A0A087X9B3_POEFO Loading...

Lysosomal acid phosphatase

AlphaFold DB , UniProt , Accession A0A087X9B3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 432 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	R	34.7	Very low	34.9	Very low	298 Å²	298	152.1 Å²	152.1	100%	1.125	82%	0.824	S	S	*	*				0	118	0	-105.8	-179.8	-175.7	177.8	1.6	107.7
2	Y	33.3	Very low	35.3	Very low	192 Å²	192	155.1 Å²	155.1	75%	0.753	83%	0.832	S	S	*	*			trans	52.3	110.2	151.2	-86.7	-105.1	0	0	0	119.4
3	Q	35.6	Very low	35.9	Very low	161 Å²	161	152.2 Å²	152.2	75%	0.752	82%	0.823	S	S	*	*				73.4	140.9	98.5	-81.6	-170.8	-9.4	0	0	112.9
4	S	34.2	Very low	36.6	Very low	91 Å²	91	146.4 Å²	146.4	64%	0.636	80%	0.799	S	S	*	*			cis	-178.3	167.1	-0.1	57.7	0	0	0	0	107.8
5	R	36	Very low	37.3	Very low	228 Å²	228	144.9 Å²	144.9	86%	0.86	80%	0.797	S	S	*	*			trans	73.4	143.8	162	-71.4	177.3	175.6	-174.7	-1.4	116.1
6	T	33.3	Very low	38	Very low	132 Å²	132	140.9 Å²	140.9	81%	0.81	78%	0.783	S	S	*	*			cis	-166	161.2	32.9	-11.1	0	0	0	0	110.6
7	T	40.4	Very low	38.5	Very low	138 Å²	138	136.4 Å²	136.4	85%	0.847	77%	0.767	S	S	*	*			trans	-69.9	143.6	177.7	43.7	0	0	0	0	116.2
8	S	32.6	Very low	38.8	Very low	120 Å²	120	136.4 Å²	136.4	84%	0.839	77%	0.765	S	S	*	*			trans	-172.6	125.8	146.6	134.8	0	0	0	0	105.1
9	G	36.7	Very low	39	Very low	79 Å²	79	137.2 Å²	137.2	81%	0.814	76%	0.759	S	S	*	*			cis	97.2	85.8	44.2	0	0	0	0	0	107.7
10	G	30.6	Very low	39.2	Very low	75 Å²	75	137.1 Å²	137.1	77%	0.773	76%	0.757	S	S	*	*			trans	167.8	68	179.1	0	0	0	0	0	114.5	M12	G10-M12 PolarHBondContact O-N 3.3Å; G10-M12 VanDerWaalsContact O-N 3.14Å
11	N	36.4	Very low	39.5	Very low	159 Å²	159	136 Å²	136	85%	0.85	75%	0.753	S	S	*	*			trans	-71.4	102.5	162	-86.7	-12	0	0	0	108.2	V13	N11-V13 HydrophobicContact CB-CG2 4.47Å; N11-V13 PolarHBondContact O-N 3.3Å
12	M	39.8	Very low	39.8	Very low	188 Å²	188	125.1 Å²	125.1	93%	0.926	72%	0.723	S	S	*	*			trans	-64.7	87.2	160.2	-113.9	172.1	41.7	0	0	107.8	G10 S14	G10-M12 PolarHBondContact O-N 3.3Å; G10-M12 VanDerWaalsContact O-N 3.14Å; M12-S14 PolarHBondContact O-N 2.69Å
13	V	43.3	Very low	40.2	Very low	118 Å²	118	122 Å²	122	72%	0.715	72%	0.719	S	S	*	*			trans	-73.4	110.1	165.3	-178.6	0	0	0	0	106.3	N11 T15	N11-V13 HydrophobicContact CB-CG2 4.47Å; N11-V13 PolarHBondContact O-N 3.3Å; V13-T15 PolarHBondContact O-N 3.22Å
14	S	45.4	Very low	40.6	Very low	70 Å²	70	118.2 Å²	118.2	49%	0.49	72%	0.715	S	S	.	*			trans	-44.7	118.8	176.3	-179.9	0	0	0	0	111.4	M12 S16 A17	M12-S14 PolarHBondContact O-N 2.69Å; S14-S16 PolarHBondContact O-N 3.36Å; S14-S16 WeakPolarHBondContact OG-CB 3.45Å; S14-S16 PolarHBondContact OG-N 3.34Å; S14-S16 PolarHBondContact OG-OG 2.9Å; S14-A17 PolarHBondContact O-N 3.19Å
15	T	47.2	Very low	41.1	Very low	124 Å²	124	119.2 Å²	119.2	76%	0.761	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-2.6	171.3	34.9	0	0	0	0	113.2	V13	V13-T15 PolarHBondContact O-N 3.22Å
16	S	47.9	Very low	41.6	Very low	82 Å²	82	112.4 Å²	112.4	57%	0.573	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-13.1	175.1	-48.6	0	0	0	0	114.2	S14	S14-S16 PolarHBondContact O-N 3.36Å; S14-S16 WeakPolarHBondContact OG-CB 3.45Å; S14-S16 PolarHBondContact OG-N 3.34Å; S14-S16 PolarHBondContact OG-OG 2.9Å
17	A	46.8	Very low	42.1	Very low	63 Å²	63	112 Å²	112	52%	0.521	72%	0.716	S	S	.	*	S	Bend	trans	-87.1	-19	-178.8	0	0	0	0	0	114.3	S14	S14-A17 PolarHBondContact O-N 3.19Å
18	L	43.7	Very low	42.1	Very low	137 Å²	137	108.5 Å²	108.5	72%	0.717	71%	0.707	S	S	*	*	S	Bend	trans	-89.8	-13.2	-179.7	-88.1	150.5	0	0	0	114	S22	L18-S22 PolarHBondContact O-OG 3Å
19	F	43.8	Very low	42.5	Very low	152 Å²	152	110.3 Å²	110.3	67%	0.667	70%	0.703	S	S	*	*	H	α-helix	trans	-87.4	-18	174.4	-102.3	-84.7	0	0	0	113.9	S22	F19-S22 PolarHBondContact O-OG 3.42Å
20	L	42.3	Very low	42.8	Very low	135 Å²	135	112.6 Å²	112.6	71%	0.707	70%	0.701	S	S	*	*	H	α-helix	trans	-87.4	-18	178.1	-77.4	164.7	0	0	0	113.4
21	V	44.7	Very low	43.6	Very low	113 Å²	113	117.3 Å²	117.3	69%	0.685	70%	0.7	S	S	*	*	H	α-helix	trans	-88.9	-21.5	175.1	-177.4	0	0	0	0	111.9
22	S	42.9	Very low	44.6	Very low	71 Å²	71	112.6 Å²	112.6	50%	0.497	68%	0.683	S	S	.	*	H	α-helix	trans	-86.3	-15.1	177.6	35.1	0	0	0	0	114	L18 F19	L18-S22 PolarHBondContact O-OG 3Å; F19-S22 PolarHBondContact O-OG 3.42Å
23	L	41.2	Very low	46.1	Very low	126 Å²	126	111.9 Å²	111.9	66%	0.66	68%	0.677	S	S	*	*	S	Bend	trans	-92.7	-14.2	173.9	-95.4	144.1	0	0	0	114.1	S25	L23-S25 VanDerWaalsContact C-N 3.31Å
24	A	42.7	Very low	48.4	Very low	82 Å²	82	109.3 Å²	109.3	68%	0.678	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-13.1	173.7	0	0	0	0	0	113.3
25	S	44.8	Very low	50.8	Low	111 Å²	111	112 Å²	112	78%	0.776	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	4.6	-177	-135	0	0	0	0	114.4	L23	L23-S25 VanDerWaalsContact C-N 3.31Å
26	A	46.2	Very low	53.1	Low	86 Å²	86	107.6 Å²	107.6	71%	0.711	63%	0.631	S	S	*	*	S	Bend	trans	-118	10.2	-174.6	0	0	0	0	0	114.7
27	C	45.5	Very low	55.5	Low	122 Å²	122	105.6 Å²	105.6	82%	0.824	61%	0.614	S	S	*	*			trans	-124.7	23.6	175.9	-138	0	0	0	0	113.5	Q29	C27-Q29 VanDerWaalsContact C-N 3.26Å; C27-Q29 PolarHBondContact O-N 2.92Å
28	G	39.4	Very low	57.9	Low	65 Å²	65	102.6 Å²	102.6	67%	0.67	59%	0.589	S	S	*	*			trans	-85.6	71.2	157.8	0	0	0	0	0	109	V30	G28-V30 PolarHBondContact O-N 3.15Å
29	Q	40.4	Very low	60.6	Low	158 Å²	158	96.1 Å²	96.1	74%	0.738	56%	0.555	S	S	*	*			trans	-63.2	96.6	149.2	-92.1	-178.3	-39.5	0	0	104.4	C27 F31	C27-Q29 VanDerWaalsContact C-N 3.26Å; C27-Q29 PolarHBondContact O-N 2.92Å; Q29-F31 PolarHBondContact O-N 2.74Å
30	V	44	Very low	63.2	Low	128 Å²	128	89 Å²	89	78%	0.776	52%	0.524	S	S	*	.			trans	-56	98.9	155.5	179.2	0	0	0	0	103.1	G28 A32	G28-V30 PolarHBondContact O-N 3.15Å; V30-A32 VanDerWaalsContact C-N 3.33Å; V30-A32 PolarHBondContact O-N 2.87Å
31	F	48	Very low	65.9	Low	174 Å²	174	82.6 Å²	82.6	76%	0.763	49%	0.49	S	S	*	.			trans	-57	111.9	164	-78.7	-81.8	0	0	0	103.8	Q29 E33	Q29-F31 PolarHBondContact O-N 2.74Å; F31-E33 PolarHBondContact O-N 3.5Å
32	A	56.2	Low	68.5	Low	59 Å²	59	77.2 Å²	77.2	49%	0.488	46%	0.458	S	S	.	.			trans	-50.4	107.8	172.6	0	0	0	0	0	107	V30 R34 D324	V30-A32 VanDerWaalsContact C-N 3.33Å; V30-A32 PolarHBondContact O-N 2.87Å; A32-R34 VanDerWaalsContact C-N 3.26Å; A32-R34 PolarHBondContact O-N 2.97Å; A32-D324 WeakPolarHBondContact CA-OD2 3.35Å; A32-D324 WeakPolarHBondContact CB-OD2 3.21Å
33	E	72.6	Confident	71.1	Confident	173 Å²	173	73.9 Å²	73.9	81%	0.808	43%	0.434	S	S	*	.			trans	-85.5	79	-171.8	-165	175.4	-167.7	0	0	107.3	F31 Q35	F31-E33 PolarHBondContact O-N 3.5Å; E33-Q35 PolarHBondContact O-N 2.92Å
34	R	90.4	Very high	73.9	Confident	64 Å²	64	68 Å²	68	24%	0.242	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-57.7	132.5	176.9	66.7	176.3	-171.8	161.5	2.7	110.2	A32 Y321 R322 E323 S331	A32-R34 VanDerWaalsContact C-N 3.26Å; A32-R34 PolarHBondContact O-N 2.97Å; R34-Y321 HydrophobicContact CB-CD1 4.27Å; R34-Y321 HydrophobicContact CG-CD1 3.67Å; R34-Y321 HydrophobicContact CG-CE1 4.22Å; R34-Y321 HydrophobicContact CG-CG 4.15Å; R34-R322 WeakPolarHBondContact CA-O 3.19Å; R34-E323 WeakPolarHBondContact CB-OE2 3.5Å; R34-S331 PolarHBondContact NH1-OG 3.36Å; R34-S331 PolarHBondContact NH2-OG 2.98Å
35	Q	95.3	Very high	76.6	Confident	128 Å²	128	64.2 Å²	64.2	60%	0.598	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.3	-175.2	-176.4	-177.2	23.3	0	0	110.6	E33 I37 Y321 R322	E33-Q35 PolarHBondContact O-N 2.92Å; Q35-I37 HydrophobicContact CG-CG2 4.27Å; Q35-I37 PolarHBondContact O-N 3.1Å; Q35-Y321 CarbonylContact O-C 3.56Å; Q35-Y321 VanDerWaalsContact O-CA 3.24Å; Q35-Y321 WeakPolarHBondContact O-CA 3.49Å; Q35-R322 HydrophobicContact CB-CB 4.4Å; Q35-R322 PolarHBondContact N-O 3.04Å; Q35-R322 PolarHBondContact O-N 3.28Å
36	L	97.3	Very high	79.1	Confident	30 Å²	30	59 Å²	59	16%	0.157	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	125.7	170.6	-179.6	63.3	0	0	0	109.6	Y90 F93 E319 Y321	L36-Y90 HydrophobicContact CD2-CD1 3.67Å; L36-Y90 HydrophobicContact CD2-CE1 3.7Å; L36-F93 HydrophobicContact CB-CD2 4.21Å; L36-F93 HydrophobicContact CB-CE2 4.48Å; L36-F93 HydrophobicContact CD2-CB 4.02Å; L36-F93 HydrophobicContact CD2-CD1 3.54Å; L36-F93 HydrophobicContact CD2-CD2 4.06Å; L36-F93 HydrophobicContact CD2-CE1 3.95Å; L36-F93 HydrophobicContact CD2-CE2 4.44Å; L36-F93 HydrophobicContact CD2-CG 3.6Å; L36-F93 HydrophobicContact CD2-CZ 4.39Å; L36-F93 HydrophobicContact CG-CD1 4.09Å; L36-F93 HydrophobicContact CG-CD2 3.93Å; L36-F93 HydrophobicContact CG-CE1 4.11Å; L36-F93 HydrophobicContact CG-CE2 3.97Å; L36-F93 HydrophobicContact CG-CG 4.01Å; L36-F93 HydrophobicContact CG-CZ 4.06Å; L36-F93 WeakPolarHBondContact O-CD2 3.46Å; L36-F93 WeakPolarHBondContact O-CE2 3.13Å; L36-E319 HydrophobicContact CD1-CB 3.75Å; L36-E319 HydrophobicContact CD1-CG 3.93Å; L36-Y321 HydrophobicContact CB-CD1 4.08Å; L36-Y321 HydrophobicContact CB-CE1 3.78Å; L36-Y321 HydrophobicContact CD1-CD1 4.42Å; L36-Y321 HydrophobicContact CD1-CE1 4.06Å; L36-Y321 HydrophobicContact CD1-CE2 4.3Å; L36-Y321 HydrophobicContact CG-CE1 4.49Å
37	I	97	Very high	81.6	Confident	40 Å²	40	54.9 Å²	54.9	21%	0.205	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-22.5	-177.7	59.1	166.2	0	0	0	113.8	Q35 L320 R322	Q35-I37 HydrophobicContact CG-CG2 4.27Å; Q35-I37 PolarHBondContact O-N 3.1Å; I37-L320 HydrophobicContact CD1-CD2 3.72Å; I37-L320 HydrophobicContact CD1-CG 3.91Å; I37-L320 HydrophobicContact CG1-CB 4.29Å; I37-L320 HydrophobicContact CG1-CD2 3.92Å; I37-L320 HydrophobicContact CG1-CG 3.84Å; I37-L320 VanDerWaalsContact CG1-O 3.23Å; I37-L320 WeakPolarHBondContact CG1-O 3.47Å; I37-L320 PolarHBondContact N-O 2.65Å; I37-R322 HydrophobicContact CD1-CB 4.38Å; I37-R322 HydrophobicContact CG2-CB 3.86Å
38	Y	98.5	Very high	84.2	Confident	1 Å²	1	49.6 Å²	49.6	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	149.8	176.6	176.2	-106.7	0	0	0	111	T40 N270 L271 M274 L283 K284 M286 L320	Y38-T40 WeakPolarHBondContact CE1-OG1 3.24Å; Y38-T40 PolarHBondContact OH-OG1 3.31Å; Y38-N270 HydrophobicContact CE1-CB 4.28Å; Y38-L271 HydrophobicContact CD1-CD2 4.04Å; Y38-L271 HydrophobicContact CE1-CD2 4.32Å; Y38-M274 HydrophobicContact CD1-CB 4.11Å; Y38-M274 HydrophobicContact CD1-CG 3.87Å; Y38-M274 HydrophobicContact CD2-CB 4.43Å; Y38-M274 HydrophobicContact CD2-CE 3.65Å; Y38-M274 HydrophobicContact CD2-CG 3.71Å; Y38-M274 HydrophobicContact CD2-SD 4.22Å; Y38-M274 HydrophobicContact CE1-CG 4.09Å; Y38-M274 HydrophobicContact CE2-CE 4.32Å; Y38-M274 HydrophobicContact CE2-CG 3.94Å; Y38-M274 HydrophobicContact CE2-SD 4.4Å; Y38-M274 HydrophobicContact CG-CB 3.92Å; Y38-M274 HydrophobicContact CG-CE 4.11Å; Y38-M274 HydrophobicContact CG-CG 3.64Å; Y38-L283 HydrophobicContact CE2-CD2 3.96Å; Y38-L283 HydrophobicContact CE2-CG 4.07Å; Y38-K284 CarbonylContact C-O 3.43Å; Y38-K284 WeakPolarHBondContact CA-O 3.37Å; Y38-K284 VanDerWaalsContact CD2-O 3.31Å; Y38-K284 WeakPolarHBondContact CD2-O 3.35Å; Y38-M286 HydrophobicContact CE2-CB 4.39Å; Y38-M286 VanDerWaalsContact OH-CB 3.3Å; Y38-M286 WeakPolarHBondContact OH-CB 3.24Å; Y38-L320 PolarHBondContact N-O 3.43Å; Y38-L320 PolarHBondContact O-N 3.01Å
39	A	98.8	Very high	87	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.6	172.8	0	0	0	0	0	111.8	Y90 K284 L285 M286 I318 E319	A39-Y90 HydrophobicContact CB-CE1 4.23Å; A39-K284 PolarHBondContact N-O 2.98Å; A39-L285 HydrophobicContact CB-CD1 4.01Å; A39-L285 CarbonylContact O-C 3.53Å; A39-L285 WeakPolarHBondContact O-CA 3.27Å; A39-M286 PolarHBondContact O-N 3.17Å; A39-I318 CarbonylContact C-O 3.58Å; A39-I318 VanDerWaalsContact CA-O 3.32Å; A39-I318 WeakPolarHBondContact CA-O 3.36Å; A39-E319 HydrophobicContact CB-CG 4.13Å
40	T	98.9	Very high	89.7	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.4	165.3	-61	0	0	0	0	108.7	Y38 I267 M286 L288 I318	Y38-T40 WeakPolarHBondContact CE1-OG1 3.24Å; Y38-T40 PolarHBondContact OH-OG1 3.31Å; T40-I267 HydrophobicContact CG2-CG1 4.31Å; T40-M286 CarbonylContact C-O 3.6Å; T40-M286 WeakPolarHBondContact CA-O 3.45Å; T40-M286 HydrophobicContact CG2-CB 4.31Å; T40-M286 HydrophobicContact CG2-CG 4.39Å; T40-L288 HydrophobicContact CG2-CD1 3.75Å; T40-L288 HydrophobicContact CG2-CG 4.31Å; T40-I318 PolarHBondContact N-O 3.21Å; T40-I318 PolarHBondContact O-N 2.9Å
41	V	98.9	Very high	92.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.3	173.3	-59.9	0	0	0	0	109.6	F43 L86 Y90 L285 M286 M287 L288 I317	V41-F43 HydrophobicContact CG2-CD1 4.24Å; V41-F43 HydrophobicContact CG2-CE1 4.2Å; V41-L86 HydrophobicContact CG1-CD2 4.14Å; V41-L86 HydrophobicContact CG2-CD1 4.29Å; V41-Y90 HydrophobicContact CG1-CE2 4.34Å; V41-L285 HydrophobicContact CG1-CD1 4.02Å; V41-L285 HydrophobicContact CG2-CD1 4.04Å; V41-M286 PolarHBondContact N-O 3.31Å; V41-M287 HydrophobicContact CG2-CB 4.1Å; V41-M287 HydrophobicContact CG2-CG 3.66Å; V41-L288 PolarHBondContact O-N 2.98Å; V41-I317 HydrophobicContact CG1-CG1 4.12Å; V41-I317 HydrophobicContact CG1-CG2 4.29Å
42	L	98.9	Very high	94.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.6	173.8	173.2	70.6	0	0	0	108.7	L155 L263 L288 A290 T294 V295 L298 C315 H316	L42-L155 HydrophobicContact CD1-CD2 4Å; L42-L263 HydrophobicContact CD1-CD2 4.39Å; L42-L263 HydrophobicContact CD2-CD2 3.87Å; L42-L288 WeakPolarHBondContact CA-O 3.49Å; L42-L288 HydrophobicContact CB-CB 4.34Å; L42-L288 HydrophobicContact CD1-CB 3.64Å; L42-L288 HydrophobicContact CD1-CD1 4.4Å; L42-A290 HydrophobicContact CD1-CB 3.94Å; L42-T294 HydrophobicContact CD1-CG2 3.94Å; L42-T294 HydrophobicContact CD2-CG2 4.24Å; L42-V295 HydrophobicContact CD2-CG2 4.21Å; L42-V295 HydrophobicContact CG-CG2 4.17Å; L42-L298 HydrophobicContact CD2-CB 4.05Å; L42-L298 HydrophobicContact CD2-CD2 3.55Å; L42-L298 HydrophobicContact CD2-CG 4.45Å; L42-C315 CarbonylContact O-C 3.58Å; L42-C315 WeakPolarHBondContact O-CA 3.12Å; L42-H316 PolarHBondContact N-O 2.85Å; L42-H316 PolarHBondContact O-N 3.4Å
43	F	98.9	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.4	-179.4	51.5	-92.6	0	0	0	112.7	V41 L82 M287 L288 S289 A290 S314 C315	V41-F43 HydrophobicContact CG2-CD1 4.24Å; V41-F43 HydrophobicContact CG2-CE1 4.2Å; F43-L82 HydrophobicContact CB-CD2 3.84Å; F43-L82 HydrophobicContact CD1-CD2 4.45Å; F43-L82 HydrophobicContact CD2-CD2 4.5Å; F43-L82 HydrophobicContact CG-CD2 4.03Å; F43-M287 HydrophobicContact CE1-CB 4.12Å; F43-M287 HydrophobicContact CE1-CE 3.68Å; F43-M287 HydrophobicContact CZ-CE 3.89Å; F43-L288 PolarHBondContact N-O 2.9Å; F43-S289 VanDerWaalsContact CE2-CB 3.4Å; F43-S289 WeakPolarHBondContact CE2-OG 3.48Å; F43-A290 PolarHBondContact O-N 3.07Å; F43-S314 WeakPolarHBondContact CA-O 3.14Å; F43-S314 WeakPolarHBondContact CB-O 3.28Å; F43-C315 HydrophobicContact CB-CB 4.03Å
44	R	98.9	Very high	97.7	Very high	4 Å²	4	22 Å²	22	2%	0.015	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	145.7	167.1	-176.7	-175	-175.1	-163.6	-0.2	108.6	Q79 A290 D292 V295 A310 P311 Y312 A313 S314	R44-Q79 PolarHBondContact O-NE2 3.33Å; R44-A290 WeakPolarHBondContact CA-O 3.47Å; R44-D292 HydrophobicContact CG-CB 4.39Å; R44-D292 IonicContact CZ-OD2 3.96Å; R44-D292 IonicContact NE-OD2 2.93Å; R44-D292 PolarHBondContact NE-OD2 3.41Å; R44-D292 IonicContact NH1-OD2 2.78Å; R44-D292 IonicContact NH2-OD2 3.15Å; R44-D292 PolarHBondContact NH2-OD2 3.32Å; R44-V295 HydrophobicContact CB-CG2 4.5Å; R44-A310 VanDerWaalsContact CD-O 3.24Å; R44-A310 WeakPolarHBondContact CD-O 3.07Å; R44-A310 PolarHBondContact NH1-O 3.46Å; R44-P311 VanDerWaalsContact CD-O 3.28Å; R44-P311 WeakPolarHBondContact CD-O 3.33Å; R44-Y312 VanDerWaalsContact CZ-CD1 3.42Å; R44-Y312 VanDerWaalsContact CZ-CE1 3.44Å; R44-Y312 VanDerWaalsContact NH2-CE1 3.26Å; R44-A313 WeakPolarHBondContact O-CA 3.19Å; R44-A313 PolarHBondContact O-N 3.48Å; R44-S314 PolarHBondContact N-O 3.04Å
45	H	98.9	Very high	98	Very high	2 Å²	2	23 Å²	23	1%	0.009	12%	0.121	C	C	.	.			trans	-50.2	161	165.9	64	76.4	0	0	0	113.3	R48 R112 T113 S116 A290 H291 Y312 A313	H45-R48 PolarHBondContact CE1-NE 3.43Å; H45-R48 VanDerWaalsContact CE1-NE 3.33Å; H45-R112 HydrophobicContact CB-CB 4.49Å; H45-R112 HydrophobicContact CB-CG 4.41Å; H45-R112 WeakPolarHBondContact CB-O 3.41Å; H45-R112 WeakPolarHBondContact NE2-CD 3.45Å; H45-R112 PolarHBondContact NE2-NE 2.88Å; H45-T113 HydrophobicContact CB-CG2 3.98Å; H45-S116 VanDerWaalsContact CA-OG 3.29Å; H45-S116 WeakPolarHBondContact CA-OG 3.32Å; H45-S116 VanDerWaalsContact CB-OG 3.3Å; H45-S116 WeakPolarHBondContact CB-OG 3.25Å; H45-A290 PolarHBondContact N-O 2.89Å; H45-H291 AromaticContact CD2-ND1 3.82Å; H45-Y312 AromaticContact CE1-CE1 3.79Å; H45-A313 PolarHBondContact O-N 3.01Å
46	G	98.8	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.			trans	-70.8	-178.8	174.5	0	0	0	0	0	113.8	S116 Y312	G46-S116 PolarHBondContact N-OG 3.21Å; G46-S116 VanDerWaalsContact N-OG 3.07Å; G46-Y312 WeakPolarHBondContact O-CD1 3.35Å
47	D	98.8	Very high	98.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.109	C	C	.	.			trans	-49.3	141.4	171.6	178.3	-82.3	0	0	0	112.8	L71 S72 V74 G75 H219 Y312	D47-L71 WeakPolarHBondContact O-CD1 3.44Å; D47-S72 PolarHBondContact O-N 2.84Å; D47-S72 PolarHBondContact O-OG 3.01Å; D47-S72 WeakPolarHBondContact OD1-CB 3.44Å; D47-S72 PolarHBondContact OD1-OG 3.3Å; D47-V74 HydrophobicContact CB-CB 4.11Å; D47-V74 HydrophobicContact CB-CG1 3.99Å; D47-G75 WeakPolarHBondContact O-CA 3.34Å; D47-H219 IonicContact OD1-CD2 2.78Å; D47-H219 IonicContact OD1-CE1 3.36Å; D47-H219 PolarHBondContact OD1-CE1 2.79Å; D47-H219 IonicContact OD1-NE2 3.81Å; D47-H219 PolarHBondContact OD1-NE2 3.23Å; D47-H219 IonicContact OD2-NE2 3.17Å; D47-Y312 HydrophobicContact CB-CD2 3.79Å; D47-Y312 HydrophobicContact CB-CE2 4.06Å; D47-Y312 HydrophobicContact CB-CG 4.27Å
48	R	98.7	Very high	98.1	Very high	11 Å²	11	21.3 Å²	21.3	4%	0.042	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-146.4	166.2	-172.1	58.4	158.9	174.2	72.1	2.3	111.8	H45 Q70 D211 Y312	H45-R48 PolarHBondContact CE1-NE 3.43Å; H45-R48 VanDerWaalsContact CE1-NE 3.33Å; R48-Q70 CarbonylContact C-O 3.49Å; R48-Q70 WeakPolarHBondContact CA-O 3.39Å; R48-Q70 WeakPolarHBondContact CB-O 3.31Å; R48-D211 IonicContact CZ-OD1 3.6Å; R48-D211 IonicContact CZ-OD2 2.74Å; R48-D211 IonicContact NH1-OD1 2.61Å; R48-D211 PolarHBondContact NH1-OD1 2.81Å; R48-D211 IonicContact NH1-OD2 3.47Å; R48-D211 PolarHBondContact NH1-OD2 3.07Å; R48-D211 IonicContact NH2-OD1 3.91Å; R48-D211 PolarHBondContact NH2-OD1 2.95Å; R48-D211 IonicContact NH2-OD2 3.67Å; R48-D211 PolarHBondContact NH2-OD2 3.42Å; R48-Y312 HydrophobicContact CG-CE1 3.92Å
49	S	98.6	Very high	98.1	Very high	5 Å²	5	22.5 Å²	22.5	4%	0.035	13%	0.13	C	C	.	.			trans	-64.2	157.9	160.9	61.5	0	0	0	0	110.9	G67 G69 Q70	S49-G67 WeakPolarHBondContact CB-O 3.34Å; S49-G67 PolarHBondContact OG-O 3.33Å; S49-G69 PolarHBondContact OG-N 2.86Å; S49-Q70 PolarHBondContact N-O 2.95Å; S49-Q70 PolarHBondContact OG-N 3.2Å; S49-Q70 PolarHBondContact OG-O 3.34Å
50	P	98.1	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.			trans	-63.9	151	178.2	29.9	-35.8	0	0	0	109.9	K52 W64 F68 G69 C215	P50-K52 PolarHBondContact O-N 2.89Å; P50-W64 HydrophobicContact CG-CD2 4.49Å; P50-W64 HydrophobicContact CG-CZ2 3.76Å; P50-F68 HydrophobicContact CG-CD1 3.9Å; P50-F68 HydrophobicContact CG-CE1 3.93Å; P50-F68 CarbonylContact O-C 3.51Å; P50-F68 VanDerWaalsContact O-CA 3.31Å; P50-F68 WeakPolarHBondContact O-CA 3.45Å; P50-F68 VanDerWaalsContact O-CB 3.22Å; P50-F68 WeakPolarHBondContact O-CB 3.44Å; P50-F68 WeakPolarHBondContact O-CD1 3.34Å; P50-G69 PolarHBondContact O-N 2.85Å; P50-C215 HydrophobicContact CB-CB 3.98Å; P50-C215 HydrophobicContact CG-CB 4.27Å
51	V	97.3	Very high	98	Very high	48 Å²	48	30.7 Å²	30.7	29%	0.291	17%	0.168	S	C	.	.	S	Bend	trans	-74.8	-15.9	179.7	-66.2	0	0	0	0	113	W207 D211	V51-W207 HydrophobicContact CG2-CH2 4.2Å; V51-W207 HydrophobicContact CG2-CZ3 4.17Å; V51-D211 PolarHBondContact N-OD2 2.93Å
52	K	96.2	Very high	97.9	Very high	99 Å²	99	36.3 Å²	36.3	43%	0.43	21%	0.208	S	C	.	.			trans	-165	163.5	173.8	65.4	-174.7	109.2	177.6	0	109.2	P50 T212	P50-K52 PolarHBondContact O-N 2.89Å; K52-T212 PolarHBondContact O-OG1 3.01Å
53	A	96.6	Very high	97.8	Very high	19 Å²	19	38.4 Å²	38.4	16%	0.157	23%	0.225	C	C	.	.			trans	-105.3	157.4	164.4	0	0	0	0	0	110.8	D57 F68 T212	A53-D57 HydrophobicContact CB-CB 4.04Å; A53-D57 WeakPolarHBondContact CB-OD2 3.46Å; A53-F68 HydrophobicContact CB-CE1 4.22Å; A53-F68 HydrophobicContact CB-CE2 4.23Å; A53-F68 HydrophobicContact CB-CZ 3.49Å; A53-F68 VanDerWaalsContact CB-CZ 3.49Å; A53-T212 HydrophobicContact CB-CG2 4.46Å
54	F	97	Very high	97.8	Very high	5 Å²	5	39 Å²	39	2%	0.022	23%	0.227	C	C	.	.			trans	-83	156.7	167.5	51.3	-93.9	0	0	0	110.8	T56 D57 Q60 T196 L198 V209 T212 L213 W226	F54-T56 PolarHBondContact O-N 3.49Å; F54-D57 HydrophobicContact CD1-CB 4.31Å; F54-D57 HydrophobicContact CD2-CB 3.7Å; F54-D57 HydrophobicContact CE1-CB 4.15Å; F54-D57 VanDerWaalsContact CE2-CA 3.5Å; F54-D57 HydrophobicContact CE2-CB 3.54Å; F54-D57 HydrophobicContact CG-CB 4.09Å; F54-D57 HydrophobicContact CZ-CB 3.76Å; F54-D57 VanDerWaalsContact O-CB 3.23Å; F54-D57 WeakPolarHBondContact O-CB 3.45Å; F54-D57 PolarHBondContact O-N 2.87Å; F54-Q60 PolarHBondContact O-NE2 3.28Å; F54-T196 HydrophobicContact CB-CG2 4.27Å; F54-T196 HydrophobicContact CD1-CG2 4.23Å; F54-T196 HydrophobicContact CD2-CG2 3.78Å; F54-T196 HydrophobicContact CE2-CG2 4.16Å; F54-T196 HydrophobicContact CG-CG2 3.82Å; F54-L198 HydrophobicContact CB-CD2 4.43Å; F54-L198 HydrophobicContact CB-CG 4.5Å; F54-V209 HydrophobicContact CD1-CG1 4.12Å; F54-V209 HydrophobicContact CE1-CG1 4.11Å; F54-T212 HydrophobicContact CD1-CG2 3.89Å; F54-T212 HydrophobicContact CE1-CG2 3.71Å; F54-L213 HydrophobicContact CE1-CD2 4.01Å; F54-L213 HydrophobicContact CE1-CG 4.05Å; F54-L213 HydrophobicContact CZ-CD2 3.99Å; F54-L213 HydrophobicContact CZ-CG 4.48Å; F54-W226 HydrophobicContact CE2-CZ2 4.43Å; F54-W226 HydrophobicContact CZ-CZ2 4.21Å
55	P	97.6	Very high	97.7	Very high	85 Å²	85	44.1 Å²	44.1	55%	0.552	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.6	-168.7	-31.8	37	0	0	0	116.9	T196	P55-T196 VanDerWaalsContact CD-O 3.31Å; P55-T196 WeakPolarHBondContact CD-O 3.31Å
56	T	97.4	Very high	97.6	Very high	77 Å²	77	49.6 Å²	49.6	47%	0.472	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	3.5	-178.4	53.7	0	0	0	0	113.6	F54 K195 T196	F54-T56 PolarHBondContact O-N 3.49Å; T56-K195 PolarHBondContact OG1-O 3.43Å; T56-T196 PolarHBondContact N-O 3.48Å; T56-T196 VanDerWaalsContact N-O 3.16Å; T56-T196 WeakPolarHBondContact OG1-CA 3.35Å; T56-T196 PolarHBondContact OG1-O 2.93Å
57	D	97.8	Very high	97.6	Very high	5 Å²	5	50 Å²	50	3%	0.027	29%	0.291	C	S	.	.			trans	-64.3	127.9	175.9	174.8	28.8	0	0	0	110.1	A53 F54 H59 Q60	A53-D57 HydrophobicContact CB-CB 4.04Å; A53-D57 WeakPolarHBondContact CB-OD2 3.46Å; F54-D57 HydrophobicContact CD1-CB 4.31Å; F54-D57 HydrophobicContact CD2-CB 3.7Å; F54-D57 HydrophobicContact CE1-CB 4.15Å; F54-D57 VanDerWaalsContact CE2-CA 3.5Å; F54-D57 HydrophobicContact CE2-CB 3.54Å; F54-D57 HydrophobicContact CG-CB 4.09Å; F54-D57 HydrophobicContact CZ-CB 3.76Å; F54-D57 VanDerWaalsContact O-CB 3.23Å; F54-D57 WeakPolarHBondContact O-CB 3.45Å; F54-D57 PolarHBondContact O-N 2.87Å; D57-H59 PolarHBondContact O-N 3.35Å; D57-H59 IonicContact OD1-CD2 3.84Å; D57-H59 PolarHBondContact OD1-N 3.31Å; D57-H59 VanDerWaalsContact OD2-C 3.31Å; D57-H59 VanDerWaalsContact OD2-O 3.07Å; D57-Q60 PolarHBondContact O-NE2 2.99Å
58	P	96.5	Very high	97.6	Very high	81 Å²	81	51.9 Å²	51.9	53%	0.526	30%	0.299	S	S	.	.	S	Bend	trans	-63.7	-23.9	173.4	26.2	-36.1	0	0	0	113.4	Q60	P58-Q60 PolarHBondContact O-N 3.35Å
59	H	97.8	Very high	97.6	Very high	27 Å²	27	51.6 Å²	51.6	13%	0.125	30%	0.3	C	S	.	.			trans	-101.2	64.9	-171.2	-58	-52.8	0	0	0	113.1	D57 A63 E216 M221 S222	D57-H59 PolarHBondContact O-N 3.35Å; D57-H59 IonicContact OD1-CD2 3.84Å; D57-H59 PolarHBondContact OD1-N 3.31Å; D57-H59 VanDerWaalsContact OD2-C 3.31Å; D57-H59 VanDerWaalsContact OD2-O 3.07Å; H59-A63 HydrophobicContact CB-CB 4.21Å; H59-E216 HydrophobicContact CB-CG 4.41Å; H59-E216 IonicContact CD2-OE2 3.57Å; H59-M221 HydrophobicContact CB-CE 3.72Å; H59-M221 HydrophobicContact CB-SD 4.48Å; H59-M221 VanDerWaalsContact CG-CE 3.49Å; H59-M221 WeakPolarHBondContact ND1-CE 3.39Å; H59-S222 PolarHBondContact NE2-O 2.98Å; H59-S222 PolarHBondContact NE2-OG 3.46Å
60	Q	97.6	Very high	97.6	Very high	72 Å²	72	53.5 Å²	53.5	34%	0.336	31%	0.308	S	S	.	.			trans	-63.3	176.5	175.7	-61.1	-60.2	-38.7	0	0	112.9	F54 D57 P58 S62 A63	F54-Q60 PolarHBondContact O-NE2 3.28Å; D57-Q60 PolarHBondContact O-NE2 2.99Å; P58-Q60 PolarHBondContact O-N 3.35Å; Q60-S62 PolarHBondContact O-N 3.26Å; Q60-A63 VanDerWaalsContact O-CB 3.25Å; Q60-A63 WeakPolarHBondContact O-CB 3.37Å; Q60-A63 PolarHBondContact O-N 3.38Å
61	E	97.9	Very high	97.6	Very high	102 Å²	102	53.6 Å²	53.6	48%	0.477	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-52	-37	-171	-170.5	162.9	-145	0	0	114.2	A63 W64 F68	E61-A63 PolarHBondContact O-N 2.89Å; E61-W64 WeakPolarHBondContact O-CB 3.42Å; E61-W64 PolarHBondContact O-N 3.47Å; E61-F68 VanDerWaalsContact CA-CZ 3.43Å; E61-F68 HydrophobicContact CB-CD1 4.42Å; E61-F68 HydrophobicContact CB-CD2 3.75Å; E61-F68 HydrophobicContact CB-CE1 4.23Å; E61-F68 HydrophobicContact CB-CE2 3.53Å; E61-F68 HydrophobicContact CB-CG 4.21Å; E61-F68 HydrophobicContact CB-CZ 3.79Å; E61-F68 HydrophobicContact CG-CB 4.47Å; E61-F68 HydrophobicContact CG-CD1 4.39Å; E61-F68 HydrophobicContact CG-CD2 3.83Å; E61-F68 HydrophobicContact CG-CE2 4.16Å; E61-F68 HydrophobicContact CG-CG 3.96Å; E61-F68 PolarHBondContact OE1-N 3.44Å; E61-F68 VanDerWaalsContact OE1-N 3.09Å
62	S	97.7	Very high	97.7	Very high	119 Å²	119	51.9 Å²	51.9	83%	0.832	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.3	-17.8	178.8	55.6	0	0	0	0	114.5	Q60 W64	Q60-S62 PolarHBondContact O-N 3.26Å; S62-W64 PolarHBondContact O-N 3.12Å
63	A	97.8	Very high	97.8	Very high	44 Å²	44	52.4 Å²	52.4	36%	0.364	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-74.3	-15.3	173.3	0	0	0	0	0	112.3	H59 Q60 E61 M221	H59-A63 HydrophobicContact CB-CB 4.21Å; Q60-A63 VanDerWaalsContact O-CB 3.25Å; Q60-A63 WeakPolarHBondContact O-CB 3.37Å; Q60-A63 PolarHBondContact O-N 3.38Å; E61-A63 PolarHBondContact O-N 2.89Å; A63-M221 HydrophobicContact CB-CE 3.83Å
64	W	97.9	Very high	97.9	Very high	14 Å²	14	53.5 Å²	53.5	5%	0.053	31%	0.308	C	S	.	.	S	Bend	trans	-100.8	124.5	-179.3	-64.6	89.1	0	0	0	110.3	P50 E61 S62 Q66 G67 F68 C215 E216 H219 M221	P50-W64 HydrophobicContact CG-CD2 4.49Å; P50-W64 HydrophobicContact CG-CZ2 3.76Å; E61-W64 WeakPolarHBondContact O-CB 3.42Å; E61-W64 PolarHBondContact O-N 3.47Å; S62-W64 PolarHBondContact O-N 3.12Å; W64-Q66 PolarHBondContact O-N 3.4Å; W64-G67 WeakPolarHBondContact CB-O 3.32Å; W64-G67 PolarHBondContact O-N 3.15Å; W64-F68 AromaticContact CD1-CD1 3.94Å; W64-F68 AromaticContact CD1-CE1 3.63Å; W64-F68 HydrophobicContact CG-CD1 4.49Å; W64-F68 AromaticContact NE1-CE1 3.91Å; W64-C215 HydrophobicContact CH2-CB 3.99Å; W64-C215 HydrophobicContact CZ2-CB 4.36Å; W64-E216 HydrophobicContact CZ2-CG 3.99Å; W64-H219 HydrophobicContact CH2-CB 4.14Å; W64-H219 AromaticContact CH2-CD2 3.85Å; W64-H219 HydrophobicContact CZ3-CB 4.2Å; W64-H219 AromaticContact CZ3-CD2 3.66Å; W64-H219 AromaticContact CZ3-CG 3.73Å; W64-M221 HydrophobicContact CH2-SD 3.76Å; W64-M221 HydrophobicContact CZ2-SD 3.43Å; W64-M221 WeakPolarHBondContact CZ2-SD 3.13Å; W64-M221 HydrophobicContact CZ3-SD 4.48Å
65	P	96.8	Very high	97.9	Very high	110 Å²	110	53.3 Å²	53.3	71%	0.714	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.8	-172.8	-32.1	38.3	0	0	0	116.1
66	Q	97.4	Very high	98	Very high	117 Å²	117	51.8 Å²	51.8	55%	0.547	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	8.9	177.7	-70.5	73.2	68.9	0	0	112.2	W64 Q70	W64-Q66 PolarHBondContact O-N 3.4Å; Q66-Q70 HydrophobicContact CB-CB 3.69Å; Q66-Q70 HydrophobicContact CB-CG 3.86Å; Q66-Q70 WeakPolarHBondContact O-CG 3.46Å
67	G	98.3	Very high	98.1	Very high	10 Å²	10	55.2 Å²	55.2	10%	0.103	30%	0.297	C	S	.	.			trans	74.9	-162.7	-170.6	0	0	0	0	0	113.5	S49 W64	S49-G67 WeakPolarHBondContact CB-O 3.34Å; S49-G67 PolarHBondContact OG-O 3.33Å; W64-G67 WeakPolarHBondContact CB-O 3.32Å; W64-G67 PolarHBondContact O-N 3.15Å
68	F	98.6	Very high	98.1	Very high	39 Å²	39	57.2 Å²	57.2	17%	0.171	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	150	-171.8	-71.3	-35.6	0	0	0	114.2	P50 A53 E61 W64 Q70	P50-F68 HydrophobicContact CG-CD1 3.9Å; P50-F68 HydrophobicContact CG-CE1 3.93Å; P50-F68 CarbonylContact O-C 3.51Å; P50-F68 VanDerWaalsContact O-CA 3.31Å; P50-F68 WeakPolarHBondContact O-CA 3.45Å; P50-F68 VanDerWaalsContact O-CB 3.22Å; P50-F68 WeakPolarHBondContact O-CB 3.44Å; P50-F68 WeakPolarHBondContact O-CD1 3.34Å; A53-F68 HydrophobicContact CB-CE1 4.22Å; A53-F68 HydrophobicContact CB-CE2 4.23Å; A53-F68 HydrophobicContact CB-CZ 3.49Å; A53-F68 VanDerWaalsContact CB-CZ 3.49Å; E61-F68 VanDerWaalsContact CA-CZ 3.43Å; E61-F68 HydrophobicContact CB-CD1 4.42Å; E61-F68 HydrophobicContact CB-CD2 3.75Å; E61-F68 HydrophobicContact CB-CE1 4.23Å; E61-F68 HydrophobicContact CB-CE2 3.53Å; E61-F68 HydrophobicContact CB-CG 4.21Å; E61-F68 HydrophobicContact CB-CZ 3.79Å; E61-F68 HydrophobicContact CG-CB 4.47Å; E61-F68 HydrophobicContact CG-CD1 4.39Å; E61-F68 HydrophobicContact CG-CD2 3.83Å; E61-F68 HydrophobicContact CG-CE2 4.16Å; E61-F68 HydrophobicContact CG-CG 3.96Å; E61-F68 PolarHBondContact OE1-N 3.44Å; E61-F68 VanDerWaalsContact OE1-N 3.09Å; W64-F68 AromaticContact CD1-CD1 3.94Å; W64-F68 AromaticContact CD1-CE1 3.63Å; W64-F68 HydrophobicContact CG-CD1 4.49Å; W64-F68 AromaticContact NE1-CE1 3.91Å; F68-Q70 PolarHBondContact O-N 3.34Å
69	G	98.2	Very high	98.2	Very high	6 Å²	6	53.3 Å²	53.3	6%	0.062	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	12.2	173.8	0	0	0	0	0	115.8	S49 P50 R112	S49-G69 PolarHBondContact OG-N 2.86Å; P50-G69 PolarHBondContact O-N 2.85Å; G69-R112 WeakPolarHBondContact O-CD 3.33Å; G69-R112 PolarHBondContact O-NH1 2.86Å; G69-R112 VanDerWaalsContact O-NH1 3.13Å
70	Q	98.8	Very high	98.3	Very high	44 Å²	44	56.5 Å²	56.5	21%	0.206	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-95.4	143.4	-174.2	-70.4	-61.2	-25.3	0	0	112.5	R48 S49 Q66 F68 S72 D111	R48-Q70 CarbonylContact C-O 3.49Å; R48-Q70 WeakPolarHBondContact CA-O 3.39Å; R48-Q70 WeakPolarHBondContact CB-O 3.31Å; S49-Q70 PolarHBondContact N-O 2.95Å; S49-Q70 PolarHBondContact OG-N 3.2Å; S49-Q70 PolarHBondContact OG-O 3.34Å; Q66-Q70 HydrophobicContact CB-CB 3.69Å; Q66-Q70 HydrophobicContact CB-CG 3.86Å; Q66-Q70 WeakPolarHBondContact O-CG 3.46Å; F68-Q70 PolarHBondContact O-N 3.34Å; Q70-S72 PolarHBondContact O-N 3.45Å; Q70-D111 PolarHBondContact NE2-OD2 2.94Å
71	L	98.8	Very high	98.3	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-66.3	129.9	-179.7	-168.5	73.3	0	0	0	110.3	D47 M76 R112 M115 S116	D47-L71 WeakPolarHBondContact O-CD1 3.44Å; L71-M76 HydrophobicContact CD2-CG 3.77Å; L71-M76 HydrophobicContact CG-CG 4.32Å; L71-R112 HydrophobicContact CB-CB 4.11Å; L71-R112 HydrophobicContact CD1-CB 4.48Å; L71-M115 HydrophobicContact CB-CE 4.28Å; L71-M115 HydrophobicContact CB-SD 4.43Å; L71-M115 HydrophobicContact CD2-CB 3.67Å; L71-S116 WeakPolarHBondContact CD1-OG 3.44Å
72	S	98.6	Very high	98.4	Very high	12 Å²	12	51 Å²	51	8%	0.084	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-85.6	168.3	179	85.5	0	0	0	0	111.6	D47 Q70 V74 G75 M76	D47-S72 PolarHBondContact O-N 2.84Å; D47-S72 PolarHBondContact O-OG 3.01Å; D47-S72 WeakPolarHBondContact OD1-CB 3.44Å; D47-S72 PolarHBondContact OD1-OG 3.3Å; Q70-S72 PolarHBondContact O-N 3.45Å; S72-V74 PolarHBondContact O-N 3.34Å; S72-V74 WeakPolarHBondContact OG-CB 3.3Å; S72-V74 PolarHBondContact OG-N 2.88Å; S72-V74 VanDerWaalsContact OG-N 3.07Å; S72-G75 WeakPolarHBondContact O-CA 3.48Å; S72-G75 PolarHBondContact O-N 2.9Å; S72-G75 PolarHBondContact OG-N 2.63Å; S72-G75 VanDerWaalsContact OG-N 3.07Å; S72-M76 WeakPolarHBondContact O-CG 3.3Å; S72-M76 PolarHBondContact O-N 3.39Å
73	Q	98.3	Very high	98.4	Very high	110 Å²	110	45.3 Å²	45.3	51%	0.514	23%	0.227	S	C	.	.	H	α-helix	trans	-60.1	-31.3	169.9	-63.3	-62.4	-27.7	0	0	112.4	M76 R77	Q73-M76 PolarHBondContact OE1-SD 3.36Å; Q73-R77 WeakPolarHBondContact O-CG 3.39Å; Q73-R77 VanDerWaalsContact O-CZ 3.27Å; Q73-R77 PolarHBondContact O-N 3.35Å; Q73-R77 PolarHBondContact O-NH1 3.11Å
74	V	98.4	Very high	98.5	Very high	43 Å²	43	47.5 Å²	47.5	26%	0.261	23%	0.23	S	C	.	.	H	α-helix	trans	-66.3	-42.8	172.9	-180	0	0	0	0	109.6	D47 S72 R77 Q78	D47-V74 HydrophobicContact CB-CB 4.11Å; D47-V74 HydrophobicContact CB-CG1 3.99Å; S72-V74 PolarHBondContact O-N 3.34Å; S72-V74 WeakPolarHBondContact OG-CB 3.3Å; S72-V74 PolarHBondContact OG-N 2.88Å; S72-V74 VanDerWaalsContact OG-N 3.07Å; V74-R77 PolarHBondContact O-N 2.99Å; V74-Q78 HydrophobicContact CG1-CG 4.48Å; V74-Q78 WeakPolarHBondContact O-CG 3.29Å; V74-Q78 PolarHBondContact O-N 2.83Å
75	G	98.8	Very high	98.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.2	-40.6	178.5	0	0	0	0	0	113.4	D47 S72 R77 Q78 Q79	D47-G75 WeakPolarHBondContact O-CA 3.34Å; S72-G75 WeakPolarHBondContact O-CA 3.48Å; S72-G75 PolarHBondContact O-N 2.9Å; S72-G75 PolarHBondContact OG-N 2.63Å; S72-G75 VanDerWaalsContact OG-N 3.07Å; G75-R77 VanDerWaalsContact C-N 3.35Å; G75-R77 PolarHBondContact O-N 3.31Å; G75-Q78 PolarHBondContact O-N 2.86Å; G75-Q79 PolarHBondContact O-N 3.23Å
76	M	98.9	Very high	98.6	Very high	53 Å²	53	43.1 Å²	43.1	26%	0.261	20%	0.199	S	C	.	.	H	α-helix	trans	-58.3	-46.3	172.6	-65.6	171.6	-173.4	0	0	111.3	L71 S72 Q73 Q79 Y80 M115	L71-M76 HydrophobicContact CD2-CG 3.77Å; L71-M76 HydrophobicContact CG-CG 4.32Å; S72-M76 WeakPolarHBondContact O-CG 3.3Å; S72-M76 PolarHBondContact O-N 3.39Å; Q73-M76 PolarHBondContact OE1-SD 3.36Å; M76-Q79 PolarHBondContact O-N 2.9Å; M76-Y80 WeakPolarHBondContact O-CB 3.16Å; M76-Y80 PolarHBondContact O-N 2.89Å; M76-M115 HydrophobicContact CE-CE 3.4Å; M76-M115 VanDerWaalsContact CE-CE 3.4Å
77	R	98.8	Very high	98.7	Very high	149 Å²	149	39.8 Å²	39.8	56%	0.562	18%	0.182	S	C	*	.	H	α-helix	trans	-64	-41	177.6	-74.4	-174.1	-68.1	-86.3	4.4	112.8	Q73 V74 G75 Q79 Y80 E81	Q73-R77 WeakPolarHBondContact O-CG 3.39Å; Q73-R77 VanDerWaalsContact O-CZ 3.27Å; Q73-R77 PolarHBondContact O-N 3.35Å; Q73-R77 PolarHBondContact O-NH1 3.11Å; V74-R77 PolarHBondContact O-N 2.99Å; G75-R77 VanDerWaalsContact C-N 3.35Å; G75-R77 PolarHBondContact O-N 3.31Å; R77-Q79 VanDerWaalsContact C-N 3.32Å; R77-Q79 PolarHBondContact O-N 3.03Å; R77-Y80 PolarHBondContact O-N 3.43Å; R77-E81 WeakPolarHBondContact O-CB 3.26Å; R77-E81 PolarHBondContact O-N 3.46Å
78	Q	98.9	Very high	98.7	Very high	47 Å²	47	44 Å²	44	22%	0.22	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-41.8	176.4	-73.6	171	-17.9	0	0	111.9	V74 G75 E81 L82 A313	V74-Q78 HydrophobicContact CG1-CG 4.48Å; V74-Q78 WeakPolarHBondContact O-CG 3.29Å; V74-Q78 PolarHBondContact O-N 2.83Å; G75-Q78 PolarHBondContact O-N 2.86Å; Q78-E81 PolarHBondContact O-N 3.48Å; Q78-L82 PolarHBondContact O-N 3.41Å; Q78-A313 HydrophobicContact CB-CB 3.8Å
79	Q	98.9	Very high	98.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-72.8	-39.4	178.6	-72.7	-67.6	-16.5	0	0	112.5	R44 G75 M76 R77 E81 L82 G83 S116 A119 N120	R44-Q79 PolarHBondContact O-NE2 3.33Å; G75-Q79 PolarHBondContact O-N 3.23Å; M76-Q79 PolarHBondContact O-N 2.9Å; R77-Q79 VanDerWaalsContact C-N 3.32Å; R77-Q79 PolarHBondContact O-N 3.03Å; Q79-E81 VanDerWaalsContact C-N 3.31Å; Q79-E81 PolarHBondContact O-N 3.01Å; Q79-L82 PolarHBondContact O-N 3.12Å; Q79-G83 PolarHBondContact O-N 3.26Å; Q79-S116 WeakPolarHBondContact CB-O 3.35Å; Q79-A119 HydrophobicContact CB-CB 3.88Å; Q79-N120 HydrophobicContact CB-CB 4.32Å; Q79-N120 VanDerWaalsContact O-CA 3.26Å; Q79-N120 WeakPolarHBondContact O-CA 3.47Å; Q79-N120 PolarHBondContact OE1-ND2 3.15Å; Q79-N120 VanDerWaalsContact OE1-ND2 3.12Å
80	Y	98.9	Very high	98.7	Very high	93 Å²	93	45.2 Å²	45.2	37%	0.365	21%	0.207	S	C	.	.	H	α-helix	trans	-57.5	-45.6	171.9	-174.5	-98	0	0	0	111.6	M76 R77 G83 Q84 A119 A122 G123	M76-Y80 WeakPolarHBondContact O-CB 3.16Å; M76-Y80 PolarHBondContact O-N 2.89Å; R77-Y80 PolarHBondContact O-N 3.43Å; Y80-G83 PolarHBondContact O-N 3.41Å; Y80-Q84 HydrophobicContact CD1-CG 4.34Å; Y80-Q84 VanDerWaalsContact CE1-CD 3.47Å; Y80-Q84 HydrophobicContact CE1-CG 4.06Å; Y80-Q84 WeakPolarHBondContact O-CG 3.4Å; Y80-Q84 PolarHBondContact O-N 2.9Å; Y80-A119 WeakPolarHBondContact CA-O 3.33Å; Y80-A122 HydrophobicContact CD2-CB 4.04Å; Y80-A122 VanDerWaalsContact CE2-C 3.48Å; Y80-A122 HydrophobicContact CE2-CB 4.11Å; Y80-A122 WeakPolarHBondContact CE2-O 3.46Å; Y80-G123 VanDerWaalsContact CE2-CA 3.5Å
81	E	98.8	Very high	98.6	Very high	59 Å²	59	49 Å²	49	28%	0.276	22%	0.223	S	C	.	.	H	α-helix	trans	-60.2	-46.5	174.1	-175.3	-76.8	145.7	0	0	111.8	R77 Q78 Q79 G83 Q84 Y85 R335	R77-E81 WeakPolarHBondContact O-CB 3.26Å; R77-E81 PolarHBondContact O-N 3.46Å; Q78-E81 PolarHBondContact O-N 3.48Å; Q79-E81 VanDerWaalsContact C-N 3.31Å; Q79-E81 PolarHBondContact O-N 3.01Å; E81-G83 PolarHBondContact O-N 3.43Å; E81-Q84 WeakPolarHBondContact O-CB 3.24Å; E81-Q84 PolarHBondContact O-N 3.47Å; E81-Q84 VanDerWaalsContact O-N 3.09Å; E81-Y85 PolarHBondContact O-N 2.88Å; E81-R335 IonicContact OE1-CZ 2.91Å; E81-R335 IonicContact OE1-NH1 2.95Å; E81-R335 IonicContact OE1-NH2 3.59Å; E81-R335 PolarHBondContact OE1-NH2 3.11Å; E81-R335 IonicContact OE2-CZ 2.86Å; E81-R335 IonicContact OE2-NH1 2.72Å; E81-R335 PolarHBondContact OE2-NH1 2.76Å; E81-R335 IonicContact OE2-NH2 3.45Å; E81-R335 PolarHBondContact OE2-NH2 2.95Å
82	L	98.9	Very high	98.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.3	-39.9	175.2	178.3	62.3	0	0	0	111.4	F43 Q78 Q79 Y85 L86 N120 C315	F43-L82 HydrophobicContact CB-CD2 3.84Å; F43-L82 HydrophobicContact CD1-CD2 4.45Å; F43-L82 HydrophobicContact CD2-CD2 4.5Å; F43-L82 HydrophobicContact CG-CD2 4.03Å; Q78-L82 PolarHBondContact O-N 3.41Å; Q79-L82 PolarHBondContact O-N 3.12Å; L82-Y85 HydrophobicContact CD1-CD1 4.23Å; L82-Y85 WeakPolarHBondContact O-CB 3.39Å; L82-Y85 PolarHBondContact O-N 3.15Å; L82-L86 HydrophobicContact CD1-CG 4.41Å; L82-L86 HydrophobicContact CG-CD1 4.4Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.48Å; L82-L86 PolarHBondContact O-N 3.19Å; L82-N120 WeakPolarHBondContact CD2-ND2 3.31Å; L82-N120 WeakPolarHBondContact CG-ND2 3.47Å; L82-C315 HydrophobicContact CD1-CB 3.9Å; L82-C315 HydrophobicContact CD2-CB 4.04Å
83	G	98.9	Very high	98.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-43.3	174	0	0	0	0	0	113.2	Q79 Y80 E81 Y85 L86 R87 N120	Q79-G83 PolarHBondContact O-N 3.26Å; Y80-G83 PolarHBondContact O-N 3.41Å; E81-G83 PolarHBondContact O-N 3.43Å; G83-Y85 VanDerWaalsContact C-N 3.35Å; G83-L86 PolarHBondContact O-N 2.84Å; G83-R87 WeakPolarHBondContact O-CB 3.19Å; G83-R87 PolarHBondContact O-N 3.2Å; G83-N120 WeakPolarHBondContact CA-O 3.27Å; G83-N120 VanDerWaalsContact CA-OD1 3.23Å; G83-N120 WeakPolarHBondContact CA-OD1 3.43Å
84	Q	98.8	Very high	98.4	Very high	89 Å²	89	51.6 Å²	51.6	42%	0.416	24%	0.238	S	C	.	.	H	α-helix	trans	-65	-38.4	175	-67.6	-179.3	-51.5	0	0	112.2	Y80 E81 R87 T88	Y80-Q84 HydrophobicContact CD1-CG 4.34Å; Y80-Q84 VanDerWaalsContact CE1-CD 3.47Å; Y80-Q84 HydrophobicContact CE1-CG 4.06Å; Y80-Q84 WeakPolarHBondContact O-CG 3.4Å; Y80-Q84 PolarHBondContact O-N 2.9Å; E81-Q84 WeakPolarHBondContact O-CB 3.24Å; E81-Q84 PolarHBondContact O-N 3.47Å; E81-Q84 VanDerWaalsContact O-N 3.09Å; Q84-R87 WeakPolarHBondContact O-CB 3.4Å; Q84-R87 PolarHBondContact O-N 2.65Å; Q84-T88 PolarHBondContact O-N 3.03Å; Q84-T88 PolarHBondContact O-OG1 3.13Å
85	Y	98.8	Very high	98.3	Very high	32 Å²	32	52.8 Å²	52.8	13%	0.125	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-49.8	172.8	168.5	-94.4	0	0	0	110.9	E81 L82 G83 R87 T88 R89 I317 P342	E81-Y85 PolarHBondContact O-N 2.88Å; L82-Y85 HydrophobicContact CD1-CD1 4.23Å; L82-Y85 WeakPolarHBondContact O-CB 3.39Å; L82-Y85 PolarHBondContact O-N 3.15Å; G83-Y85 VanDerWaalsContact C-N 3.35Å; Y85-R87 VanDerWaalsContact C-N 3.27Å; Y85-R87 PolarHBondContact O-N 2.98Å; Y85-T88 WeakPolarHBondContact O-CB 3.36Å; Y85-T88 PolarHBondContact O-N 3.17Å; Y85-T88 VanDerWaalsContact O-N 3.08Å; Y85-R89 HydrophobicContact CE1-CB 4.38Å; Y85-R89 WeakPolarHBondContact O-CB 3.38Å; Y85-R89 PolarHBondContact O-N 3.31Å; Y85-R89 WeakPolarHBondContact OH-CD 3.45Å; Y85-R89 PolarHBondContact OH-NH1 3.44Å; Y85-R89 VanDerWaalsContact OH-NH1 3.13Å; Y85-I317 HydrophobicContact CE1-CD1 4.21Å; Y85-P342 HydrophobicContact CE1-CG 4.21Å; Y85-P342 HydrophobicContact CE2-CG 4.39Å; Y85-P342 VanDerWaalsContact OH-CD 3.31Å; Y85-P342 WeakPolarHBondContact OH-CD 3.45Å; Y85-P342 WeakPolarHBondContact OH-CG 3.4Å
86	L	98.8	Very high	98.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-37.1	177.7	-67	176.6	0	0	0	111.7	V41 L82 G83 T88 R89 Y90 L124 M287	V41-L86 HydrophobicContact CG1-CD2 4.14Å; V41-L86 HydrophobicContact CG2-CD1 4.29Å; L82-L86 HydrophobicContact CD1-CG 4.41Å; L82-L86 HydrophobicContact CG-CD1 4.4Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.48Å; L82-L86 PolarHBondContact O-N 3.19Å; G83-L86 PolarHBondContact O-N 2.84Å; L86-T88 VanDerWaalsContact C-N 3.31Å; L86-T88 PolarHBondContact O-N 3.46Å; L86-R89 PolarHBondContact O-N 2.7Å; L86-Y90 HydrophobicContact CB-CD2 4.39Å; L86-Y90 HydrophobicContact CD2-CE2 3.9Å; L86-Y90 WeakPolarHBondContact O-CB 3.1Å; L86-Y90 VanDerWaalsContact O-CD2 3.32Å; L86-Y90 WeakPolarHBondContact O-CD2 3.35Å; L86-Y90 PolarHBondContact O-N 3.4Å; L86-L124 HydrophobicContact CB-CD1 4.05Å; L86-M287 HydrophobicContact CD1-CE 4.22Å
87	R	98.4	Very high	98	Very high	47 Å²	47	56.7 Å²	56.7	18%	0.177	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-42.9	173.4	178	55.6	-176	175.7	25.2	112	G83 Q84 Y85 K91 N95 L124	G83-R87 WeakPolarHBondContact O-CB 3.19Å; G83-R87 PolarHBondContact O-N 3.2Å; Q84-R87 WeakPolarHBondContact O-CB 3.4Å; Q84-R87 PolarHBondContact O-N 2.65Å; Y85-R87 VanDerWaalsContact C-N 3.27Å; Y85-R87 PolarHBondContact O-N 2.98Å; R87-K91 WeakPolarHBondContact O-CA 3.48Å; R87-K91 WeakPolarHBondContact O-CB 3.04Å; R87-K91 PolarHBondContact O-N 3.26Å; R87-K91 VanDerWaalsContact O-N 3.12Å; R87-N95 PolarHBondContact NH1-O 3.06Å; R87-L124 HydrophobicContact CB-CD1 3.89Å; R87-L124 WeakPolarHBondContact CD-O 3.43Å
88	T	98.3	Very high	98	Very high	98 Å²	98	51.2 Å²	51.2	60%	0.601	24%	0.244	S	C	*	.	H	α-helix	trans	-69.4	-46.5	179	-57.3	0	0	0	0	110.8	Q84 Y85 L86 Y90 K91	Q84-T88 PolarHBondContact O-N 3.03Å; Q84-T88 PolarHBondContact O-OG1 3.13Å; Y85-T88 WeakPolarHBondContact O-CB 3.36Å; Y85-T88 PolarHBondContact O-N 3.17Å; Y85-T88 VanDerWaalsContact O-N 3.08Å; L86-T88 VanDerWaalsContact C-N 3.31Å; L86-T88 PolarHBondContact O-N 3.46Å; T88-Y90 VanDerWaalsContact C-N 3.31Å; T88-Y90 PolarHBondContact O-N 3.41Å; T88-K91 PolarHBondContact O-N 3.03Å
89	R	98.1	Very high	97.9	Very high	69 Å²	69	51.6 Å²	51.6	26%	0.26	25%	0.247	S	C	.	.	H	α-helix	trans	-59	-40.9	178.9	-175.6	179.2	-173.6	75.2	5.4	112.5	Y85 L86 E319	Y85-R89 HydrophobicContact CE1-CB 4.38Å; Y85-R89 WeakPolarHBondContact O-CB 3.38Å; Y85-R89 PolarHBondContact O-N 3.31Å; Y85-R89 WeakPolarHBondContact OH-CD 3.45Å; Y85-R89 PolarHBondContact OH-NH1 3.44Å; Y85-R89 VanDerWaalsContact OH-NH1 3.13Å; L86-R89 PolarHBondContact O-N 2.7Å; R89-E319 IonicContact CZ-OE1 3.31Å; R89-E319 IonicContact CZ-OE2 2.69Å; R89-E319 IonicContact NE-OE1 3.03Å; R89-E319 PolarHBondContact NE-OE1 3.49Å; R89-E319 IonicContact NH2-OE1 2.71Å; R89-E319 PolarHBondContact NH2-OE1 3.29Å; R89-E319 IonicContact NH2-OE2 2.7Å; R89-E319 PolarHBondContact NH2-OE2 2.93Å
90	Y	98.6	Very high	97.7	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.008	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	22.2	-174.5	-58.2	-51.9	0	0	0	113.8	L36 A39 V41 L86 T88 D92 F93 L94 L285 I317 E319	L36-Y90 HydrophobicContact CD2-CD1 3.67Å; L36-Y90 HydrophobicContact CD2-CE1 3.7Å; A39-Y90 HydrophobicContact CB-CE1 4.23Å; V41-Y90 HydrophobicContact CG1-CE2 4.34Å; L86-Y90 HydrophobicContact CB-CD2 4.39Å; L86-Y90 HydrophobicContact CD2-CE2 3.9Å; L86-Y90 WeakPolarHBondContact O-CB 3.1Å; L86-Y90 VanDerWaalsContact O-CD2 3.32Å; L86-Y90 WeakPolarHBondContact O-CD2 3.35Å; L86-Y90 PolarHBondContact O-N 3.4Å; T88-Y90 VanDerWaalsContact C-N 3.31Å; T88-Y90 PolarHBondContact O-N 3.41Å; Y90-D92 PolarHBondContact O-N 2.97Å; Y90-F93 AromaticContact CD1-CD1 3.98Å; Y90-F93 HydrophobicContact CD1-CD1 3.98Å; Y90-F93 HydrophobicContact CG-CD1 4.29Å; Y90-F93 PolarHBondContact O-N 3.04Å; Y90-L94 HydrophobicContact CD2-CD1 4.2Å; Y90-L94 HydrophobicContact CG-CD1 4.32Å; Y90-L94 PolarHBondContact O-N 2.85Å; Y90-L285 HydrophobicContact CE2-CD1 4.19Å; Y90-I317 VanDerWaalsContact OH-CG2 3.29Å; Y90-I317 WeakPolarHBondContact OH-CG2 3.33Å; Y90-E319 HydrophobicContact CE1-CG 4.47Å; Y90-E319 VanDerWaalsContact CE1-OE1 3.26Å; Y90-E319 WeakPolarHBondContact CE1-OE1 3.37Å; Y90-E319 PolarHBondContact OH-OE1 3.17Å
91	K	97.3	Very high	97.6	Very high	125 Å²	125	59.8 Å²	59.8	54%	0.543	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-36	-176	72	-177.1	-173	178	0	113.7	R87 T88	R87-K91 WeakPolarHBondContact O-CA 3.48Å; R87-K91 WeakPolarHBondContact O-CB 3.04Å; R87-K91 PolarHBondContact O-N 3.26Å; R87-K91 VanDerWaalsContact O-N 3.12Å; T88-K91 PolarHBondContact O-N 3.03Å
92	D	96.1	Very high	97.5	Very high	146 Å²	146	57.9 Å²	57.9	78%	0.781	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-3	-178.4	-56	-47.6	0	0	0	112	Y90	Y90-D92 PolarHBondContact O-N 2.97Å
93	F	97.4	Very high	97.5	Very high	25 Å²	25	58.3 Å²	58.3	11%	0.11	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-47	-176.8	177.5	-123.8	0	0	0	112.3	L36 Y90 K284	L36-F93 HydrophobicContact CB-CD2 4.21Å; L36-F93 HydrophobicContact CB-CE2 4.48Å; L36-F93 HydrophobicContact CD2-CB 4.02Å; L36-F93 HydrophobicContact CD2-CD1 3.54Å; L36-F93 HydrophobicContact CD2-CD2 4.06Å; L36-F93 HydrophobicContact CD2-CE1 3.95Å; L36-F93 HydrophobicContact CD2-CE2 4.44Å; L36-F93 HydrophobicContact CD2-CG 3.6Å; L36-F93 HydrophobicContact CD2-CZ 4.39Å; L36-F93 HydrophobicContact CG-CD1 4.09Å; L36-F93 HydrophobicContact CG-CD2 3.93Å; L36-F93 HydrophobicContact CG-CE1 4.11Å; L36-F93 HydrophobicContact CG-CE2 3.97Å; L36-F93 HydrophobicContact CG-CG 4.01Å; L36-F93 HydrophobicContact CG-CZ 4.06Å; L36-F93 WeakPolarHBondContact O-CD2 3.46Å; L36-F93 WeakPolarHBondContact O-CE2 3.13Å; Y90-F93 AromaticContact CD1-CD1 3.98Å; Y90-F93 HydrophobicContact CD1-CD1 3.98Å; Y90-F93 HydrophobicContact CG-CD1 4.29Å; Y90-F93 PolarHBondContact O-N 3.04Å; F93-K284 HydrophobicContact CD2-CD 4.41Å; F93-K284 HydrophobicContact CE1-CB 3.69Å; F93-K284 HydrophobicContact CE1-CG 4.35Å; F93-K284 WeakPolarHBondContact CE1-O 3.37Å; F93-K284 HydrophobicContact CE2-CB 4.17Å; F93-K284 HydrophobicContact CE2-CD 4.07Å; F93-K284 HydrophobicContact CE2-CG 3.94Å; F93-K284 HydrophobicContact CZ-CB 3.46Å; F93-K284 VanDerWaalsContact CZ-CB 3.46Å; F93-K284 HydrophobicContact CZ-CD 4.18Å; F93-K284 HydrophobicContact CZ-CG 3.72Å; F93-K284 VanDerWaalsContact O-CD 3.31Å; F93-K284 WeakPolarHBondContact O-CD 3.48Å; F93-K284 WeakPolarHBondContact O-CE 3.09Å; F93-K284 PolarHBondContact O-NZ 3.28Å
94	L	97.8	Very high	97.5	Very high	7 Å²	7	61.6 Å²	61.6	4%	0.037	29%	0.292	C	S	.	.	S	Bend	trans	-94.5	144.9	178.7	-63.4	175.3	0	0	0	110.9	Y90 L124 K284 L285	Y90-L94 HydrophobicContact CD2-CD1 4.2Å; Y90-L94 HydrophobicContact CG-CD1 4.32Å; Y90-L94 PolarHBondContact O-N 2.85Å; L94-L124 HydrophobicContact CD1-CD1 4.46Å; L94-K284 HydrophobicContact CD2-CB 3.75Å; L94-K284 HydrophobicContact CD2-CD 4.19Å; L94-L285 HydrophobicContact CD1-CB 4.43Å; L94-L285 HydrophobicContact CD1-CD2 3.78Å; L94-L285 HydrophobicContact CD2-CB 4.04Å
95	N	96.6	Very high	97.5	Very high	67 Å²	67	57.5 Å²	57.5	36%	0.358	27%	0.273	S	S	.	.			trans	-60	153.5	174.2	-164.3	-77.8	0	0	0	111.5	R87 S97 I99 E102	R87-N95 PolarHBondContact NH1-O 3.06Å; N95-S97 WeakPolarHBondContact CB-O 3.23Å; N95-S97 PolarHBondContact OD1-N 3.34Å; N95-S97 PolarHBondContact OD1-O 2.77Å; N95-I99 HydrophobicContact CB-CD1 3.59Å; N95-I99 HydrophobicContact CB-CG1 4.1Å; N95-E102 VanDerWaalsContact CB-OE2 3.31Å; N95-E102 WeakPolarHBondContact CB-OE2 3.18Å; N95-E102 PolarHBondContact N-OE2 2.65Å
96	E	95.1	Very high	97.5	Very high	99 Å²	99	57.9 Å²	57.9	46%	0.463	27%	0.274	S	S	.	.	S	Bend	trans	-66.5	-38.6	174.8	-178	166.1	-123.7	0	0	114.3	K128	E96-K128 VanDerWaalsContact CD-NZ 3.33Å; E96-K128 HydrophobicContact CG-CD 3.88Å; E96-K128 IonicContact OE1-NZ 2.81Å; E96-K128 PolarHBondContact OE1-NZ 2.92Å; E96-K128 IonicContact OE2-NZ 3.33Å
97	S	96.2	Very high	97.5	Very high	37 Å²	37	57.9 Å²	57.9	26%	0.259	27%	0.274	S	S	.	.	S	Bend	trans	-87.7	151.3	170.2	-62.8	0	0	0	0	110.1	N95 I99	N95-S97 WeakPolarHBondContact CB-O 3.23Å; N95-S97 PolarHBondContact OD1-N 3.34Å; N95-S97 PolarHBondContact OD1-O 2.77Å; S97-I99 PolarHBondContact O-N 3.14Å
98	Y	97.7	Very high	97.5	Very high	33 Å²	33	55.8 Å²	55.8	13%	0.129	27%	0.266	C	S	.	.			trans	-65	124.7	173.2	163.2	-107.1	0	0	0	110	R100 I103 Y125 Q131 I142 P143	Y98-R100 HydrophobicContact CE1-CB 4.21Å; Y98-R100 WeakPolarHBondContact OH-CA 3.13Å; Y98-I103 HydrophobicContact CD2-CG2 3.76Å; Y98-I103 HydrophobicContact CE2-CG2 3.37Å; Y98-Y125 HydrophobicContact CD2-CD2 4.34Å; Y98-Y125 HydrophobicContact CD2-CE2 4.28Å; Y98-Q131 PolarHBondContact O-NE2 2.67Å; Y98-I142 HydrophobicContact CD1-CG1 4.19Å; Y98-I142 HydrophobicContact CD2-CD1 3.81Å; Y98-I142 HydrophobicContact CD2-CG1 4.04Å; Y98-I142 HydrophobicContact CD2-CG2 4.13Å; Y98-I142 HydrophobicContact CE1-CG1 4.4Å; Y98-I142 HydrophobicContact CE2-CD1 4.4Å; Y98-I142 HydrophobicContact CE2-CG1 4.24Å; Y98-I142 HydrophobicContact CE2-CG2 3.64Å; Y98-I142 HydrophobicContact CG-CD1 3.91Å; Y98-I142 HydrophobicContact CG-CG1 4.01Å; Y98-P143 WeakPolarHBondContact OH-CD 3.03Å
99	I	97.1	Very high	97.5	Very high	55 Å²	55	54 Å²	54	28%	0.282	25%	0.253	S	S	.	.			trans	-118	116.7	173.1	-61.3	179.2	0	0	0	107.9	N95 S97 H101 E102	N95-I99 HydrophobicContact CB-CD1 3.59Å; N95-I99 HydrophobicContact CB-CG1 4.1Å; S97-I99 PolarHBondContact O-N 3.14Å; I99-H101 HydrophobicContact CG2-CB 4.47Å; I99-H101 PolarHBondContact O-N 3.22Å; I99-E102 HydrophobicContact CB-CB 4.33Å; I99-E102 HydrophobicContact CB-CG 3.96Å; I99-E102 HydrophobicContact CG2-CG 4.06Å; I99-E102 PolarHBondContact O-N 3.35Å
100	R	95.6	Very high	97.5	Very high	175 Å²	175	51.8 Å²	51.8	66%	0.66	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.2	-175	68.1	171.6	-68.8	-134.5	4.4	115.9	Y98	Y98-R100 HydrophobicContact CE1-CB 4.21Å; Y98-R100 WeakPolarHBondContact OH-CA 3.13Å
101	H	96.2	Very high	97.6	Very high	91 Å²	91	55.8 Å²	55.8	42%	0.421	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-14.8	-179.7	-61.4	-59.5	0	0	0	112.9	I99 Q282 L283	I99-H101 HydrophobicContact CG2-CB 4.47Å; I99-H101 PolarHBondContact O-N 3.22Å; H101-Q282 HydrophobicContact CB-CB 3.82Å; H101-Q282 CarbonylContact O-C 3.14Å; H101-L283 WeakPolarHBondContact O-CA 3.18Å; H101-L283 PolarHBondContact O-N 2.85Å
102	E	97.5	Very high	97.6	Very high	19 Å²	19	51.9 Å²	51.9	9%	0.089	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.8	179	-69.1	-164	154.7	0	0	113.2	N95 I99 Q282 K284 L285	N95-E102 VanDerWaalsContact CB-OE2 3.31Å; N95-E102 WeakPolarHBondContact CB-OE2 3.18Å; N95-E102 PolarHBondContact N-OE2 2.65Å; I99-E102 HydrophobicContact CB-CB 4.33Å; I99-E102 HydrophobicContact CB-CG 3.96Å; I99-E102 HydrophobicContact CG2-CG 4.06Å; I99-E102 PolarHBondContact O-N 3.35Å; E102-Q282 WeakPolarHBondContact CA-O 3.39Å; E102-K284 HydrophobicContact CB-CD 4.39Å; E102-K284 HydrophobicContact CG-CD 4.14Å; E102-K284 WeakPolarHBondContact O-CA 3.41Å; E102-K284 WeakPolarHBondContact O-CB 3.26Å; E102-K284 PolarHBondContact O-N 3.42Å; E102-K284 WeakPolarHBondContact OE1-CE 3.45Å; E102-K284 IonicContact OE1-NZ 3.45Å; E102-K284 PolarHBondContact OE1-NZ 3.39Å; E102-K284 IonicContact OE2-NZ 2.82Å; E102-L285 PolarHBondContact O-N 2.95Å
103	I	98.2	Very high	97.8	Very high	9 Å²	9	44.9 Å²	44.9	5%	0.046	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.6	-173.4	-169.6	171.4	0	0	0	112.3	Y98 V105 L121 L124 Y125 L285 M287	Y98-I103 HydrophobicContact CD2-CG2 3.76Å; Y98-I103 HydrophobicContact CE2-CG2 3.37Å; I103-V105 HydrophobicContact CD1-CG2 4.27Å; I103-V105 HydrophobicContact CG1-CG2 4.19Å; I103-L121 HydrophobicContact CD1-CD2 4.26Å; I103-L124 HydrophobicContact CD1-CD2 3.9Å; I103-Y125 HydrophobicContact CD1-CE2 3.75Å; I103-Y125 HydrophobicContact CG2-CE2 4.4Å; I103-L285 WeakPolarHBondContact CA-O 3.44Å; I103-L285 HydrophobicContact CD1-CD2 3.78Å; I103-L285 HydrophobicContact CD1-CG 4.32Å; I103-L285 HydrophobicContact CG1-CB 4.16Å; I103-L285 HydrophobicContact CG1-CD2 4.28Å; I103-L285 HydrophobicContact CG1-CG 4.28Å; I103-M287 HydrophobicContact CD1-CG 4.19Å; I103-M287 HydrophobicContact CD1-SD 3.59Å; I103-M287 VanDerWaalsContact CD1-SD 3.59Å; I103-M287 HydrophobicContact CG1-SD 4.45Å
104	L	98.5	Very high	97.8	Very high	69 Å²	69	45.3 Å²	45.3	36%	0.361	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.3	170.4	-179.1	65.2	0	0	0	109	L283 L285 M286 M287	L104-L283 HydrophobicContact CB-CD1 3.87Å; L104-L285 PolarHBondContact N-O 3.31Å; L104-M286 HydrophobicContact CB-SD 3.75Å; L104-M286 HydrophobicContact CD2-CE 3.94Å; L104-M286 HydrophobicContact CD2-SD 3.61Å; L104-M286 HydrophobicContact CG-CE 4.2Å; L104-M286 HydrophobicContact CG-SD 3.7Å; L104-M286 WeakPolarHBondContact O-CA 3.47Å; L104-M287 PolarHBondContact O-N 3.2Å
105	V	98.9	Very high	97.9	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.2	-178	-173.9	0	0	0	0	108.6	I103 A117 L121 V144 H145 M287	I103-V105 HydrophobicContact CD1-CG2 4.27Å; I103-V105 HydrophobicContact CG1-CG2 4.19Å; V105-A117 HydrophobicContact CG1-CB 4.14Å; V105-L121 HydrophobicContact CG1-CD1 4.24Å; V105-L121 HydrophobicContact CG2-CD1 3.98Å; V105-L121 HydrophobicContact CG2-CD2 3.89Å; V105-L121 HydrophobicContact CG2-CG 4.39Å; V105-V144 HydrophobicContact CG1-CB 4.46Å; V105-V144 HydrophobicContact CG1-CG1 4.13Å; V105-V144 HydrophobicContact CG1-CG2 4.1Å; V105-H145 WeakPolarHBondContact O-CB 3.44Å; V105-H145 PolarHBondContact O-CD2 3.47Å; V105-H145 PolarHBondContact O-N 2.83Å; V105-M287 WeakPolarHBondContact CA-O 3.27Å; V105-M287 HydrophobicContact CB-CB 4.34Å; V105-M287 HydrophobicContact CG1-CB 4.07Å; V105-M287 HydrophobicContact CG2-CB 4.07Å; V105-M287 HydrophobicContact CG2-CG 4.43Å; V105-M287 HydrophobicContact CG2-SD 4.07Å
106	R	98.8	Very high	98	Very high	40 Å²	40	44.5 Å²	44.5	15%	0.151	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.5	173.7	-172.3	176.3	-177.6	-98.5	-0.9	109.9	H145 V147 E152 L155 M286 M287 L288 S289	R106-H145 CarbonylContact C-O 3.6Å; R106-H145 VanDerWaalsContact CA-O 3.26Å; R106-H145 WeakPolarHBondContact CA-O 3.31Å; R106-V147 VanDerWaalsContact NH2-CG2 3.31Å; R106-E152 IonicContact CZ-OE1 3.99Å; R106-E152 IonicContact CZ-OE2 3.89Å; R106-E152 IonicContact NH1-OE1 2.81Å; R106-E152 PolarHBondContact NH1-OE1 2.79Å; R106-E152 IonicContact NH1-OE2 3.24Å; R106-E152 PolarHBondContact NH1-OE2 3.35Å; R106-E152 VanDerWaalsContact NH2-CD 3.29Å; R106-E152 IonicContact NH2-OE1 2.76Å; R106-E152 PolarHBondContact NH2-OE1 3.42Å; R106-E152 IonicContact NH2-OE2 2.61Å; R106-E152 PolarHBondContact NH2-OE2 2.98Å; R106-L155 HydrophobicContact CB-CD1 4.39Å; R106-L155 HydrophobicContact CG-CD1 3.93Å; R106-M286 HydrophobicContact CB-CE 3.94Å; R106-M287 PolarHBondContact N-O 3.47Å; R106-L288 HydrophobicContact CB-CD2 4.11Å; R106-L288 CarbonylContact O-C 3.51Å; R106-L288 WeakPolarHBondContact O-CA 3.25Å; R106-S289 PolarHBondContact O-N 3.34Å
107	S	98.9	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	159.6	174.2	179.5	0	0	0	0	109.8	T113 L114 H145 T146 S289	S107-T113 VanDerWaalsContact OG-CB 3.29Å; S107-T113 WeakPolarHBondContact OG-CB 3.31Å; S107-T113 PolarHBondContact OG-O 2.86Å; S107-T113 PolarHBondContact OG-OG1 3.23Å; S107-L114 PolarHBondContact OG-N 3Å; S107-H145 PolarHBondContact N-O 3.12Å; S107-T146 PolarHBondContact O-OG1 3.49Å; S107-S289 VanDerWaalsContact CA-O 3.29Å; S107-S289 WeakPolarHBondContact CA-O 3.38Å
108	T	98.9	Very high	98.3	Very high	3 Å²	3	43 Å²	43	2%	0.018	20%	0.2	C	C	.	.			trans	-67.1	153.4	155.6	47	0	0	0	0	110.6	V110 T113 E152 L155 S289 H291	T108-V110 PolarHBondContact O-N 3.04Å; T108-T113 PolarHBondContact O-OG1 3.38Å; T108-T113 WeakPolarHBondContact OG1-CB 3.37Å; T108-T113 WeakPolarHBondContact OG1-CG2 3.44Å; T108-T113 PolarHBondContact OG1-OG1 3.49Å; T108-E152 HydrophobicContact CG2-CG 4.27Å; T108-L155 HydrophobicContact CG2-CB 3.53Å; T108-L155 WeakPolarHBondContact CG2-O 3.49Å; T108-S289 PolarHBondContact N-O 2.84Å; T108-H291 PolarHBondContact OG1-NE2 3.05Å
109	D	98.6	Very high	98.4	Very high	60 Å²	60	42.2 Å²	42.2	32%	0.321	20%	0.2	S	C	.	.	S	Bend	trans	-79.1	62.9	178.3	-170.1	33.4	0	0	0	112.2	T146 V147 Q149	D109-T146 VanDerWaalsContact CA-OG1 3.28Å; D109-T146 WeakPolarHBondContact CA-OG1 3.44Å; D109-T146 HydrophobicContact CB-CG2 4.4Å; D109-T146 WeakPolarHBondContact CB-OG1 2.98Å; D109-T146 PolarHBondContact N-OG1 3.35Å; D109-T146 VanDerWaalsContact N-OG1 3.1Å; D109-V147 VanDerWaalsContact CB-O 3.22Å; D109-V147 WeakPolarHBondContact CB-O 3.08Å; D109-Q149 HydrophobicContact CB-CG 4.03Å; D109-Q149 WeakPolarHBondContact O-CG 3.42Å; D109-Q149 PolarHBondContact O-NE2 2.77Å
110	V	98.6	Very high	98.5	Very high	24 Å²	24	39.6 Å²	39.6	15%	0.145	19%	0.187	C	C	.	.	S	Bend	trans	-137.9	131.3	177.5	-169.5	0	0	0	0	108.1	T108 R112 T113 L114	T108-V110 PolarHBondContact O-N 3.04Å; V110-R112 VanDerWaalsContact C-N 3.26Å; V110-R112 HydrophobicContact CG1-CG 3.94Å; V110-R112 VanDerWaalsContact CG1-NH1 3.34Å; V110-R112 PolarHBondContact O-N 3.21Å; V110-R112 VanDerWaalsContact O-N 3.12Å; V110-T113 PolarHBondContact O-N 3.43Å; V110-T113 PolarHBondContact O-OG1 3.38Å; V110-L114 PolarHBondContact O-N 3.23Å
111	D	98.8	Very high	98.6	Very high	85 Å²	85	31.6 Å²	31.6	46%	0.455	16%	0.157	S	C	.	.	H	α-helix	trans	-46.2	-50.3	-175.3	-61.1	-3.4	0	0	0	112.3	Q70 T113 L114 M115	Q70-D111 PolarHBondContact NE2-OD2 2.94Å; D111-T113 VanDerWaalsContact C-N 3.26Å; D111-T113 PolarHBondContact O-N 2.79Å; D111-L114 PolarHBondContact O-N 3.16Å; D111-M115 HydrophobicContact CB-SD 4.21Å; D111-M115 VanDerWaalsContact O-CB 3.31Å; D111-M115 WeakPolarHBondContact O-CB 3.38Å; D111-M115 VanDerWaalsContact O-CG 3.23Å; D111-M115 WeakPolarHBondContact O-CG 3.28Å; D111-M115 PolarHBondContact O-N 3.49Å
112	R	98.8	Very high	98.7	Very high	43 Å²	43	28.1 Å²	28.1	16%	0.162	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-29.8	-178.6	65.1	177.4	174	-79.6	-7.4	114.7	H45 G69 L71 V110 S116	H45-R112 HydrophobicContact CB-CB 4.49Å; H45-R112 HydrophobicContact CB-CG 4.41Å; H45-R112 WeakPolarHBondContact CB-O 3.41Å; H45-R112 WeakPolarHBondContact NE2-CD 3.45Å; H45-R112 PolarHBondContact NE2-NE 2.88Å; G69-R112 WeakPolarHBondContact O-CD 3.33Å; G69-R112 PolarHBondContact O-NH1 2.86Å; G69-R112 VanDerWaalsContact O-NH1 3.13Å; L71-R112 HydrophobicContact CB-CB 4.11Å; L71-R112 HydrophobicContact CD1-CB 4.48Å; V110-R112 VanDerWaalsContact C-N 3.26Å; V110-R112 HydrophobicContact CG1-CG 3.94Å; V110-R112 VanDerWaalsContact CG1-NH1 3.34Å; V110-R112 PolarHBondContact O-N 3.21Å; V110-R112 VanDerWaalsContact O-N 3.12Å; R112-S116 WeakPolarHBondContact O-CB 3.34Å; R112-S116 PolarHBondContact O-N 3.24Å; R112-S116 PolarHBondContact O-OG 2.98Å
113	T	98.9	Very high	98.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-85	-37.7	177.5	45.5	0	0	0	0	111.7	H45 S107 T108 V110 D111 S116 A117 S289 A290	H45-T113 HydrophobicContact CB-CG2 3.98Å; S107-T113 VanDerWaalsContact OG-CB 3.29Å; S107-T113 WeakPolarHBondContact OG-CB 3.31Å; S107-T113 PolarHBondContact OG-O 2.86Å; S107-T113 PolarHBondContact OG-OG1 3.23Å; T108-T113 PolarHBondContact O-OG1 3.38Å; T108-T113 WeakPolarHBondContact OG1-CB 3.37Å; T108-T113 WeakPolarHBondContact OG1-CG2 3.44Å; T108-T113 PolarHBondContact OG1-OG1 3.49Å; V110-T113 PolarHBondContact O-N 3.43Å; V110-T113 PolarHBondContact O-OG1 3.38Å; D111-T113 VanDerWaalsContact C-N 3.26Å; D111-T113 PolarHBondContact O-N 2.79Å; T113-S116 PolarHBondContact O-N 3.13Å; T113-A117 PolarHBondContact O-N 3.09Å; T113-S289 PolarHBondContact O-OG 3.12Å; T113-A290 VanDerWaalsContact CG2-O 3.27Å; T113-A290 WeakPolarHBondContact CG2-O 3.38Å
114	L	98.9	Very high	98.8	Very high	33 Å²	33	26.9 Å²	26.9	17%	0.173	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-53.1	175	-70.9	166.3	0	0	0	110.8	S107 V110 D111 S116 A117 E118 V144	S107-L114 PolarHBondContact OG-N 3Å; V110-L114 PolarHBondContact O-N 3.23Å; D111-L114 PolarHBondContact O-N 3.16Å; L114-S116 PolarHBondContact O-N 3.45Å; L114-A117 WeakPolarHBondContact O-CB 3.47Å; L114-A117 PolarHBondContact O-N 2.89Å; L114-E118 WeakPolarHBondContact O-CG 3.39Å; L114-E118 PolarHBondContact O-N 3.01Å; L114-V144 HydrophobicContact CD2-CG1 3.81Å
115	M	98.9	Very high	98.8	Very high	58 Å²	58	23.6 Å²	23.6	29%	0.286	12%	0.122	S	C	.	.	H	α-helix	trans	-61.9	-32.9	177.4	-64.5	168.2	67.9	0	0	112.2	L71 M76 D111 E118 A119	L71-M115 HydrophobicContact CB-CE 4.28Å; L71-M115 HydrophobicContact CB-SD 4.43Å; L71-M115 HydrophobicContact CD2-CB 3.67Å; M76-M115 HydrophobicContact CE-CE 3.4Å; M76-M115 VanDerWaalsContact CE-CE 3.4Å; D111-M115 HydrophobicContact CB-SD 4.21Å; D111-M115 VanDerWaalsContact O-CB 3.31Å; D111-M115 WeakPolarHBondContact O-CB 3.38Å; D111-M115 VanDerWaalsContact O-CG 3.23Å; D111-M115 WeakPolarHBondContact O-CG 3.28Å; D111-M115 PolarHBondContact O-N 3.49Å; M115-E118 PolarHBondContact O-N 2.79Å; M115-A119 WeakPolarHBondContact O-CB 3.42Å; M115-A119 PolarHBondContact O-N 3.36Å
116	S	98.9	Very high	98.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.9	-43.1	173.4	-74	0	0	0	0	111.8	H45 G46 L71 Q79 R112 T113 L114 N120	H45-S116 VanDerWaalsContact CA-OG 3.29Å; H45-S116 WeakPolarHBondContact CA-OG 3.32Å; H45-S116 VanDerWaalsContact CB-OG 3.3Å; H45-S116 WeakPolarHBondContact CB-OG 3.25Å; G46-S116 PolarHBondContact N-OG 3.21Å; G46-S116 VanDerWaalsContact N-OG 3.07Å; L71-S116 WeakPolarHBondContact CD1-OG 3.44Å; Q79-S116 WeakPolarHBondContact CB-O 3.35Å; R112-S116 WeakPolarHBondContact O-CB 3.34Å; R112-S116 PolarHBondContact O-N 3.24Å; R112-S116 PolarHBondContact O-OG 2.98Å; T113-S116 PolarHBondContact O-N 3.13Å; L114-S116 PolarHBondContact O-N 3.45Å; S116-N120 VanDerWaalsContact O-CB 3.26Å; S116-N120 WeakPolarHBondContact O-CB 3.08Å; S116-N120 PolarHBondContact O-N 2.78Å
117	A	98.9	Very high	98.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-43.2	176.5	0	0	0	0	0	111.2	V105 T113 L114 N120 L121 V144	V105-A117 HydrophobicContact CG1-CB 4.14Å; T113-A117 PolarHBondContact O-N 3.09Å; L114-A117 WeakPolarHBondContact O-CB 3.47Å; L114-A117 PolarHBondContact O-N 2.89Å; A117-N120 PolarHBondContact O-N 3.14Å; A117-L121 WeakPolarHBondContact O-CB 3.35Å; A117-L121 WeakPolarHBondContact O-CD1 3.46Å; A117-L121 VanDerWaalsContact O-CG 3.22Å; A117-L121 WeakPolarHBondContact O-CG 3.22Å; A117-L121 PolarHBondContact O-N 3.04Å; A117-V144 HydrophobicContact CB-CG1 3.89Å; A117-V144 HydrophobicContact CB-CG2 3.93Å
118	E	98.9	Very high	98.4	Very high	103 Å²	103	29.1 Å²	29.1	48%	0.481	15%	0.153	S	C	.	.	H	α-helix	trans	-63.1	-46	177.5	-67.9	173.3	169.6	0	0	112.5	L114 M115 N120 L121 A122 V144	L114-E118 WeakPolarHBondContact O-CG 3.39Å; L114-E118 PolarHBondContact O-N 3.01Å; M115-E118 PolarHBondContact O-N 2.79Å; E118-N120 VanDerWaalsContact C-N 3.32Å; E118-N120 PolarHBondContact O-N 3.13Å; E118-L121 PolarHBondContact O-N 3.37Å; E118-A122 PolarHBondContact O-N 3.45Å; E118-V144 HydrophobicContact CG-CG2 4.16Å
119	A	98.9	Very high	98.1	Very high	17 Å²	17	32 Å²	32	14%	0.14	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-39.6	176.1	0	0	0	0	0	111.7	Q79 Y80 M115 A122 G123	Q79-A119 HydrophobicContact CB-CB 3.88Å; Y80-A119 WeakPolarHBondContact CA-O 3.33Å; M115-A119 WeakPolarHBondContact O-CB 3.42Å; M115-A119 PolarHBondContact O-N 3.36Å; A119-A122 WeakPolarHBondContact O-CB 3.28Å; A119-A122 PolarHBondContact O-N 3.43Å; A119-G123 PolarHBondContact O-N 3.21Å
120	N	98.9	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-47.3	174.9	-166.7	-55.3	0	0	0	111.7	Q79 L82 G83 S116 A117 E118 A122 G123 L124 M287	Q79-N120 HydrophobicContact CB-CB 4.32Å; Q79-N120 VanDerWaalsContact O-CA 3.26Å; Q79-N120 WeakPolarHBondContact O-CA 3.47Å; Q79-N120 PolarHBondContact OE1-ND2 3.15Å; Q79-N120 VanDerWaalsContact OE1-ND2 3.12Å; L82-N120 WeakPolarHBondContact CD2-ND2 3.31Å; L82-N120 WeakPolarHBondContact CG-ND2 3.47Å; G83-N120 WeakPolarHBondContact CA-O 3.27Å; G83-N120 VanDerWaalsContact CA-OD1 3.23Å; G83-N120 WeakPolarHBondContact CA-OD1 3.43Å; S116-N120 VanDerWaalsContact O-CB 3.26Å; S116-N120 WeakPolarHBondContact O-CB 3.08Å; S116-N120 PolarHBondContact O-N 2.78Å; A117-N120 PolarHBondContact O-N 3.14Å; E118-N120 VanDerWaalsContact C-N 3.32Å; E118-N120 PolarHBondContact O-N 3.13Å; N120-A122 VanDerWaalsContact C-N 3.27Å; N120-A122 PolarHBondContact O-N 3Å; N120-G123 WeakPolarHBondContact O-CA 3.45Å; N120-G123 PolarHBondContact O-N 3.3Å; N120-L124 PolarHBondContact O-N 3.3Å; N120-M287 HydrophobicContact CB-CE 4.32Å; N120-M287 WeakPolarHBondContact OD1-CE 3.44Å
121	L	98.9	Very high	97.9	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-34	176.8	-73.7	167	0	0	0	112.8	I103 V105 A117 E118 G123 L124 Y125 I142 V144 M287	I103-L121 HydrophobicContact CD1-CD2 4.26Å; V105-L121 HydrophobicContact CG1-CD1 4.24Å; V105-L121 HydrophobicContact CG2-CD1 3.98Å; V105-L121 HydrophobicContact CG2-CD2 3.89Å; V105-L121 HydrophobicContact CG2-CG 4.39Å; A117-L121 WeakPolarHBondContact O-CB 3.35Å; A117-L121 WeakPolarHBondContact O-CD1 3.46Å; A117-L121 VanDerWaalsContact O-CG 3.22Å; A117-L121 WeakPolarHBondContact O-CG 3.22Å; A117-L121 PolarHBondContact O-N 3.04Å; E118-L121 PolarHBondContact O-N 3.37Å; L121-G123 VanDerWaalsContact C-N 3.28Å; L121-G123 PolarHBondContact O-N 3.22Å; L121-L124 HydrophobicContact CD2-CD2 4.39Å; L121-L124 PolarHBondContact O-N 3.18Å; L121-Y125 HydrophobicContact CD2-CD2 4.46Å; L121-Y125 PolarHBondContact O-N 3.32Å; L121-I142 HydrophobicContact CB-CD1 4.38Å; L121-I142 HydrophobicContact CD1-CB 4Å; L121-I142 HydrophobicContact CD1-CG2 3.76Å; L121-I142 HydrophobicContact CD2-CD1 4.29Å; L121-I142 HydrophobicContact CD2-CG2 3.96Å; L121-I142 HydrophobicContact CG-CG2 4.38Å; L121-V144 HydrophobicContact CD1-CG2 3.75Å; L121-M287 HydrophobicContact CD2-CE 4.47Å; L121-M287 HydrophobicContact CD2-SD 3.86Å
122	A	98.8	Very high	97.9	Very high	18 Å²	18	39.5 Å²	39.5	15%	0.149	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-32.5	173.3	0	0	0	0	0	112.7	Y80 E118 A119 N120	Y80-A122 HydrophobicContact CD2-CB 4.04Å; Y80-A122 VanDerWaalsContact CE2-C 3.48Å; Y80-A122 HydrophobicContact CE2-CB 4.11Å; Y80-A122 WeakPolarHBondContact CE2-O 3.46Å; E118-A122 PolarHBondContact O-N 3.45Å; A119-A122 WeakPolarHBondContact O-CB 3.28Å; A119-A122 PolarHBondContact O-N 3.43Å; N120-A122 VanDerWaalsContact C-N 3.27Å; N120-A122 PolarHBondContact O-N 3Å
123	G	98.5	Very high	97.8	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-77.9	-33.9	172.6	0	0	0	0	0	113.1	Y80 A119 N120 L121	Y80-G123 VanDerWaalsContact CE2-CA 3.5Å; A119-G123 PolarHBondContact O-N 3.21Å; N120-G123 WeakPolarHBondContact O-CA 3.45Å; N120-G123 PolarHBondContact O-N 3.3Å; L121-G123 VanDerWaalsContact C-N 3.28Å; L121-G123 PolarHBondContact O-N 3.22Å
124	L	98.6	Very high	97.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-76.3	-41.2	-178.6	-176.3	59.3	0	0	0	113.1	L86 R87 L94 I103 N120 L121 L285 M287	L86-L124 HydrophobicContact CB-CD1 4.05Å; R87-L124 HydrophobicContact CB-CD1 3.89Å; R87-L124 WeakPolarHBondContact CD-O 3.43Å; L94-L124 HydrophobicContact CD1-CD1 4.46Å; I103-L124 HydrophobicContact CD1-CD2 3.9Å; N120-L124 PolarHBondContact O-N 3.3Å; L121-L124 HydrophobicContact CD2-CD2 4.39Å; L121-L124 PolarHBondContact O-N 3.18Å; L124-L285 HydrophobicContact CD2-CD2 4.11Å; L124-M287 HydrophobicContact CD2-CE 4.34Å; L124-M287 HydrophobicContact CD2-SD 3.75Å
125	Y	98.4	Very high	97.5	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	28%	0.278	C	S	.	.			trans	-129.6	65.9	-176.1	-70.5	-72.2	0	0	0	114.1	Y98 I103 L121 Q140 I142	Y98-Y125 HydrophobicContact CD2-CD2 4.34Å; Y98-Y125 HydrophobicContact CD2-CE2 4.28Å; I103-Y125 HydrophobicContact CD1-CE2 3.75Å; I103-Y125 HydrophobicContact CG2-CE2 4.4Å; L121-Y125 HydrophobicContact CD2-CD2 4.46Å; L121-Y125 PolarHBondContact O-N 3.32Å; Y125-Q140 PolarHBondContact O-NE2 3.44Å; Y125-I142 HydrophobicContact CD2-CD1 3.74Å; Y125-I142 HydrophobicContact CG-CD1 4Å
126	P	97	Very high	97.3	Very high	48 Å²	48	53.6 Å²	53.6	31%	0.312	30%	0.299	S	S	.	.			trans	-55.2	127.4	164.4	-20.4	32.1	0	0	0	110
127	P	97	Very high	97.2	Very high	13 Å²	13	57.1 Å²	57.1	8%	0.084	32%	0.318	C	S	.	.			trans	-65	142.1	-174.5	27.2	-35.6	0	0	0	111.7	Q131 I132 K138 Q140	P127-Q131 HydrophobicContact CB-CB 4.23Å; P127-Q131 WeakPolarHBondContact CB-O 3.25Å; P127-I132 HydrophobicContact CB-CG1 4Å; P127-I132 HydrophobicContact CG-CG1 4.38Å; P127-K138 VanDerWaalsContact CD-C 3.44Å; P127-Q140 HydrophobicContact CB-CB 4.18Å; P127-Q140 HydrophobicContact CB-CG 4.29Å
128	K	93.4	Very high	97	Very high	96 Å²	96	65.8 Å²	65.8	42%	0.417	36%	0.355	S	S	.	.			trans	-133.4	152.4	176.6	-67.2	-169.8	177.8	-169.8	0	111	E96 Q130 Q131	E96-K128 VanDerWaalsContact CD-NZ 3.33Å; E96-K128 HydrophobicContact CG-CD 3.88Å; E96-K128 IonicContact OE1-NZ 2.81Å; E96-K128 PolarHBondContact OE1-NZ 2.92Å; E96-K128 IonicContact OE2-NZ 3.33Å; K128-Q130 PolarHBondContact O-N 3.12Å; K128-Q131 WeakPolarHBondContact O-CB 3.48Å; K128-Q131 PolarHBondContact O-N 3.28Å
129	G	94.3	Very high	96.9	Very high	63 Å²	63	65.9 Å²	65.9	65%	0.649	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	51.7	-124	176.5	0	0	0	0	0	112.2	Q131 I132	G129-Q131 PolarHBondContact O-N 2.91Å; G129-I132 PolarHBondContact O-N 3.18Å
130	Q	95.5	Very high	96.8	Very high	205 Å²	205	66 Å²	66	96%	0.958	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-68.6	-14.1	-177.7	-64.7	-177.7	-6.5	0	0	114.5	K128 I132	K128-Q130 PolarHBondContact O-N 3.12Å; Q130-I132 VanDerWaalsContact C-N 3.27Å
131	Q	96.7	Very high	96.8	Very high	50 Å²	50	69.9 Å²	69.9	23%	0.234	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-80.7	-6.9	175.5	-63.8	-165.6	-35.7	0	0	113.3	Y98 P127 K128 G129 F133	Y98-Q131 PolarHBondContact O-NE2 2.67Å; P127-Q131 HydrophobicContact CB-CB 4.23Å; P127-Q131 WeakPolarHBondContact CB-O 3.25Å; K128-Q131 WeakPolarHBondContact O-CB 3.48Å; K128-Q131 PolarHBondContact O-N 3.28Å; G129-Q131 PolarHBondContact O-N 2.91Å; Q131-F133 PolarHBondContact O-N 2.75Å; Q131-F133 VanDerWaalsContact O-N 3.15Å
132	I	97.6	Very high	96.8	Very high	73 Å²	73	70.5 Å²	70.5	37%	0.374	38%	0.377	S	S	.	.			trans	-78.6	96.9	173.1	-58.4	170.8	0	0	0	108.2	P127 G129 Q130	P127-I132 HydrophobicContact CB-CG1 4Å; P127-I132 HydrophobicContact CG-CG1 4.38Å; G129-I132 PolarHBondContact O-N 3.18Å; Q130-I132 VanDerWaalsContact C-N 3.27Å
133	F	96.7	Very high	96.8	Very high	126 Å²	126	72.7 Å²	72.7	55%	0.553	39%	0.39	S	S	*	.	S	Bend	trans	-83.7	-21.8	176.2	80.9	-86.2	0	0	0	112.9	Q131 L137 W139	Q131-F133 PolarHBondContact O-N 2.75Å; Q131-F133 VanDerWaalsContact O-N 3.15Å; F133-L137 HydrophobicContact CE1-CD2 4.46Å; F133-L137 HydrophobicContact CZ-CD2 3.92Å; F133-W139 AromaticContact CE1-CE3 3.76Å; F133-W139 HydrophobicContact CE1-CE3 3.76Å; F133-W139 AromaticContact CE1-CZ3 3.87Å; F133-W139 HydrophobicContact CE1-CZ3 3.87Å; F133-W139 VanDerWaalsContact CE1-O 3.29Å; F133-W139 WeakPolarHBondContact CE1-O 3.22Å; F133-W139 AromaticContact CZ-CE3 3.92Å; F133-W139 HydrophobicContact CZ-CE3 3.92Å; F133-W139 AromaticContact CZ-CZ3 3.78Å; F133-W139 HydrophobicContact CZ-CZ3 3.78Å
134	Q	97	Very high	96.8	Very high	86 Å²	86	74 Å²	74	40%	0.402	40%	0.398	S	S	.	.	S	Bend	trans	-138.5	107.5	177.8	171.8	58.3	-64.8	0	0	109.8	S136 L137	Q134-S136 VanDerWaalsContact C-N 3.29Å; Q134-S136 PolarHBondContact O-N 3.23Å; Q134-S136 VanDerWaalsContact O-N 3.15Å; Q134-L137 HydrophobicContact CB-CB 4Å; Q134-L137 HydrophobicContact CG-CB 3.61Å; Q134-L137 PolarHBondContact O-N 2.83Å; Q134-L137 VanDerWaalsContact O-O 3.1Å
135	P	94.8	Very high	96.8	Very high	112 Å²	112	78.6 Å²	78.6	73%	0.727	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.5	-172.9	-32	37.3	0	0	0	116.7	L137	P135-L137 VanDerWaalsContact C-N 3.3Å
136	S	96.4	Very high	96.8	Very high	105 Å²	105	81.2 Å²	81.2	73%	0.734	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-8.2	178.5	57.5	0	0	0	0	113.8	Q134	Q134-S136 VanDerWaalsContact C-N 3.29Å; Q134-S136 PolarHBondContact O-N 3.23Å; Q134-S136 VanDerWaalsContact O-N 3.15Å
137	L	95.8	Very high	96.9	Very high	75 Å²	75	80.9 Å²	80.9	39%	0.393	43%	0.432	S	S	.	.			trans	-117.2	105.7	-174.7	-179.2	61.8	0	0	0	110.1	F133 Q134 P135 W139	F133-L137 HydrophobicContact CE1-CD2 4.46Å; F133-L137 HydrophobicContact CZ-CD2 3.92Å; Q134-L137 HydrophobicContact CB-CB 4Å; Q134-L137 HydrophobicContact CG-CB 3.61Å; Q134-L137 PolarHBondContact O-N 2.83Å; Q134-L137 VanDerWaalsContact O-O 3.1Å; P135-L137 VanDerWaalsContact C-N 3.3Å; L137-W139 HydrophobicContact CD1-CB 4.02Å; L137-W139 HydrophobicContact CD2-CE3 3.94Å; L137-W139 HydrophobicContact CG-CB 3.97Å; L137-W139 PolarHBondContact O-N 3.48Å
138	K	94.4	Very high	96.9	Very high	181 Å²	181	83.1 Å²	83.1	79%	0.787	45%	0.446	S	S	*	.			trans	-80	52.1	176.2	-62.6	-174.5	-179.4	179.8	0	111.9	P127	P127-K138 VanDerWaalsContact CD-C 3.44Å
139	W	97.4	Very high	96.9	Very high	105 Å²	105	84.6 Å²	84.6	40%	0.398	46%	0.455	S	S	.	.			trans	-143.1	151.1	179.5	170.5	91.9	0	0	0	110	F133 L137 P141	F133-W139 AromaticContact CE1-CE3 3.76Å; F133-W139 HydrophobicContact CE1-CE3 3.76Å; F133-W139 AromaticContact CE1-CZ3 3.87Å; F133-W139 HydrophobicContact CE1-CZ3 3.87Å; F133-W139 VanDerWaalsContact CE1-O 3.29Å; F133-W139 WeakPolarHBondContact CE1-O 3.22Å; F133-W139 AromaticContact CZ-CE3 3.92Å; F133-W139 HydrophobicContact CZ-CE3 3.92Å; F133-W139 AromaticContact CZ-CZ3 3.78Å; F133-W139 HydrophobicContact CZ-CZ3 3.78Å; L137-W139 HydrophobicContact CD1-CB 4.02Å; L137-W139 HydrophobicContact CD2-CE3 3.94Å; L137-W139 HydrophobicContact CG-CB 3.97Å; L137-W139 PolarHBondContact O-N 3.48Å; W139-P141 HydrophobicContact CH2-CB 3.62Å; W139-P141 HydrophobicContact CH2-CG 4.22Å; W139-P141 HydrophobicContact CZ2-CB 4.05Å; W139-P141 HydrophobicContact CZ3-CB 4.27Å; W139-P141 HydrophobicContact CZ3-CG 4.39Å
140	Q	97.5	Very high	96.8	Very high	19 Å²	19	87.7 Å²	87.7	9%	0.089	46%	0.457	C	S	.	.			trans	-137	147	171.2	58.9	-179.2	-44.3	0	0	110.1	Y125 P127 I142	Y125-Q140 PolarHBondContact O-NE2 3.44Å; P127-Q140 HydrophobicContact CB-CB 4.18Å; P127-Q140 HydrophobicContact CB-CG 4.29Å; Q140-I142 HydrophobicContact CG-CD1 4.33Å; Q140-I142 HydrophobicContact CG-CG1 4.27Å; Q140-I142 PolarHBondContact O-N 3.38Å
141	P	97.6	Very high	96.8	Very high	83 Å²	83	83.9 Å²	83.9	54%	0.539	44%	0.439	S	S	.	.			trans	-69.8	124.3	176	27.4	-32.2	0	0	0	110.4	W139	W139-P141 HydrophobicContact CH2-CB 3.62Å; W139-P141 HydrophobicContact CH2-CG 4.22Å; W139-P141 HydrophobicContact CZ2-CB 4.05Å; W139-P141 HydrophobicContact CZ3-CB 4.27Å; W139-P141 HydrophobicContact CZ3-CG 4.39Å
142	I	98.7	Very high	96.8	Very high	19 Å²	19	81.9 Å²	81.9	10%	0.097	43%	0.43	C	S	.	.			trans	-123.4	128.6	172	-64.1	175.3	0	0	0	107.5	Y98 L121 Y125 Q140 V144	Y98-I142 HydrophobicContact CD1-CG1 4.19Å; Y98-I142 HydrophobicContact CD2-CD1 3.81Å; Y98-I142 HydrophobicContact CD2-CG1 4.04Å; Y98-I142 HydrophobicContact CD2-CG2 4.13Å; Y98-I142 HydrophobicContact CE1-CG1 4.4Å; Y98-I142 HydrophobicContact CE2-CD1 4.4Å; Y98-I142 HydrophobicContact CE2-CG1 4.24Å; Y98-I142 HydrophobicContact CE2-CG2 3.64Å; Y98-I142 HydrophobicContact CG-CD1 3.91Å; Y98-I142 HydrophobicContact CG-CG1 4.01Å; L121-I142 HydrophobicContact CB-CD1 4.38Å; L121-I142 HydrophobicContact CD1-CB 4Å; L121-I142 HydrophobicContact CD1-CG2 3.76Å; L121-I142 HydrophobicContact CD2-CD1 4.29Å; L121-I142 HydrophobicContact CD2-CG2 3.96Å; L121-I142 HydrophobicContact CG-CG2 4.38Å; Y125-I142 HydrophobicContact CD2-CD1 3.74Å; Y125-I142 HydrophobicContact CG-CD1 4Å; Q140-I142 HydrophobicContact CG-CD1 4.33Å; Q140-I142 HydrophobicContact CG-CG1 4.27Å; Q140-I142 PolarHBondContact O-N 3.38Å; I142-V144 PolarHBondContact O-N 2.7Å
143	P	98.7	Very high	96.7	Very high	65 Å²	65	81.8 Å²	81.8	42%	0.422	43%	0.426	S	S	.	.			trans	-66.1	130.5	-174.6	26.3	-34.3	0	0	0	112	Y98	Y98-P143 WeakPolarHBondContact OH-CD 3.03Å
144	V	98.9	Very high	96.7	Very high	29 Å²	29	77.6 Å²	77.6	18%	0.176	41%	0.41	C	S	.	.			trans	-109.4	114.7	169.1	-179.7	0	0	0	0	107.7	V105 L114 A117 E118 L121 I142	V105-V144 HydrophobicContact CG1-CB 4.46Å; V105-V144 HydrophobicContact CG1-CG1 4.13Å; V105-V144 HydrophobicContact CG1-CG2 4.1Å; L114-V144 HydrophobicContact CD2-CG1 3.81Å; A117-V144 HydrophobicContact CB-CG1 3.89Å; A117-V144 HydrophobicContact CB-CG2 3.93Å; E118-V144 HydrophobicContact CG-CG2 4.16Å; L121-V144 HydrophobicContact CD1-CG2 3.75Å; I142-V144 PolarHBondContact O-N 2.7Å
145	H	98.8	Very high	96.8	Very high	96 Å²	96	73.5 Å²	73.5	44%	0.444	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-86.2	146.3	-179.3	-60.3	-77.8	0	0	0	111	V105 R106 S107	V105-H145 WeakPolarHBondContact O-CB 3.44Å; V105-H145 PolarHBondContact O-CD2 3.47Å; V105-H145 PolarHBondContact O-N 2.83Å; R106-H145 CarbonylContact C-O 3.6Å; R106-H145 VanDerWaalsContact CA-O 3.26Å; R106-H145 WeakPolarHBondContact CA-O 3.31Å; S107-H145 PolarHBondContact N-O 3.12Å
146	T	98.7	Very high	96.9	Very high	57 Å²	57	70.4 Å²	70.4	35%	0.35	37%	0.371	S	S	.	.			trans	-144.4	168.5	177.2	-166.2	0	0	0	0	110.3	S107 D109	S107-T146 PolarHBondContact O-OG1 3.49Å; D109-T146 VanDerWaalsContact CA-OG1 3.28Å; D109-T146 WeakPolarHBondContact CA-OG1 3.44Å; D109-T146 HydrophobicContact CB-CG2 4.4Å; D109-T146 WeakPolarHBondContact CB-OG1 2.98Å; D109-T146 PolarHBondContact N-OG1 3.35Å; D109-T146 VanDerWaalsContact N-OG1 3.1Å
147	V	98.2	Very high	97	Very high	41 Å²	41	65.8 Å²	65.8	25%	0.248	34%	0.338	C	S	.	.			trans	-127.5	148.1	167.2	-58.6	0	0	0	0	108.3	R106 D109 E152	R106-V147 VanDerWaalsContact NH2-CG2 3.31Å; D109-V147 VanDerWaalsContact CB-O 3.22Å; D109-V147 WeakPolarHBondContact CB-O 3.08Å; V147-E152 HydrophobicContact CG2-CB 3.98Å; V147-E152 WeakPolarHBondContact CG2-OE2 3.4Å
148	P	97.7	Very high	97.1	Very high	59 Å²	59	63.9 Å²	63.9	38%	0.383	33%	0.33	S	S	.	.			trans	-51.1	144.6	177.2	-28.3	36.8	0	0	0	112.7	N150 E151 E152	P148-N150 VanDerWaalsContact CB-OD1 3.23Å; P148-N150 WeakPolarHBondContact CB-OD1 3.44Å; P148-N150 PolarHBondContact O-N 2.71Å; P148-N150 VanDerWaalsContact O-N 3.13Å; P148-E151 CarbonylContact O-C 3.43Å; P148-E151 WeakPolarHBondContact O-CA 3.17Å; P148-E151 PolarHBondContact O-N 3.01Å; P148-E152 PolarHBondContact O-N 3.1Å; P148-E152 VanDerWaalsContact O-N 3.09Å
149	Q	93	Very high	97.2	Very high	128 Å²	128	55.7 Å²	55.7	60%	0.598	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.8	-174.6	-66.8	-175.2	14.9	0	0	114.2	D109 E151 E152	D109-Q149 HydrophobicContact CB-CG 4.03Å; D109-Q149 WeakPolarHBondContact O-CG 3.42Å; D109-Q149 PolarHBondContact O-NE2 2.77Å; Q149-E151 VanDerWaalsContact C-N 3.26Å; Q149-E151 PolarHBondContact O-N 2.94Å; Q149-E152 PolarHBondContact O-N 3.48Å
150	N	93.3	Very high	96.8	Very high	128 Å²	128	57.5 Å²	57.5	68%	0.684	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.3	177.9	62.3	-30.1	0	0	0	113.5	P148	P148-N150 VanDerWaalsContact CB-OD1 3.23Å; P148-N150 WeakPolarHBondContact CB-OD1 3.44Å; P148-N150 PolarHBondContact O-N 2.71Å; P148-N150 VanDerWaalsContact O-N 3.13Å
151	E	95.4	Very high	96.7	Very high	125 Å²	125	60.1 Å²	60.1	58%	0.584	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-7.1	177.1	-65.3	178	-157.3	0	0	112.7	P148 Q149 K153	P148-E151 CarbonylContact O-C 3.43Å; P148-E151 WeakPolarHBondContact O-CA 3.17Å; P148-E151 PolarHBondContact O-N 3.01Å; Q149-E151 VanDerWaalsContact C-N 3.26Å; Q149-E151 PolarHBondContact O-N 2.94Å; E151-K153 PolarHBondContact O-N 3.36Å
152	E	96.1	Very high	96.6	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.037	30%	0.303	C	S	.	.			trans	-71	118.5	-179.7	-179.3	58	-101.7	0	0	111.4	R106 T108 V147 P148 Q149 L154 L155	R106-E152 IonicContact CZ-OE1 3.99Å; R106-E152 IonicContact CZ-OE2 3.89Å; R106-E152 IonicContact NH1-OE1 2.81Å; R106-E152 PolarHBondContact NH1-OE1 2.79Å; R106-E152 IonicContact NH1-OE2 3.24Å; R106-E152 PolarHBondContact NH1-OE2 3.35Å; R106-E152 VanDerWaalsContact NH2-CD 3.29Å; R106-E152 IonicContact NH2-OE1 2.76Å; R106-E152 PolarHBondContact NH2-OE1 3.42Å; R106-E152 IonicContact NH2-OE2 2.61Å; R106-E152 PolarHBondContact NH2-OE2 2.98Å; T108-E152 HydrophobicContact CG2-CG 4.27Å; V147-E152 HydrophobicContact CG2-CB 3.98Å; V147-E152 WeakPolarHBondContact CG2-OE2 3.4Å; P148-E152 PolarHBondContact O-N 3.1Å; P148-E152 VanDerWaalsContact O-N 3.09Å; Q149-E152 PolarHBondContact O-N 3.48Å; E152-L154 WeakPolarHBondContact OE1-CA 3.24Å; E152-L154 PolarHBondContact OE1-N 2.63Å; E152-L155 PolarHBondContact OE1-N 3.18Å
153	K	95.6	Very high	96.6	Very high	71 Å²	71	58.4 Å²	58.4	31%	0.309	32%	0.317	S	S	.	.			trans	-126.9	1.8	-179.4	-59.1	-61.8	175	-175.9	0	114.2	E151 L159 D161 L262	E151-K153 PolarHBondContact O-N 3.36Å; K153-L159 HydrophobicContact CB-CD1 4.48Å; K153-L159 HydrophobicContact CD-CD1 4.25Å; K153-L159 HydrophobicContact CD-CD2 4.16Å; K153-D161 IonicContact NZ-OD1 3.87Å; K153-D161 PolarHBondContact NZ-OD1 3Å; K153-D161 IonicContact NZ-OD2 3.15Å; K153-D161 PolarHBondContact NZ-OD2 3.3Å; K153-L262 WeakPolarHBondContact O-CD1 3.26Å
154	L	97.1	Very high	96.5	Very high	38 Å²	38	56.9 Å²	56.9	20%	0.199	30%	0.303	C	S	.	.	S	Bend	trans	-124.1	-32.4	-167.6	-174.2	69.5	0	0	0	113.5	E152 F157 L263 E266	E152-L154 WeakPolarHBondContact OE1-CA 3.24Å; E152-L154 PolarHBondContact OE1-N 2.63Å; L154-F157 WeakPolarHBondContact O-CE2 3.28Å; L154-F157 WeakPolarHBondContact O-CZ 3.24Å; L154-L263 HydrophobicContact CD1-CB 4.19Å; L154-L263 HydrophobicContact CD1-CD1 4.04Å; L154-L263 HydrophobicContact CG-CD1 4.07Å; L154-E266 HydrophobicContact CD1-CB 3.95Å; L154-E266 HydrophobicContact CD1-CG 4.48Å; L154-E266 HydrophobicContact CD2-CG 4.18Å
155	L	98.5	Very high	96.4	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-121.3	-3.3	-175.6	-67	176.2	0	0	0	115.2	L42 R106 T108 E152 L263 L288 A290 T294	L42-L155 HydrophobicContact CD1-CD2 4Å; R106-L155 HydrophobicContact CB-CD1 4.39Å; R106-L155 HydrophobicContact CG-CD1 3.93Å; T108-L155 HydrophobicContact CG2-CB 3.53Å; T108-L155 WeakPolarHBondContact CG2-O 3.49Å; E152-L155 PolarHBondContact OE1-N 3.18Å; L155-L263 HydrophobicContact CD2-CD1 4.03Å; L155-L263 HydrophobicContact CD2-CD2 4.11Å; L155-L288 HydrophobicContact CD1-CB 4.42Å; L155-L288 HydrophobicContact CD1-CD2 4.21Å; L155-L288 HydrophobicContact CD2-CB 3.98Å; L155-L288 HydrophobicContact CD2-CD1 4.17Å; L155-L288 HydrophobicContact CD2-CD2 4.3Å; L155-L288 HydrophobicContact CD2-CG 4.39Å; L155-A290 HydrophobicContact CB-CB 4.19Å; L155-A290 HydrophobicContact CD2-CB 4.4Å; L155-T294 HydrophobicContact CB-CG2 4.44Å; L155-T294 HydrophobicContact CD2-CG2 4.1Å; L155-T294 WeakPolarHBondContact O-CB 3.43Å; L155-T294 VanDerWaalsContact O-CG2 3.25Å; L155-T294 WeakPolarHBondContact O-CG2 3.26Å; L155-T294 PolarHBondContact O-OG1 2.81Å
156	S	97.8	Very high	96.3	Very high	47 Å²	47	57.3 Å²	57.3	33%	0.329	30%	0.303	S	S	.	.	S	Bend	trans	-118.2	113.1	176.1	-169.1	0	0	0	0	110	L159	S156-L159 VanDerWaalsContact O-CD2 3.25Å; S156-L159 WeakPolarHBondContact O-CD2 3.46Å
157	F	97.8	Very high	96.3	Very high	7 Å²	7	57.5 Å²	57.5	3%	0.031	30%	0.3	C	S	.	.			trans	-125.4	153.2	-179.2	-63.4	-74.7	0	0	0	110.8	L154 L159 F247 Q259 L262 L263 T293 T294 A297	L154-F157 WeakPolarHBondContact O-CE2 3.28Å; L154-F157 WeakPolarHBondContact O-CZ 3.24Å; F157-L159 HydrophobicContact CD1-CG 4.08Å; F157-L159 HydrophobicContact CE1-CD1 4.32Å; F157-L159 HydrophobicContact CE1-CG 4.21Å; F157-F247 HydrophobicContact CB-CE1 4.14Å; F157-F247 HydrophobicContact CB-CZ 4.01Å; F157-Q259 HydrophobicContact CD1-CB 4.29Å; F157-Q259 WeakPolarHBondContact CE1-O 3.26Å; F157-L262 HydrophobicContact CE1-CD1 4.48Å; F157-L263 HydrophobicContact CE2-CB 4.14Å; F157-L263 HydrophobicContact CE2-CD2 4.36Å; F157-L263 HydrophobicContact CZ-CB 4.12Å; F157-T293 WeakPolarHBondContact O-CB 3.47Å; F157-T293 PolarHBondContact O-OG1 2.04Å; F157-T294 HydrophobicContact CD2-CG2 3.91Å; F157-T294 HydrophobicContact CE2-CG2 4Å; F157-A297 HydrophobicContact CB-CB 4.07Å; F157-A297 HydrophobicContact CD2-CB 3.84Å; F157-A297 HydrophobicContact CE2-CB 4.43Å; F157-A297 HydrophobicContact CG-CB 3.93Å
158	P	97.4	Very high	96.3	Very high	36 Å²	36	55.5 Å²	55.5	23%	0.234	29%	0.288	C	S	.	.	S	Bend	cis	-72.4	151.9	-4.6	32.4	-36.8	0	0	0	112.9	Y165 L246	P158-Y165 HydrophobicContact CB-CE1 3.97Å; P158-L246 HydrophobicContact CG-CD2 4.24Å
159	L	96.4	Very high	96.2	Very high	9 Å²	9	53.6 Å²	53.6	5%	0.047	27%	0.274	C	S	.	.			trans	-80.3	127.5	166.8	-61.6	-177.5	0	0	0	109.3	K153 S156 F157 Q259 L262	K153-L159 HydrophobicContact CB-CD1 4.48Å; K153-L159 HydrophobicContact CD-CD1 4.25Å; K153-L159 HydrophobicContact CD-CD2 4.16Å; S156-L159 VanDerWaalsContact O-CD2 3.25Å; S156-L159 WeakPolarHBondContact O-CD2 3.46Å; F157-L159 HydrophobicContact CD1-CG 4.08Å; F157-L159 HydrophobicContact CE1-CD1 4.32Å; F157-L159 HydrophobicContact CE1-CG 4.21Å; L159-Q259 PolarHBondContact O-NE2 2.91Å; L159-L262 HydrophobicContact CD1-CD1 3.42Å; L159-L262 VanDerWaalsContact CD1-CD1 3.42Å
160	N	90.4	Very high	96.4	Very high	143 Å²	143	51.2 Å²	51.2	77%	0.765	27%	0.265	S	S	*	.			trans	-97.7	-6.3	-174.7	-60.9	-38.5	0	0	0	113.1	C162	N160-C162 PolarHBondContact O-N 2.91Å; N160-C162 VanDerWaalsContact O-N 3.14Å
161	D	93.9	Very high	96.6	Very high	74 Å²	74	47.6 Å²	47.6	40%	0.396	25%	0.245	S	C	.	.			trans	-86.2	41.4	179.6	61.3	-54.5	0	0	0	112.7	K153 R371	K153-D161 IonicContact NZ-OD1 3.87Å; K153-D161 PolarHBondContact NZ-OD1 3Å; K153-D161 IonicContact NZ-OD2 3.15Å; K153-D161 PolarHBondContact NZ-OD2 3.3Å; D161-R371 IonicContact OD1-NH2 3.04Å; D161-R371 IonicContact OD2-NH2 2.69Å; D161-R371 PolarHBondContact OD2-NH2 2.86Å
162	C	96.8	Very high	96.7	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.027	22%	0.217	C	C	.	.			trans	-142.6	98.3	-177.6	-171.7	0	0	0	0	111.9	N160 R164 Y165 E166 C375	N160-C162 PolarHBondContact O-N 2.91Å; N160-C162 VanDerWaalsContact O-N 3.14Å; C162-R164 PolarHBondContact O-N 3.48Å; C162-Y165 WeakPolarHBondContact O-CB 3.38Å; C162-Y165 PolarHBondContact O-N 2.8Å; C162-E166 PolarHBondContact O-N 2.78Å; C162-E166 VanDerWaalsContact O-N 3.16Å; C162-C375 HydrophobicContact CB-CB 4.01Å; C162-C375 WeakPolarHBondContact CB-SG 3.44Å; C162-C375 VanDerWaalsContact SG-CA 3.57Å; C162-C375 WeakPolarHBondContact SG-CB 3.26Å; C162-C375 CovalentContact SG-SG 2.04Å; C162-C375 PolarHBondContact SG-SG 2.78Å
163	P	97.3	Very high	96.7	Very high	61 Å²	61	44.7 Å²	44.7	40%	0.396	23%	0.231	S	C	.	.	H	α-helix	trans	-57.7	-34	-179.9	-27.5	35.8	0	0	0	113.8	E166 Q167 V377	P163-E166 PolarHBondContact O-N 3.25Å; P163-Q167 PolarHBondContact O-N 3.25Å; P163-V377 HydrophobicContact CB-CG1 4.1Å; P163-V377 HydrophobicContact CB-CG2 3.81Å
164	R	97.6	Very high	96.7	Very high	33 Å²	33	47.3 Å²	47.3	13%	0.125	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-38.7	175.7	-176.6	59.5	-173.1	137.9	12.8	112.3	C162 Q167 L168 E171 E254 L258 C375 V377	C162-R164 PolarHBondContact O-N 3.48Å; R164-Q167 VanDerWaalsContact NH1-OE1 3.12Å; R164-Q167 WeakPolarHBondContact O-CB 3.5Å; R164-Q167 PolarHBondContact O-N 3.48Å; R164-L168 WeakPolarHBondContact O-CG 3.33Å; R164-L168 PolarHBondContact O-N 3.04Å; R164-E171 IonicContact CZ-OE1 3.25Å; R164-E171 IonicContact NH1-OE1 3.42Å; R164-E171 PolarHBondContact NH1-OE1 3.1Å; R164-E171 IonicContact NH2-OE1 3.58Å; R164-E254 IonicContact CZ-OE1 3.42Å; R164-E254 VanDerWaalsContact CZ-OE1 3.25Å; R164-E254 IonicContact NE-OE1 2.78Å; R164-E254 PolarHBondContact NE-OE1 2.92Å; R164-E254 IonicContact NH2-OE1 3.39Å; R164-E254 PolarHBondContact NH2-OE1 2.65Å; R164-E254 IonicContact NH2-OE2 3.2Å; R164-E254 PolarHBondContact NH2-OE2 3.24Å; R164-L258 HydrophobicContact CB-CD1 4.08Å; R164-L258 HydrophobicContact CG-CD1 3.89Å; R164-C375 PolarHBondContact N-O 3.46Å; R164-V377 HydrophobicContact CB-CG1 3.94Å
165	Y	97.8	Very high	96.8	Very high	10 Å²	10	46.3 Å²	46.3	4%	0.039	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-39.5	176.2	176.7	-102.2	0	0	0	111.6	P158 C162 Q167 L168 M169 L246 K255 Q259	P158-Y165 HydrophobicContact CB-CE1 3.97Å; C162-Y165 WeakPolarHBondContact O-CB 3.38Å; C162-Y165 PolarHBondContact O-N 2.8Å; Y165-Q167 VanDerWaalsContact C-N 3.32Å; Y165-Q167 PolarHBondContact O-N 3.17Å; Y165-L168 WeakPolarHBondContact O-CB 3.3Å; Y165-L168 PolarHBondContact O-N 2.64Å; Y165-L168 VanDerWaalsContact O-N 3.1Å; Y165-M169 HydrophobicContact CD1-CG 4.35Å; Y165-M169 HydrophobicContact CE1-CG 3.87Å; Y165-M169 HydrophobicContact CE1-SD 4.46Å; Y165-M169 HydrophobicContact CE2-CG 4.38Å; Y165-M169 HydrophobicContact CE2-SD 4.29Å; Y165-M169 PolarHBondContact O-N 2.98Å; Y165-L246 PolarHBondContact OH-O 3.21Å; Y165-K255 HydrophobicContact CD2-CG 4.41Å; Y165-K255 HydrophobicContact CE2-CB 4.45Å; Y165-K255 HydrophobicContact CE2-CG 4.28Å; Y165-Q259 HydrophobicContact CD2-CG 3.67Å; Y165-Q259 VanDerWaalsContact CD2-NE2 3.34Å; Y165-Q259 VanDerWaalsContact CE1-NE2 3.34Å; Y165-Q259 HydrophobicContact CE2-CG 3.45Å; Y165-Q259 VanDerWaalsContact CE2-CG 3.45Å; Y165-Q259 HydrophobicContact CG-CG 4.37Å
166	E	96.6	Very high	96.7	Very high	124 Å²	124	49.1 Å²	49.1	58%	0.579	27%	0.267	S	S	*	.	H	α-helix	trans	-58.5	-43.5	172.3	-171.3	-172.9	170.3	0	0	111.5	C162 P163 L168 M169 N170	C162-E166 PolarHBondContact O-N 2.78Å; C162-E166 VanDerWaalsContact O-N 3.16Å; P163-E166 PolarHBondContact O-N 3.25Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-L168 PolarHBondContact O-N 3.37Å; E166-M169 PolarHBondContact O-N 3.44Å; E166-N170 PolarHBondContact O-N 2.98Å; E166-N170 PolarHBondContact O-ND2 2.84Å
167	Q	97.4	Very high	96.7	Very high	61 Å²	61	51.9 Å²	51.9	29%	0.285	28%	0.275	S	S	.	.	H	α-helix	trans	-60.3	-41.1	172.7	-72.4	-177.2	-9.2	0	0	112.6	P163 R164 Y165 M169 N170 E171 V377	P163-Q167 PolarHBondContact O-N 3.25Å; R164-Q167 VanDerWaalsContact NH1-OE1 3.12Å; R164-Q167 WeakPolarHBondContact O-CB 3.5Å; R164-Q167 PolarHBondContact O-N 3.48Å; Y165-Q167 VanDerWaalsContact C-N 3.32Å; Y165-Q167 PolarHBondContact O-N 3.17Å; Q167-M169 VanDerWaalsContact C-N 3.31Å; Q167-M169 PolarHBondContact O-N 3.11Å; Q167-N170 PolarHBondContact O-N 2.85Å; Q167-E171 WeakPolarHBondContact O-CB 3.47Å; Q167-E171 VanDerWaalsContact O-CG 3.31Å; Q167-E171 WeakPolarHBondContact O-CG 3.29Å; Q167-E171 PolarHBondContact O-N 3.16Å; Q167-V377 VanDerWaalsContact CD-CG1 3.46Å; Q167-V377 HydrophobicContact CG-CG1 4.32Å
168	L	97.8	Very high	96.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-37.4	177.2	-71.4	172.3	0	0	0	112.1	R164 Y165 E166 E171 T172 Y250 K251 E254 K255 L258	R164-L168 WeakPolarHBondContact O-CG 3.33Å; R164-L168 PolarHBondContact O-N 3.04Å; Y165-L168 WeakPolarHBondContact O-CB 3.3Å; Y165-L168 PolarHBondContact O-N 2.64Å; Y165-L168 VanDerWaalsContact O-N 3.1Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-L168 PolarHBondContact O-N 3.37Å; L168-E171 PolarHBondContact O-N 2.72Å; L168-T172 WeakPolarHBondContact O-CB 3.3Å; L168-T172 PolarHBondContact O-N 2.71Å; L168-T172 PolarHBondContact O-OG1 3.35Å; L168-Y250 HydrophobicContact CD2-CE1 4.19Å; L168-K251 HydrophobicContact CD2-CB 4.11Å; L168-K251 HydrophobicContact CD2-CD 3.81Å; L168-E254 HydrophobicContact CD1-CB 4.07Å; L168-E254 HydrophobicContact CD1-CG 3.86Å; L168-K255 HydrophobicContact CB-CG 4.19Å; L168-K255 HydrophobicContact CD1-CG 3.88Å; L168-L258 HydrophobicContact CD1-CD1 3.88Å
169	M	97	Very high	96.6	Very high	18 Å²	18	54.7 Å²	54.7	9%	0.089	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-47.6	173.6	-69	-54.9	-60.1	0	0	110.9	Y165 E166 Q167 E171 T172 E173 L246	Y165-M169 HydrophobicContact CD1-CG 4.35Å; Y165-M169 HydrophobicContact CE1-CG 3.87Å; Y165-M169 HydrophobicContact CE1-SD 4.46Å; Y165-M169 HydrophobicContact CE2-CG 4.38Å; Y165-M169 HydrophobicContact CE2-SD 4.29Å; Y165-M169 PolarHBondContact O-N 2.98Å; E166-M169 PolarHBondContact O-N 3.44Å; Q167-M169 VanDerWaalsContact C-N 3.31Å; Q167-M169 PolarHBondContact O-N 3.11Å; M169-E171 VanDerWaalsContact C-N 3.33Å; M169-E171 PolarHBondContact O-N 2.96Å; M169-T172 WeakPolarHBondContact O-CA 3.43Å; M169-T172 VanDerWaalsContact O-CB 3.22Å; M169-T172 WeakPolarHBondContact O-CB 3.47Å; M169-T172 PolarHBondContact O-N 3.38Å; M169-E173 PolarHBondContact O-N 2.72Å; M169-E173 VanDerWaalsContact O-N 3.1Å; M169-L246 HydrophobicContact CE-CD2 4.23Å
170	N	96.3	Very high	96.7	Very high	78 Å²	78	59.3 Å²	59.3	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-60.1	-40.1	174.7	-65.8	-28.9	0	0	0	112.6	E166 Q167 T172 E173 N174	E166-N170 PolarHBondContact O-N 2.98Å; E166-N170 PolarHBondContact O-ND2 2.84Å; Q167-N170 PolarHBondContact O-N 2.85Å; N170-T172 VanDerWaalsContact C-N 3.29Å; N170-T172 PolarHBondContact O-N 2.78Å; N170-E173 PolarHBondContact O-N 3.31Å; N170-N174 PolarHBondContact O-ND2 3.38Å
171	E	97.6	Very high	97	Very high	53 Å²	53	53.4 Å²	53.4	25%	0.248	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-35.5	173.8	-73.1	172.8	-137.4	0	0	110.9	R164 Q167 L168 M169 E173 N174 Y250 K251	R164-E171 IonicContact CZ-OE1 3.25Å; R164-E171 IonicContact NH1-OE1 3.42Å; R164-E171 PolarHBondContact NH1-OE1 3.1Å; R164-E171 IonicContact NH2-OE1 3.58Å; Q167-E171 WeakPolarHBondContact O-CB 3.47Å; Q167-E171 VanDerWaalsContact O-CG 3.31Å; Q167-E171 WeakPolarHBondContact O-CG 3.29Å; Q167-E171 PolarHBondContact O-N 3.16Å; L168-E171 PolarHBondContact O-N 2.72Å; M169-E171 VanDerWaalsContact C-N 3.33Å; M169-E171 PolarHBondContact O-N 2.96Å; E171-E173 PolarHBondContact O-N 2.75Å; E171-N174 PolarHBondContact O-N 3.3Å; E171-Y250 HydrophobicContact CB-CD1 3.91Å; E171-Y250 HydrophobicContact CB-CE1 3.33Å; E171-Y250 HydrophobicContact CG-CE1 4.16Å; E171-Y250 WeakPolarHBondContact OE2-CE1 3.32Å; E171-Y250 VanDerWaalsContact OE2-CZ 3.28Å; E171-Y250 PolarHBondContact OE2-OH 3.39Å; E171-K251 IonicContact OE2-NZ 3.97Å; E171-K251 PolarHBondContact OE2-NZ 3.16Å
172	T	97.4	Very high	97.1	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-39	177.8	-54	0	0	0	0	111.7	L168 M169 N170 N174 T175 F178 L245 V249 K255	L168-T172 WeakPolarHBondContact O-CB 3.3Å; L168-T172 PolarHBondContact O-N 2.71Å; L168-T172 PolarHBondContact O-OG1 3.35Å; M169-T172 WeakPolarHBondContact O-CA 3.43Å; M169-T172 VanDerWaalsContact O-CB 3.22Å; M169-T172 WeakPolarHBondContact O-CB 3.47Å; M169-T172 PolarHBondContact O-N 3.38Å; N170-T172 VanDerWaalsContact C-N 3.29Å; N170-T172 PolarHBondContact O-N 2.78Å; T172-N174 PolarHBondContact O-N 3.36Å; T172-N174 VanDerWaalsContact O-N 3.15Å; T172-T175 WeakPolarHBondContact O-CB 3.32Å; T172-T175 WeakPolarHBondContact O-CG2 3.05Å; T172-T175 PolarHBondContact O-N 2.86Å; T172-T175 PolarHBondContact O-OG1 2.84Å; T172-F178 WeakPolarHBondContact O-CB 3.31Å; T172-L245 HydrophobicContact CG2-CD2 3.65Å; T172-V249 HydrophobicContact CG2-CB 4.33Å; T172-V249 HydrophobicContact CG2-CG1 4.21Å; T172-K255 WeakPolarHBondContact OG1-CE 3.45Å; T172-K255 PolarHBondContact OG1-NZ 3.44Å
173	E	95.7	Very high	97.2	Very high	69 Å²	69	56.3 Å²	56.3	32%	0.322	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-21.8	177	-66.4	-179.7	-158.3	0	0	113.3	M169 N170 E171 F178	M169-E173 PolarHBondContact O-N 2.72Å; M169-E173 VanDerWaalsContact O-N 3.1Å; N170-E173 PolarHBondContact O-N 3.31Å; E171-E173 PolarHBondContact O-N 2.75Å; E173-F178 HydrophobicContact CB-CD1 4.11Å; E173-F178 HydrophobicContact CB-CE1 3.96Å; E173-F178 HydrophobicContact CB-CG 4.49Å; E173-F178 HydrophobicContact CB-CZ 4.22Å; E173-F178 HydrophobicContact CG-CD2 4.5Å; E173-F178 HydrophobicContact CG-CE1 4.08Å; E173-F178 HydrophobicContact CG-CE2 4.05Å; E173-F178 HydrophobicContact CG-CZ 3.81Å; E173-F178 WeakPolarHBondContact O-CD1 3.27Å
174	N	96.6	Very high	97.2	Very high	127 Å²	127	60.9 Å²	60.9	68%	0.679	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	0.7	178.1	-66.3	-68.1	0	0	0	113.5	N170 E171 T172	N170-N174 PolarHBondContact O-ND2 3.38Å; E171-N174 PolarHBondContact O-N 3.3Å; T172-N174 PolarHBondContact O-N 3.36Å; T172-N174 VanDerWaalsContact O-N 3.15Å
175	T	97.9	Very high	97.2	Very high	17 Å²	17	60.6 Å²	60.6	10%	0.104	31%	0.313	C	S	.	.	S	Bend	trans	-75.5	153.2	177.6	60.9	0	0	0	0	112.4	T172 E177 F178 I179 Y250	T172-T175 WeakPolarHBondContact O-CB 3.32Å; T172-T175 WeakPolarHBondContact O-CG2 3.05Å; T172-T175 PolarHBondContact O-N 2.86Å; T172-T175 PolarHBondContact O-OG1 2.84Å; T175-E177 WeakPolarHBondContact CB-OE2 3.46Å; T175-E177 PolarHBondContact O-N 2.72Å; T175-F178 PolarHBondContact O-N 3.22Å; T175-F178 PolarHBondContact OG1-N 3.37Å; T175-I179 VanDerWaalsContact O-CG1 3.3Å; T175-I179 WeakPolarHBondContact O-CG1 3.27Å; T175-I179 PolarHBondContact O-N 2.81Å; T175-Y250 HydrophobicContact CG2-CD2 3.66Å; T175-Y250 HydrophobicContact CG2-CG 3.96Å
176	A	97.8	Very high	97.2	Very high	58 Å²	58	68.5 Å²	68.5	48%	0.479	34%	0.343	S	S	.	.	H	α-helix	trans	-60.3	-37.7	176.6	0	0	0	0	0	111.2	I179 N180	A176-I179 PolarHBondContact O-N 3.46Å; A176-N180 WeakPolarHBondContact O-CB 3.42Å; A176-N180 PolarHBondContact O-N 2.99Å; A176-N180 PolarHBondContact O-ND2 3.43Å; A176-N180 VanDerWaalsContact O-ND2 3.15Å
177	E	96.4	Very high	97.3	Very high	106 Å²	106	68.5 Å²	68.5	50%	0.495	35%	0.347	S	S	.	.	H	α-helix	trans	-58.3	-50.7	177.1	-67.4	79.2	179.8	0	0	111.4	T175 V181 V249	T175-E177 WeakPolarHBondContact CB-OE2 3.46Å; T175-E177 PolarHBondContact O-N 2.72Å; E177-V181 WeakPolarHBondContact O-CG2 3.36Å; E177-V181 PolarHBondContact O-N 2.81Å; E177-V181 VanDerWaalsContact O-N 3.15Å; E177-V249 HydrophobicContact CB-CG1 3.96Å; E177-V249 HydrophobicContact CG-CG1 4.33Å
178	F	96.9	Very high	97.3	Very high	23 Å²	23	66.7 Å²	66.7	10%	0.101	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-47.4	178.1	-176.9	-86.9	0	0	0	112	T172 E173 T175 N180 V181 T182 V203 E204 F241 L245	T172-F178 WeakPolarHBondContact O-CB 3.31Å; E173-F178 HydrophobicContact CB-CD1 4.11Å; E173-F178 HydrophobicContact CB-CE1 3.96Å; E173-F178 HydrophobicContact CB-CG 4.49Å; E173-F178 HydrophobicContact CB-CZ 4.22Å; E173-F178 HydrophobicContact CG-CD2 4.5Å; E173-F178 HydrophobicContact CG-CE1 4.08Å; E173-F178 HydrophobicContact CG-CE2 4.05Å; E173-F178 HydrophobicContact CG-CZ 3.81Å; E173-F178 WeakPolarHBondContact O-CD1 3.27Å; T175-F178 PolarHBondContact O-N 3.22Å; T175-F178 PolarHBondContact OG1-N 3.37Å; F178-N180 VanDerWaalsContact C-N 3.33Å; F178-N180 PolarHBondContact O-N 3.05Å; F178-V181 PolarHBondContact O-N 3.49Å; F178-T182 WeakPolarHBondContact CE1-OG1 3.4Å; F178-T182 VanDerWaalsContact O-CB 3.3Å; F178-T182 WeakPolarHBondContact O-CB 3.37Å; F178-T182 PolarHBondContact O-N 3.31Å; F178-T182 PolarHBondContact O-OG1 3.42Å; F178-V203 HydrophobicContact CE2-CB 4.42Å; F178-E204 HydrophobicContact CE2-CG 4.4Å; F178-F241 HydrophobicContact CD2-CE1 4.47Å; F178-L245 HydrophobicContact CB-CD2 4.49Å; F178-L245 HydrophobicContact CD2-CD1 3.63Å; F178-L245 HydrophobicContact CD2-CD2 3.85Å; F178-L245 HydrophobicContact CD2-CG 4.41Å; F178-L245 HydrophobicContact CE2-CD1 3.79Å
179	I	97.6	Very high	97.3	Very high	79 Å²	79	67.3 Å²	67.3	41%	0.405	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-42.6	-178.9	-67.9	167.6	0	0	0	110.6	T175 A176 T182 T183	T175-I179 VanDerWaalsContact O-CG1 3.3Å; T175-I179 WeakPolarHBondContact O-CG1 3.27Å; T175-I179 PolarHBondContact O-N 2.81Å; A176-I179 PolarHBondContact O-N 3.46Å; I179-T182 PolarHBondContact O-N 2.99Å; I179-T183 VanDerWaalsContact O-CB 3.24Å; I179-T183 WeakPolarHBondContact O-CB 3.44Å; I179-T183 PolarHBondContact O-N 3.42Å; I179-T183 PolarHBondContact O-OG1 2.87Å
180	N	97.9	Very high	97.4	Very high	106 Å²	106	71.8 Å²	71.8	57%	0.567	36%	0.362	S	S	*	.	H	α-helix	trans	-64.2	-45.7	180	-73.5	-18.2	0	0	0	111.7	A176 F178 K184	A176-N180 WeakPolarHBondContact O-CB 3.42Å; A176-N180 PolarHBondContact O-N 2.99Å; A176-N180 PolarHBondContact O-ND2 3.43Å; A176-N180 VanDerWaalsContact O-ND2 3.15Å; F178-N180 VanDerWaalsContact C-N 3.33Å; F178-N180 PolarHBondContact O-N 3.05Å; N180-K184 WeakPolarHBondContact O-CB 3.36Å; N180-K184 PolarHBondContact O-N 3.27Å
181	V	97.2	Very high	97.5	Very high	19 Å²	19	70.7 Å²	70.7	12%	0.115	36%	0.355	C	S	.	.	H	α-helix	trans	-66.1	-46.7	177.1	173.3	0	0	0	0	110.7	E177 F178 T183 K184 Y185 V203 F237 L238 F241	E177-V181 WeakPolarHBondContact O-CG2 3.36Å; E177-V181 PolarHBondContact O-N 2.81Å; E177-V181 VanDerWaalsContact O-N 3.15Å; F178-V181 PolarHBondContact O-N 3.49Å; V181-T183 VanDerWaalsContact C-N 3.3Å; V181-T183 PolarHBondContact O-N 3.37Å; V181-K184 PolarHBondContact O-N 3.41Å; V181-Y185 HydrophobicContact CG1-CD2 3.85Å; V181-Y185 HydrophobicContact CG1-CE2 4.23Å; V181-Y185 WeakPolarHBondContact O-CD2 3.35Å; V181-Y185 PolarHBondContact O-N 3Å; V181-V203 HydrophobicContact CG1-CG2 4.48Å; V181-F237 HydrophobicContact CG1-CE1 4.12Å; V181-L238 HydrophobicContact CG1-CD2 3.8Å; V181-F241 HydrophobicContact CB-CD1 4.07Å; V181-F241 HydrophobicContact CB-CE1 3.6Å; V181-F241 HydrophobicContact CB-CZ 3.94Å; V181-F241 HydrophobicContact CG1-CD1 3.61Å; V181-F241 HydrophobicContact CG1-CE1 3.67Å; V181-F241 HydrophobicContact CG1-CG 4.28Å; V181-F241 HydrophobicContact CG1-CZ 4.4Å; V181-F241 HydrophobicContact CG2-CD1 4.21Å; V181-F241 HydrophobicContact CG2-CD2 4.33Å; V181-F241 HydrophobicContact CG2-CE1 3.81Å; V181-F241 HydrophobicContact CG2-CE2 3.96Å; V181-F241 HydrophobicContact CG2-CG 4.44Å; V181-F241 HydrophobicContact CG2-CZ 3.68Å
182	T	95.9	Very high	97.5	Very high	46 Å²	46	68.1 Å²	68.1	28%	0.282	34%	0.343	S	S	.	.	H	α-helix	trans	-59.7	-42	179.2	-58.9	0	0	0	0	111.6	F178 I179 R186 V203	F178-T182 WeakPolarHBondContact CE1-OG1 3.4Å; F178-T182 VanDerWaalsContact O-CB 3.3Å; F178-T182 WeakPolarHBondContact O-CB 3.37Å; F178-T182 PolarHBondContact O-N 3.31Å; F178-T182 PolarHBondContact O-OG1 3.42Å; I179-T182 PolarHBondContact O-N 2.99Å; T182-R186 PolarHBondContact O-N 3.48Å; T182-R186 VanDerWaalsContact O-N 3.12Å; T182-V203 HydrophobicContact CG2-CG2 4.43Å; T182-V203 WeakPolarHBondContact OG1-CG2 3.4Å
183	T	97.8	Very high	97.5	Very high	92 Å²	92	71.7 Å²	71.7	56%	0.564	36%	0.358	S	S	*	.	H	α-helix	trans	-67.6	-46.5	177.4	-57.2	0	0	0	0	111.3	I179 V181 Y185 R186	I179-T183 VanDerWaalsContact O-CB 3.24Å; I179-T183 WeakPolarHBondContact O-CB 3.44Å; I179-T183 PolarHBondContact O-N 3.42Å; I179-T183 PolarHBondContact O-OG1 2.87Å; V181-T183 VanDerWaalsContact C-N 3.3Å; V181-T183 PolarHBondContact O-N 3.37Å; T183-Y185 VanDerWaalsContact C-N 3.31Å; T183-Y185 PolarHBondContact O-N 3.08Å; T183-R186 WeakPolarHBondContact O-CB 3.37Å; T183-R186 PolarHBondContact O-N 3.44Å
184	K	98.3	Very high	97.6	Very high	157 Å²	157	73.9 Å²	73.9	68%	0.683	37%	0.372	S	S	*	.	H	α-helix	trans	-60.7	-37.7	-179.3	178.4	176.2	177.3	178.7	0	112.9	N180 V181	N180-K184 WeakPolarHBondContact O-CB 3.36Å; N180-K184 PolarHBondContact O-N 3.27Å; V181-K184 PolarHBondContact O-N 3.41Å
185	Y	98.1	Very high	97.7	Very high	28 Å²	28	73 Å²	73	11%	0.11	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	12.6	-176.1	-68.5	-83.8	0	0	0	113.6	V181 T183 D187 F188 I189 K234 F237 L238	V181-Y185 HydrophobicContact CG1-CD2 3.85Å; V181-Y185 HydrophobicContact CG1-CE2 4.23Å; V181-Y185 WeakPolarHBondContact O-CD2 3.35Å; V181-Y185 PolarHBondContact O-N 3Å; T183-Y185 VanDerWaalsContact C-N 3.31Å; T183-Y185 PolarHBondContact O-N 3.08Å; Y185-D187 PolarHBondContact O-N 2.94Å; Y185-F188 HydrophobicContact CD1-CB 4.44Å; Y185-F188 HydrophobicContact CD1-CD1 4.33Å; Y185-F188 WeakPolarHBondContact O-CB 3.4Å; Y185-F188 PolarHBondContact O-N 3.08Å; Y185-I189 WeakPolarHBondContact O-CG1 3.48Å; Y185-I189 PolarHBondContact O-N 3.4Å; Y185-K234 HydrophobicContact CE1-CB 4.33Å; Y185-K234 HydrophobicContact CE1-CG 4.08Å; Y185-F237 HydrophobicContact CD2-CE1 4.27Å; Y185-F237 HydrophobicContact CE1-CD1 4.43Å; Y185-F237 AromaticContact CE2-CD1 3.64Å; Y185-F237 HydrophobicContact CE2-CD1 3.64Å; Y185-F237 AromaticContact CE2-CE1 3.35Å; Y185-F237 HydrophobicContact CE2-CE1 3.35Å; Y185-F237 HydrophobicContact CE2-CZ 4.3Å; Y185-F237 AromaticContact CZ-CD1 3.56Å; Y185-F237 AromaticContact CZ-CE1 3.73Å; Y185-F237 WeakPolarHBondContact OH-CD1 3.47Å; Y185-L238 HydrophobicContact CD1-CD1 4.41Å; Y185-L238 HydrophobicContact CD1-CD2 4.44Å; Y185-L238 HydrophobicContact CD1-CG 4.5Å; Y185-L238 HydrophobicContact CD2-CD2 3.8Å; Y185-L238 HydrophobicContact CE2-CD2 4.35Å; Y185-L238 HydrophobicContact CG-CD1 4.35Å; Y185-L238 HydrophobicContact CG-CD2 3.84Å; Y185-L238 HydrophobicContact CG-CG 4.35Å
186	R	97.5	Very high	97.7	Very high	175 Å²	175	72.1 Å²	72.1	66%	0.66	36%	0.357	S	S	*	.	H	α-helix	trans	-52.7	-56.3	-176.9	-171.7	-174.4	-142.2	163.7	6.9	112.6	T182 T183 F188 I189 E190	T182-R186 PolarHBondContact O-N 3.48Å; T182-R186 VanDerWaalsContact O-N 3.12Å; T183-R186 WeakPolarHBondContact O-CB 3.37Å; T183-R186 PolarHBondContact O-N 3.44Å; R186-F188 VanDerWaalsContact C-N 3.25Å; R186-F188 PolarHBondContact O-N 2.9Å; R186-I189 PolarHBondContact O-N 2.95Å; R186-E190 PolarHBondContact O-N 3.08Å
187	D	98.2	Very high	97.6	Very high	125 Å²	125	71.3 Å²	71.3	67%	0.668	35%	0.354	S	S	*	.	H	α-helix	trans	-65	-33.9	-177.1	-57	-10.5	0	0	0	111.3	Y185 M191	Y185-D187 PolarHBondContact O-N 2.94Å; D187-M191 WeakPolarHBondContact O-CB 3.45Å; D187-M191 PolarHBondContact O-N 3.24Å
188	F	98.4	Very high	97.6	Very high	23 Å²	23	68.1 Å²	68.1	10%	0.101	34%	0.34	C	S	.	.	H	α-helix	trans	-66.7	-45.9	175.3	177	-102	0	0	0	111.9	Y185 R186 E190 M191 V192 V231 K234 L235 L238	Y185-F188 HydrophobicContact CD1-CB 4.44Å; Y185-F188 HydrophobicContact CD1-CD1 4.33Å; Y185-F188 WeakPolarHBondContact O-CB 3.4Å; Y185-F188 PolarHBondContact O-N 3.08Å; R186-F188 VanDerWaalsContact C-N 3.25Å; R186-F188 PolarHBondContact O-N 2.9Å; F188-E190 VanDerWaalsContact C-N 3.31Å; F188-E190 PolarHBondContact O-N 3.18Å; F188-M191 HydrophobicContact CD2-CE 3.66Å; F188-M191 HydrophobicContact CE2-CE 3.56Å; F188-M191 HydrophobicContact CZ-CE 4.46Å; F188-M191 WeakPolarHBondContact O-CB 3.34Å; F188-M191 PolarHBondContact O-N 3.42Å; F188-V192 HydrophobicContact CD1-CG2 4.33Å; F188-V192 HydrophobicContact CE1-CG2 3.89Å; F188-V192 HydrophobicContact CE2-CG2 4.25Å; F188-V192 HydrophobicContact CZ-CG2 3.85Å; F188-V192 WeakPolarHBondContact O-CG2 3.17Å; F188-V192 PolarHBondContact O-N 3.46Å; F188-V231 HydrophobicContact CE2-CB 4.37Å; F188-V231 HydrophobicContact CE2-CG1 4.15Å; F188-V231 HydrophobicContact CE2-CG2 4.18Å; F188-V231 HydrophobicContact CZ-CG1 4.16Å; F188-K234 HydrophobicContact CD1-CB 4.21Å; F188-K234 HydrophobicContact CD2-CB 4.38Å; F188-K234 HydrophobicContact CD2-CD 3.75Å; F188-K234 HydrophobicContact CE1-CB 3.67Å; F188-K234 HydrophobicContact CE2-CB 3.85Å; F188-K234 HydrophobicContact CE2-CD 3.77Å; F188-K234 HydrophobicContact CE2-CG 4.46Å; F188-K234 HydrophobicContact CG-CD 4.23Å; F188-K234 HydrophobicContact CZ-CB 3.46Å; F188-K234 VanDerWaalsContact CZ-CB 3.46Å; F188-K234 HydrophobicContact CZ-CD 4.27Å; F188-L235 HydrophobicContact CE1-CD2 4.05Å; F188-L235 HydrophobicContact CE1-CG 4.3Å; F188-L235 HydrophobicContact CZ-CD2 4.13Å; F188-L235 HydrophobicContact CZ-CG 3.97Å; F188-L238 HydrophobicContact CD1-CD1 3.76Å; F188-L238 HydrophobicContact CE1-CD1 3.82Å
189	I	97.8	Very high	97.5	Very high	12 Å²	12	77 Å²	77	6%	0.062	38%	0.379	C	S	.	.	H	α-helix	trans	-64.8	-38.5	177.6	-68.6	166.9	0	0	0	110.4	Y185 R186 V192 K193 A201 V203 L238	Y185-I189 WeakPolarHBondContact O-CG1 3.48Å; Y185-I189 PolarHBondContact O-N 3.4Å; R186-I189 PolarHBondContact O-N 2.95Å; I189-V192 PolarHBondContact O-N 3.25Å; I189-K193 WeakPolarHBondContact O-CB 3.34Å; I189-K193 PolarHBondContact O-N 2.03Å; I189-A201 HydrophobicContact CG2-CB 3.87Å; I189-A201 WeakPolarHBondContact CG2-O 3.2Å; I189-V203 HydrophobicContact CD1-CG2 3.71Å; I189-L238 HydrophobicContact CD1-CD1 4.25Å; I189-L238 HydrophobicContact CG1-CD1 3.94Å
190	E	97.9	Very high	97.2	Very high	112 Å²	112	76.6 Å²	76.6	52%	0.523	39%	0.388	S	S	.	.	H	α-helix	trans	-64.3	-43	174.2	-177.1	165.4	-151.5	0	0	112	R186 F188 V192 K193 N194	R186-E190 PolarHBondContact O-N 3.08Å; F188-E190 VanDerWaalsContact C-N 3.31Å; F188-E190 PolarHBondContact O-N 3.18Å; E190-V192 PolarHBondContact O-N 3.1Å; E190-K193 WeakPolarHBondContact O-CB 3.49Å; E190-K193 PolarHBondContact O-N 2.78Å; E190-N194 VanDerWaalsContact O-CG 3.27Å; E190-N194 PolarHBondContact O-N 3.4Å; E190-N194 PolarHBondContact O-ND2 2.98Å
191	M	98.1	Very high	97	Very high	55 Å²	55	72.6 Å²	72.6	27%	0.271	37%	0.369	S	S	.	.	H	α-helix	trans	-57.9	-48.6	172	179.9	-77.6	-65.4	0	0	111.1	D187 F188 K193 N194 K195 W226 V231	D187-M191 WeakPolarHBondContact O-CB 3.45Å; D187-M191 PolarHBondContact O-N 3.24Å; F188-M191 HydrophobicContact CD2-CE 3.66Å; F188-M191 HydrophobicContact CE2-CE 3.56Å; F188-M191 HydrophobicContact CZ-CE 4.46Å; F188-M191 WeakPolarHBondContact O-CB 3.34Å; F188-M191 PolarHBondContact O-N 3.42Å; M191-K193 VanDerWaalsContact C-N 3.35Å; M191-K193 PolarHBondContact O-N 3.24Å; M191-N194 PolarHBondContact O-N 3.34Å; M191-K195 HydrophobicContact CG-CG 4.35Å; M191-K195 WeakPolarHBondContact O-CB 3.33Å; M191-K195 WeakPolarHBondContact O-CG 3.35Å; M191-K195 PolarHBondContact O-N 2.95Å; M191-K195 HydrophobicContact SD-CB 4.39Å; M191-K195 HydrophobicContact SD-CG 3.62Å; M191-W226 HydrophobicContact CE-CE3 4.42Å; M191-W226 HydrophobicContact SD-CE3 4.07Å; M191-V231 HydrophobicContact CE-CG2 4.27Å
192	V	98	Very high	96.8	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-59.4	-45.7	177.9	171.3	0	0	0	0	110.6	F188 I189 E190 N194 K195 T196 V206 V209 W226 L235	F188-V192 HydrophobicContact CD1-CG2 4.33Å; F188-V192 HydrophobicContact CE1-CG2 3.89Å; F188-V192 HydrophobicContact CE2-CG2 4.25Å; F188-V192 HydrophobicContact CZ-CG2 3.85Å; F188-V192 WeakPolarHBondContact O-CG2 3.17Å; F188-V192 PolarHBondContact O-N 3.46Å; I189-V192 PolarHBondContact O-N 3.25Å; E190-V192 PolarHBondContact O-N 3.1Å; V192-N194 VanDerWaalsContact C-N 3.33Å; V192-N194 PolarHBondContact O-N 3.43Å; V192-K195 PolarHBondContact O-N 2.69Å; V192-T196 HydrophobicContact CG1-CG2 3.91Å; V192-T196 VanDerWaalsContact O-CB 3.26Å; V192-T196 WeakPolarHBondContact O-CB 3.22Å; V192-T196 WeakPolarHBondContact O-CG2 3.48Å; V192-T196 PolarHBondContact O-N 3.04Å; V192-T196 PolarHBondContact O-OG1 3.06Å; V192-V206 HydrophobicContact CG1-CG2 4.11Å; V192-V209 HydrophobicContact CG1-CB 4.32Å; V192-V209 HydrophobicContact CG1-CG1 4.08Å; V192-V209 HydrophobicContact CG1-CG2 3.93Å; V192-W226 HydrophobicContact CG2-CZ3 4.34Å; V192-L235 HydrophobicContact CG2-CD2 4.12Å
193	K	97.7	Very high	96.5	Very high	77 Å²	77	73 Å²	73	34%	0.335	37%	0.369	S	S	.	.	H	α-helix	trans	-54.5	-49.8	175.9	-175.5	-170.1	167.9	-175.9	0	111.5	I189 E190 M191 T196 G197 L198 K199 A201	I189-K193 WeakPolarHBondContact O-CB 3.34Å; I189-K193 PolarHBondContact O-N 2.03Å; E190-K193 WeakPolarHBondContact O-CB 3.49Å; E190-K193 PolarHBondContact O-N 2.78Å; M191-K193 VanDerWaalsContact C-N 3.35Å; M191-K193 PolarHBondContact O-N 3.24Å; K193-T196 PolarHBondContact O-N 3.28Å; K193-T196 PolarHBondContact O-OG1 3.3Å; K193-G197 PolarHBondContact O-N 3.03Å; K193-L198 VanDerWaalsContact CG-O 3.24Å; K193-L198 WeakPolarHBondContact CG-O 3.17Å; K193-L198 PolarHBondContact O-N 2.94Å; K193-K199 WeakPolarHBondContact CE-O 3.39Å; K193-K199 PolarHBondContact NZ-O 3.15Å; K193-A201 HydrophobicContact CB-CB 3.86Å; K193-A201 HydrophobicContact CG-CB 4.28Å
194	N	98.1	Very high	96	Very high	114 Å²	114	71.7 Å²	71.7	61%	0.61	36%	0.356	S	S	*	.	H	α-helix	trans	-66.6	-39.4	-177.8	-68.4	-19.9	0	0	0	112.1	E190 M191 V192	E190-N194 VanDerWaalsContact O-CG 3.27Å; E190-N194 PolarHBondContact O-N 3.4Å; E190-N194 PolarHBondContact O-ND2 2.98Å; M191-N194 PolarHBondContact O-N 3.34Å; V192-N194 VanDerWaalsContact C-N 3.33Å; V192-N194 PolarHBondContact O-N 3.43Å
195	K	97.9	Very high	95.6	Very high	108 Å²	108	65.9 Å²	65.9	47%	0.47	34%	0.336	S	S	.	.	H	α-helix	trans	-73.7	-29.1	179	-70.6	-62.4	-174.2	178.8	0	113.7	T56 M191 V192 W226	T56-K195 PolarHBondContact OG1-O 3.43Å; M191-K195 HydrophobicContact CG-CG 4.35Å; M191-K195 WeakPolarHBondContact O-CB 3.33Å; M191-K195 WeakPolarHBondContact O-CG 3.35Å; M191-K195 PolarHBondContact O-N 2.95Å; M191-K195 HydrophobicContact SD-CB 4.39Å; M191-K195 HydrophobicContact SD-CG 3.62Å; V192-K195 PolarHBondContact O-N 2.69Å; K195-W226 HydrophobicContact CB-CD2 3.8Å; K195-W226 HydrophobicContact CB-CE3 4.28Å; K195-W226 HydrophobicContact CB-CG 4.06Å; K195-W226 HydrophobicContact CB-CZ2 4.22Å; K195-W226 HydrophobicContact CD-CB 4.09Å; K195-W226 HydrophobicContact CD-CG 3.97Å; K195-W226 HydrophobicContact CG-CB 4.27Å; K195-W226 HydrophobicContact CG-CD2 4Å; K195-W226 HydrophobicContact CG-CE3 4.39Å; K195-W226 HydrophobicContact CG-CG 3.91Å
196	T	97.5	Very high	95.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-92.4	-22	-175.9	56.2	0	0	0	0	113.2	F54 P55 T56 V192 K193 L198 V209 W226	F54-T196 HydrophobicContact CB-CG2 4.27Å; F54-T196 HydrophobicContact CD1-CG2 4.23Å; F54-T196 HydrophobicContact CD2-CG2 3.78Å; F54-T196 HydrophobicContact CE2-CG2 4.16Å; F54-T196 HydrophobicContact CG-CG2 3.82Å; P55-T196 VanDerWaalsContact CD-O 3.31Å; P55-T196 WeakPolarHBondContact CD-O 3.31Å; T56-T196 PolarHBondContact N-O 3.48Å; T56-T196 VanDerWaalsContact N-O 3.16Å; T56-T196 WeakPolarHBondContact OG1-CA 3.35Å; T56-T196 PolarHBondContact OG1-O 2.93Å; V192-T196 HydrophobicContact CG1-CG2 3.91Å; V192-T196 VanDerWaalsContact O-CB 3.26Å; V192-T196 WeakPolarHBondContact O-CB 3.22Å; V192-T196 WeakPolarHBondContact O-CG2 3.48Å; V192-T196 PolarHBondContact O-N 3.04Å; V192-T196 PolarHBondContact O-OG1 3.06Å; K193-T196 PolarHBondContact O-N 3.28Å; K193-T196 PolarHBondContact O-OG1 3.3Å; T196-L198 VanDerWaalsContact C-N 3.31Å; T196-L198 WeakPolarHBondContact OG1-CD1 3.4Å; T196-L198 WeakPolarHBondContact OG1-CG 3.4Å; T196-V209 HydrophobicContact CG2-CG1 3.83Å; T196-V209 HydrophobicContact CG2-CG2 3.9Å; T196-W226 HydrophobicContact CG2-CH2 4.09Å; T196-W226 HydrophobicContact CG2-CZ2 3.96Å
197	G	96.8	Very high	95.3	Very high	40 Å²	40	60.9 Å²	60.9	41%	0.412	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	13.7	-174.3	0	0	0	0	0	113.6	K193	K193-G197 PolarHBondContact O-N 3.03Å
198	L	95.9	Very high	95.2	Very high	40 Å²	40	55.6 Å²	55.6	21%	0.209	29%	0.29	C	S	.	.			trans	-67.6	137.7	177.1	-69.8	172.7	0	0	0	111.2	F54 K193 T196 A200 V209	F54-L198 HydrophobicContact CB-CD2 4.43Å; F54-L198 HydrophobicContact CB-CG 4.5Å; K193-L198 VanDerWaalsContact CG-O 3.24Å; K193-L198 WeakPolarHBondContact CG-O 3.17Å; K193-L198 PolarHBondContact O-N 2.94Å; T196-L198 VanDerWaalsContact C-N 3.31Å; T196-L198 WeakPolarHBondContact OG1-CD1 3.4Å; T196-L198 WeakPolarHBondContact OG1-CG 3.4Å; L198-A200 VanDerWaalsContact C-N 3.27Å; L198-A200 PolarHBondContact O-N 2.93Å; L198-V209 HydrophobicContact CD1-CG2 3.74Å
199	K	94.6	Very high	95.1	Very high	209 Å²	209	54.5 Å²	54.5	91%	0.909	29%	0.285	S	S	*	.	S	Bend	trans	-62.4	-36.7	176.7	-67.3	-174.9	180	179.6	0	112.2	K193	K193-K199 WeakPolarHBondContact CE-O 3.39Å; K193-K199 PolarHBondContact NZ-O 3.15Å
200	A	92.8	Very high	95.1	Very high	71 Å²	71	55 Å²	55	59%	0.587	29%	0.286	S	S	*	.			trans	-143.8	146.2	175.3	0	0	0	0	0	109.7	L198	L198-A200 VanDerWaalsContact C-N 3.27Å; L198-A200 PolarHBondContact O-N 2.93Å
201	A	92.8	Very high	95.1	Very high	21 Å²	21	50 Å²	50	17%	0.174	26%	0.263	C	S	.	.			trans	-140.9	138.2	170.3	0	0	0	0	0	108.4	I189 K193	I189-A201 HydrophobicContact CG2-CB 3.87Å; I189-A201 WeakPolarHBondContact CG2-O 3.2Å; K193-A201 HydrophobicContact CB-CB 3.86Å; K193-A201 HydrophobicContact CG-CB 4.28Å
202	N	92.1	Very high	95.2	Very high	73 Å²	73	47.4 Å²	47.4	39%	0.39	25%	0.25	S	C	.	.			trans	-148.2	176.6	176.2	64.3	15.7	0	0	0	108.8	E204 S205 V206	N202-E204 PolarHBondContact O-N 2.83Å; N202-E204 VanDerWaalsContact O-N 3.12Å; N202-E204 PolarHBondContact OD1-N 3.33Å; N202-E204 VanDerWaalsContact OD1-N 3.12Å; N202-S205 PolarHBondContact N-OG 2.71Å; N202-S205 PolarHBondContact O-N 3.26Å; N202-S205 VanDerWaalsContact O-N 3.11Å; N202-S205 PolarHBondContact O-OG 3.48Å; N202-S205 WeakPolarHBondContact OD1-CB 3.45Å; N202-S205 PolarHBondContact OD1-N 2.92Å; N202-S205 PolarHBondContact OD1-OG 2.68Å; N202-V206 WeakPolarHBondContact O-CB 3.5Å; N202-V206 PolarHBondContact O-N 3.42Å
203	V	90.9	Very high	95.2	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-33.1	179.7	173.1	0	0	0	0	112.3	F178 V181 T182 I189 L238 F241 L245	F178-V203 HydrophobicContact CE2-CB 4.42Å; V181-V203 HydrophobicContact CG1-CG2 4.48Å; T182-V203 HydrophobicContact CG2-CG2 4.43Å; T182-V203 WeakPolarHBondContact OG1-CG2 3.4Å; I189-V203 HydrophobicContact CD1-CG2 3.71Å; V203-L238 HydrophobicContact CG2-CD2 4.4Å; V203-F241 HydrophobicContact CG1-CD1 3.56Å; V203-F241 HydrophobicContact CG1-CE1 3.92Å; V203-L245 HydrophobicContact CG1-CD1 3.97Å
204	E	86.3	Confident	95.2	Very high	63 Å²	63	46.2 Å²	46.2	29%	0.294	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-14	-177.6	-61.5	-177.7	107.1	0	0	115.2	F178 N202 W207	F178-E204 HydrophobicContact CE2-CG 4.4Å; N202-E204 PolarHBondContact O-N 2.83Å; N202-E204 VanDerWaalsContact O-N 3.12Å; N202-E204 PolarHBondContact OD1-N 3.33Å; N202-E204 VanDerWaalsContact OD1-N 3.12Å; E204-W207 PolarHBondContact O-NE1 2.95Å
205	S	90.6	Very high	95.2	Very high	36 Å²	36	40.8 Å²	40.8	25%	0.252	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-21.4	-176.9	51	0	0	0	0	113.2	N202 W207 S208	N202-S205 PolarHBondContact N-OG 2.71Å; N202-S205 PolarHBondContact O-N 3.26Å; N202-S205 VanDerWaalsContact O-N 3.11Å; N202-S205 PolarHBondContact O-OG 3.48Å; N202-S205 WeakPolarHBondContact OD1-CB 3.45Å; N202-S205 PolarHBondContact OD1-N 2.92Å; N202-S205 PolarHBondContact OD1-OG 2.68Å; S205-W207 PolarHBondContact O-N 3.47Å; S205-W207 VanDerWaalsContact O-N 3.15Å; S205-S208 PolarHBondContact O-N 3.02Å; S205-S208 VanDerWaalsContact O-N 3.13Å; S205-S208 PolarHBondContact O-OG 3.07Å
206	V	94.1	Very high	95.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.4	-178.1	74.5	0	0	0	0	113.2	V192 N202 S208 V209 Y210 L235 L238	V192-V206 HydrophobicContact CG1-CG2 4.11Å; N202-V206 WeakPolarHBondContact O-CB 3.5Å; N202-V206 PolarHBondContact O-N 3.42Å; V206-S208 PolarHBondContact O-N 3.07Å; V206-S208 VanDerWaalsContact O-N 3.14Å; V206-V209 PolarHBondContact O-N 3.3Å; V206-V209 VanDerWaalsContact O-N 3.13Å; V206-Y210 PolarHBondContact O-N 3.01Å; V206-L235 HydrophobicContact CG2-CD2 3.53Å; V206-L238 HydrophobicContact CG1-CB 3.62Å; V206-L238 HydrophobicContact CG1-CD1 3.95Å; V206-L238 HydrophobicContact CG1-CG 4.4Å; V206-L238 HydrophobicContact CG2-CD1 4.47Å
207	W	94.4	Very high	95.2	Very high	97 Å²	97	38.8 Å²	38.8	37%	0.367	22%	0.215	S	C	.	.	H	α-helix	trans	-56.1	-30.7	174.1	71.8	-97.4	0	0	0	112.5	V51 E204 S205 V209 Y210 D211 K239	V51-W207 HydrophobicContact CG2-CH2 4.2Å; V51-W207 HydrophobicContact CG2-CZ3 4.17Å; E204-W207 PolarHBondContact O-NE1 2.95Å; S205-W207 PolarHBondContact O-N 3.47Å; S205-W207 VanDerWaalsContact O-N 3.15Å; W207-V209 VanDerWaalsContact C-N 3.3Å; W207-V209 PolarHBondContact O-N 2.55Å; W207-Y210 WeakPolarHBondContact O-CB 3.38Å; W207-Y210 PolarHBondContact O-N 3.21Å; W207-D211 HydrophobicContact CE3-CB 4.19Å; W207-D211 HydrophobicContact CZ3-CB 4.24Å; W207-D211 PolarHBondContact O-N 3.02Å; W207-K239 HydrophobicContact CB-CB 4.04Å; W207-K239 HydrophobicContact CB-CG 3.64Å
208	S	95.8	Very high	95.1	Very high	14 Å²	14	43.2 Å²	43.2	10%	0.098	22%	0.22	C	C	.	.	H	α-helix	trans	-66.6	-35.2	-178.3	59.5	0	0	0	0	111.8	S205 V206 D211 T212	S205-S208 PolarHBondContact O-N 3.02Å; S205-S208 VanDerWaalsContact O-N 3.13Å; S205-S208 PolarHBondContact O-OG 3.07Å; V206-S208 PolarHBondContact O-N 3.07Å; V206-S208 VanDerWaalsContact O-N 3.14Å; S208-D211 PolarHBondContact O-N 3.24Å; S208-T212 PolarHBondContact O-N 3.24Å; S208-T212 VanDerWaalsContact O-N 3.09Å; S208-T212 PolarHBondContact O-OG1 3.37Å
209	V	98	Very high	95.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67	-42.8	173.9	-177.6	0	0	0	0	110.5	F54 V192 T196 L198 V206 W207 T212 L213 W226 L235	F54-V209 HydrophobicContact CD1-CG1 4.12Å; F54-V209 HydrophobicContact CE1-CG1 4.11Å; V192-V209 HydrophobicContact CG1-CB 4.32Å; V192-V209 HydrophobicContact CG1-CG1 4.08Å; V192-V209 HydrophobicContact CG1-CG2 3.93Å; T196-V209 HydrophobicContact CG2-CG1 3.83Å; T196-V209 HydrophobicContact CG2-CG2 3.9Å; L198-V209 HydrophobicContact CD1-CG2 3.74Å; V206-V209 PolarHBondContact O-N 3.3Å; V206-V209 VanDerWaalsContact O-N 3.13Å; W207-V209 VanDerWaalsContact C-N 3.3Å; W207-V209 PolarHBondContact O-N 2.55Å; V209-T212 PolarHBondContact O-N 3.32Å; V209-L213 HydrophobicContact CG1-CD1 3.94Å; V209-L213 WeakPolarHBondContact O-CG 3.07Å; V209-L213 PolarHBondContact O-N 2.93Å; V209-L213 VanDerWaalsContact O-N 3.12Å; V209-W226 HydrophobicContact CG1-CH2 3.99Å; V209-L235 HydrophobicContact CB-CD2 4.41Å; V209-L235 HydrophobicContact CG1-CD1 4.14Å; V209-L235 HydrophobicContact CG1-CD2 4.35Å
210	Y	98.1	Very high	95.3	Very high	22 Å²	22	41.8 Å²	41.8	9%	0.086	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-45.1	173.9	-179.8	-99.8	0	0	0	111.7	V206 W207 T212 L213 F214 M232 L235 R236 K239	V206-Y210 PolarHBondContact O-N 3.01Å; W207-Y210 WeakPolarHBondContact O-CB 3.38Å; W207-Y210 PolarHBondContact O-N 3.21Å; Y210-T212 PolarHBondContact O-N 2.86Å; Y210-L213 PolarHBondContact O-N 2.81Å; Y210-F214 HydrophobicContact CD1-CB 4.38Å; Y210-F214 HydrophobicContact CE1-CB 4.08Å; Y210-F214 HydrophobicContact CE1-CD2 4.43Å; Y210-F214 HydrophobicContact CE1-CG 4.24Å; Y210-F214 WeakPolarHBondContact O-CA 3.29Å; Y210-F214 WeakPolarHBondContact O-CB 3.33Å; Y210-F214 PolarHBondContact O-N 3.4Å; Y210-M232 HydrophobicContact CD2-CE 4.01Å; Y210-M232 HydrophobicContact CE2-CE 3.85Å; Y210-L235 HydrophobicContact CD2-CB 3.73Å; Y210-L235 HydrophobicContact CG-CB 4.3Å; Y210-R236 HydrophobicContact CD2-CB 4.12Å; Y210-R236 HydrophobicContact CE2-CB 3.49Å; Y210-R236 VanDerWaalsContact CE2-CB 3.49Å; Y210-R236 HydrophobicContact CE2-CG 4.06Å; Y210-K239 HydrophobicContact CD1-CB 4.16Å; Y210-K239 HydrophobicContact CD1-CD 3.66Å; Y210-K239 HydrophobicContact CD1-CG 3.95Å; Y210-K239 HydrophobicContact CE1-CD 3.85Å; Y210-K239 HydrophobicContact CG-CB 4.3Å
211	D	97.9	Very high	95.5	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.032	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-47.6	179.8	-171	77.5	0	0	0	111.5	R48 V51 W207 S208 F214 C215	R48-D211 IonicContact CZ-OD1 3.6Å; R48-D211 IonicContact CZ-OD2 2.74Å; R48-D211 IonicContact NH1-OD1 2.61Å; R48-D211 PolarHBondContact NH1-OD1 2.81Å; R48-D211 IonicContact NH1-OD2 3.47Å; R48-D211 PolarHBondContact NH1-OD2 3.07Å; R48-D211 IonicContact NH2-OD1 3.91Å; R48-D211 PolarHBondContact NH2-OD1 2.95Å; R48-D211 IonicContact NH2-OD2 3.67Å; R48-D211 PolarHBondContact NH2-OD2 3.42Å; V51-D211 PolarHBondContact N-OD2 2.93Å; W207-D211 HydrophobicContact CE3-CB 4.19Å; W207-D211 HydrophobicContact CZ3-CB 4.24Å; W207-D211 PolarHBondContact O-N 3.02Å; S208-D211 PolarHBondContact O-N 3.24Å; D211-F214 PolarHBondContact O-N 3.13Å; D211-C215 WeakPolarHBondContact O-CB 3.42Å; D211-C215 PolarHBondContact O-N 3.02Å; D211-C215 PolarHBondContact O-SG 3.04Å
212	T	98.2	Very high	95.7	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-54.2	-60.2	175.9	-56.3	0	0	0	0	111.5	K52 A53 F54 S208 V209 Y210 F214 C215 E216	K52-T212 PolarHBondContact O-OG1 3.01Å; A53-T212 HydrophobicContact CB-CG2 4.46Å; F54-T212 HydrophobicContact CD1-CG2 3.89Å; F54-T212 HydrophobicContact CE1-CG2 3.71Å; S208-T212 PolarHBondContact O-N 3.24Å; S208-T212 VanDerWaalsContact O-N 3.09Å; S208-T212 PolarHBondContact O-OG1 3.37Å; V209-T212 PolarHBondContact O-N 3.32Å; Y210-T212 PolarHBondContact O-N 2.86Å; T212-F214 VanDerWaalsContact C-N 3.33Å; T212-F214 PolarHBondContact O-N 2.69Å; T212-C215 PolarHBondContact O-N 2.66Å; T212-E216 WeakPolarHBondContact CG2-OE1 3.14Å; T212-E216 WeakPolarHBondContact O-CG 3.07Å; T212-E216 PolarHBondContact O-N 3.5Å
213	L	98.4	Very high	95.9	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-35	-177.1	-64.4	172.2	0	0	0	112.7	F54 V209 Y210 S217 W226 V227 M232 L235	F54-L213 HydrophobicContact CE1-CD2 4.01Å; F54-L213 HydrophobicContact CE1-CG 4.05Å; F54-L213 HydrophobicContact CZ-CD2 3.99Å; F54-L213 HydrophobicContact CZ-CG 4.48Å; V209-L213 HydrophobicContact CG1-CD1 3.94Å; V209-L213 WeakPolarHBondContact O-CG 3.07Å; V209-L213 PolarHBondContact O-N 2.93Å; V209-L213 VanDerWaalsContact O-N 3.12Å; Y210-L213 PolarHBondContact O-N 2.81Å; L213-S217 WeakPolarHBondContact O-CB 3.35Å; L213-S217 PolarHBondContact O-N 3.33Å; L213-S217 PolarHBondContact O-OG 2.81Å; L213-W226 HydrophobicContact CD1-CH2 4.01Å; L213-W226 HydrophobicContact CD1-CZ2 4.46Å; L213-V227 HydrophobicContact CD1-CG1 3.94Å; L213-V227 HydrophobicContact CD1-CG2 3.75Å; L213-V227 HydrophobicContact CD2-CG1 4.4Å; L213-V227 HydrophobicContact CD2-CG2 3.86Å; L213-V227 HydrophobicContact CG-CG2 4.47Å; L213-M232 HydrophobicContact CB-CE 4.04Å; L213-M232 HydrophobicContact CB-SD 3.71Å; L213-M232 HydrophobicContact CD1-SD 3.92Å; L213-M232 HydrophobicContact CG-SD 4.47Å; L213-L235 HydrophobicContact CD1-CD1 3.7Å
214	F	97.9	Very high	96.1	Very high	47 Å²	47	43.7 Å²	43.7	21%	0.206	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-49.5	175.9	175.6	-103.6	0	0	0	110.2	Y210 D211 T212 E216 S217 R218 Y312	Y210-F214 HydrophobicContact CD1-CB 4.38Å; Y210-F214 HydrophobicContact CE1-CB 4.08Å; Y210-F214 HydrophobicContact CE1-CD2 4.43Å; Y210-F214 HydrophobicContact CE1-CG 4.24Å; Y210-F214 WeakPolarHBondContact O-CA 3.29Å; Y210-F214 WeakPolarHBondContact O-CB 3.33Å; Y210-F214 PolarHBondContact O-N 3.4Å; D211-F214 PolarHBondContact O-N 3.13Å; T212-F214 VanDerWaalsContact C-N 3.33Å; T212-F214 PolarHBondContact O-N 2.69Å; F214-E216 PolarHBondContact O-N 3.34Å; F214-S217 PolarHBondContact O-N 2.89Å; F214-S217 PolarHBondContact O-OG 2.92Å; F214-R218 HydrophobicContact CE1-CG 4.18Å; F214-R218 HydrophobicContact CE2-CG 4.3Å; F214-R218 HydrophobicContact CZ-CG 4.05Å; F214-R218 WeakPolarHBondContact O-CG 3.18Å; F214-R218 PolarHBondContact O-N 2.82Å; F214-R218 VanDerWaalsContact O-N 3.13Å; F214-Y312 HydrophobicContact CD1-CE2 4.33Å; F214-Y312 HydrophobicContact CE1-CD2 4.19Å; F214-Y312 AromaticContact CE1-CE2 3.49Å; F214-Y312 HydrophobicContact CE1-CE2 3.49Å; F214-Y312 VanDerWaalsContact CE1-CE2 3.49Å; F214-Y312 HydrophobicContact CZ-CE2 4.33Å
215	C	98.3	Very high	96.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-50	177.7	-64.1	0	0	0	0	110.7	P50 W64 D211 T212 S217 R218 H219 Y312	P50-C215 HydrophobicContact CB-CB 3.98Å; P50-C215 HydrophobicContact CG-CB 4.27Å; W64-C215 HydrophobicContact CH2-CB 3.99Å; W64-C215 HydrophobicContact CZ2-CB 4.36Å; D211-C215 WeakPolarHBondContact O-CB 3.42Å; D211-C215 PolarHBondContact O-N 3.02Å; D211-C215 PolarHBondContact O-SG 3.04Å; T212-C215 PolarHBondContact O-N 2.66Å; C215-S217 VanDerWaalsContact C-N 3.3Å; C215-S217 PolarHBondContact O-N 2.83Å; C215-R218 WeakPolarHBondContact O-CB 3.23Å; C215-R218 PolarHBondContact O-N 2.83Å; C215-H219 PolarHBondContact O-CD2 2.88Å; C215-H219 VanDerWaalsContact O-CD2 3.25Å; C215-H219 PolarHBondContact O-N 3.43Å; C215-Y312 PolarHBondContact SG-OH 2.94Å
216	E	98.1	Very high	96.9	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-52.7	-46.4	176.2	-76.7	164	-152.9	0	0	112.9	H59 W64 T212 F214 R218 H219 N220 M221	H59-E216 HydrophobicContact CB-CG 4.41Å; H59-E216 IonicContact CD2-OE2 3.57Å; W64-E216 HydrophobicContact CZ2-CG 3.99Å; T212-E216 WeakPolarHBondContact CG2-OE1 3.14Å; T212-E216 WeakPolarHBondContact O-CG 3.07Å; T212-E216 PolarHBondContact O-N 3.5Å; F214-E216 PolarHBondContact O-N 3.34Å; E216-R218 VanDerWaalsContact C-N 3.27Å; E216-R218 PolarHBondContact O-N 2.83Å; E216-H219 CarbonylContact O-C 3.58Å; E216-H219 PolarHBondContact O-N 3.33Å; E216-N220 PolarHBondContact O-N 3.29Å; E216-N220 VanDerWaalsContact O-N 3.17Å; E216-M221 HydrophobicContact CB-CB 3.94Å; E216-M221 HydrophobicContact CB-SD 4.4Å; E216-M221 HydrophobicContact CG-CB 4.22Å; E216-M221 HydrophobicContact CG-SD 3.97Å; E216-M221 PolarHBondContact O-N 3.19Å
217	S	97	Very high	97.1	Very high	64 Å²	64	49.8 Å²	49.8	45%	0.448	26%	0.262	S	S	.	.	H	α-helix	trans	-62.3	-33.1	178.9	77.2	0	0	0	0	112.9	L213 F214 C215 H219 N220	L213-S217 WeakPolarHBondContact O-CB 3.35Å; L213-S217 PolarHBondContact O-N 3.33Å; L213-S217 PolarHBondContact O-OG 2.81Å; F214-S217 PolarHBondContact O-N 2.89Å; F214-S217 PolarHBondContact O-OG 2.92Å; C215-S217 VanDerWaalsContact C-N 3.3Å; C215-S217 PolarHBondContact O-N 2.83Å; S217-H219 VanDerWaalsContact C-N 3.25Å; S217-H219 PolarHBondContact O-N 2.88Å; S217-N220 PolarHBondContact O-N 2.93Å
218	R	96.3	Very high	97.3	Very high	134 Å²	134	48 Å²	48	51%	0.506	26%	0.262	S	S	.	.	H	α-helix	trans	-72.4	-21.2	176.7	-64.5	-54.6	-61.5	176.4	-1.7	112.8	F214 C215 E216	F214-R218 HydrophobicContact CE1-CG 4.18Å; F214-R218 HydrophobicContact CE2-CG 4.3Å; F214-R218 HydrophobicContact CZ-CG 4.05Å; F214-R218 WeakPolarHBondContact O-CG 3.18Å; F214-R218 PolarHBondContact O-N 2.82Å; F214-R218 VanDerWaalsContact O-N 3.13Å; C215-R218 WeakPolarHBondContact O-CB 3.23Å; C215-R218 PolarHBondContact O-N 2.83Å; E216-R218 VanDerWaalsContact C-N 3.27Å; E216-R218 PolarHBondContact O-N 2.83Å
219	H	97.4	Very high	97.4	Very high	61 Å²	61	52.9 Å²	52.9	28%	0.282	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	17.4	180	-69.8	-91.1	0	0	0	112.5	D47 W64 C215 E216 S217 M221	D47-H219 IonicContact OD1-CD2 2.78Å; D47-H219 IonicContact OD1-CE1 3.36Å; D47-H219 PolarHBondContact OD1-CE1 2.79Å; D47-H219 IonicContact OD1-NE2 3.81Å; D47-H219 PolarHBondContact OD1-NE2 3.23Å; D47-H219 IonicContact OD2-NE2 3.17Å; W64-H219 HydrophobicContact CH2-CB 4.14Å; W64-H219 AromaticContact CH2-CD2 3.85Å; W64-H219 HydrophobicContact CZ3-CB 4.2Å; W64-H219 AromaticContact CZ3-CD2 3.66Å; W64-H219 AromaticContact CZ3-CG 3.73Å; C215-H219 PolarHBondContact O-CD2 2.88Å; C215-H219 VanDerWaalsContact O-CD2 3.25Å; C215-H219 PolarHBondContact O-N 3.43Å; E216-H219 CarbonylContact O-C 3.58Å; E216-H219 PolarHBondContact O-N 3.33Å; S217-H219 VanDerWaalsContact C-N 3.25Å; S217-H219 PolarHBondContact O-N 2.88Å; H219-M221 HydrophobicContact CB-CG 4.17Å; H219-M221 HydrophobicContact CB-SD 4.48Å; H219-M221 PolarHBondContact O-N 3.22Å
220	N	96.8	Very high	97.4	Very high	157 Å²	157	56.5 Å²	56.5	84%	0.84	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	31.1	178.7	-56.6	-50.1	0	0	0	113.8	E216 S217	E216-N220 PolarHBondContact O-N 3.29Å; E216-N220 VanDerWaalsContact O-N 3.17Å; S217-N220 PolarHBondContact O-N 2.93Å
221	M	97.1	Very high	97.4	Very high	43 Å²	43	56 Å²	56	21%	0.212	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-80.2	149.4	176.1	-54.8	-177	85.9	0	0	110	H59 A63 W64 E216 H219 A223	H59-M221 HydrophobicContact CB-CE 3.72Å; H59-M221 HydrophobicContact CB-SD 4.48Å; H59-M221 VanDerWaalsContact CG-CE 3.49Å; H59-M221 WeakPolarHBondContact ND1-CE 3.39Å; A63-M221 HydrophobicContact CB-CE 3.83Å; W64-M221 HydrophobicContact CH2-SD 3.76Å; W64-M221 HydrophobicContact CZ2-SD 3.43Å; W64-M221 WeakPolarHBondContact CZ2-SD 3.13Å; W64-M221 HydrophobicContact CZ3-SD 4.48Å; E216-M221 HydrophobicContact CB-CB 3.94Å; E216-M221 HydrophobicContact CB-SD 4.4Å; E216-M221 HydrophobicContact CG-CB 4.22Å; E216-M221 HydrophobicContact CG-SD 3.97Å; E216-M221 PolarHBondContact O-N 3.19Å; H219-M221 HydrophobicContact CB-CG 4.17Å; H219-M221 HydrophobicContact CB-SD 4.48Å; H219-M221 PolarHBondContact O-N 3.22Å; M221-A223 PolarHBondContact O-N 2.95Å
222	S	96.4	Very high	97.4	Very high	83 Å²	83	57.6 Å²	57.6	58%	0.58	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-71.8	124.2	-178.9	56.8	0	0	0	0	111	H59	H59-S222 PolarHBondContact NE2-O 2.98Å; H59-S222 PolarHBondContact NE2-OG 3.46Å
223	A	95.7	Very high	97.4	Very high	55 Å²	55	63 Å²	63	46%	0.455	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-79	149.5	173.7	0	0	0	0	0	111.2	M221 V227	M221-A223 PolarHBondContact O-N 2.95Å; A223-V227 HydrophobicContact CB-CB 4.05Å; A223-V227 HydrophobicContact CB-CG1 4.2Å
224	P	96.2	Very high	97.4	Very high	27 Å²	27	65.9 Å²	65.9	18%	0.175	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-60.3	150.6	170.1	-22.7	32.7	0	0	0	112.8	W226 V227	P224-W226 PolarHBondContact O-N 2.92Å; P224-V227 HydrophobicContact CB-CG2 4.27Å; P224-V227 HydrophobicContact CG-CG2 4.34Å; P224-V227 WeakPolarHBondContact O-CB 3.24Å; P224-V227 PolarHBondContact O-N 2.93Å
225	D	96.9	Very high	97.4	Very high	169 Å²	169	63.6 Å²	63.6	90%	0.904	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.4	-174.4	-61.4	-18.6	0	0	0	115.4	V227	D225-V227 VanDerWaalsContact C-N 3.28Å; D225-V227 PolarHBondContact O-N 2.84Å
226	W	97.3	Very high	97.4	Very high	35 Å²	35	68.5 Å²	68.5	13%	0.133	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-13.1	179	67.1	-90.7	0	0	0	113.1	F54 M191 V192 K195 T196 V209 L213 P224 T228 V231	F54-W226 HydrophobicContact CE2-CZ2 4.43Å; F54-W226 HydrophobicContact CZ-CZ2 4.21Å; M191-W226 HydrophobicContact CE-CE3 4.42Å; M191-W226 HydrophobicContact SD-CE3 4.07Å; V192-W226 HydrophobicContact CG2-CZ3 4.34Å; K195-W226 HydrophobicContact CB-CD2 3.8Å; K195-W226 HydrophobicContact CB-CE3 4.28Å; K195-W226 HydrophobicContact CB-CG 4.06Å; K195-W226 HydrophobicContact CB-CZ2 4.22Å; K195-W226 HydrophobicContact CD-CB 4.09Å; K195-W226 HydrophobicContact CD-CG 3.97Å; K195-W226 HydrophobicContact CG-CB 4.27Å; K195-W226 HydrophobicContact CG-CD2 4Å; K195-W226 HydrophobicContact CG-CE3 4.39Å; K195-W226 HydrophobicContact CG-CG 3.91Å; T196-W226 HydrophobicContact CG2-CH2 4.09Å; T196-W226 HydrophobicContact CG2-CZ2 3.96Å; V209-W226 HydrophobicContact CG1-CH2 3.99Å; L213-W226 HydrophobicContact CD1-CH2 4.01Å; L213-W226 HydrophobicContact CD1-CZ2 4.46Å; P224-W226 PolarHBondContact O-N 2.92Å; W226-T228 PolarHBondContact O-N 3.44Å; W226-T228 VanDerWaalsContact O-N 3.17Å; W226-V231 HydrophobicContact CE3-CG1 3.88Å; W226-V231 HydrophobicContact CZ3-CG1 3.56Å; W226-V231 WeakPolarHBondContact O-CG2 3.49Å
227	V	97.8	Very high	97.4	Very high	24 Å²	24	72.5 Å²	72.5	15%	0.145	38%	0.383	C	S	.	.			trans	-86.5	86.6	-177.9	-176.2	0	0	0	0	109.5	L213 A223 P224 D225 M232	L213-V227 HydrophobicContact CD1-CG1 3.94Å; L213-V227 HydrophobicContact CD1-CG2 3.75Å; L213-V227 HydrophobicContact CD2-CG1 4.4Å; L213-V227 HydrophobicContact CD2-CG2 3.86Å; L213-V227 HydrophobicContact CG-CG2 4.47Å; A223-V227 HydrophobicContact CB-CB 4.05Å; A223-V227 HydrophobicContact CB-CG1 4.2Å; P224-V227 HydrophobicContact CB-CG2 4.27Å; P224-V227 HydrophobicContact CG-CG2 4.34Å; P224-V227 WeakPolarHBondContact O-CB 3.24Å; P224-V227 PolarHBondContact O-N 2.93Å; D225-V227 VanDerWaalsContact C-N 3.28Å; D225-V227 PolarHBondContact O-N 2.84Å; V227-M232 HydrophobicContact CG1-CG 3.68Å; V227-M232 HydrophobicContact CG1-SD 3.76Å
228	T	97.9	Very high	97.4	Very high	60 Å²	60	69.4 Å²	69.4	37%	0.368	36%	0.362	S	S	.	.			trans	-90.8	167.1	173.9	71.2	0	0	0	0	111.4	W226 D230 V231 M232	W226-T228 PolarHBondContact O-N 3.44Å; W226-T228 VanDerWaalsContact O-N 3.17Å; T228-D230 VanDerWaalsContact C-N 3.27Å; T228-D230 PolarHBondContact O-N 2.73Å; T228-V231 WeakPolarHBondContact O-CB 3.2Å; T228-V231 PolarHBondContact O-N 3.42Å; T228-V231 VanDerWaalsContact O-N 3.1Å; T228-V231 WeakPolarHBondContact OG1-CG2 3.01Å; T228-V231 PolarHBondContact OG1-N 3.07Å; T228-M232 PolarHBondContact O-N 2.81Å
229	P	97.6	Very high	97.5	Very high	115 Å²	115	63.2 Å²	63.2	75%	0.747	34%	0.338	S	S	*	.	H	α-helix	trans	-54.6	-39.1	172.6	-28.6	36.7	0	0	0	113.9	M232 E233	P229-M232 PolarHBondContact O-N 2.75Å; P229-E233 WeakPolarHBondContact O-CB 3.37Å; P229-E233 PolarHBondContact O-N 2.5Å
230	D	98.1	Very high	97.5	Very high	77 Å²	77	61.2 Å²	61.2	41%	0.412	33%	0.33	S	S	.	.	H	α-helix	trans	-64.2	-40.9	175.5	169.8	75.8	0	0	0	111.9	T228 E233 K234	T228-D230 VanDerWaalsContact C-N 3.27Å; T228-D230 PolarHBondContact O-N 2.73Å; D230-E233 PolarHBondContact O-N 2.92Å; D230-K234 WeakPolarHBondContact O-CG 3.45Å; D230-K234 PolarHBondContact O-N 3.46Å; D230-K234 WeakPolarHBondContact OD1-CE 3.44Å; D230-K234 IonicContact OD1-NZ 3.22Å; D230-K234 PolarHBondContact OD1-NZ 3.06Å; D230-K234 WeakPolarHBondContact OD2-CE 3.28Å; D230-K234 IonicContact OD2-NZ 2.69Å; D230-K234 PolarHBondContact OD2-NZ 3.27Å
231	V	98.2	Very high	97.5	Very high	11 Å²	11	54.4 Å²	54.4	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-46.6	175.2	170	0	0	0	0	110.7	F188 M191 W226 T228 E233 K234 L235	F188-V231 HydrophobicContact CE2-CB 4.37Å; F188-V231 HydrophobicContact CE2-CG1 4.15Å; F188-V231 HydrophobicContact CE2-CG2 4.18Å; F188-V231 HydrophobicContact CZ-CG1 4.16Å; M191-V231 HydrophobicContact CE-CG2 4.27Å; W226-V231 HydrophobicContact CE3-CG1 3.88Å; W226-V231 HydrophobicContact CZ3-CG1 3.56Å; W226-V231 WeakPolarHBondContact O-CG2 3.49Å; T228-V231 WeakPolarHBondContact O-CB 3.2Å; T228-V231 PolarHBondContact O-N 3.42Å; T228-V231 VanDerWaalsContact O-N 3.1Å; T228-V231 WeakPolarHBondContact OG1-CG2 3.01Å; T228-V231 PolarHBondContact OG1-N 3.07Å; V231-E233 VanDerWaalsContact C-N 3.3Å; V231-E233 PolarHBondContact O-N 3.2Å; V231-K234 PolarHBondContact O-N 3.22Å; V231-L235 HydrophobicContact CG1-CD1 4.04Å; V231-L235 HydrophobicContact CG1-CG 4.36Å; V231-L235 WeakPolarHBondContact O-CB 3.37Å; V231-L235 VanDerWaalsContact O-CG 3.31Å; V231-L235 WeakPolarHBondContact O-CG 3.47Å; V231-L235 PolarHBondContact O-N 3.35Å
232	M	98	Very high	97.5	Very high	40 Å²	40	53 Å²	53	20%	0.197	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-37	177	-76	-59	-69.5	0	0	112.4	Y210 L213 V227 T228 P229 L235 R236	Y210-M232 HydrophobicContact CD2-CE 4.01Å; Y210-M232 HydrophobicContact CE2-CE 3.85Å; L213-M232 HydrophobicContact CB-CE 4.04Å; L213-M232 HydrophobicContact CB-SD 3.71Å; L213-M232 HydrophobicContact CD1-SD 3.92Å; L213-M232 HydrophobicContact CG-SD 4.47Å; V227-M232 HydrophobicContact CG1-CG 3.68Å; V227-M232 HydrophobicContact CG1-SD 3.76Å; T228-M232 PolarHBondContact O-N 2.81Å; P229-M232 PolarHBondContact O-N 2.75Å; M232-L235 HydrophobicContact SD-CD1 4.16Å; M232-R236 VanDerWaalsContact O-CB 3.29Å; M232-R236 WeakPolarHBondContact O-CB 3.19Å; M232-R236 PolarHBondContact O-N 3.43Å
233	E	98.2	Very high	97.5	Very high	114 Å²	114	49.8 Å²	49.8	53%	0.533	27%	0.265	S	S	.	.	H	α-helix	trans	-65.6	-44.7	175.7	-175.4	172.2	-168.4	0	0	112.3	P229 D230 V231 R236 F237	P229-E233 WeakPolarHBondContact O-CB 3.37Å; P229-E233 PolarHBondContact O-N 2.5Å; D230-E233 PolarHBondContact O-N 2.92Å; V231-E233 VanDerWaalsContact C-N 3.3Å; V231-E233 PolarHBondContact O-N 3.2Å; E233-R236 WeakPolarHBondContact O-CB 3.18Å; E233-R236 PolarHBondContact O-N 3.5Å; E233-R236 IonicContact OE1-NH2 3.93Å; E233-F237 PolarHBondContact O-N 3.02Å
234	K	98.4	Very high	97.6	Very high	65 Å²	65	50.4 Å²	50.4	28%	0.283	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-42.1	176.6	-70.4	173.4	178.1	158.4	0	112	Y185 F188 D230 V231 R236 F237 L238	Y185-K234 HydrophobicContact CE1-CB 4.33Å; Y185-K234 HydrophobicContact CE1-CG 4.08Å; F188-K234 HydrophobicContact CD1-CB 4.21Å; F188-K234 HydrophobicContact CD2-CB 4.38Å; F188-K234 HydrophobicContact CD2-CD 3.75Å; F188-K234 HydrophobicContact CE1-CB 3.67Å; F188-K234 HydrophobicContact CE2-CB 3.85Å; F188-K234 HydrophobicContact CE2-CD 3.77Å; F188-K234 HydrophobicContact CE2-CG 4.46Å; F188-K234 HydrophobicContact CG-CD 4.23Å; F188-K234 HydrophobicContact CZ-CB 3.46Å; F188-K234 VanDerWaalsContact CZ-CB 3.46Å; F188-K234 HydrophobicContact CZ-CD 4.27Å; D230-K234 WeakPolarHBondContact O-CG 3.45Å; D230-K234 PolarHBondContact O-N 3.46Å; D230-K234 WeakPolarHBondContact OD1-CE 3.44Å; D230-K234 IonicContact OD1-NZ 3.22Å; D230-K234 PolarHBondContact OD1-NZ 3.06Å; D230-K234 WeakPolarHBondContact OD2-CE 3.28Å; D230-K234 IonicContact OD2-NZ 2.69Å; D230-K234 PolarHBondContact OD2-NZ 3.27Å; V231-K234 PolarHBondContact O-N 3.22Å; K234-R236 VanDerWaalsContact C-N 3.34Å; K234-F237 PolarHBondContact O-N 2.89Å; K234-L238 WeakPolarHBondContact O-CG 3.24Å; K234-L238 PolarHBondContact O-N 2.68Å
235	L	98.3	Very high	97.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-44.9	173.3	-76.8	178.2	0	0	0	111.4	F188 V192 V206 V209 Y210 L213 V231 M232 L238 K239	F188-L235 HydrophobicContact CE1-CD2 4.05Å; F188-L235 HydrophobicContact CE1-CG 4.3Å; F188-L235 HydrophobicContact CZ-CD2 4.13Å; F188-L235 HydrophobicContact CZ-CG 3.97Å; V192-L235 HydrophobicContact CG2-CD2 4.12Å; V206-L235 HydrophobicContact CG2-CD2 3.53Å; V209-L235 HydrophobicContact CB-CD2 4.41Å; V209-L235 HydrophobicContact CG1-CD1 4.14Å; V209-L235 HydrophobicContact CG1-CD2 4.35Å; Y210-L235 HydrophobicContact CD2-CB 3.73Å; Y210-L235 HydrophobicContact CG-CB 4.3Å; L213-L235 HydrophobicContact CD1-CD1 3.7Å; V231-L235 HydrophobicContact CG1-CD1 4.04Å; V231-L235 HydrophobicContact CG1-CG 4.36Å; V231-L235 WeakPolarHBondContact O-CB 3.37Å; V231-L235 VanDerWaalsContact O-CG 3.31Å; V231-L235 WeakPolarHBondContact O-CG 3.47Å; V231-L235 PolarHBondContact O-N 3.35Å; M232-L235 HydrophobicContact SD-CD1 4.16Å; L235-L238 PolarHBondContact O-N 3.37Å; L235-K239 VanDerWaalsContact O-CB 3.27Å; L235-K239 WeakPolarHBondContact O-CB 3.37Å; L235-K239 PolarHBondContact O-N 2.72Å
236	R	97.8	Very high	97.6	Very high	103 Å²	103	43.1 Å²	43.1	39%	0.389	22%	0.218	S	C	.	.	H	α-helix	trans	-60	-47	175.6	-175	177.3	62.1	112.6	-0.1	111.7	Y210 M232 E233 K234 K239 D240	Y210-R236 HydrophobicContact CD2-CB 4.12Å; Y210-R236 HydrophobicContact CE2-CB 3.49Å; Y210-R236 VanDerWaalsContact CE2-CB 3.49Å; Y210-R236 HydrophobicContact CE2-CG 4.06Å; M232-R236 VanDerWaalsContact O-CB 3.29Å; M232-R236 WeakPolarHBondContact O-CB 3.19Å; M232-R236 PolarHBondContact O-N 3.43Å; E233-R236 WeakPolarHBondContact O-CB 3.18Å; E233-R236 PolarHBondContact O-N 3.5Å; E233-R236 IonicContact OE1-NH2 3.93Å; K234-R236 VanDerWaalsContact C-N 3.34Å; R236-K239 PolarHBondContact O-N 2.82Å; R236-D240 WeakPolarHBondContact O-CB 3.45Å; R236-D240 PolarHBondContact O-N 3Å
237	F	98.3	Very high	97.6	Very high	85 Å²	85	41.5 Å²	41.5	37%	0.373	21%	0.212	S	C	.	.	H	α-helix	trans	-58.4	-50.6	177.3	173.4	-89.7	0	0	0	111.6	V181 Y185 E233 K234 K239 D240 F241	V181-F237 HydrophobicContact CG1-CE1 4.12Å; Y185-F237 HydrophobicContact CD2-CE1 4.27Å; Y185-F237 HydrophobicContact CE1-CD1 4.43Å; Y185-F237 AromaticContact CE2-CD1 3.64Å; Y185-F237 HydrophobicContact CE2-CD1 3.64Å; Y185-F237 AromaticContact CE2-CE1 3.35Å; Y185-F237 HydrophobicContact CE2-CE1 3.35Å; Y185-F237 HydrophobicContact CE2-CZ 4.3Å; Y185-F237 AromaticContact CZ-CD1 3.56Å; Y185-F237 AromaticContact CZ-CE1 3.73Å; Y185-F237 WeakPolarHBondContact OH-CD1 3.47Å; E233-F237 PolarHBondContact O-N 3.02Å; K234-F237 PolarHBondContact O-N 2.89Å; F237-K239 VanDerWaalsContact C-N 3.3Å; F237-K239 PolarHBondContact O-N 3.22Å; F237-D240 PolarHBondContact O-N 3.21Å; F237-D240 VanDerWaalsContact O-N 3.11Å; F237-F241 WeakPolarHBondContact O-CB 3.15Å; F237-F241 PolarHBondContact O-N 3.27Å
238	L	98	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-39.1	179.6	-71.1	174.5	0	0	0	111.6	V181 Y185 F188 I189 V203 V206 K234 L235 F241 G242	V181-L238 HydrophobicContact CG1-CD2 3.8Å; Y185-L238 HydrophobicContact CD1-CD1 4.41Å; Y185-L238 HydrophobicContact CD1-CD2 4.44Å; Y185-L238 HydrophobicContact CD1-CG 4.5Å; Y185-L238 HydrophobicContact CD2-CD2 3.8Å; Y185-L238 HydrophobicContact CE2-CD2 4.35Å; Y185-L238 HydrophobicContact CG-CD1 4.35Å; Y185-L238 HydrophobicContact CG-CD2 3.84Å; Y185-L238 HydrophobicContact CG-CG 4.35Å; F188-L238 HydrophobicContact CD1-CD1 3.76Å; F188-L238 HydrophobicContact CE1-CD1 3.82Å; I189-L238 HydrophobicContact CD1-CD1 4.25Å; I189-L238 HydrophobicContact CG1-CD1 3.94Å; V203-L238 HydrophobicContact CG2-CD2 4.4Å; V206-L238 HydrophobicContact CG1-CB 3.62Å; V206-L238 HydrophobicContact CG1-CD1 3.95Å; V206-L238 HydrophobicContact CG1-CG 4.4Å; V206-L238 HydrophobicContact CG2-CD1 4.47Å; K234-L238 WeakPolarHBondContact O-CG 3.24Å; K234-L238 PolarHBondContact O-N 2.68Å; L235-L238 PolarHBondContact O-N 3.37Å; L238-F241 PolarHBondContact O-N 3.2Å; L238-G242 PolarHBondContact O-N 3.06Å
239	K	97.2	Very high	97.4	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.013	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-43.9	172.6	-177.4	-113.2	50.8	76.1	0	111.2	W207 Y210 L235 R236 F237 G242 F243 Q309	W207-K239 HydrophobicContact CB-CB 4.04Å; W207-K239 HydrophobicContact CB-CG 3.64Å; Y210-K239 HydrophobicContact CD1-CB 4.16Å; Y210-K239 HydrophobicContact CD1-CD 3.66Å; Y210-K239 HydrophobicContact CD1-CG 3.95Å; Y210-K239 HydrophobicContact CE1-CD 3.85Å; Y210-K239 HydrophobicContact CG-CB 4.3Å; L235-K239 VanDerWaalsContact O-CB 3.27Å; L235-K239 WeakPolarHBondContact O-CB 3.37Å; L235-K239 PolarHBondContact O-N 2.72Å; R236-K239 PolarHBondContact O-N 2.82Å; F237-K239 VanDerWaalsContact C-N 3.3Å; F237-K239 PolarHBondContact O-N 3.22Å; K239-G242 PolarHBondContact O-N 3.48Å; K239-F243 HydrophobicContact CD-CE2 4.18Å; K239-F243 HydrophobicContact CG-CE2 4.39Å; K239-F243 WeakPolarHBondContact O-CD2 3.41Å; K239-F243 PolarHBondContact O-N 2.98Å; K239-Q309 HydrophobicContact CD-CB 4.28Å; K239-Q309 HydrophobicContact CD-CG 4.4Å
240	D	97.6	Very high	97.3	Very high	19 Å²	19	38 Å²	38	10%	0.102	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-42.8	178.5	-81.9	-22.1	0	0	0	111.3	R236 F237 G242 F243 Q244 K308 Q309	R236-D240 WeakPolarHBondContact O-CB 3.45Å; R236-D240 PolarHBondContact O-N 3Å; F237-D240 PolarHBondContact O-N 3.21Å; F237-D240 VanDerWaalsContact O-N 3.11Å; D240-G242 VanDerWaalsContact C-N 3.33Å; D240-G242 PolarHBondContact O-N 3.27Å; D240-F243 PolarHBondContact O-N 2.95Å; D240-Q244 PolarHBondContact O-N 3.05Å; D240-K308 WeakPolarHBondContact OD1-CA 3.41Å; D240-Q309 PolarHBondContact OD1-N 3.32Å
241	F	97.7	Very high	97.3	Very high	14 Å²	14	38.5 Å²	38.5	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-41.2	172.5	-172.6	-116.2	0	0	0	112.2	F178 V181 V203 F237 L238 F243 Q244 L245	F178-F241 HydrophobicContact CD2-CE1 4.47Å; V181-F241 HydrophobicContact CB-CD1 4.07Å; V181-F241 HydrophobicContact CB-CE1 3.6Å; V181-F241 HydrophobicContact CB-CZ 3.94Å; V181-F241 HydrophobicContact CG1-CD1 3.61Å; V181-F241 HydrophobicContact CG1-CE1 3.67Å; V181-F241 HydrophobicContact CG1-CG 4.28Å; V181-F241 HydrophobicContact CG1-CZ 4.4Å; V181-F241 HydrophobicContact CG2-CD1 4.21Å; V181-F241 HydrophobicContact CG2-CD2 4.33Å; V181-F241 HydrophobicContact CG2-CE1 3.81Å; V181-F241 HydrophobicContact CG2-CE2 3.96Å; V181-F241 HydrophobicContact CG2-CG 4.44Å; V181-F241 HydrophobicContact CG2-CZ 3.68Å; V203-F241 HydrophobicContact CG1-CD1 3.56Å; V203-F241 HydrophobicContact CG1-CE1 3.92Å; F237-F241 WeakPolarHBondContact O-CB 3.15Å; F237-F241 PolarHBondContact O-N 3.27Å; L238-F241 PolarHBondContact O-N 3.2Å; F241-F243 VanDerWaalsContact C-N 3.31Å; F241-F243 PolarHBondContact O-N 2.97Å; F241-Q244 WeakPolarHBondContact O-CA 3.38Å; F241-Q244 WeakPolarHBondContact O-CB 3.29Å; F241-Q244 PolarHBondContact O-N 3Å; F241-L245 HydrophobicContact CD1-CD1 3.83Å; F241-L245 HydrophobicContact CD1-CG 4.14Å; F241-L245 HydrophobicContact CE1-CD1 3.65Å; F241-L245 HydrophobicContact CE1-CD2 3.89Å; F241-L245 HydrophobicContact CE1-CG 3.91Å; F241-L245 HydrophobicContact CE2-CD2 4.26Å; F241-L245 HydrophobicContact CZ-CD1 4.33Å; F241-L245 HydrophobicContact CZ-CD2 3.7Å; F241-L245 HydrophobicContact CZ-CG 4.11Å; F241-L245 WeakPolarHBondContact O-CG 3.47Å; F241-L245 PolarHBondContact O-N 3.3Å
242	G	96.7	Very high	97.3	Very high	13 Å²	13	40.7 Å²	40.7	13%	0.134	19%	0.19	C	C	.	.	H	α-helix	trans	-54.6	-42.2	174.1	0	0	0	0	0	113.7	L238 K239 D240 L245 L246	L238-G242 PolarHBondContact O-N 3.06Å; K239-G242 PolarHBondContact O-N 3.48Å; D240-G242 VanDerWaalsContact C-N 3.33Å; D240-G242 PolarHBondContact O-N 3.27Å; G242-L245 PolarHBondContact O-N 3.11Å; G242-L246 WeakPolarHBondContact O-CG 3.3Å; G242-L246 PolarHBondContact O-N 3.07Å
243	F	96.5	Very high	97.4	Very high	16 Å²	16	43.4 Å²	43.4	7%	0.07	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-36.2	174.7	-84.9	-96	0	0	0	112.7	K239 D240 F241 L245 L246 D292 T293 V296 F305 Q309	K239-F243 HydrophobicContact CD-CE2 4.18Å; K239-F243 HydrophobicContact CG-CE2 4.39Å; K239-F243 WeakPolarHBondContact O-CD2 3.41Å; K239-F243 PolarHBondContact O-N 2.98Å; D240-F243 PolarHBondContact O-N 2.95Å; F241-F243 VanDerWaalsContact C-N 3.31Å; F241-F243 PolarHBondContact O-N 2.97Å; F243-L245 VanDerWaalsContact C-N 3.34Å; F243-L246 PolarHBondContact O-N 3.07Å; F243-D292 HydrophobicContact CE1-CB 4.11Å; F243-D292 HydrophobicContact CZ-CB 4.11Å; F243-T293 HydrophobicContact CD1-CG2 4.43Å; F243-T293 HydrophobicContact CE1-CG2 3.59Å; F243-T293 HydrophobicContact CZ-CG2 4.07Å; F243-V296 HydrophobicContact CB-CG1 4.39Å; F243-V296 HydrophobicContact CD1-CB 3.97Å; F243-V296 HydrophobicContact CD1-CG1 4.06Å; F243-V296 HydrophobicContact CD1-CG2 3.72Å; F243-V296 HydrophobicContact CE1-CG2 4.17Å; F243-F305 HydrophobicContact CB-CZ 4.32Å; F243-Q309 HydrophobicContact CE2-CB 4.5Å; F243-Q309 HydrophobicContact CE2-CG 3.87Å; F243-Q309 HydrophobicContact CZ-CG 3.84Å
244	Q	97.1	Very high	97.4	Very high	69 Å²	69	40.6 Å²	40.6	32%	0.322	19%	0.19	S	C	.	.	H	α-helix	trans	-65.6	-38.7	175	-65	175	42.9	0	0	111.5	D240 F241 G248 V249 F305 G307	D240-Q244 PolarHBondContact O-N 3.05Å; F241-Q244 WeakPolarHBondContact O-CA 3.38Å; F241-Q244 WeakPolarHBondContact O-CB 3.29Å; F241-Q244 PolarHBondContact O-N 3Å; Q244-G248 CarbonylContact O-C 3.27Å; Q244-G248 VanDerWaalsContact O-C 3.27Å; Q244-G248 VanDerWaalsContact O-CA 3.25Å; Q244-G248 WeakPolarHBondContact O-CA 3.31Å; Q244-G248 PolarHBondContact O-N 2.83Å; Q244-V249 HydrophobicContact CB-CG2 4.09Å; Q244-F305 HydrophobicContact CG-CE1 3.85Å; Q244-G307 PolarHBondContact NE2-O 2.89Å
245	L	97	Very high	97.4	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-63.6	-40.9	176.9	-66.6	173.8	0	0	0	112.4	T172 F178 V203 F241 G242 F243 F247 V249 K255	T172-L245 HydrophobicContact CG2-CD2 3.65Å; F178-L245 HydrophobicContact CB-CD2 4.49Å; F178-L245 HydrophobicContact CD2-CD1 3.63Å; F178-L245 HydrophobicContact CD2-CD2 3.85Å; F178-L245 HydrophobicContact CD2-CG 4.41Å; F178-L245 HydrophobicContact CE2-CD1 3.79Å; V203-L245 HydrophobicContact CG1-CD1 3.97Å; F241-L245 HydrophobicContact CD1-CD1 3.83Å; F241-L245 HydrophobicContact CD1-CG 4.14Å; F241-L245 HydrophobicContact CE1-CD1 3.65Å; F241-L245 HydrophobicContact CE1-CD2 3.89Å; F241-L245 HydrophobicContact CE1-CG 3.91Å; F241-L245 HydrophobicContact CE2-CD2 4.26Å; F241-L245 HydrophobicContact CZ-CD1 4.33Å; F241-L245 HydrophobicContact CZ-CD2 3.7Å; F241-L245 HydrophobicContact CZ-CG 4.11Å; F241-L245 WeakPolarHBondContact O-CG 3.47Å; F241-L245 PolarHBondContact O-N 3.3Å; G242-L245 PolarHBondContact O-N 3.11Å; F243-L245 VanDerWaalsContact C-N 3.34Å; L245-F247 VanDerWaalsContact C-N 3.35Å; L245-F247 PolarHBondContact O-N 3.16Å; L245-V249 HydrophobicContact CD2-CB 4.33Å; L245-V249 HydrophobicContact CD2-CG1 4.33Å; L245-V249 HydrophobicContact CD2-CG2 4.11Å; L245-K255 PolarHBondContact O-NZ 3.16Å
246	L	96.8	Very high	97.4	Very high	40 Å²	40	37.6 Å²	37.6	21%	0.209	18%	0.176	C	C	.	.	H	α-helix	trans	-59.1	-43.5	-178.3	-72.6	173.4	0	0	0	112.7	P158 Y165 M169 G242 F243	P158-L246 HydrophobicContact CG-CD2 4.24Å; Y165-L246 PolarHBondContact OH-O 3.21Å; M169-L246 HydrophobicContact CE-CD2 4.23Å; G242-L246 WeakPolarHBondContact O-CG 3.3Å; G242-L246 PolarHBondContact O-N 3.07Å; F243-L246 PolarHBondContact O-N 3.07Å
247	F	97.2	Very high	97.4	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-118.4	-10.6	-168.8	-53.6	-66.2	0	0	0	114.5	F157 L245 Q252 Q259 V296 A297 A300	F157-F247 HydrophobicContact CB-CE1 4.14Å; F157-F247 HydrophobicContact CB-CZ 4.01Å; L245-F247 VanDerWaalsContact C-N 3.35Å; L245-F247 PolarHBondContact O-N 3.16Å; F247-Q252 WeakPolarHBondContact O-CG 3.35Å; F247-Q259 HydrophobicContact CD1-CB 4.12Å; F247-Q259 HydrophobicContact CD1-CG 4.46Å; F247-Q259 HydrophobicContact CE1-CB 4.12Å; F247-Q259 HydrophobicContact CE1-CG 4.4Å; F247-V296 HydrophobicContact CD2-CB 4.37Å; F247-V296 HydrophobicContact CD2-CG1 3.65Å; F247-V296 HydrophobicContact CE2-CB 4.38Å; F247-V296 HydrophobicContact CE2-CG1 4.1Å; F247-A297 HydrophobicContact CD1-CB 3.96Å; F247-A297 HydrophobicContact CD2-CB 4.48Å; F247-A297 HydrophobicContact CE1-CB 3.65Å; F247-A297 HydrophobicContact CE2-CB 4.18Å; F247-A297 HydrophobicContact CG-CB 4.36Å; F247-A297 HydrophobicContact CZ-CB 3.76Å; F247-A300 HydrophobicContact CB-CB 3.57Å
248	G	95.7	Very high	97.4	Very high	6 Å²	6	30.6 Å²	30.6	6%	0.062	15%	0.148	C	C	.	.	S	Bend	trans	-138.4	-141.5	-176.1	0	0	0	0	0	112.6	Q244 Y250 K255	Q244-G248 CarbonylContact O-C 3.27Å; Q244-G248 VanDerWaalsContact O-C 3.27Å; Q244-G248 VanDerWaalsContact O-CA 3.25Å; Q244-G248 WeakPolarHBondContact O-CA 3.31Å; Q244-G248 PolarHBondContact O-N 2.83Å; G248-Y250 PolarHBondContact O-N 2.74Å; G248-K255 PolarHBondContact O-NZ 2.95Å
249	V	94.3	Very high	97.4	Very high	55 Å²	55	30.6 Å²	30.6	33%	0.333	15%	0.148	S	C	.	.	S	Bend	trans	60.5	-57.9	-176.2	176.6	0	0	0	0	113.5	T172 E177 Q244 L245	T172-V249 HydrophobicContact CG2-CB 4.33Å; T172-V249 HydrophobicContact CG2-CG1 4.21Å; E177-V249 HydrophobicContact CB-CG1 3.96Å; E177-V249 HydrophobicContact CG-CG1 4.33Å; Q244-V249 HydrophobicContact CB-CG2 4.09Å; L245-V249 HydrophobicContact CD2-CB 4.33Å; L245-V249 HydrophobicContact CD2-CG1 4.33Å; L245-V249 HydrophobicContact CD2-CG2 4.11Å
250	Y	97.4	Very high	97.5	Very high	63 Å²	63	30.4 Å²	30.4	25%	0.247	15%	0.147	C	C	.	.	S	Bend	trans	-124.2	125.6	-179.1	-178	-101.4	0	0	0	110.5	L168 E171 T175 G248 Q252 K255	L168-Y250 HydrophobicContact CD2-CE1 4.19Å; E171-Y250 HydrophobicContact CB-CD1 3.91Å; E171-Y250 HydrophobicContact CB-CE1 3.33Å; E171-Y250 HydrophobicContact CG-CE1 4.16Å; E171-Y250 WeakPolarHBondContact OE2-CE1 3.32Å; E171-Y250 VanDerWaalsContact OE2-CZ 3.28Å; E171-Y250 PolarHBondContact OE2-OH 3.39Å; T175-Y250 HydrophobicContact CG2-CD2 3.66Å; T175-Y250 HydrophobicContact CG2-CG 3.96Å; G248-Y250 PolarHBondContact O-N 2.74Å; Y250-Q252 PolarHBondContact O-N 3.02Å; Y250-K255 VanDerWaalsContact O-CE 3.27Å; Y250-K255 WeakPolarHBondContact O-CE 3.39Å
251	K	97.8	Very high	97.5	Very high	88 Å²	88	29.5 Å²	29.5	38%	0.383	14%	0.142	S	C	.	.	S	Bend	trans	44.6	48	-180	-65.3	-173.8	178.2	167	0	113.1	L168 E171 Q253 E254 K255	L168-K251 HydrophobicContact CD2-CB 4.11Å; L168-K251 HydrophobicContact CD2-CD 3.81Å; E171-K251 IonicContact OE2-NZ 3.97Å; E171-K251 PolarHBondContact OE2-NZ 3.16Å; K251-Q253 PolarHBondContact O-N 3.27Å; K251-Q253 VanDerWaalsContact O-N 3.15Å; K251-E254 HydrophobicContact CB-CB 4.18Å; K251-E254 VanDerWaalsContact CD-OE2 3.28Å; K251-E254 WeakPolarHBondContact CD-OE2 3.38Å; K251-E254 PolarHBondContact O-N 3.11Å; K251-K255 PolarHBondContact O-N 3.23Å
252	Q	98.2	Very high	97.6	Very high	57 Å²	57	30.5 Å²	30.5	27%	0.266	15%	0.148	S	C	.	.	H	α-helix	trans	-46.8	-46.7	-179.6	176.7	172.4	-31.8	0	0	112.4	F247 Y250 E254 K255 S256 A300 N303	F247-Q252 WeakPolarHBondContact O-CG 3.35Å; Y250-Q252 PolarHBondContact O-N 3.02Å; Q252-E254 VanDerWaalsContact C-N 3.32Å; Q252-E254 PolarHBondContact O-N 3.21Å; Q252-K255 PolarHBondContact O-N 3.27Å; Q252-S256 WeakPolarHBondContact O-CB 3.4Å; Q252-S256 PolarHBondContact O-N 3.02Å; Q252-S256 PolarHBondContact O-OG 3.31Å; Q252-S256 VanDerWaalsContact O-OG 3.08Å; Q252-A300 PolarHBondContact NE2-O 3.41Å; Q252-N303 PolarHBondContact NE2-OD1 3.43Å
253	Q	98.4	Very high	97.7	Very high	97 Å²	97	30 Å²	30	45%	0.453	14%	0.142	S	C	.	.	H	α-helix	trans	-58.4	-42.5	179.5	-173.4	-173.5	-25.4	0	0	112.6	K251 S256 R257 P365 F366	K251-Q253 PolarHBondContact O-N 3.27Å; K251-Q253 VanDerWaalsContact O-N 3.15Å; Q253-S256 WeakPolarHBondContact O-CB 3.37Å; Q253-S256 PolarHBondContact O-N 3.39Å; Q253-R257 WeakPolarHBondContact O-CG 3.5Å; Q253-R257 PolarHBondContact O-N 3.19Å; Q253-R257 VanDerWaalsContact O-N 3.11Å; Q253-P365 VanDerWaalsContact NE2-CB 3.28Å; Q253-P365 PolarHBondContact NE2-O 2.89Å; Q253-F366 HydrophobicContact CB-CD1 4.12Å; Q253-F366 HydrophobicContact CB-CE1 3.86Å; Q253-F366 HydrophobicContact CG-CD1 3.86Å; Q253-F366 HydrophobicContact CG-CE1 3.88Å; Q253-F366 HydrophobicContact CG-CG 4.41Å; Q253-F366 HydrophobicContact CG-CZ 4.44Å
254	E	98.4	Very high	97.8	Very high	56 Å²	56	29.2 Å²	29.2	26%	0.262	14%	0.139	S	C	.	.	H	α-helix	trans	-68.2	-44.1	178.2	-161.2	-179.5	170.2	0	0	110.8	R164 L168 K251 Q252 S256 R257 L258	R164-E254 IonicContact CZ-OE1 3.42Å; R164-E254 VanDerWaalsContact CZ-OE1 3.25Å; R164-E254 IonicContact NE-OE1 2.78Å; R164-E254 PolarHBondContact NE-OE1 2.92Å; R164-E254 IonicContact NH2-OE1 3.39Å; R164-E254 PolarHBondContact NH2-OE1 2.65Å; R164-E254 IonicContact NH2-OE2 3.2Å; R164-E254 PolarHBondContact NH2-OE2 3.24Å; L168-E254 HydrophobicContact CD1-CB 4.07Å; L168-E254 HydrophobicContact CD1-CG 3.86Å; K251-E254 HydrophobicContact CB-CB 4.18Å; K251-E254 VanDerWaalsContact CD-OE2 3.28Å; K251-E254 WeakPolarHBondContact CD-OE2 3.38Å; K251-E254 PolarHBondContact O-N 3.11Å; Q252-E254 VanDerWaalsContact C-N 3.32Å; Q252-E254 PolarHBondContact O-N 3.21Å; E254-S256 VanDerWaalsContact C-N 3.31Å; E254-S256 PolarHBondContact O-N 3.09Å; E254-R257 PolarHBondContact O-N 3.45Å; E254-L258 WeakPolarHBondContact O-CG 3.44Å; E254-L258 PolarHBondContact O-N 3.04Å
255	K	98.6	Very high	97.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.8	-42.9	173.4	-70.1	-177.7	176.2	176.5	0	112	Y165 L168 T172 L245 G248 Y250 K251 Q252 R257 L258 Q259	Y165-K255 HydrophobicContact CD2-CG 4.41Å; Y165-K255 HydrophobicContact CE2-CB 4.45Å; Y165-K255 HydrophobicContact CE2-CG 4.28Å; L168-K255 HydrophobicContact CB-CG 4.19Å; L168-K255 HydrophobicContact CD1-CG 3.88Å; T172-K255 WeakPolarHBondContact OG1-CE 3.45Å; T172-K255 PolarHBondContact OG1-NZ 3.44Å; L245-K255 PolarHBondContact O-NZ 3.16Å; G248-K255 PolarHBondContact O-NZ 2.95Å; Y250-K255 VanDerWaalsContact O-CE 3.27Å; Y250-K255 WeakPolarHBondContact O-CE 3.39Å; K251-K255 PolarHBondContact O-N 3.23Å; Q252-K255 PolarHBondContact O-N 3.27Å; K255-R257 PolarHBondContact O-N 3.5Å; K255-L258 PolarHBondContact O-N 2.95Å; K255-Q259 VanDerWaalsContact O-CB 3.29Å; K255-Q259 WeakPolarHBondContact O-CB 3.45Å; K255-Q259 WeakPolarHBondContact O-CG 3.46Å; K255-Q259 PolarHBondContact O-N 3.22Å
256	S	98.6	Very high	97.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-57	-49.3	176.7	-72.9	0	0	0	0	111.3	Q252 Q253 E254 L258 Q259 G260 G261 S301 F366	Q252-S256 WeakPolarHBondContact O-CB 3.4Å; Q252-S256 PolarHBondContact O-N 3.02Å; Q252-S256 PolarHBondContact O-OG 3.31Å; Q252-S256 VanDerWaalsContact O-OG 3.08Å; Q253-S256 WeakPolarHBondContact O-CB 3.37Å; Q253-S256 PolarHBondContact O-N 3.39Å; E254-S256 VanDerWaalsContact C-N 3.31Å; E254-S256 PolarHBondContact O-N 3.09Å; S256-L258 PolarHBondContact O-N 3.43Å; S256-Q259 CarbonylContact O-C 3.52Å; S256-Q259 PolarHBondContact O-N 2.99Å; S256-G260 PolarHBondContact O-N 2.97Å; S256-G261 WeakPolarHBondContact O-CA 3.32Å; S256-G261 PolarHBondContact O-N 3.44Å; S256-S301 WeakPolarHBondContact CB-OG 3.19Å; S256-S301 VanDerWaalsContact OG-CA 3.31Å; S256-S301 WeakPolarHBondContact OG-CA 3.46Å; S256-S301 PolarHBondContact OG-OG 2.88Å; S256-F366 CarbonylContact C-O 3.51Å
257	R	98.6	Very high	98	Very high	39 Å²	39	27.8 Å²	27.8	15%	0.147	14%	0.135	C	C	.	.	H	α-helix	trans	-55.5	-38.6	178.4	-68.3	175.7	72.2	77.3	4	112.4	Q253 E254 K255 P365 F366 I367 S368 D369 E374	Q253-R257 WeakPolarHBondContact O-CG 3.5Å; Q253-R257 PolarHBondContact O-N 3.19Å; Q253-R257 VanDerWaalsContact O-N 3.11Å; E254-R257 PolarHBondContact O-N 3.45Å; K255-R257 PolarHBondContact O-N 3.5Å; R257-P365 WeakPolarHBondContact CD-O 3.3Å; R257-P365 WeakPolarHBondContact CG-O 3.46Å; R257-P365 PolarHBondContact NH1-O 3.49Å; R257-P365 VanDerWaalsContact NH1-O 3.07Å; R257-F366 WeakPolarHBondContact CA-O 3.28Å; R257-F366 PolarHBondContact N-O 2.92Å; R257-I367 PolarHBondContact NH1-O 3.48Å; R257-S368 WeakPolarHBondContact O-CB 3.45Å; R257-D369 IonicContact NH2-OD2 2.98Å; R257-D369 PolarHBondContact NH2-OD2 2.97Å; R257-E374 IonicContact CZ-OE1 2.68Å; R257-E374 IonicContact CZ-OE2 3.53Å; R257-E374 IonicContact NE-OE1 2.83Å; R257-E374 IonicContact NE-OE2 3.72Å; R257-E374 PolarHBondContact NE-OE2 2.92Å; R257-E374 IonicContact NH2-OE1 3.49Å; R257-E374 PolarHBondContact NH2-OE1 3.34Å; R257-E374 IonicContact NH2-OE2 3.37Å; R257-E374 PolarHBondContact NH2-OE2 2.95Å
258	L	98.4	Very high	98.1	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-84.6	-12.8	-178.5	-55.7	177.2	0	0	0	114.2	R164 L168 E254 K255 S256 R371 E374	R164-L258 HydrophobicContact CB-CD1 4.08Å; R164-L258 HydrophobicContact CG-CD1 3.89Å; L168-L258 HydrophobicContact CD1-CD1 3.88Å; E254-L258 WeakPolarHBondContact O-CG 3.44Å; E254-L258 PolarHBondContact O-N 3.04Å; K255-L258 PolarHBondContact O-N 2.95Å; S256-L258 PolarHBondContact O-N 3.43Å; L258-R371 HydrophobicContact CD2-CG 4.36Å; L258-E374 HydrophobicContact CD2-CB 3.73Å
259	Q	98.3	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-109.9	-173.5	-60.6	-64.1	-17.9	0	0	111.2	F157 L159 Y165 F247 K255 S256 G261 L262	F157-Q259 HydrophobicContact CD1-CB 4.29Å; F157-Q259 WeakPolarHBondContact CE1-O 3.26Å; L159-Q259 PolarHBondContact O-NE2 2.91Å; Y165-Q259 HydrophobicContact CD2-CG 3.67Å; Y165-Q259 VanDerWaalsContact CD2-NE2 3.34Å; Y165-Q259 VanDerWaalsContact CE1-NE2 3.34Å; Y165-Q259 HydrophobicContact CE2-CG 3.45Å; Y165-Q259 VanDerWaalsContact CE2-CG 3.45Å; Y165-Q259 HydrophobicContact CG-CG 4.37Å; F247-Q259 HydrophobicContact CD1-CB 4.12Å; F247-Q259 HydrophobicContact CD1-CG 4.46Å; F247-Q259 HydrophobicContact CE1-CB 4.12Å; F247-Q259 HydrophobicContact CE1-CG 4.4Å; K255-Q259 VanDerWaalsContact O-CB 3.29Å; K255-Q259 WeakPolarHBondContact O-CB 3.45Å; K255-Q259 WeakPolarHBondContact O-CG 3.46Å; K255-Q259 PolarHBondContact O-N 3.22Å; S256-Q259 CarbonylContact O-C 3.52Å; S256-Q259 PolarHBondContact O-N 2.99Å; Q259-G261 PolarHBondContact O-N 3.38Å; Q259-L262 WeakPolarHBondContact O-CG 3.46Å; Q259-L262 PolarHBondContact O-N 3.45Å
260	G	98.3	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.4	-173.9	0	0	0	0	0	115	S256 L262 L263 L264 S301	S256-G260 PolarHBondContact O-N 2.97Å; G260-L262 PolarHBondContact O-N 3.41Å; G260-L263 PolarHBondContact O-N 2.85Å; G260-L264 PolarHBondContact O-N 3.33Å; G260-S301 VanDerWaalsContact C-OG 3.23Å
261	G	98.5	Very high	98.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-25	173.4	0	0	0	0	0	113.8	S256 Q259 G265 S301 F366	S256-G261 WeakPolarHBondContact O-CA 3.32Å; S256-G261 PolarHBondContact O-N 3.44Å; Q259-G261 PolarHBondContact O-N 3.38Å; G261-G265 PolarHBondContact O-N 3.3Å; G261-S301 PolarHBondContact N-OG 3.36Å; G261-F366 VanDerWaalsContact CA-O 3.24Å; G261-F366 WeakPolarHBondContact CA-O 3.34Å
262	L	98.3	Very high	98.5	Very high	35 Å²	35	28.5 Å²	28.5	18%	0.183	14%	0.142	C	C	.	.	H	α-helix	trans	-66.1	-47.4	172.6	-59.5	173.2	0	0	0	111.4	K153 F157 L159 Q259 G260 G265 E266 R371	K153-L262 WeakPolarHBondContact O-CD1 3.26Å; F157-L262 HydrophobicContact CE1-CD1 4.48Å; L159-L262 HydrophobicContact CD1-CD1 3.42Å; L159-L262 VanDerWaalsContact CD1-CD1 3.42Å; Q259-L262 WeakPolarHBondContact O-CG 3.46Å; Q259-L262 PolarHBondContact O-N 3.45Å; G260-L262 PolarHBondContact O-N 3.41Å; L262-G265 PolarHBondContact O-N 2.88Å; L262-E266 PolarHBondContact O-N 3.08Å; L262-E266 VanDerWaalsContact O-N 3.12Å; L262-R371 HydrophobicContact CD2-CB 4.17Å; L262-R371 HydrophobicContact CD2-CG 4.44Å
263	L	98.8	Very high	98.4	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-44.3	175.9	178.6	55.9	0	0	0	111.3	L42 L154 L155 F157 G260 G265 E266 I267 L288 T294 L298	L42-L263 HydrophobicContact CD1-CD2 4.39Å; L42-L263 HydrophobicContact CD2-CD2 3.87Å; L154-L263 HydrophobicContact CD1-CB 4.19Å; L154-L263 HydrophobicContact CD1-CD1 4.04Å; L154-L263 HydrophobicContact CG-CD1 4.07Å; L155-L263 HydrophobicContact CD2-CD1 4.03Å; L155-L263 HydrophobicContact CD2-CD2 4.11Å; F157-L263 HydrophobicContact CE2-CB 4.14Å; F157-L263 HydrophobicContact CE2-CD2 4.36Å; F157-L263 HydrophobicContact CZ-CB 4.12Å; G260-L263 PolarHBondContact O-N 2.85Å; L263-G265 VanDerWaalsContact C-N 3.28Å; L263-G265 PolarHBondContact O-N 3.35Å; L263-E266 PolarHBondContact O-N 2.88Å; L263-I267 HydrophobicContact CD1-CD1 4.04Å; L263-I267 HydrophobicContact CD1-CG1 4.28Å; L263-I267 HydrophobicContact CG-CD1 3.92Å; L263-I267 WeakPolarHBondContact O-CG1 3.49Å; L263-I267 PolarHBondContact O-N 2.95Å; L263-L288 HydrophobicContact CD1-CD1 3.94Å; L263-T294 HydrophobicContact CD2-CG2 3.86Å; L263-L298 HydrophobicContact CD2-CB 4.29Å; L263-L298 HydrophobicContact CD2-CD2 4.45Å; L263-L298 HydrophobicContact CG-CD1 4.48Å
264	L	98.8	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.4	-41.8	175.2	-178.8	55.9	0	0	0	111.8	G260 I267 V268 L298 L302 T363 F366 I367	G260-L264 PolarHBondContact O-N 3.33Å; L264-I267 PolarHBondContact O-N 2.9Å; L264-V268 HydrophobicContact CD1-CG2 4.1Å; L264-V268 HydrophobicContact CG-CG2 4.43Å; L264-V268 WeakPolarHBondContact O-CB 3.32Å; L264-V268 WeakPolarHBondContact O-CG2 3.44Å; L264-V268 PolarHBondContact O-N 2.63Å; L264-L298 HydrophobicContact CB-CD1 4.04Å; L264-L298 HydrophobicContact CD1-CD1 4.16Å; L264-L302 HydrophobicContact CD1-CD2 3.51Å; L264-L302 HydrophobicContact CD1-CG 4Å; L264-L302 HydrophobicContact CD2-CD2 4.24Å; L264-L302 HydrophobicContact CD2-CG 4.42Å; L264-T363 HydrophobicContact CD1-CG2 4.22Å; L264-T363 HydrophobicContact CD2-CG2 4.15Å; L264-F366 HydrophobicContact CD2-CB 4.34Å; L264-I367 HydrophobicContact CB-CG1 4.33Å; L264-I367 HydrophobicContact CD2-CG1 4.18Å; L264-I367 HydrophobicContact CG-CD1 4.12Å; L264-I367 HydrophobicContact CG-CG1 3.99Å
265	G	98.6	Very high	98.1	Very high	17 Å²	17	25.9 Å²	25.9	18%	0.175	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-45.5	176.6	0	0	0	0	0	113.1	G261 L262 L263 V268 K269	G261-G265 PolarHBondContact O-N 3.3Å; L262-G265 PolarHBondContact O-N 2.88Å; L263-G265 VanDerWaalsContact C-N 3.28Å; L263-G265 PolarHBondContact O-N 3.35Å; G265-V268 PolarHBondContact O-N 2.79Å; G265-K269 VanDerWaalsContact O-CB 3.26Å; G265-K269 WeakPolarHBondContact O-CB 3.44Å; G265-K269 PolarHBondContact O-N 3.28Å
266	E	98.5	Very high	97.8	Very high	59 Å²	59	28.2 Å²	28.2	28%	0.276	15%	0.149	S	C	.	.	H	α-helix	trans	-67.2	-36.8	176.6	-174.6	56.7	-151.4	0	0	111.8	L154 L262 L263 K269 N270	L154-E266 HydrophobicContact CD1-CB 3.95Å; L154-E266 HydrophobicContact CD1-CG 4.48Å; L154-E266 HydrophobicContact CD2-CG 4.18Å; L262-E266 PolarHBondContact O-N 3.08Å; L262-E266 VanDerWaalsContact O-N 3.12Å; L263-E266 PolarHBondContact O-N 2.88Å; E266-K269 IonicContact OE1-NZ 3.98Å; E266-K269 IonicContact OE2-NZ 3.05Å; E266-K269 PolarHBondContact OE2-NZ 3.23Å; E266-N270 WeakPolarHBondContact O-CB 3.23Å; E266-N270 VanDerWaalsContact O-CG 3.3Å; E266-N270 PolarHBondContact O-N 3.13Å; E266-N270 PolarHBondContact O-ND2 3.27Å; E266-N270 PolarHBondContact OE1-ND2 2.85Å
267	I	98.8	Very high	97	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-51.2	173.1	-70.1	166.1	0	0	0	110.7	T40 L263 L264 K269 N270 L271 L298 I318	T40-I267 HydrophobicContact CG2-CG1 4.31Å; L263-I267 HydrophobicContact CD1-CD1 4.04Å; L263-I267 HydrophobicContact CD1-CG1 4.28Å; L263-I267 HydrophobicContact CG-CD1 3.92Å; L263-I267 WeakPolarHBondContact O-CG1 3.49Å; L263-I267 PolarHBondContact O-N 2.95Å; L264-I267 PolarHBondContact O-N 2.9Å; I267-K269 VanDerWaalsContact C-N 3.31Å; I267-K269 PolarHBondContact O-N 3.12Å; I267-N270 CarbonylContact O-C 3.57Å; I267-N270 PolarHBondContact O-N 3.09Å; I267-N270 VanDerWaalsContact O-N 3.1Å; I267-L271 HydrophobicContact CG2-CD1 3.87Å; I267-L271 HydrophobicContact CG2-CG 4.24Å; I267-L271 VanDerWaalsContact O-CG 3.31Å; I267-L271 WeakPolarHBondContact O-CG 3.3Å; I267-L271 PolarHBondContact O-N 2.87Å; I267-L298 HydrophobicContact CD1-CD1 3.83Å; I267-L298 HydrophobicContact CD1-CD2 3.79Å; I267-I318 HydrophobicContact CD1-CD1 4.1Å; I267-I318 HydrophobicContact CG2-CD1 3.84Å
268	V	98.8	Very high	96.4	Very high	13 Å²	13	37 Å²	37	8%	0.079	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-42.4	179.5	167.9	0	0	0	0	111.4	L264 G265 N270 L271 T272 F359 V360 I367	L264-V268 HydrophobicContact CD1-CG2 4.1Å; L264-V268 HydrophobicContact CG-CG2 4.43Å; L264-V268 WeakPolarHBondContact O-CB 3.32Å; L264-V268 WeakPolarHBondContact O-CG2 3.44Å; L264-V268 PolarHBondContact O-N 2.63Å; G265-V268 PolarHBondContact O-N 2.79Å; V268-N270 VanDerWaalsContact C-N 3.35Å; V268-L271 PolarHBondContact O-N 2.93Å; V268-T272 WeakPolarHBondContact O-CB 3.36Å; V268-T272 PolarHBondContact O-N 3.21Å; V268-T272 PolarHBondContact O-OG1 2.9Å; V268-F359 HydrophobicContact CG2-CD1 4.15Å; V268-F359 HydrophobicContact CG2-CE1 3.77Å; V268-V360 HydrophobicContact CG1-CB 4.41Å; V268-V360 HydrophobicContact CG1-CG1 4.32Å; V268-V360 HydrophobicContact CG1-CG2 3.87Å; V268-I367 HydrophobicContact CB-CD1 4.25Å; V268-I367 HydrophobicContact CG2-CD1 3.97Å
269	K	98.4	Very high	95.3	Very high	125 Å²	125	43.4 Å²	43.4	54%	0.543	24%	0.244	S	C	.	.	H	α-helix	trans	-60.7	-44	174.3	176.4	-175.8	164.4	-157.9	0	111.5	G265 E266 I267 K273	G265-K269 VanDerWaalsContact O-CB 3.26Å; G265-K269 WeakPolarHBondContact O-CB 3.44Å; G265-K269 PolarHBondContact O-N 3.28Å; E266-K269 IonicContact OE1-NZ 3.98Å; E266-K269 IonicContact OE2-NZ 3.05Å; E266-K269 PolarHBondContact OE2-NZ 3.23Å; I267-K269 VanDerWaalsContact C-N 3.31Å; I267-K269 PolarHBondContact O-N 3.12Å; K269-K273 VanDerWaalsContact O-CB 3.23Å; K269-K273 WeakPolarHBondContact O-CB 3.26Å; K269-K273 PolarHBondContact O-N 3.24Å
270	N	98.1	Very high	94.5	Very high	27 Å²	27	51 Å²	51	14%	0.144	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-47	177	-74.7	-36.5	0	0	0	111.5	Y38 E266 I267 V268 T272 K273 M274	Y38-N270 HydrophobicContact CE1-CB 4.28Å; E266-N270 WeakPolarHBondContact O-CB 3.23Å; E266-N270 VanDerWaalsContact O-CG 3.3Å; E266-N270 PolarHBondContact O-N 3.13Å; E266-N270 PolarHBondContact O-ND2 3.27Å; E266-N270 PolarHBondContact OE1-ND2 2.85Å; I267-N270 CarbonylContact O-C 3.57Å; I267-N270 PolarHBondContact O-N 3.09Å; I267-N270 VanDerWaalsContact O-N 3.1Å; V268-N270 VanDerWaalsContact C-N 3.35Å; N270-T272 VanDerWaalsContact C-N 3.34Å; N270-T272 PolarHBondContact O-N 2.99Å; N270-K273 PolarHBondContact O-N 2.9Å; N270-M274 VanDerWaalsContact O-CB 3.25Å; N270-M274 WeakPolarHBondContact O-CB 3.33Å; N270-M274 WeakPolarHBondContact O-CG 3.41Å; N270-M274 PolarHBondContact O-N 3.35Å
271	L	98.4	Very high	94	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55.2	-48.6	174.8	-66	170.2	0	0	0	111.8	Y38 I267 V268 M274 A275 I318 L320 V330 L356 F359	Y38-L271 HydrophobicContact CD1-CD2 4.04Å; Y38-L271 HydrophobicContact CE1-CD2 4.32Å; I267-L271 HydrophobicContact CG2-CD1 3.87Å; I267-L271 HydrophobicContact CG2-CG 4.24Å; I267-L271 VanDerWaalsContact O-CG 3.31Å; I267-L271 WeakPolarHBondContact O-CG 3.3Å; I267-L271 PolarHBondContact O-N 2.87Å; V268-L271 PolarHBondContact O-N 2.93Å; L271-M274 PolarHBondContact O-N 2.8Å; L271-A275 WeakPolarHBondContact O-CB 3.29Å; L271-A275 PolarHBondContact O-N 2.85Å; L271-I318 HydrophobicContact CD1-CG2 4.05Å; L271-I318 HydrophobicContact CD2-CG2 4.25Å; L271-L320 HydrophobicContact CD2-CB 3.81Å; L271-L320 HydrophobicContact CD2-CD1 4.34Å; L271-L320 HydrophobicContact CD2-CG 4.46Å; L271-L320 WeakPolarHBondContact O-CD2 3.42Å; L271-V330 HydrophobicContact CD1-CG1 4.31Å; L271-V330 HydrophobicContact CD1-CG2 4.14Å; L271-L356 HydrophobicContact CB-CD1 3.94Å; L271-F359 HydrophobicContact CD1-CD1 4.23Å; L271-F359 HydrophobicContact CD1-CE1 3.86Å; L271-F359 HydrophobicContact CD1-CZ 4.49Å
272	T	97.9	Very high	93.7	Very high	65 Å²	65	59 Å²	59	40%	0.399	31%	0.314	S	S	.	.	H	α-helix	trans	-61.8	-46.7	178.7	-55.2	0	0	0	0	111.5	V268 N270 M274 A275	V268-T272 WeakPolarHBondContact O-CB 3.36Å; V268-T272 PolarHBondContact O-N 3.21Å; V268-T272 PolarHBondContact O-OG1 2.9Å; N270-T272 VanDerWaalsContact C-N 3.34Å; N270-T272 PolarHBondContact O-N 2.99Å; T272-M274 PolarHBondContact O-N 2.85Å; T272-A275 PolarHBondContact O-N 2.8Å
273	K	96.6	Very high	93.6	Very high	123 Å²	123	59.5 Å²	59.5	54%	0.535	32%	0.317	S	S	.	.	H	α-helix	trans	-56	-54.2	175	179.1	179.2	177.8	-176.5	0	109.3	K269 N270 A275 A276 R281	K269-K273 VanDerWaalsContact O-CB 3.23Å; K269-K273 WeakPolarHBondContact O-CB 3.26Å; K269-K273 PolarHBondContact O-N 3.24Å; N270-K273 PolarHBondContact O-N 2.9Å; K273-A275 VanDerWaalsContact C-N 3.33Å; K273-A275 PolarHBondContact O-N 2.84Å; K273-A276 PolarHBondContact O-N 2.61Å; K273-R281 PolarHBondContact O-NH1 2.88Å; K273-R281 PolarHBondContact O-NH2 3.26Å
274	M	96.1	Very high	93.6	Very high	19 Å²	19	62.1 Å²	62.1	9%	0.094	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-30.7	-173.8	-67.3	-53.5	-63.2	0	0	113.7	Y38 N270 L271 T272 A276 R281 L283 L320	Y38-M274 HydrophobicContact CD1-CB 4.11Å; Y38-M274 HydrophobicContact CD1-CG 3.87Å; Y38-M274 HydrophobicContact CD2-CB 4.43Å; Y38-M274 HydrophobicContact CD2-CE 3.65Å; Y38-M274 HydrophobicContact CD2-CG 3.71Å; Y38-M274 HydrophobicContact CD2-SD 4.22Å; Y38-M274 HydrophobicContact CE1-CG 4.09Å; Y38-M274 HydrophobicContact CE2-CE 4.32Å; Y38-M274 HydrophobicContact CE2-CG 3.94Å; Y38-M274 HydrophobicContact CE2-SD 4.4Å; Y38-M274 HydrophobicContact CG-CB 3.92Å; Y38-M274 HydrophobicContact CG-CE 4.11Å; Y38-M274 HydrophobicContact CG-CG 3.64Å; N270-M274 VanDerWaalsContact O-CB 3.25Å; N270-M274 WeakPolarHBondContact O-CB 3.33Å; N270-M274 WeakPolarHBondContact O-CG 3.41Å; N270-M274 PolarHBondContact O-N 3.35Å; L271-M274 PolarHBondContact O-N 2.8Å; T272-M274 PolarHBondContact O-N 2.85Å; M274-A276 VanDerWaalsContact C-N 3.35Å; M274-A276 PolarHBondContact O-N 2.92Å; M274-R281 VanDerWaalsContact C-NH1 3.27Å; M274-R281 HydrophobicContact CE-CG 3.68Å; M274-R281 PolarHBondContact O-NH1 2.91Å; M274-R281 WeakPolarHBondContact SD-CD 3.47Å; M274-R281 HydrophobicContact SD-CG 4Å; M274-L283 HydrophobicContact CE-CB 4.32Å; M274-L283 WeakPolarHBondContact CE-O 3.42Å; M274-L320 HydrophobicContact CB-CD2 3.81Å
275	A	95.5	Very high	93.5	Very high	12 Å²	12	62.1 Å²	62.1	10%	0.099	33%	0.328	C	S	.	.	H	α-helix	trans	-70.6	-25.2	177	0	0	0	0	0	114.6	L271 T272 K273 L320 R322 A328 L356	L271-A275 WeakPolarHBondContact O-CB 3.29Å; L271-A275 PolarHBondContact O-N 2.85Å; T272-A275 PolarHBondContact O-N 2.8Å; K273-A275 VanDerWaalsContact C-N 3.33Å; K273-A275 PolarHBondContact O-N 2.84Å; A275-L320 HydrophobicContact CB-CD1 4.48Å; A275-L320 HydrophobicContact CB-CD2 4.07Å; A275-R322 PolarHBondContact O-NH1 2.77Å; A275-A328 HydrophobicContact CB-CB 4.03Å; A275-L356 HydrophobicContact CB-CD2 3.33Å
276	A	92.1	Very high	93.6	Very high	50 Å²	50	62.3 Å²	62.3	41%	0.413	33%	0.325	S	S	.	.	S	Bend	trans	-78.3	126.4	177.7	0	0	0	0	0	110.6	K273 M274 H278 R281	K273-A276 PolarHBondContact O-N 2.61Å; M274-A276 VanDerWaalsContact C-N 3.35Å; M274-A276 PolarHBondContact O-N 2.92Å; A276-H278 PolarHBondContact O-N 2.61Å; A276-R281 PolarHBondContact O-NH1 3.05Å
277	P	81.4	Confident	93.6	Very high	124 Å²	124	59.5 Å²	59.5	81%	0.805	31%	0.311	S	S	*	.			trans	-57.2	132.8	-179.1	-23	32.4	0	0	0	112.4
278	H	85	Confident	93.6	Very high	99 Å²	99	59.5 Å²	59.5	46%	0.458	31%	0.312	S	S	.	.			trans	-147.7	118	176.1	-167.5	-76.4	0	0	0	111.3	A276 Q280 R281	A276-H278 PolarHBondContact O-N 2.61Å; H278-Q280 VanDerWaalsContact C-N 3.26Å; H278-Q280 PolarHBondContact ND1-N 2.85Å; H278-Q280 PolarHBondContact O-N 3.16Å; H278-Q280 VanDerWaalsContact O-N 3.1Å; H278-R281 HydrophobicContact CB-CB 3.98Å; H278-R281 WeakPolarHBondContact O-CB 3.3Å; H278-R281 PolarHBondContact O-N 3.09Å
279	P	76.4	Confident	93.6	Very high	137 Å²	137	58.9 Å²	58.9	89%	0.89	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-31	-170.2	-25.9	33	0	0	0	115.4
280	Q	80.9	Confident	93.6	Very high	160 Å²	160	53 Å²	53	75%	0.748	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	1.6	-177.4	-62.5	177.3	-12.3	0	0	113.9	H278 Q282	H278-Q280 VanDerWaalsContact C-N 3.26Å; H278-Q280 PolarHBondContact ND1-N 2.85Å; H278-Q280 PolarHBondContact O-N 3.16Å; H278-Q280 VanDerWaalsContact O-N 3.1Å; Q280-Q282 PolarHBondContact O-N 2.83Å
281	R	87.3	Confident	93.6	Very high	66 Å²	66	52.3 Å²	52.3	25%	0.249	28%	0.278	C	S	.	.			trans	-85.3	114.5	-173.8	-179.4	-178.1	-71.6	165.3	4.2	110.5	K273 M274 A276 H278	K273-R281 PolarHBondContact O-NH1 2.88Å; K273-R281 PolarHBondContact O-NH2 3.26Å; M274-R281 VanDerWaalsContact C-NH1 3.27Å; M274-R281 HydrophobicContact CE-CG 3.68Å; M274-R281 PolarHBondContact O-NH1 2.91Å; M274-R281 WeakPolarHBondContact SD-CD 3.47Å; M274-R281 HydrophobicContact SD-CG 4Å; A276-R281 PolarHBondContact O-NH1 3.05Å; H278-R281 HydrophobicContact CB-CB 3.98Å; H278-R281 WeakPolarHBondContact O-CB 3.3Å; H278-R281 PolarHBondContact O-N 3.09Å
282	Q	92.1	Very high	93.7	Very high	103 Å²	103	53.1 Å²	53.1	48%	0.481	28%	0.282	S	S	.	.			trans	-113.7	-14.2	-178.9	-63.1	178.2	22.2	0	0	113	H101 E102 Q280 K284	H101-Q282 HydrophobicContact CB-CB 3.82Å; H101-Q282 CarbonylContact O-C 3.14Å; E102-Q282 WeakPolarHBondContact CA-O 3.39Å; Q280-Q282 PolarHBondContact O-N 2.83Å; Q282-K284 PolarHBondContact O-N 3.29Å
283	L	96.9	Very high	93.7	Very high	45 Å²	45	51.1 Å²	51.1	24%	0.236	27%	0.27	C	S	.	.			trans	-60.4	128.4	-179.6	-176.9	67	0	0	0	109.8	Y38 H101 L104 M274	Y38-L283 HydrophobicContact CE2-CD2 3.96Å; Y38-L283 HydrophobicContact CE2-CG 4.07Å; H101-L283 WeakPolarHBondContact O-CA 3.18Å; H101-L283 PolarHBondContact O-N 2.85Å; L104-L283 HydrophobicContact CB-CD1 3.87Å; M274-L283 HydrophobicContact CE-CB 4.32Å; M274-L283 WeakPolarHBondContact CE-O 3.42Å
284	K	98	Very high	93.8	Very high	56 Å²	56	45.2 Å²	45.2	24%	0.243	25%	0.245	C	C	.	.			trans	-120.4	-39	-178.6	-76.9	178.7	179.5	175.7	0	111.7	Y38 A39 F93 L94 E102 Q282	Y38-K284 CarbonylContact C-O 3.43Å; Y38-K284 WeakPolarHBondContact CA-O 3.37Å; Y38-K284 VanDerWaalsContact CD2-O 3.31Å; Y38-K284 WeakPolarHBondContact CD2-O 3.35Å; A39-K284 PolarHBondContact N-O 2.98Å; F93-K284 HydrophobicContact CD2-CD 4.41Å; F93-K284 HydrophobicContact CE1-CB 3.69Å; F93-K284 HydrophobicContact CE1-CG 4.35Å; F93-K284 WeakPolarHBondContact CE1-O 3.37Å; F93-K284 HydrophobicContact CE2-CB 4.17Å; F93-K284 HydrophobicContact CE2-CD 4.07Å; F93-K284 HydrophobicContact CE2-CG 3.94Å; F93-K284 HydrophobicContact CZ-CB 3.46Å; F93-K284 VanDerWaalsContact CZ-CB 3.46Å; F93-K284 HydrophobicContact CZ-CD 4.18Å; F93-K284 HydrophobicContact CZ-CG 3.72Å; F93-K284 VanDerWaalsContact O-CD 3.31Å; F93-K284 WeakPolarHBondContact O-CD 3.48Å; F93-K284 WeakPolarHBondContact O-CE 3.09Å; F93-K284 PolarHBondContact O-NZ 3.28Å; L94-K284 HydrophobicContact CD2-CB 3.75Å; L94-K284 HydrophobicContact CD2-CD 4.19Å; E102-K284 HydrophobicContact CB-CD 4.39Å; E102-K284 HydrophobicContact CG-CD 4.14Å; E102-K284 WeakPolarHBondContact O-CA 3.41Å; E102-K284 WeakPolarHBondContact O-CB 3.26Å; E102-K284 PolarHBondContact O-N 3.42Å; E102-K284 WeakPolarHBondContact OE1-CE 3.45Å; E102-K284 IonicContact OE1-NZ 3.45Å; E102-K284 PolarHBondContact OE1-NZ 3.39Å; E102-K284 IonicContact OE2-NZ 2.82Å; Q282-K284 PolarHBondContact O-N 3.29Å
285	L	98.8	Very high	93.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.1	-176.2	179.8	64	0	0	0	112	A39 V41 Y90 L94 E102 I103 L104 L124 M287	A39-L285 HydrophobicContact CB-CD1 4.01Å; A39-L285 CarbonylContact O-C 3.53Å; A39-L285 WeakPolarHBondContact O-CA 3.27Å; V41-L285 HydrophobicContact CG1-CD1 4.02Å; V41-L285 HydrophobicContact CG2-CD1 4.04Å; Y90-L285 HydrophobicContact CE2-CD1 4.19Å; L94-L285 HydrophobicContact CD1-CB 4.43Å; L94-L285 HydrophobicContact CD1-CD2 3.78Å; L94-L285 HydrophobicContact CD2-CB 4.04Å; E102-L285 PolarHBondContact O-N 2.95Å; I103-L285 WeakPolarHBondContact CA-O 3.44Å; I103-L285 HydrophobicContact CD1-CD2 3.78Å; I103-L285 HydrophobicContact CD1-CG 4.32Å; I103-L285 HydrophobicContact CG1-CB 4.16Å; I103-L285 HydrophobicContact CG1-CD2 4.28Å; I103-L285 HydrophobicContact CG1-CG 4.28Å; L104-L285 PolarHBondContact N-O 3.31Å; L124-L285 HydrophobicContact CD2-CD2 4.11Å; L285-M287 HydrophobicContact CD1-CG 4.49Å; L285-M287 HydrophobicContact CD2-CG 3.81Å; L285-M287 HydrophobicContact CD2-SD 4.08Å; L285-M287 HydrophobicContact CG-CG 3.89Å
286	M	98.8	Very high	94.1	Very high	21 Å²	21	43.8 Å²	43.8	10%	0.103	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.7	164.6	-176.2	68.8	177.5	0	0	109.6	Y38 A39 T40 V41 L104 R106 L288	Y38-M286 HydrophobicContact CE2-CB 4.39Å; Y38-M286 VanDerWaalsContact OH-CB 3.3Å; Y38-M286 WeakPolarHBondContact OH-CB 3.24Å; A39-M286 PolarHBondContact O-N 3.17Å; T40-M286 CarbonylContact C-O 3.6Å; T40-M286 WeakPolarHBondContact CA-O 3.45Å; T40-M286 HydrophobicContact CG2-CB 4.31Å; T40-M286 HydrophobicContact CG2-CG 4.39Å; V41-M286 PolarHBondContact N-O 3.31Å; L104-M286 HydrophobicContact CB-SD 3.75Å; L104-M286 HydrophobicContact CD2-CE 3.94Å; L104-M286 HydrophobicContact CD2-SD 3.61Å; L104-M286 HydrophobicContact CG-CE 4.2Å; L104-M286 HydrophobicContact CG-SD 3.7Å; L104-M286 WeakPolarHBondContact O-CA 3.47Å; R106-M286 HydrophobicContact CB-CE 3.94Å; M286-L288 HydrophobicContact CE-CD2 3.42Å; M286-L288 VanDerWaalsContact CE-CD2 3.42Å; M286-L288 HydrophobicContact CG-CD2 3.94Å; M286-L288 HydrophobicContact CG-CG 4.2Å; M286-L288 HydrophobicContact SD-CD2 4.42Å
287	M	98.9	Very high	94.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.2	175.2	-65.1	-177.2	72.5	0	0	110.4	V41 F43 L86 I103 L104 V105 R106 N120 L121 L124 L285	V41-M287 HydrophobicContact CG2-CB 4.1Å; V41-M287 HydrophobicContact CG2-CG 3.66Å; F43-M287 HydrophobicContact CE1-CB 4.12Å; F43-M287 HydrophobicContact CE1-CE 3.68Å; F43-M287 HydrophobicContact CZ-CE 3.89Å; L86-M287 HydrophobicContact CD1-CE 4.22Å; I103-M287 HydrophobicContact CD1-CG 4.19Å; I103-M287 HydrophobicContact CD1-SD 3.59Å; I103-M287 VanDerWaalsContact CD1-SD 3.59Å; I103-M287 HydrophobicContact CG1-SD 4.45Å; L104-M287 PolarHBondContact O-N 3.2Å; V105-M287 WeakPolarHBondContact CA-O 3.27Å; V105-M287 HydrophobicContact CB-CB 4.34Å; V105-M287 HydrophobicContact CG1-CB 4.07Å; V105-M287 HydrophobicContact CG2-CB 4.07Å; V105-M287 HydrophobicContact CG2-CG 4.43Å; V105-M287 HydrophobicContact CG2-SD 4.07Å; R106-M287 PolarHBondContact N-O 3.47Å; N120-M287 HydrophobicContact CB-CE 4.32Å; N120-M287 WeakPolarHBondContact OD1-CE 3.44Å; L121-M287 HydrophobicContact CD2-CE 4.47Å; L121-M287 HydrophobicContact CD2-SD 3.86Å; L124-M287 HydrophobicContact CD2-CE 4.34Å; L124-M287 HydrophobicContact CD2-SD 3.75Å; L285-M287 HydrophobicContact CD1-CG 4.49Å; L285-M287 HydrophobicContact CD2-CG 3.81Å; L285-M287 HydrophobicContact CD2-SD 4.08Å; L285-M287 HydrophobicContact CG-CG 3.89Å
288	L	98.9	Very high	95.2	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	106.9	-179.4	-55.1	175.2	0	0	0	109.2	T40 V41 L42 F43 R106 L155 L263 M286	T40-L288 HydrophobicContact CG2-CD1 3.75Å; T40-L288 HydrophobicContact CG2-CG 4.31Å; V41-L288 PolarHBondContact O-N 2.98Å; L42-L288 WeakPolarHBondContact CA-O 3.49Å; L42-L288 HydrophobicContact CB-CB 4.34Å; L42-L288 HydrophobicContact CD1-CB 3.64Å; L42-L288 HydrophobicContact CD1-CD1 4.4Å; F43-L288 PolarHBondContact N-O 2.9Å; R106-L288 HydrophobicContact CB-CD2 4.11Å; R106-L288 CarbonylContact O-C 3.51Å; R106-L288 WeakPolarHBondContact O-CA 3.25Å; L155-L288 HydrophobicContact CD1-CB 4.42Å; L155-L288 HydrophobicContact CD1-CD2 4.21Å; L155-L288 HydrophobicContact CD2-CB 3.98Å; L155-L288 HydrophobicContact CD2-CD1 4.17Å; L155-L288 HydrophobicContact CD2-CD2 4.3Å; L155-L288 HydrophobicContact CD2-CG 4.39Å; L263-L288 HydrophobicContact CD1-CD1 3.94Å; M286-L288 HydrophobicContact CE-CD2 3.42Å; M286-L288 VanDerWaalsContact CE-CD2 3.42Å; M286-L288 HydrophobicContact CG-CD2 3.94Å; M286-L288 HydrophobicContact CG-CG 4.2Å; M286-L288 HydrophobicContact SD-CD2 4.42Å
289	S	98.9	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.9	177.1	-173.1	0	0	0	0	110.7	F43 R106 S107 T108 T113	F43-S289 VanDerWaalsContact CE2-CB 3.4Å; F43-S289 WeakPolarHBondContact CE2-OG 3.48Å; R106-S289 PolarHBondContact O-N 3.34Å; S107-S289 VanDerWaalsContact CA-O 3.29Å; S107-S289 WeakPolarHBondContact CA-O 3.38Å; T108-S289 PolarHBondContact N-O 2.84Å; T113-S289 PolarHBondContact O-OG 3.12Å
290	A	98.9	Very high	96.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	-149.6	-169.3	0	0	0	0	0	112.9	L42 F43 R44 H45 T113 L155 T294	L42-A290 HydrophobicContact CD1-CB 3.94Å; F43-A290 PolarHBondContact O-N 3.07Å; R44-A290 WeakPolarHBondContact CA-O 3.47Å; H45-A290 PolarHBondContact N-O 2.89Å; T113-A290 VanDerWaalsContact CG2-O 3.27Å; T113-A290 WeakPolarHBondContact CG2-O 3.38Å; L155-A290 HydrophobicContact CB-CB 4.19Å; L155-A290 HydrophobicContact CD2-CB 4.4Å; A290-T294 HydrophobicContact CB-CG2 3.74Å
291	H	98.8	Very high	97.8	Very high	13 Å²	13	17 Å²	17	6%	0.06	8%	0.08	C	C	.	.			trans	-111.2	169	-171.9	-52.3	-64.2	0	0	0	112.4	H45 T108 T293 T294 V295	H45-H291 AromaticContact CD2-ND1 3.82Å; T108-H291 PolarHBondContact OG1-NE2 3.05Å; H291-T293 VanDerWaalsContact C-N 3.29Å; H291-T294 PolarHBondContact N-OG1 3.14Å; H291-T294 WeakPolarHBondContact O-CB 3.19Å; H291-T294 PolarHBondContact O-N 2.61Å; H291-V295 PolarHBondContact O-N 3.24Å
292	D	98.6	Very high	98.3	Very high	17 Å²	17	14 Å²	14	9%	0.091	7%	0.069	C	C	.	.	H	α-helix	trans	-58.5	-43.4	168.5	36.1	19.7	0	0	0	111.2	R44 F243 T294 V295 V296 Q309 A310	R44-D292 HydrophobicContact CG-CB 4.39Å; R44-D292 IonicContact CZ-OD2 3.96Å; R44-D292 IonicContact NE-OD2 2.93Å; R44-D292 PolarHBondContact NE-OD2 3.41Å; R44-D292 IonicContact NH1-OD2 2.78Å; R44-D292 IonicContact NH2-OD2 3.15Å; R44-D292 PolarHBondContact NH2-OD2 3.32Å; F243-D292 HydrophobicContact CE1-CB 4.11Å; F243-D292 HydrophobicContact CZ-CB 4.11Å; D292-T294 PolarHBondContact O-N 3.33Å; D292-V295 PolarHBondContact O-N 2.68Å; D292-V296 WeakPolarHBondContact O-CG2 3.25Å; D292-V296 PolarHBondContact O-N 3.25Å; D292-Q309 HydrophobicContact CB-CG 4Å; D292-Q309 PolarHBondContact OD2-NE2 2.87Å; D292-A310 HydrophobicContact CB-CB 4.11Å
293	T	98.4	Very high	98.6	Very high	23 Å²	23	12.9 Å²	12.9	14%	0.141	7%	0.066	C	C	.	.	H	α-helix	trans	-58.4	-35.6	176.1	54.7	0	0	0	0	112	F157 F243 H291 V296 A297	F157-T293 WeakPolarHBondContact O-CB 3.47Å; F157-T293 PolarHBondContact O-OG1 2.04Å; F243-T293 HydrophobicContact CD1-CG2 4.43Å; F243-T293 HydrophobicContact CE1-CG2 3.59Å; F243-T293 HydrophobicContact CZ-CG2 4.07Å; H291-T293 VanDerWaalsContact C-N 3.29Å; T293-V296 PolarHBondContact O-N 3.2Å; T293-A297 WeakPolarHBondContact O-CB 3.17Å; T293-A297 PolarHBondContact O-N 3.39Å
294	T	98.9	Very high	98.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.2	-46.2	177	-38	0	0	0	0	112.3	L42 L155 F157 L263 A290 H291 D292 V296 A297 L298	L42-T294 HydrophobicContact CD1-CG2 3.94Å; L42-T294 HydrophobicContact CD2-CG2 4.24Å; L155-T294 HydrophobicContact CB-CG2 4.44Å; L155-T294 HydrophobicContact CD2-CG2 4.1Å; L155-T294 WeakPolarHBondContact O-CB 3.43Å; L155-T294 VanDerWaalsContact O-CG2 3.25Å; L155-T294 WeakPolarHBondContact O-CG2 3.26Å; L155-T294 PolarHBondContact O-OG1 2.81Å; F157-T294 HydrophobicContact CD2-CG2 3.91Å; F157-T294 HydrophobicContact CE2-CG2 4Å; L263-T294 HydrophobicContact CD2-CG2 3.86Å; A290-T294 HydrophobicContact CB-CG2 3.74Å; H291-T294 PolarHBondContact N-OG1 3.14Å; H291-T294 WeakPolarHBondContact O-CB 3.19Å; H291-T294 PolarHBondContact O-N 2.61Å; D292-T294 PolarHBondContact O-N 3.33Å; T294-V296 VanDerWaalsContact C-N 3.34Å; T294-A297 PolarHBondContact O-N 3Å; T294-L298 PolarHBondContact O-N 3.4Å; T294-L298 VanDerWaalsContact O-N 3.07Å
295	V	98.9	Very high	98.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61	-46.3	175.9	175.8	0	0	0	0	110.2	L42 R44 H291 D292 L298 Q299 A310 Y334	L42-V295 HydrophobicContact CD2-CG2 4.21Å; L42-V295 HydrophobicContact CG-CG2 4.17Å; R44-V295 HydrophobicContact CB-CG2 4.5Å; H291-V295 PolarHBondContact O-N 3.24Å; D292-V295 PolarHBondContact O-N 2.68Å; V295-L298 PolarHBondContact O-N 3.18Å; V295-Q299 HydrophobicContact CG1-CG 4.49Å; V295-Q299 WeakPolarHBondContact O-CB 3.33Å; V295-Q299 WeakPolarHBondContact O-CG 3.32Å; V295-Q299 PolarHBondContact O-N 3.16Å; V295-A310 HydrophobicContact CB-CB 3.81Å; V295-A310 HydrophobicContact CG1-CB 3.78Å; V295-A310 HydrophobicContact CG2-CB 4.4Å; V295-Y334 HydrophobicContact CG1-CE2 3.89Å
296	V	98.6	Very high	98.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.3	-42.9	179.2	175.3	0	0	0	0	111.7	F243 F247 D292 T293 T294 L298 Q299 A300 F305 A310	F243-V296 HydrophobicContact CB-CG1 4.39Å; F243-V296 HydrophobicContact CD1-CB 3.97Å; F243-V296 HydrophobicContact CD1-CG1 4.06Å; F243-V296 HydrophobicContact CD1-CG2 3.72Å; F243-V296 HydrophobicContact CE1-CG2 4.17Å; F247-V296 HydrophobicContact CD2-CB 4.37Å; F247-V296 HydrophobicContact CD2-CG1 3.65Å; F247-V296 HydrophobicContact CE2-CB 4.38Å; F247-V296 HydrophobicContact CE2-CG1 4.1Å; D292-V296 WeakPolarHBondContact O-CG2 3.25Å; D292-V296 PolarHBondContact O-N 3.25Å; T293-V296 PolarHBondContact O-N 3.2Å; T294-V296 VanDerWaalsContact C-N 3.34Å; V296-L298 VanDerWaalsContact C-N 3.34Å; V296-L298 PolarHBondContact O-N 3.39Å; V296-Q299 PolarHBondContact O-N 3.46Å; V296-A300 VanDerWaalsContact O-CB 3.29Å; V296-A300 WeakPolarHBondContact O-CB 3.31Å; V296-A300 PolarHBondContact O-N 2.78Å; V296-F305 HydrophobicContact CB-CD2 4.44Å; V296-F305 HydrophobicContact CB-CE2 4.1Å; V296-F305 HydrophobicContact CB-CZ 4.36Å; V296-F305 HydrophobicContact CG1-CD1 4.02Å; V296-F305 HydrophobicContact CG1-CD2 3.89Å; V296-F305 HydrophobicContact CG1-CE1 3.69Å; V296-F305 HydrophobicContact CG1-CE2 3.59Å; V296-F305 HydrophobicContact CG1-CG 4.12Å; V296-F305 HydrophobicContact CG1-CZ 3.48Å; V296-F305 VanDerWaalsContact CG1-CZ 3.48Å; V296-F305 HydrophobicContact CG2-CD2 4.23Å; V296-F305 HydrophobicContact CG2-CE2 3.54Å; V296-F305 HydrophobicContact CG2-CZ 3.93Å; V296-A310 HydrophobicContact CG2-CB 4.48Å
297	A	98.8	Very high	98.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.6	-44.7	178.3	0	0	0	0	0	111.4	F157 F247 T293 T294 S301	F157-A297 HydrophobicContact CB-CB 4.07Å; F157-A297 HydrophobicContact CD2-CB 3.84Å; F157-A297 HydrophobicContact CE2-CB 4.43Å; F157-A297 HydrophobicContact CG-CB 3.93Å; F247-A297 HydrophobicContact CD1-CB 3.96Å; F247-A297 HydrophobicContact CD2-CB 4.48Å; F247-A297 HydrophobicContact CE1-CB 3.65Å; F247-A297 HydrophobicContact CE2-CB 4.18Å; F247-A297 HydrophobicContact CG-CB 4.36Å; F247-A297 HydrophobicContact CZ-CB 3.76Å; T293-A297 WeakPolarHBondContact O-CB 3.17Å; T293-A297 PolarHBondContact O-N 3.39Å; T294-A297 PolarHBondContact O-N 3Å; A297-S301 PolarHBondContact O-N 2.89Å; A297-S301 VanDerWaalsContact O-N 3.08Å; A297-S301 PolarHBondContact O-OG 3.35Å
298	L	98.9	Very high	98.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.7	-49	175.2	177.9	60.2	0	0	0	111.4	L42 L263 L264 I267 T294 V295 V296 A300 S301 L302 I318	L42-L298 HydrophobicContact CD2-CB 4.05Å; L42-L298 HydrophobicContact CD2-CD2 3.55Å; L42-L298 HydrophobicContact CD2-CG 4.45Å; L263-L298 HydrophobicContact CD2-CB 4.29Å; L263-L298 HydrophobicContact CD2-CD2 4.45Å; L263-L298 HydrophobicContact CG-CD1 4.48Å; L264-L298 HydrophobicContact CB-CD1 4.04Å; L264-L298 HydrophobicContact CD1-CD1 4.16Å; I267-L298 HydrophobicContact CD1-CD1 3.83Å; I267-L298 HydrophobicContact CD1-CD2 3.79Å; T294-L298 PolarHBondContact O-N 3.4Å; T294-L298 VanDerWaalsContact O-N 3.07Å; V295-L298 PolarHBondContact O-N 3.18Å; V296-L298 VanDerWaalsContact C-N 3.34Å; V296-L298 PolarHBondContact O-N 3.39Å; L298-A300 VanDerWaalsContact C-N 3.31Å; L298-A300 PolarHBondContact O-N 2.77Å; L298-S301 PolarHBondContact O-N 3.48Å; L298-L302 HydrophobicContact CD1-CD1 3.96Å; L298-L302 HydrophobicContact CD1-CG 4.31Å; L298-L302 HydrophobicContact CG-CD1 3.9Å; L298-L302 WeakPolarHBondContact O-CG 3.41Å; L298-L302 PolarHBondContact O-N 3.43Å; L298-I318 HydrophobicContact CD2-CD1 4.37Å
299	Q	98.9	Very high	98.3	Very high	4 Å²	4	22 Å²	22	2%	0.019	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-34.4	-179	-72.2	-177.3	-14	0	0	112.7	V295 V296 L302 N303 V304 F305 H316 Y334	V295-Q299 HydrophobicContact CG1-CG 4.49Å; V295-Q299 WeakPolarHBondContact O-CB 3.33Å; V295-Q299 WeakPolarHBondContact O-CG 3.32Å; V295-Q299 PolarHBondContact O-N 3.16Å; V296-Q299 PolarHBondContact O-N 3.46Å; Q299-L302 PolarHBondContact O-N 2.84Å; Q299-N303 PolarHBondContact O-N 2.91Å; Q299-N303 VanDerWaalsContact O-N 3.08Å; Q299-V304 HydrophobicContact CB-CG2 4.09Å; Q299-V304 HydrophobicContact CG-CG2 4.23Å; Q299-V304 PolarHBondContact O-N 3Å; Q299-F305 HydrophobicContact CB-CB 3.97Å; Q299-F305 HydrophobicContact CB-CD2 4.38Å; Q299-F305 PolarHBondContact O-N 2.95Å; Q299-H316 PolarHBondContact NE2-ND1 2.59Å; Q299-Y334 VanDerWaalsContact NE2-CD2 3.33Å
300	A	98.6	Very high	98.3	Very high	2 Å²	2	22 Å²	22	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-67.9	-41.4	174.8	0	0	0	0	0	111.5	F247 Q252 V296 L298 L302 N303 F305	F247-A300 HydrophobicContact CB-CB 3.57Å; Q252-A300 PolarHBondContact NE2-O 3.41Å; V296-A300 VanDerWaalsContact O-CB 3.29Å; V296-A300 WeakPolarHBondContact O-CB 3.31Å; V296-A300 PolarHBondContact O-N 2.78Å; L298-A300 VanDerWaalsContact C-N 3.31Å; L298-A300 PolarHBondContact O-N 2.77Å; A300-L302 VanDerWaalsContact C-N 3.32Å; A300-L302 PolarHBondContact O-N 2.96Å; A300-N303 WeakPolarHBondContact O-CA 3.13Å; A300-N303 PolarHBondContact O-N 3.37Å; A300-F305 HydrophobicContact CB-CB 4.39Å
301	S	98.7	Very high	98.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	13%	0.13	C	C	.	.	H	α-helix	trans	-67.5	-29.7	174.1	-64.5	0	0	0	0	113.9	S256 G260 G261 A297 L298 F366	S256-S301 WeakPolarHBondContact CB-OG 3.19Å; S256-S301 VanDerWaalsContact OG-CA 3.31Å; S256-S301 WeakPolarHBondContact OG-CA 3.46Å; S256-S301 PolarHBondContact OG-OG 2.88Å; G260-S301 VanDerWaalsContact C-OG 3.23Å; G261-S301 PolarHBondContact N-OG 3.36Å; A297-S301 PolarHBondContact O-N 2.89Å; A297-S301 VanDerWaalsContact O-N 3.08Å; A297-S301 PolarHBondContact O-OG 3.35Å; L298-S301 PolarHBondContact O-N 3.48Å; S301-F366 WeakPolarHBondContact O-CB 3.14Å; S301-F366 VanDerWaalsContact O-CG 3.27Å; S301-F366 WeakPolarHBondContact O-CG 3.48Å
302	L	98.6	Very high	98.2	Very high	3 Å²	3	25 Å²	25	2%	0.016	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-6.9	169.9	-73.2	166.9	0	0	0	112.8	L264 L298 Q299 A300 V304 M332 L347 F359 T363	L264-L302 HydrophobicContact CD1-CD2 3.51Å; L264-L302 HydrophobicContact CD1-CG 4Å; L264-L302 HydrophobicContact CD2-CD2 4.24Å; L264-L302 HydrophobicContact CD2-CG 4.42Å; L298-L302 HydrophobicContact CD1-CD1 3.96Å; L298-L302 HydrophobicContact CD1-CG 4.31Å; L298-L302 HydrophobicContact CG-CD1 3.9Å; L298-L302 WeakPolarHBondContact O-CG 3.41Å; L298-L302 PolarHBondContact O-N 3.43Å; Q299-L302 PolarHBondContact O-N 2.84Å; A300-L302 VanDerWaalsContact C-N 3.32Å; A300-L302 PolarHBondContact O-N 2.96Å; L302-V304 VanDerWaalsContact C-N 3.3Å; L302-V304 HydrophobicContact CB-CG1 4.46Å; L302-V304 HydrophobicContact CB-CG2 3.68Å; L302-V304 HydrophobicContact CD1-CG2 4.43Å; L302-V304 PolarHBondContact O-N 3.29Å; L302-M332 HydrophobicContact CD1-SD 3.87Å; L302-M332 HydrophobicContact CD2-SD 4.08Å; L302-L347 HydrophobicContact CB-CD1 4.43Å; L302-L347 HydrophobicContact CD2-CD1 4.01Å; L302-L347 VanDerWaalsContact O-CD1 3.3Å; L302-L347 WeakPolarHBondContact O-CD1 3.33Å; L302-F359 HydrophobicContact CD2-CE2 4.31Å; L302-F359 HydrophobicContact CD2-CZ 3.86Å; L302-T363 HydrophobicContact CD2-CG2 3.97Å
303	N	97.7	Very high	98.2	Very high	80 Å²	80	24.7 Å²	24.7	43%	0.428	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	39.4	-173.1	-161.3	37.5	0	0	0	114.2	Q252 Q299 A300 P348	Q252-N303 PolarHBondContact NE2-OD1 3.43Å; Q299-N303 PolarHBondContact O-N 2.91Å; Q299-N303 VanDerWaalsContact O-N 3.08Å; A300-N303 WeakPolarHBondContact O-CA 3.13Å; A300-N303 PolarHBondContact O-N 3.37Å; N303-P348 HydrophobicContact CB-CG 4.27Å; N303-P348 WeakPolarHBondContact O-CG 3Å
304	V	98.3	Very high	98.2	Very high	32 Å²	32	23.7 Å²	23.7	19%	0.194	13%	0.125	C	C	.	.			trans	-126	9.6	-179.5	-61.9	0	0	0	0	112.9	Q299 L302 N306 V345 Q346	Q299-V304 HydrophobicContact CB-CG2 4.09Å; Q299-V304 HydrophobicContact CG-CG2 4.23Å; Q299-V304 PolarHBondContact O-N 3Å; L302-V304 VanDerWaalsContact C-N 3.3Å; L302-V304 HydrophobicContact CB-CG1 4.46Å; L302-V304 HydrophobicContact CB-CG2 3.68Å; L302-V304 HydrophobicContact CD1-CG2 4.43Å; L302-V304 PolarHBondContact O-N 3.29Å; V304-N306 PolarHBondContact O-N 3.38Å; V304-V345 HydrophobicContact CB-CG1 3.59Å; V304-V345 HydrophobicContact CG1-CG1 3.71Å; V304-V345 HydrophobicContact CG2-CG1 3.66Å; V304-Q346 WeakPolarHBondContact CG1-O 3.45Å
305	F	98.2	Very high	98.2	Very high	45 Å²	45	23.7 Å²	23.7	20%	0.197	13%	0.125	C	C	.	.			trans	-66.6	129.7	179.7	179.3	-133.6	0	0	0	111.5	F243 Q244 V296 Q299 A300 G307 K308	F243-F305 HydrophobicContact CB-CZ 4.32Å; Q244-F305 HydrophobicContact CG-CE1 3.85Å; V296-F305 HydrophobicContact CB-CD2 4.44Å; V296-F305 HydrophobicContact CB-CE2 4.1Å; V296-F305 HydrophobicContact CB-CZ 4.36Å; V296-F305 HydrophobicContact CG1-CD1 4.02Å; V296-F305 HydrophobicContact CG1-CD2 3.89Å; V296-F305 HydrophobicContact CG1-CE1 3.69Å; V296-F305 HydrophobicContact CG1-CE2 3.59Å; V296-F305 HydrophobicContact CG1-CG 4.12Å; V296-F305 HydrophobicContact CG1-CZ 3.48Å; V296-F305 VanDerWaalsContact CG1-CZ 3.48Å; V296-F305 HydrophobicContact CG2-CD2 4.23Å; V296-F305 HydrophobicContact CG2-CE2 3.54Å; V296-F305 HydrophobicContact CG2-CZ 3.93Å; Q299-F305 HydrophobicContact CB-CB 3.97Å; Q299-F305 HydrophobicContact CB-CD2 4.38Å; Q299-F305 PolarHBondContact O-N 2.95Å; A300-F305 HydrophobicContact CB-CB 4.39Å; F305-G307 VanDerWaalsContact C-N 3.3Å; F305-G307 VanDerWaalsContact CE1-CA 3.45Å; F305-G307 VanDerWaalsContact CZ-C 3.42Å; F305-G307 PolarHBondContact O-N 3.12Å; F305-K308 WeakPolarHBondContact CE2-O 3.44Å; F305-K308 WeakPolarHBondContact CZ-O 3.32Å
306	N	96.6	Very high	98.2	Very high	79 Å²	79	23.8 Å²	23.8	42%	0.422	13%	0.125	S	C	.	.			trans	-86.9	5.6	-176.4	68.8	11.3	0	0	0	114.4	V304 K308	V304-N306 PolarHBondContact O-N 3.38Å; N306-K308 PolarHBondContact O-N 3.32Å; N306-K308 WeakPolarHBondContact OD1-CB 3.25Å; N306-K308 PolarHBondContact OD1-N 3.21Å
307	G	96.9	Very high	98.3	Very high	13 Å²	13	23.8 Å²	23.8	13%	0.134	13%	0.125	C	C	.	.	S	Bend	trans	82	2.6	178.4	0	0	0	0	0	115.8	Q244 F305	Q244-G307 PolarHBondContact NE2-O 2.89Å; F305-G307 VanDerWaalsContact C-N 3.3Å; F305-G307 VanDerWaalsContact CE1-CA 3.45Å; F305-G307 VanDerWaalsContact CZ-C 3.42Å; F305-G307 PolarHBondContact O-N 3.12Å
308	K	97.1	Very high	98.3	Very high	120 Å²	120	23.9 Å²	23.9	52%	0.522	13%	0.126	S	C	.	.	S	Bend	trans	-117.1	151	-175.4	-60.1	178.5	-178.2	174.5	0	112.5	D240 F305 N306 A310	D240-K308 WeakPolarHBondContact OD1-CA 3.41Å; F305-K308 WeakPolarHBondContact CE2-O 3.44Å; F305-K308 WeakPolarHBondContact CZ-O 3.32Å; N306-K308 PolarHBondContact O-N 3.32Å; N306-K308 WeakPolarHBondContact OD1-CB 3.25Å; N306-K308 PolarHBondContact OD1-N 3.21Å; K308-A310 PolarHBondContact O-N 3.26Å
309	Q	97.1	Very high	98.3	Very high	30 Å²	30	24 Å²	24	14%	0.14	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-53.7	136.6	171.2	-159.3	173.4	8.6	0	0	111	K239 D240 F243 D292 P311	K239-Q309 HydrophobicContact CD-CB 4.28Å; K239-Q309 HydrophobicContact CD-CG 4.4Å; D240-Q309 PolarHBondContact OD1-N 3.32Å; F243-Q309 HydrophobicContact CE2-CB 4.5Å; F243-Q309 HydrophobicContact CE2-CG 3.87Å; F243-Q309 HydrophobicContact CZ-CG 3.84Å; D292-Q309 HydrophobicContact CB-CG 4Å; D292-Q309 PolarHBondContact OD2-NE2 2.87Å; Q309-P311 VanDerWaalsContact O-CD 3.26Å; Q309-P311 WeakPolarHBondContact O-CD 3.39Å
310	A	98.1	Very high	98.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-63.1	120.1	169.1	0	0	0	0	0	110	R44 D292 V295 V296 K308 Y334	R44-A310 VanDerWaalsContact CD-O 3.24Å; R44-A310 WeakPolarHBondContact CD-O 3.07Å; R44-A310 PolarHBondContact NH1-O 3.46Å; D292-A310 HydrophobicContact CB-CB 4.11Å; V295-A310 HydrophobicContact CB-CB 3.81Å; V295-A310 HydrophobicContact CG1-CB 3.78Å; V295-A310 HydrophobicContact CG2-CB 4.4Å; V296-A310 HydrophobicContact CG2-CB 4.48Å; K308-A310 PolarHBondContact O-N 3.26Å; A310-Y334 VanDerWaalsContact CA-OH 3.3Å; A310-Y334 WeakPolarHBondContact CA-OH 3.23Å; A310-Y334 WeakPolarHBondContact CB-OH 3.31Å
311	P	97.9	Very high	98.2	Very high	52 Å²	52	25 Å²	25	34%	0.338	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-62.3	162.4	178.6	-24.1	35.7	0	0	0	112.9	R44 Q309 S314 Y334 N336	R44-P311 VanDerWaalsContact CD-O 3.28Å; R44-P311 WeakPolarHBondContact CD-O 3.33Å; Q309-P311 VanDerWaalsContact O-CD 3.26Å; Q309-P311 WeakPolarHBondContact O-CD 3.39Å; P311-S314 VanDerWaalsContact O-CB 3.24Å; P311-S314 WeakPolarHBondContact O-CB 3.34Å; P311-S314 PolarHBondContact O-N 3.34Å; P311-S314 VanDerWaalsContact O-N 3.1Å; P311-S314 PolarHBondContact O-OG 3.02Å; P311-Y334 WeakPolarHBondContact CD-OH 3.42Å; P311-N336 HydrophobicContact CG-CB 4.21Å
312	Y	98.7	Very high	98.1	Very high	24 Å²	24	27.8 Å²	27.8	9%	0.094	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	140.6	172.5	-68	-49.1	0	0	0	111.1	R44 H45 G46 D47 R48 F214 C215 S314	R44-Y312 VanDerWaalsContact CZ-CD1 3.42Å; R44-Y312 VanDerWaalsContact CZ-CE1 3.44Å; R44-Y312 VanDerWaalsContact NH2-CE1 3.26Å; H45-Y312 AromaticContact CE1-CE1 3.79Å; G46-Y312 WeakPolarHBondContact O-CD1 3.35Å; D47-Y312 HydrophobicContact CB-CD2 3.79Å; D47-Y312 HydrophobicContact CB-CE2 4.06Å; D47-Y312 HydrophobicContact CB-CG 4.27Å; R48-Y312 HydrophobicContact CG-CE1 3.92Å; F214-Y312 HydrophobicContact CD1-CE2 4.33Å; F214-Y312 HydrophobicContact CE1-CD2 4.19Å; F214-Y312 AromaticContact CE1-CE2 3.49Å; F214-Y312 HydrophobicContact CE1-CE2 3.49Å; F214-Y312 VanDerWaalsContact CE1-CE2 3.49Å; F214-Y312 HydrophobicContact CZ-CE2 4.33Å; C215-Y312 PolarHBondContact SG-OH 2.94Å; Y312-S314 PolarHBondContact O-N 2.96Å
313	A	98.7	Very high	98	Very high	9 Å²	9	29.3 Å²	29.3	7%	0.074	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	16.2	-175.8	0	0	0	0	0	115.3	R44 H45 Q78	R44-A313 WeakPolarHBondContact O-CA 3.19Å; R44-A313 PolarHBondContact O-N 3.48Å; H45-A313 PolarHBondContact O-N 3.01Å; Q78-A313 HydrophobicContact CB-CB 3.8Å
314	S	98.8	Very high	97.7	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.021	16%	0.155	C	C	.	.			trans	-66.9	144.7	170.1	63.6	0	0	0	0	110.4	F43 R44 P311 Y312 Y334 R335	F43-S314 WeakPolarHBondContact CA-O 3.14Å; F43-S314 WeakPolarHBondContact CB-O 3.28Å; R44-S314 PolarHBondContact N-O 3.04Å; P311-S314 VanDerWaalsContact O-CB 3.24Å; P311-S314 WeakPolarHBondContact O-CB 3.34Å; P311-S314 PolarHBondContact O-N 3.34Å; P311-S314 VanDerWaalsContact O-N 3.1Å; P311-S314 PolarHBondContact O-OG 3.02Å; Y312-S314 PolarHBondContact O-N 2.96Å; S314-Y334 WeakPolarHBondContact CB-OH 3.02Å; S314-Y334 PolarHBondContact OG-OH 3.27Å; S314-R335 CarbonylContact C-O 3.4Å; S314-R335 WeakPolarHBondContact CA-O 3.29Å; S314-R335 WeakPolarHBondContact CB-O 3.34Å
315	C	98.9	Very high	97.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	121	-170.9	-175.1	0	0	0	0	110.5	L42 F43 L82 Y334 R335	L42-C315 CarbonylContact O-C 3.58Å; L42-C315 WeakPolarHBondContact O-CA 3.12Å; F43-C315 HydrophobicContact CB-CB 4.03Å; L82-C315 HydrophobicContact CD1-CB 3.9Å; L82-C315 HydrophobicContact CD2-CB 4.04Å; C315-Y334 WeakPolarHBondContact O-CD2 3.39Å; C315-R335 HydrophobicContact CB-CB 4.38Å; C315-R335 PolarHBondContact N-O 2.91Å; C315-R335 PolarHBondContact O-N 3.25Å
316	H	98.9	Very high	97.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.7	168.8	-166.5	70.3	0	0	0	109.1	L42 Q299 F333 Y334	L42-H316 PolarHBondContact N-O 2.85Å; L42-H316 PolarHBondContact O-N 3.4Å; Q299-H316 PolarHBondContact NE2-ND1 2.59Å; H316-F333 PolarHBondContact ND1-O 2.84Å; H316-Y334 HydrophobicContact CB-CD2 4.21Å
317	I	98.9	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.3	-172.4	-58.5	171.8	0	0	0	107.9	V41 Y85 Y90 E319 M332 F333 P342	V41-I317 HydrophobicContact CG1-CG1 4.12Å; V41-I317 HydrophobicContact CG1-CG2 4.29Å; Y85-I317 HydrophobicContact CE1-CD1 4.21Å; Y90-I317 VanDerWaalsContact OH-CG2 3.29Å; Y90-I317 WeakPolarHBondContact OH-CG2 3.33Å; I317-E319 HydrophobicContact CG2-CG 3.87Å; I317-M332 CarbonylContact O-C 3.58Å; I317-M332 VanDerWaalsContact O-CA 3.23Å; I317-M332 WeakPolarHBondContact O-CA 3.22Å; I317-F333 HydrophobicContact CB-CB 4.21Å; I317-F333 HydrophobicContact CG2-CD2 4.44Å; I317-F333 PolarHBondContact N-O 3.42Å; I317-F333 PolarHBondContact O-N 3.37Å; I317-P342 HydrophobicContact CD1-CG 4.46Å
318	I	98.9	Very high	97.1	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	117.2	175.7	-55.3	175.5	0	0	0	107.5	A39 T40 I267 L271 L298 V330 M332	A39-I318 CarbonylContact C-O 3.58Å; A39-I318 VanDerWaalsContact CA-O 3.32Å; A39-I318 WeakPolarHBondContact CA-O 3.36Å; T40-I318 PolarHBondContact N-O 3.21Å; T40-I318 PolarHBondContact O-N 2.9Å; I267-I318 HydrophobicContact CD1-CD1 4.1Å; I267-I318 HydrophobicContact CG2-CD1 3.84Å; L271-I318 HydrophobicContact CD1-CG2 4.05Å; L271-I318 HydrophobicContact CD2-CG2 4.25Å; L298-I318 HydrophobicContact CD2-CD1 4.37Å; I318-V330 HydrophobicContact CG2-CG1 3.63Å; I318-M332 HydrophobicContact CG1-CG 4.08Å; I318-M332 HydrophobicContact CG1-SD 4.43Å; I318-M332 HydrophobicContact CG2-CG 4.25Å
319	E	98.9	Very high	97.1	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.3	-174.6	-74.1	168.3	163.1	0	0	110.5	L36 A39 R89 Y90 I317 Y321 V330 S331 F333	L36-E319 HydrophobicContact CD1-CB 3.75Å; L36-E319 HydrophobicContact CD1-CG 3.93Å; A39-E319 HydrophobicContact CB-CG 4.13Å; R89-E319 IonicContact CZ-OE1 3.31Å; R89-E319 IonicContact CZ-OE2 2.69Å; R89-E319 IonicContact NE-OE1 3.03Å; R89-E319 PolarHBondContact NE-OE1 3.49Å; R89-E319 IonicContact NH2-OE1 2.71Å; R89-E319 PolarHBondContact NH2-OE1 3.29Å; R89-E319 IonicContact NH2-OE2 2.7Å; R89-E319 PolarHBondContact NH2-OE2 2.93Å; Y90-E319 HydrophobicContact CE1-CG 4.47Å; Y90-E319 VanDerWaalsContact CE1-OE1 3.26Å; Y90-E319 WeakPolarHBondContact CE1-OE1 3.37Å; Y90-E319 PolarHBondContact OH-OE1 3.17Å; I317-E319 HydrophobicContact CG2-CG 3.87Å; E319-Y321 HydrophobicContact CB-CD2 4.24Å; E319-Y321 HydrophobicContact CB-CE2 3.48Å; E319-Y321 VanDerWaalsContact CB-CE2 3.48Å; E319-Y321 PolarHBondContact OE2-OH 2.87Å; E319-V330 CarbonylContact O-C 3.55Å; E319-V330 VanDerWaalsContact O-CA 3.27Å; E319-V330 WeakPolarHBondContact O-CA 3.28Å; E319-S331 PolarHBondContact N-O 2.92Å; E319-S331 PolarHBondContact O-N 3.35Å; E319-F333 WeakPolarHBondContact OE2-CE2 3.39Å
320	L	98.7	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.2	175.7	-178.1	71	0	0	0	109.4	I37 Y38 L271 M274 A275 A328 S329 V330 L356	I37-L320 HydrophobicContact CD1-CD2 3.72Å; I37-L320 HydrophobicContact CD1-CG 3.91Å; I37-L320 HydrophobicContact CG1-CB 4.29Å; I37-L320 HydrophobicContact CG1-CD2 3.92Å; I37-L320 HydrophobicContact CG1-CG 3.84Å; I37-L320 VanDerWaalsContact CG1-O 3.23Å; I37-L320 WeakPolarHBondContact CG1-O 3.47Å; I37-L320 PolarHBondContact N-O 2.65Å; Y38-L320 PolarHBondContact N-O 3.43Å; Y38-L320 PolarHBondContact O-N 3.01Å; L271-L320 HydrophobicContact CD2-CB 3.81Å; L271-L320 HydrophobicContact CD2-CD1 4.34Å; L271-L320 HydrophobicContact CD2-CG 4.46Å; L271-L320 WeakPolarHBondContact O-CD2 3.42Å; M274-L320 HydrophobicContact CB-CD2 3.81Å; A275-L320 HydrophobicContact CB-CD1 4.48Å; A275-L320 HydrophobicContact CB-CD2 4.07Å; L320-A328 HydrophobicContact CD1-CB 4.01Å; L320-S329 WeakPolarHBondContact CA-O 3.42Å; L320-V330 HydrophobicContact CD1-CG2 4.09Å; L320-L356 HydrophobicContact CD1-CD1 4.26Å; L320-L356 HydrophobicContact CD1-CD2 4.16Å
321	Y	98.1	Very high	97.2	Very high	28 Å²	28	27 Å²	27	11%	0.11	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	148.6	179.2	-66.5	-92.5	0	0	0	111.5	R34 Q35 L36 E319 A328 S329	R34-Y321 HydrophobicContact CB-CD1 4.27Å; R34-Y321 HydrophobicContact CG-CD1 3.67Å; R34-Y321 HydrophobicContact CG-CE1 4.22Å; R34-Y321 HydrophobicContact CG-CG 4.15Å; Q35-Y321 CarbonylContact O-C 3.56Å; Q35-Y321 VanDerWaalsContact O-CA 3.24Å; Q35-Y321 WeakPolarHBondContact O-CA 3.49Å; L36-Y321 HydrophobicContact CB-CD1 4.08Å; L36-Y321 HydrophobicContact CB-CE1 3.78Å; L36-Y321 HydrophobicContact CD1-CD1 4.42Å; L36-Y321 HydrophobicContact CD1-CE1 4.06Å; L36-Y321 HydrophobicContact CD1-CE2 4.3Å; L36-Y321 HydrophobicContact CG-CE1 4.49Å; E319-Y321 HydrophobicContact CB-CD2 4.24Å; E319-Y321 HydrophobicContact CB-CE2 3.48Å; E319-Y321 VanDerWaalsContact CB-CE2 3.48Å; E319-Y321 PolarHBondContact OE2-OH 2.87Å; Y321-A328 VanDerWaalsContact O-CA 3.26Å; Y321-A328 WeakPolarHBondContact O-CA 3.14Å; Y321-S329 PolarHBondContact N-O 3.3Å; Y321-S329 PolarHBondContact O-N 2.78Å; Y321-S329 VanDerWaalsContact O-N 3.09Å
322	R	96.4	Very high	97.3	Very high	60 Å²	60	24.7 Å²	24.7	23%	0.226	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.4	160.8	-176.6	88.7	-57	163.6	3.6	108.4	R34 Q35 I37 A275 G326 S327	R34-R322 WeakPolarHBondContact CA-O 3.19Å; Q35-R322 HydrophobicContact CB-CB 4.4Å; Q35-R322 PolarHBondContact N-O 3.04Å; Q35-R322 PolarHBondContact O-N 3.28Å; I37-R322 HydrophobicContact CD1-CB 4.38Å; I37-R322 HydrophobicContact CG2-CB 3.86Å; A275-R322 PolarHBondContact O-NH1 2.77Å; R322-G326 PolarHBondContact NE-O 2.76Å; R322-G326 PolarHBondContact NH1-O 2.99Å; R322-G326 PolarHBondContact NH2-O 3.12Å; R322-S327 VanDerWaalsContact CZ-O 3.3Å; R322-S327 PolarHBondContact NE-O 3.16Å; R322-S327 PolarHBondContact NH2-O 2.83Å
323	E	95.4	Very high	97.3	Very high	35 Å²	35	24.9 Å²	24.9	16%	0.164	14%	0.141	C	C	.	.			trans	-85.5	160.2	175.9	-55.8	-57.4	146.7	0	0	111.1	R34 N325 G326 S327 S329	R34-E323 WeakPolarHBondContact CB-OE2 3.5Å; E323-N325 WeakPolarHBondContact CB-OD1 3.4Å; E323-N325 PolarHBondContact O-N 2.86Å; E323-N325 VanDerWaalsContact O-N 3.16Å; E323-G326 WeakPolarHBondContact O-CA 3.35Å; E323-G326 PolarHBondContact O-N 2.85Å; E323-S327 PolarHBondContact N-O 2.91Å; E323-S329 VanDerWaalsContact OE1-CB 3.24Å; E323-S329 WeakPolarHBondContact OE1-CB 3.26Å; E323-S329 PolarHBondContact OE1-OG 3.37Å
324	D	92.4	Very high	97.3	Very high	109 Å²	109	25 Å²	25	58%	0.583	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.7	-177.7	-66.9	-7.8	0	0	0	113.7	A32 G326	A32-D324 WeakPolarHBondContact CA-OD2 3.35Å; A32-D324 WeakPolarHBondContact CB-OD2 3.21Å; D324-G326 PolarHBondContact O-N 2.88Å
325	N	91.3	Very high	97.3	Very high	130 Å²	130	25.3 Å²	25.3	70%	0.695	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	5.4	177	68.4	1.7	0	0	0	113.3	E323 S327	E323-N325 WeakPolarHBondContact CB-OD1 3.4Å; E323-N325 PolarHBondContact O-N 2.86Å; E323-N325 VanDerWaalsContact O-N 3.16Å; N325-S327 VanDerWaalsContact C-N 3.29Å; N325-S327 PolarHBondContact ND2-OG 3.1Å; N325-S327 PolarHBondContact O-N 2.88Å; N325-S327 WeakPolarHBondContact OD1-CB 3.32Å; N325-S327 PolarHBondContact OD1-N 2.85Å; N325-S327 PolarHBondContact OD1-OG 3.2Å
326	G	91.9	Very high	97.2	Very high	41 Å²	41	27.6 Å²	27.6	42%	0.423	15%	0.153	S	C	.	.	S	Bend	trans	81.1	-2.1	-177.4	0	0	0	0	0	115	R322 E323 D324	R322-G326 PolarHBondContact NE-O 2.76Å; R322-G326 PolarHBondContact NH1-O 2.99Å; R322-G326 PolarHBondContact NH2-O 3.12Å; E323-G326 WeakPolarHBondContact O-CA 3.35Å; E323-G326 PolarHBondContact O-N 2.85Å; D324-G326 PolarHBondContact O-N 2.88Å
327	S	95.3	Very high	97	Very high	53 Å²	53	30.6 Å²	30.6	37%	0.371	17%	0.169	S	C	.	.			trans	-77	168.5	175.7	73.9	0	0	0	0	112.2	R322 E323 N325	R322-S327 VanDerWaalsContact CZ-O 3.3Å; R322-S327 PolarHBondContact NE-O 3.16Å; R322-S327 PolarHBondContact NH2-O 2.83Å; E323-S327 PolarHBondContact N-O 2.91Å; N325-S327 VanDerWaalsContact C-N 3.29Å; N325-S327 PolarHBondContact ND2-OG 3.1Å; N325-S327 PolarHBondContact O-N 2.88Å; N325-S327 WeakPolarHBondContact OD1-CB 3.32Å; N325-S327 PolarHBondContact OD1-N 2.85Å; N325-S327 PolarHBondContact OD1-OG 3.2Å
328	A	97.7	Very high	96.8	Very high	11 Å²	11	35.3 Å²	35.3	9%	0.091	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	144.9	177.1	0	0	0	0	0	110.7	A275 L320 Y321 L356	A275-A328 HydrophobicContact CB-CB 4.03Å; L320-A328 HydrophobicContact CD1-CB 4.01Å; Y321-A328 VanDerWaalsContact O-CA 3.26Å; Y321-A328 WeakPolarHBondContact O-CA 3.14Å; A328-L356 HydrophobicContact CB-CB 3.7Å; A328-L356 HydrophobicContact CB-CD2 3.75Å; A328-L356 HydrophobicContact CB-CG 4.39Å; A328-L356 PolarHBondContact O-N 2.77Å
329	S	98.4	Very high	96.5	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.028	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	159	168.8	79.3	0	0	0	0	111.5	L320 Y321 E323 V353 C354	L320-S329 WeakPolarHBondContact CA-O 3.42Å; Y321-S329 PolarHBondContact N-O 3.3Å; Y321-S329 PolarHBondContact O-N 2.78Å; Y321-S329 VanDerWaalsContact O-N 3.09Å; E323-S329 VanDerWaalsContact OE1-CB 3.24Å; E323-S329 WeakPolarHBondContact OE1-CB 3.26Å; E323-S329 PolarHBondContact OE1-OG 3.37Å; S329-V353 WeakPolarHBondContact OG-CG1 3.33Å; S329-C354 CarbonylContact C-O 3.54Å; S329-C354 WeakPolarHBondContact CA-O 3.3Å; S329-C354 WeakPolarHBondContact CB-O 3.5Å
330	V	98.8	Very high	96.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.5	177.2	-176.8	0	0	0	0	108.5	L271 I318 E319 L320 M332 C354 L356 F359	L271-V330 HydrophobicContact CD1-CG1 4.31Å; L271-V330 HydrophobicContact CD1-CG2 4.14Å; I318-V330 HydrophobicContact CG2-CG1 3.63Å; E319-V330 CarbonylContact O-C 3.55Å; E319-V330 VanDerWaalsContact O-CA 3.27Å; E319-V330 WeakPolarHBondContact O-CA 3.28Å; L320-V330 HydrophobicContact CD1-CG2 4.09Å; V330-M332 HydrophobicContact CG1-CG 4.4Å; V330-C354 PolarHBondContact N-O 3.1Å; V330-C354 PolarHBondContact O-N 3.02Å; V330-L356 HydrophobicContact CG2-CB 4.47Å; V330-L356 HydrophobicContact CG2-CD1 3.74Å; V330-F359 HydrophobicContact CB-CB 4.49Å; V330-F359 HydrophobicContact CB-CD2 3.97Å; V330-F359 HydrophobicContact CB-CE2 4.43Å; V330-F359 HydrophobicContact CB-CG 4.19Å; V330-F359 HydrophobicContact CG1-CD2 3.9Å; V330-F359 HydrophobicContact CG1-CE2 3.85Å; V330-F359 HydrophobicContact CG1-CG 4.36Å; V330-F359 HydrophobicContact CG1-CZ 4.25Å; V330-F359 HydrophobicContact CG2-CB 4.23Å; V330-F359 HydrophobicContact CG2-CD1 4.44Å; V330-F359 HydrophobicContact CG2-CD2 4.39Å; V330-F359 HydrophobicContact CG2-CG 4.1Å
331	S	98.7	Very high	96.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.5	168.8	-68	0	0	0	0	109.9	R34 E319 H352	R34-S331 PolarHBondContact NH1-OG 3.36Å; R34-S331 PolarHBondContact NH2-OG 2.98Å; E319-S331 PolarHBondContact N-O 2.92Å; E319-S331 PolarHBondContact O-N 3.35Å; S331-H352 WeakPolarHBondContact CA-O 3.47Å; S331-H352 PolarHBondContact OG-O 2.82Å; S331-H352 VanDerWaalsContact OG-O 3.05Å
332	M	98.8	Very high	96.1	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.025	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	145	-177.3	-58.4	-175.7	-66.2	0	0	111	L302 I317 I318 V330 V345 L347 H352 F359	L302-M332 HydrophobicContact CD1-SD 3.87Å; L302-M332 HydrophobicContact CD2-SD 4.08Å; I317-M332 CarbonylContact O-C 3.58Å; I317-M332 VanDerWaalsContact O-CA 3.23Å; I317-M332 WeakPolarHBondContact O-CA 3.22Å; I318-M332 HydrophobicContact CG1-CG 4.08Å; I318-M332 HydrophobicContact CG1-SD 4.43Å; I318-M332 HydrophobicContact CG2-CG 4.25Å; V330-M332 HydrophobicContact CG1-CG 4.4Å; M332-V345 HydrophobicContact CB-CB 3.96Å; M332-V345 HydrophobicContact CB-CG1 4.46Å; M332-V345 HydrophobicContact CE-CG1 4.17Å; M332-V345 PolarHBondContact O-N 3.04Å; M332-L347 HydrophobicContact CE-CB 3.82Å; M332-L347 HydrophobicContact CE-CD1 4.34Å; M332-H352 PolarHBondContact O-CE1 3.37Å; M332-H352 VanDerWaalsContact O-CE1 3.22Å; M332-F359 HydrophobicContact CE-CE2 4.13Å; M332-F359 HydrophobicContact CG-CE2 4.41Å; M332-F359 HydrophobicContact SD-CE2 3.71Å; M332-F359 HydrophobicContact SD-CZ 4.09Å
333	F	98.8	Very high	96.2	Very high	27 Å²	27	50.9 Å²	50.9	12%	0.118	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154.7	177.7	-53.5	-96	0	0	0	110.6	H316 I317 E319 P342 Y343 P344 H352	H316-F333 PolarHBondContact ND1-O 2.84Å; I317-F333 HydrophobicContact CB-CB 4.21Å; I317-F333 HydrophobicContact CG2-CD2 4.44Å; I317-F333 PolarHBondContact N-O 3.42Å; I317-F333 PolarHBondContact O-N 3.37Å; E319-F333 WeakPolarHBondContact OE2-CE2 3.39Å; F333-P342 HydrophobicContact CB-CB 3.78Å; F333-Y343 CarbonylContact C-O 3.49Å; F333-Y343 VanDerWaalsContact CA-O 3.26Å; F333-Y343 WeakPolarHBondContact CA-O 3.39Å; F333-P344 HydrophobicContact CD1-CB 4.37Å; F333-P344 HydrophobicContact CE1-CB 4.36Å; F333-H352 AromaticContact CE1-CE1 3.7Å; F333-H352 AromaticContact CE1-NE2 3.52Å; F333-H352 AromaticContact CZ-CE1 3.72Å; F333-H352 AromaticContact CZ-NE2 3.38Å; F333-H352 WeakPolarHBondContact CZ-NE2 3.47Å
334	Y	98.8	Very high	96.3	Very high	12 Å²	12	53.5 Å²	53.5	5%	0.047	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	110.6	173.2	-173.3	-138	0	0	0	110.3	V295 Q299 A310 P311 S314 C315 H316 N336 Y343	V295-Y334 HydrophobicContact CG1-CE2 3.89Å; Q299-Y334 VanDerWaalsContact NE2-CD2 3.33Å; A310-Y334 VanDerWaalsContact CA-OH 3.3Å; A310-Y334 WeakPolarHBondContact CA-OH 3.23Å; A310-Y334 WeakPolarHBondContact CB-OH 3.31Å; P311-Y334 WeakPolarHBondContact CD-OH 3.42Å; S314-Y334 WeakPolarHBondContact CB-OH 3.02Å; S314-Y334 PolarHBondContact OG-OH 3.27Å; C315-Y334 WeakPolarHBondContact O-CD2 3.39Å; H316-Y334 HydrophobicContact CB-CD2 4.21Å; Y334-N336 HydrophobicContact CD1-CB 3.93Å; Y334-N336 HydrophobicContact CE1-CB 3.46Å; Y334-N336 VanDerWaalsContact CE1-CB 3.46Å; Y334-N336 HydrophobicContact CE2-CB 4.22Å; Y334-N336 HydrophobicContact CG-CB 4.49Å; Y334-Y343 PolarHBondContact N-O 3.01Å; Y334-Y343 WeakPolarHBondContact O-CD2 3.31Å; Y334-Y343 PolarHBondContact O-N 3.26Å
335	R	98.6	Very high	96.6	Very high	9 Å²	9	49.3 Å²	49.3	3%	0.034	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	101.1	173	-169.5	-179.4	-174.2	-109.1	2.9	108.6	E81 S314 C315 P342	E81-R335 IonicContact OE1-CZ 2.91Å; E81-R335 IonicContact OE1-NH1 2.95Å; E81-R335 IonicContact OE1-NH2 3.59Å; E81-R335 PolarHBondContact OE1-NH2 3.11Å; E81-R335 IonicContact OE2-CZ 2.86Å; E81-R335 IonicContact OE2-NH1 2.72Å; E81-R335 PolarHBondContact OE2-NH1 2.76Å; E81-R335 IonicContact OE2-NH2 3.45Å; E81-R335 PolarHBondContact OE2-NH2 2.95Å; S314-R335 CarbonylContact C-O 3.4Å; S314-R335 WeakPolarHBondContact CA-O 3.29Å; S314-R335 WeakPolarHBondContact CB-O 3.34Å; C315-R335 HydrophobicContact CB-CB 4.38Å; C315-R335 PolarHBondContact N-O 2.91Å; C315-R335 PolarHBondContact O-N 3.25Å; R335-P342 HydrophobicContact CB-CB 4.02Å; R335-P342 HydrophobicContact CB-CG 3.97Å; R335-P342 HydrophobicContact CG-CG 4.22Å
336	N	97.7	Very high	96.9	Very high	49 Å²	49	48.8 Å²	48.8	26%	0.262	28%	0.277	S	S	.	.			trans	-123.4	8.5	177.7	67.5	-26.1	0	0	0	113.3	P311 Y334 Y343	P311-N336 HydrophobicContact CG-CB 4.21Å; Y334-N336 HydrophobicContact CD1-CB 3.93Å; Y334-N336 HydrophobicContact CE1-CB 3.46Å; Y334-N336 VanDerWaalsContact CE1-CB 3.46Å; Y334-N336 HydrophobicContact CE2-CB 4.22Å; Y334-N336 HydrophobicContact CG-CB 4.49Å; N336-Y343 WeakPolarHBondContact OD1-CD2 3.35Å; N336-Y343 WeakPolarHBondContact OD1-CE2 3.32Å
337	D	94.6	Very high	97.2	Very high	64 Å²	64	47.1 Å²	47.1	34%	0.342	26%	0.258	S	S	.	.			trans	-145.2	132.2	176	-173.3	-25.1	0	0	0	107.1	S339 V340 Y343	D337-S339 VanDerWaalsContact C-N 3.34Å; D337-S339 VanDerWaalsContact CG-OG 3.27Å; D337-S339 WeakPolarHBondContact OD1-CB 3.21Å; D337-S339 PolarHBondContact OD1-N 3.09Å; D337-S339 PolarHBondContact OD1-OG 3.41Å; D337-S339 PolarHBondContact OD2-OG 3.43Å; D337-V340 HydrophobicContact CB-CG2 3.86Å; D337-Y343 HydrophobicContact CB-CE2 4.4Å
338	T	93.9	Very high	97.3	Very high	98 Å²	98	47.4 Å²	47.4	60%	0.601	26%	0.259	S	S	*	.	S	Bend	trans	-84.3	-12	-178.4	58.9	0	0	0	0	112.9
339	S	93.8	Very high	97.3	Very high	95 Å²	95	50.7 Å²	50.7	66%	0.664	29%	0.294	S	S	*	.	S	Bend	trans	-87.6	-9.6	-176.7	69	0	0	0	0	114.3	D337	D337-S339 VanDerWaalsContact C-N 3.34Å; D337-S339 VanDerWaalsContact CG-OG 3.27Å; D337-S339 WeakPolarHBondContact OD1-CB 3.21Å; D337-S339 PolarHBondContact OD1-N 3.09Å; D337-S339 PolarHBondContact OD1-OG 3.41Å; D337-S339 PolarHBondContact OD2-OG 3.43Å
340	V	94.7	Very high	97.2	Very high	60 Å²	60	51 Å²	51	36%	0.364	30%	0.296	S	S	.	.	S	Bend	trans	-133.9	162.1	-177.7	-62.5	0	0	0	0	111.1	D337 Y343	D337-V340 HydrophobicContact CB-CG2 3.86Å; V340-Y343 HydrophobicContact CG2-CE2 3.88Å
341	E	94.8	Very high	97.1	Very high	142 Å²	142	53.7 Å²	53.7	66%	0.664	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-60.8	150.1	169.3	-72.1	-59.8	144.1	0	0	111	Y343	E341-Y343 PolarHBondContact O-N 3.32Å
342	P	97.6	Very high	97	Very high	10 Å²	10	56.1 Å²	56.1	7%	0.065	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-56.1	136.2	177.9	-23.2	32.1	0	0	0	112.2	Y85 I317 F333 R335	Y85-P342 HydrophobicContact CE1-CG 4.21Å; Y85-P342 HydrophobicContact CE2-CG 4.39Å; Y85-P342 VanDerWaalsContact OH-CD 3.31Å; Y85-P342 WeakPolarHBondContact OH-CD 3.45Å; Y85-P342 WeakPolarHBondContact OH-CG 3.4Å; I317-P342 HydrophobicContact CD1-CG 4.46Å; F333-P342 HydrophobicContact CB-CB 3.78Å; R335-P342 HydrophobicContact CB-CB 4.02Å; R335-P342 HydrophobicContact CB-CG 3.97Å; R335-P342 HydrophobicContact CG-CG 4.22Å
343	Y	98.3	Very high	97	Very high	113 Å²	113	58.9 Å²	58.9	44%	0.443	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	127.9	178.9	-63	-89.2	0	0	0	109.7	F333 Y334 N336 D337 V340 E341 V345	F333-Y343 CarbonylContact C-O 3.49Å; F333-Y343 VanDerWaalsContact CA-O 3.26Å; F333-Y343 WeakPolarHBondContact CA-O 3.39Å; Y334-Y343 PolarHBondContact N-O 3.01Å; Y334-Y343 WeakPolarHBondContact O-CD2 3.31Å; Y334-Y343 PolarHBondContact O-N 3.26Å; N336-Y343 WeakPolarHBondContact OD1-CD2 3.35Å; N336-Y343 WeakPolarHBondContact OD1-CE2 3.32Å; D337-Y343 HydrophobicContact CB-CE2 4.4Å; V340-Y343 HydrophobicContact CG2-CE2 3.88Å; E341-Y343 PolarHBondContact O-N 3.32Å; Y343-V345 PolarHBondContact O-N 3.32Å
344	P	98.1	Very high	97	Very high	90 Å²	90	57.7 Å²	57.7	58%	0.584	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	131.3	172.4	26.1	-31.9	0	0	0	109.3	F333 H352	F333-P344 HydrophobicContact CD1-CB 4.37Å; F333-P344 HydrophobicContact CE1-CB 4.36Å; P344-H352 VanDerWaalsContact CB-CE1 3.46Å; P344-H352 WeakPolarHBondContact CB-CE1 3.37Å
345	V	98.3	Very high	96.9	Very high	21 Å²	21	60 Å²	60	13%	0.127	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.2	178.3	-178.6	0	0	0	0	108	V304 M332 Y343 H352	V304-V345 HydrophobicContact CB-CG1 3.59Å; V304-V345 HydrophobicContact CG1-CG1 3.71Å; V304-V345 HydrophobicContact CG2-CG1 3.66Å; M332-V345 HydrophobicContact CB-CB 3.96Å; M332-V345 HydrophobicContact CB-CG1 4.46Å; M332-V345 HydrophobicContact CE-CG1 4.17Å; M332-V345 PolarHBondContact O-N 3.04Å; Y343-V345 PolarHBondContact O-N 3.32Å; V345-H352 PolarHBondContact O-ND1 3.24Å
346	Q	97.9	Very high	96.9	Very high	118 Å²	118	60.3 Å²	60.3	55%	0.551	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-101.1	126.1	178.9	-176.1	175.8	-6.6	0	0	109.5	V304 C350	V304-Q346 WeakPolarHBondContact CG1-O 3.45Å; Q346-C350 VanDerWaalsContact CG-O 3.28Å; Q346-C350 WeakPolarHBondContact CG-O 3.29Å; Q346-C350 PolarHBondContact NE2-O 2.93Å
347	L	98.1	Very high	97	Very high	6 Å²	6	66 Å²	66	3%	0.031	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-68.1	126.3	171.6	-173.3	68.5	0	0	0	108.9	L302 M332 G349 C350 F359 I362 T363	L302-L347 HydrophobicContact CB-CD1 4.43Å; L302-L347 HydrophobicContact CD2-CD1 4.01Å; L302-L347 VanDerWaalsContact O-CD1 3.3Å; L302-L347 WeakPolarHBondContact O-CD1 3.33Å; M332-L347 HydrophobicContact CE-CB 3.82Å; M332-L347 HydrophobicContact CE-CD1 4.34Å; L347-G349 PolarHBondContact O-N 3.39Å; L347-C350 HydrophobicContact CB-CB 4.2Å; L347-C350 PolarHBondContact O-N 3.47Å; L347-F359 HydrophobicContact CD2-CD2 3.69Å; L347-F359 HydrophobicContact CD2-CE2 4.04Å; L347-F359 HydrophobicContact CD2-CG 4.35Å; L347-I362 HydrophobicContact CD1-CG2 4.43Å; L347-I362 HydrophobicContact CD2-CB 3.9Å; L347-I362 HydrophobicContact CD2-CD1 4.21Å; L347-I362 HydrophobicContact CD2-CG2 3.64Å; L347-I362 HydrophobicContact CG-CG2 3.92Å; L347-T363 HydrophobicContact CD1-CG2 4.32Å; L347-T363 HydrophobicContact CD2-CG2 4.16Å
348	P	97.8	Very high	97.1	Very high	59 Å²	59	65.3 Å²	65.3	38%	0.383	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	131	178	-26.4	35.6	0	0	0	111.5	N303	N303-P348 HydrophobicContact CB-CG 4.27Å; N303-P348 WeakPolarHBondContact O-CG 3Å
349	G	96.4	Very high	97.4	Very high	80 Å²	80	60.7 Å²	60.7	83%	0.825	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	6.6	-175.6	0	0	0	0	0	115.1	L347	L347-G349 PolarHBondContact O-N 3.39Å
350	C	97.8	Very high	97.6	Very high	12 Å²	12	58.4 Å²	58.4	8%	0.081	34%	0.335	C	S	.	.	S	Bend	trans	-133	161.4	173.7	-146.8	0	0	0	0	111.5	Q346 L347 C354 I362	Q346-C350 VanDerWaalsContact CG-O 3.28Å; Q346-C350 WeakPolarHBondContact CG-O 3.29Å; Q346-C350 PolarHBondContact NE2-O 2.93Å; L347-C350 HydrophobicContact CB-CB 4.2Å; L347-C350 PolarHBondContact O-N 3.47Å; C350-C354 HydrophobicContact CB-CB 3.88Å; C350-C354 WeakPolarHBondContact CB-SG 3.46Å; C350-C354 WeakPolarHBondContact SG-CA 3.23Å; C350-C354 WeakPolarHBondContact SG-CB 3.39Å; C350-C354 CovalentContact SG-SG 2.03Å; C350-C354 PolarHBondContact SG-SG 3.27Å; C350-I362 HydrophobicContact CB-CD1 3.77Å
351	A	96.4	Very high	97.8	Very high	57 Å²	57	63.5 Å²	63.5	47%	0.471	35%	0.348	S	S	.	.			trans	-73	165.3	167.2	0	0	0	0	0	110.8	V353 C354	A351-V353 PolarHBondContact O-N 3.06Å; A351-C354 WeakPolarHBondContact O-CB 3.28Å; A351-C354 PolarHBondContact O-N 3.43Å
352	H	96.8	Very high	98	Very high	51 Å²	51	58.6 Å²	58.6	24%	0.236	33%	0.326	C	S	.	.	S	Bend	trans	-62.1	-33.8	174.9	176.6	65.4	0	0	0	112.5	S331 M332 F333 P344 V345 C354	S331-H352 WeakPolarHBondContact CA-O 3.47Å; S331-H352 PolarHBondContact OG-O 2.82Å; S331-H352 VanDerWaalsContact OG-O 3.05Å; M332-H352 PolarHBondContact O-CE1 3.37Å; M332-H352 VanDerWaalsContact O-CE1 3.22Å; F333-H352 AromaticContact CE1-CE1 3.7Å; F333-H352 AromaticContact CE1-NE2 3.52Å; F333-H352 AromaticContact CZ-CE1 3.72Å; F333-H352 AromaticContact CZ-NE2 3.38Å; F333-H352 WeakPolarHBondContact CZ-NE2 3.47Å; P344-H352 VanDerWaalsContact CB-CE1 3.46Å; P344-H352 WeakPolarHBondContact CB-CE1 3.37Å; V345-H352 PolarHBondContact O-ND1 3.24Å; H352-C354 PolarHBondContact O-N 2.8Å
353	V	97.6	Very high	98	Very high	63 Å²	63	58.2 Å²	58.2	38%	0.382	32%	0.323	S	S	.	.	S	Bend	trans	-89.3	88.4	163	-174.7	0	0	0	0	106.8	S329 A351	S329-V353 WeakPolarHBondContact OG-CG1 3.33Å; A351-V353 PolarHBondContact O-N 3.06Å
354	C	98.4	Very high	98.1	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.02	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.8	-172.4	-173.8	0	0	0	0	110.3	S329 V330 C350 A351 H352 L356	S329-C354 CarbonylContact C-O 3.54Å; S329-C354 WeakPolarHBondContact CA-O 3.3Å; S329-C354 WeakPolarHBondContact CB-O 3.5Å; V330-C354 PolarHBondContact N-O 3.1Å; V330-C354 PolarHBondContact O-N 3.02Å; C350-C354 HydrophobicContact CB-CB 3.88Å; C350-C354 WeakPolarHBondContact CB-SG 3.46Å; C350-C354 WeakPolarHBondContact SG-CA 3.23Å; C350-C354 WeakPolarHBondContact SG-CB 3.39Å; C350-C354 CovalentContact SG-SG 2.03Å; C350-C354 PolarHBondContact SG-SG 3.27Å; A351-C354 WeakPolarHBondContact O-CB 3.28Å; A351-C354 PolarHBondContact O-N 3.43Å; H352-C354 PolarHBondContact O-N 2.8Å; C354-L356 PolarHBondContact O-N 2.93Å
355	P	98.3	Very high	98.1	Very high	59 Å²	59	55.6 Å²	55.6	38%	0.383	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	136.2	173.2	-26.1	35.5	0	0	0	110.8	E357 D358 F359	P355-E357 PolarHBondContact O-N 3.39Å; P355-D358 HydrophobicContact CB-CB 4.26Å; P355-D358 WeakPolarHBondContact O-CB 3.41Å; P355-D358 PolarHBondContact O-N 3.43Å; P355-F359 PolarHBondContact O-N 3.31Å
356	L	98.6	Very high	98.1	Very high	17 Å²	17	56.3 Å²	56.3	9%	0.089	31%	0.312	C	S	.	.	H	α-helix	trans	-58.5	-38	-174.9	174.6	64.2	0	0	0	112.2	L271 A275 L320 A328 V330 C354 D358 F359 V360	L271-L356 HydrophobicContact CB-CD1 3.94Å; A275-L356 HydrophobicContact CB-CD2 3.33Å; L320-L356 HydrophobicContact CD1-CD1 4.26Å; L320-L356 HydrophobicContact CD1-CD2 4.16Å; A328-L356 HydrophobicContact CB-CB 3.7Å; A328-L356 HydrophobicContact CB-CD2 3.75Å; A328-L356 HydrophobicContact CB-CG 4.39Å; A328-L356 PolarHBondContact O-N 2.77Å; V330-L356 HydrophobicContact CG2-CB 4.47Å; V330-L356 HydrophobicContact CG2-CD1 3.74Å; C354-L356 PolarHBondContact O-N 2.93Å; L356-D358 VanDerWaalsContact C-N 3.32Å; L356-D358 PolarHBondContact O-N 2.78Å; L356-F359 WeakPolarHBondContact O-CB 3.09Å; L356-F359 PolarHBondContact O-N 2.98Å; L356-V360 HydrophobicContact CD1-CG2 4.14Å; L356-V360 HydrophobicContact CG-CG2 4.37Å; L356-V360 WeakPolarHBondContact O-CG2 3.44Å; L356-V360 PolarHBondContact O-N 2.7Å
357	E	98.2	Very high	98.1	Very high	168 Å²	168	51.6 Å²	51.6	79%	0.785	29%	0.29	S	S	*	.	H	α-helix	trans	-61.7	-40.9	176.5	-64.7	-178.5	-179.1	0	0	111.9	P355 R361	P355-E357 PolarHBondContact O-N 3.39Å; E357-R361 VanDerWaalsContact O-CB 3.3Å; E357-R361 WeakPolarHBondContact O-CB 3.39Å; E357-R361 PolarHBondContact O-N 3.04Å
358	D	98.6	Very high	98.1	Very high	50 Å²	50	52.1 Å²	52.1	27%	0.267	29%	0.294	S	S	.	.	H	α-helix	trans	-67.8	-42.9	174.7	-73.5	-33.6	0	0	0	111.5	P355 L356 V360 R361 I362	P355-D358 HydrophobicContact CB-CB 4.26Å; P355-D358 WeakPolarHBondContact O-CB 3.41Å; P355-D358 PolarHBondContact O-N 3.43Å; L356-D358 VanDerWaalsContact C-N 3.32Å; L356-D358 PolarHBondContact O-N 2.78Å; D358-V360 VanDerWaalsContact C-N 3.34Å; D358-V360 PolarHBondContact O-N 2.91Å; D358-R361 PolarHBondContact O-N 2.87Å; D358-R361 IonicContact OD1-CZ 3.25Å; D358-R361 IonicContact OD1-NE 3.72Å; D358-R361 IonicContact OD1-NH2 3.93Å; D358-R361 PolarHBondContact OD1-NH2 2.82Å; D358-I362 HydrophobicContact CB-CD1 4.31Å; D358-I362 WeakPolarHBondContact O-CB 3.35Å; D358-I362 WeakPolarHBondContact O-CD1 3.26Å; D358-I362 WeakPolarHBondContact O-CG1 3.43Å; D358-I362 PolarHBondContact O-N 2.92Å
359	F	98.8	Very high	97.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57	-48.4	176	-170.2	-87.7	0	0	0	111.3	V268 L271 L302 V330 M332 L347 P355 L356 T363	V268-F359 HydrophobicContact CG2-CD1 4.15Å; V268-F359 HydrophobicContact CG2-CE1 3.77Å; L271-F359 HydrophobicContact CD1-CD1 4.23Å; L271-F359 HydrophobicContact CD1-CE1 3.86Å; L271-F359 HydrophobicContact CD1-CZ 4.49Å; L302-F359 HydrophobicContact CD2-CE2 4.31Å; L302-F359 HydrophobicContact CD2-CZ 3.86Å; V330-F359 HydrophobicContact CB-CB 4.49Å; V330-F359 HydrophobicContact CB-CD2 3.97Å; V330-F359 HydrophobicContact CB-CE2 4.43Å; V330-F359 HydrophobicContact CB-CG 4.19Å; V330-F359 HydrophobicContact CG1-CD2 3.9Å; V330-F359 HydrophobicContact CG1-CE2 3.85Å; V330-F359 HydrophobicContact CG1-CG 4.36Å; V330-F359 HydrophobicContact CG1-CZ 4.25Å; V330-F359 HydrophobicContact CG2-CB 4.23Å; V330-F359 HydrophobicContact CG2-CD1 4.44Å; V330-F359 HydrophobicContact CG2-CD2 4.39Å; V330-F359 HydrophobicContact CG2-CG 4.1Å; M332-F359 HydrophobicContact CE-CE2 4.13Å; M332-F359 HydrophobicContact CG-CE2 4.41Å; M332-F359 HydrophobicContact SD-CE2 3.71Å; M332-F359 HydrophobicContact SD-CZ 4.09Å; L347-F359 HydrophobicContact CD2-CD2 3.69Å; L347-F359 HydrophobicContact CD2-CE2 4.04Å; L347-F359 HydrophobicContact CD2-CG 4.35Å; P355-F359 PolarHBondContact O-N 3.31Å; L356-F359 WeakPolarHBondContact O-CB 3.09Å; L356-F359 PolarHBondContact O-N 2.98Å; F359-T363 HydrophobicContact CD1-CG2 4.27Å; F359-T363 HydrophobicContact CE1-CG2 4.02Å; F359-T363 HydrophobicContact CZ-CG2 4.18Å; F359-T363 WeakPolarHBondContact O-CB 3.25Å; F359-T363 VanDerWaalsContact O-CG2 3.28Å; F359-T363 WeakPolarHBondContact O-CG2 3.39Å; F359-T363 PolarHBondContact O-N 3.27Å; F359-T363 PolarHBondContact O-OG1 3.41Å
360	V	98.7	Very high	97.9	Very high	47 Å²	47	54.8 Å²	54.8	29%	0.285	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-48.2	176.5	172.8	0	0	0	0	110.5	V268 L356 D358 T363 K364	V268-V360 HydrophobicContact CG1-CB 4.41Å; V268-V360 HydrophobicContact CG1-CG1 4.32Å; V268-V360 HydrophobicContact CG1-CG2 3.87Å; L356-V360 HydrophobicContact CD1-CG2 4.14Å; L356-V360 HydrophobicContact CG-CG2 4.37Å; L356-V360 WeakPolarHBondContact O-CG2 3.44Å; L356-V360 PolarHBondContact O-N 2.7Å; D358-V360 VanDerWaalsContact C-N 3.34Å; D358-V360 PolarHBondContact O-N 2.91Å; V360-T363 PolarHBondContact O-OG1 3.26Å; V360-K364 WeakPolarHBondContact O-CB 3.43Å; V360-K364 PolarHBondContact O-N 3.01Å
361	R	98.7	Very high	97.8	Very high	168 Å²	168	55.9 Å²	55.9	63%	0.634	29%	0.289	S	S	*	.	H	α-helix	trans	-63.2	-46	-178.4	179.3	177.9	61.3	144.8	-1.8	112.6	E357 D358	E357-R361 VanDerWaalsContact O-CB 3.3Å; E357-R361 WeakPolarHBondContact O-CB 3.39Å; E357-R361 PolarHBondContact O-N 3.04Å; D358-R361 PolarHBondContact O-N 2.87Å; D358-R361 IonicContact OD1-CZ 3.25Å; D358-R361 IonicContact OD1-NE 3.72Å; D358-R361 IonicContact OD1-NH2 3.93Å; D358-R361 PolarHBondContact OD1-NH2 2.82Å
362	I	98.7	Very high	97.8	Very high	38 Å²	38	58.4 Å²	58.4	20%	0.195	29%	0.294	C	S	.	.	H	α-helix	trans	-69	-37.2	-177	-67.7	164.8	0	0	0	110.9	L347 C350 D358 P365	L347-I362 HydrophobicContact CD1-CG2 4.43Å; L347-I362 HydrophobicContact CD2-CB 3.9Å; L347-I362 HydrophobicContact CD2-CD1 4.21Å; L347-I362 HydrophobicContact CD2-CG2 3.64Å; L347-I362 HydrophobicContact CG-CG2 3.92Å; C350-I362 HydrophobicContact CB-CD1 3.77Å; D358-I362 HydrophobicContact CB-CD1 4.31Å; D358-I362 WeakPolarHBondContact O-CB 3.35Å; D358-I362 WeakPolarHBondContact O-CD1 3.26Å; D358-I362 WeakPolarHBondContact O-CG1 3.43Å; D358-I362 PolarHBondContact O-N 2.92Å; I362-P365 VanDerWaalsContact O-CD 3.31Å; I362-P365 WeakPolarHBondContact O-CD 3.41Å
363	T	98.6	Very high	97.8	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-81.8	-22	-178.5	55.7	0	0	0	0	113.5	L264 L302 L347 F359 V360 P365 F366	L264-T363 HydrophobicContact CD1-CG2 4.22Å; L264-T363 HydrophobicContact CD2-CG2 4.15Å; L302-T363 HydrophobicContact CD2-CG2 3.97Å; L347-T363 HydrophobicContact CD1-CG2 4.32Å; L347-T363 HydrophobicContact CD2-CG2 4.16Å; F359-T363 HydrophobicContact CD1-CG2 4.27Å; F359-T363 HydrophobicContact CE1-CG2 4.02Å; F359-T363 HydrophobicContact CZ-CG2 4.18Å; F359-T363 WeakPolarHBondContact O-CB 3.25Å; F359-T363 VanDerWaalsContact O-CG2 3.28Å; F359-T363 WeakPolarHBondContact O-CG2 3.39Å; F359-T363 PolarHBondContact O-N 3.27Å; F359-T363 PolarHBondContact O-OG1 3.41Å; V360-T363 PolarHBondContact O-OG1 3.26Å; T363-P365 VanDerWaalsContact C-CD 3.4Å; T363-F366 PolarHBondContact O-N 3.42Å
364	K	98.4	Very high	97.7	Very high	98 Å²	98	62.1 Å²	62.1	43%	0.426	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-49.2	-43.3	-176.8	-176.9	60.1	-178.2	166.1	0	115	V360 F366 I367 D369	V360-K364 WeakPolarHBondContact O-CB 3.43Å; V360-K364 PolarHBondContact O-N 3.01Å; K364-F366 PolarHBondContact O-N 3.31Å; K364-F366 VanDerWaalsContact O-N 3.16Å; K364-I367 PolarHBondContact O-N 3.32Å; K364-I367 VanDerWaalsContact O-N 3.16Å; K364-D369 IonicContact NZ-OD1 3.61Å; K364-D369 PolarHBondContact NZ-OD1 2.72Å
365	P	98.4	Very high	97.6	Very high	51 Å²	51	62.3 Å²	62.3	33%	0.331	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-63.5	-21	-179.2	-22.3	34.8	0	0	0	114.4	Q253 R257 I362 T363	Q253-P365 VanDerWaalsContact NE2-CB 3.28Å; Q253-P365 PolarHBondContact NE2-O 2.89Å; R257-P365 WeakPolarHBondContact CD-O 3.3Å; R257-P365 WeakPolarHBondContact CG-O 3.46Å; R257-P365 PolarHBondContact NH1-O 3.49Å; R257-P365 VanDerWaalsContact NH1-O 3.07Å; I362-P365 VanDerWaalsContact O-CD 3.31Å; I362-P365 WeakPolarHBondContact O-CD 3.41Å; T363-P365 VanDerWaalsContact C-CD 3.4Å
366	F	98.4	Very high	97.5	Very high	36 Å²	36	66.2 Å²	66.2	16%	0.158	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-94.5	-4.2	-179.3	-59	-89.6	0	0	0	113.3	Q253 S256 R257 G261 L264 S301 T363 K364	Q253-F366 HydrophobicContact CB-CD1 4.12Å; Q253-F366 HydrophobicContact CB-CE1 3.86Å; Q253-F366 HydrophobicContact CG-CD1 3.86Å; Q253-F366 HydrophobicContact CG-CE1 3.88Å; Q253-F366 HydrophobicContact CG-CG 4.41Å; Q253-F366 HydrophobicContact CG-CZ 4.44Å; S256-F366 CarbonylContact C-O 3.51Å; R257-F366 WeakPolarHBondContact CA-O 3.28Å; R257-F366 PolarHBondContact N-O 2.92Å; G261-F366 VanDerWaalsContact CA-O 3.24Å; G261-F366 WeakPolarHBondContact CA-O 3.34Å; L264-F366 HydrophobicContact CD2-CB 4.34Å; S301-F366 WeakPolarHBondContact O-CB 3.14Å; S301-F366 VanDerWaalsContact O-CG 3.27Å; S301-F366 WeakPolarHBondContact O-CG 3.48Å; T363-F366 PolarHBondContact O-N 3.42Å; K364-F366 PolarHBondContact O-N 3.31Å; K364-F366 VanDerWaalsContact O-N 3.16Å
367	I	98.6	Very high	97	Very high	18 Å²	18	67.6 Å²	67.6	9%	0.092	33%	0.329	C	S	.	.	S	Bend	trans	-104.7	123.9	-178.8	-61.3	162.3	0	0	0	108.5	R257 L264 V268 K364	R257-I367 PolarHBondContact NH1-O 3.48Å; L264-I367 HydrophobicContact CB-CG1 4.33Å; L264-I367 HydrophobicContact CD2-CG1 4.18Å; L264-I367 HydrophobicContact CG-CD1 4.12Å; L264-I367 HydrophobicContact CG-CG1 3.99Å; V268-I367 HydrophobicContact CB-CD1 4.25Å; V268-I367 HydrophobicContact CG2-CD1 3.97Å; K364-I367 PolarHBondContact O-N 3.32Å; K364-I367 VanDerWaalsContact O-N 3.16Å
368	S	97.1	Very high	96	Very high	17 Å²	17	65.2 Å²	65.2	12%	0.119	33%	0.328	C	S	.	.			trans	-69.7	140.3	175.9	175.7	0	0	0	0	111.4	R257 D370 R371 E374	R257-S368 WeakPolarHBondContact O-CB 3.45Å; S368-D370 VanDerWaalsContact OG-C 3.26Å; S368-D370 PolarHBondContact OG-N 3.46Å; S368-R371 VanDerWaalsContact OG-CA 3.25Å; S368-R371 WeakPolarHBondContact OG-CA 3.43Å; S368-R371 PolarHBondContact OG-N 2.89Å; S368-E374 WeakPolarHBondContact CA-OE1 3.47Å; S368-E374 WeakPolarHBondContact CB-OE1 3.31Å; S368-E374 VanDerWaalsContact OG-CD 3.24Å; S368-E374 PolarHBondContact OG-OE1 3.41Å
369	D	95	Very high	94.2	Very high	115 Å²	115	66.2 Å²	66.2	62%	0.615	34%	0.339	S	S	*	.	S	Bend	trans	-86	-37.5	172.7	-62.5	-68.4	0	0	0	111.3	R257 K364 E374	R257-D369 IonicContact NH2-OD2 2.98Å; R257-D369 PolarHBondContact NH2-OD2 2.97Å; K364-D369 IonicContact NZ-OD1 3.61Å; K364-D369 PolarHBondContact NZ-OD1 2.72Å; D369-E374 PolarHBondContact N-OE1 2.97Å
370	D	96.3	Very high	92.2	Very high	80 Å²	80	75.6 Å²	75.6	43%	0.428	38%	0.38	S	S	.	.			trans	-149.7	94.5	178.4	-178.7	-16.8	0	0	0	108.4	S368 D372 K373 E374	S368-D370 VanDerWaalsContact OG-C 3.26Å; S368-D370 PolarHBondContact OG-N 3.46Å; D370-D372 VanDerWaalsContact C-N 3.29Å; D370-D372 PolarHBondContact O-N 2.84Å; D370-D372 PolarHBondContact OD1-N 2.86Å; D370-K373 HydrophobicContact CB-CB 4.05Å; D370-K373 VanDerWaalsContact CG-CB 3.43Å; D370-K373 PolarHBondContact O-N 3.41Å; D370-K373 PolarHBondContact OD1-N 2.76Å; D370-K373 WeakPolarHBondContact OD2-CB 3.44Å; D370-E374 WeakPolarHBondContact O-CG 3.46Å; D370-E374 PolarHBondContact O-N 3.47Å
371	R	95.9	Very high	90.2	Very high	35 Å²	35	75.6 Å²	75.6	13%	0.132	39%	0.389	C	S	.	.	H	α-helix	trans	-63.8	-39.5	-175.2	-172.2	179.9	98.4	-102.3	-1.9	111.3	D161 L258 L262 S368 K373 E374 C375	D161-R371 IonicContact OD1-NH2 3.04Å; D161-R371 IonicContact OD2-NH2 2.69Å; D161-R371 PolarHBondContact OD2-NH2 2.86Å; L258-R371 HydrophobicContact CD2-CG 4.36Å; L262-R371 HydrophobicContact CD2-CB 4.17Å; L262-R371 HydrophobicContact CD2-CG 4.44Å; S368-R371 VanDerWaalsContact OG-CA 3.25Å; S368-R371 WeakPolarHBondContact OG-CA 3.43Å; S368-R371 PolarHBondContact OG-N 2.89Å; R371-K373 VanDerWaalsContact C-N 3.28Å; R371-K373 PolarHBondContact O-N 2.61Å; R371-E374 CarbonylContact O-C 3.5Å; R371-E374 PolarHBondContact O-N 2.91Å; R371-C375 WeakPolarHBondContact O-CB 3.17Å; R371-C375 PolarHBondContact O-N 3.04Å; R371-C375 PolarHBondContact O-SG 3.31Å
372	D	95.3	Very high	88.1	Confident	110 Å²	110	77 Å²	77	59%	0.588	40%	0.395	S	S	*	.	H	α-helix	trans	-63.9	-40.7	-175.8	-66.1	-18.5	0	0	0	110	D370 Q376	D370-D372 VanDerWaalsContact C-N 3.29Å; D370-D372 PolarHBondContact O-N 2.84Å; D370-D372 PolarHBondContact OD1-N 2.86Å; D372-Q376 WeakPolarHBondContact O-CG 3.33Å
373	K	96.6	Very high	86.2	Confident	140 Å²	140	79.5 Å²	79.5	61%	0.609	41%	0.408	S	S	*	.	H	α-helix	trans	-66.8	-44.8	172.2	-174.3	179.6	178.9	-178.6	0	112.7	D370 R371 C375 Q376	D370-K373 HydrophobicContact CB-CB 4.05Å; D370-K373 VanDerWaalsContact CG-CB 3.43Å; D370-K373 PolarHBondContact O-N 3.41Å; D370-K373 PolarHBondContact OD1-N 2.76Å; D370-K373 WeakPolarHBondContact OD2-CB 3.44Å; R371-K373 VanDerWaalsContact C-N 3.28Å; R371-K373 PolarHBondContact O-N 2.61Å; K373-C375 PolarHBondContact O-N 2.98Å; K373-Q376 WeakPolarHBondContact O-CB 3.34Å; K373-Q376 PolarHBondContact O-N 2.93Å; K373-Q376 VanDerWaalsContact O-N 3.16Å
374	E	96.6	Very high	84.7	Confident	52 Å²	52	88.5 Å²	88.5	24%	0.243	44%	0.442	C	S	.	.	H	α-helix	trans	-66.6	-23.9	179.1	-69.8	178.5	-128.9	0	0	113	R257 L258 S368 D369 D370 R371 Q376	R257-E374 IonicContact CZ-OE1 2.68Å; R257-E374 IonicContact CZ-OE2 3.53Å; R257-E374 IonicContact NE-OE1 2.83Å; R257-E374 IonicContact NE-OE2 3.72Å; R257-E374 PolarHBondContact NE-OE2 2.92Å; R257-E374 IonicContact NH2-OE1 3.49Å; R257-E374 PolarHBondContact NH2-OE1 3.34Å; R257-E374 IonicContact NH2-OE2 3.37Å; R257-E374 PolarHBondContact NH2-OE2 2.95Å; L258-E374 HydrophobicContact CD2-CB 3.73Å; S368-E374 WeakPolarHBondContact CA-OE1 3.47Å; S368-E374 WeakPolarHBondContact CB-OE1 3.31Å; S368-E374 VanDerWaalsContact OG-CD 3.24Å; S368-E374 PolarHBondContact OG-OE1 3.41Å; D369-E374 PolarHBondContact N-OE1 2.97Å; D370-E374 WeakPolarHBondContact O-CG 3.46Å; D370-E374 PolarHBondContact O-N 3.47Å; R371-E374 CarbonylContact O-C 3.5Å; R371-E374 PolarHBondContact O-N 2.91Å; E374-Q376 VanDerWaalsContact C-N 3.33Å
375	C	96.8	Very high	83.4	Confident	7 Å²	7	91.2 Å²	91.2	5%	0.047	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-13.8	174.3	-75.2	0	0	0	0	114.1	C162 R164 R371 K373 V377	C162-C375 HydrophobicContact CB-CB 4.01Å; C162-C375 WeakPolarHBondContact CB-SG 3.44Å; C162-C375 VanDerWaalsContact SG-CA 3.57Å; C162-C375 WeakPolarHBondContact SG-CB 3.26Å; C162-C375 CovalentContact SG-SG 2.04Å; C162-C375 PolarHBondContact SG-SG 2.78Å; R164-C375 PolarHBondContact N-O 3.46Å; R371-C375 WeakPolarHBondContact O-CB 3.17Å; R371-C375 PolarHBondContact O-N 3.04Å; R371-C375 PolarHBondContact O-SG 3.31Å; K373-C375 PolarHBondContact O-N 2.98Å; C375-V377 PolarHBondContact O-N 2.99Å
376	Q	94.9	Very high	82.3	Confident	142 Å²	142	92.5 Å²	92.5	66%	0.664	46%	0.463	S	S	*	.			trans	-68.7	130	179.9	-65.7	175.2	16.6	0	0	110.7	D372 K373 E374	D372-Q376 WeakPolarHBondContact O-CG 3.33Å; K373-Q376 WeakPolarHBondContact O-CB 3.34Å; K373-Q376 PolarHBondContact O-N 2.93Å; K373-Q376 VanDerWaalsContact O-N 3.16Å; E374-Q376 VanDerWaalsContact C-N 3.33Å
377	V	88.5	Confident	81.3	Confident	46 Å²	46	96 Å²	96	28%	0.279	48%	0.482	S	S	.	.			trans	-110.2	139.5	173.9	-65.1	0	0	0	0	109.1	P163 R164 Q167 C375 S379	P163-V377 HydrophobicContact CB-CG1 4.1Å; P163-V377 HydrophobicContact CB-CG2 3.81Å; R164-V377 HydrophobicContact CB-CG1 3.94Å; Q167-V377 VanDerWaalsContact CD-CG1 3.46Å; Q167-V377 HydrophobicContact CG-CG1 4.32Å; C375-V377 PolarHBondContact O-N 2.99Å; V377-S379 PolarHBondContact O-N 2.92Å
378	P	76.9	Confident	80.5	Confident	117 Å²	117	99 Å²	99	76%	0.76	50%	0.498	S	S	*	.			trans	-56	129.7	174.8	-22.6	31.9	0	0	0	110.1	K380	P378-K380 PolarHBondContact O-N 3.36Å; P378-K380 VanDerWaalsContact O-N 3.11Å
379	S	61.4	Low	80	Confident	71 Å²	71	99.8 Å²	99.8	50%	0.497	51%	0.508	S	S	.	.			trans	-62.5	119.5	178.5	83.2	0	0	0	0	108.9	V377 G381 D383	V377-S379 PolarHBondContact O-N 2.92Å; S379-G381 PolarHBondContact O-N 2.9Å; S379-D383 WeakPolarHBondContact CB-OD2 3.23Å; S379-D383 PolarHBondContact OG-OD2 2.63Å
380	K	57.2	Low	79.6	Confident	198 Å²	198	100 Å²	100	86%	0.861	51%	0.509	S	S	*	.			trans	-70.1	93.1	174.3	-84	-173.5	177.5	178.1	0	108.6	P378 R382	P378-K380 PolarHBondContact O-N 3.36Å; P378-K380 VanDerWaalsContact O-N 3.11Å; K380-R382 PolarHBondContact O-N 3.13Å
381	G	55.1	Low	79.3	Confident	47 Å²	47	98.9 Å²	98.9	49%	0.485	51%	0.51	S	S	.	.	S	Bend	trans	57.9	-8	156.2	0	0	0	0	0	119.2	S379 D383 R384 Q385	S379-G381 PolarHBondContact O-N 2.9Å; G381-D383 VanDerWaalsContact C-N 3.34Å; G381-R384 PolarHBondContact O-N 2.6Å; G381-Q385 PolarHBondContact O-N 3.02Å
382	R	54.9	Low	79.1	Confident	198 Å²	198	102.7 Å²	102.7	75%	0.747	53%	0.532	S	S	*	.	H	α-helix	trans	-69.9	-36.3	-177.3	-156.8	167.5	-172.6	145.6	0	110.1	K380 R384 Q385 V386	K380-R382 PolarHBondContact O-N 3.13Å; R382-R384 VanDerWaalsContact C-N 3.32Å; R382-R384 PolarHBondContact O-N 3.36Å; R382-Q385 PolarHBondContact O-N 3.49Å; R382-V386 WeakPolarHBondContact O-CB 3.23Å; R382-V386 WeakPolarHBondContact O-CG2 3.41Å; R382-V386 PolarHBondContact O-N 3.48Å
383	D	59.7	Low	78.9	Confident	89 Å²	89	101.1 Å²	101.1	48%	0.476	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-40.2	173.1	-65.4	-22.9	0	0	0	111.3	S379 G381 Q385 V386 I387	S379-D383 WeakPolarHBondContact CB-OD2 3.23Å; S379-D383 PolarHBondContact OG-OD2 2.63Å; G381-D383 VanDerWaalsContact C-N 3.34Å; D383-Q385 PolarHBondContact O-N 3.24Å; D383-V386 PolarHBondContact O-N 3.05Å; D383-I387 HydrophobicContact CB-CD1 4.23Å; D383-I387 WeakPolarHBondContact O-CB 3.22Å; D383-I387 VanDerWaalsContact O-CD1 3.28Å; D383-I387 WeakPolarHBondContact O-CD1 3.46Å; D383-I387 WeakPolarHBondContact O-CG1 2.89Å; D383-I387 PolarHBondContact O-N 3.02Å
384	R	66.7	Low	78.6	Confident	192 Å²	192	96 Å²	96	73%	0.725	52%	0.517	S	S	*	.	H	α-helix	trans	-65.9	-42.2	179.1	-173.5	174.1	162.5	-169.8	-5.2	112	G381 R382 I388	G381-R384 PolarHBondContact O-N 2.6Å; R382-R384 VanDerWaalsContact C-N 3.32Å; R382-R384 PolarHBondContact O-N 3.36Å; R384-I388 HydrophobicContact CG-CD1 3.85Å; R384-I388 WeakPolarHBondContact O-CB 3.48Å; R384-I388 WeakPolarHBondContact O-CD1 3.35Å; R384-I388 WeakPolarHBondContact O-CG1 3.34Å; R384-I388 PolarHBondContact O-N 3.41Å
385	Q	71.8	Confident	78.4	Confident	155 Å²	155	97.5 Å²	97.5	72%	0.724	53%	0.532	S	S	*	.	H	α-helix	trans	-70	-38.7	176.8	-71.8	-172.7	-11.7	0	0	112.5	G381 R382 D383 G389	G381-Q385 PolarHBondContact O-N 3.02Å; R382-Q385 PolarHBondContact O-N 3.49Å; D383-Q385 PolarHBondContact O-N 3.24Å; Q385-G389 PolarHBondContact O-N 2.86Å
386	V	74.4	Confident	78.3	Confident	78 Å²	78	103 Å²	103	47%	0.473	56%	0.56	S	S	.	*	H	α-helix	trans	-67.8	-43.4	176.2	172.2	0	0	0	0	110.9	R382 D383 G389 L390	R382-V386 WeakPolarHBondContact O-CB 3.23Å; R382-V386 WeakPolarHBondContact O-CG2 3.41Å; R382-V386 PolarHBondContact O-N 3.48Å; D383-V386 PolarHBondContact O-N 3.05Å; V386-G389 PolarHBondContact O-N 3.37Å; V386-L390 HydrophobicContact CG1-CD1 3.93Å; V386-L390 HydrophobicContact CG1-CG 4.35Å; V386-L390 WeakPolarHBondContact O-CB 3.29Å; V386-L390 VanDerWaalsContact O-CG 3.3Å; V386-L390 WeakPolarHBondContact O-CG 3.49Å; V386-L390 PolarHBondContact O-N 2.97Å
387	I	78	Confident	78.2	Confident	110 Å²	110	101.4 Å²	101.4	56%	0.564	56%	0.556	S	S	*	*	H	α-helix	trans	-62.8	-45.2	175.9	-69.5	164.3	0	0	0	110.5	D383 G389 L390 A391	D383-I387 HydrophobicContact CB-CD1 4.23Å; D383-I387 WeakPolarHBondContact O-CB 3.22Å; D383-I387 VanDerWaalsContact O-CD1 3.28Å; D383-I387 WeakPolarHBondContact O-CD1 3.46Å; D383-I387 WeakPolarHBondContact O-CG1 2.89Å; D383-I387 PolarHBondContact O-N 3.02Å; I387-G389 VanDerWaalsContact C-N 3.34Å; I387-L390 PolarHBondContact O-N 3.5Å; I387-A391 VanDerWaalsContact O-CB 3.28Å; I387-A391 WeakPolarHBondContact O-CB 3.47Å; I387-A391 PolarHBondContact O-N 3.33Å
388	I	82.6	Confident	78.4	Confident	81 Å²	81	104.9 Å²	104.9	42%	0.415	57%	0.572	S	S	.	*	H	α-helix	trans	-62.3	-43.6	174.9	-70	166.5	0	0	0	110.4	R384 A391 L392	R384-I388 HydrophobicContact CG-CD1 3.85Å; R384-I388 WeakPolarHBondContact O-CB 3.48Å; R384-I388 WeakPolarHBondContact O-CD1 3.35Å; R384-I388 WeakPolarHBondContact O-CG1 3.34Å; R384-I388 PolarHBondContact O-N 3.41Å; I388-A391 PolarHBondContact O-N 3.01Å; I388-L392 HydrophobicContact CG2-CD1 3.8Å; I388-L392 HydrophobicContact CG2-CG 4.28Å; I388-L392 WeakPolarHBondContact O-CB 3.45Å; I388-L392 VanDerWaalsContact O-CG 3.28Å; I388-L392 WeakPolarHBondContact O-CG 3.29Å; I388-L392 PolarHBondContact O-N 2.98Å
389	G	85.4	Confident	79.1	Confident	32 Å²	32	101.9 Å²	101.9	33%	0.33	56%	0.558	S	S	.	*	H	α-helix	trans	-61.2	-45.4	177.7	0	0	0	0	0	112.6	Q385 V386 I387 L392 S393	Q385-G389 PolarHBondContact O-N 2.86Å; V386-G389 PolarHBondContact O-N 3.37Å; I387-G389 VanDerWaalsContact C-N 3.34Å; G389-L392 PolarHBondContact O-N 3.48Å; G389-S393 WeakPolarHBondContact O-CB 3.43Å; G389-S393 PolarHBondContact O-N 3.31Å; G389-S393 PolarHBondContact O-OG 2.86Å
390	L	87.8	Confident	80.6	Confident	121 Å²	121	103.5 Å²	103.5	63%	0.634	56%	0.56	S	S	*	*	H	α-helix	trans	-65.6	-41.4	177.1	-72.9	172.3	0	0	0	111.8	V386 I387 S393 G394	V386-L390 HydrophobicContact CG1-CD1 3.93Å; V386-L390 HydrophobicContact CG1-CG 4.35Å; V386-L390 WeakPolarHBondContact O-CB 3.29Å; V386-L390 VanDerWaalsContact O-CG 3.3Å; V386-L390 WeakPolarHBondContact O-CG 3.49Å; V386-L390 PolarHBondContact O-N 2.97Å; I387-L390 PolarHBondContact O-N 3.5Å; L390-S393 PolarHBondContact O-N 3.34Å; L390-G394 PolarHBondContact O-N 3.37Å
391	A	89.7	Confident	82.3	Confident	56 Å²	56	98.1 Å²	98.1	46%	0.463	54%	0.54	S	S	.	.	H	α-helix	trans	-63.4	-46.5	176.5	0	0	0	0	0	111.9	I387 I388 S393 G394 C395	I387-A391 VanDerWaalsContact O-CB 3.28Å; I387-A391 WeakPolarHBondContact O-CB 3.47Å; I387-A391 PolarHBondContact O-N 3.33Å; I388-A391 PolarHBondContact O-N 3.01Å; A391-S393 VanDerWaalsContact C-N 3.33Å; A391-S393 PolarHBondContact O-N 2.93Å; A391-G394 PolarHBondContact O-N 2.94Å; A391-C395 PolarHBondContact O-N 3.28Å; A391-C395 PolarHBondContact O-SG 2.93Å
392	L	91.5	Very high	84	Confident	114 Å²	114	98.8 Å²	98.8	60%	0.597	54%	0.541	S	S	*	.	H	α-helix	trans	-62.4	-41.4	176.8	-72.1	173.2	0	0	0	111.7	I388 G389 C395 L396	I388-L392 HydrophobicContact CG2-CD1 3.8Å; I388-L392 HydrophobicContact CG2-CG 4.28Å; I388-L392 WeakPolarHBondContact O-CB 3.45Å; I388-L392 VanDerWaalsContact O-CG 3.28Å; I388-L392 WeakPolarHBondContact O-CG 3.29Å; I388-L392 PolarHBondContact O-N 2.98Å; G389-L392 PolarHBondContact O-N 3.48Å; L392-C395 PolarHBondContact O-N 2.96Å; L392-L396 WeakPolarHBondContact O-CB 3.31Å; L392-L396 PolarHBondContact O-N 3.15Å
393	S	89.5	Confident	85.7	Confident	78 Å²	78	94 Å²	94	55%	0.545	53%	0.533	S	S	.	.	H	α-helix	trans	-65.3	-41.8	177.5	-56.7	0	0	0	0	111.6	G389 L390 A391 L396 L397	G389-S393 WeakPolarHBondContact O-CB 3.43Å; G389-S393 PolarHBondContact O-N 3.31Å; G389-S393 PolarHBondContact O-OG 2.86Å; L390-S393 PolarHBondContact O-N 3.34Å; A391-S393 VanDerWaalsContact C-N 3.33Å; A391-S393 PolarHBondContact O-N 2.93Å; S393-L396 PolarHBondContact O-N 3.02Å; S393-L397 PolarHBondContact O-N 3.37Å
394	G	92.2	Very high	87.2	Confident	32 Å²	32	95.1 Å²	95.1	33%	0.33	54%	0.539	S	S	.	.	H	α-helix	trans	-63	-44.3	174.4	0	0	0	0	0	112.8	L390 A391 L396 L397 L398	L390-G394 PolarHBondContact O-N 3.37Å; A391-G394 PolarHBondContact O-N 2.94Å; G394-L396 VanDerWaalsContact C-N 3.34Å; G394-L396 PolarHBondContact O-N 2.75Å; G394-L397 PolarHBondContact O-N 3.3Å; G394-L398 WeakPolarHBondContact O-CG 3.37Å; G394-L398 PolarHBondContact O-N 2.91Å
395	C	92.2	Very high	88.3	Confident	84 Å²	84	90.7 Å²	90.7	57%	0.568	53%	0.529	S	S	*	.	H	α-helix	trans	-62	-40.5	175.1	-70.9	0	0	0	0	112.2	A391 L392 L398 A399	A391-C395 PolarHBondContact O-N 3.28Å; A391-C395 PolarHBondContact O-SG 2.93Å; L392-C395 PolarHBondContact O-N 2.96Å; C395-L398 PolarHBondContact O-N 2.91Å; C395-A399 WeakPolarHBondContact O-CB 3.48Å; C395-A399 PolarHBondContact O-N 3.37Å
396	L	93.6	Very high	89.1	Confident	121 Å²	121	85 Å²	85	63%	0.634	51%	0.511	S	S	*	.	H	α-helix	trans	-63.8	-43.1	177.4	-146	98.1	0	0	0	111.3	L392 S393 G394 A399 L400	L392-L396 WeakPolarHBondContact O-CB 3.31Å; L392-L396 PolarHBondContact O-N 3.15Å; S393-L396 PolarHBondContact O-N 3.02Å; G394-L396 VanDerWaalsContact C-N 3.34Å; G394-L396 PolarHBondContact O-N 2.75Å; L396-A399 PolarHBondContact O-N 3.05Å; L396-L400 WeakPolarHBondContact O-CG 3.39Å; L396-L400 PolarHBondContact O-N 2.86Å
397	L	93.4	Very high	89.7	Confident	109 Å²	109	85.5 Å²	85.5	57%	0.571	52%	0.515	S	S	*	.	H	α-helix	trans	-62.3	-44.6	177.5	-162	85.2	0	0	0	111.4	S393 G394 A399 L400 I401	S393-L397 PolarHBondContact O-N 3.37Å; G394-L397 PolarHBondContact O-N 3.3Å; L397-A399 PolarHBondContact O-N 2.91Å; L397-L400 PolarHBondContact O-N 3.25Å; L397-I401 HydrophobicContact CD2-CD1 4.41Å; L397-I401 HydrophobicContact CG-CD1 4.3Å; L397-I401 VanDerWaalsContact O-CG1 3.29Å; L397-I401 WeakPolarHBondContact O-CG1 3.43Å; L397-I401 PolarHBondContact O-N 3.42Å
398	L	92.8	Very high	90.1	Very high	119 Å²	119	84.6 Å²	84.6	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-63.2	-40.9	176.9	-73.9	169.6	0	0	0	112.2	G394 C395 I401 A402	G394-L398 WeakPolarHBondContact O-CG 3.37Å; G394-L398 PolarHBondContact O-N 2.91Å; C395-L398 PolarHBondContact O-N 2.91Å; L398-I401 PolarHBondContact O-N 3.05Å; L398-A402 WeakPolarHBondContact O-CB 3.37Å; L398-A402 PolarHBondContact O-N 3.38Å
399	A	91.5	Very high	90	Very high	55 Å²	55	84.5 Å²	84.5	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-63.3	-43	175.6	0	0	0	0	0	111.6	C395 L396 L397 A402 V403	C395-A399 WeakPolarHBondContact O-CB 3.48Å; C395-A399 PolarHBondContact O-N 3.37Å; L396-A399 PolarHBondContact O-N 3.05Å; L397-A399 PolarHBondContact O-N 2.91Å; A399-A402 PolarHBondContact O-N 3.31Å; A399-V403 WeakPolarHBondContact O-CG2 3.39Å; A399-V403 PolarHBondContact O-N 3.47Å
400	L	92.4	Very high	89.6	Confident	105 Å²	105	92.2 Å²	92.2	55%	0.55	54%	0.535	S	S	.	.	H	α-helix	trans	-62	-43.9	175.6	-72.7	170.2	0	0	0	111.7	L396 L397 A402 V403 L404	L396-L400 WeakPolarHBondContact O-CG 3.39Å; L396-L400 PolarHBondContact O-N 2.86Å; L397-L400 PolarHBondContact O-N 3.25Å; L400-A402 VanDerWaalsContact C-N 3.34Å; L400-A402 PolarHBondContact O-N 3.17Å; L400-V403 PolarHBondContact O-N 2.87Å; L400-L404 WeakPolarHBondContact O-CB 3.27Å; L400-L404 PolarHBondContact O-N 2.91Å
401	I	93.1	Very high	88.9	Confident	84 Å²	84	92 Å²	92	43%	0.431	53%	0.53	S	S	.	.	H	α-helix	trans	-60.6	-44.4	175.4	-69	165.4	0	0	0	110.7	L397 L398 V403 L404 L405	L397-I401 HydrophobicContact CD2-CD1 4.41Å; L397-I401 HydrophobicContact CG-CD1 4.3Å; L397-I401 VanDerWaalsContact O-CG1 3.29Å; L397-I401 WeakPolarHBondContact O-CG1 3.43Å; L397-I401 PolarHBondContact O-N 3.42Å; L398-I401 PolarHBondContact O-N 3.05Å; I401-V403 PolarHBondContact O-N 3.47Å; I401-L404 PolarHBondContact O-N 3.31Å; I401-L405 HydrophobicContact CG2-CD1 3.9Å; I401-L405 HydrophobicContact CG2-CG 4.34Å; I401-L405 WeakPolarHBondContact O-CB 3.39Å; I401-L405 VanDerWaalsContact O-CG 3.32Å; I401-L405 WeakPolarHBondContact O-CG 3.32Å; I401-L405 PolarHBondContact O-N 2.85Å
402	A	91	Very high	87.9	Confident	61 Å²	61	96.6 Å²	96.6	50%	0.504	54%	0.54	S	S	.	.	H	α-helix	trans	-63	-40.7	178	0	0	0	0	0	112.4	L398 A399 L400 G406	L398-A402 WeakPolarHBondContact O-CB 3.37Å; L398-A402 PolarHBondContact O-N 3.38Å; A399-A402 PolarHBondContact O-N 3.31Å; L400-A402 VanDerWaalsContact C-N 3.34Å; L400-A402 PolarHBondContact O-N 3.17Å; A402-G406 PolarHBondContact O-N 3.38Å
403	V	91	Very high	86.4	Confident	98 Å²	98	98 Å²	98	59%	0.594	54%	0.543	S	S	*	.	H	α-helix	trans	-63	-44.9	173.9	170.7	0	0	0	0	110.7	A399 L400 I401 G406 V407	A399-V403 WeakPolarHBondContact O-CG2 3.39Å; A399-V403 PolarHBondContact O-N 3.47Å; L400-V403 PolarHBondContact O-N 2.87Å; I401-V403 PolarHBondContact O-N 3.47Å; V403-G406 PolarHBondContact O-N 3.1Å; V403-V407 HydrophobicContact CG1-CG2 4.47Å; V403-V407 WeakPolarHBondContact O-CG2 3.44Å; V403-V407 PolarHBondContact O-N 3Å
404	L	90.9	Very high	84.7	Confident	112 Å²	112	97.7 Å²	97.7	59%	0.586	54%	0.541	S	S	*	.	H	α-helix	trans	-63.6	-43.8	-179.6	-136	144.4	0	0	0	111.3	L400 I401 V407 I408	L400-L404 WeakPolarHBondContact O-CB 3.27Å; L400-L404 PolarHBondContact O-N 2.91Å; I401-L404 PolarHBondContact O-N 3.31Å; L404-V407 PolarHBondContact O-N 3.45Å; L404-I408 HydrophobicContact CD2-CD1 3.81Å; L404-I408 HydrophobicContact CD2-CG1 4.46Å; L404-I408 VanDerWaalsContact O-CG1 3.27Å; L404-I408 WeakPolarHBondContact O-CG1 3.37Å; L404-I408 PolarHBondContact O-N 3.22Å
405	L	90	Very high	83	Confident	100 Å²	100	101.1 Å²	101.1	52%	0.524	55%	0.552	S	S	.	*	H	α-helix	trans	-61.9	-42.2	172.2	-71.7	172.3	0	0	0	111.6	I401 V407 I408 C409	I401-L405 HydrophobicContact CG2-CD1 3.9Å; I401-L405 HydrophobicContact CG2-CG 4.34Å; I401-L405 WeakPolarHBondContact O-CB 3.39Å; I401-L405 VanDerWaalsContact O-CG 3.32Å; I401-L405 WeakPolarHBondContact O-CG 3.32Å; I401-L405 PolarHBondContact O-N 2.85Å; L405-V407 PolarHBondContact O-N 3.29Å; L405-I408 PolarHBondContact O-N 3.25Å; L405-C409 WeakPolarHBondContact O-CB 3.37Å; L405-C409 PolarHBondContact O-N 3.23Å; L405-C409 PolarHBondContact O-SG 3.15Å; L405-C409 VanDerWaalsContact O-SG 3.32Å
406	G	88.2	Confident	81.2	Confident	34 Å²	34	102.6 Å²	102.6	35%	0.351	56%	0.558	S	S	.	*	H	α-helix	trans	-60.4	-42.3	174.7	0	0	0	0	0	112.9	A402 V403 C409 R410	A402-G406 PolarHBondContact O-N 3.38Å; V403-G406 PolarHBondContact O-N 3.1Å; G406-C409 PolarHBondContact O-N 3.32Å; G406-R410 WeakPolarHBondContact O-CG 3.35Å; G406-R410 PolarHBondContact O-N 2.84Å
407	V	87.1	Confident	79.1	Confident	89 Å²	89	103.9 Å²	103.9	54%	0.539	57%	0.566	S	S	.	*	H	α-helix	trans	-64.6	-45.3	174.8	172.1	0	0	0	0	110.8	V403 L404 L405 C409 R410 H411	V403-V407 HydrophobicContact CG1-CG2 4.47Å; V403-V407 WeakPolarHBondContact O-CG2 3.44Å; V403-V407 PolarHBondContact O-N 3Å; L404-V407 PolarHBondContact O-N 3.45Å; L405-V407 PolarHBondContact O-N 3.29Å; V407-C409 PolarHBondContact O-N 2.88Å; V407-R410 PolarHBondContact O-N 3.35Å; V407-H411 WeakPolarHBondContact O-CB 3.4Å; V407-H411 PolarHBondContact O-N 2.86Å
408	I	86.1	Confident	76.9	Confident	92 Å²	92	109 Å²	109	47%	0.472	58%	0.578	S	S	.	*	H	α-helix	trans	-60.7	-44.5	176.9	-69.4	166.3	0	0	0	110.8	L404 L405 H411 K412	L404-I408 HydrophobicContact CD2-CD1 3.81Å; L404-I408 HydrophobicContact CD2-CG1 4.46Å; L404-I408 VanDerWaalsContact O-CG1 3.27Å; L404-I408 WeakPolarHBondContact O-CG1 3.37Å; L404-I408 PolarHBondContact O-N 3.22Å; L405-I408 PolarHBondContact O-N 3.25Å; I408-H411 PolarHBondContact O-N 3.31Å; I408-K412 WeakPolarHBondContact O-CB 3.35Å; I408-K412 PolarHBondContact O-N 3.47Å
409	C	80.6	Confident	74.4	Confident	79 Å²	79	106.9 Å²	106.9	53%	0.534	58%	0.584	S	S	.	*	H	α-helix	trans	-61.3	-45.2	176.9	-74.8	0	0	0	0	111.9	L405 G406 V407 K412 E413	L405-C409 WeakPolarHBondContact O-CB 3.37Å; L405-C409 PolarHBondContact O-N 3.23Å; L405-C409 PolarHBondContact O-SG 3.15Å; L405-C409 VanDerWaalsContact O-SG 3.32Å; G406-C409 PolarHBondContact O-N 3.32Å; V407-C409 PolarHBondContact O-N 2.88Å; C409-K412 PolarHBondContact O-N 3.44Å; C409-E413 PolarHBondContact O-N 3.42Å
410	R	77.1	Confident	71.9	Confident	194 Å²	194	115.3 Å²	115.3	73%	0.732	61%	0.606	S	S	*	*	H	α-helix	trans	-66.7	-37	176.8	-69.8	-178.3	91.2	168.6	7.2	112.6	G406 V407 K412 E413 S414	G406-R410 WeakPolarHBondContact O-CG 3.35Å; G406-R410 PolarHBondContact O-N 2.84Å; V407-R410 PolarHBondContact O-N 3.35Å; R410-K412 VanDerWaalsContact C-N 3.34Å; R410-E413 PolarHBondContact O-N 2.97Å; R410-S414 PolarHBondContact O-N 2.72Å
411	H	72.8	Confident	69.5	Low	115 Å²	115	119.4 Å²	119.4	53%	0.532	62%	0.622	S	S	.	*	H	α-helix	trans	-69.5	-33.9	176.5	-156.4	-77.8	0	0	0	111.7	V407 I408 S414 N415	V407-H411 WeakPolarHBondContact O-CB 3.4Å; V407-H411 PolarHBondContact O-N 2.86Å; I408-H411 PolarHBondContact O-N 3.31Å; H411-S414 PolarHBondContact O-N 3.1Å; H411-N415 WeakPolarHBondContact O-CB 3.47Å; H411-N415 PolarHBondContact O-N 3.01Å
412	K	68	Low	66.8	Low	153 Å²	153	124.1 Å²	124.1	67%	0.665	64%	0.642	S	S	*	*	H	α-helix	trans	-66.5	-44.8	173	-167.4	174.9	179.9	179.8	0	111.3	I408 C409 R410 S414 N415 T416	I408-K412 WeakPolarHBondContact O-CB 3.35Å; I408-K412 PolarHBondContact O-N 3.47Å; C409-K412 PolarHBondContact O-N 3.44Å; R410-K412 VanDerWaalsContact C-N 3.34Å; K412-S414 VanDerWaalsContact C-N 3.32Å; K412-S414 PolarHBondContact O-N 3.29Å; K412-N415 PolarHBondContact O-N 3.31Å; K412-T416 PolarHBondContact O-N 3.41Å; K412-T416 VanDerWaalsContact O-N 3.1Å; K412-T416 PolarHBondContact O-OG1 2.99Å
413	E	60.7	Low	64.6	Low	144 Å²	144	127.5 Å²	127.5	67%	0.673	66%	0.656	S	S	*	*	H	α-helix	trans	-60.1	-40.1	172.6	-78.6	-179.6	160.2	0	0	112.4	C409 R410	C409-E413 PolarHBondContact O-N 3.42Å; R410-E413 PolarHBondContact O-N 2.97Å
414	S	55	Low	62.1	Low	71 Å²	71	129 Å²	129	50%	0.497	67%	0.666	S	S	.	*	H	α-helix	trans	-67.4	-35.7	176.7	-172.6	0	0	0	0	113.6	R410 H411 K412 N417	R410-S414 PolarHBondContact O-N 2.72Å; H411-S414 PolarHBondContact O-N 3.1Å; K412-S414 VanDerWaalsContact C-N 3.32Å; K412-S414 PolarHBondContact O-N 3.29Å; S414-N417 PolarHBondContact O-N 3.35Å
415	N	54.7	Low	59.6	Low	104 Å²	104	131.8 Å²	131.8	56%	0.556	68%	0.681	S	S	*	*	H	α-helix	trans	-81.4	-20.2	-179.6	-91.9	-1.1	0	0	0	113.8	H411 K412 N417	H411-N415 WeakPolarHBondContact O-CB 3.47Å; H411-N415 PolarHBondContact O-N 3.01Å; K412-N415 PolarHBondContact O-N 3.31Å; N415-N417 PolarHBondContact O-N 3.49Å
416	T	54.1	Low	57.3	Low	115 Å²	115	136.5 Å²	136.5	71%	0.706	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-13.8	171.6	-20.8	0	0	0	0	112.4	K412	K412-T416 PolarHBondContact O-N 3.41Å; K412-T416 VanDerWaalsContact O-N 3.1Å; K412-T416 PolarHBondContact O-OG1 2.99Å
417	N	50.2	Low	55.2	Low	149 Å²	149	143.9 Å²	143.9	80%	0.797	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	4.1	-178.1	-93.8	-8.7	0	0	0	115.2	S414 N415	S414-N417 PolarHBondContact O-N 3.35Å; N415-N417 PolarHBondContact O-N 3.49Å
418	R	48.2	Very low	53	Low	216 Å²	216	144.8 Å²	144.8	82%	0.815	74%	0.743	S	S	*	*	S	Bend	trans	-125.7	113.5	177.3	-97.1	179	163.5	171.7	-4.9	111.3
419	G	40.4	Very low	50.7	Low	74 Å²	74	143.7 Å²	143.7	76%	0.763	76%	0.755	S	S	*	*			trans	-69	158.4	-163.5	0	0	0	0	0	117
420	Y	39.1	Very low	48.9	Very low	233 Å²	233	149 Å²	149	91%	0.914	77%	0.771	S	S	*	*			trans	-69.9	122.8	168.8	-76.2	-96.9	0	0	0	110.6
421	H	41.4	Very low	47.1	Very low	190 Å²	190	147.8 Å²	147.8	88%	0.88	77%	0.774	S	S	*	*			trans	-124.4	124.7	158	-94	-74.9	0	0	0	109.2
422	H	37.1	Very low	45.5	Very low	183 Å²	183	151 Å²	151	85%	0.847	81%	0.809	S	S	*	*			trans	-91.1	132.1	177.7	-125.2	-69.1	0	0	0	109.3
423	V	43.2	Very low	44.4	Very low	133 Å²	133	150.9 Å²	150.9	81%	0.806	82%	0.816	S	S	*	*			trans	-137.4	136.5	161.6	-178.7	0	0	0	0	109.5
424	T	39.8	Very low	43.5	Very low	130 Å²	130	151.2 Å²	151.2	80%	0.798	82%	0.824	S	S	*	*			trans	-77.5	152.7	-173.3	29.3	0	0	0	0	114.9
425	N	37.8	Very low	42.9	Very low	170 Å²	170	155.7 Å²	155.7	91%	0.909	84%	0.842	S	S	*	*			trans	-69.8	149.7	176.1	-75.1	-20.8	0	0	0	113.9
426	Q	41.6	Very low	42.2	Very low	198 Å²	198	158.7 Å²	158.7	93%	0.925	86%	0.859	S	S	*	*			trans	-136.8	140.2	164.1	-154.4	166.6	5.2	0	0	109.3
427	E	44	Very low	41.4	Very low	189 Å²	189	161.4 Å²	161.4	88%	0.883	87%	0.869	S	S	*	*			trans	-83.6	-178.6	-167.1	-66.9	173.3	138.1	0	0	116
428	A	41.3	Very low	40.9	Very low	108 Å²	108	162.3 Å²	162.3	89%	0.893	87%	0.873	S	S	*	*			trans	91.4	138.4	165.7	0	0	0	0	0	115.3
429	G	37.8	Very low	40.3	Very low	70 Å²	70	158.4 Å²	158.4	72%	0.722	88%	0.877	S	S	*	*			cis	-174.1	149.5	4.6	0	0	0	0	0	106.8
430	E	42.8	Very low	40.3	Very low	189 Å²	189	164.9 Å²	164.9	88%	0.883	89%	0.886	S	S	*	*				37.5	128.6	109.1	-75.3	177.7	171.8	0	0	114.1
431	E	38.5	Very low	40.4	Very low	169 Å²	169	159.3 Å²	159.3	79%	0.79	88%	0.884	S	S	*	*			cis	-176.5	162.3	47	-130.7	176.9	-171.4	0	0	108.5
432	S	40.1	Very low	40.3	Very low	182 Å²	182	156.5 Å²	156.5	100%	1.273	88%	0.884	S	S	*	*			trans	40.5	0	154.1	-8.6	0	0	0	0	122.8

Retrieved 432 of 432 residues in 901.7 ms (Link to these results)

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