 V130 A155 T156	A128-S132 WeakPolarHBondContact O-CB 3.5Å; A128-S132 PolarHBondContact O-N 2.86Å; A128-S132 PolarHBondContact O-OG 3.47Å; R129-S132 PolarHBondContact O-N 3.11Å; V130-S132 VanDerWaalsContact C-N 3.28Å; V130-S132 PolarHBondContact O-N 2.97Å; S132-A155 WeakPolarHBondContact OG-CA 3.31Å; S132-A155 VanDerWaalsContact OG-CB 3.27Å; S132-A155 WeakPolarHBondContact OG-CB 3.29Å; S132-T156 WeakPolarHBondContact CB-OG1 3.48Å; S132-T156 PolarHBondContact OG-N 3.12Å
133	S	98.5	Very high	97.8	Very high	95 Å²	95	41 Å²	41	66%	0.664	21%	0.214	S	C	*	.	H	α-helix	trans	-81.5	-20.5	177.7	74.8	0	0	0	0	113.7	R129 V130 L131	R129-S133 PolarHBondContact O-N 3.43Å; V130-S133 PolarHBondContact O-N 3Å; V130-S133 VanDerWaalsContact O-N 3.07Å; V130-S133 PolarHBondContact O-OG 3.49Å; L131-S133 PolarHBondContact O-N 3.29Å
134	M	98.8	Very high	97.8	Very high	133 Å²	133	44.4 Å²	44.4	66%	0.655	22%	0.222	S	C	*	.	H	α-helix	trans	-109.4	-16.4	-172.1	-63.2	-175.3	-178.3	0	0	113.9	S81 V130 L131	S81-M134 PolarHBondContact OG-O 3.33Å; V130-M134 HydrophobicContact CG1-CE 3.81Å; V130-M134 HydrophobicContact CG1-SD 4.01Å; V130-M134 PolarHBondContact O-N 2.92Å; L131-M134 PolarHBondContact O-N 3.01Å; L131-M134 VanDerWaalsContact O-N 3.17Å
135	T	98.8	Very high	97.9	Very high	16 Å²	16	44.3 Å²	44.3	10%	0.098	22%	0.221	C	C	.	.			trans	-133.7	167.9	-175.6	67.3	0	0	0	0	112.3	S81 A83 L131 A137	S81-T135 WeakPolarHBondContact OG-CA 3.36Å; A83-T135 HydrophobicContact CB-CG2 3.93Å; L131-T135 PolarHBondContact O-N 2.98Å; L131-T135 PolarHBondContact O-OG1 3.47Å; T135-A137 PolarHBondContact OG1-O 2.89Å
136	N	98.9	Very high	98	Very high	58 Å²	58	46.5 Å²	46.5	31%	0.31	24%	0.235	S	C	.	.	S	Bend	trans	-100.8	-13.3	179.8	-58.9	102.3	0	0	0	113.4	K80 S81 L342	K80-N136 WeakPolarHBondContact CA-OD1 3.18Å; K80-N136 HydrophobicContact CB-CB 4.19Å; K80-N136 WeakPolarHBondContact CB-OD1 3.36Å; K80-N136 HydrophobicContact CG-CB 4.46Å; S81-N136 PolarHBondContact N-OD1 2.83Å; S81-N136 PolarHBondContact O-N 2.9Å; N136-L342 WeakPolarHBondContact O-CD2 3.31Å
137	A	98.9	Very high	98	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	160.9	175.1	0	0	0	0	0	109.7	L82 A83 T135 P158 L342	L82-A137 HydrophobicContact CD1-CB 3.77Å; A83-A137 PolarHBondContact N-O 2.87Å; T135-A137 PolarHBondContact OG1-O 2.89Å; A137-P158 WeakPolarHBondContact CA-O 3.38Å; A137-P158 HydrophobicContact CB-CB 4.47Å; A137-L342 HydrophobicContact CB-CD1 3.99Å; A137-L342 HydrophobicContact CB-CD2 4.16Å
138	I	98.9	Very high	98	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.2	174.8	-53.1	174	0	0	0	108.4	A83 I85 L131 A140 V157 P158 I159 I160	A83-I138 HydrophobicContact CB-CG1 4.25Å; A83-I138 HydrophobicContact CB-CG2 4.39Å; A83-I138 CarbonylContact O-C 3.54Å; A83-I138 WeakPolarHBondContact O-CA 3.44Å; I85-I138 HydrophobicContact CD1-CG2 3.99Å; I85-I138 HydrophobicContact CG1-CG2 4.35Å; L131-I138 HydrophobicContact CB-CD1 3.56Å; L131-I138 HydrophobicContact CB-CG1 4.19Å; L131-I138 HydrophobicContact CD1-CD1 3.97Å; L131-I138 HydrophobicContact CD1-CG1 4.47Å; L131-I138 HydrophobicContact CG-CD1 4.44Å; I138-A140 HydrophobicContact CG2-CB 4.49Å; I138-V157 HydrophobicContact CD1-CG2 4.19Å; I138-V157 HydrophobicContact CG1-CG2 4.01Å; I138-P158 PolarHBondContact N-O 3.29Å; I138-I159 HydrophobicContact CB-CD1 3.71Å; I138-I159 HydrophobicContact CD1-CD1 3.74Å; I138-I159 HydrophobicContact CG1-CD1 4.05Å; I138-I159 HydrophobicContact CG2-CD1 4.45Å; I138-I159 CarbonylContact O-C 3.5Å; I138-I159 WeakPolarHBondContact O-CA 3.3Å; I138-I160 PolarHBondContact O-N 2.98Å
139	L	98.9	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.1	163.1	179.4	148.2	0	0	0	108.4	L82 A83 M84 I85 F86 T93 A97 I160 L170 I334 M338	L82-L139 HydrophobicContact CD1-CB 4.15Å; A83-L139 PolarHBondContact O-N 2.88Å; M84-L139 CarbonylContact C-O 3.54Å; M84-L139 WeakPolarHBondContact CA-O 3.3Å; I85-L139 PolarHBondContact N-O 2.96Å; F86-L139 HydrophobicContact CE2-CD2 3.6Å; F86-L139 HydrophobicContact CZ-CD2 3.73Å; T93-L139 HydrophobicContact CG2-CD2 4.38Å; A97-L139 HydrophobicContact CB-CD1 4.22Å; L139-I160 WeakPolarHBondContact CA-O 3.48Å; L139-I160 HydrophobicContact CB-CB 4.42Å; L139-I160 HydrophobicContact CD1-CG2 4.2Å; L139-I160 HydrophobicContact CG-CG2 4.48Å; L139-L170 HydrophobicContact CD1-CD1 4.06Å; L139-I334 HydrophobicContact CD1-CD1 3.53Å; L139-I334 HydrophobicContact CD1-CG1 4.49Å; L139-M338 HydrophobicContact CB-CE 4.4Å; L139-M338 HydrophobicContact CD1-CE 4.06Å
140	A	98.6	Very high	98	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.9	-178.7	0	0	0	0	0	111	I85 I138 V142 L148 M151 I160 G162	I85-A140 HydrophobicContact CB-CB 4.33Å; I85-A140 WeakPolarHBondContact O-CA 3.4Å; I138-A140 HydrophobicContact CG2-CB 4.49Å; A140-V142 HydrophobicContact CB-CG1 4.09Å; A140-L148 HydrophobicContact CB-CD2 3.59Å; A140-M151 HydrophobicContact CB-CE 3.98Å; A140-M151 HydrophobicContact CB-SD 3.95Å; A140-I160 PolarHBondContact N-O 2.75Å; A140-G162 PolarHBondContact O-N 3.18Å
141	R	98.1	Very high	97.9	Very high	23 Å²	23	41.6 Å²	41.6	9%	0.087	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	104.6	168.9	174.1	167.7	176	137.5	-7	108.1	I85 F86 E87 K88 R89 S90 T93 L163	I85-R141 PolarHBondContact O-N 2.78Å; F86-R141 HydrophobicContact CD1-CB 3.91Å; F86-R141 HydrophobicContact CD1-CG 4.3Å; F86-R141 HydrophobicContact CE1-CB 4.03Å; F86-R141 HydrophobicContact CG-CB 4.3Å; E87-R141 PolarHBondContact N-O 3.11Å; K88-R141 HydrophobicContact CB-CG 4.34Å; R89-R141 PolarHBondContact O-NH2 2.88Å; S90-R141 PolarHBondContact OG-NH1 3.2Å; T93-R141 PolarHBondContact OG1-NH1 3.28Å; R141-L163 WeakPolarHBondContact CA-O 3.42Å; R141-L163 HydrophobicContact CG-CB 4.08Å; R141-L163 HydrophobicContact CG-CD2 4.36Å
142	V	96.6	Very high	97.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.			trans	-119.3	170.4	-169.8	-61.5	0	0	0	0	111.4	E87 A140 K144 L148 M151 L163	E87-V142 WeakPolarHBondContact OE2-CA 3.44Å; E87-V142 WeakPolarHBondContact OE2-CB 3.44Å; A140-V142 HydrophobicContact CB-CG1 4.09Å; V142-K144 VanDerWaalsContact CG2-O 3.26Å; V142-K144 WeakPolarHBondContact CG2-O 3.32Å; V142-L148 HydrophobicContact CG1-CD2 4.26Å; V142-L148 HydrophobicContact CG2-CD1 4Å; V142-L148 HydrophobicContact CG2-CD2 4.01Å; V142-L148 HydrophobicContact CG2-CG 3.69Å; V142-M151 HydrophobicContact CG1-CE 3.83Å; V142-L163 PolarHBondContact N-O 2.82Å
143	Y	93.9	Very high	97.8	Very high	107 Å²	107	49.3 Å²	49.3	42%	0.42	25%	0.25	S	S	.	.	S	Bend	trans	-75.1	-63.3	164	-70.6	-90.8	0	0	0	110.9	E87 K88 D165	E87-Y143 HydrophobicContact CB-CD2 3.98Å; E87-Y143 HydrophobicContact CB-CE2 3.91Å; E87-Y143 WeakPolarHBondContact OE2-CD2 3.2Å; E87-Y143 PolarHBondContact OE2-N 3.43Å; K88-Y143 HydrophobicContact CD-CD1 3.77Å; K88-Y143 HydrophobicContact CD-CD2 4.29Å; K88-Y143 HydrophobicContact CD-CE1 3.53Å; K88-Y143 HydrophobicContact CD-CE2 4.07Å; K88-Y143 HydrophobicContact CD-CG 4.15Å; K88-Y143 HydrophobicContact CG-CD1 4.39Å; K88-Y143 HydrophobicContact CG-CD2 4.18Å; K88-Y143 HydrophobicContact CG-CE1 3.86Å; K88-Y143 HydrophobicContact CG-CE2 3.61Å; K88-Y143 VanDerWaalsContact CG-CZ 3.43Å; Y143-D165 WeakPolarHBondContact O-CB 3.29Å; Y143-D165 PolarHBondContact O-N 3.19Å
144	K	96.3	Very high	97.8	Very high	121 Å²	121	46.5 Å²	46.5	53%	0.526	23%	0.226	S	C	.	.			trans	-91.5	131.1	-169.1	-59.3	175.2	-177.7	173.3	0	111.9	V142 T146 D147	V142-K144 VanDerWaalsContact CG2-O 3.26Å; V142-K144 WeakPolarHBondContact CG2-O 3.32Å; K144-T146 PolarHBondContact O-N 3.27Å; K144-D147 WeakPolarHBondContact O-CB 3.36Å; K144-D147 PolarHBondContact O-N 2.93Å; K144-D147 VanDerWaalsContact O-N 3.14Å
145	H	97.6	Very high	97.8	Very high	20 Å²	20	40.9 Å²	40.9	9%	0.093	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-32.1	173.3	-164.1	68.7	0	0	0	113.2	D147 L148 D149 S164 D165 Y167	H145-D147 PolarHBondContact O-N 3.48Å; H145-D147 VanDerWaalsContact O-N 3.16Å; H145-L148 WeakPolarHBondContact O-CB 3.38Å; H145-L148 PolarHBondContact O-N 2.81Å; H145-D149 IonicContact CD2-OD2 3.64Å; H145-D149 IonicContact NE2-OD1 3.96Å; H145-D149 PolarHBondContact O-N 3.05Å; H145-S164 PolarHBondContact ND1-OG 3.41Å; H145-S164 VanDerWaalsContact ND1-OG 3.12Å; H145-D165 PolarHBondContact N-OD1 3.36Å; H145-Y167 AromaticContact CE1-CD2 3.52Å; H145-Y167 AromaticContact ND1-CD2 3.68Å; H145-Y167 AromaticContact NE2-CD2 3.84Å; H145-Y167 AromaticContact NE2-CE2 3.84Å
146	T	97.8	Very high	97.8	Very high	83 Å²	83	46.1 Å²	46.1	51%	0.509	23%	0.233	S	C	.	.	H	α-helix	trans	-60.9	-25	178.5	54.3	0	0	0	0	113.8	K144 L148 D149 L150	K144-T146 PolarHBondContact O-N 3.27Å; T146-L148 VanDerWaalsContact C-N 3.33Å; T146-D149 PolarHBondContact O-N 2.8Å; T146-L150 PolarHBondContact O-N 2.83Å
147	D	97.8	Very high	97.8	Very high	40 Å²	40	44.4 Å²	44.4	21%	0.214	23%	0.225	C	C	.	.	H	α-helix	trans	-70.7	-35.4	176.9	-62.4	-15.5	0	0	0	109.8	L124 K144 H145 L150 M151	L124-D147 HydrophobicContact CD2-CB 3.65Å; L124-D147 WeakPolarHBondContact CD2-O 3.4Å; K144-D147 WeakPolarHBondContact O-CB 3.36Å; K144-D147 PolarHBondContact O-N 2.93Å; K144-D147 VanDerWaalsContact O-N 3.14Å; H145-D147 PolarHBondContact O-N 3.48Å; H145-D147 VanDerWaalsContact O-N 3.16Å; D147-L150 PolarHBondContact O-N 3.23Å; D147-M151 HydrophobicContact CB-CE 4.42Å; D147-M151 VanDerWaalsContact O-CG 3.31Å; D147-M151 WeakPolarHBondContact O-CG 3.42Å; D147-M151 PolarHBondContact O-N 2.94Å
148	L	98.3	Very high	97.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.7	-39	172.4	-59.7	172.4	0	0	0	112.1	L43 A140 V142 H145 T146 L150 M151 T152 I159 N161	L43-L148 HydrophobicContact CD2-CB 4.15Å; A140-L148 HydrophobicContact CB-CD2 3.59Å; V142-L148 HydrophobicContact CG1-CD2 4.26Å; V142-L148 HydrophobicContact CG2-CD1 4Å; V142-L148 HydrophobicContact CG2-CD2 4.01Å; V142-L148 HydrophobicContact CG2-CG 3.69Å; H145-L148 WeakPolarHBondContact O-CB 3.38Å; H145-L148 PolarHBondContact O-N 2.81Å; T146-L148 VanDerWaalsContact C-N 3.33Å; L148-L150 VanDerWaalsContact C-N 3.32Å; L148-L150 PolarHBondContact O-N 3.47Å; L148-M151 HydrophobicContact CD2-CE 4.35Å; L148-M151 PolarHBondContact O-N 3Å; L148-T152 WeakPolarHBondContact O-CB 3.49Å; L148-T152 PolarHBondContact O-N 3.4Å; L148-T152 PolarHBondContact O-OG1 3.09Å; L148-I159 HydrophobicContact CD2-CG2 4.27Å; L148-N161 HydrophobicContact CD1-CB 3.72Å
149	D	98.1	Very high	97.8	Very high	77 Å²	77	44.8 Å²	44.8	41%	0.412	23%	0.227	S	C	.	.	H	α-helix	trans	-60.9	-43.5	174.9	-66.2	-42.1	0	0	0	110.9	H145 T146 T152 K153	H145-D149 IonicContact CD2-OD2 3.64Å; H145-D149 IonicContact NE2-OD1 3.96Å; H145-D149 PolarHBondContact O-N 3.05Å; T146-D149 PolarHBondContact O-N 2.8Å; D149-T152 PolarHBondContact O-N 3.12Å; D149-K153 PolarHBondContact O-N 3.34Å; D149-K153 VanDerWaalsContact O-N 3.14Å
150	L	97.6	Very high	97.8	Very high	61 Å²	61	44.9 Å²	44.9	32%	0.319	23%	0.228	S	C	.	.	H	α-helix	trans	-65.9	-44.8	176	-179.1	58.3	0	0	0	111.8	L124 T146 D147 L148 T152 K153 E154	L124-L150 HydrophobicContact CB-CD2 4.18Å; L124-L150 HydrophobicContact CD2-CB 4.33Å; L124-L150 HydrophobicContact CD2-CD2 4.13Å; L124-L150 HydrophobicContact CD2-CG 4.43Å; L124-L150 HydrophobicContact CG-CD2 4.38Å; T146-L150 PolarHBondContact O-N 2.83Å; D147-L150 PolarHBondContact O-N 3.23Å; L148-L150 VanDerWaalsContact C-N 3.32Å; L148-L150 PolarHBondContact O-N 3.47Å; L150-T152 VanDerWaalsContact C-N 3.27Å; L150-T152 PolarHBondContact O-N 3.04Å; L150-K153 PolarHBondContact O-N 3.32Å; L150-E154 HydrophobicContact CD1-CG 4.04Å; L150-E154 WeakPolarHBondContact O-CG 3.33Å; L150-E154 PolarHBondContact O-N 2.82Å
151	M	97.6	Very high	97.8	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-56.2	-44	174.9	-75.5	-177.6	-134	0	0	111.3	L124 A128 A140 V142 D147 L148 K153 E154 A155 I159	L124-M151 HydrophobicContact CD1-CE 3.61Å; L124-M151 HydrophobicContact CD1-CG 3.64Å; L124-M151 HydrophobicContact CD1-SD 4.13Å; L124-M151 HydrophobicContact CD2-CE 4.08Å; L124-M151 HydrophobicContact CD2-CG 4.05Å; L124-M151 HydrophobicContact CG-CE 4.43Å; L124-M151 HydrophobicContact CG-CG 3.93Å; A128-M151 HydrophobicContact CB-CG 4.48Å; A140-M151 HydrophobicContact CB-CE 3.98Å; A140-M151 HydrophobicContact CB-SD 3.95Å; V142-M151 HydrophobicContact CG1-CE 3.83Å; D147-M151 HydrophobicContact CB-CE 4.42Å; D147-M151 VanDerWaalsContact O-CG 3.31Å; D147-M151 WeakPolarHBondContact O-CG 3.42Å; D147-M151 PolarHBondContact O-N 2.94Å; L148-M151 HydrophobicContact CD2-CE 4.35Å; L148-M151 PolarHBondContact O-N 3Å; M151-K153 VanDerWaalsContact C-N 3.29Å; M151-K153 PolarHBondContact O-N 3.21Å; M151-E154 PolarHBondContact O-N 3.04Å; M151-A155 WeakPolarHBondContact O-CB 3.34Å; M151-A155 PolarHBondContact O-N 2.83Å; M151-I159 HydrophobicContact CB-CD1 4.25Å; M151-I159 HydrophobicContact CB-CG1 4.33Å; M151-I159 HydrophobicContact CB-CG2 4.47Å
152	T	97.1	Very high	97.8	Very high	36 Å²	36	43.8 Å²	43.8	22%	0.221	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-33.6	-178.9	-57.1	0	0	0	0	112.5	D41 L43 L148 D149 L150	D41-T152 HydrophobicContact CB-CG2 4.28Å; D41-T152 WeakPolarHBondContact OD2-CG2 3.29Å; L43-T152 HydrophobicContact CD1-CG2 4.44Å; L43-T152 WeakPolarHBondContact CD1-OG1 3.41Å; L148-T152 WeakPolarHBondContact O-CB 3.49Å; L148-T152 PolarHBondContact O-N 3.4Å; L148-T152 PolarHBondContact O-OG1 3.09Å; D149-T152 PolarHBondContact O-N 3.12Å; L150-T152 VanDerWaalsContact C-N 3.27Å; L150-T152 PolarHBondContact O-N 3.04Å
153	K	97.7	Very high	97.8	Very high	162 Å²	162	44.6 Å²	44.6	70%	0.704	23%	0.228	S	C	*	.	H	α-helix	trans	-69.2	-35.7	176	178.8	-179.4	169.9	-172.5	0	112.7	D149 L150 M151	D149-K153 PolarHBondContact O-N 3.34Å; D149-K153 VanDerWaalsContact O-N 3.14Å; L150-K153 PolarHBondContact O-N 3.32Å; M151-K153 VanDerWaalsContact C-N 3.29Å; M151-K153 PolarHBondContact O-N 3.21Å
154	E	98.3	Very high	98	Very high	36 Å²	36	39.5 Å²	39.5	17%	0.168	21%	0.208	C	C	.	.	H	α-helix	trans	-100	-24.5	-170.5	-61	-63.3	153.2	0	0	113.4	T125 A128 R129 L150 M151	T125-E154 HydrophobicContact CG2-CB 4.32Å; T125-E154 HydrophobicContact CG2-CG 3.71Å; T125-E154 WeakPolarHBondContact CG2-OE2 3.45Å; A128-E154 HydrophobicContact CB-CB 3.98Å; R129-E154 IonicContact CZ-OE2 3.33Å; R129-E154 IonicContact NE-OE2 3.09Å; R129-E154 PolarHBondContact NE-OE2 2.8Å; R129-E154 VanDerWaalsContact NE-OE2 3.09Å; R129-E154 IonicContact NH2-OE2 2.73Å; R129-E154 PolarHBondContact NH2-OE2 3.17Å; L150-E154 HydrophobicContact CD1-CG 4.04Å; L150-E154 WeakPolarHBondContact O-CG 3.33Å; L150-E154 PolarHBondContact O-N 2.82Å; M151-E154 PolarHBondContact O-N 3.04Å
155	A	98.1	Very high	97.9	Very high	15 Å²	15	38 Å²	38	12%	0.124	21%	0.206	C	C	.	.			trans	-81.8	150.7	178	0	0	0	0	0	112.2	A128 S132 M151 I159	A128-A155 HydrophobicContact CB-CB 4.36Å; S132-A155 WeakPolarHBondContact OG-CA 3.31Å; S132-A155 VanDerWaalsContact OG-CB 3.27Å; S132-A155 WeakPolarHBondContact OG-CB 3.29Å; M151-A155 WeakPolarHBondContact O-CB 3.34Å; M151-A155 PolarHBondContact O-N 2.83Å; A155-I159 HydrophobicContact CB-CD1 3.73Å; A155-I159 HydrophobicContact CB-CG1 4.29Å
156	T	98.5	Very high	97.8	Very high	126 Å²	126	39 Å²	39	77%	0.773	22%	0.215	S	C	*	.	S	Bend	trans	-109.3	10.1	174.4	59.7	0	0	0	0	112.7	S132	S132-T156 WeakPolarHBondContact CB-OG1 3.48Å; S132-T156 PolarHBondContact OG-N 3.12Å
157	V	98.8	Very high	97.8	Very high	22 Å²	22	36.3 Å²	36.3	13%	0.133	20%	0.196	C	C	.	.	S	Bend	trans	-125.6	153.2	177.9	-61.2	0	0	0	0	110.1	I138 I159	I138-V157 HydrophobicContact CD1-CG2 4.19Å; I138-V157 HydrophobicContact CG1-CG2 4.01Å; V157-I159 PolarHBondContact O-N 2.72Å
158	P	98.8	Very high	97.8	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.058	19%	0.187	C	C	.	.			trans	-53.6	132.4	-178.7	-32.1	39.2	0	0	0	114.5	R40 A137 I138 L341 L342	R40-P158 WeakPolarHBondContact O-CB 3.29Å; A137-P158 WeakPolarHBondContact CA-O 3.38Å; A137-P158 HydrophobicContact CB-CB 4.47Å; I138-P158 PolarHBondContact N-O 3.29Å; P158-L341 HydrophobicContact CB-CB 4.38Å; P158-L341 HydrophobicContact CB-CD1 4.32Å; P158-L341 HydrophobicContact CG-CB 4.44Å; P158-L342 HydrophobicContact CG-CD2 3.87Å
159	I	98.8	Very high	97.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.8	172.3	-52.1	-56.6	0	0	0	110.2	D41 L42 L43 I138 L148 M151 A155 V157	D41-I159 CarbonylContact C-O 3.58Å; D41-I159 WeakPolarHBondContact CA-O 3.49Å; D41-I159 HydrophobicContact CB-CB 4.47Å; D41-I159 WeakPolarHBondContact CB-O 3.47Å; D41-I159 PolarHBondContact OD1-N 3.11Å; L42-I159 PolarHBondContact N-O 2.57Å; L43-I159 HydrophobicContact CD2-CB 4.07Å; L43-I159 HydrophobicContact CD2-CG2 3.8Å; I138-I159 HydrophobicContact CB-CD1 3.71Å; I138-I159 HydrophobicContact CD1-CD1 3.74Å; I138-I159 HydrophobicContact CG1-CD1 4.05Å; I138-I159 HydrophobicContact CG2-CD1 4.45Å; I138-I159 CarbonylContact O-C 3.5Å; I138-I159 WeakPolarHBondContact O-CA 3.3Å; L148-I159 HydrophobicContact CD2-CG2 4.27Å; M151-I159 HydrophobicContact CB-CD1 4.25Å; M151-I159 HydrophobicContact CB-CG1 4.33Å; M151-I159 HydrophobicContact CB-CG2 4.47Å; A155-I159 HydrophobicContact CB-CD1 3.73Å; A155-I159 HydrophobicContact CB-CG1 4.29Å; V157-I159 PolarHBondContact O-N 2.72Å
160	I	98.9	Very high	97.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.8	-177.6	-60.6	163.9	0	0	0	109.1	I138 L139 A140 G162 L170 V337 M338 L341	I138-I160 PolarHBondContact O-N 2.98Å; L139-I160 WeakPolarHBondContact CA-O 3.48Å; L139-I160 HydrophobicContact CB-CB 4.42Å; L139-I160 HydrophobicContact CD1-CG2 4.2Å; L139-I160 HydrophobicContact CG-CG2 4.48Å; A140-I160 PolarHBondContact N-O 2.75Å; I160-G162 PolarHBondContact O-N 3.23Å; I160-G162 VanDerWaalsContact O-N 3.11Å; I160-L170 HydrophobicContact CG2-CD1 3.96Å; I160-L170 HydrophobicContact CG2-CD2 4.24Å; I160-L170 HydrophobicContact CG2-CG 4.35Å; I160-V337 HydrophobicContact CD1-CG1 4.06Å; I160-V337 HydrophobicContact CG1-CG1 4.29Å; I160-V337 HydrophobicContact CG2-CG1 4.34Å; I160-M338 HydrophobicContact CD1-CE 3.29Å; I160-M338 HydrophobicContact CD1-SD 3.25Å; I160-M338 WeakPolarHBondContact CD1-SD 3.5Å; I160-L341 HydrophobicContact CD1-CD1 3.96Å; I160-L341 HydrophobicContact CG1-CD1 3.8Å
161	N	98.8	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	104.1	177.1	-176.8	-2.1	0	0	0	110.9	L42 L43 L148 L163 S164 Y167 P169	L42-N161 WeakPolarHBondContact O-CB 3.23Å; L42-N161 PolarHBondContact O-N 3.21Å; L43-N161 WeakPolarHBondContact O-CB 3.22Å; L43-N161 PolarHBondContact O-ND2 2.97Å; L148-N161 HydrophobicContact CD1-CB 3.72Å; N161-L163 VanDerWaalsContact C-N 3.34Å; N161-L163 WeakPolarHBondContact OD1-CA 3.47Å; N161-L163 PolarHBondContact OD1-N 3.4Å; N161-S164 PolarHBondContact OD1-N 3.32Å; N161-Y167 PolarHBondContact ND2-O 3.37Å; N161-P169 HydrophobicContact CB-CG 3.93Å
162	G	98.1	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-24.1	174.8	0	0	0	0	0	114.1	A140 I160 H168	A140-G162 PolarHBondContact O-N 3.18Å; I160-G162 PolarHBondContact O-N 3.23Å; I160-G162 VanDerWaalsContact O-N 3.11Å; G162-H168 PolarHBondContact O-CE1 2.87Å
163	L	97.8	Very high	98.1	Very high	18 Å²	18	26.5 Å²	26.5	9%	0.094	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.2	138.9	169.1	169.2	153	0	0	0	107.3	R141 V142 N161	R141-L163 WeakPolarHBondContact CA-O 3.42Å; R141-L163 HydrophobicContact CG-CB 4.08Å; R141-L163 HydrophobicContact CG-CD2 4.36Å; V142-L163 PolarHBondContact N-O 2.82Å; N161-L163 VanDerWaalsContact C-N 3.34Å; N161-L163 WeakPolarHBondContact OD1-CA 3.47Å; N161-L163 PolarHBondContact OD1-N 3.4Å
164	S	97.1	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.			trans	-129.4	175.8	165.8	76.3	0	0	0	0	110.6	H145 N161 S166 Y167 N199	H145-S164 PolarHBondContact ND1-OG 3.41Å; H145-S164 VanDerWaalsContact ND1-OG 3.12Å; N161-S164 PolarHBondContact OD1-N 3.32Å; S164-S166 PolarHBondContact O-N 2.9Å; S164-S166 PolarHBondContact OG-N 2.9Å; S164-Y167 PolarHBondContact N-O 3.26Å; S164-Y167 PolarHBondContact OG-N 3.12Å; S164-N199 PolarHBondContact O-ND2 3.01Å
165	D	94.4	Very high	98.2	Very high	90 Å²	90	17.2 Å²	17.2	48%	0.481	10%	0.101	S	C	.	.	S	Bend	trans	-54	-31.5	170.6	57.3	1.2	0	0	0	113.8	Y143 H145 N199	Y143-D165 WeakPolarHBondContact O-CB 3.29Å; Y143-D165 PolarHBondContact O-N 3.19Å; H145-D165 PolarHBondContact N-OD1 3.36Å; D165-N199 WeakPolarHBondContact O-CB 3.39Å
166	S	95.8	Very high	98.2	Very high	40 Å²	40	16.7 Å²	16.7	28%	0.28	10%	0.096	S	C	.	.	S	Bend	trans	-96.5	-36.3	-172.1	-54.5	0	0	0	0	113.5	S164 N199 S202	S164-S166 PolarHBondContact O-N 2.9Å; S164-S166 PolarHBondContact OG-N 2.9Å; S166-N199 WeakPolarHBondContact O-CA 3.33Å; S166-S202 WeakPolarHBondContact O-CB 3.22Å
167	Y	98.1	Very high	98.2	Very high	27 Å²	27	10.8 Å²	10.8	11%	0.106	6%	0.059	C	C	.	.			trans	-147.2	156	-173.7	-52.1	-77.7	0	0	0	113.6	H145 N161 S164 T206 I229	H145-Y167 AromaticContact CE1-CD2 3.52Å; H145-Y167 AromaticContact ND1-CD2 3.68Å; H145-Y167 AromaticContact NE2-CD2 3.84Å; H145-Y167 AromaticContact NE2-CE2 3.84Å; N161-Y167 PolarHBondContact ND2-O 3.37Å; S164-Y167 PolarHBondContact N-O 3.26Å; S164-Y167 PolarHBondContact OG-N 3.12Å; Y167-T206 HydrophobicContact CE1-CG2 4.37Å; Y167-I229 HydrophobicContact CE1-CD1 3.77Å; Y167-I229 VanDerWaalsContact OH-CD1 3.27Å; Y167-I229 WeakPolarHBondContact OH-CD1 3.48Å
168	H	98	Very high	98.2	Very high	6 Å²	6	9.9 Å²	9.9	3%	0.028	5%	0.054	C	C	.	.			trans	-138.8	68.6	171.4	-164.8	7.2	0	0	0	111.3	G162 L170 Q171 S203	G162-H168 PolarHBondContact O-CE1 2.87Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 3.27Å; H168-Q171 HydrophobicContact CB-CB 4.33Å; H168-Q171 VanDerWaalsContact CD2-CB 3.5Å; H168-Q171 WeakPolarHBondContact CD2-CB 3.37Å; H168-Q171 WeakPolarHBondContact O-CB 3.38Å; H168-Q171 PolarHBondContact O-N 3.03Å; H168-Q171 VanDerWaalsContact O-N 3.14Å; H168-S203 PolarHBondContact N-OG 2.88Å
169	P	98.6	Very high	98.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.9	-36.6	-171.2	24.8	-34.9	0	0	0	113.5	L42 L45 N161 Q171 I172 L173	L42-P169 HydrophobicContact CD1-CB 4.45Å; L42-P169 HydrophobicContact CG-CB 4.39Å; L42-P169 HydrophobicContact CG-CG 4.35Å; L45-P169 HydrophobicContact CD2-CB 3.63Å; L45-P169 HydrophobicContact CG-CB 3.71Å; N161-P169 HydrophobicContact CB-CG 3.93Å; P169-Q171 VanDerWaalsContact C-N 3.27Å; P169-Q171 PolarHBondContact O-N 3.48Å; P169-I172 PolarHBondContact O-N 3.21Å; P169-L173 PolarHBondContact O-N 3.14Å
170	L	98.6	Very high	98.2	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.01	6%	0.055	C	C	.	.	H	α-helix	trans	-64.2	-28.9	179.2	-68	177.8	0	0	0	113.7	L42 L139 I160 H168 I334 V337	L42-L170 HydrophobicContact CD2-CD2 3.76Å; L42-L170 HydrophobicContact CD2-CG 4.5Å; L139-L170 HydrophobicContact CD1-CD1 4.06Å; I160-L170 HydrophobicContact CG2-CD1 3.96Å; I160-L170 HydrophobicContact CG2-CD2 4.24Å; I160-L170 HydrophobicContact CG2-CG 4.35Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 3.27Å; L170-I334 HydrophobicContact CD1-CD1 3.85Å; L170-I334 HydrophobicContact CD1-CG1 4.14Å; L170-I334 HydrophobicContact CD2-CG1 4.2Å; L170-V337 HydrophobicContact CD2-CB 4.4Å; L170-V337 HydrophobicContact CD2-CG1 4.49Å; L170-V337 HydrophobicContact CD2-CG2 3.92Å
171	Q	98.8	Very high	98.2	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-66.5	-49.9	175.4	179.8	60.6	58.2	0	0	109.9	H168 P169 L173 A174 D175 C303 E326	H168-Q171 HydrophobicContact CB-CB 4.33Å; H168-Q171 VanDerWaalsContact CD2-CB 3.5Å; H168-Q171 WeakPolarHBondContact CD2-CB 3.37Å; H168-Q171 WeakPolarHBondContact O-CB 3.38Å; H168-Q171 PolarHBondContact O-N 3.03Å; H168-Q171 VanDerWaalsContact O-N 3.14Å; P169-Q171 VanDerWaalsContact C-N 3.27Å; P169-Q171 PolarHBondContact O-N 3.48Å; Q171-L173 VanDerWaalsContact C-N 3.29Å; Q171-L173 PolarHBondContact O-N 2.97Å; Q171-A174 WeakPolarHBondContact O-CA 3.44Å; Q171-A174 VanDerWaalsContact O-CB 3.31Å; Q171-A174 WeakPolarHBondContact O-CB 3.16Å; Q171-A174 PolarHBondContact O-N 3.16Å; Q171-D175 PolarHBondContact NE2-OD1 3.47Å; Q171-D175 PolarHBondContact O-N 2.96Å; Q171-D175 VanDerWaalsContact O-OD1 3.11Å; Q171-C303 VanDerWaalsContact CD-CB 3.47Å; Q171-C303 HydrophobicContact CG-CB 3.83Å; Q171-E326 PolarHBondContact NE2-OE1 2.98Å
172	I	98.8	Very high	98.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.3	-31.6	-174.3	-55.9	-43.3	0	0	0	112.6	L45 P169 A174 D175 Y176 V200 I204	L45-I172 HydrophobicContact CD1-CB 3.87Å; L45-I172 HydrophobicContact CD1-CG2 3.88Å; P169-I172 PolarHBondContact O-N 3.21Å; I172-A174 VanDerWaalsContact C-N 3.3Å; I172-A174 PolarHBondContact O-N 3.25Å; I172-D175 WeakPolarHBondContact CD1-OD2 3.35Å; I172-D175 PolarHBondContact O-N 2.73Å; I172-Y176 HydrophobicContact CG2-CD1 4.14Å; I172-Y176 HydrophobicContact CG2-CD2 3.76Å; I172-Y176 HydrophobicContact CG2-CE1 3.66Å; I172-Y176 HydrophobicContact CG2-CE2 3.28Å; I172-Y176 HydrophobicContact CG2-CG 4.19Å; I172-Y176 WeakPolarHBondContact O-CB 3.32Å; I172-Y176 VanDerWaalsContact O-CG 3.25Å; I172-Y176 PolarHBondContact O-N 3.03Å; I172-V200 HydrophobicContact CD1-CG1 3.92Å; I172-I204 HydrophobicContact CD1-CD1 4.19Å; I172-I204 HydrophobicContact CD1-CG1 3.43Å; I172-I204 VanDerWaalsContact CD1-CG1 3.43Å; I172-I204 HydrophobicContact CG1-CG1 4.19Å
173	L	98.9	Very high	98.2	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-42.2	170.4	-66.7	176.6	0	0	0	111.4	L42 L45 L53 L56 L57 P169 Q171 L177 T333 V337	L42-L173 HydrophobicContact CD2-CD1 4.26Å; L45-L173 HydrophobicContact CD2-CD2 4.35Å; L45-L173 HydrophobicContact CD2-CG 4.44Å; L53-L173 HydrophobicContact CD2-CD2 4.34Å; L56-L173 HydrophobicContact CB-CD2 4.34Å; L56-L173 HydrophobicContact CD1-CD1 4.2Å; L56-L173 HydrophobicContact CD1-CD2 4.28Å; L57-L173 HydrophobicContact CD2-CD2 4.35Å; L57-L173 VanDerWaalsContact CD2-O 3.23Å; L57-L173 WeakPolarHBondContact CD2-O 3.44Å; P169-L173 PolarHBondContact O-N 3.14Å; Q171-L173 VanDerWaalsContact C-N 3.29Å; Q171-L173 PolarHBondContact O-N 2.97Å; L173-L177 WeakPolarHBondContact O-CB 3.47Å; L173-L177 PolarHBondContact O-N 3.37Å; L173-T333 HydrophobicContact CB-CG2 4.16Å; L173-T333 WeakPolarHBondContact O-CG2 3.46Å; L173-V337 HydrophobicContact CD1-CG2 3.57Å
174	A	98.9	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.3	-40.3	176.8	0	0	0	0	0	112	Q171 I172 Y176 L177 T178 N329 R330 T333	Q171-A174 WeakPolarHBondContact O-CA 3.44Å; Q171-A174 VanDerWaalsContact O-CB 3.31Å; Q171-A174 WeakPolarHBondContact O-CB 3.16Å; Q171-A174 PolarHBondContact O-N 3.16Å; I172-A174 VanDerWaalsContact C-N 3.3Å; I172-A174 PolarHBondContact O-N 3.25Å; A174-Y176 PolarHBondContact O-N 3Å; A174-L177 PolarHBondContact O-N 3.25Å; A174-T178 WeakPolarHBondContact O-CB 3.32Å; A174-T178 PolarHBondContact O-N 3.25Å; A174-T178 PolarHBondContact O-OG1 3.45Å; A174-N329 HydrophobicContact CB-CB 4.17Å; A174-R330 HydrophobicContact CB-CG 4.1Å; A174-T333 HydrophobicContact CB-CG2 4.49Å
175	D	98.9	Very high	98.2	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-58.2	-50.7	175.8	-57.2	-8.1	0	0	0	109.8	Q171 I172 L177 T178 L179 L301 E326	Q171-D175 PolarHBondContact NE2-OD1 3.47Å; Q171-D175 PolarHBondContact O-N 2.96Å; Q171-D175 VanDerWaalsContact O-OD1 3.11Å; I172-D175 WeakPolarHBondContact CD1-OD2 3.35Å; I172-D175 PolarHBondContact O-N 2.73Å; D175-L177 PolarHBondContact O-N 3.45Å; D175-T178 WeakPolarHBondContact O-CB 3.29Å; D175-T178 PolarHBondContact O-N 2.96Å; D175-T178 VanDerWaalsContact O-N 3.11Å; D175-L179 WeakPolarHBondContact O-CG 3.32Å; D175-L179 PolarHBondContact O-N 2.91Å; D175-L301 HydrophobicContact CB-CD1 4.06Å; D175-E326 WeakPolarHBondContact OD1-CG 3.35Å
176	Y	98.9	Very high	98.4	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-69.5	-34.3	-177.1	-64.8	-10.7	0	0	0	113.3	I172 A174 T178 L179 Q180 L186 S207 A208 L211 M213	I172-Y176 HydrophobicContact CG2-CD1 4.14Å; I172-Y176 HydrophobicContact CG2-CD2 3.76Å; I172-Y176 HydrophobicContact CG2-CE1 3.66Å; I172-Y176 HydrophobicContact CG2-CE2 3.28Å; I172-Y176 HydrophobicContact CG2-CG 4.19Å; I172-Y176 WeakPolarHBondContact O-CB 3.32Å; I172-Y176 VanDerWaalsContact O-CG 3.25Å; I172-Y176 PolarHBondContact O-N 3.03Å; A174-Y176 PolarHBondContact O-N 3Å; Y176-T178 VanDerWaalsContact C-N 3.31Å; Y176-L179 HydrophobicContact CD1-CD1 4.36Å; Y176-Q180 WeakPolarHBondContact O-CB 3.45Å; Y176-Q180 PolarHBondContact O-N 2.7Å; Y176-L186 HydrophobicContact CG-CD1 4.47Å; Y176-S207 WeakPolarHBondContact CE2-OG 3.36Å; Y176-S207 PolarHBondContact OH-OG 3.28Å; Y176-A208 VanDerWaalsContact OH-CA 3.29Å; Y176-A208 WeakPolarHBondContact OH-CA 3.42Å; Y176-A208 WeakPolarHBondContact OH-CB 3.28Å; Y176-A208 PolarHBondContact OH-N 3.1Å; Y176-L211 HydrophobicContact CD2-CD1 3.2Å; Y176-L211 HydrophobicContact CE2-CD1 3.52Å; Y176-L211 HydrophobicContact CG-CD1 3.98Å; Y176-M213 HydrophobicContact CD1-CE 3.73Å; Y176-M213 HydrophobicContact CD2-CE 4.34Å; Y176-M213 HydrophobicContact CE1-CE 3.3Å; Y176-M213 HydrophobicContact CE1-SD 4.43Å; Y176-M213 HydrophobicContact CE2-CE 3.93Å; Y176-M213 HydrophobicContact CG-CE 4.23Å
177	L	98.9	Very high	98.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-43.7	169.9	-179.6	62	0	0	0	110.6	L57 A60 L173 A174 D175 Q180 E181 N329 W332 T333	L57-L177 HydrophobicContact CD2-CB 4.12Å; A60-L177 HydrophobicContact CB-CD2 3.81Å; L173-L177 WeakPolarHBondContact O-CB 3.47Å; L173-L177 PolarHBondContact O-N 3.37Å; A174-L177 PolarHBondContact O-N 3.25Å; D175-L177 PolarHBondContact O-N 3.45Å; L177-Q180 PolarHBondContact O-N 3.28Å; L177-E181 HydrophobicContact CD1-CG 4.33Å; L177-E181 WeakPolarHBondContact O-CB 3.31Å; L177-E181 VanDerWaalsContact O-CG 3.27Å; L177-E181 WeakPolarHBondContact O-CG 3.34Å; L177-E181 PolarHBondContact O-N 3.19Å; L177-N329 HydrophobicContact CD2-CB 4.07Å; L177-W332 HydrophobicContact CD2-CB 4.25Å; L177-T333 HydrophobicContact CB-CG2 3.94Å; L177-T333 HydrophobicContact CD2-CG2 3.68Å; L177-T333 HydrophobicContact CG-CG2 4.47Å
178	T	98.9	Very high	98.6	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-44.2	-179.6	-53.8	0	0	0	0	111.9	A174 D175 Y176 E181 H182 L301 L322 Q325 E326 N329	A174-T178 WeakPolarHBondContact O-CB 3.32Å; A174-T178 PolarHBondContact O-N 3.25Å; A174-T178 PolarHBondContact O-OG1 3.45Å; D175-T178 WeakPolarHBondContact O-CB 3.29Å; D175-T178 PolarHBondContact O-N 2.96Å; D175-T178 VanDerWaalsContact O-N 3.11Å; Y176-T178 VanDerWaalsContact C-N 3.31Å; T178-E181 PolarHBondContact O-N 2.63Å; T178-H182 WeakPolarHBondContact O-CB 3.44Å; T178-H182 PolarHBondContact O-N 3.35Å; T178-L301 HydrophobicContact CG2-CD2 4.29Å; T178-L322 HydrophobicContact CG2-CB 3.87Å; T178-L322 HydrophobicContact CG2-CD1 4.1Å; T178-Q325 HydrophobicContact CG2-CB 4.05Å; T178-E326 HydrophobicContact CG2-CB 4.31Å; T178-E326 VanDerWaalsContact OG1-CA 3.32Å; T178-E326 WeakPolarHBondContact OG1-CA 3.49Å; T178-N329 WeakPolarHBondContact CA-ND2 3.4Å; T178-N329 PolarHBondContact OG1-ND2 3.35Å
179	L	98.9	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66	-41.4	176	-65.6	178.7	0	0	0	111.6	D175 Y176 E181 H182 Y183 L186 V259 L301	D175-L179 WeakPolarHBondContact O-CG 3.32Å; D175-L179 PolarHBondContact O-N 2.91Å; Y176-L179 HydrophobicContact CD1-CD1 4.36Å; L179-E181 VanDerWaalsContact C-N 3.34Å; L179-E181 PolarHBondContact O-N 2.99Å; L179-H182 PolarHBondContact O-N 3.05Å; L179-Y183 HydrophobicContact CB-CD2 4.42Å; L179-Y183 HydrophobicContact CD2-CD2 4.28Å; L179-Y183 HydrophobicContact CD2-CE2 3.9Å; L179-Y183 WeakPolarHBondContact O-CB 3.3Å; L179-Y183 WeakPolarHBondContact O-CD2 3.3Å; L179-Y183 PolarHBondContact O-N 2.88Å; L179-L186 HydrophobicContact CB-CD2 3.57Å; L179-V259 HydrophobicContact CD1-CG1 4.31Å; L179-V259 HydrophobicContact CD1-CG2 3.98Å; L179-V259 HydrophobicContact CD2-CB 4.32Å; L179-V259 HydrophobicContact CD2-CG1 3.79Å; L179-V259 HydrophobicContact CD2-CG2 3.51Å; L179-V259 HydrophobicContact CG-CG2 4.38Å; L179-L301 HydrophobicContact CD1-CD1 4.17Å; L179-L301 HydrophobicContact CD2-CD1 3.88Å; L179-L301 HydrophobicContact CD2-CG 4.46Å; L179-L301 HydrophobicContact CG-CD1 3.98Å
180	Q	98.8	Very high	98.6	Very high	19 Å²	19	23.9 Å²	23.9	9%	0.089	14%	0.141	C	C	.	.	H	α-helix	trans	-63	-42.3	177.4	-170.2	-77.4	-47	0	0	111	Y176 L177 H182 G184 L186 T353 F354	Y176-Q180 WeakPolarHBondContact O-CB 3.45Å; Y176-Q180 PolarHBondContact O-N 2.7Å; L177-Q180 PolarHBondContact O-N 3.28Å; Q180-H182 VanDerWaalsContact C-N 3.32Å; Q180-H182 PolarHBondContact O-N 3.03Å; Q180-G184 WeakPolarHBondContact O-CA 3.43Å; Q180-G184 PolarHBondContact O-N 3.26Å; Q180-L186 HydrophobicContact CB-CD1 4.48Å; Q180-L186 HydrophobicContact CB-CD2 4.07Å; Q180-L186 HydrophobicContact CB-CG 4.16Å; Q180-T353 WeakPolarHBondContact CG-O 3.17Å; Q180-T353 PolarHBondContact NE2-O 3.27Å; Q180-F354 HydrophobicContact CG-CD1 3.87Å; Q180-F354 HydrophobicContact CG-CE1 3.82Å
181	E	98.7	Very high	98.6	Very high	79 Å²	79	23.9 Å²	23.9	37%	0.369	14%	0.141	S	C	.	.	H	α-helix	trans	-63.2	-36.7	175.8	-73.7	177	153.8	0	0	112.6	K64 L177 T178 L179 N329	K64-E181 VanDerWaalsContact CD-OE1 3.3Å; K64-E181 WeakPolarHBondContact CD-OE1 3.46Å; K64-E181 WeakPolarHBondContact CE-OE1 3.14Å; K64-E181 IonicContact NZ-OE1 2.67Å; K64-E181 PolarHBondContact NZ-OE1 3.23Å; K64-E181 IonicContact NZ-OE2 3.17Å; K64-E181 PolarHBondContact NZ-OE2 3.45Å; L177-E181 HydrophobicContact CD1-CG 4.33Å; L177-E181 WeakPolarHBondContact O-CB 3.31Å; L177-E181 VanDerWaalsContact O-CG 3.27Å; L177-E181 WeakPolarHBondContact O-CG 3.34Å; L177-E181 PolarHBondContact O-N 3.19Å; T178-E181 PolarHBondContact O-N 2.63Å; L179-E181 VanDerWaalsContact C-N 3.34Å; L179-E181 PolarHBondContact O-N 2.99Å; E181-N329 PolarHBondContact OE2-ND2 3.18Å
182	H	98.8	Very high	98.6	Very high	93 Å²	93	23.8 Å²	23.8	43%	0.431	14%	0.141	S	C	.	.	H	α-helix	trans	-77.7	-48.7	-179.1	-173.1	88.6	0	0	0	113.1	T178 L179 Q180 T299 L322	T178-H182 WeakPolarHBondContact O-CB 3.44Å; T178-H182 PolarHBondContact O-N 3.35Å; L179-H182 PolarHBondContact O-N 3.05Å; Q180-H182 VanDerWaalsContact C-N 3.32Å; Q180-H182 PolarHBondContact O-N 3.03Å; H182-T299 VanDerWaalsContact NE2-CG2 3.33Å; H182-T299 WeakPolarHBondContact NE2-CG2 3.45Å; H182-L322 HydrophobicContact CB-CD1 3.84Å
183	Y	98.6	Very high	98.6	Very high	50 Å²	50	23.8 Å²	23.8	20%	0.196	14%	0.141	C	C	.	.	H	α-helix	trans	-93.7	-13.3	-172.9	-68.8	-77.5	0	0	0	113.8	L179 G185 L189 N258 V259 N297 T299	L179-Y183 HydrophobicContact CB-CD2 4.42Å; L179-Y183 HydrophobicContact CD2-CD2 4.28Å; L179-Y183 HydrophobicContact CD2-CE2 3.9Å; L179-Y183 WeakPolarHBondContact O-CB 3.3Å; L179-Y183 WeakPolarHBondContact O-CD2 3.3Å; L179-Y183 PolarHBondContact O-N 2.88Å; Y183-G185 WeakPolarHBondContact CB-O 3.35Å; Y183-G185 PolarHBondContact O-N 3.01Å; Y183-L189 HydrophobicContact CD1-CD2 3.91Å; Y183-L189 HydrophobicContact CD2-CD1 3.69Å; Y183-L189 HydrophobicContact CD2-CD2 4.23Å; Y183-L189 HydrophobicContact CE1-CD2 4.26Å; Y183-L189 HydrophobicContact CE2-CD1 4.28Å; Y183-L189 HydrophobicContact CG-CD1 3.98Å; Y183-L189 HydrophobicContact CG-CD2 3.89Å; Y183-N258 HydrophobicContact CE1-CB 4.48Å; Y183-N258 PolarHBondContact OH-O 2.98Å; Y183-V259 HydrophobicContact CE2-CG2 4.09Å; Y183-N297 PolarHBondContact OH-O 2.85Å; Y183-T299 HydrophobicContact CE2-CG2 4.21Å; Y183-T299 VanDerWaalsContact OH-CG2 3.3Å; Y183-T299 WeakPolarHBondContact OH-CG2 3.32Å; Y183-T299 PolarHBondContact OH-N 3.02Å; Y183-T299 PolarHBondContact OH-OG1 3.49Å
184	G	97.7	Very high	98.6	Very high	42 Å²	42	23.7 Å²	23.7	43%	0.433	14%	0.14	S	C	.	.	S	Bend	trans	76	1.3	-174.3	0	0	0	0	0	114.4	Q180 T353	Q180-G184 WeakPolarHBondContact O-CA 3.43Å; Q180-G184 PolarHBondContact O-N 3.26Å; G184-T353 WeakPolarHBondContact O-CB 3.38Å
185	G	96.7	Very high	98.6	Very high	15 Å²	15	23.7 Å²	23.7	16%	0.155	14%	0.14	C	C	.	.			trans	-177.3	166.4	179.1	0	0	0	0	0	110.8	Y183	Y183-G185 WeakPolarHBondContact CB-O 3.35Å; Y183-G185 PolarHBondContact O-N 3.01Å
186	L	98.5	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.142	C	C	.	.			trans	-114.3	-33	-178.7	-60.5	177.8	0	0	0	111.8	L57 Y176 L179 Q180 G188 L189 L211 M213 F354	L57-L186 HydrophobicContact CD1-CD1 4.12Å; Y176-L186 HydrophobicContact CG-CD1 4.47Å; L179-L186 HydrophobicContact CB-CD2 3.57Å; Q180-L186 HydrophobicContact CB-CD1 4.48Å; Q180-L186 HydrophobicContact CB-CD2 4.07Å; Q180-L186 HydrophobicContact CB-CG 4.16Å; L186-G188 PolarHBondContact O-N 3.22Å; L186-L189 HydrophobicContact CD2-CD1 4.17Å; L186-L189 WeakPolarHBondContact O-CB 3.3Å; L186-L189 WeakPolarHBondContact O-CG 3.16Å; L186-L189 PolarHBondContact O-N 2.69Å; L186-L211 HydrophobicContact CB-CB 4.46Å; L186-L211 HydrophobicContact CD1-CB 4.31Å; L186-L211 HydrophobicContact CD1-CD1 3.77Å; L186-L211 HydrophobicContact CD1-CG 4.49Å; L186-M213 HydrophobicContact CB-CG 4.21Å; L186-M213 HydrophobicContact CB-SD 4.09Å; L186-M213 HydrophobicContact CD2-SD 4.25Å; L186-M213 WeakPolarHBondContact O-CG 3.32Å; L186-F354 WeakPolarHBondContact CA-OXT 3.26Å; L186-F354 HydrophobicContact CD1-CD1 4.18Å; L186-F354 PolarHBondContact N-OXT 3.2Å
187	N	98.3	Very high	98.4	Very high	120 Å²	120	24.6 Å²	24.6	64%	0.642	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	125.3	-178.3	-176.4	51.4	0	0	0	112	G212 F354	N187-G212 WeakPolarHBondContact OD1-CA 3.44Å; N187-F354 PolarHBondContact N-OXT 2.99Å
188	G	98.4	Very high	98.3	Very high	39 Å²	39	25.3 Å²	25.3	40%	0.402	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-8.5	-179	0	0	0	0	0	115.5	L186 G212	L186-G188 PolarHBondContact O-N 3.22Å; G188-G212 PolarHBondContact N-O 3.46Å
189	L	98.8	Very high	98.1	Very high	15 Å²	15	26 Å²	26	8%	0.079	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-64	142.9	173	-64.4	-179.4	0	0	0	110.5	Y183 L186 M213 H214 N258	Y183-L189 HydrophobicContact CD1-CD2 3.91Å; Y183-L189 HydrophobicContact CD2-CD1 3.69Å; Y183-L189 HydrophobicContact CD2-CD2 4.23Å; Y183-L189 HydrophobicContact CE1-CD2 4.26Å; Y183-L189 HydrophobicContact CE2-CD1 4.28Å; Y183-L189 HydrophobicContact CG-CD1 3.98Å; Y183-L189 HydrophobicContact CG-CD2 3.89Å; L186-L189 HydrophobicContact CD2-CD1 4.17Å; L186-L189 WeakPolarHBondContact O-CB 3.3Å; L186-L189 WeakPolarHBondContact O-CG 3.16Å; L186-L189 PolarHBondContact O-N 2.69Å; L189-M213 HydrophobicContact CB-CG 4.13Å; L189-M213 HydrophobicContact CB-SD 4.41Å; L189-M213 CarbonylContact O-C 3.03Å; L189-M213 WeakPolarHBondContact O-CA 3.37Å; L189-H214 PolarHBondContact O-N 3.4Å; L189-N258 HydrophobicContact CD2-CB 3.98Å
190	T	98.9	Very high	98.1	Very high	14 Å²	14	26.2 Å²	26.2	9%	0.086	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.1	169.9	-60.8	0	0	0	0	109.9	H214 R216 A257 N258 V259	T190-H214 HydrophobicContact CG2-CB 4.31Å; T190-R216 HydrophobicContact CG2-CG 3.99Å; T190-A257 HydrophobicContact CG2-CB 4.04Å; T190-N258 PolarHBondContact N-OD1 2.78Å; T190-N258 PolarHBondContact O-N 2.9Å; T190-V259 PolarHBondContact O-N 3.27Å; T190-V259 VanDerWaalsContact O-N 3.11Å
191	V	98.9	Very high	98.1	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.2	173.7	179.2	0	0	0	0	109.1	I204 M213 H214 L215 R216 V259 I261	V191-I204 HydrophobicContact CG1-CG2 4.49Å; V191-M213 HydrophobicContact CG2-SD 4.01Å; V191-H214 PolarHBondContact N-O 2.69Å; V191-L215 HydrophobicContact CB-CD1 4.08Å; V191-L215 HydrophobicContact CG1-CD1 4.03Å; V191-L215 CarbonylContact O-C 3.38Å; V191-L215 WeakPolarHBondContact O-CA 3.42Å; V191-R216 PolarHBondContact O-N 3.06Å; V191-V259 HydrophobicContact CG2-CB 4.34Å; V191-V259 HydrophobicContact CG2-CG2 4.46Å; V191-I261 HydrophobicContact CG1-CD1 3.45Å; V191-I261 VanDerWaalsContact CG1-CD1 3.45Å; V191-I261 HydrophobicContact CG1-CG1 3.96Å
192	A	98.9	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	112.6	172.7	0	0	0	0	0	110	R216 A253 A257 V259 L260 I261	A192-R216 CarbonylContact C-O 3.57Å; A192-R216 VanDerWaalsContact CA-O 3.3Å; A192-R216 WeakPolarHBondContact CA-O 3.44Å; A192-A253 VanDerWaalsContact CB-O 3.23Å; A192-A253 WeakPolarHBondContact CB-O 3.24Å; A192-A257 HydrophobicContact CB-CB 3.51Å; A192-V259 PolarHBondContact N-O 2.96Å; A192-L260 HydrophobicContact CB-CD2 3.95Å; A192-I261 PolarHBondContact O-N 2.95Å
193	W	98.9	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.5	167.7	176.7	-91.8	0	0	0	110.1	D196 V200 L201 I204 R216 V217 A218 I261 D263	W193-D196 VanDerWaalsContact CZ2-O 3.28Å; W193-D196 WeakPolarHBondContact CZ2-O 3.22Å; W193-D196 PolarHBondContact NE1-O 3.16Å; W193-V200 HydrophobicContact CH2-CB 3.84Å; W193-V200 HydrophobicContact CH2-CG1 3.92Å; W193-V200 HydrophobicContact CZ3-CB 4.1Å; W193-V200 HydrophobicContact CZ3-CG1 3.66Å; W193-L201 HydrophobicContact CB-CD1 3.9Å; W193-L201 HydrophobicContact CD2-CB 4.03Å; W193-L201 HydrophobicContact CD2-CD1 4.04Å; W193-L201 HydrophobicContact CD2-CG 4.47Å; W193-L201 HydrophobicContact CG-CB 4.43Å; W193-L201 HydrophobicContact CG-CD1 3.66Å; W193-L201 HydrophobicContact CG-CD2 4.42Å; W193-L201 HydrophobicContact CG-CG 4.36Å; W193-L201 HydrophobicContact CH2-CB 4.43Å; W193-L201 HydrophobicContact CZ2-CB 3.95Å; W193-I204 HydrophobicContact CE3-CD1 3.81Å; W193-I204 HydrophobicContact CZ3-CD1 4.12Å; W193-R216 PolarHBondContact N-O 3.39Å; W193-V217 HydrophobicContact CB-CG1 4.34Å; W193-V217 HydrophobicContact CB-CG2 4.49Å; W193-V217 HydrophobicContact CG-CG1 4.34Å; W193-V217 CarbonylContact O-C 3.56Å; W193-V217 WeakPolarHBondContact O-CA 3.41Å; W193-A218 PolarHBondContact O-N 3.27Å; W193-I261 WeakPolarHBondContact CA-O 3.25Å; W193-I261 HydrophobicContact CE3-CB 4.09Å; W193-I261 HydrophobicContact CE3-CG2 3.69Å; W193-I261 HydrophobicContact CZ3-CG2 3.74Å; W193-D263 HydrophobicContact CH2-CB 3.53Å; W193-D263 HydrophobicContact CZ2-CB 4.23Å; W193-D263 HydrophobicContact CZ3-CB 4.3Å
194	I	98.9	Very high	98.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	108.7	175.1	-57.2	171.1	0	0	0	107.2	A218 P250 A253 A254 I261 T262 Y284 I286 T290	I194-A218 HydrophobicContact CG1-CB 4.34Å; I194-A218 HydrophobicContact CG2-CB 4.48Å; I194-P250 HydrophobicContact CD1-CB 4.34Å; I194-P250 HydrophobicContact CG2-CB 3.8Å; I194-P250 HydrophobicContact CG2-CG 4.13Å; I194-A253 HydrophobicContact CG1-CB 4.33Å; I194-A254 HydrophobicContact CD1-CB 4.23Å; I194-I261 PolarHBondContact N-O 3.3Å; I194-T262 VanDerWaalsContact O-CB 3.22Å; I194-T262 WeakPolarHBondContact O-CB 3.5Å; I194-T262 PolarHBondContact O-OG1 3.15Å; I194-Y284 HydrophobicContact CG2-CD1 3.86Å; I194-Y284 HydrophobicContact CG2-CG 4.48Å; I194-Y284 WeakPolarHBondContact CG2-O 3.43Å; I194-I286 HydrophobicContact CB-CD1 4.16Å; I194-I286 HydrophobicContact CB-CG1 4.3Å; I194-I286 HydrophobicContact CD1-CD1 4.11Å; I194-I286 HydrophobicContact CD1-CG1 4.13Å; I194-I286 HydrophobicContact CG2-CG1 4.45Å; I194-T290 HydrophobicContact CD1-CG2 3.6Å
195	G	98.3	Very high	98.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	155.5	-143.9	-176.7	0	0	0	0	0	113.5	A218 T219 P220	G195-A218 PolarHBondContact N-O 3.01Å; G195-T219 WeakPolarHBondContact O-CA 2.97Å; G195-T219 WeakPolarHBondContact O-CG2 3.34Å; G195-P220 WeakPolarHBondContact O-CD 3.3Å
196	D	97.3	Very high	98.2	Very high	9 Å²	9	12.5 Å²	12.5	5%	0.048	8%	0.081	C	C	.	.			trans	-84.2	155	-173.2	-167.1	18.6	0	0	0	112.6	W193 N198 F223 R277 F281	W193-D196 VanDerWaalsContact CZ2-O 3.28Å; W193-D196 WeakPolarHBondContact CZ2-O 3.22Å; W193-D196 PolarHBondContact NE1-O 3.16Å; D196-N198 HydrophobicContact CB-CB 4.27Å; D196-N198 PolarHBondContact O-N 3.21Å; D196-F223 WeakPolarHBondContact OD1-CD1 3.36Å; D196-R277 VanDerWaalsContact CG-NH1 3.33Å; D196-R277 IonicContact OD1-NH1 3.21Å; D196-R277 IonicContact OD2-CZ 3.98Å; D196-R277 IonicContact OD2-NH1 3.21Å; D196-R277 PolarHBondContact OD2-NH1 2.82Å; D196-R277 IonicContact OD2-NH2 3.31Å; D196-F281 HydrophobicContact CB-CE1 3.99Å; D196-F281 HydrophobicContact CB-CZ 3.83Å
197	G	97.1	Very high	98.2	Very high	17 Å²	17	12.5 Å²	12.5	18%	0.175	8%	0.081	C	C	.	.	S	Bend	trans	-74.3	44.8	174.2	0	0	0	0	0	114	F223	G197-F223 WeakPolarHBondContact CA-O 3.47Å; G197-F223 PolarHBondContact N-O 3.04Å
198	N	96.1	Very high	98.2	Very high	16 Å²	16	6.9 Å²	6.9	9%	0.086	5%	0.052	C	C	.	.			trans	-93.8	-169.4	-162	77.7	10.9	0	0	0	115	D196 V200 L201 S202 D263	D196-N198 HydrophobicContact CB-CB 4.27Å; D196-N198 PolarHBondContact O-N 3.21Å; N198-V200 PolarHBondContact O-N 2.85Å; N198-V200 WeakPolarHBondContact OD1-CB 3.31Å; N198-V200 PolarHBondContact OD1-N 2.75Å; N198-L201 PolarHBondContact O-N 3.2Å; N198-L201 PolarHBondContact OD1-N 2.7Å; N198-S202 WeakPolarHBondContact O-CB 3.42Å; N198-S202 PolarHBondContact O-N 3.17Å; N198-S202 PolarHBondContact O-OG 3.16Å; N198-D263 PolarHBondContact ND2-OD2 3.06Å
199	N	95.6	Very high	98.2	Very high	18 Å²	18	5.2 Å²	5.2	10%	0.096	3%	0.034	C	C	.	.	H	α-helix	trans	-64.4	-33.1	179.5	53.7	9.4	0	0	0	114.7	S164 D165 S166 S203	S164-N199 PolarHBondContact O-ND2 3.01Å; D165-N199 WeakPolarHBondContact O-CB 3.39Å; S166-N199 WeakPolarHBondContact O-CA 3.33Å; N199-S203 WeakPolarHBondContact O-CB 3.33Å; N199-S203 PolarHBondContact O-N 3.37Å; N199-S203 VanDerWaalsContact O-N 3.13Å; N199-S203 PolarHBondContact O-OG 3.46Å
200	V	98.1	Very high	98.2	Very high	4 Å²	4	4.7 Å²	4.7	2%	0.024	3%	0.031	C	C	.	.	H	α-helix	trans	-67.6	-51.7	175.9	179.9	0	0	0	0	108.5	I172 W193 N198 S202 S203 I204	I172-V200 HydrophobicContact CD1-CG1 3.92Å; W193-V200 HydrophobicContact CH2-CB 3.84Å; W193-V200 HydrophobicContact CH2-CG1 3.92Å; W193-V200 HydrophobicContact CZ3-CB 4.1Å; W193-V200 HydrophobicContact CZ3-CG1 3.66Å; N198-V200 PolarHBondContact O-N 2.85Å; N198-V200 WeakPolarHBondContact OD1-CB 3.31Å; N198-V200 PolarHBondContact OD1-N 2.75Å; V200-S202 VanDerWaalsContact C-N 3.32Å; V200-S202 PolarHBondContact O-N 3.4Å; V200-S203 WeakPolarHBondContact O-CB 3.42Å; V200-S203 PolarHBondContact O-N 3.4Å; V200-I204 HydrophobicContact CG1-CD1 4.35Å; V200-I204 PolarHBondContact O-N 2.97Å
201	L	98.6	Very high	98.2	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-56.6	-46.3	175.5	175	60.6	0	0	0	111.6	W193 N198 S203 I204 M205 V217 T219 P225	W193-L201 HydrophobicContact CB-CD1 3.9Å; W193-L201 HydrophobicContact CD2-CB 4.03Å; W193-L201 HydrophobicContact CD2-CD1 4.04Å; W193-L201 HydrophobicContact CD2-CG 4.47Å; W193-L201 HydrophobicContact CG-CB 4.43Å; W193-L201 HydrophobicContact CG-CD1 3.66Å; W193-L201 HydrophobicContact CG-CD2 4.42Å; W193-L201 HydrophobicContact CG-CG 4.36Å; W193-L201 HydrophobicContact CH2-CB 4.43Å; W193-L201 HydrophobicContact CZ2-CB 3.95Å; N198-L201 PolarHBondContact O-N 3.2Å; N198-L201 PolarHBondContact OD1-N 2.7Å; L201-S203 PolarHBondContact O-N 3.48Å; L201-I204 WeakPolarHBondContact O-CB 3.38Å; L201-I204 PolarHBondContact O-N 3.21Å; L201-M205 HydrophobicContact CD1-CG 3.76Å; L201-M205 HydrophobicContact CD1-SD 3.97Å; L201-M205 HydrophobicContact CD2-SD 4.06Å; L201-M205 HydrophobicContact CG-CG 4.03Å; L201-M205 HydrophobicContact CG-SD 3.72Å; L201-M205 WeakPolarHBondContact O-CB 3.31Å; L201-M205 WeakPolarHBondContact O-CG 3.48Å; L201-M205 PolarHBondContact O-N 3.03Å; L201-V217 HydrophobicContact CD1-CG1 3.96Å; L201-V217 HydrophobicContact CD1-CG2 3.87Å; L201-V217 HydrophobicContact CD2-CG1 3.55Å; L201-V217 HydrophobicContact CG-CG1 4.41Å; L201-T219 HydrophobicContact CD2-CG2 4.24Å; L201-P225 HydrophobicContact CD2-CB 3.94Å; L201-P225 HydrophobicContact CD2-CG 4.11Å
202	S	98.4	Very high	98.1	Very high	8 Å²	8	4.4 Å²	4.4	6%	0.056	3%	0.031	C	C	.	.	H	α-helix	trans	-57.8	-33.3	179	-63.9	0	0	0	0	112.5	S166 N198 V200 T206	S166-S202 WeakPolarHBondContact O-CB 3.22Å; N198-S202 WeakPolarHBondContact O-CB 3.42Å; N198-S202 PolarHBondContact O-N 3.17Å; N198-S202 PolarHBondContact O-OG 3.16Å; V200-S202 VanDerWaalsContact C-N 3.32Å; V200-S202 PolarHBondContact O-N 3.4Å; S202-T206 WeakPolarHBondContact O-CG2 3.37Å; S202-T206 PolarHBondContact O-N 3.47Å; S202-T206 VanDerWaalsContact O-N 3.16Å; S202-T206 PolarHBondContact O-OG1 3.37Å
203	S	98.7	Very high	98.1	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-75.8	-36	176.7	-55.2	0	0	0	0	112.5	H168 N199 V200 L201 T206 S207	H168-S203 PolarHBondContact N-OG 2.88Å; N199-S203 WeakPolarHBondContact O-CB 3.33Å; N199-S203 PolarHBondContact O-N 3.37Å; N199-S203 VanDerWaalsContact O-N 3.13Å; N199-S203 PolarHBondContact O-OG 3.46Å; V200-S203 WeakPolarHBondContact O-CB 3.42Å; V200-S203 PolarHBondContact O-N 3.4Å; L201-S203 PolarHBondContact O-N 3.48Å; S203-T206 PolarHBondContact O-OG1 3.32Å; S203-S207 PolarHBondContact O-OG 2.89Å
204	I	98.8	Very high	98.1	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-64.2	-49.6	171.8	-63.1	170.4	0	0	0	109.6	I172 V191 W193 V200 L201 T206 S207 A208 L215 I261	I172-I204 HydrophobicContact CD1-CD1 4.19Å; I172-I204 HydrophobicContact CD1-CG1 3.43Å; I172-I204 VanDerWaalsContact CD1-CG1 3.43Å; I172-I204 HydrophobicContact CG1-CG1 4.19Å; V191-I204 HydrophobicContact CG1-CG2 4.49Å; W193-I204 HydrophobicContact CE3-CD1 3.81Å; W193-I204 HydrophobicContact CZ3-CD1 4.12Å; V200-I204 HydrophobicContact CG1-CD1 4.35Å; V200-I204 PolarHBondContact O-N 2.97Å; L201-I204 WeakPolarHBondContact O-CB 3.38Å; L201-I204 PolarHBondContact O-N 3.21Å; I204-T206 VanDerWaalsContact C-N 3.27Å; I204-T206 PolarHBondContact O-N 2.93Å; I204-S207 PolarHBondContact O-N 2.98Å; I204-S207 PolarHBondContact O-OG 2.78Å; I204-A208 HydrophobicContact CG2-CB 4.12Å; I204-A208 VanDerWaalsContact O-CB 3.32Å; I204-A208 WeakPolarHBondContact O-CB 3.41Å; I204-A208 PolarHBondContact O-N 3.26Å; I204-L215 HydrophobicContact CG2-CD1 3.62Å; I204-L215 HydrophobicContact CG2-CD2 4.09Å; I204-I261 HydrophobicContact CD1-CD1 4.14Å; I204-I261 HydrophobicContact CD1-CG2 4.49Å
205	M	98.8	Very high	98.1	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-55.7	-39.5	-179.6	-80.3	-174.3	83.9	0	0	112.7	L201 S207 L215 P225 I229 T233	L201-M205 HydrophobicContact CD1-CG 3.76Å; L201-M205 HydrophobicContact CD1-SD 3.97Å; L201-M205 HydrophobicContact CD2-SD 4.06Å; L201-M205 HydrophobicContact CG-CG 4.03Å; L201-M205 HydrophobicContact CG-SD 3.72Å; L201-M205 WeakPolarHBondContact O-CB 3.31Å; L201-M205 WeakPolarHBondContact O-CG 3.48Å; L201-M205 PolarHBondContact O-N 3.03Å; M205-S207 VanDerWaalsContact C-N 3.3Å; M205-S207 PolarHBondContact O-N 3.11Å; M205-L215 HydrophobicContact CB-CD2 4.34Å; M205-L215 HydrophobicContact CG-CD2 3.59Å; M205-P225 HydrophobicContact CE-CB 4.14Å; M205-P225 HydrophobicContact CE-CG 3.92Å; M205-P225 HydrophobicContact SD-CB 3.55Å; M205-P225 VanDerWaalsContact SD-CB 3.55Å; M205-P225 HydrophobicContact SD-CG 3.76Å; M205-I229 HydrophobicContact CB-CG2 3.66Å; M205-I229 HydrophobicContact CE-CG2 4.18Å; M205-I229 HydrophobicContact CG-CG2 4.41Å; M205-I229 HydrophobicContact SD-CG2 3.95Å; M205-T233 HydrophobicContact CB-CG2 4.24Å; M205-T233 VanDerWaalsContact CB-OG1 3.3Å; M205-T233 WeakPolarHBondContact CB-OG1 3.38Å; M205-T233 HydrophobicContact CE-CG2 4.26Å; M205-T233 WeakPolarHBondContact CE-OG1 3.36Å; M205-T233 HydrophobicContact CG-CG2 4.39Å; M205-T233 WeakPolarHBondContact O-CG2 3.44Å; M205-T233 PolarHBondContact O-OG1 3.07Å
206	T	97.6	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-2	-179.9	51.6	0	0	0	0	114.9	L46 Y167 S202 S203 I204 K210 I229	L46-T206 HydrophobicContact CB-CG2 4.42Å; L46-T206 HydrophobicContact CD1-CG2 4.23Å; Y167-T206 HydrophobicContact CE1-CG2 4.37Å; S202-T206 WeakPolarHBondContact O-CG2 3.37Å; S202-T206 PolarHBondContact O-N 3.47Å; S202-T206 VanDerWaalsContact O-N 3.16Å; S202-T206 PolarHBondContact O-OG1 3.37Å; S203-T206 PolarHBondContact O-OG1 3.32Å; I204-T206 VanDerWaalsContact C-N 3.27Å; I204-T206 PolarHBondContact O-N 2.93Å; T206-K210 VanDerWaalsContact O-CE 3.28Å; T206-K210 WeakPolarHBondContact O-CE 3.41Å; T206-K210 PolarHBondContact O-NZ 2.82Å; T206-I229 HydrophobicContact CG2-CD1 4.16Å; T206-I229 HydrophobicContact CG2-CG2 4.2Å
207	S	98.6	Very high	98.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.7	-27.9	-172.6	62.3	0	0	0	0	116.4	Y176 S203 I204 M205 A209 K210	Y176-S207 WeakPolarHBondContact CE2-OG 3.36Å; Y176-S207 PolarHBondContact OH-OG 3.28Å; S203-S207 PolarHBondContact O-OG 2.89Å; I204-S207 PolarHBondContact O-N 2.98Å; I204-S207 PolarHBondContact O-OG 2.78Å; M205-S207 VanDerWaalsContact C-N 3.3Å; M205-S207 PolarHBondContact O-N 3.11Å; S207-A209 PolarHBondContact O-N 3.18Å; S207-K210 WeakPolarHBondContact O-CB 3.45Å; S207-K210 PolarHBondContact O-N 3.5Å; S207-K210 VanDerWaalsContact O-N 3.09Å
208	A	98.6	Very high	98.3	Very high	2 Å²	2	8.4 Å²	8.4	2%	0.017	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-48	-174.5	0	0	0	0	0	112.9	Y176 I204 K210 L211 G212 M213	Y176-A208 VanDerWaalsContact OH-CA 3.29Å; Y176-A208 WeakPolarHBondContact OH-CA 3.42Å; Y176-A208 WeakPolarHBondContact OH-CB 3.28Å; Y176-A208 PolarHBondContact OH-N 3.1Å; I204-A208 HydrophobicContact CG2-CB 4.12Å; I204-A208 VanDerWaalsContact O-CB 3.32Å; I204-A208 WeakPolarHBondContact O-CB 3.41Å; I204-A208 PolarHBondContact O-N 3.26Å; A208-K210 VanDerWaalsContact C-N 3.28Å; A208-K210 PolarHBondContact O-N 3.25Å; A208-L211 CarbonylContact O-C 3.52Å; A208-L211 PolarHBondContact O-N 3.39Å; A208-G212 PolarHBondContact O-N 2.88Å; A208-M213 HydrophobicContact CB-CB 4.2Å; A208-M213 HydrophobicContact CB-CE 4.15Å; A208-M213 PolarHBondContact O-N 3.47Å; A208-M213 VanDerWaalsContact O-N 3.07Å
209	A	98.6	Very high	98.4	Very high	4 Å²	4	8 Å²	8	3%	0.033	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-61.3	-35.6	179	0	0	0	0	0	112.5	S207 L211 G212 Y240 T242	S207-A209 PolarHBondContact O-N 3.18Å; A209-L211 PolarHBondContact O-N 3.07Å; A209-L211 VanDerWaalsContact O-N 3.12Å; A209-G212 PolarHBondContact O-N 3.04Å; A209-Y240 HydrophobicContact CB-CD2 4.47Å; A209-Y240 WeakPolarHBondContact O-CB 3.12Å; A209-Y240 VanDerWaalsContact O-CG 3.24Å; A209-T242 HydrophobicContact CB-CG2 4.45Å; A209-T242 WeakPolarHBondContact CB-OG1 3.41Å
210	K	98.5	Very high	98.6	Very high	4 Å²	4	7.3 Å²	7.3	2%	0.017	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-62.1	-21.9	177.2	-58.7	178	-180	176.6	0	112.3	L45 L46 Y48 S50 L53 T206 S207 A208 Y236 Y240	L45-K210 PolarHBondContact O-NZ 3.24Å; L46-K210 PolarHBondContact O-NZ 3.33Å; Y48-K210 WeakPolarHBondContact O-CD 3.33Å; Y48-K210 PolarHBondContact O-NZ 2.96Å; S50-K210 WeakPolarHBondContact CB-O 3.46Å; S50-K210 PolarHBondContact OG-O 3.27Å; L53-K210 HydrophobicContact CD1-CB 4.07Å; L53-K210 HydrophobicContact CD1-CD 3.94Å; T206-K210 VanDerWaalsContact O-CE 3.28Å; T206-K210 WeakPolarHBondContact O-CE 3.41Å; T206-K210 PolarHBondContact O-NZ 2.82Å; S207-K210 WeakPolarHBondContact O-CB 3.45Å; S207-K210 PolarHBondContact O-N 3.5Å; S207-K210 VanDerWaalsContact O-N 3.09Å; A208-K210 VanDerWaalsContact C-N 3.28Å; A208-K210 PolarHBondContact O-N 3.25Å; K210-Y236 WeakPolarHBondContact CE-OH 3.4Å; K210-Y236 PolarHBondContact NZ-OH 3.03Å; K210-Y240 HydrophobicContact CB-CE2 4.44Å; K210-Y240 HydrophobicContact CG-CE2 3.93Å
211	L	98.4	Very high	98.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-104.8	14.2	176.4	-61.9	173.8	0	0	0	112.6	L53 R54 L57 Y176 L186 A208 A209 M213	L53-L211 HydrophobicContact CB-CD2 4.22Å; R54-L211 HydrophobicContact CG-CD2 3.76Å; L57-L211 HydrophobicContact CD1-CD1 4.23Å; Y176-L211 HydrophobicContact CD2-CD1 3.2Å; Y176-L211 HydrophobicContact CE2-CD1 3.52Å; Y176-L211 HydrophobicContact CG-CD1 3.98Å; L186-L211 HydrophobicContact CB-CB 4.46Å; L186-L211 HydrophobicContact CD1-CB 4.31Å; L186-L211 HydrophobicContact CD1-CD1 3.77Å; L186-L211 HydrophobicContact CD1-CG 4.49Å; A208-L211 CarbonylContact O-C 3.52Å; A208-L211 PolarHBondContact O-N 3.39Å; A209-L211 PolarHBondContact O-N 3.07Å; A209-L211 VanDerWaalsContact O-N 3.12Å; L211-M213 VanDerWaalsContact C-N 3.3Å; L211-M213 HydrophobicContact CB-CE 4.11Å; L211-M213 HydrophobicContact CD1-CE 4.33Å; L211-M213 PolarHBondContact O-N 3.5Å
212	G	98.4	Very high	98.3	Very high	8 Å²	8	18.1 Å²	18.1	8%	0.082	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	14.7	176.5	0	0	0	0	0	114.5	N187 G188 A208 A209	N187-G212 WeakPolarHBondContact OD1-CA 3.44Å; G188-G212 PolarHBondContact N-O 3.46Å; A208-G212 PolarHBondContact O-N 2.88Å; A209-G212 PolarHBondContact O-N 3.04Å
213	M	98.8	Very high	98.3	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.104	C	C	.	.			trans	-87.9	142.1	178.8	-67.2	-177.2	-67	0	0	112	Y176 L186 L189 V191 A208 L211 T242	Y176-M213 HydrophobicContact CD1-CE 3.73Å; Y176-M213 HydrophobicContact CD2-CE 4.34Å; Y176-M213 HydrophobicContact CE1-CE 3.3Å; Y176-M213 HydrophobicContact CE1-SD 4.43Å; Y176-M213 HydrophobicContact CE2-CE 3.93Å; Y176-M213 HydrophobicContact CG-CE 4.23Å; L186-M213 HydrophobicContact CB-CG 4.21Å; L186-M213 HydrophobicContact CB-SD 4.09Å; L186-M213 HydrophobicContact CD2-SD 4.25Å; L186-M213 WeakPolarHBondContact O-CG 3.32Å; L189-M213 HydrophobicContact CB-CG 4.13Å; L189-M213 HydrophobicContact CB-SD 4.41Å; L189-M213 CarbonylContact O-C 3.03Å; L189-M213 WeakPolarHBondContact O-CA 3.37Å; V191-M213 HydrophobicContact CG2-SD 4.01Å; A208-M213 HydrophobicContact CB-CB 4.2Å; A208-M213 HydrophobicContact CB-CE 4.15Å; A208-M213 PolarHBondContact O-N 3.47Å; A208-M213 VanDerWaalsContact O-N 3.07Å; L211-M213 VanDerWaalsContact C-N 3.3Å; L211-M213 HydrophobicContact CB-CE 4.11Å; L211-M213 HydrophobicContact CD1-CE 4.33Å; L211-M213 PolarHBondContact O-N 3.5Å; M213-T242 VanDerWaalsContact O-CB 3.27Å; M213-T242 WeakPolarHBondContact O-CB 3.18Å; M213-T242 WeakPolarHBondContact O-CG2 3.28Å; M213-T242 PolarHBondContact O-OG1 2.77Å
214	H	98.9	Very high	98.2	Very high	42 Å²	42	24 Å²	24	19%	0.194	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	147.5	166.4	-51.6	-67.7	0	0	0	109.9	L189 T190 V191 K243	L189-H214 PolarHBondContact O-N 3.4Å; T190-H214 HydrophobicContact CG2-CB 4.31Å; V191-H214 PolarHBondContact N-O 2.69Å; H214-K243 WeakPolarHBondContact CA-O 3.27Å; H214-K243 HydrophobicContact CB-CB 4.28Å; H214-K243 PolarHBondContact ND1-N 3Å
215	L	98.9	Very high	98.1	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.5	-179.8	-174.8	61.1	0	0	0	110.8	V191 I204 M205 V217 T233 K243 L244 L245	V191-L215 HydrophobicContact CB-CD1 4.08Å; V191-L215 HydrophobicContact CG1-CD1 4.03Å; V191-L215 CarbonylContact O-C 3.38Å; V191-L215 WeakPolarHBondContact O-CA 3.42Å; I204-L215 HydrophobicContact CG2-CD1 3.62Å; I204-L215 HydrophobicContact CG2-CD2 4.09Å; M205-L215 HydrophobicContact CB-CD2 4.34Å; M205-L215 HydrophobicContact CG-CD2 3.59Å; L215-V217 HydrophobicContact CD1-CG2 4.28Å; L215-V217 HydrophobicContact CD2-CG2 4.04Å; L215-V217 HydrophobicContact CG-CG2 3.8Å; L215-T233 HydrophobicContact CD2-CG2 4.37Å; L215-K243 PolarHBondContact N-O 2.88Å; L215-L244 HydrophobicContact CB-CD1 4.06Å; L215-L244 HydrophobicContact CD2-CD1 4.09Å; L215-L244 HydrophobicContact CG-CD1 4.16Å; L215-L244 CarbonylContact O-C 3.54Å; L215-L244 VanDerWaalsContact O-CA 3.28Å; L215-L244 WeakPolarHBondContact O-CA 3.37Å; L215-L245 PolarHBondContact O-N 3.42Å
216	R	98.9	Very high	98	Very high	63 Å²	63	27.1 Å²	27.1	24%	0.238	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.8	171.6	-52.8	-172.9	-175.8	-175.4	18	108.5	T190 V191 A192 W193 L245 A253 N255	T190-R216 HydrophobicContact CG2-CG 3.99Å; V191-R216 PolarHBondContact O-N 3.06Å; A192-R216 CarbonylContact C-O 3.57Å; A192-R216 VanDerWaalsContact CA-O 3.3Å; A192-R216 WeakPolarHBondContact CA-O 3.44Å; W193-R216 PolarHBondContact N-O 3.39Å; R216-L245 CarbonylContact C-O 3.57Å; R216-L245 WeakPolarHBondContact CA-O 3.32Å; R216-L245 HydrophobicContact CB-CB 4.22Å; R216-L245 HydrophobicContact CB-CD2 4.43Å; R216-L245 HydrophobicContact CG-CB 4.04Å; R216-L245 HydrophobicContact CG-CD2 4.33Å; R216-A253 HydrophobicContact CB-CB 4.27Å; R216-A253 VanDerWaalsContact CD-O 3.3Å; R216-A253 WeakPolarHBondContact CD-O 3.36Å; R216-N255 VanDerWaalsContact CZ-O 3.23Å; R216-N255 PolarHBondContact NH1-O 3.28Å; R216-N255 PolarHBondContact NH2-O 3.37Å
217	V	98.9	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118.9	-171.8	-173.5	0	0	0	0	108.4	W193 L201 L215 T219 L245 L246 T247	W193-V217 HydrophobicContact CB-CG1 4.34Å; W193-V217 HydrophobicContact CB-CG2 4.49Å; W193-V217 HydrophobicContact CG-CG1 4.34Å; W193-V217 CarbonylContact O-C 3.56Å; W193-V217 WeakPolarHBondContact O-CA 3.41Å; L201-V217 HydrophobicContact CD1-CG1 3.96Å; L201-V217 HydrophobicContact CD1-CG2 3.87Å; L201-V217 HydrophobicContact CD2-CG1 3.55Å; L201-V217 HydrophobicContact CG-CG1 4.41Å; L215-V217 HydrophobicContact CD1-CG2 4.28Å; L215-V217 HydrophobicContact CD2-CG2 4.04Å; L215-V217 HydrophobicContact CG-CG2 3.8Å; V217-T219 HydrophobicContact CG1-CG2 3.81Å; V217-L245 PolarHBondContact N-O 3.46Å; V217-L246 HydrophobicContact CB-CD2 3.62Å; V217-L246 HydrophobicContact CG1-CD2 4.3Å; V217-L246 HydrophobicContact CG2-CD2 3.74Å; V217-T247 WeakPolarHBondContact O-CG2 3.14Å; V217-T247 PolarHBondContact O-N 3.38Å
218	A	98.8	Very high	97.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.7	165	0	0	0	0	0	109.4	W193 I194 G195 T247 A253 Y284	W193-A218 PolarHBondContact O-N 3.27Å; I194-A218 HydrophobicContact CG1-CB 4.34Å; I194-A218 HydrophobicContact CG2-CB 4.48Å; G195-A218 PolarHBondContact N-O 3.01Å; A218-T247 WeakPolarHBondContact CA-O 3.42Å; A218-T247 HydrophobicContact CB-CG2 4.16Å; A218-A253 HydrophobicContact CB-CB 3.64Å; A218-Y284 HydrophobicContact CB-CE1 4.12Å
219	T	98.6	Very high	97.8	Very high	7 Å²	7	41 Å²	41	4%	0.043	21%	0.205	C	C	.	.			trans	-124.7	142.3	169.7	57.4	0	0	0	0	110.3	G195 L201 V217 F223 T247 Y284	G195-T219 WeakPolarHBondContact O-CA 2.97Å; G195-T219 WeakPolarHBondContact O-CG2 3.34Å; L201-T219 HydrophobicContact CD2-CG2 4.24Å; V217-T219 HydrophobicContact CG1-CG2 3.81Å; T219-F223 WeakPolarHBondContact CB-O 3.33Å; T219-T247 PolarHBondContact N-O 3.49Å; T219-T247 VanDerWaalsContact N-O 3.17Å; T219-Y284 VanDerWaalsContact C-OH 3.24Å; T219-Y284 PolarHBondContact O-OH 2.85Å
220	P	97.8	Very high	97.8	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.032	21%	0.207	C	C	.	.			trans	-58.3	153.4	170.4	-21.1	32.3	0	0	0	111.4	G195 G222 F223 A280 F281 Y284	G195-P220 WeakPolarHBondContact O-CD 3.3Å; P220-G222 PolarHBondContact O-N 2.92Å; P220-F223 HydrophobicContact CB-CB 4.47Å; P220-F223 HydrophobicContact CB-CD2 3.96Å; P220-F223 PolarHBondContact O-N 3.25Å; P220-A280 HydrophobicContact CB-CB 4.48Å; P220-F281 HydrophobicContact CG-CD1 3.81Å; P220-F281 HydrophobicContact CG-CD2 3.77Å; P220-F281 HydrophobicContact CG-CE1 3.9Å; P220-F281 HydrophobicContact CG-CE2 3.85Å; P220-F281 HydrophobicContact CG-CG 3.77Å; P220-F281 HydrophobicContact CG-CZ 3.91Å; P220-Y284 WeakPolarHBondContact CA-OH 3.5Å; P220-Y284 HydrophobicContact CB-CE2 4.3Å; P220-Y284 VanDerWaalsContact CD-CE1 3.41Å; P220-Y284 HydrophobicContact CG-CD1 4.06Å; P220-Y284 HydrophobicContact CG-CD2 4.08Å; P220-Y284 HydrophobicContact CG-CE1 3.77Å; P220-Y284 HydrophobicContact CG-CE2 3.82Å; P220-Y284 HydrophobicContact CG-CG 4.22Å
221	K	96.6	Very high	97.8	Very high	168 Å²	168	49.2 Å²	49.2	73%	0.73	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	131.2	175.4	-69.7	-176.2	178.2	178.2	0	110.5	F223 E224 T248	K221-F223 VanDerWaalsContact C-N 3.33Å; K221-E224 WeakPolarHBondContact CA-OE1 3.48Å; K221-T248 HydrophobicContact CG-CG2 3.81Å
222	G	95.8	Very high	97.8	Very high	62 Å²	62	51 Å²	51	64%	0.639	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.6	-1.7	-175.8	0	0	0	0	0	114.7	P220 E224	P220-G222 PolarHBondContact O-N 2.92Å; G222-E224 VanDerWaalsContact C-OE2 3.22Å; G222-E224 WeakPolarHBondContact CA-OE2 3.4Å; G222-E224 VanDerWaalsContact N-CD 3.26Å; G222-E224 PolarHBondContact N-OE1 3.16Å; G222-E224 PolarHBondContact N-OE2 3.44Å
223	F	96.4	Very high	97.8	Very high	30 Å²	30	50.8 Å²	50.8	13%	0.132	24%	0.243	C	C	.	.			trans	-119.8	26	177.5	-63.9	-92.8	0	0	0	111.2	D196 G197 T219 P220 K221 R277 A280 F281	D196-F223 WeakPolarHBondContact OD1-CD1 3.36Å; G197-F223 WeakPolarHBondContact CA-O 3.47Å; G197-F223 PolarHBondContact N-O 3.04Å; T219-F223 WeakPolarHBondContact CB-O 3.33Å; P220-F223 HydrophobicContact CB-CB 4.47Å; P220-F223 HydrophobicContact CB-CD2 3.96Å; P220-F223 PolarHBondContact O-N 3.25Å; K221-F223 VanDerWaalsContact C-N 3.33Å; F223-R277 HydrophobicContact CE1-CG 3.82Å; F223-R277 HydrophobicContact CZ-CG 4.06Å; F223-A280 HydrophobicContact CD2-CB 4.33Å; F223-A280 HydrophobicContact CE2-CB 3.6Å; F223-A280 HydrophobicContact CZ-CB 4.23Å; F223-F281 HydrophobicContact CB-CE2 4.43Å; F223-F281 HydrophobicContact CB-CZ 4.24Å; F223-F281 AromaticContact CD1-CE2 3.66Å; F223-F281 HydrophobicContact CD1-CE2 3.66Å; F223-F281 AromaticContact CD1-CZ 3.91Å; F223-F281 HydrophobicContact CD1-CZ 3.91Å; F223-F281 HydrophobicContact CD2-CE2 4Å; F223-F281 AromaticContact CE1-CE2 3.83Å; F223-F281 HydrophobicContact CE1-CE2 3.83Å; F223-F281 HydrophobicContact CE1-CZ 4.47Å; F223-F281 HydrophobicContact CE2-CE2 4.15Å; F223-F281 AromaticContact CG-CE2 3.75Å; F223-F281 HydrophobicContact CG-CE2 3.75Å; F223-F281 HydrophobicContact CG-CZ 4Å; F223-F281 HydrophobicContact CZ-CE2 4.06Å
224	E	97.7	Very high	97.8	Very high	101 Å²	101	55 Å²	55	47%	0.472	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-67.1	152.2	179.9	-59.6	82.9	-179.2	0	0	111.8	K221 G222	K221-E224 WeakPolarHBondContact CA-OE1 3.48Å; G222-E224 VanDerWaalsContact C-OE2 3.22Å; G222-E224 WeakPolarHBondContact CA-OE2 3.4Å; G222-E224 VanDerWaalsContact N-CD 3.26Å; G222-E224 PolarHBondContact N-OE1 3.16Å; G222-E224 PolarHBondContact N-OE2 3.44Å
225	P	96.8	Very high	97.7	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.039	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-60.8	153.8	171.8	25.2	-34.2	0	0	0	112.2	L201 M205 L227	L201-P225 HydrophobicContact CD2-CB 3.94Å; L201-P225 HydrophobicContact CD2-CG 4.11Å; M205-P225 HydrophobicContact CE-CB 4.14Å; M205-P225 HydrophobicContact CE-CG 3.92Å; M205-P225 HydrophobicContact SD-CB 3.55Å; M205-P225 VanDerWaalsContact SD-CB 3.55Å; M205-P225 HydrophobicContact SD-CG 3.76Å; P225-L227 PolarHBondContact O-N 2.92Å
226	D	96.3	Very high	97.7	Very high	63 Å²	63	59.5 Å²	59.5	34%	0.337	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-49.4	129.6	176.3	175.1	-62.4	0	0	0	111.2	R228 I229 T230	D226-R228 PolarHBondContact O-N 2.91Å; D226-R228 VanDerWaalsContact O-N 3.15Å; D226-R228 WeakPolarHBondContact OD1-CA 3.47Å; D226-R228 WeakPolarHBondContact OD1-CB 3.49Å; D226-R228 WeakPolarHBondContact OD1-CG 3.35Å; D226-R228 PolarHBondContact OD1-N 3.19Å; D226-R228 IonicContact OD1-NE 2.78Å; D226-R228 PolarHBondContact OD1-NE 2.79Å; D226-R228 IonicContact OD1-NH2 2.7Å; D226-R228 IonicContact OD2-CZ 3.67Å; D226-R228 IonicContact OD2-NE 3.19Å; D226-R228 PolarHBondContact OD2-NE 3.47Å; D226-R228 IonicContact OD2-NH2 2.7Å; D226-R228 PolarHBondContact OD2-NH2 3.22Å; D226-I229 HydrophobicContact CB-CB 4.41Å; D226-I229 HydrophobicContact CB-CG1 3.92Å; D226-I229 WeakPolarHBondContact O-CA 3.28Å; D226-I229 WeakPolarHBondContact O-CB 3.46Å; D226-I229 PolarHBondContact O-N 2.71Å; D226-I229 PolarHBondContact OD1-N 3.03Å; D226-T230 PolarHBondContact O-N 3.46Å; D226-T230 PolarHBondContact O-OG1 3.04Å
227	L	96.9	Very high	97.7	Very high	123 Å²	123	56.9 Å²	56.9	64%	0.644	27%	0.274	S	S	*	.	H	α-helix	trans	-58.8	-30.3	-174.8	-71.7	174	0	0	0	113.6	P225 R231	P225-L227 PolarHBondContact O-N 2.92Å; L227-R231 VanDerWaalsContact O-CG 3.28Å; L227-R231 WeakPolarHBondContact O-CG 3.43Å; L227-R231 PolarHBondContact O-N 3.47Å
228	R	97	Very high	97.6	Very high	165 Å²	165	66 Å²	66	62%	0.623	31%	0.308	S	S	*	.	H	α-helix	trans	-68.4	-42.5	175.2	-55.8	171.5	-67.7	174	-1.1	109.8	D226 T230 R231 I232	D226-R228 PolarHBondContact O-N 2.91Å; D226-R228 VanDerWaalsContact O-N 3.15Å; D226-R228 WeakPolarHBondContact OD1-CA 3.47Å; D226-R228 WeakPolarHBondContact OD1-CB 3.49Å; D226-R228 WeakPolarHBondContact OD1-CG 3.35Å; D226-R228 PolarHBondContact OD1-N 3.19Å; D226-R228 IonicContact OD1-NE 2.78Å; D226-R228 PolarHBondContact OD1-NE 2.79Å; D226-R228 IonicContact OD1-NH2 2.7Å; D226-R228 IonicContact OD2-CZ 3.67Å; D226-R228 IonicContact OD2-NE 3.19Å; D226-R228 PolarHBondContact OD2-NE 3.47Å; D226-R228 IonicContact OD2-NH2 2.7Å; D226-R228 PolarHBondContact OD2-NH2 3.22Å; R228-T230 VanDerWaalsContact C-N 3.34Å; R228-R231 PolarHBondContact O-N 3.32Å; R228-I232 WeakPolarHBondContact O-CD1 3.4Å; R228-I232 VanDerWaalsContact O-CG1 3.27Å; R228-I232 WeakPolarHBondContact O-CG1 3.46Å; R228-I232 PolarHBondContact O-N 2.9Å
229	I	97.8	Very high	97.6	Very high	5 Å²	5	71.3 Å²	71.3	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-63.2	-42.8	176.2	-56.4	-55.7	0	0	0	110.9	Y167 M205 T206 D226 R231 I232 T233	Y167-I229 HydrophobicContact CE1-CD1 3.77Å; Y167-I229 VanDerWaalsContact OH-CD1 3.27Å; Y167-I229 WeakPolarHBondContact OH-CD1 3.48Å; M205-I229 HydrophobicContact CB-CG2 3.66Å; M205-I229 HydrophobicContact CE-CG2 4.18Å; M205-I229 HydrophobicContact CG-CG2 4.41Å; M205-I229 HydrophobicContact SD-CG2 3.95Å; T206-I229 HydrophobicContact CG2-CD1 4.16Å; T206-I229 HydrophobicContact CG2-CG2 4.2Å; D226-I229 HydrophobicContact CB-CB 4.41Å; D226-I229 HydrophobicContact CB-CG1 3.92Å; D226-I229 WeakPolarHBondContact O-CA 3.28Å; D226-I229 WeakPolarHBondContact O-CB 3.46Å; D226-I229 PolarHBondContact O-N 2.71Å; D226-I229 PolarHBondContact OD1-N 3.03Å; I229-R231 PolarHBondContact O-N 3.15Å; I229-I232 PolarHBondContact O-N 2.92Å; I229-T233 WeakPolarHBondContact O-CB 3.42Å; I229-T233 PolarHBondContact O-N 3.47Å; I229-T233 PolarHBondContact O-OG1 2.93Å
230	T	98.1	Very high	97.6	Very high	13 Å²	13	74.7 Å²	74.7	8%	0.08	35%	0.346	C	S	.	.	H	α-helix	trans	-56.3	-51.2	173.7	-65	0	0	0	0	111.7	D226 R228 I232 T233 E234 L246	D226-T230 PolarHBondContact O-N 3.46Å; D226-T230 PolarHBondContact O-OG1 3.04Å; R228-T230 VanDerWaalsContact C-N 3.34Å; T230-I232 VanDerWaalsContact C-N 3.34Å; T230-I232 PolarHBondContact O-N 3.26Å; T230-T233 WeakPolarHBondContact O-CB 3.44Å; T230-T233 PolarHBondContact O-N 3.01Å; T230-T233 VanDerWaalsContact O-N 3.07Å; T230-E234 WeakPolarHBondContact O-CG 3.34Å; T230-E234 PolarHBondContact O-N 3.47Å; T230-L246 HydrophobicContact CG2-CD1 3.56Å
231	R	98.3	Very high	97.6	Very high	167 Å²	167	77.5 Å²	77.5	63%	0.63	38%	0.375	S	S	*	.	H	α-helix	trans	-60.6	-41	178.8	-71.6	169.7	-177.4	177.3	2.4	112.9	L227 R228 I229 T233 E234 Q235	L227-R231 VanDerWaalsContact O-CG 3.28Å; L227-R231 WeakPolarHBondContact O-CG 3.43Å; L227-R231 PolarHBondContact O-N 3.47Å; R228-R231 PolarHBondContact O-N 3.32Å; I229-R231 PolarHBondContact O-N 3.15Å; R231-T233 VanDerWaalsContact C-N 3.32Å; R231-E234 PolarHBondContact O-N 3.33Å; R231-Q235 PolarHBondContact O-N 3.33Å
232	I	97.9	Very high	97.7	Very high	38 Å²	38	70.3 Å²	70.3	20%	0.195	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-42.9	174.9	-72.1	164.9	0	0	0	110.4	L46 R228 I229 T230 Q235 Y236	L46-I232 HydrophobicContact CD1-CD1 4.06Å; L46-I232 HydrophobicContact CD1-CG2 3.6Å; L46-I232 HydrophobicContact CD2-CD1 4.26Å; R228-I232 WeakPolarHBondContact O-CD1 3.4Å; R228-I232 VanDerWaalsContact O-CG1 3.27Å; R228-I232 WeakPolarHBondContact O-CG1 3.46Å; R228-I232 PolarHBondContact O-N 2.9Å; I229-I232 PolarHBondContact O-N 2.92Å; T230-I232 VanDerWaalsContact C-N 3.34Å; T230-I232 PolarHBondContact O-N 3.26Å; I232-Q235 WeakPolarHBondContact O-CB 3.18Å; I232-Q235 PolarHBondContact O-N 3.14Å; I232-Y236 HydrophobicContact CG2-CD2 3.77Å; I232-Y236 HydrophobicContact CG2-CE2 3.43Å; I232-Y236 VanDerWaalsContact CG2-CE2 3.43Å; I232-Y236 PolarHBondContact O-N 3.27Å
233	T	98.1	Very high	97.8	Very high	3 Å²	3	74.7 Å²	74.7	2%	0.018	35%	0.347	C	S	.	.	H	α-helix	trans	-67.4	-38.8	-178.8	-51.9	0	0	0	0	111.7	M205 L215 I229 T230 R231 Q235 Y236 S237 L244	M205-T233 HydrophobicContact CB-CG2 4.24Å; M205-T233 VanDerWaalsContact CB-OG1 3.3Å; M205-T233 WeakPolarHBondContact CB-OG1 3.38Å; M205-T233 HydrophobicContact CE-CG2 4.26Å; M205-T233 WeakPolarHBondContact CE-OG1 3.36Å; M205-T233 HydrophobicContact CG-CG2 4.39Å; M205-T233 WeakPolarHBondContact O-CG2 3.44Å; M205-T233 PolarHBondContact O-OG1 3.07Å; L215-T233 HydrophobicContact CD2-CG2 4.37Å; I229-T233 WeakPolarHBondContact O-CB 3.42Å; I229-T233 PolarHBondContact O-N 3.47Å; I229-T233 PolarHBondContact O-OG1 2.93Å; T230-T233 WeakPolarHBondContact O-CB 3.44Å; T230-T233 PolarHBondContact O-N 3.01Å; T230-T233 VanDerWaalsContact O-N 3.07Å; R231-T233 VanDerWaalsContact C-N 3.32Å; T233-Q235 VanDerWaalsContact C-N 3.33Å; T233-Y236 PolarHBondContact O-N 3.16Å; T233-S237 WeakPolarHBondContact O-CB 3.46Å; T233-S237 PolarHBondContact O-N 3.26Å; T233-S237 PolarHBondContact O-OG 2.83Å; T233-L244 HydrophobicContact CG2-CD1 3.81Å; T233-L244 HydrophobicContact CG2-CD2 3.79Å; T233-L244 HydrophobicContact CG2-CG 4.34Å
234	E	98.5	Very high	98	Very high	90 Å²	90	75.4 Å²	75.4	42%	0.421	35%	0.352	S	S	.	.	H	α-helix	trans	-63.2	-38.9	172.2	-70.3	172.2	168.2	0	0	112	T230 R231 R238 L244	T230-E234 WeakPolarHBondContact O-CG 3.34Å; T230-E234 PolarHBondContact O-N 3.47Å; R231-E234 PolarHBondContact O-N 3.33Å; E234-R238 WeakPolarHBondContact O-CG 3.34Å; E234-R238 PolarHBondContact O-N 2.98Å; E234-R238 PolarHBondContact O-NE 2.71Å; E234-L244 HydrophobicContact CG-CD2 3.76Å
235	Q	98.4	Very high	98	Very high	108 Å²	108	73 Å²	73	51%	0.505	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-52	173.4	178.5	-178	-16.5	0	0	110.9	R231 I232 T233 S237 R238 E239	R231-Q235 PolarHBondContact O-N 3.33Å; I232-Q235 WeakPolarHBondContact O-CB 3.18Å; I232-Q235 PolarHBondContact O-N 3.14Å; T233-Q235 VanDerWaalsContact C-N 3.33Å; Q235-S237 VanDerWaalsContact C-N 3.32Å; Q235-S237 PolarHBondContact O-N 2.88Å; Q235-R238 PolarHBondContact O-N 2.9Å; Q235-E239 PolarHBondContact O-N 3.11Å
236	Y	98.3	Very high	98.1	Very high	32 Å²	32	76.1 Å²	76.1	13%	0.125	36%	0.358	C	S	.	.	H	α-helix	trans	-63.2	-37.3	178.9	-67.8	-28.6	0	0	0	112.6	L46 K210 I232 T233 R238 E239 Y240	L46-Y236 HydrophobicContact CD1-CE2 3.98Å; L46-Y236 WeakPolarHBondContact CD1-OH 3.44Å; K210-Y236 WeakPolarHBondContact CE-OH 3.4Å; K210-Y236 PolarHBondContact NZ-OH 3.03Å; I232-Y236 HydrophobicContact CG2-CD2 3.77Å; I232-Y236 HydrophobicContact CG2-CE2 3.43Å; I232-Y236 VanDerWaalsContact CG2-CE2 3.43Å; I232-Y236 PolarHBondContact O-N 3.27Å; T233-Y236 PolarHBondContact O-N 3.16Å; Y236-R238 VanDerWaalsContact C-N 3.25Å; Y236-R238 PolarHBondContact O-N 3.09Å; Y236-E239 PolarHBondContact O-N 3.39Å; Y236-Y240 HydrophobicContact CD1-CE2 4.26Å; Y236-Y240 VanDerWaalsContact O-CD2 3.31Å; Y236-Y240 WeakPolarHBondContact O-CD2 3.38Å; Y236-Y240 PolarHBondContact O-N 3.12Å
237	S	98.2	Very high	98.2	Very high	9 Å²	9	74.1 Å²	74.1	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-60.9	-38.3	177	-58.7	0	0	0	0	111.5	T233 Q235 G241 T242	T233-S237 WeakPolarHBondContact O-CB 3.46Å; T233-S237 PolarHBondContact O-N 3.26Å; T233-S237 PolarHBondContact O-OG 2.83Å; Q235-S237 VanDerWaalsContact C-N 3.32Å; Q235-S237 PolarHBondContact O-N 2.88Å; S237-G241 CarbonylContact O-C 3.56Å; S237-G241 WeakPolarHBondContact O-CA 3.34Å; S237-G241 PolarHBondContact O-N 3.17Å; S237-T242 WeakPolarHBondContact CA-OG1 3.31Å; S237-T242 PolarHBondContact O-N 2.83Å
238	R	98.3	Very high	98.3	Very high	190 Å²	190	71.5 Å²	71.5	72%	0.717	34%	0.337	S	S	*	.	H	α-helix	trans	-69.3	-44.6	173.5	-72.1	178.9	-73.5	-170.5	-2	112.7	E234 Q235 Y236 G241	E234-R238 WeakPolarHBondContact O-CG 3.34Å; E234-R238 PolarHBondContact O-N 2.98Å; E234-R238 PolarHBondContact O-NE 2.71Å; Q235-R238 PolarHBondContact O-N 2.9Å; Y236-R238 VanDerWaalsContact C-N 3.25Å; Y236-R238 PolarHBondContact O-N 3.09Å; R238-G241 PolarHBondContact O-N 3.21Å
239	E	98.1	Very high	98.4	Very high	113 Å²	113	67.1 Å²	67.1	53%	0.528	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-44.1	-179	-175.6	-175	148.8	0	0	112.3	Q235 Y236	Q235-E239 PolarHBondContact O-N 3.11Å; Y236-E239 PolarHBondContact O-N 3.39Å
240	Y	98	Very high	98.4	Very high	78 Å²	78	67.7 Å²	67.7	31%	0.306	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	2.5	-176.5	-67	-86.3	0	0	0	113.5	A209 K210 Y236 T242	A209-Y240 HydrophobicContact CB-CD2 4.47Å; A209-Y240 WeakPolarHBondContact O-CB 3.12Å; A209-Y240 VanDerWaalsContact O-CG 3.24Å; K210-Y240 HydrophobicContact CB-CE2 4.44Å; K210-Y240 HydrophobicContact CG-CE2 3.93Å; Y236-Y240 HydrophobicContact CD1-CE2 4.26Å; Y236-Y240 VanDerWaalsContact O-CD2 3.31Å; Y236-Y240 WeakPolarHBondContact O-CD2 3.38Å; Y236-Y240 PolarHBondContact O-N 3.12Å; Y240-T242 VanDerWaalsContact C-N 3.3Å; Y240-T242 PolarHBondContact O-N 2.67Å
241	G	98.3	Very high	98.4	Very high	63 Å²	63	70.1 Å²	70.1	65%	0.649	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	27.7	178.5	0	0	0	0	0	114.4	S237 R238	S237-G241 CarbonylContact O-C 3.56Å; S237-G241 WeakPolarHBondContact O-CA 3.34Å; S237-G241 PolarHBondContact O-N 3.17Å; R238-G241 PolarHBondContact O-N 3.21Å
242	T	98.8	Very high	98.4	Very high	17 Å²	17	66.4 Å²	66.4	10%	0.104	33%	0.332	C	S	.	.			trans	-97.5	178.7	177.1	72.6	0	0	0	0	111.3	A209 M213 S237 Y240	A209-T242 HydrophobicContact CB-CG2 4.45Å; A209-T242 WeakPolarHBondContact CB-OG1 3.41Å; M213-T242 VanDerWaalsContact O-CB 3.27Å; M213-T242 WeakPolarHBondContact O-CB 3.18Å; M213-T242 WeakPolarHBondContact O-CG2 3.28Å; M213-T242 PolarHBondContact O-OG1 2.77Å; S237-T242 WeakPolarHBondContact CA-OG1 3.31Å; S237-T242 PolarHBondContact O-N 2.83Å; Y240-T242 VanDerWaalsContact C-N 3.3Å; Y240-T242 PolarHBondContact O-N 2.67Å
243	K	98.6	Very high	98.5	Very high	155 Å²	155	64.6 Å²	64.6	67%	0.674	32%	0.323	S	S	*	.			trans	-119.3	136	-175	-66.5	-179.5	-179.3	177.5	0	108.2	H214 L215	H214-K243 WeakPolarHBondContact CA-O 3.27Å; H214-K243 HydrophobicContact CB-CB 4.28Å; H214-K243 PolarHBondContact ND1-N 3Å; L215-K243 PolarHBondContact N-O 2.88Å
244	L	98.8	Very high	98.5	Very high	44 Å²	44	64.5 Å²	64.5	23%	0.23	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.3	171	-179.9	64.9	0	0	0	108.9	L215 T233 E234 L246	L215-L244 HydrophobicContact CB-CD1 4.06Å; L215-L244 HydrophobicContact CD2-CD1 4.09Å; L215-L244 HydrophobicContact CG-CD1 4.16Å; L215-L244 CarbonylContact O-C 3.54Å; L215-L244 VanDerWaalsContact O-CA 3.28Å; L215-L244 WeakPolarHBondContact O-CA 3.37Å; T233-L244 HydrophobicContact CG2-CD1 3.81Å; T233-L244 HydrophobicContact CG2-CD2 3.79Å; T233-L244 HydrophobicContact CG2-CG 4.34Å; E234-L244 HydrophobicContact CG-CD2 3.76Å; L244-L246 HydrophobicContact CD1-CD2 4.07Å; L244-L246 HydrophobicContact CG-CD2 4.4Å; L244-L246 HydrophobicContact CG-CG 4.45Å
245	L	98.8	Very high	98.5	Very high	50 Å²	50	64.8 Å²	64.8	26%	0.262	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.6	168.4	175.1	65.2	0	0	0	108.6	L215 R216 V217 E252	L215-L245 PolarHBondContact O-N 3.42Å; R216-L245 CarbonylContact C-O 3.57Å; R216-L245 WeakPolarHBondContact CA-O 3.32Å; R216-L245 HydrophobicContact CB-CB 4.22Å; R216-L245 HydrophobicContact CB-CD2 4.43Å; R216-L245 HydrophobicContact CG-CB 4.04Å; R216-L245 HydrophobicContact CG-CD2 4.33Å; V217-L245 PolarHBondContact N-O 3.46Å; L245-E252 HydrophobicContact CD2-CG 4.08Å
246	L	98.7	Very high	98.5	Very high	73 Å²	73	61.2 Å²	61.2	38%	0.382	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.9	167.8	-57.4	-176.3	0	0	0	107.9	V217 T230 L244	V217-L246 HydrophobicContact CB-CD2 3.62Å; V217-L246 HydrophobicContact CG1-CD2 4.3Å; V217-L246 HydrophobicContact CG2-CD2 3.74Å; T230-L246 HydrophobicContact CG2-CD1 3.56Å; L244-L246 HydrophobicContact CD1-CD2 4.07Å; L244-L246 HydrophobicContact CG-CD2 4.4Å; L244-L246 HydrophobicContact CG-CG 4.45Å
247	T	98.8	Very high	98.5	Very high	21 Å²	21	59.7 Å²	59.7	13%	0.129	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	170.6	-177.6	-176.4	0	0	0	0	110.7	V217 A218 T219 D249 E252 A253	V217-T247 WeakPolarHBondContact O-CG2 3.14Å; V217-T247 PolarHBondContact O-N 3.38Å; A218-T247 WeakPolarHBondContact CA-O 3.42Å; A218-T247 HydrophobicContact CB-CG2 4.16Å; T219-T247 PolarHBondContact N-O 3.49Å; T219-T247 VanDerWaalsContact N-O 3.17Å; T247-D249 WeakPolarHBondContact CG2-O 3.34Å; T247-D249 PolarHBondContact OG1-N 3.13Å; T247-D249 VanDerWaalsContact OG1-N 3.12Å; T247-E252 WeakPolarHBondContact CB-OE2 3.48Å; T247-E252 HydrophobicContact CG2-CB 4.24Å; T247-E252 PolarHBondContact OG1-OE2 2.94Å; T247-A253 HydrophobicContact CG2-CB 4.07Å
248	T	98.5	Very high	98.6	Very high	68 Å²	68	60.4 Å²	60.4	42%	0.417	32%	0.316	S	S	.	.	S	Bend	trans	-109.8	8.9	169.8	61.8	0	0	0	0	111.9	K221 Y284	K221-T248 HydrophobicContact CG-CG2 3.81Å; T248-Y284 VanDerWaalsContact C-OH 3.25Å; T248-Y284 WeakPolarHBondContact CA-OH 3.46Å; T248-Y284 PolarHBondContact O-OH 2.95Å
249	D	98.4	Very high	98.6	Very high	73 Å²	73	51.3 Å²	51.3	39%	0.39	28%	0.282	S	S	.	.			trans	-109.8	111.4	178.5	-174.2	-19.6	0	0	0	110.7	T247 L251 E252 A253	T247-D249 WeakPolarHBondContact CG2-O 3.34Å; T247-D249 PolarHBondContact OG1-N 3.13Å; T247-D249 VanDerWaalsContact OG1-N 3.12Å; D249-L251 VanDerWaalsContact C-N 3.26Å; D249-L251 PolarHBondContact O-N 2.9Å; D249-L251 WeakPolarHBondContact OD1-CB 3.29Å; D249-L251 PolarHBondContact OD1-N 2.93Å; D249-E252 HydrophobicContact CB-CB 3.82Å; D249-E252 PolarHBondContact O-N 2.92Å; D249-E252 PolarHBondContact OD1-N 2.79Å; D249-A253 PolarHBondContact O-N 3.02Å; D249-A253 VanDerWaalsContact O-N 3.13Å
250	P	98.6	Very high	98.6	Very high	17 Å²	17	46 Å²	46	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-54.3	-36.9	175.3	-30.2	38.5	0	0	0	114.6	I194 A254 Y284	I194-P250 HydrophobicContact CD1-CB 4.34Å; I194-P250 HydrophobicContact CG2-CB 3.8Å; I194-P250 HydrophobicContact CG2-CG 4.13Å; P250-A254 WeakPolarHBondContact O-CB 3.24Å; P250-A254 PolarHBondContact O-N 2.66Å; P250-Y284 HydrophobicContact CG-CD1 3.83Å; P250-Y284 HydrophobicContact CG-CD2 4Å; P250-Y284 HydrophobicContact CG-CE1 3.91Å; P250-Y284 HydrophobicContact CG-CE2 4.06Å; P250-Y284 HydrophobicContact CG-CG 3.86Å
251	L	98.5	Very high	98.7	Very high	63 Å²	63	42.6 Å²	42.6	33%	0.33	24%	0.244	S	C	.	.	H	α-helix	trans	-74.9	-33.4	-179	-63.3	-179.1	0	0	0	111.6	D249 A254 N255	D249-L251 VanDerWaalsContact C-N 3.26Å; D249-L251 PolarHBondContact O-N 2.9Å; D249-L251 WeakPolarHBondContact OD1-CB 3.29Å; D249-L251 PolarHBondContact OD1-N 2.93Å; L251-A254 PolarHBondContact O-N 3.22Å; L251-N255 WeakPolarHBondContact O-CB 3.26Å; L251-N255 PolarHBondContact O-N 3.27Å
252	E	98.7	Very high	98.7	Very high	90 Å²	90	39.6 Å²	39.6	42%	0.421	21%	0.213	S	C	.	.	H	α-helix	trans	-65.8	-42.1	173.8	-169.3	-172.8	-170.1	0	0	111.2	L245 T247 D249 N255	L245-E252 HydrophobicContact CD2-CG 4.08Å; T247-E252 WeakPolarHBondContact CB-OE2 3.48Å; T247-E252 HydrophobicContact CG2-CB 4.24Å; T247-E252 PolarHBondContact OG1-OE2 2.94Å; D249-E252 HydrophobicContact CB-CB 3.82Å; D249-E252 PolarHBondContact O-N 2.92Å; D249-E252 PolarHBondContact OD1-N 2.79Å; E252-N255 PolarHBondContact O-N 3.35Å
253	A	98.8	Very high	98.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-43.8	173.8	0	0	0	0	0	111.7	A192 I194 R216 A218 T247 D249 N255	A192-A253 VanDerWaalsContact CB-O 3.23Å; A192-A253 WeakPolarHBondContact CB-O 3.24Å; I194-A253 HydrophobicContact CG1-CB 4.33Å; R216-A253 HydrophobicContact CB-CB 4.27Å; R216-A253 VanDerWaalsContact CD-O 3.3Å; R216-A253 WeakPolarHBondContact CD-O 3.36Å; A218-A253 HydrophobicContact CB-CB 3.64Å; T247-A253 HydrophobicContact CG2-CB 4.07Å; D249-A253 PolarHBondContact O-N 3.02Å; D249-A253 VanDerWaalsContact O-N 3.13Å; A253-N255 VanDerWaalsContact C-N 3.34Å; A253-N255 PolarHBondContact O-N 2.84Å
254	A	98.8	Very high	98.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-28.3	-179.9	0	0	0	0	0	114	I194 P250 L251 G256 A257 L260 T290 A294	I194-A254 HydrophobicContact CD1-CB 4.23Å; P250-A254 WeakPolarHBondContact O-CB 3.24Å; P250-A254 PolarHBondContact O-N 2.66Å; L251-A254 PolarHBondContact O-N 3.22Å; A254-G256 PolarHBondContact O-N 2.89Å; A254-A257 VanDerWaalsContact O-CB 3.31Å; A254-A257 WeakPolarHBondContact O-CB 3.28Å; A254-A257 PolarHBondContact O-N 3.02Å; A254-L260 HydrophobicContact CB-CD2 3.93Å; A254-T290 HydrophobicContact CB-CG2 3.71Å; A254-A294 VanDerWaalsContact O-CA 3.31Å; A254-A294 WeakPolarHBondContact O-CA 3.27Å
255	N	98.7	Very high	98	Very high	96 Å²	96	31 Å²	31	51%	0.513	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	107.4	-168.3	-178.1	30.4	0	0	0	114.1	R216 L251 E252 A253 A257 S293	R216-N255 VanDerWaalsContact CZ-O 3.23Å; R216-N255 PolarHBondContact NH1-O 3.28Å; R216-N255 PolarHBondContact NH2-O 3.37Å; L251-N255 WeakPolarHBondContact O-CB 3.26Å; L251-N255 PolarHBondContact O-N 3.27Å; E252-N255 PolarHBondContact O-N 3.35Å; A253-N255 VanDerWaalsContact C-N 3.34Å; A253-N255 PolarHBondContact O-N 2.84Å; N255-A257 PolarHBondContact O-N 3.35Å; N255-S293 CarbonylContact C-O 3.48Å; N255-S293 VanDerWaalsContact CA-O 3.24Å; N255-S293 WeakPolarHBondContact CA-O 3.35Å
256	G	98.5	Very high	97.4	Very high	34 Å²	34	29 Å²	29	35%	0.351	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	16.4	-178.3	0	0	0	0	0	114.9	A254 S293	A254-G256 PolarHBondContact O-N 2.89Å; G256-S293 PolarHBondContact N-O 2.99Å
257	A	98.8	Very high	96.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.154	C	C	.	.			trans	-73.4	144.9	173.6	0	0	0	0	0	111.5	T190 A192 A254 N255 L260 A295	T190-A257 HydrophobicContact CG2-CB 4.04Å; A192-A257 HydrophobicContact CB-CB 3.51Å; A254-A257 VanDerWaalsContact O-CB 3.31Å; A254-A257 WeakPolarHBondContact O-CB 3.28Å; A254-A257 PolarHBondContact O-N 3.02Å; N255-A257 PolarHBondContact O-N 3.35Å; A257-L260 HydrophobicContact CB-CD2 4.3Å; A257-A295 VanDerWaalsContact O-CB 3.29Å; A257-A295 WeakPolarHBondContact O-CB 3.36Å; A257-A295 PolarHBondContact O-N 3.21Å
258	N	98.8	Very high	95.1	Very high	23 Å²	23	29.5 Å²	29.5	12%	0.123	17%	0.166	C	C	.	.	S	Bend	trans	-83.2	-32.8	173.7	-55	101.3	0	0	0	111.1	Y183 L189 T190 N297 W298 T299	Y183-N258 HydrophobicContact CE1-CB 4.48Å; Y183-N258 PolarHBondContact OH-O 2.98Å; L189-N258 HydrophobicContact CD2-CB 3.98Å; T190-N258 PolarHBondContact N-OD1 2.78Å; T190-N258 PolarHBondContact O-N 2.9Å; N258-N297 PolarHBondContact ND2-OD1 2.82Å; N258-W298 CarbonylContact O-C 3.59Å; N258-W298 WeakPolarHBondContact O-CA 3.27Å; N258-T299 PolarHBondContact O-N 3.32Å; N258-T299 PolarHBondContact O-OG1 2.65Å
259	V	98.9	Very high	94	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.7	-175.2	-168.3	0	0	0	0	109.3	L179 Y183 T190 V191 A192 I261 T299 L301	L179-V259 HydrophobicContact CD1-CG1 4.31Å; L179-V259 HydrophobicContact CD1-CG2 3.98Å; L179-V259 HydrophobicContact CD2-CB 4.32Å; L179-V259 HydrophobicContact CD2-CG1 3.79Å; L179-V259 HydrophobicContact CD2-CG2 3.51Å; L179-V259 HydrophobicContact CG-CG2 4.38Å; Y183-V259 HydrophobicContact CE2-CG2 4.09Å; T190-V259 PolarHBondContact O-N 3.27Å; T190-V259 VanDerWaalsContact O-N 3.11Å; V191-V259 HydrophobicContact CG2-CB 4.34Å; V191-V259 HydrophobicContact CG2-CG2 4.46Å; A192-V259 PolarHBondContact N-O 2.96Å; V259-I261 HydrophobicContact CG1-CD1 3.98Å; V259-I261 HydrophobicContact CG1-CG1 3.7Å; V259-T299 WeakPolarHBondContact CA-O 3.28Å; V259-L301 HydrophobicContact CG1-CD1 3.92Å; V259-L301 HydrophobicContact CG1-CG 4.03Å
260	L	98.9	Very high	93	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.6	170.1	-59	-176.8	0	0	0	108.8	A192 A254 A257 I286 T290 A291 A294 W298 T299 F300 L301	A192-L260 HydrophobicContact CB-CD2 3.95Å; A254-L260 HydrophobicContact CB-CD2 3.93Å; A257-L260 HydrophobicContact CB-CD2 4.3Å; L260-I286 HydrophobicContact CB-CD1 4.33Å; L260-I286 HydrophobicContact CD1-CG2 4.33Å; L260-T290 HydrophobicContact CD1-CG2 4.48Å; L260-A291 HydrophobicContact CD1-CB 4.23Å; L260-A294 HydrophobicContact CD1-CB 4.23Å; L260-A294 HydrophobicContact CD2-CB 4.18Å; L260-A294 HydrophobicContact CG-CB 4.34Å; L260-W298 HydrophobicContact CD1-CE3 4.17Å; L260-T299 PolarHBondContact N-O 2.87Å; L260-F300 HydrophobicContact CB-CD2 4.21Å; L260-F300 WeakPolarHBondContact O-CA 3.49Å; L260-F300 WeakPolarHBondContact O-CD2 3.43Å; L260-L301 PolarHBondContact O-N 3.38Å
261	I	98.9	Very high	92.2	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.036	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.5	-179.1	-47.8	-169.2	0	0	0	109.2	V191 A192 W193 I194 I204 V259 L301	V191-I261 HydrophobicContact CG1-CD1 3.45Å; V191-I261 VanDerWaalsContact CG1-CD1 3.45Å; V191-I261 HydrophobicContact CG1-CG1 3.96Å; A192-I261 PolarHBondContact O-N 2.95Å; W193-I261 WeakPolarHBondContact CA-O 3.25Å; W193-I261 HydrophobicContact CE3-CB 4.09Å; W193-I261 HydrophobicContact CE3-CG2 3.69Å; W193-I261 HydrophobicContact CZ3-CG2 3.74Å; I194-I261 PolarHBondContact N-O 3.3Å; I204-I261 HydrophobicContact CD1-CD1 4.14Å; I204-I261 HydrophobicContact CD1-CG2 4.49Å; V259-I261 HydrophobicContact CG1-CD1 3.98Å; V259-I261 HydrophobicContact CG1-CG1 3.7Å; I261-L301 HydrophobicContact CD1-CB 4.43Å; I261-L301 HydrophobicContact CD1-CD1 4.03Å; I261-L301 HydrophobicContact CG1-CB 4.12Å; I261-L301 HydrophobicContact CG1-CD1 4.45Å; I261-L301 HydrophobicContact CG2-CB 4.39Å
262	T	98.7	Very high	91.5	Very high	1 Å²	1	39 Å²	39	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	172.3	166.9	-163	0	0	0	0	110.3	I194 I286 F300 L301 E310 V311	I194-T262 VanDerWaalsContact O-CB 3.22Å; I194-T262 WeakPolarHBondContact O-CB 3.5Å; I194-T262 PolarHBondContact O-OG1 3.15Å; T262-I286 HydrophobicContact CG2-CD1 3.95Å; T262-I286 HydrophobicContact CG2-CG1 4.43Å; T262-F300 HydrophobicContact CG2-CE2 3.89Å; T262-F300 HydrophobicContact CG2-CZ 3.95Å; T262-L301 PolarHBondContact N-O 3.03Å; T262-E310 HydrophobicContact CG2-CB 3.97Å; T262-V311 HydrophobicContact CG2-CB 4.29Å
263	D	97.4	Very high	90.9	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.043	21%	0.213	C	C	.	.			trans	-152.3	165.3	178.7	-176	26.7	0	0	0	109.3	W193 N198 W265 C303 E310	W193-D263 HydrophobicContact CH2-CB 3.53Å; W193-D263 HydrophobicContact CZ2-CB 4.23Å; W193-D263 HydrophobicContact CZ3-CB 4.3Å; N198-D263 PolarHBondContact ND2-OD2 3.06Å; D263-W265 VanDerWaalsContact O-CD1 3.28Å; D263-W265 PolarHBondContact O-N 3.33Å; D263-C303 VanDerWaalsContact CG-SG 3.57Å; D263-C303 PolarHBondContact OD1-SG 2.89Å; D263-E310 WeakPolarHBondContact O-CG 3.16Å
264	T	93.4	Very high	90.3	Very high	15 Å²	15	43.7 Å²	43.7	9%	0.092	24%	0.235	C	C	.	.			trans	-49.1	121.6	177.7	-179.6	0	0	0	0	111.5	I266 K307 E310	T264-I266 PolarHBondContact O-N 3.49Å; T264-I266 PolarHBondContact OG1-N 3.08Å; T264-I266 PolarHBondContact OG1-O 3.15Å; T264-K307 PolarHBondContact OG1-NZ 2.89Å; T264-E310 WeakPolarHBondContact CA-OE1 3.25Å
265	W	90.4	Very high	89.8	Confident	12 Å²	12	52.4 Å²	52.4	5%	0.045	27%	0.273	C	S	.	.	S	Bend	trans	-68.9	-21.8	178.2	-54.8	-18.4	0	0	0	112.1	D263 R277 L278 F281 Q285 D309 E310	D263-W265 VanDerWaalsContact O-CD1 3.28Å; D263-W265 PolarHBondContact O-N 3.33Å; W265-R277 WeakPolarHBondContact O-CD 3.46Å; W265-R277 PolarHBondContact O-NH1 3.06Å; W265-L278 HydrophobicContact CE3-CD2 4.34Å; W265-L278 HydrophobicContact CZ3-CD2 4.49Å; W265-F281 HydrophobicContact CB-CD1 3.8Å; W265-F281 HydrophobicContact CB-CE1 3.9Å; W265-F281 HydrophobicContact CB-CG 4.17Å; W265-F281 HydrophobicContact CB-CZ 4.36Å; W265-F281 AromaticContact CD1-CD1 3.52Å; W265-F281 AromaticContact CD1-CE1 3.74Å; W265-F281 HydrophobicContact CD2-CB 3.6Å; W265-F281 AromaticContact CD2-CD1 3.45Å; W265-F281 HydrophobicContact CD2-CD1 3.45Å; W265-F281 VanDerWaalsContact CD2-CD1 3.45Å; W265-F281 HydrophobicContact CD2-CE1 4.34Å; W265-F281 AromaticContact CD2-CG 3.77Å; W265-F281 HydrophobicContact CD2-CG 3.77Å; W265-F281 AromaticContact CE2-CD1 3.74Å; W265-F281 HydrophobicContact CE3-CB 3.3Å; W265-F281 HydrophobicContact CE3-CD1 4.09Å; W265-F281 AromaticContact CE3-CG 3.91Å; W265-F281 HydrophobicContact CE3-CG 3.91Å; W265-F281 HydrophobicContact CG-CB 4.28Å; W265-F281 AromaticContact CG-CD1 3.3Å; W265-F281 HydrophobicContact CG-CD1 3.3Å; W265-F281 AromaticContact CG-CE1 3.72Å; W265-F281 HydrophobicContact CG-CE1 3.72Å; W265-F281 AromaticContact CG-CG 3.91Å; W265-F281 HydrophobicContact CG-CG 3.91Å; W265-F281 HydrophobicContact CH2-CB 3.97Å; W265-F281 WeakPolarHBondContact CH2-O 3.19Å; W265-F281 HydrophobicContact CZ2-CB 4.24Å; W265-F281 HydrophobicContact CZ3-CB 3.5Å; W265-F281 AromaticContact NE1-CD1 3.78Å; W265-Q285 HydrophobicContact CH2-CB 4.26Å; W265-Q285 HydrophobicContact CZ2-CB 4.41Å; W265-D309 HydrophobicContact CE3-CB 3.98Å; W265-D309 HydrophobicContact CH2-CB 4.48Å; W265-D309 WeakPolarHBondContact CH2-O 3.28Å; W265-D309 VanDerWaalsContact CZ2-O 3.22Å; W265-D309 WeakPolarHBondContact CZ2-O 3.48Å; W265-D309 HydrophobicContact CZ3-CB 3.93Å; W265-E310 VanDerWaalsContact CD1-CG 3.49Å; W265-E310 HydrophobicContact CD2-CG 3.95Å; W265-E310 HydrophobicContact CG-CG 3.8Å; W265-E310 HydrophobicContact CZ2-CB 4.44Å
266	I	85.6	Confident	89.5	Confident	9 Å²	9	54.4 Å²	54.4	5%	0.046	28%	0.28	C	S	.	.	S	Bend	trans	-115.8	98.8	-179.7	-55.5	151.3	0	0	0	107.4	T264 Q270 K274 R277 L278 K307	T264-I266 PolarHBondContact O-N 3.49Å; T264-I266 PolarHBondContact OG1-N 3.08Å; T264-I266 PolarHBondContact OG1-O 3.15Å; I266-Q270 HydrophobicContact CG2-CB 4.48Å; I266-K274 HydrophobicContact CD1-CB 4.03Å; I266-K274 HydrophobicContact CD1-CD 4.01Å; I266-K274 HydrophobicContact CD1-CG 3.58Å; I266-K274 HydrophobicContact CG1-CB 4.47Å; I266-K274 HydrophobicContact CG2-CB 4.46Å; I266-R277 HydrophobicContact CG1-CB 4.26Å; I266-L278 HydrophobicContact CD1-CD2 4.4Å; I266-L278 HydrophobicContact CD1-CG 4.33Å; I266-K307 PolarHBondContact O-NZ 2.91Å
267	S	78.5	Confident	89.2	Confident	26 Å²	26	53.4 Å²	53.4	18%	0.182	27%	0.265	C	S	.	.			trans	-74.8	162.7	178.7	-69.5	0	0	0	0	111.7	G269 Q270	S267-G269 PolarHBondContact O-N 3.42Å; S267-Q270 VanDerWaalsContact CB-OE1 3.29Å; S267-Q270 VanDerWaalsContact N-OE1 3.08Å; S267-Q270 PolarHBondContact O-N 2.92Å
268	M	71.3	Confident	88.9	Confident	78 Å²	78	55.9 Å²	55.9	38%	0.384	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	121.3	173.3	-71.8	176.6	54.3	0	0	110.8	K88 R89	K88-M268 HydrophobicContact CB-CE 3.72Å; K88-M268 WeakPolarHBondContact CE-O 3.33Å; K88-M268 HydrophobicContact CG-CE 4.29Å; K88-M268 PolarHBondContact NZ-O 2.98Å; R89-M268 HydrophobicContact CB-CE 4.26Å
269	G	74.7	Confident	88.7	Confident	56 Å²	56	62.3 Å²	62.3	58%	0.577	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	0.9	-175	0	0	0	0	0	114.4	S267 E271	S267-G269 PolarHBondContact O-N 3.42Å; G269-E271 WeakPolarHBondContact CA-OE2 3.34Å; G269-E271 PolarHBondContact N-OE1 3.17Å; G269-E271 VanDerWaalsContact N-OE1 3.17Å; G269-E271 PolarHBondContact N-OE2 3.18Å
270	Q	78.8	Confident	88.5	Confident	46 Å²	46	64.1 Å²	64.1	22%	0.215	32%	0.32	C	S	.	.			trans	-113.8	22.6	177	-65.7	175.5	-31.8	0	0	112.3	I266 S267 E272 E273	I266-Q270 HydrophobicContact CG2-CB 4.48Å; S267-Q270 VanDerWaalsContact CB-OE1 3.29Å; S267-Q270 VanDerWaalsContact N-OE1 3.08Å; S267-Q270 PolarHBondContact O-N 2.92Å; Q270-E272 PolarHBondContact O-N 3.44Å; Q270-E273 PolarHBondContact O-N 2.93Å; Q270-E273 VanDerWaalsContact O-N 3.08Å
271	E	80.3	Confident	88.4	Confident	118 Å²	118	64.1 Å²	64.1	55%	0.551	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-62.7	-29.5	-174.1	-68.5	76.2	-169.9	0	0	112.7	G269 E273 K274	G269-E271 WeakPolarHBondContact CA-OE2 3.34Å; G269-E271 PolarHBondContact N-OE1 3.17Å; G269-E271 VanDerWaalsContact N-OE1 3.17Å; G269-E271 PolarHBondContact N-OE2 3.18Å; E271-E273 VanDerWaalsContact C-N 3.34Å; E271-K274 VanDerWaalsContact O-CB 3.23Å; E271-K274 WeakPolarHBondContact O-CB 3.12Å; E271-K274 PolarHBondContact O-N 3.44Å
272	E	83.9	Confident	88.3	Confident	200 Å²	200	70.8 Å²	70.8	94%	0.935	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-69.6	-30	176.4	-60.9	-173.4	170.8	0	0	112.5	Q270 K274	Q270-E272 PolarHBondContact O-N 3.44Å; E272-K274 VanDerWaalsContact C-N 3.27Å; E272-K274 PolarHBondContact O-N 2.77Å
273	E	86.1	Confident	88.2	Confident	80 Å²	80	74 Å²	74	37%	0.374	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-81.5	-5	178.9	-62.9	174.6	-154.9	0	0	113	Q270 E271 K275 E276 R277	Q270-E273 PolarHBondContact O-N 2.93Å; Q270-E273 VanDerWaalsContact O-N 3.08Å; E271-E273 VanDerWaalsContact C-N 3.34Å; E273-K275 VanDerWaalsContact C-N 3.29Å; E273-K275 PolarHBondContact O-N 3.07Å; E273-K275 VanDerWaalsContact O-N 3.12Å; E273-E276 PolarHBondContact O-N 3.04Å; E273-R277 HydrophobicContact CB-CG 4.26Å; E273-R277 PolarHBondContact O-N 3.11Å; E273-R277 IonicContact OE2-CZ 3.16Å; E273-R277 IonicContact OE2-NE 2.85Å; E273-R277 PolarHBondContact OE2-NE 3.06Å; E273-R277 IonicContact OE2-NH2 2.67Å; E273-R277 PolarHBondContact OE2-NH2 2.97Å
274	K	87.4	Confident	88.2	Confident	108 Å²	108	74.3 Å²	74.3	47%	0.47	39%	0.385	S	S	.	.	H	α-helix	trans	-48.7	-47.3	-171.1	169.6	163.5	-171	-175.4	0	113.3	I266 E271 E272 L278	I266-K274 HydrophobicContact CD1-CB 4.03Å; I266-K274 HydrophobicContact CD1-CD 4.01Å; I266-K274 HydrophobicContact CD1-CG 3.58Å; I266-K274 HydrophobicContact CG1-CB 4.47Å; I266-K274 HydrophobicContact CG2-CB 4.46Å; E271-K274 VanDerWaalsContact O-CB 3.23Å; E271-K274 WeakPolarHBondContact O-CB 3.12Å; E271-K274 PolarHBondContact O-N 3.44Å; E272-K274 VanDerWaalsContact C-N 3.27Å; E272-K274 PolarHBondContact O-N 2.77Å; K274-L278 HydrophobicContact CG-CD1 3.95Å; K274-L278 HydrophobicContact CG-CG 4.46Å; K274-L278 WeakPolarHBondContact O-CB 3.48Å; K274-L278 VanDerWaalsContact O-CG 3.29Å; K274-L278 WeakPolarHBondContact O-CG 3.12Å; K274-L278 PolarHBondContact O-N 3.42Å
275	K	88.3	Confident	88.5	Confident	183 Å²	183	77.1 Å²	77.1	80%	0.796	40%	0.397	S	S	*	.	H	α-helix	trans	-67.2	-39	-175.5	-172.9	179.4	178.1	-177.4	0	112.2	E273 K279	E273-K275 VanDerWaalsContact C-N 3.29Å; E273-K275 PolarHBondContact O-N 3.07Å; E273-K275 VanDerWaalsContact O-N 3.12Å; K275-K279 PolarHBondContact O-N 3.06Å
276	E	91.3	Very high	88.9	Confident	138 Å²	138	76.6 Å²	76.6	65%	0.645	40%	0.395	S	S	*	.	H	α-helix	trans	-69.9	-45	178.6	-176.9	172.9	-179.5	0	0	110.9	E273 K279 A280	E273-E276 PolarHBondContact O-N 3.04Å; E276-K279 WeakPolarHBondContact O-CB 3.45Å; E276-K279 PolarHBondContact O-N 3.12Å; E276-K279 VanDerWaalsContact O-N 3.12Å; E276-A280 PolarHBondContact O-N 2.83Å
277	R	93.1	Very high	89.5	Confident	13 Å²	13	77.5 Å²	77.5	5%	0.049	40%	0.401	C	S	.	.	H	α-helix	trans	-59.7	-48.2	176.1	-73.3	174.8	169.7	-86.2	-10.9	112.1	D196 F223 W265 I266 E273 K279 A280 F281	D196-R277 VanDerWaalsContact CG-NH1 3.33Å; D196-R277 IonicContact OD1-NH1 3.21Å; D196-R277 IonicContact OD2-CZ 3.98Å; D196-R277 IonicContact OD2-NH1 3.21Å; D196-R277 PolarHBondContact OD2-NH1 2.82Å; D196-R277 IonicContact OD2-NH2 3.31Å; F223-R277 HydrophobicContact CE1-CG 3.82Å; F223-R277 HydrophobicContact CZ-CG 4.06Å; W265-R277 WeakPolarHBondContact O-CD 3.46Å; W265-R277 PolarHBondContact O-NH1 3.06Å; I266-R277 HydrophobicContact CG1-CB 4.26Å; E273-R277 HydrophobicContact CB-CG 4.26Å; E273-R277 PolarHBondContact O-N 3.11Å; E273-R277 IonicContact OE2-CZ 3.16Å; E273-R277 IonicContact OE2-NE 2.85Å; E273-R277 PolarHBondContact OE2-NE 3.06Å; E273-R277 IonicContact OE2-NH2 2.67Å; E273-R277 PolarHBondContact OE2-NH2 2.97Å; R277-K279 PolarHBondContact O-N 2.83Å; R277-K279 VanDerWaalsContact O-N 3.11Å; R277-A280 PolarHBondContact O-N 2.89Å; R277-A280 VanDerWaalsContact O-N 3.09Å; R277-F281 HydrophobicContact CB-CD2 4.33Å; R277-F281 HydrophobicContact CB-CE2 4.41Å; R277-F281 HydrophobicContact CG-CE2 4.41Å; R277-F281 WeakPolarHBondContact O-CB 3.34Å; R277-F281 WeakPolarHBondContact O-CD2 3.44Å; R277-F281 PolarHBondContact O-N 3.22Å
278	L	92.1	Very high	90.4	Very high	52 Å²	52	78.2 Å²	78.2	27%	0.272	40%	0.402	S	S	.	.	H	α-helix	trans	-58.9	-29.1	177.2	-72.7	174	0	0	0	113.2	W265 I266 K274 Q282 D309	W265-L278 HydrophobicContact CE3-CD2 4.34Å; W265-L278 HydrophobicContact CZ3-CD2 4.49Å; I266-L278 HydrophobicContact CD1-CD2 4.4Å; I266-L278 HydrophobicContact CD1-CG 4.33Å; K274-L278 HydrophobicContact CG-CD1 3.95Å; K274-L278 HydrophobicContact CG-CG 4.46Å; K274-L278 WeakPolarHBondContact O-CB 3.48Å; K274-L278 VanDerWaalsContact O-CG 3.29Å; K274-L278 WeakPolarHBondContact O-CG 3.12Å; K274-L278 PolarHBondContact O-N 3.42Å; L278-Q282 VanDerWaalsContact O-CG 3.31Å; L278-Q282 WeakPolarHBondContact O-CG 3.41Å; L278-D309 HydrophobicContact CD2-CB 4.21Å
279	K	94.3	Very high	91.7	Very high	158 Å²	158	81 Å²	81	69%	0.687	41%	0.414	S	S	*	.	H	α-helix	trans	-77.2	-44.5	174.5	-174	-177.3	175.8	-172.7	0	111.8	K275 E276 R277 F281 Q282	K275-K279 PolarHBondContact O-N 3.06Å; E276-K279 WeakPolarHBondContact O-CB 3.45Å; E276-K279 PolarHBondContact O-N 3.12Å; E276-K279 VanDerWaalsContact O-N 3.12Å; R277-K279 PolarHBondContact O-N 2.83Å; R277-K279 VanDerWaalsContact O-N 3.11Å; K279-F281 VanDerWaalsContact C-N 3.32Å; K279-F281 PolarHBondContact O-N 3.28Å; K279-Q282 WeakPolarHBondContact O-CG 3.46Å
280	A	95.4	Very high	92.8	Very high	39 Å²	39	78.7 Å²	78.7	32%	0.322	39%	0.389	S	S	.	.	H	α-helix	trans	-68.1	-31.9	-178.7	0	0	0	0	0	112.9	P220 F223 E276 R277 Q282	P220-A280 HydrophobicContact CB-CB 4.48Å; F223-A280 HydrophobicContact CD2-CB 4.33Å; F223-A280 HydrophobicContact CE2-CB 3.6Å; F223-A280 HydrophobicContact CZ-CB 4.23Å; E276-A280 PolarHBondContact O-N 2.83Å; R277-A280 PolarHBondContact O-N 2.89Å; R277-A280 VanDerWaalsContact O-N 3.09Å; A280-Q282 VanDerWaalsContact C-N 3.34Å
281	F	96.9	Very high	93.7	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	10.2	-177	-73	-113.6	0	0	0	113.2	D196 P220 F223 W265 R277 K279 G283 Y284	D196-F281 HydrophobicContact CB-CE1 3.99Å; D196-F281 HydrophobicContact CB-CZ 3.83Å; P220-F281 HydrophobicContact CG-CD1 3.81Å; P220-F281 HydrophobicContact CG-CD2 3.77Å; P220-F281 HydrophobicContact CG-CE1 3.9Å; P220-F281 HydrophobicContact CG-CE2 3.85Å; P220-F281 HydrophobicContact CG-CG 3.77Å; P220-F281 HydrophobicContact CG-CZ 3.91Å; F223-F281 HydrophobicContact CB-CE2 4.43Å; F223-F281 HydrophobicContact CB-CZ 4.24Å; F223-F281 AromaticContact CD1-CE2 3.66Å; F223-F281 HydrophobicContact CD1-CE2 3.66Å; F223-F281 AromaticContact CD1-CZ 3.91Å; F223-F281 HydrophobicContact CD1-CZ 3.91Å; F223-F281 HydrophobicContact CD2-CE2 4Å; F223-F281 AromaticContact CE1-CE2 3.83Å; F223-F281 HydrophobicContact CE1-CE2 3.83Å; F223-F281 HydrophobicContact CE1-CZ 4.47Å; F223-F281 HydrophobicContact CE2-CE2 4.15Å; F223-F281 AromaticContact CG-CE2 3.75Å; F223-F281 HydrophobicContact CG-CE2 3.75Å; F223-F281 HydrophobicContact CG-CZ 4Å; F223-F281 HydrophobicContact CZ-CE2 4.06Å; W265-F281 HydrophobicContact CB-CD1 3.8Å; W265-F281 HydrophobicContact CB-CE1 3.9Å; W265-F281 HydrophobicContact CB-CG 4.17Å; W265-F281 HydrophobicContact CB-CZ 4.36Å; W265-F281 AromaticContact CD1-CD1 3.52Å; W265-F281 AromaticContact CD1-CE1 3.74Å; W265-F281 HydrophobicContact CD2-CB 3.6Å; W265-F281 AromaticContact CD2-CD1 3.45Å; W265-F281 HydrophobicContact CD2-CD1 3.45Å; W265-F281 VanDerWaalsContact CD2-CD1 3.45Å; W265-F281 HydrophobicContact CD2-CE1 4.34Å; W265-F281 AromaticContact CD2-CG 3.77Å; W265-F281 HydrophobicContact CD2-CG 3.77Å; W265-F281 AromaticContact CE2-CD1 3.74Å; W265-F281 HydrophobicContact CE3-CB 3.3Å; W265-F281 HydrophobicContact CE3-CD1 4.09Å; W265-F281 AromaticContact CE3-CG 3.91Å; W265-F281 HydrophobicContact CE3-CG 3.91Å; W265-F281 HydrophobicContact CG-CB 4.28Å; W265-F281 AromaticContact CG-CD1 3.3Å; W265-F281 HydrophobicContact CG-CD1 3.3Å; W265-F281 AromaticContact CG-CE1 3.72Å; W265-F281 HydrophobicContact CG-CE1 3.72Å; W265-F281 AromaticContact CG-CG 3.91Å; W265-F281 HydrophobicContact CG-CG 3.91Å; W265-F281 HydrophobicContact CH2-CB 3.97Å; W265-F281 WeakPolarHBondContact CH2-O 3.19Å; W265-F281 HydrophobicContact CZ2-CB 4.24Å; W265-F281 HydrophobicContact CZ3-CB 3.5Å; W265-F281 AromaticContact NE1-CD1 3.78Å; R277-F281 HydrophobicContact CB-CD2 4.33Å; R277-F281 HydrophobicContact CB-CE2 4.41Å; R277-F281 HydrophobicContact CG-CE2 4.41Å; R277-F281 WeakPolarHBondContact O-CB 3.34Å; R277-F281 WeakPolarHBondContact O-CD2 3.44Å; R277-F281 PolarHBondContact O-N 3.22Å; K279-F281 VanDerWaalsContact C-N 3.32Å; K279-F281 PolarHBondContact O-N 3.28Å; F281-G283 PolarHBondContact O-N 2.84Å; F281-Y284 WeakPolarHBondContact O-CB 3.49Å; F281-Y284 PolarHBondContact O-N 3.24Å
282	Q	95.9	Very high	94.5	Very high	146 Å²	146	79.6 Å²	79.6	68%	0.682	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	126.4	173	-70.4	-177.7	-15.8	0	0	110.4	L278 K279 A280	L278-Q282 VanDerWaalsContact O-CG 3.31Å; L278-Q282 WeakPolarHBondContact O-CG 3.41Å; K279-Q282 WeakPolarHBondContact O-CG 3.46Å; A280-Q282 VanDerWaalsContact C-N 3.34Å
283	G	96.9	Very high	95.2	Very high	68 Å²	68	72 Å²	72	70%	0.701	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-2.5	-175.9	0	0	0	0	0	115.3	F281	F281-G283 PolarHBondContact O-N 2.84Å
284	Y	98.5	Very high	95.8	Very high	15 Å²	15	68.8 Å²	68.8	6%	0.059	35%	0.348	C	S	.	.			trans	-90.8	-6.1	178	-77.9	-109.9	0	0	0	114.1	I194 A218 T219 P220 T248 P250 F281 I286	I194-Y284 HydrophobicContact CG2-CD1 3.86Å; I194-Y284 HydrophobicContact CG2-CG 4.48Å; I194-Y284 WeakPolarHBondContact CG2-O 3.43Å; A218-Y284 HydrophobicContact CB-CE1 4.12Å; T219-Y284 VanDerWaalsContact C-OH 3.24Å; T219-Y284 PolarHBondContact O-OH 2.85Å; P220-Y284 WeakPolarHBondContact CA-OH 3.5Å; P220-Y284 HydrophobicContact CB-CE2 4.3Å; P220-Y284 VanDerWaalsContact CD-CE1 3.41Å; P220-Y284 HydrophobicContact CG-CD1 4.06Å; P220-Y284 HydrophobicContact CG-CD2 4.08Å; P220-Y284 HydrophobicContact CG-CE1 3.77Å; P220-Y284 HydrophobicContact CG-CE2 3.82Å; P220-Y284 HydrophobicContact CG-CG 4.22Å; T248-Y284 VanDerWaalsContact C-OH 3.25Å; T248-Y284 WeakPolarHBondContact CA-OH 3.46Å; T248-Y284 PolarHBondContact O-OH 2.95Å; P250-Y284 HydrophobicContact CG-CD1 3.83Å; P250-Y284 HydrophobicContact CG-CD2 4Å; P250-Y284 HydrophobicContact CG-CE1 3.91Å; P250-Y284 HydrophobicContact CG-CE2 4.06Å; P250-Y284 HydrophobicContact CG-CG 3.86Å; F281-Y284 WeakPolarHBondContact O-CB 3.49Å; F281-Y284 PolarHBondContact O-N 3.24Å; Y284-I286 PolarHBondContact O-N 3.41Å
285	Q	98.6	Very high	96.3	Very high	75 Å²	75	64.6 Å²	64.6	35%	0.35	33%	0.333	S	S	.	.			trans	-61.4	126.7	176.5	-174.6	-178.2	52.1	0	0	109.6	W265 T287 P308 D309 E310	W265-Q285 HydrophobicContact CH2-CB 4.26Å; W265-Q285 HydrophobicContact CZ2-CB 4.41Å; Q285-T287 HydrophobicContact CG-CG2 4.15Å; Q285-T287 PolarHBondContact O-N 3.33Å; Q285-P308 PolarHBondContact NE2-O 2.95Å; Q285-D309 WeakPolarHBondContact CB-O 3.48Å; Q285-D309 VanDerWaalsContact CG-O 3.29Å; Q285-D309 WeakPolarHBondContact CG-O 3.33Å; Q285-E310 WeakPolarHBondContact CA-O 3.48Å
286	I	98.7	Very high	96.8	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-75.1	122.6	173.6	-63.9	-175.3	0	0	0	108.6	I194 L260 T262 Y284 T290 F300 E310 V311 D312 V315	I194-I286 HydrophobicContact CB-CD1 4.16Å; I194-I286 HydrophobicContact CB-CG1 4.3Å; I194-I286 HydrophobicContact CD1-CD1 4.11Å; I194-I286 HydrophobicContact CD1-CG1 4.13Å; I194-I286 HydrophobicContact CG2-CG1 4.45Å; L260-I286 HydrophobicContact CB-CD1 4.33Å; L260-I286 HydrophobicContact CD1-CG2 4.33Å; T262-I286 HydrophobicContact CG2-CD1 3.95Å; T262-I286 HydrophobicContact CG2-CG1 4.43Å; Y284-I286 PolarHBondContact O-N 3.41Å; I286-T290 HydrophobicContact CG2-CG2 4.46Å; I286-F300 HydrophobicContact CB-CE2 4.48Å; I286-F300 HydrophobicContact CD1-CD2 4.39Å; I286-F300 HydrophobicContact CD1-CE2 3.93Å; I286-F300 HydrophobicContact CG2-CD2 4.32Å; I286-F300 HydrophobicContact CG2-CE2 4.27Å; I286-E310 PolarHBondContact N-O 2.8Å; I286-V311 HydrophobicContact CB-CB 4.33Å; I286-V311 HydrophobicContact CB-CG2 4.13Å; I286-V311 HydrophobicContact CG2-CG2 4.32Å; I286-V311 VanDerWaalsContact O-CA 3.31Å; I286-V311 WeakPolarHBondContact O-CA 3.16Å; I286-V311 WeakPolarHBondContact O-CG2 3.37Å; I286-D312 PolarHBondContact O-N 2.98Å; I286-D312 VanDerWaalsContact O-N 3.07Å; I286-V315 HydrophobicContact CG2-CG1 4.01Å; I286-V315 HydrophobicContact CG2-CG2 4.42Å
287	T	98.7	Very high	97.1	Very high	29 Å²	29	59 Å²	59	18%	0.178	33%	0.327	C	S	.	.			trans	-131.2	176.9	177.2	65.3	0	0	0	0	109.7	Q285 Q289 T290 A291 D312	Q285-T287 HydrophobicContact CG-CG2 4.15Å; Q285-T287 PolarHBondContact O-N 3.33Å; T287-Q289 PolarHBondContact O-N 3.34Å; T287-Q289 VanDerWaalsContact O-N 3.14Å; T287-Q289 WeakPolarHBondContact OG1-CB 3.38Å; T287-Q289 PolarHBondContact OG1-N 2.87Å; T287-T290 PolarHBondContact N-OG1 3.12Å; T287-T290 WeakPolarHBondContact O-CA 3.32Å; T287-T290 VanDerWaalsContact O-CB 3.31Å; T287-T290 WeakPolarHBondContact O-CB 3.33Å; T287-T290 PolarHBondContact O-N 2.81Å; T287-A291 PolarHBondContact O-N 3.25Å; T287-D312 WeakPolarHBondContact CA-OD2 3.4Å; T287-D312 VanDerWaalsContact CB-OD2 3.23Å; T287-D312 WeakPolarHBondContact CB-OD2 3.49Å; T287-D312 HydrophobicContact CG2-CB 4.4Å; T287-D312 WeakPolarHBondContact CG2-OD2 3.19Å
288	M	98.3	Very high	97.4	Very high	40 Å²	40	59.8 Å²	59.8	20%	0.197	33%	0.329	C	S	.	.	H	α-helix	trans	-60.7	-20.9	171.7	-75.1	-60	176	0	0	113.3	A291 K292 W298 E314 V315	M288-A291 PolarHBondContact O-N 2.98Å; M288-A291 HydrophobicContact SD-CB 4.13Å; M288-K292 VanDerWaalsContact O-CG 3.27Å; M288-K292 WeakPolarHBondContact O-CG 3.12Å; M288-K292 PolarHBondContact O-N 3.49Å; M288-W298 HydrophobicContact CE-CH2 4.2Å; M288-W298 HydrophobicContact CE-CZ2 4.27Å; M288-W298 HydrophobicContact SD-CH2 4.2Å; M288-W298 HydrophobicContact SD-CZ2 3.95Å; M288-E314 HydrophobicContact CE-CG 3.85Å; M288-E314 WeakPolarHBondContact CE-O 3.26Å; M288-E314 HydrophobicContact CG-CB 4.3Å; M288-E314 HydrophobicContact CG-CG 3.73Å; M288-V315 HydrophobicContact CE-CG2 4.12Å; M288-V315 HydrophobicContact CG-CG2 4.15Å; M288-V315 HydrophobicContact SD-CG2 4.03Å
289	Q	97.6	Very high	97.7	Very high	136 Å²	136	57.4 Å²	57.4	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-66.1	-42.7	171	-176.6	177.1	-7	0	0	111.4	T287 K292	T287-Q289 PolarHBondContact O-N 3.34Å; T287-Q289 VanDerWaalsContact O-N 3.14Å; T287-Q289 WeakPolarHBondContact OG1-CB 3.38Å; T287-Q289 PolarHBondContact OG1-N 2.87Å; Q289-K292 PolarHBondContact O-N 2.87Å
290	T	98.3	Very high	97.9	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.055	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-45.6	173.9	-44.7	0	0	0	0	110.5	I194 A254 L260 I286 T287 K292 S293	I194-T290 HydrophobicContact CD1-CG2 3.6Å; A254-T290 HydrophobicContact CB-CG2 3.71Å; L260-T290 HydrophobicContact CD1-CG2 4.48Å; I286-T290 HydrophobicContact CG2-CG2 4.46Å; T287-T290 PolarHBondContact N-OG1 3.12Å; T287-T290 WeakPolarHBondContact O-CA 3.32Å; T287-T290 VanDerWaalsContact O-CB 3.31Å; T287-T290 WeakPolarHBondContact O-CB 3.33Å; T287-T290 PolarHBondContact O-N 2.81Å; T290-K292 VanDerWaalsContact C-N 3.32Å; T290-K292 PolarHBondContact O-N 3.31Å; T290-S293 PolarHBondContact O-N 3.21Å; T290-S293 VanDerWaalsContact O-N 3.16Å
291	A	97.5	Very high	98.1	Very high	4 Å²	4	48 Å²	48	3%	0.033	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-32.5	179.9	0	0	0	0	0	113.8	L260 T287 M288 S293 A294 W298	L260-A291 HydrophobicContact CD1-CB 4.23Å; T287-A291 PolarHBondContact O-N 3.25Å; M288-A291 PolarHBondContact O-N 2.98Å; M288-A291 HydrophobicContact SD-CB 4.13Å; A291-S293 PolarHBondContact O-N 2.74Å; A291-A294 VanDerWaalsContact O-CB 3.28Å; A291-A294 WeakPolarHBondContact O-CB 3.22Å; A291-A294 PolarHBondContact O-N 2.79Å; A291-W298 HydrophobicContact CB-CD2 4.05Å; A291-W298 HydrophobicContact CB-CE3 4.31Å; A291-W298 HydrophobicContact CB-CH2 3.87Å; A291-W298 HydrophobicContact CB-CZ2 3.56Å; A291-W298 HydrophobicContact CB-CZ3 4.23Å
292	K	97.8	Very high	98.2	Very high	178 Å²	178	48 Å²	48	77%	0.774	27%	0.269	S	S	*	.	H	α-helix	trans	-62.2	-26.8	175.2	-80	170.9	-172.9	176.9	0	113.6	M288 Q289 T290	M288-K292 VanDerWaalsContact O-CG 3.27Å; M288-K292 WeakPolarHBondContact O-CG 3.12Å; M288-K292 PolarHBondContact O-N 3.49Å; Q289-K292 PolarHBondContact O-N 2.87Å; T290-K292 VanDerWaalsContact C-N 3.32Å; T290-K292 PolarHBondContact O-N 3.31Å
293	S	97.3	Very high	98.2	Very high	40 Å²	40	41.9 Å²	41.9	28%	0.28	24%	0.242	S	C	.	.	H	α-helix	trans	-80.8	-19.2	174.4	-60.3	0	0	0	0	112.3	N255 G256 T290 A291	N255-S293 CarbonylContact C-O 3.48Å; N255-S293 VanDerWaalsContact CA-O 3.24Å; N255-S293 WeakPolarHBondContact CA-O 3.35Å; G256-S293 PolarHBondContact N-O 2.99Å; T290-S293 PolarHBondContact O-N 3.21Å; T290-S293 VanDerWaalsContact O-N 3.16Å; A291-S293 PolarHBondContact O-N 2.74Å
294	A	98.6	Very high	98.3	Very high	14 Å²	14	40 Å²	40	12%	0.116	22%	0.215	C	C	.	.	S	Bend	trans	-72.5	173.8	-178.9	0	0	0	0	0	112.7	A254 L260 A291 W298	A254-A294 VanDerWaalsContact O-CA 3.31Å; A254-A294 WeakPolarHBondContact O-CA 3.27Å; L260-A294 HydrophobicContact CD1-CB 4.23Å; L260-A294 HydrophobicContact CD2-CB 4.18Å; L260-A294 HydrophobicContact CG-CB 4.34Å; A291-A294 VanDerWaalsContact O-CB 3.28Å; A291-A294 WeakPolarHBondContact O-CB 3.22Å; A291-A294 PolarHBondContact O-N 2.79Å; A294-W298 HydrophobicContact CB-CB 3.73Å; A294-W298 HydrophobicContact CB-CG 4.09Å
295	A	98.5	Very high	98.1	Very high	19 Å²	19	42.8 Å²	42.8	16%	0.157	24%	0.236	C	C	.	.			trans	-62	154.9	174.2	0	0	0	0	0	110.9	A257 N297 W298	A257-A295 VanDerWaalsContact O-CB 3.29Å; A257-A295 WeakPolarHBondContact O-CB 3.36Å; A257-A295 PolarHBondContact O-N 3.21Å; A295-N297 WeakPolarHBondContact CB-OD1 3.49Å; A295-N297 PolarHBondContact O-N 3.23Å; A295-N297 VanDerWaalsContact O-N 3.11Å; A295-W298 VanDerWaalsContact O-CB 3.3Å; A295-W298 WeakPolarHBondContact O-CB 3.45Å; A295-W298 VanDerWaalsContact O-CD1 3.23Å; A295-W298 PolarHBondContact O-N 2.82Å
296	S	98.1	Very high	98	Very high	130 Å²	130	41.5 Å²	41.5	91%	0.909	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.2	-179.1	55.6	0	0	0	0	114.1
297	N	98.2	Very high	97.7	Very high	75 Å²	75	44.8 Å²	44.8	40%	0.401	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	27.9	176.6	70.5	-25.4	0	0	0	112.8	Y183 N258 A295	Y183-N297 PolarHBondContact OH-O 2.85Å; N258-N297 PolarHBondContact ND2-OD1 2.82Å; A295-N297 WeakPolarHBondContact CB-OD1 3.49Å; A295-N297 PolarHBondContact O-N 3.23Å; A295-N297 VanDerWaalsContact O-N 3.11Å
298	W	98.8	Very high	97.5	Very high	29 Å²	29	47.6 Å²	47.6	11%	0.11	26%	0.261	C	S	.	.			trans	-62.6	149.4	-175.4	70.4	-86	0	0	0	113.3	N258 L260 M288 A291 A294 A295 F300 V315 Q320	N258-W298 CarbonylContact O-C 3.59Å; N258-W298 WeakPolarHBondContact O-CA 3.27Å; L260-W298 HydrophobicContact CD1-CE3 4.17Å; M288-W298 HydrophobicContact CE-CH2 4.2Å; M288-W298 HydrophobicContact CE-CZ2 4.27Å; M288-W298 HydrophobicContact SD-CH2 4.2Å; M288-W298 HydrophobicContact SD-CZ2 3.95Å; A291-W298 HydrophobicContact CB-CD2 4.05Å; A291-W298 HydrophobicContact CB-CE3 4.31Å; A291-W298 HydrophobicContact CB-CH2 3.87Å; A291-W298 HydrophobicContact CB-CZ2 3.56Å; A291-W298 HydrophobicContact CB-CZ3 4.23Å; A294-W298 HydrophobicContact CB-CB 3.73Å; A294-W298 HydrophobicContact CB-CG 4.09Å; A295-W298 VanDerWaalsContact O-CB 3.3Å; A295-W298 WeakPolarHBondContact O-CB 3.45Å; A295-W298 VanDerWaalsContact O-CD1 3.23Å; A295-W298 PolarHBondContact O-N 2.82Å; W298-F300 HydrophobicContact CE3-CB 4.46Å; W298-F300 HydrophobicContact CZ3-CB 3.9Å; W298-V315 HydrophobicContact CH2-CG1 4.3Å; W298-V315 HydrophobicContact CZ3-CG1 4.19Å; W298-Q320 HydrophobicContact CD2-CB 4.21Å; W298-Q320 HydrophobicContact CD2-CG 4.22Å; W298-Q320 HydrophobicContact CE3-CB 3.94Å; W298-Q320 HydrophobicContact CE3-CG 4.46Å; W298-Q320 HydrophobicContact CH2-CB 3.56Å; W298-Q320 HydrophobicContact CH2-CG 4.02Å; W298-Q320 HydrophobicContact CZ2-CB 3.83Å; W298-Q320 HydrophobicContact CZ2-CG 3.74Å; W298-Q320 HydrophobicContact CZ3-CB 3.61Å; W298-Q320 HydrophobicContact CZ3-CG 4.37Å; W298-Q320 WeakPolarHBondContact O-CG 3.37Å
299	T	98.9	Very high	97.4	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	159.9	170.4	52.8	0	0	0	0	110.8	H182 Y183 N258 V259 L260 Q320 L322	H182-T299 VanDerWaalsContact NE2-CG2 3.33Å; H182-T299 WeakPolarHBondContact NE2-CG2 3.45Å; Y183-T299 HydrophobicContact CE2-CG2 4.21Å; Y183-T299 VanDerWaalsContact OH-CG2 3.3Å; Y183-T299 WeakPolarHBondContact OH-CG2 3.32Å; Y183-T299 PolarHBondContact OH-N 3.02Å; Y183-T299 PolarHBondContact OH-OG1 3.49Å; N258-T299 PolarHBondContact O-N 3.32Å; N258-T299 PolarHBondContact O-OG1 2.65Å; V259-T299 WeakPolarHBondContact CA-O 3.28Å; L260-T299 PolarHBondContact N-O 2.87Å; T299-Q320 CarbonylContact C-O 3.45Å; T299-Q320 VanDerWaalsContact CA-O 3.27Å; T299-Q320 WeakPolarHBondContact CA-O 3.46Å; T299-L322 HydrophobicContact CG2-CD1 3.79Å; T299-L322 HydrophobicContact CG2-CG 4.15Å
300	F	98.9	Very high	97.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.6	178.6	173.7	-101.2	0	0	0	112.6	L260 T262 I286 W298 H302 V311 V315 F316 Q320 L322 V323	L260-F300 HydrophobicContact CB-CD2 4.21Å; L260-F300 WeakPolarHBondContact O-CA 3.49Å; L260-F300 WeakPolarHBondContact O-CD2 3.43Å; T262-F300 HydrophobicContact CG2-CE2 3.89Å; T262-F300 HydrophobicContact CG2-CZ 3.95Å; I286-F300 HydrophobicContact CB-CE2 4.48Å; I286-F300 HydrophobicContact CD1-CD2 4.39Å; I286-F300 HydrophobicContact CD1-CE2 3.93Å; I286-F300 HydrophobicContact CG2-CD2 4.32Å; I286-F300 HydrophobicContact CG2-CE2 4.27Å; W298-F300 HydrophobicContact CE3-CB 4.46Å; W298-F300 HydrophobicContact CZ3-CB 3.9Å; F300-H302 HydrophobicContact CE1-CB 3.85Å; F300-H302 HydrophobicContact CZ-CB 3.79Å; F300-V311 HydrophobicContact CE1-CG1 4.28Å; F300-V311 HydrophobicContact CE1-CG2 4.04Å; F300-V311 HydrophobicContact CE2-CB 4.31Å; F300-V311 HydrophobicContact CE2-CG2 3.94Å; F300-V311 HydrophobicContact CZ-CB 3.81Å; F300-V311 HydrophobicContact CZ-CG1 3.82Å; F300-V311 HydrophobicContact CZ-CG2 3.58Å; F300-V315 HydrophobicContact CB-CG1 4.05Å; F300-V315 HydrophobicContact CD1-CG1 4.08Å; F300-V315 HydrophobicContact CD2-CG1 3.89Å; F300-V315 HydrophobicContact CE2-CG1 4.38Å; F300-V315 HydrophobicContact CG-CG1 3.73Å; F300-F316 AromaticContact CE1-CD2 3.98Å; F300-F316 HydrophobicContact CE1-CD2 3.98Å; F300-Q320 PolarHBondContact N-O 3.29Å; F300-L322 PolarHBondContact O-N 2.84Å; F300-V323 HydrophobicContact CD1-CG2 3.8Å; F300-V323 HydrophobicContact CE1-CG2 3.73Å
301	L	98.9	Very high	97.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150	175.2	-62.8	-179.1	0	0	0	111.7	D175 T178 L179 V259 L260 I261 T262 L322 E326	D175-L301 HydrophobicContact CB-CD1 4.06Å; T178-L301 HydrophobicContact CG2-CD2 4.29Å; L179-L301 HydrophobicContact CD1-CD1 4.17Å; L179-L301 HydrophobicContact CD2-CD1 3.88Å; L179-L301 HydrophobicContact CD2-CG 4.46Å; L179-L301 HydrophobicContact CG-CD1 3.98Å; V259-L301 HydrophobicContact CG1-CD1 3.92Å; V259-L301 HydrophobicContact CG1-CG 4.03Å; L260-L301 PolarHBondContact O-N 3.38Å; I261-L301 HydrophobicContact CD1-CB 4.43Å; I261-L301 HydrophobicContact CD1-CD1 4.03Å; I261-L301 HydrophobicContact CG1-CB 4.12Å; I261-L301 HydrophobicContact CG1-CD1 4.45Å; I261-L301 HydrophobicContact CG2-CB 4.39Å; T262-L301 PolarHBondContact N-O 3.03Å; L301-L322 HydrophobicContact CD2-CB 3.73Å; L301-E326 WeakPolarHBondContact CB-OE2 3.42Å; L301-E326 HydrophobicContact CD2-CB 4.08Å; L301-E326 HydrophobicContact CD2-CG 4.19Å; L301-E326 WeakPolarHBondContact CD2-OE2 3.11Å
302	H	98.8	Very high	97.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	122.1	177.4	-175.2	-60.8	0	0	0	110.1	F300 L304 R306 V323 E326	F300-H302 HydrophobicContact CE1-CB 3.85Å; F300-H302 HydrophobicContact CZ-CB 3.79Å; H302-L304 PolarHBondContact ND1-N 2.85Å; H302-L304 PolarHBondContact O-N 2.81Å; H302-R306 VanDerWaalsContact CE1-CA 3.43Å; H302-R306 WeakPolarHBondContact CE1-CA 3.44Å; H302-V323 HydrophobicContact CB-CG2 3.87Å; H302-E326 PolarHBondContact N-OE2 3.45Å
303	C	97.3	Very high	97.5	Very high	16 Å²	16	38.7 Å²	38.7	11%	0.108	23%	0.226	C	C	.	.			trans	-65.3	-19	-170	83.5	0	0	0	0	116.2	Q171 D263 E326	Q171-C303 VanDerWaalsContact CD-CB 3.47Å; Q171-C303 HydrophobicContact CG-CB 3.83Å; D263-C303 VanDerWaalsContact CG-SG 3.57Å; D263-C303 PolarHBondContact OD1-SG 2.89Å; C303-E326 VanDerWaalsContact CA-OE1 3.24Å; C303-E326 WeakPolarHBondContact CA-OE1 3.24Å; C303-E326 PolarHBondContact N-OE1 2.92Å
304	L	97.4	Very high	97.6	Very high	29 Å²	29	43 Å²	43	15%	0.152	24%	0.241	C	C	.	.	S	Bend	trans	69.6	148.8	-178.2	-60.9	176	0	0	0	113.3	R92 H302 R306 F316 V323 A327	R92-L304 PolarHBondContact NE-O 2.84Å; R92-L304 VanDerWaalsContact NE-O 3.16Å; R92-L304 PolarHBondContact NH2-O 2.98Å; H302-L304 PolarHBondContact ND1-N 2.85Å; H302-L304 PolarHBondContact O-N 2.81Å; L304-R306 HydrophobicContact CD2-CB 3.87Å; L304-F316 HydrophobicContact CD2-CE2 3.91Å; L304-F316 HydrophobicContact CD2-CZ 3.79Å; L304-V323 HydrophobicContact CD1-CG1 3.88Å; L304-V323 HydrophobicContact CD2-CG1 3.71Å; L304-V323 HydrophobicContact CG-CG1 3.78Å; L304-A327 HydrophobicContact CD1-CB 4.25Å
305	P	95.4	Very high	97.6	Very high	74 Å²	74	42.3 Å²	42.3	48%	0.481	24%	0.236	S	C	.	.			cis	-84.2	132.8	8.8	31.8	-22.4	0	0	0	111.1	R92	R92-P305 VanDerWaalsContact NH2-N 3.12Å
306	R	95.2	Very high	97.6	Very high	47 Å²	47	41.9 Å²	41.9	18%	0.177	23%	0.23	C	C	.	.			trans	-76.1	143.7	177	174.5	-98.8	176.2	163.5	-5.2	110.7	H302 L304 V311 D313 F316	H302-R306 VanDerWaalsContact CE1-CA 3.43Å; H302-R306 WeakPolarHBondContact CE1-CA 3.44Å; L304-R306 HydrophobicContact CD2-CB 3.87Å; R306-V311 HydrophobicContact CG-CG1 3.54Å; R306-V311 PolarHBondContact NE-O 2.93Å; R306-V311 PolarHBondContact NH2-O 3.17Å; R306-D313 IonicContact CZ-OD1 2.65Å; R306-D313 IonicContact NH1-OD1 2.98Å; R306-D313 PolarHBondContact NH1-OD1 2.99Å; R306-D313 IonicContact NH2-OD1 3.34Å; R306-D313 PolarHBondContact NH2-OD1 2.81Å; R306-F316 HydrophobicContact CB-CD2 4.07Å; R306-F316 HydrophobicContact CB-CE2 3.47Å; R306-F316 VanDerWaalsContact CB-CE2 3.47Å; R306-F316 HydrophobicContact CB-CZ 4.03Å; R306-F316 HydrophobicContact CG-CD2 3.6Å; R306-F316 HydrophobicContact CG-CE2 3.57Å; R306-F316 HydrophobicContact CG-CG 4.4Å; R306-F316 HydrophobicContact CG-CZ 4.35Å
307	K	93.6	Very high	97.6	Very high	70 Å²	70	42.7 Å²	42.7	30%	0.304	22%	0.215	S	C	.	.			trans	-115.1	168.6	166.8	-56	171.1	-177	152.2	0	109.1	T264 I266 D309 E310	T264-K307 PolarHBondContact OG1-NZ 2.89Å; I266-K307 PolarHBondContact O-NZ 2.91Å; K307-D309 PolarHBondContact O-N 3.41Å; K307-E310 VanDerWaalsContact C-OE2 3.24Å; K307-E310 VanDerWaalsContact CA-OE2 3.26Å; K307-E310 WeakPolarHBondContact CA-OE2 3.37Å; K307-E310 VanDerWaalsContact CB-OE2 3.28Å; K307-E310 WeakPolarHBondContact CB-OE2 3.33Å; K307-E310 PolarHBondContact N-OE2 3.38Å
308	P	94.9	Very high	97.6	Very high	88 Å²	88	39.7 Å²	39.7	57%	0.571	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.4	178.6	-23	35.3	0	0	0	113.5	Q285	Q285-P308 PolarHBondContact NE2-O 2.95Å
309	D	95.8	Very high	97.6	Very high	52 Å²	52	44.1 Å²	44.1	28%	0.278	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-38.7	-172.7	-58.5	-61.5	0	0	0	112.1	W265 L278 Q285 K307	W265-D309 HydrophobicContact CE3-CB 3.98Å; W265-D309 HydrophobicContact CH2-CB 4.48Å; W265-D309 WeakPolarHBondContact CH2-O 3.28Å; W265-D309 VanDerWaalsContact CZ2-O 3.22Å; W265-D309 WeakPolarHBondContact CZ2-O 3.48Å; W265-D309 HydrophobicContact CZ3-CB 3.93Å; L278-D309 HydrophobicContact CD2-CB 4.21Å; Q285-D309 WeakPolarHBondContact CB-O 3.48Å; Q285-D309 VanDerWaalsContact CG-O 3.29Å; Q285-D309 WeakPolarHBondContact CG-O 3.33Å; K307-D309 PolarHBondContact O-N 3.41Å
310	E	97.3	Very high	97.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-27.5	-165.8	-47.4	92.4	-176.1	0	0	113.9	T262 D263 T264 W265 Q285 I286 K307	T262-E310 HydrophobicContact CG2-CB 3.97Å; D263-E310 WeakPolarHBondContact O-CG 3.16Å; T264-E310 WeakPolarHBondContact CA-OE1 3.25Å; W265-E310 VanDerWaalsContact CD1-CG 3.49Å; W265-E310 HydrophobicContact CD2-CG 3.95Å; W265-E310 HydrophobicContact CG-CG 3.8Å; W265-E310 HydrophobicContact CZ2-CB 4.44Å; Q285-E310 WeakPolarHBondContact CA-O 3.48Å; I286-E310 PolarHBondContact N-O 2.8Å; K307-E310 VanDerWaalsContact C-OE2 3.24Å; K307-E310 VanDerWaalsContact CA-OE2 3.26Å; K307-E310 WeakPolarHBondContact CA-OE2 3.37Å; K307-E310 VanDerWaalsContact CB-OE2 3.28Å; K307-E310 WeakPolarHBondContact CB-OE2 3.33Å; K307-E310 PolarHBondContact N-OE2 3.38Å
311	V	98.6	Very high	97.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-153	144.9	179.5	60.8	0	0	0	0	109.2	T262 I286 F300 R306 V315 F316	T262-V311 HydrophobicContact CG2-CB 4.29Å; I286-V311 HydrophobicContact CB-CB 4.33Å; I286-V311 HydrophobicContact CB-CG2 4.13Å; I286-V311 HydrophobicContact CG2-CG2 4.32Å; I286-V311 VanDerWaalsContact O-CA 3.31Å; I286-V311 WeakPolarHBondContact O-CA 3.16Å; I286-V311 WeakPolarHBondContact O-CG2 3.37Å; F300-V311 HydrophobicContact CE1-CG1 4.28Å; F300-V311 HydrophobicContact CE1-CG2 4.04Å; F300-V311 HydrophobicContact CE2-CB 4.31Å; F300-V311 HydrophobicContact CE2-CG2 3.94Å; F300-V311 HydrophobicContact CZ-CB 3.81Å; F300-V311 HydrophobicContact CZ-CG1 3.82Å; F300-V311 HydrophobicContact CZ-CG2 3.58Å; R306-V311 HydrophobicContact CG-CG1 3.54Å; R306-V311 PolarHBondContact NE-O 2.93Å; R306-V311 PolarHBondContact NH2-O 3.17Å; V311-V315 HydrophobicContact CG2-CB 3.69Å; V311-V315 HydrophobicContact CG2-CG1 3.71Å; V311-F316 HydrophobicContact CG1-CB 4.18Å; V311-F316 HydrophobicContact CG1-CD2 3.88Å; V311-F316 HydrophobicContact CG1-CG 4.45Å; V311-F316 HydrophobicContact CG2-CB 4.33Å
312	D	98.4	Very high	97.6	Very high	33 Å²	33	48.5 Å²	48.5	18%	0.176	25%	0.254	C	S	.	.			trans	-78.7	169.4	174.2	69.7	17.9	0	0	0	112.9	I286 T287 E314 V315 F316	I286-D312 PolarHBondContact O-N 2.98Å; I286-D312 VanDerWaalsContact O-N 3.07Å; T287-D312 WeakPolarHBondContact CA-OD2 3.4Å; T287-D312 VanDerWaalsContact CB-OD2 3.23Å; T287-D312 WeakPolarHBondContact CB-OD2 3.49Å; T287-D312 HydrophobicContact CG2-CB 4.4Å; T287-D312 WeakPolarHBondContact CG2-OD2 3.19Å; D312-E314 VanDerWaalsContact C-N 3.28Å; D312-E314 PolarHBondContact O-N 3.08Å; D312-E314 PolarHBondContact OD1-N 3.23Å; D312-V315 WeakPolarHBondContact OD1-CB 3.23Å; D312-V315 WeakPolarHBondContact OD1-CG2 3.17Å; D312-V315 PolarHBondContact OD1-N 3.41Å; D312-F316 WeakPolarHBondContact O-CB 3.25Å; D312-F316 PolarHBondContact O-N 2.78Å
313	D	98.7	Very high	97.6	Very high	95 Å²	95	48.4 Å²	48.4	51%	0.508	25%	0.253	S	S	.	.	H	α-helix	trans	-68.5	-30.3	178.8	-75.3	-1.8	0	0	0	112.2	R306 F316 Y317	R306-D313 IonicContact CZ-OD1 2.65Å; R306-D313 IonicContact NH1-OD1 2.98Å; R306-D313 PolarHBondContact NH1-OD1 2.99Å; R306-D313 IonicContact NH2-OD1 3.34Å; R306-D313 PolarHBondContact NH2-OD1 2.81Å; D313-F316 PolarHBondContact O-N 2.81Å; D313-Y317 HydrophobicContact CB-CD2 4.04Å; D313-Y317 HydrophobicContact CB-CE2 4.33Å; D313-Y317 WeakPolarHBondContact O-CB 3.15Å; D313-Y317 WeakPolarHBondContact O-CD2 3.37Å; D313-Y317 PolarHBondContact O-N 2.78Å
314	E	98.6	Very high	97.7	Very high	130 Å²	130	53.5 Å²	53.5	61%	0.607	27%	0.274	S	S	*	.	H	α-helix	trans	-63.9	-46.1	-177.7	-165.2	-179.4	178.4	0	0	110.6	M288 D312 S318	M288-E314 HydrophobicContact CE-CG 3.85Å; M288-E314 WeakPolarHBondContact CE-O 3.26Å; M288-E314 HydrophobicContact CG-CB 4.3Å; M288-E314 HydrophobicContact CG-CG 3.73Å; D312-E314 VanDerWaalsContact C-N 3.28Å; D312-E314 PolarHBondContact O-N 3.08Å; D312-E314 PolarHBondContact OD1-N 3.23Å; E314-S318 VanDerWaalsContact O-CB 3.22Å; E314-S318 WeakPolarHBondContact O-CB 3.47Å; E314-S318 PolarHBondContact O-N 3.18Å
315	V	98.8	Very high	97.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-73.2	-47.1	174.5	174.6	0	0	0	0	111	I286 M288 W298 F300 V311 D312 Y317 S318	I286-V315 HydrophobicContact CG2-CG1 4.01Å; I286-V315 HydrophobicContact CG2-CG2 4.42Å; M288-V315 HydrophobicContact CE-CG2 4.12Å; M288-V315 HydrophobicContact CG-CG2 4.15Å; M288-V315 HydrophobicContact SD-CG2 4.03Å; W298-V315 HydrophobicContact CH2-CG1 4.3Å; W298-V315 HydrophobicContact CZ3-CG1 4.19Å; F300-V315 HydrophobicContact CB-CG1 4.05Å; F300-V315 HydrophobicContact CD1-CG1 4.08Å; F300-V315 HydrophobicContact CD2-CG1 3.89Å; F300-V315 HydrophobicContact CE2-CG1 4.38Å; F300-V315 HydrophobicContact CG-CG1 3.73Å; V311-V315 HydrophobicContact CG2-CB 3.69Å; V311-V315 HydrophobicContact CG2-CG1 3.71Å; D312-V315 WeakPolarHBondContact OD1-CB 3.23Å; D312-V315 WeakPolarHBondContact OD1-CG2 3.17Å; D312-V315 PolarHBondContact OD1-N 3.41Å; V315-Y317 VanDerWaalsContact C-N 3.31Å; V315-Y317 PolarHBondContact O-N 3.16Å; V315-S318 VanDerWaalsContact O-CB 3.29Å; V315-S318 WeakPolarHBondContact O-CB 3.47Å; V315-S318 PolarHBondContact O-N 3.03Å; V315-S318 VanDerWaalsContact O-N 3.1Å; V315-S318 PolarHBondContact O-OG 2.81Å
316	F	98.8	Very high	97.9	Very high	9 Å²	9	53 Å²	53	4%	0.039	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-38	-172.6	-174.8	-91.7	0	0	0	112.9	F300 L304 R306 V311 D312 D313 S321 V323 F324	F300-F316 AromaticContact CE1-CD2 3.98Å; F300-F316 HydrophobicContact CE1-CD2 3.98Å; L304-F316 HydrophobicContact CD2-CE2 3.91Å; L304-F316 HydrophobicContact CD2-CZ 3.79Å; R306-F316 HydrophobicContact CB-CD2 4.07Å; R306-F316 HydrophobicContact CB-CE2 3.47Å; R306-F316 VanDerWaalsContact CB-CE2 3.47Å; R306-F316 HydrophobicContact CB-CZ 4.03Å; R306-F316 HydrophobicContact CG-CD2 3.6Å; R306-F316 HydrophobicContact CG-CE2 3.57Å; R306-F316 HydrophobicContact CG-CG 4.4Å; R306-F316 HydrophobicContact CG-CZ 4.35Å; V311-F316 HydrophobicContact CG1-CB 4.18Å; V311-F316 HydrophobicContact CG1-CD2 3.88Å; V311-F316 HydrophobicContact CG1-CG 4.45Å; V311-F316 HydrophobicContact CG2-CB 4.33Å; D312-F316 WeakPolarHBondContact O-CB 3.25Å; D312-F316 PolarHBondContact O-N 2.78Å; D313-F316 PolarHBondContact O-N 2.81Å; F316-S321 WeakPolarHBondContact O-CB 3.33Å; F316-S321 PolarHBondContact O-OG 2.93Å; F316-V323 HydrophobicContact CD2-CG2 4.4Å; F316-V323 HydrophobicContact CE2-CB 4.38Å; F316-V323 HydrophobicContact CE2-CG1 3.82Å; F316-V323 HydrophobicContact CE2-CG2 4.1Å; F316-V323 HydrophobicContact CZ-CG1 3.84Å; F316-F324 HydrophobicContact CE1-CZ 4.2Å
317	Y	98.7	Very high	98.1	Very high	148 Å²	148	52.3 Å²	52.3	58%	0.58	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	8.1	177.5	-61.3	-68.8	0	0	0	113.4	D313 V315 F324	D313-Y317 HydrophobicContact CB-CD2 4.04Å; D313-Y317 HydrophobicContact CB-CE2 4.33Å; D313-Y317 WeakPolarHBondContact O-CB 3.15Å; D313-Y317 WeakPolarHBondContact O-CD2 3.37Å; D313-Y317 PolarHBondContact O-N 2.78Å; V315-Y317 VanDerWaalsContact C-N 3.31Å; V315-Y317 PolarHBondContact O-N 3.16Å; Y317-F324 HydrophobicContact CE1-CE2 4.49Å; Y317-F324 HydrophobicContact CE1-CZ 4.38Å
318	S	98.5	Very high	98.3	Very high	11 Å²	11	52.1 Å²	52.1	8%	0.077	27%	0.269	C	S	.	.	S	Bend	trans	-61.9	155.7	174.4	70.5	0	0	0	0	111.5	E314 V315 Q320 S321	E314-S318 VanDerWaalsContact O-CB 3.22Å; E314-S318 WeakPolarHBondContact O-CB 3.47Å; E314-S318 PolarHBondContact O-N 3.18Å; V315-S318 VanDerWaalsContact O-CB 3.29Å; V315-S318 WeakPolarHBondContact O-CB 3.47Å; V315-S318 PolarHBondContact O-N 3.03Å; V315-S318 VanDerWaalsContact O-N 3.1Å; V315-S318 PolarHBondContact O-OG 2.81Å; S318-Q320 PolarHBondContact O-N 3.22Å; S318-Q320 PolarHBondContact OG-N 2.63Å; S318-S321 WeakPolarHBondContact O-CB 3.35Å; S318-S321 PolarHBondContact O-N 2.83Å; S318-S321 PolarHBondContact OG-N 2.84Å
319	P	98.4	Very high	98.5	Very high	122 Å²	122	48 Å²	48	79%	0.792	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.4	171.4	25.6	-32.5	0	0	0	113.7	S321	P319-S321 VanDerWaalsContact C-N 3.33Å
320	Q	98.6	Very high	98.7	Very high	69 Å²	69	45.8 Å²	45.8	32%	0.322	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-13.4	173.1	-66.7	78.8	6.9	0	0	112.6	W298 T299 F300 S318 L322	W298-Q320 HydrophobicContact CD2-CB 4.21Å; W298-Q320 HydrophobicContact CD2-CG 4.22Å; W298-Q320 HydrophobicContact CE3-CB 3.94Å; W298-Q320 HydrophobicContact CE3-CG 4.46Å; W298-Q320 HydrophobicContact CH2-CB 3.56Å; W298-Q320 HydrophobicContact CH2-CG 4.02Å; W298-Q320 HydrophobicContact CZ2-CB 3.83Å; W298-Q320 HydrophobicContact CZ2-CG 3.74Å; W298-Q320 HydrophobicContact CZ3-CB 3.61Å; W298-Q320 HydrophobicContact CZ3-CG 4.37Å; W298-Q320 WeakPolarHBondContact O-CG 3.37Å; T299-Q320 CarbonylContact C-O 3.45Å; T299-Q320 VanDerWaalsContact CA-O 3.27Å; T299-Q320 WeakPolarHBondContact CA-O 3.46Å; F300-Q320 PolarHBondContact N-O 3.29Å; S318-Q320 PolarHBondContact O-N 3.22Å; S318-Q320 PolarHBondContact OG-N 2.63Å; Q320-L322 PolarHBondContact O-N 2.98Å
321	S	98.9	Very high	98.7	Very high	12 Å²	12	48.5 Å²	48.5	8%	0.084	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-73.6	123.1	175.3	-175.1	0	0	0	0	110.6	F316 S318 P319 V323	F316-S321 WeakPolarHBondContact O-CB 3.33Å; F316-S321 PolarHBondContact O-OG 2.93Å; S318-S321 WeakPolarHBondContact O-CB 3.35Å; S318-S321 PolarHBondContact O-N 2.83Å; S318-S321 PolarHBondContact OG-N 2.84Å; P319-S321 VanDerWaalsContact C-N 3.33Å; S321-V323 VanDerWaalsContact OG-CG2 3.29Å; S321-V323 WeakPolarHBondContact OG-CG2 3.49Å
322	L	98.9	Very high	98.8	Very high	12 Å²	12	49.1 Å²	49.1	6%	0.063	24%	0.244	C	C	.	.			trans	-104.3	11.7	175.7	-57.6	-179.5	0	0	0	112.3	T178 H182 T299 F300 L301 Q320 F324 Q325 E326	T178-L322 HydrophobicContact CG2-CB 3.87Å; T178-L322 HydrophobicContact CG2-CD1 4.1Å; H182-L322 HydrophobicContact CB-CD1 3.84Å; T299-L322 HydrophobicContact CG2-CD1 3.79Å; T299-L322 HydrophobicContact CG2-CG 4.15Å; F300-L322 PolarHBondContact O-N 2.84Å; L301-L322 HydrophobicContact CD2-CB 3.73Å; Q320-L322 PolarHBondContact O-N 2.98Å; L322-F324 VanDerWaalsContact C-N 3.25Å; L322-F324 PolarHBondContact O-N 2.77Å; L322-F324 VanDerWaalsContact O-N 3.14Å; L322-Q325 PolarHBondContact O-N 2.89Å; L322-Q325 VanDerWaalsContact O-N 3.1Å; L322-Q325 PolarHBondContact O-OE1 3.01Å; L322-E326 WeakPolarHBondContact O-CB 3.12Å; L322-E326 PolarHBondContact O-N 2.72Å
323	V	98.8	Very high	98.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-55.2	-36.4	-171.6	171.6	0	0	0	0	113.2	F300 H302 L304 F316 S321 A327	F300-V323 HydrophobicContact CD1-CG2 3.8Å; F300-V323 HydrophobicContact CE1-CG2 3.73Å; H302-V323 HydrophobicContact CB-CG2 3.87Å; L304-V323 HydrophobicContact CD1-CG1 3.88Å; L304-V323 HydrophobicContact CD2-CG1 3.71Å; L304-V323 HydrophobicContact CG-CG1 3.78Å; F316-V323 HydrophobicContact CD2-CG2 4.4Å; F316-V323 HydrophobicContact CE2-CB 4.38Å; F316-V323 HydrophobicContact CE2-CG1 3.82Å; F316-V323 HydrophobicContact CE2-CG2 4.1Å; F316-V323 HydrophobicContact CZ-CG1 3.84Å; S321-V323 VanDerWaalsContact OG-CG2 3.29Å; S321-V323 WeakPolarHBondContact OG-CG2 3.49Å; V323-A327 WeakPolarHBondContact O-CB 3.48Å; V323-A327 PolarHBondContact O-N 2.91Å
324	F	98.8	Very high	98.8	Very high	122 Å²	122	43.3 Å²	43.3	54%	0.535	21%	0.213	S	C	.	.	H	α-helix	trans	-81.2	-34.7	-179.6	-63.7	-62.7	0	0	0	112.7	F316 Y317 L322 E326 A327 E328	F316-F324 HydrophobicContact CE1-CZ 4.2Å; Y317-F324 HydrophobicContact CE1-CE2 4.49Å; Y317-F324 HydrophobicContact CE1-CZ 4.38Å; L322-F324 VanDerWaalsContact C-N 3.25Å; L322-F324 PolarHBondContact O-N 2.77Å; L322-F324 VanDerWaalsContact O-N 3.14Å; F324-E326 VanDerWaalsContact C-N 3.35Å; F324-A327 PolarHBondContact O-N 3.17Å; F324-E328 PolarHBondContact O-N 3.31Å
325	Q	98.8	Very high	98.8	Very high	90 Å²	90	37.2 Å²	37.2	42%	0.421	18%	0.184	S	C	.	.	H	α-helix	trans	-64.6	-42.8	171.1	-64.6	84.1	-13.5	0	0	110.4	T178 L322 E328 N329	T178-Q325 HydrophobicContact CG2-CB 4.05Å; L322-Q325 PolarHBondContact O-N 2.89Å; L322-Q325 VanDerWaalsContact O-N 3.1Å; L322-Q325 PolarHBondContact O-OE1 3.01Å; Q325-E328 WeakPolarHBondContact O-CB 3.46Å; Q325-E328 PolarHBondContact O-N 3.14Å; Q325-N329 WeakPolarHBondContact O-CB 3.39Å; Q325-N329 PolarHBondContact O-N 3.38Å
326	E	98.9	Very high	98.8	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.014	18%	0.184	C	C	.	.	H	α-helix	trans	-55.2	-50.7	171.8	-172.7	-156.2	139.2	0	0	111.1	Q171 D175 T178 L301 H302 C303 L322 F324 E328 N329 R330	Q171-E326 PolarHBondContact NE2-OE1 2.98Å; D175-E326 WeakPolarHBondContact OD1-CG 3.35Å; T178-E326 HydrophobicContact CG2-CB 4.31Å; T178-E326 VanDerWaalsContact OG1-CA 3.32Å; T178-E326 WeakPolarHBondContact OG1-CA 3.49Å; L301-E326 WeakPolarHBondContact CB-OE2 3.42Å; L301-E326 HydrophobicContact CD2-CB 4.08Å; L301-E326 HydrophobicContact CD2-CG 4.19Å; L301-E326 WeakPolarHBondContact CD2-OE2 3.11Å; H302-E326 PolarHBondContact N-OE2 3.45Å; C303-E326 VanDerWaalsContact CA-OE1 3.24Å; C303-E326 WeakPolarHBondContact CA-OE1 3.24Å; C303-E326 PolarHBondContact N-OE1 2.92Å; L322-E326 WeakPolarHBondContact O-CB 3.12Å; L322-E326 PolarHBondContact O-N 2.72Å; F324-E326 VanDerWaalsContact C-N 3.35Å; E326-E328 VanDerWaalsContact C-N 3.32Å; E326-E328 PolarHBondContact O-N 3.22Å; E326-N329 PolarHBondContact O-N 3.19Å; E326-N329 VanDerWaalsContact O-N 3.12Å; E326-R330 PolarHBondContact O-N 3.39Å
327	A	98.8	Very high	98.8	Very high	32 Å²	32	36.9 Å²	36.9	26%	0.264	18%	0.183	S	C	.	.	H	α-helix	trans	-61.2	-37.8	178.4	0	0	0	0	0	113	L304 V323 F324 R330	L304-A327 HydrophobicContact CD1-CB 4.25Å; V323-A327 WeakPolarHBondContact O-CB 3.48Å; V323-A327 PolarHBondContact O-N 2.91Å; F324-A327 PolarHBondContact O-N 3.17Å; A327-R330 VanDerWaalsContact O-CB 3.3Å; A327-R330 WeakPolarHBondContact O-CB 3.35Å; A327-R330 WeakPolarHBondContact O-CG 3.43Å
328	E	98.9	Very high	98.8	Very high	67 Å²	67	30 Å²	30	31%	0.313	16%	0.156	S	C	.	.	H	α-helix	trans	-65	-44.6	173.5	-170	-158.3	133.9	0	0	111.3	K68 F324 Q325 E326 R330 K331 W332	K68-E328 WeakPolarHBondContact CD-OE1 3.08Å; K68-E328 WeakPolarHBondContact CE-OE1 3.43Å; K68-E328 IonicContact NZ-OE1 3.9Å; K68-E328 PolarHBondContact NZ-OE1 3.19Å; K68-E328 IonicContact NZ-OE2 2.85Å; K68-E328 PolarHBondContact NZ-OE2 2.8Å; F324-E328 PolarHBondContact O-N 3.31Å; Q325-E328 WeakPolarHBondContact O-CB 3.46Å; Q325-E328 PolarHBondContact O-N 3.14Å; E326-E328 VanDerWaalsContact C-N 3.32Å; E326-E328 PolarHBondContact O-N 3.22Å; E328-R330 PolarHBondContact O-N 2.79Å; E328-R330 VanDerWaalsContact O-N 3.12Å; E328-K331 VanDerWaalsContact O-CB 3.3Å; E328-K331 WeakPolarHBondContact O-CB 3.43Å; E328-K331 PolarHBondContact O-N 3.21Å; E328-W332 PolarHBondContact OE1-NE1 3.06Å
329	N	98.9	Very high	98.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-19	-176.2	-81.1	-20.9	0	0	0	113.4	K64 A174 L177 T178 E181 Q325 E326 K331 W332 T333	K64-N329 PolarHBondContact NZ-OD1 3.1Å; A174-N329 HydrophobicContact CB-CB 4.17Å; L177-N329 HydrophobicContact CD2-CB 4.07Å; T178-N329 WeakPolarHBondContact CA-ND2 3.4Å; T178-N329 PolarHBondContact OG1-ND2 3.35Å; E181-N329 PolarHBondContact OE2-ND2 3.18Å; Q325-N329 WeakPolarHBondContact O-CB 3.39Å; Q325-N329 PolarHBondContact O-N 3.38Å; E326-N329 PolarHBondContact O-N 3.19Å; E326-N329 VanDerWaalsContact O-N 3.12Å; N329-K331 PolarHBondContact O-N 3.36Å; N329-K331 VanDerWaalsContact O-N 3.16Å; N329-W332 PolarHBondContact O-N 2.98Å; N329-T333 WeakPolarHBondContact O-CG2 3.38Å; N329-T333 PolarHBondContact O-N 3.25Å; N329-T333 PolarHBondContact O-OG1 3.14Å
330	R	98.9	Very high	98.9	Very high	7 Å²	7	23.9 Å²	23.9	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-51.6	-32.5	165.7	-60.1	-69.3	-57.2	-81.1	-9.8	113.3	T93 A174 E326 A327 E328 I334	T93-R330 PolarHBondContact OG1-NH2 2.93Å; A174-R330 HydrophobicContact CB-CG 4.1Å; E326-R330 PolarHBondContact O-N 3.39Å; A327-R330 VanDerWaalsContact O-CB 3.3Å; A327-R330 WeakPolarHBondContact O-CB 3.35Å; A327-R330 WeakPolarHBondContact O-CG 3.43Å; E328-R330 PolarHBondContact O-N 2.79Å; E328-R330 VanDerWaalsContact O-N 3.12Å; R330-I334 WeakPolarHBondContact O-CB 3.38Å; R330-I334 WeakPolarHBondContact O-CG2 3.4Å; R330-I334 PolarHBondContact O-N 2.73Å
331	K	98.9	Very high	98.9	Very high	57 Å²	57	20.7 Å²	20.7	25%	0.248	10%	0.102	C	C	.	.	H	α-helix	trans	-75.4	-46.7	178.7	-173.8	179.1	179.9	174	0	111.9	T99 E328 N329 I334 M335	T99-K331 WeakPolarHBondContact OG1-CE 3.26Å; E328-K331 VanDerWaalsContact O-CB 3.3Å; E328-K331 WeakPolarHBondContact O-CB 3.43Å; E328-K331 PolarHBondContact O-N 3.21Å; N329-K331 PolarHBondContact O-N 3.36Å; N329-K331 VanDerWaalsContact O-N 3.16Å; K331-I334 VanDerWaalsContact O-CG2 3.3Å; K331-I334 WeakPolarHBondContact O-CG2 3.21Å; K331-M335 HydrophobicContact CG-SD 3.91Å; K331-M335 WeakPolarHBondContact O-CB 3.47Å; K331-M335 WeakPolarHBondContact O-CG 3.34Å; K331-M335 PolarHBondContact O-N 3.5Å; K331-M335 VanDerWaalsContact O-N 3.14Å
332	W	98.9	Very high	98.9	Very high	12 Å²	12	20.8 Å²	20.8	5%	0.045	10%	0.101	C	C	.	.	H	α-helix	trans	-71.5	-37.5	-176	-56.6	115.6	0	0	0	112.1	A60 K64 I67 K68 L177 E328 N329 M335 A336	A60-W332 HydrophobicContact CB-CB 4.5Å; K64-W332 HydrophobicContact CB-CB 4.22Å; K64-W332 HydrophobicContact CB-CD2 3.71Å; K64-W332 HydrophobicContact CB-CE3 4.06Å; K64-W332 HydrophobicContact CB-CG 3.76Å; K64-W332 HydrophobicContact CD-CD2 4.45Å; K64-W332 HydrophobicContact CD-CG 3.97Å; K64-W332 HydrophobicContact CG-CD2 3.87Å; K64-W332 HydrophobicContact CG-CG 3.9Å; K64-W332 HydrophobicContact CG-CZ2 4.39Å; I67-W332 HydrophobicContact CB-CH2 4.14Å; I67-W332 HydrophobicContact CB-CZ3 3.94Å; I67-W332 HydrophobicContact CD1-CZ3 4.28Å; I67-W332 HydrophobicContact CG2-CH2 4.09Å; I67-W332 HydrophobicContact CG2-CZ3 4.18Å; K68-W332 HydrophobicContact CB-CH2 3.84Å; K68-W332 HydrophobicContact CB-CZ2 3.63Å; K68-W332 HydrophobicContact CD-CZ2 3.99Å; K68-W332 HydrophobicContact CG-CZ2 4.04Å; L177-W332 HydrophobicContact CD2-CB 4.25Å; E328-W332 PolarHBondContact OE1-NE1 3.06Å; N329-W332 PolarHBondContact O-N 2.98Å; W332-M335 HydrophobicContact CE3-CE 3.92Å; W332-M335 HydrophobicContact CE3-SD 3.83Å; W332-M335 HydrophobicContact CZ3-CE 3.77Å; W332-M335 HydrophobicContact CZ3-SD 4Å; W332-M335 PolarHBondContact O-N 3.4Å; W332-A336 WeakPolarHBondContact O-CB 3.17Å; W332-A336 PolarHBondContact O-N 2.95Å
333	T	98.9	Very high	98.8	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-74.2	-37.9	-179.6	57.8	0	0	0	0	112.7	A60 L173 A174 L177 N329 A336 V337	A60-T333 HydrophobicContact CB-CG2 3.83Å; L173-T333 HydrophobicContact CB-CG2 4.16Å; L173-T333 WeakPolarHBondContact O-CG2 3.46Å; A174-T333 HydrophobicContact CB-CG2 4.49Å; L177-T333 HydrophobicContact CB-CG2 3.94Å; L177-T333 HydrophobicContact CD2-CG2 3.68Å; L177-T333 HydrophobicContact CG-CG2 4.47Å; N329-T333 WeakPolarHBondContact O-CG2 3.38Å; N329-T333 PolarHBondContact O-N 3.25Å; N329-T333 PolarHBondContact O-OG1 3.14Å; T333-A336 WeakPolarHBondContact O-CB 3.44Å; T333-A336 PolarHBondContact O-N 3.37Å; T333-V337 WeakPolarHBondContact O-CG2 3.17Å; T333-V337 PolarHBondContact O-N 3.39Å
334	I	98.9	Very high	98.8	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-67.4	-37.6	173.4	-162.9	172.2	0	0	0	111.8	A97 L139 L170 R330 K331 A336 V337 M338	A97-I334 HydrophobicContact CB-CD1 3.52Å; L139-I334 HydrophobicContact CD1-CD1 3.53Å; L139-I334 HydrophobicContact CD1-CG1 4.49Å; L170-I334 HydrophobicContact CD1-CD1 3.85Å; L170-I334 HydrophobicContact CD1-CG1 4.14Å; L170-I334 HydrophobicContact CD2-CG1 4.2Å; R330-I334 WeakPolarHBondContact O-CB 3.38Å; R330-I334 WeakPolarHBondContact O-CG2 3.4Å; R330-I334 PolarHBondContact O-N 2.73Å; K331-I334 VanDerWaalsContact O-CG2 3.3Å; K331-I334 WeakPolarHBondContact O-CG2 3.21Å; I334-A336 VanDerWaalsContact C-N 3.3Å; I334-A336 PolarHBondContact O-N 3.07Å; I334-V337 PolarHBondContact O-N 3.37Å; I334-M338 HydrophobicContact CD1-CE 4.39Å; I334-M338 HydrophobicContact CG1-CE 4.13Å; I334-M338 VanDerWaalsContact O-CG 3.25Å; I334-M338 WeakPolarHBondContact O-CG 3.43Å; I334-M338 PolarHBondContact O-N 2.91Å
335	M	98.9	Very high	98.8	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-58.7	-44.5	171.5	-75.1	166.8	61.6	0	0	110.9	L63 I67 G100 L103 L104 K331 W332 V337 M338 V339	L63-M335 HydrophobicContact CD1-CB 3.95Å; I67-M335 HydrophobicContact CD1-CE 3.56Å; G100-M335 VanDerWaalsContact CA-CG 3.48Å; L103-M335 HydrophobicContact CD2-CE 4.14Å; L103-M335 HydrophobicContact CD2-SD 4.37Å; L104-M335 HydrophobicContact CD1-CB 4.03Å; L104-M335 HydrophobicContact CD1-CE 4.29Å; L104-M335 HydrophobicContact CD1-CG 4.1Å; L104-M335 HydrophobicContact CD2-CE 3.84Å; L104-M335 HydrophobicContact CG-CE 3.93Å; K331-M335 HydrophobicContact CG-SD 3.91Å; K331-M335 WeakPolarHBondContact O-CB 3.47Å; K331-M335 WeakPolarHBondContact O-CG 3.34Å; K331-M335 PolarHBondContact O-N 3.5Å; K331-M335 VanDerWaalsContact O-N 3.14Å; W332-M335 HydrophobicContact CE3-CE 3.92Å; W332-M335 HydrophobicContact CE3-SD 3.83Å; W332-M335 HydrophobicContact CZ3-CE 3.77Å; W332-M335 HydrophobicContact CZ3-SD 4Å; W332-M335 PolarHBondContact O-N 3.4Å; M335-V337 PolarHBondContact O-N 3.03Å; M335-M338 PolarHBondContact O-N 3.38Å; M335-V339 VanDerWaalsContact O-CG2 3.31Å; M335-V339 WeakPolarHBondContact O-CG2 3.33Å; M335-V339 PolarHBondContact O-N 3.19Å
336	A	98.9	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62	-41.2	177.7	0	0	0	0	0	113.5	M59 A60 L63 W332 T333 I334 S340	M59-A336 HydrophobicContact CB-CB 3.83Å; M59-A336 HydrophobicContact CG-CB 3.58Å; A60-A336 HydrophobicContact CB-CB 3.69Å; L63-A336 HydrophobicContact CD1-CB 4.31Å; W332-A336 WeakPolarHBondContact O-CB 3.17Å; W332-A336 PolarHBondContact O-N 2.95Å; T333-A336 WeakPolarHBondContact O-CB 3.44Å; T333-A336 PolarHBondContact O-N 3.37Å; I334-A336 VanDerWaalsContact C-N 3.3Å; I334-A336 PolarHBondContact O-N 3.07Å; A336-S340 VanDerWaalsContact O-CB 3.28Å; A336-S340 WeakPolarHBondContact O-CB 3.43Å; A336-S340 PolarHBondContact O-N 3.36Å; A336-S340 PolarHBondContact O-OG 3.31Å
337	V	98.9	Very high	98.5	Very high	1 Å²	1	23 Å²	23	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-58.1	-54.2	172.3	169.2	0	0	0	0	109.7	L42 L56 I160 L170 L173 T333 I334 M335 V339 S340 L341	L42-V337 HydrophobicContact CB-CG1 4.43Å; L42-V337 HydrophobicContact CD2-CB 4.27Å; L42-V337 HydrophobicContact CD2-CG1 3.62Å; L42-V337 HydrophobicContact CD2-CG2 3.59Å; L56-V337 HydrophobicContact CD2-CG2 4.14Å; I160-V337 HydrophobicContact CD1-CG1 4.06Å; I160-V337 HydrophobicContact CG1-CG1 4.29Å; I160-V337 HydrophobicContact CG2-CG1 4.34Å; L170-V337 HydrophobicContact CD2-CB 4.4Å; L170-V337 HydrophobicContact CD2-CG1 4.49Å; L170-V337 HydrophobicContact CD2-CG2 3.92Å; L173-V337 HydrophobicContact CD1-CG2 3.57Å; T333-V337 WeakPolarHBondContact O-CG2 3.17Å; T333-V337 PolarHBondContact O-N 3.39Å; I334-V337 PolarHBondContact O-N 3.37Å; M335-V337 PolarHBondContact O-N 3.03Å; V337-V339 VanDerWaalsContact C-N 3.34Å; V337-V339 PolarHBondContact O-N 3.19Å; V337-S340 PolarHBondContact O-N 3.41Å; V337-S340 VanDerWaalsContact O-N 3.15Å; V337-L341 HydrophobicContact CG1-CD1 3.68Å; V337-L341 HydrophobicContact CG1-CG 4.18Å; V337-L341 VanDerWaalsContact O-CG 3.26Å; V337-L341 WeakPolarHBondContact O-CG 3.26Å; V337-L341 PolarHBondContact O-N 2.96Å
338	M	98.8	Very high	98.3	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.02	14%	0.143	C	C	.	.	H	α-helix	trans	-58	-45	-178.7	-62.1	-69	173.4	0	0	112.1	M77 L82 F101 L139 I160 I334 M335 L341 L342	M77-M338 HydrophobicContact CE-CB 4.41Å; M77-M338 WeakPolarHBondContact CE-O 3.23Å; L82-M338 HydrophobicContact CD1-CE 3.77Å; L82-M338 HydrophobicContact CD1-SD 3.97Å; L82-M338 HydrophobicContact CD2-CE 3.57Å; L82-M338 HydrophobicContact CD2-SD 4.21Å; L82-M338 HydrophobicContact CG-CE 4.35Å; F101-M338 HydrophobicContact CD2-CB 4.28Å; F101-M338 HydrophobicContact CD2-CG 4.08Å; F101-M338 HydrophobicContact CD2-SD 4.27Å; F101-M338 HydrophobicContact CE2-CB 4.46Å; F101-M338 HydrophobicContact CE2-SD 4.37Å; L139-M338 HydrophobicContact CB-CE 4.4Å; L139-M338 HydrophobicContact CD1-CE 4.06Å; I160-M338 HydrophobicContact CD1-CE 3.29Å; I160-M338 HydrophobicContact CD1-SD 3.25Å; I160-M338 WeakPolarHBondContact CD1-SD 3.5Å; I334-M338 HydrophobicContact CD1-CE 4.39Å; I334-M338 HydrophobicContact CG1-CE 4.13Å; I334-M338 VanDerWaalsContact O-CG 3.25Å; I334-M338 WeakPolarHBondContact O-CG 3.43Å; I334-M338 PolarHBondContact O-N 2.91Å; M335-M338 PolarHBondContact O-N 3.38Å; M338-L341 PolarHBondContact O-N 3.42Å; M338-L342 VanDerWaalsContact O-CB 3.24Å; M338-L342 WeakPolarHBondContact O-CB 3.35Å; M338-L342 WeakPolarHBondContact O-CG 3.41Å; M338-L342 PolarHBondContact O-N 2.82Å
339	V	98.9	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-47.4	176.4	173.1	0	0	0	0	111.6	M59 L63 L76 M77 L104 M335 V337 L341 L342 T343 Y345	M59-V339 HydrophobicContact CG-CG1 4.49Å; M59-V339 HydrophobicContact SD-CB 4.39Å; M59-V339 HydrophobicContact SD-CG1 3.77Å; L63-V339 HydrophobicContact CD1-CB 4.44Å; L63-V339 HydrophobicContact CD1-CG2 3.97Å; L76-V339 HydrophobicContact CB-CG2 4.46Å; L76-V339 HydrophobicContact CD1-CG1 4.07Å; L76-V339 HydrophobicContact CD1-CG2 3.95Å; M77-V339 HydrophobicContact CE-CB 4.11Å; M77-V339 HydrophobicContact CE-CG2 3.68Å; L104-V339 HydrophobicContact CD1-CG2 3.58Å; L104-V339 HydrophobicContact CD2-CG2 4.46Å; M335-V339 VanDerWaalsContact O-CG2 3.31Å; M335-V339 WeakPolarHBondContact O-CG2 3.33Å; M335-V339 PolarHBondContact O-N 3.19Å; V337-V339 VanDerWaalsContact C-N 3.34Å; V337-V339 PolarHBondContact O-N 3.19Å; V339-L341 PolarHBondContact O-N 3.42Å; V339-L342 PolarHBondContact O-N 2.91Å; V339-T343 WeakPolarHBondContact CG1-OG1 3.34Å; V339-T343 PolarHBondContact O-N 3.39Å; V339-T343 PolarHBondContact O-OG1 3.09Å; V339-Y345 HydrophobicContact CG1-CD1 3.66Å; V339-Y345 HydrophobicContact CG1-CG 4.04Å
340	S	98.8	Very high	97.8	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.035	18%	0.181	C	C	.	.	H	α-helix	trans	-68.7	-32.8	-177.1	-55.6	0	0	0	0	113.1	L37 K38 A336 V337	L37-S340 CarbonylContact C-O 3.57Å; K38-S340 WeakPolarHBondContact CA-O 3.41Å; K38-S340 PolarHBondContact N-O 2.73Å; A336-S340 VanDerWaalsContact O-CB 3.28Å; A336-S340 WeakPolarHBondContact O-CB 3.43Å; A336-S340 PolarHBondContact O-N 3.36Å; A336-S340 PolarHBondContact O-OG 3.31Å; V337-S340 PolarHBondContact O-N 3.41Å; V337-S340 VanDerWaalsContact O-N 3.15Å
341	L	98.8	Very high	97.5	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-83.9	-25.4	-179.7	-60.3	-174.6	0	0	0	112.9	L37 K38 G39 R40 L42 P158 I160 V337 M338 V339	L37-L341 HydrophobicContact CB-CD2 4.14Å; L37-L341 WeakPolarHBondContact O-CD2 3.14Å; K38-L341 CarbonylContact C-O 3.56Å; K38-L341 WeakPolarHBondContact CA-O 3.27Å; G39-L341 PolarHBondContact N-O 3.09Å; R40-L341 HydrophobicContact CB-CD2 4.13Å; R40-L341 WeakPolarHBondContact O-CD1 3.1Å; R40-L341 WeakPolarHBondContact O-CD2 3.43Å; L42-L341 HydrophobicContact CB-CD1 4.38Å; P158-L341 HydrophobicContact CB-CB 4.38Å; P158-L341 HydrophobicContact CB-CD1 4.32Å; P158-L341 HydrophobicContact CG-CB 4.44Å; I160-L341 HydrophobicContact CD1-CD1 3.96Å; I160-L341 HydrophobicContact CG1-CD1 3.8Å; V337-L341 HydrophobicContact CG1-CD1 3.68Å; V337-L341 HydrophobicContact CG1-CG 4.18Å; V337-L341 VanDerWaalsContact O-CG 3.26Å; V337-L341 WeakPolarHBondContact O-CG 3.26Å; V337-L341 PolarHBondContact O-N 2.96Å; M338-L341 PolarHBondContact O-N 3.42Å; V339-L341 PolarHBondContact O-N 3.42Å
342	L	98.7	Very high	97.2	Very high	14 Å²	14	37 Å²	37	7%	0.073	19%	0.19	C	C	.	.	H	α-helix	trans	-116.8	-7.7	-168.6	-59.4	174.3	0	0	0	115.2	M77 K80 F101 N136 A137 P158 M338 V339	M77-L342 HydrophobicContact CE-CB 4.16Å; M77-L342 HydrophobicContact SD-CB 4.18Å; M77-L342 HydrophobicContact SD-CD1 3.95Å; K80-L342 HydrophobicContact CD-CB 4.33Å; K80-L342 PolarHBondContact NZ-O 3.49Å; F101-L342 HydrophobicContact CE2-CD1 4.16Å; N136-L342 WeakPolarHBondContact O-CD2 3.31Å; A137-L342 HydrophobicContact CB-CD1 3.99Å; A137-L342 HydrophobicContact CB-CD2 4.16Å; P158-L342 HydrophobicContact CG-CD2 3.87Å; M338-L342 VanDerWaalsContact O-CB 3.24Å; M338-L342 WeakPolarHBondContact O-CB 3.35Å; M338-L342 WeakPolarHBondContact O-CG 3.41Å; M338-L342 PolarHBondContact O-N 2.82Å; V339-L342 PolarHBondContact O-N 2.91Å
343	T	98.6	Very high	97	Very high	21 Å²	21	41.3 Å²	41.3	13%	0.129	22%	0.218	C	C	.	.			trans	-138.1	168.4	-175.9	75.7	0	0	0	0	111.3	L76 M77 V339 Y345	L76-T343 WeakPolarHBondContact O-CG2 3.34Å; M77-T343 HydrophobicContact CE-CG2 3.49Å; M77-T343 VanDerWaalsContact CE-CG2 3.49Å; M77-T343 HydrophobicContact SD-CG2 4.4Å; V339-T343 WeakPolarHBondContact CG1-OG1 3.34Å; V339-T343 PolarHBondContact O-N 3.39Å; V339-T343 PolarHBondContact O-OG1 3.09Å; T343-Y345 VanDerWaalsContact C-N 3.33Å; T343-Y345 WeakPolarHBondContact OG1-CB 3.47Å; T343-Y345 PolarHBondContact OG1-N 2.94Å
344	D	97.7	Very high	96.5	Very high	122 Å²	122	42.5 Å²	42.5	65%	0.652	22%	0.223	S	C	*	.			trans	-98.9	19.3	170.3	-52.2	-68.4	0	0	0	111.4	K38 S346	K38-D344 WeakPolarHBondContact CD-OD1 3.49Å; K38-D344 VanDerWaalsContact NZ-CG 3.29Å; K38-D344 IonicContact NZ-OD1 2.87Å; K38-D344 PolarHBondContact NZ-OD1 3.17Å; K38-D344 VanDerWaalsContact NZ-OD1 3.17Å; K38-D344 IonicContact NZ-OD2 3.54Å; K38-D344 PolarHBondContact NZ-OD2 3.01Å; D344-S346 PolarHBondContact O-N 3.04Å
345	Y	98	Very high	96.4	Very high	32 Å²	32	44.5 Å²	44.5	13%	0.125	23%	0.233	C	C	.	.			trans	-61.6	131.5	178.5	175.9	-96.6	0	0	0	110.4	Y55 M59 D62 R66 L76 V339 T343	Y55-Y345 PolarHBondContact OH-O 3.11Å; M59-Y345 HydrophobicContact CE-CD1 3.67Å; M59-Y345 HydrophobicContact CE-CE1 3.87Å; M59-Y345 HydrophobicContact SD-CD1 3.47Å; M59-Y345 WeakPolarHBondContact SD-CD1 3.42Å; M59-Y345 HydrophobicContact SD-CE1 3.53Å; M59-Y345 VanDerWaalsContact SD-CE1 3.53Å; D62-Y345 WeakPolarHBondContact OD2-CE1 3.31Å; D62-Y345 PolarHBondContact OD2-OH 3.28Å; R66-Y345 PolarHBondContact NH1-OH 3.26Å; L76-Y345 HydrophobicContact CD1-CD1 4.12Å; L76-Y345 HydrophobicContact CD1-CD2 3.97Å; L76-Y345 HydrophobicContact CD1-CE1 4.42Å; L76-Y345 HydrophobicContact CD1-CE2 4.28Å; L76-Y345 HydrophobicContact CD1-CG 3.88Å; L76-Y345 HydrophobicContact CD2-CD2 3.76Å; L76-Y345 HydrophobicContact CD2-CE2 4.32Å; L76-Y345 HydrophobicContact CD2-CG 4.27Å; V339-Y345 HydrophobicContact CG1-CD1 3.66Å; V339-Y345 HydrophobicContact CG1-CG 4.04Å; T343-Y345 VanDerWaalsContact C-N 3.33Å; T343-Y345 WeakPolarHBondContact OG1-CB 3.47Å; T343-Y345 PolarHBondContact OG1-N 2.94Å
346	S	96.6	Very high	96.3	Very high	81 Å²	81	46.7 Å²	46.7	57%	0.566	25%	0.245	S	C	*	.			trans	-109	135.5	175.7	-63.9	0	0	0	0	109.8	D344	D344-S346 PolarHBondContact O-N 3.04Å
347	P	96.2	Very high	96.1	Very high	16 Å²	16	49.3 Å²	49.3	10%	0.104	26%	0.259	C	S	.	.			trans	-64.9	141.6	-178.2	19.3	-18.8	0	0	0	111.1	Y55 W58 M59 D62	Y55-P347 HydrophobicContact CE2-CG 4.23Å; W58-P347 HydrophobicContact CD2-CB 4.02Å; W58-P347 HydrophobicContact CD2-CG 3.43Å; W58-P347 VanDerWaalsContact CD2-CG 3.43Å; W58-P347 VanDerWaalsContact CE2-CG 3.43Å; W58-P347 HydrophobicContact CE3-CG 3.58Å; W58-P347 HydrophobicContact CG-CB 4.31Å; W58-P347 HydrophobicContact CG-CG 4.06Å; W58-P347 HydrophobicContact CH2-CG 3.76Å; W58-P347 HydrophobicContact CZ2-CB 4Å; W58-P347 HydrophobicContact CZ2-CG 3.62Å; W58-P347 HydrophobicContact CZ3-CG 3.74Å; M59-P347 HydrophobicContact CE-CB 3.67Å; M59-P347 HydrophobicContact CE-CG 3.47Å; M59-P347 VanDerWaalsContact CE-CG 3.47Å; D62-P347 HydrophobicContact CB-CB 3.73Å
348	Q	93.9	Very high	96	Very high	128 Å²	128	52.1 Å²	52.1	60%	0.598	27%	0.274	S	S	*	.			trans	-97.2	-25.9	-177.4	-63.1	-172.2	-9.5	0	0	112.5	D62 R66	D62-Q348 PolarHBondContact OD1-N 3.5Å; R66-Q348 VanDerWaalsContact CZ-OE1 3.24Å
349	L	93.2	Very high	95.8	Very high	55 Å²	55	55.1 Å²	55.1	29%	0.288	29%	0.29	S	S	.	.	S	Bend	trans	-62	146.1	174.6	-167.6	65.7	0	0	0	110.4	W58 S61 D62 Q65 K351	W58-L349 VanDerWaalsContact CE2-O 3.31Å; W58-L349 VanDerWaalsContact CZ2-O 3.3Å; W58-L349 WeakPolarHBondContact CZ2-O 3.29Å; W58-L349 PolarHBondContact NE1-O 3.09Å; S61-L349 WeakPolarHBondContact OG-CD2 3.42Å; D62-L349 HydrophobicContact CB-CB 4Å; D62-L349 PolarHBondContact OD1-N 3.27Å; Q65-L349 HydrophobicContact CB-CD2 4.32Å; Q65-L349 HydrophobicContact CG-CD1 4.14Å; L349-K351 PolarHBondContact O-N 3.42Å
350	Q	94.3	Very high	95.6	Very high	177 Å²	177	58.8 Å²	58.8	83%	0.827	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-57	135.9	167	-176.2	175.5	8.2	0	0	109.5	P352	Q350-P352 WeakPolarHBondContact O-CD 3.39Å
351	K	93.8	Very high	95.4	Very high	77 Å²	77	62.6 Å²	62.6	34%	0.335	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-55.1	125.8	179.7	-173.4	-177.6	175.1	-173.1	0	110.3	M33 W58 L349 F354	M33-K351 HydrophobicContact SD-CD 4.24Å; M33-K351 PolarHBondContact SD-NZ 2.68Å; W58-K351 HydrophobicContact CD2-CB 4.07Å; W58-K351 HydrophobicContact CD2-CG 4.03Å; W58-K351 HydrophobicContact CE3-CB 4.45Å; W58-K351 HydrophobicContact CE3-CG 4.23Å; W58-K351 HydrophobicContact CG-CB 4.47Å; W58-K351 HydrophobicContact CG-CG 4.22Å; W58-K351 HydrophobicContact CZ2-CB 4.26Å; L349-K351 PolarHBondContact O-N 3.42Å; K351-F354 HydrophobicContact CG-CE2 4.29Å
352	P	92.2	Very high	95.1	Very high	21 Å²	21	67.3 Å²	67.3	14%	0.136	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-60.9	157.1	175.1	-22.5	31.8	0	0	0	112.2	Q350 F354	Q350-P352 WeakPolarHBondContact O-CD 3.39Å; P352-F354 HydrophobicContact CB-CE1 4.49Å; P352-F354 HydrophobicContact CB-CE2 3.95Å; P352-F354 HydrophobicContact CB-CZ 3.9Å; P352-F354 HydrophobicContact CG-CE2 4.26Å; P352-F354 HydrophobicContact CG-CZ 4.05Å; P352-F354 WeakPolarHBondContact O-CD2 3.32Å; P352-F354 WeakPolarHBondContact O-CE2 3.35Å
353	T	93.8	Very high	94.8	Very high	102 Å²	102	71.8 Å²	71.8	63%	0.626	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-74.1	132.9	167.6	-55.8	0	0	0	0	109	Q180 G184	Q180-T353 WeakPolarHBondContact CG-O 3.17Å; Q180-T353 PolarHBondContact NE2-O 3.27Å; G184-T353 WeakPolarHBondContact O-CB 3.38Å
354	F	89.4	Confident	94.5	Very high	29 Å²	29	76.4 Å²	76.4	13%	0.127	40%	0.399	C	S	.	.			trans	-125.6	0	179.5	-66.5	-74.6	0	0	0	110.1	R54 L57 W58 Q180 L186 N187 K351 P352	R54-F354 HydrophobicContact CB-CD2 4Å; R54-F354 HydrophobicContact CB-CE2 4.13Å; R54-F354 HydrophobicContact CB-CG 4.43Å; R54-F354 HydrophobicContact CG-CB 4.06Å; R54-F354 HydrophobicContact CG-CD2 3.89Å; R54-F354 HydrophobicContact CG-CE2 4.47Å; R54-F354 HydrophobicContact CG-CG 3.9Å; L57-F354 HydrophobicContact CB-CE1 3.49Å; L57-F354 VanDerWaalsContact CB-CE1 3.49Å; L57-F354 HydrophobicContact CB-CZ 3.62Å; L57-F354 HydrophobicContact CD1-CD1 4.11Å; L57-F354 HydrophobicContact CD1-CE1 3.67Å; L57-F354 HydrophobicContact CG-CE1 4.24Å; W58-F354 HydrophobicContact CB-CE2 4.46Å; W58-F354 HydrophobicContact CB-CZ 4.47Å; Q180-F354 HydrophobicContact CG-CD1 3.87Å; Q180-F354 HydrophobicContact CG-CE1 3.82Å; L186-F354 WeakPolarHBondContact CA-OXT 3.26Å; L186-F354 HydrophobicContact CD1-CD1 4.18Å; L186-F354 PolarHBondContact N-OXT 3.2Å; N187-F354 PolarHBondContact N-OXT 2.99Å; K351-F354 HydrophobicContact CG-CE2 4.29Å; P352-F354 HydrophobicContact CB-CE1 4.49Å; P352-F354 HydrophobicContact CB-CE2 3.95Å; P352-F354 HydrophobicContact CB-CZ 3.9Å; P352-F354 HydrophobicContact CG-CE2 4.26Å; P352-F354 HydrophobicContact CG-CZ 4.05Å; P352-F354 WeakPolarHBondContact O-CD2 3.32Å; P352-F354 WeakPolarHBondContact O-CE2 3.35Å

Retrieved 354 of 354 residues in 131.8 ms (Link to these results)

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